#------------------------------------------------------------------------------ #$Date: 2009-05-03 21:56:13 +0300 (Sun, 03 May 2009) $ #$Revision: 691 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2103563.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2103563_Fobs loop_ _publ_author_name 'In, Yasuko' 'Fujii, Mayumi' 'Sasada, Yasuhiro' 'Ishida, Toshimasa' _publ_section_title ; Structural studies on C-amidated amino acids and peptides: structures of hydrochloride salts of C-amidated Ile, Val, Thr, Ser, Met, Trp, Gln and Arg, and comparison with their C-unamidated counterparts ; _journal_issue 1 _journal_name_full 'Acta Crystallographica Section B' _journal_page_first 72 _journal_page_last 81 _journal_volume 57 _journal_year 2001 _space_group_IT_number 4 _symmetry_space_group_name_Hall 'P 2yb' _symmetry_space_group_name_H-M 'P 1 21 1' _cell_angle_alpha 90.000 _cell_angle_beta 91.730 _cell_angle_gamma 90.000 _cell_length_a 5.3377 _cell_length_b 7.4572 _cell_length_c 9.8990 _exptl_crystal_F_000 164.00 _reflns_d_resolution_high 0.8505 _[local]_cod_data_source_file oa0030valNH2sup3.hkl _[local]_cod_data_source_block valNH2 #BEGIN Tags that were not found in dictionaries: _shelx_title ' H-VAL-NH2 C5H13N2OCL P21 Z=2' _shelx_refln_list_code 4 _shelx_F_calc_maximum 57.81 _shelx_F_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 0 -8 0 74.38 73.06 1.01 o 1 -8 0 12.10 10.62 0.71 o 2 -8 0 35.54 36.22 5.00 o 1 -7 0 2.29 2.33 0.21 o 2 -7 0 142.13 133.89 25.21 o 3 -7 0 20.63 21.63 3.34 o 0 -6 0 46.45 45.22 0.83 o 1 -6 0 35.04 28.51 4.02 o 2 -6 0 2.26 2.09 0.32 o 3 -6 0 74.75 71.44 11.84 o 4 -6 0 9.15 7.31 1.30 o 1 -5 0 96.61 91.04 20.53 o 2 -5 0 77.42 71.21 11.78 o 3 -5 0 26.39 25.70 3.25 o 4 -5 0 9.60 8.27 1.42 o 5 -5 0 0.46 0.47 0.11 o 0 -4 0 1318.92 1167.04 4.48 o 1 -4 0 58.46 64.34 15.58 o 2 -4 0 106.58 116.71 18.33 o 3 -4 0 28.64 28.13 3.99 o 4 -4 0 5.95 6.46 1.05 o 5 -4 0 27.93 29.81 5.69 o 1 -3 0 70.30 59.11 13.04 o 2 -3 0 574.93 693.40 122.81 o 3 -3 0 27.56 29.99 4.56 o 4 -3 0 46.19 47.95 9.15 o 5 -3 0 51.84 52.69 8.15 o 0 -2 0 752.44 610.47 4.17 o 1 -2 0 445.83 400.80 121.58 o 2 -2 0 65.19 78.66 10.13 o 3 -2 0 366.00 456.17 72.29 o 4 -2 0 47.79 53.52 8.53 o 5 -2 0 168.91 172.58 28.38 o 6 -2 0 20.43 19.63 3.08 o 1 -1 0 2255.49 2303.83 510.51 o 2 -1 0 1043.72 1239.66 192.33 o 3 -1 0 52.04 59.25 8.52 o 4 -1 0 225.29 247.83 36.19 o 5 -1 0 14.92 14.83 2.22 o 6 -1 0 24.15 23.47 3.57 o 1 0 0 14.98 17.64 1.35 o 2 0 0 463.85 521.35 97.14 