NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 53 M 4.3994 8.2893 120.3427 55.4409 33.6365 175.6044 54 T 4.0848 8.0632 115.0543 60.4813 71.2064 174.0174 55 L 3.9467 8.7255 123.0358 58.3952 42.1186 180.6151 56 D 4.2987 8.0578 116.8095 57.5667 41.2893 177.8616 57 E 4.0080 8.1364 119.3948 59.1870 29.1202 178.8712 58 S 4.1601 8.2416 115.5119 61.7426 62.8602 176.4069 59 C 4.2319 8.2734 119.5692 62.6748 27.8135 176.3452 60 K 3.9807 8.1038 120.0373 59.6255 31.4664 179.3777 61 I 3.7385 7.6008 118.6798 64.0403 37.1315 177.5444 62 L 4.4133 7.6401 115.9935 53.3935 42.3551 175.8128 63 N 4.1087 8.0417 116.7301 54.6800 37.8163 174.1599 64 I 4.2474 8.1541 117.8855 59.6252 38.7997 176.0593 65 E 4.4077 9.0067 126.5784 54.4829 29.2264 176.3891 66 E 3.9567 8.7605 126.6500 59.0178 30.0951 179.0494 67 S 4.0706 8.2531 112.3291 61.3335 62.7416 174.9237 68 K 4.1595 7.8796 119.1832 55.8989 31.5039 177.1405 69 G 3.9622 8.1710 105.4514 46.1760 0.0000 175.5533 70 D 4.1517 7.9341 119.5320 56.3342 41.2380 177.0431 71 L 4.3955 7.0302 122.7879 53.2665 40.6056 175.4699 72 N 5.0560 7.5758 118.9272 49.7725 42.1093 174.7286 73 M 3.9308 8.6859 121.5695 59.2111 32.3585 178.2452 74 D 4.2758 8.0610 117.3623 57.2048 41.4882 177.9177 75 K 3.9823 8.3803 120.2323 59.3606 32.1270 178.7120 76 I 3.7117 7.8146 120.1159 64.6350 37.0135 177.8515 77 N 4.3625 8.3148 117.2117 56.6971 38.4007 177.2816 78 N 4.4231 8.1554 117.2038 56.2553 38.6986 177.6665 79 R 4.0106 8.4032 119.9128 59.2788 30.1319 178.7532 80 F 4.0775 8.6397 120.5949 61.4951 39.0089 176.7545 81 N 4.2209 8.6342 116.3042 56.5422 38.3527 176.6567 82 Y 4.1645 8.2070 120.6970 60.9398 38.8998 178.1631 83 L 3.8316 8.2105 119.7696 57.3319 41.4591 179.3627 84 F 4.0105 7.8908 120.6096 60.7931 39.4607 176.7037 85 E 3.8860 7.7345 118.6423 59.2186 29.3144 178.9427 86 V 3.4619 7.2998 116.8558 65.1309 31.5602 176.6750 87 N 4.6813 7.3875 114.5296 51.8500 39.0647 174.0615 88 D 4.5599 7.6512 121.5395 53.2850 42.0162 177.2281 89 K 4.4906 8.4338 123.5284 57.9241 33.5355 178.3988 90 E 3.8763 8.3080 120.8735 58.8609 29.4049 177.8885 91 K 4.4377 8.0941 114.9936 56.3258 32.5769 176.6469 92 G 3.9960 8.2015 106.4747 45.1605 0.0000 174.9054 93 G 3.8331 7.9848 108.3725 44.4203 0.0000 173.3221 94 S 4.6209 8.4009 114.5205 57.4224 63.1994 174.7267 95 F 4.2511 8.9662 131.8514 61.2277 39.2494 176.1450 96 Y 4.0325 8.2052 118.9748 60.7895 38.6722 178.1229 97 L 3.9882 7.8097 119.3800 57.8277 41.2328 179.1814 98 Q 3.8948 8.4102 119.9194 59.2222 28.7963 178.5702 99 S 3.9230 8.0607 116.4796 61.4955 62.7445 176.8253 100 K 3.8780 7.7100 120.8679 59.3398 31.6705 179.5725 101 V 3.6520 7.8829 118.4640 66.1736 31.4537 177.4057 102 Y 4.3142 8.5702 119.5377 61.0179 38.6039 178.2969 103 R 3.9286 8.6517 119.1668 59.0758 30.1530 178.9963 104 A 4.0161 8.6168 121.8763 54.5779 18.3668 179.4249 105 A 3.8645 8.3086 119.6829 55.2597 18.3836 179.2768 106 E 3.5464 8.1516 118.1015 59.3060 29.6190 178.9658 107 R 3.8392 8.1316 118.7960 59.7194 30.1247 178.5779 108 L 4.1079 7.9768 118.5559 57.5401 41.6409 179.6549 109 K 3.9496 8.3245 119.0127 58.8734 31.9051 179.2390 110 W 4.0298 8.2011 128.8312 60.4041 30.6436 177.5697 111 E 3.8831 8.2991 119.2763 59.4629 28.6812 178.8824 112 L 3.9159 8.2951 119.0362 57.5821 41.3921 179.3454 113 A 3.8832 7.5730 120.0784 54.7688 18.4197 179.6071 114 Q 3.7322 7.5732 116.7074 59.2689 28.6571 178.8406 115 R 3.8108 7.7141 117.6659 59.4103 30.1005 178.3072 116 E 4.0454 7.5811 117.8119 58.4031 29.7469 176.7556 117 K 4.1689 7.8750 123.5930 56.5515 32.4331 176.0635 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 53 M 8.29 4.40 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 54 T 8.06 4.08 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 55 L 8.73 3.95 0.00 1.72 1.81 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.06 4.30 0.00 2.79 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.14 4.01 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 58 S 8.24 4.16 0.00 4.09 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 C 8.27 4.23 0.00 3.13 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.10 3.98 0.00 1.96 1.87 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.61 7.81 61 I 7.60 3.74 2.05 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.59 0.95 0.00 0.00 62 L 7.64 4.41 0.00 1.73 1.75 0.