o 3 0 0 131.47 132.18 20.96 o 4 0 0 83.51 96.13 14.15 o 5 0 0 257.12 267.28 47.89 o 6 0 0 9.32 8.03 0.95 o -2 -8 1 25.87 26.63 3.72 o -1 -8 1 23.55 23.98 1.47 o 0 -8 1 13.25 12.78 0.76 o 1 -8 1 21.91 20.54 1.90 o 2 -8 1 32.21 30.00 3.99 o -3 -7 1 29.13 33.15 4.70 o -2 -7 1 9.45 9.89 1.13 o -1 -7 1 3.05 2.97 0.79 o 0 -7 1 133.48 129.53 6.34 o 1 -7 1 4.07 3.16 0.43 o 2 -7 1 86.51 86.15 15.76 o 3 -7 1 34.36 32.46 5.87 o -4 -6 1 25.00 27.27 4.29 o -3 -6 1 26.07 26.58 3.64 o -2 -6 1 20.44 23.67 3.05 o -1 -6 1 215.99 191.90 28.57 o 0 -6 1 0.69 0.52 0.07 o 1 -6 1 336.45 317.25 78.04 o 2 -6 1 1.02 1.07 0.21 o 3 -6 1 41.09 41.75 8.78 o 4 -6 1 64.45 69.92 13.12 o -5 -5 1 14.96 15.85 2.17 o -4 -5 1 62.65 55.76 8.18 o -3 -5 1 419.88 481.86 63.98 o -2 -5 1 32.52 27.64 2.67 o -1 -5 1 148.72 142.51 26.31 o 0 -5 1 146.44 132.82 11.24 o 1 -5 1 65.19 60.50 13.97 o 2 -5 1 244.51 241.24 67.31 o 3 -5 1 42.38 45.20 8.79 o 4 -5 1 46.26 46.27 7.95 o 5 -5 1 49.34 52.06 9.31 o -5 -4 1 81.33 79.44 11.59 o -4 -4 1 160.09 178.11 25.66 o -3 -4 1 47.67 45.66 6.04 o -2 -4 1 524.75 587.78 58.43 o -1 -4 1 205.71 186.03 38.51 o 0 -4 1 319.75 312.64 45.32 o 1 -4 1 95.85 74.61 22.76 o 2 -4 1 0.67 0.62 0.06 o 3 -4 1 36.12 39.65 8.71 o 4 -4 1 204.89 223.35 45.89 o 5 -4 1 1.37 1.48 0.10 o -5 -3 1 3.80 5.40 0.57 o -4 -3 1 62.89 66.16 9.29 o -3 -3 1 344.92 411.27 46.23 o -2 -3 1 75.30 92.97 7.69 o -1 -3 1 340.70 310.08 42.56 o 0 -3 1 182.12 174.19 37.64 o 1 -3 1 22.52 26.91 8.41 o 2 -3 1 587.19 652.32 199.39 o 3 -3 1 95.65 104.67 20.76 o 4 -3 1 89.72 100.75 19.08 o 5 -3 1 49.56 51.64 8.50 o -6 -2 1 3.26 3.02 0.38 o -5 -2 1 225.37 245.65 35.06 o -4 -2 1 0.76 0.82 0.14 o -3 -2 1 56.68 69.55 10.03 o -2 -2 1 19.16 30.51 2.22 o -1 -2 1 2268.92 2400.29 14.15 o 0 -2 1 164.94 149.06 45.23 o 1 -2 1 572.86 537.84 237.86 o 2 -2 1 86.56 108.70 20.54 o 3 -2 1 118.73 141.85 24.71 o 4 -2 1 244.65 259.37 48.15 o 5 -2 1 22.52 22.87 3.08 o 6 -2 1 16.76 16.54 2.39 o -6 -1 1 37.03 36.27 4.51 o -5 -1 1 9.30 8.97 1.57 o -4 -1 1 16.88 17.81 2.67 o -3 -1 1 545.52 632.44 66.73 o -2 -1 1 117.06 137.10 10.56 o -1 -1 1 438.48 548.14 7.00 o 0 -1 1 378.32 271.36 177.82 o 1 -1 1 101.85 110.70 32.26 o 2 -1 1 415.47 440.14 100.54 o 3 -1 1 235.96 261.06 47.24 o 4 -1 1 153.03 164.39 26.28 o 5 -1 1 16.43 15.67 2.58 o 6 -1 1 21.76 19.95 2.81 o -6 0 1 0.13 0.01 0.14 o -5 0 1 93.17 96.48 12.90 o -4 0 1 53.15 56.09 8.43 o -3 0 1 1.03 1.15 0.07 o -2 0 1 1173.80 1390.31 240.79 o -1 0 1 37.78 14.38 13.28 o 0 0 1 623.28 422.45 27.97 o 1 0 1 738.79 778.30 146.87 o 2 0 1 114.94 124.94 19.71 o 3 0 1 32.38 23.04 3.72 o 4 0 1 67.59 68.05 10.71 o 5 0 1 3.56 4.23 0.27 o 6 0 1 7.32 7.29 0.65 o -2 -8 2 20.78 18.36 1.89 o -1 -8 2 53.26 50.19 2.21 o 0 -8 2 9.28 8.60 0.38 o 1 -8 2 28.79 27.44 2.10 o 2 -8 2 52.57 52.79 5.60 o -3 -7 2 26.04 25.88 3.70 o -2 -7 2 130.55 127.42 11.67 o -1 -7 2 24.97 25.99 0.79 o 0 -7 2 151.29 148.65 10.58 o 1 -7 2 30.99 31.57 4.24 o 2 -7 2 18.05 18.97 2.76 o 3 -7 2 68.81 72.56 12.53 o -4 -6 2 32.30 34.97 5.05 o -3 -6 2 28.14 26.23 2.52 o -2 -6 2 3.70 3.25 0.46 o -1 -6 2 385.11 332.08 30.24 o 0 -6 2 5.88 5.68 1.19 o 1 -6 2 248.17 244.21 55.77 o 2 -6 2 28.06 28.14 5.41 o 3 -6 2 23.33 22.56 4.51 o 4 -6 2 51.06 50.97 10.34 o -5 -5 2 47.93 51.98 8.24 o -4 -5 2 30.86 33.33 4.46 o -3 -5 2 63.30 65.61 5.16 o -2 -5 2 39.64 38.90 2.28 o -1 -5 2 42.84 39.91 2.70 o 0 -5 2 93.09 75.52 12.04 o 1 -5 2 136.26 129.02 37.06 o 2 -5 2 78.41 71.77 20.66 o 3 -5 2 130.81 135.23 34.87 o 4 -5 2 57.00 55.27 10.88 o 5 -5 2 10.17 10.75 1.79 o -5 -4 2 0.63 0.84 0.22 o -4 -4 2 116.53 124.81 15.85 o -3 -4 2 19.92 19.51 1.54 o -2 -4 2 6.78 9.17 0.72 o -1 -4 2 39.46 29.41 3.10 o 0 -4 2 58.84 62.48 12.19 o 1 -4 2 112.86 101.13 34.49 o 2 -4 2 96.64 106.74 32.02 o 3 -4 2 43.27 44.62 10.00 o 4 -4 2 48.43 51.61 10.87 o 5 -4 2 18.72 16.35 3.29 o -5 -3 2 5.61 6.35 1.00 o -4 -3 2 126.06 133.26 14.52 o -3 -3 2 41.83 46.53 4.79 o -2 -3 2 223.20 256.62 6.03 o -1 -3 2 394.62 457.17 37.73 o 0 -3 2 22.88 22.96 4.73 o 1 -3 2 637.98 612.03 308.93 o 2 -3 2 58.01 58.65 15.01 o 3 -3 2 140.61 157.07 38.00 o 4 -3 2 7.27 7.30 1.88 o 5 -3 2 3.26 2.70 0.33 o -6 -2 2 15.26 15.62 2.40 o -5 -2 2 14.58 14.63 1.98 o -4 -2 2 18.51 21.22 3.69 o -3 -2 2 201.42 227.88 21.61 o -2 -2 2 33.56 37.46 2.05 o -1 -2 2 1272.94 1415.03 170.79 o 0 -2 2 141.72 127.62 46.68 o 1 -2 2 1068.75 1016.66 541.30 o 2 -2 2 222.26 219.85 68.13 o 3 -2 2 130.07 144.33 32.92 o 4 -2 2 22.97 22.22 4.52 o 5 -2 2 89.97 91.06 16.61 o -6 -1 2 18.93 18.84 2.22 o -5 -1 2 28.16 29.09 3.98 o -4 -1 2 181.64 204.81 19.14 o -3 -1 2 191.68 224.22 18.39 o -2 -1 2 295.94 352.33 12.31 o -1 -1 2 173.64 199.69 5.94 o 0 -1 2 453.83 270.96 83.94 o 1 -1 2 2332.90 1905.30 906.08 o 2 -1 2 389.13 411.52 124.15 o 3 -1 2 452.49 469.25 123.81 o 4 -1 2 156.87 158.77 30.95 o 5 -1 2 15.20 15.07 2.19 o 6 -1 2 76.05 70.90 11.33 o -6 0 2 102.83 99.44 13.65 o -5 0 2 0.90 0.91 0.08 o -4 0 2 315.38 353.16 51.23 o -3 0 2 4.03 5.57 0.42 o -2 0 2 8.64 8.53 0.51 o -1 0 