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 63 N 8.04 4.11 0.00 2.85 2.87 0.00 0.00 7.01 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 I 8.15 4.25 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.03 0.93 0.00 0.00 65 E 9.01 4.41 0.00 2.13 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 66 E 8.76 3.96 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 67 S 8.25 4.07 0.00 4.01 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.88 4.16 0.00 1.76 1.99 0.00 1.85 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.38 7.81 69 G 8.17 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 7.93 4.15 0.00 2.79 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.03 4.40 0.00 1.41 1.59 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 72 N 7.58 5.06 0.00 2.95 2.82 0.00 0.00 5.72 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 M 8.69 3.93 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.64 0.00 74 D 8.06 4.28 0.00 2.78 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.38 3.98 0.00 1.89 1.95 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.49 7.81 76 I 7.81 3.71 2.07 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.50 0.90 0.00 0.00 77 N 8.31 4.36 0.00 2.94 2.93 0.00 0.00 7.13 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.16 4.42 0.00 2.84 2.88 0.00 0.00 7.06 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 R 8.40 4.01 0.00 2.08 2.07 0.00 3.34 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.99 0.00 80 F 8.64 4.08 0.00 3.11 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 N 8.63 4.22 0.00 2.98 2.95 0.00 0.00 6.74 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 8.21 4.16 0.00 3.02 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.21 3.83 0.00 1.72 1.68 1.03 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 84 F 7.89 4.01 0.00 1.97 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 7.73 3.89 0.00 2.15 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 86 V 7.30 3.46 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.48 0.00 0.00 87 N 7.39 4.68 0.00 2.75 2.69 0.00 0.00 6.53 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 D 7.65 4.56 0.00 2.46 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.43 4.49 0.00 1.99 2.15 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.30 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.38 7.81 90 E 8.31 3.88 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 91 K 8.09 4.44 0.00 1.72 1.74 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.31 7.81 92 G 8.20 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 7.98 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.40 4.62 0.00 3.94 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 F 8.97 4.25 0.00 3.12 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Y 8.21 4.03 0.00 3.14 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.81 3.99 0.00 1.85 1.70 0.95 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 8.41 3.89 0.00 2.05 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 99 S 8.06 3.92 0.00 3.73 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 7.71 3.88 0.00 1.87 1.81 0.00 1.54 0.00 0.00 1.40 0.00 0.00 2.16 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.31 1.44 7.81 101 V 7.88 3.65 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 1.00 0.00 0.00 102 Y 8.57 4.31 0.00 3.48 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.65 3.93 0.00 1.85 1.96 0.00 3.38 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.80 0.00 104 A 8.62 4.02 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.31 3.86 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.15 3.55 0.00 1.66 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.10 0.00 107 R 8.13 3.84 0.00 2.01 2.08 0.00 3.21 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 108 L 7.98 4.11 0.00 1.73 1.69 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.32 3.95 0.00 1.73 1.77 0.00 1.41 0.00 0.00 1.31 0.00 0.00 2.52 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.32 1.38 7.81 110 W 8.20 4.03 0.00 3.44 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.30 3.88 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 112 L 8.30 3.92 0.00 1.81 1.63 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.57 3.88 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 7.57 3.73 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.66 0.00 0.00 0.00 0.00 0.00 1.78 2.19 0.00 115 R 7.71 3.81 0.00 1.70 1.97 0.00 3.12 0.00 0.00 3.12 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 116 E 7.58 4.05 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 117 K 7.88 4.17 0.00 1.76 1.66 0.00 1.76 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.36 7.81