2 188.57 229.17 15.93 o 0 0 2 726.19 577.24 35.66 o 1 0 2 201.07 214.37 23.91 o 2 0 2 745.94 816.17 135.37 o 3 0 2 333.13 342.21 67.09 o 4 0 2 70.98 70.86 11.89 o 5 0 2 135.39 136.49 22.84 o 6 0 2 0.04 0.10 0.10 o -2 -8 3 26.00 26.95 2.25 o -1 -8 3 2.74 2.99 0.16 o 0 -8 3 18.58 19.60 1.17 o 1 -8 3 3.63 3.18 0.34 o -3 -7 3 5.31 6.07 0.35 o -2 -7 3 62.08 63.62 2.74 o -1 -7 3 5.62 6.82 0.32 o 0 -7 3 8.63 8.28 0.41 o 1 -7 3 4.68 5.19 0.31 o 2 -7 3 32.62 31.01 4.22 o 3 -7 3 27.70 27.33 4.25 o -4 -6 3 4.20 4.39 0.73 o -3 -6 3 104.38 104.28 7.16 o -2 -6 3 12.78 16.65 0.54 o -1 -6 3 46.41 39.95 0.58 o 0 -6 3 20.72 20.34 1.96 o 1 -6 3 96.97 93.54 17.41 o 2 -6 3 24.23 24.04 3.98 o 3 -6 3 52.69 53.10 10.86 o 4 -6 3 1.90 2.16 0.65 o -4 -5 3 32.27 31.59 3.30 o -3 -5 3 14.56 16.45 2.06 o -2 -5 3 144.73 145.83 1.76 o -1 -5 3 55.49 55.12 0.61 o 0 -5 3 42.95 42.48 6.78 o 1 -5 3 118.20 122.73 31.31 o 2 -5 3 214.03 205.95 61.60 o 3 -5 3 42.29 39.63 10.35 o 4 -5 3 36.20 34.97 8.26 o -5 -4 3 8.85 8.37 1.47 o -4 -4 3 44.66 44.12 4.72 o -3 -4 3 43.96 46.54 4.20 o -2 -4 3 241.38 257.49 7.66 o -1 -4 3 125.20 128.02 1.54 o 0 -4 3 781.30 840.84 310.53 o 1 -4 3 29.74 27.81 6.77 o 2 -4 3 72.33 73.69 22.23 o 3 -4 3 111.13 100.75 27.04 o 4 -4 3 3.04 3.27 0.74 o 5 -4 3 78.70 76.95 15.78 o -5 -3 3 26.18 26.12 4.25 o -4 -3 3 203.07 221.01 21.89 o -3 -3 3 13.39 15.71 1.91 o -2 -3 3 570.32 674.10 20.53 o -1 -3 3 420.44 415.16 46.86 o 0 -3 3 287.39 298.33 100.87 o 1 -3 3 213.95 184.71 67.95 o 2 -3 3 209.20 198.74 74.71 o 3 -3 3 57.35 63.16 13.56 o 4 -3 3 85.07 83.11 19.78 o 5 -3 3 9.48 9.05 2.21 o -5 -2 3 205.31 212.18 23.20 o -4 -2 3 122.44 128.01 13.76 o -3 -2 3 319.80 362.71 23.77 o -2 -2 3 190.13 202.83 0.98 o -1 -2 3 322.54 309.36 11.87 o 0 -2 3 924.90 836.87 235.62 o 1 -2 3 76.27 70.09 21.80 o 2 -2 3 38.33 40.89 10.63 o 3 -2 3 140.67 138.38 38.50 o 4 -2 3 8.57 10.25 1.36 o 5 -2 3 122.71 120.91 25.83 o -6 -1 3 5.37 5.82 0.78 o -5 -1 3 9.11 10.47 0.61 o -4 -1 3 194.18 207.39 20.35 o -3 -1 3 7.50 7.28 0.74 o -2 -1 3 566.30 650.08 18.09 o -1 -1 3 684.11 659.91 7.05 o 0 -1 3 611.54 490.32 45.94 o 1 -1 3 501.85 481.41 149.12 o 2 -1 3 156.90 152.36 37.24 o 3 -1 3 152.46 144.49 36.89 o 4 -1 3 61.08 65.09 11.72 o 5 -1 3 10.96 8.97 1.52 o -6 0 3 23.69 20.49 2.25 o -5 0 3 39.98 42.21 5.02 o -4 0 3 85.55 95.08 10.91 o -3 0 3 21.44 20.07 2.57 o -2 0 3 433.99 480.64 43.12 o -1 0 3 182.30 165.68 8.70 o 0 0 3 3341.89 3067.24 312.54 o 1 0 3 1.37 1.67 0.10 o 2 0 3 149.27 160.52 22.23 o 3 0 3 31.91 25.21 3.39 o 4 0 3 3.32 3.31 0.21 o 5 0 3 223.15 217.25 37.21 o 6 0 3 0.24 0.24 0.22 o -1 -8 4 24.63 26.18 0.53 o 0 -8 4 29.71 29.02 0.63 o 1 -8 4 76.56 72.81 4.47 o -3 -7 4 63.11 68.89 5.96 o -2 -7 4 1.26 1.66 0.18 o -1 -7 4 6.25 7.06 0.43 o 0 -7 4 114.43 111.88 4.29 o 1 -7 4 11.84 11.54 0.32 o 2 -7 4 130.66 131.35 15.12 o 3 -7 4 25.37 22.68 2.62 o -4 -6 4 20.98 24.33 2.27 o -3 -6 4 6.32 6.35 0.69 o -2 -6 4 17.66 22.70 0.53 o -1 -6 4 79.42 77.71 3.12 o 0 -6 4 34.62 34.64 2.27 o 1 -6 4 129.42 132.84 20.84 o 2 -6 4 5.02 5.22 0.26 o 3 -6 4 35.86 37.19 6.34 o -4 -5 4 4.14 3.45 0.40 o -3 -5 4 165.36 183.12 7.26 o -2 -5 4 3.87 3.43 0.24 o -1 -5 4 68.92 70.71 6.39 o 0 -5 4 94.07 89.79 12.71 o 1 -5 4 21.82 20.85 2.43 o 2 -5 4 179.34 176.61 46.88 o 3 -5 4 44.39 41.48 7.42 o 4 -5 4 27.80 28.99 4.56 o -5 -4 4 23.16 25.25 2.69 o -4 -4 4 62.13 60.60 4.71 o -3 -4 4 92.95 92.51 5.14 o -2 -4 4 127.78 128.55 2.00 o -1 -4 4 89.48 87.29 1.91 o 0 -4 4 294.78 301.24 72.82 o 1 -4 4 43.45 38.24 9.64 o 2 -4 4 7.05 7.40 1.92 o 3 -4 4 58.66 56.88 14.26 o 4 -4 4 54.63 56.86 13.52 o 5 -4 4 15.39 14.49 2.72 o -5 -3 4 13.53 12.02 1.51 o -4 -3 4 46.50 45.49 4.66 o -3 -3 4 133.13 137.36 7.05 o -2 -3 4 127.76 131.54 2.79 o -1 -3 4 24.43 21.46 0.32 o 0 -3 4 43.60 36.08 4.71 o 1 -3 4 24.25 23.97 5.15 o 2 -3 4 309.52 290.52 105.46 o 3 -3 4 16.13 17.56 3.70 o 4 -3 4 14.63 16.81 3.96 o 5 -3 4 31.27 30.79 6.41 o -5 -2 4 201.70 213.18 19.33 o -4 -2 4 0.21 0.14 0.19 o -3 -2 4 37.38 42.68 2.95 o -2 -2 4 13.41 13.76 0.46 o -1 -2 4 89.28 81.92 0.57 o 0 -2 4 162.68 138.78 16.86 o 1 -2 4 187.17 178.43 42.26 o 2 -2 4 1.45 2.05 0.50 o 3 -2 4 30.06 32.38 7.48 o 4 -2 4 135.43 128.10 35.12 o 5 -2 4 4.80 4.78 0.95 o -5 -1 4 1.26 1.30 0.10 o -4 -1 4 32.42 33.47 3.10 o -3 -1 4 303.16 325.29 17.65 o -2 -1 4 53.69 53.64 1.93 o -1 -1 4 463.91 422.12 6.24 o 0 -1 4 231.11 212.28 13.44 o 1 -1 4 101.56 104.51 17.01 o 2 -1 4 564.33 586.39 142.79 o 3 -1 4 64.16 67.68 14.10 o 4 -1 4 25.94 26.77 5.19 o 5 -1 4 9.46 8.53 1.21 o -5 0 4 147.23 153.23 16.85 o -4 0 4 22.64 20.98 1.76 o -3 0 4 24.29 28.62 2.89 o -2 0 4 570.24 618.28 50.01 o -1 0 4 85.10 77.45 2.93 o 0 0 4 2275.71 2280.46 234.73 o 1 0 4 1.59 1.46 0.19 o 2 0 4 100.08 98.53 10.91 o 3 0 4 197.51 183.00 27.04 o 4 0 4 126.83 119.95 19.22 o 5 0 4 13.20 10.91 1.46 o -2 -7 5 32.52 30.63 2.04 o -1 -7 5 17.43 18.52 0.37 o 0 -7 5 57.14 54.92 1.20 o 1 -7 5 10.04 9.44 0.44 o 2 -7 5 1.28 1.39 0.09 o -3 -6 5 10.24 9.75 0.82 o -2 -6 5 2.85 2.91 0.39 o -1 -6 5 177.97 171.17 7.45 o 0 -6 5 1.21 1.22 0.10 o 1 -6 5 57.74 60.47 5.06 o 2 -6 5 16.07 15.00 1.00 o 3 -6 5 20.67 19.74 1.33 o -4 -5 5 1.38 1.42 0.16 o -3 -5 5 174.80 173.55 8.75 o -2 -5 5 71.70 67.72 1.04 o -1 -5 5 4.16 4.55 0.25 o 0 -5 5 140.26 133.57 15.34 o 1 -5 5 110.11 113.37 16.21 o 2 -5 5 64.59 59.12 9.79 o 3 -5 5 29.79 29.51 3.97 o 4 -5 5 59.03 51.84 6.65 o -4 -4 5 155.28 164.37 10.99 o -3 -4 5 8.97 9.70 0.54 o -2 -4 5 106.08 101.15 3.61 o -1 -4 5 302.09 282.34 15.99 o 0 -4 5 18.48 20.34 1.95 o 1 -4 5 93.03 85.69 13.59 o 2 -4 5 92.50 92.48 19.49 o 3 -4 5 24.58 23.28 3.86 o 4 -4 5 33.78 33.06 6.05 o -5 -3 5 15.18 15.02 2.39 o -4 -3 5 30.07 31.52 2.44 o -3 -3 5 220.10 220.20 4.32 o -2 -3 5 251.60 247.56 6.32 o -1 -3 5 185.80 179.25 9.55 o 0 -3 5 96.78 99.12 8.09 o 1 -3 5 377.67 389.34 90.24 o 2 -3 5 34.18 32.39 6.48 o 3 -3 5 142.04 136.65 36.32 o 4 -3 5 6.42 4.23 1.19 o 5 -3 5 3.14 3.27 0.57 o -5 -2 5 9.90 9.21 1.23 o -4 -2 5 4.38 4.11 0.57 o -3 -2 5 69.85 73.62 3.42 o -2 -2 5 33.57 35.65 0.60 o -1 -2 5 866.12 862.39 64.73 o 0 -2 5 83.97 79.86 4.70 o 1 -2 5 37.75 35.97 4.24 o 2 -2 5 193.20 182.67 39.86 o 3 -2 5 56.69 49.31 11.17 o 4 -2 5 95.13 80.98 19.54 o 5 -2 5 17.48 16.45 2.56 o -5 -1 5 1.28 1.45 0.09 o -4 -1 5 97.28 93.18 6.39 o -3 -1 5 207.78 213.80 13.07 o -2 -1 5 95.33 94.21 2.16 o -1 -1 5 19.54 19.42 0.29 o 0 -1 5 14.86 10.70 0.25 o 1 -1 5 796.91 809.75 84.19 o 2 -1 5 38.35 37.32 5.04 o 3 -1 5 76.65 70.09 12.93 o 4 -1 5 33.28 28.82 4.36 o 5 -1 5 0.15 0.05 0.15 o -5 0 5 9.13 8.62 1.13 o -4 0 5 93.07 98.26 9.57 o -3 0 5 18.90 15.93 0.94 o -2 0 5 53.69 55.75 2.55 o -1 0 5 108.42 87.55 2.01 o 0 0 5 305.57 300.41 10.99 o 1 0 5 43.00 43.37 1.30 o 2 0 5 39.94 37.07 3.41 o 3 0 5 14.19 14.95 1.56 o 4 0 5 2.76 3.00 0.54 o 5 0 5 41.52 37.35 3.69 o -2 -7 6 42.92 40.45 3.97 o -1 -7 6 21.19 23.09 1.24 o 0 -7 6 6.21 6.32 0.27 o 1 -7 6 32.27 31.61 0.49 o -3 -6 6 35.91 35.17 4.40 o -2 -6 6 48.63 51.68 3.35 o -1 -6 6 22.74 21.40 0.45 o 0 -6 6 29.58 29.68 0.56 o 1 -6 6 41.61 40.90 1.52 o 2 -6 6 17.90 17.72 0.95 o 3 -6 6 27.80 25.55 1.59 o -4 -5 6 15.79 16.17 2.06 o -3 -5 6 25.20 24.06 1.82 o -2 -5 6 31.24 33.14 0.53 o -1 -5 6 13.31 14.78 0.37 o 0 -5 6 7.08 7.49 0.51 o 1 -5 6 21.21 22.16 2.53 o 2 -5 6 66.25 61.99 6.33 o 3 -5 6 16.68 16.98 1.58 o -4 -4 6 8.98 8.37 1.04 o -3 -4 6 23.47 20.65 1.44 o -2 -4 6 67.62 63.85 0.72 o -1 -4 6 20.88 24.35 0.67 o 0 -4 6 53.63 53.96 1.81 o 1 -4 6 8.06 8.41 0.50 o 2 -4 6 7.91 8.87 0.78 o 3 -4 6 61.99 54.61 8.56 o 4 -4 6 0.12 0.06 0.12 o -5 -3 6 4.35 4.17 0.27 o -4 -3 6 159.45 163.65 10.70 o -3 -3 6 11.95 9.98 0.52 o -2 -3 6 132.59 129.79 1.00 o -1 -3 6 131.73 130.80 6.96 o 0 -3 6 61.58 62.09 3.41 o 1 -3 6 217.72 212.66 24.91 o 2 -3 6 1.83 1.87 0.25 o 3 -3 6 26.71 27.82 3.60 o 4 -3 6 25.57 26.21 3.46 o -5 -2 6 104.74 103.96 11.77 o -4 -2 6 22.42 20.74 2.29 o -3 -2 6 208.31 208.92 7.16 o -2 -2 6 119.56 109.38 0.87 o -1 -2 6 142.13 139.30 6.57 o 0 -2 6 325.13 341.63 22.74 o 1 -2 6 84.37 84.45 4.47 o 2 -2 6 121.82 116.16 13.97 o 3 -2 6 77.93 72.15 8.45 o 4 -2 6 5.43 4.58 0.86 o 5 -2 6 43.92 45.55 5.05 o -5 -1 6 62.75 55.89 5.94 o -4 -1 6 281.41 285.10 19.09 o -3 -1 6 7.46 6.03 0.26 o -2 -1 6 229.07 224.15 3.25 o -1 -1 6 142.82 142.35 6.83 o 0 -1 6 13.43 12.57 0.28 o 1 -1 6 432.50 445.79 28.17 o 2 -1 6 171.81 171.06 15.69 o 3 -1 6 82.50 75.17 8.35 o 4 -1 6 92.40 90.51 10.53 o 5 -1 6 15.88 15.09 1.17 o -5 0 6 53.21 47.32 5.23 o -4 0 6 111.85 107.88 9.43 o -3 0 6 79.10 65.43 5.70 o -2 0 6 281.88 283.27 10.09 o -1 0 6 115.29 110.99 1.44 o 0 0 6 501.91 567.13 25.90 o 1 0 6 12.55 11.66 0.27 o 2 0 6 45.80 42.37 2.24 o 3 0 6 244.16 221.47 22.65 o 4 0 6 0.11 0.14 0.13 o 5 0 6 115.04 116.16 12.45 o 0 -7 7 29.60 27.98 0.40 o -2 -6 7 35.08 36.80 1.94 o -1 -6 7 28.89 29.22 0.61 o 0 -6 7 52.96 53.11 0.84 o 1 -6 7 71.56 71.72 3.72 o 2 -6 7 2.19 2.06 0.28 o -3 -5 7 67.75 69.24 6.46 o -2 -5 7 14.28 14.00 0.37 o -1 -5 7 45.11 44.38 0.99 o 0 -5 7 170.91 168.76 9.65 o 1 -5 7 12.55 11.78 0.36 o 2 -5 7 116.03 116.81 8.21 o 3 -5 7 14.27 16.56 0.78 o -4 -4 7 23.08 24.51 2.59 o -3 -4 7 13.39 12.42 1.00 o -2 -4 7 126.21 120.04 1.57 o -1 -4 7 56.38 58.02 3.66 o 0 -4 7 124.85 125.38 5.78 o 1 -4 7 166.05 158.23 12.78 o 2 -4 7 17.74 17.70 1.36 o 3 -4 7 65.05 61.13 5.25 o 4 -4 7 42.05 44.74 4.41 o -4 -3 7 25.83 23.88 2.15 o -3 -3 7 79.80 78.04 5.12 o -2 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5.88 0.37 o -2 -5 8 36.24 37.59 1.31 o -1 -5 8 0.92 0.94 0.08 o 0 -5 8 30.85 32.90 0.69 o 1 -5 8 14.85 16.13 0.93 o 2 -5 8 41.24 41.93 1.98 o -3 -4 8 27.49 26.83 1.68 o -2 -4 8 22.55 23.45 0.65 o -1 -4 8 98.21 104.99 3.00 o 0 -4 8 12.84 4.98 7.08 o 1 -4 8 16.38 15.29 0.39 o 2 -4 8 5.79 6.50 0.29 o 3 -4 8 36.52 38.56 3.30 o -4 -3 8 17.54 16.20 1.87 o -3 -3 8 66.29 67.04 5.14 o -2 -3 8 29.81 30.66 0.51 o -1 -3 8 55.18 55.59 0.68 o 0 -3 8 36.47 35.08 0.63 o 1 -3 8 50.24 54.73 2.69 o 2 -3 8 32.45 30.73 2.08 o 3 -3 8 31.94 31.63 2.28 o -4 -2 8 37.16 32.38 2.92 o -3 -2 8 53.10 51.84 3.92 o -2 -2 8 2.09 2.45 0.16 o -1 -2 8 131.32 134.78 1.05 o 0 -2 8 35.68 37.66 1.09 o 1 -2 8 4.84 4.20 0.36 o 2 -2 8 74.86 75.61 4.45 o 3 -2 8 22.51 21.07 0.78 o 4 -2 8 64.45 64.17 5.62 o -4 -1 8 50.38 45.83 3.66 o -3 -1 8 179.32 183.23 10.94 o -2 -1 8 209.65 220.93 8.52 o -1 -1 8 39.17 42.63 0.91 o 0 -1 8 49.65 49.06 0.61 o 1 -1 8 216.81 237.89 11.60 o 2 -1 8 46.36 45.83 2.19 o 3 -1 8 57.92 56.87 3.78 o 4 -1 8 11.94 11.39 0.81 o -4 0 8 73.78 71.48 6.64 o -3 0 8 193.38 197.09 15.30 o -2 0 8 41.40 40.60 2.28 o -1 0 8 268.38 304.55 1.61 o 0 0 8 42.65 39.30 0.54 o 1 0 8 37.82 36.93 1.38 o 2 0 8 151.59 157.26 11.24 o 3 0 8 7.05 7.07 0.79 o 4 0 8 20.33 20.75 1.49 o -1 -5 9 19.12 18.64 0.40 o 0 -5 9 2.34 2.53 0.15 o 1 -5 9 31.38 34.02 1.49 o -2 -4 9 17.77 18.38 0.83 o -1 -4 9 58.97 57.10 0.65 o 0 -4 9 40.95 42.17 0.74 o 1 -4 9 9.80 9.62 0.30 o 2 -4 9 18.22 20.53 0.77 o -3 -3 9 17.82 16.89 1.20 o -2 -3 9 60.22 58.47 2.46 o -1 -3 9 25.13 27.08 0.49 o 0 -3 9 1.27 1.26 0.11 o 1 -3 9 163.01 183.18 10.28 o 2 -3 9 19.80 19.99 1.11 o 3 -3 9 29.25 30.32 1.99 o -3 -2 9 26.24 28.69 2.39 o -2 -2 9 20.88 20.20 0.43 o -1 -2 9 41.45 42.84 1.09 o 0 -2 9 122.07 132.34 1.06 o 1 -2 9 2.27 2.23 0.13 o 2 -2 9 85.48 92.54 4.61 o 3 -2 9 35.71 38.16 2.56 o -4 -1 9 77.55 77.42 8.26 o -3 -1 9 18.66 16.87 1.53 o -2 -1 9 13.58 13.29 0.37 o -1 -1 9 31.32 34.12 0.66 o 0 -1 9 16.25 15.11 0.39 o 1 -1 9 153.19 164.11 6.59 o 2 -1 9 0.41 1.07 0.31 o 3 -1 9 5.60 5.74 0.35 o -4 0 9 18.51 16.94 1.02 o -3 0 9 9.44 9.14 1.02 o -2 0 9 6.21 6.03 0.28 o -1 0 9 69.31 66.78 0.92 o 0 0 9 64.97 68.12 1.83 o 1 0 9 56.15 54.22 1.98 o 2 0 9 0.38 0.37 0.07 o 3 0 9 29.80 32.36 2.69 o -1 -4 10 3.00 3.16 0.20 o 0 -4 10 1.10 1.13 0.13 o 1 -4 10 17.09 17.13 0.32 o -2 -3 10 2.76 2.74 0.28 o -1 -3 10 36.59 37.55 1.63 o 0 -3 10 22.75 23.17 0.42 o 1 -3 10 3.73 3.18 0.49 o 2 -3 10 5.74 5.99 0.23 o -3 -2 10 5.34 5.03 0.21 o -2 -2 10 112.13 109.29 5.99 o -1 -2 10 17.22 17.37 0.65 o 0 -2 10 75.74 78.25 1.82 o 1 -2 10 16.70 17.20 0.51 o 2 -2 10 3.40 3.49 0.24 o -3 -1 10 26.93 23.47 2.24 o -2 -1 10 2.73 2.81 0.17 o -1 -1 10 55.76 56.28 1.48 o 0 -1 10 58.11 58.77 0.95 o 1 -1 10 2.50 2.93 0.29 o 2 -1 10 30.60 32.25 1.31 o -3 0 10 7.80 7.86 1.27 o -2 0 10 94.73 101.49 7.01 o -1 0 10 5.06 4.74 0.24 o 0 0 10 1.82 1.74 0.20 o 1 0 10 35.49 40.93 1.37 o 2 0 10 40.96 37.09 0.52 o 3 0 10 30.88 29.39 2.57 o -1 -2 11 9.95 9.15 0.26 o 0 -2 11 1.00 1.31 0.13 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