NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 49 P 4.3291 0.0000 0.0000 61.9327 32.5209 175.9399 50 T 4.0175 8.0079 112.0292 59.0675 69.7178 172.0402 51 T 4.4053 8.0322 112.7338 60.3593 73.1823 174.5601 52 G 3.1929 7.9455 108.8160 43.7712 0.0000 172.0209 53 W 5.1505 8.4402 118.6501 57.1358 29.7355 176.0532 54 K 4.8537 10.2275 125.9456 54.8394 35.4184 174.4195 55 Q 4.4868 8.5645 128.5496 54.7245 30.0556 174.6217 56 E 4.4477 9.3193 126.0838 55.5420 32.6786 175.5555 57 N 4.2823 9.7145 122.9559 54.5152 35.9641 175.4414 58 G 3.8862 8.3951 103.0102 45.8999 0.0000 173.5138 59 M 4.7461 7.5446 118.4853 52.9203 35.5123 174.2894 60 W 5.3088 8.3770 120.9551 55.9370 31.1881 175.0310 61 Y 5.3340 9.9783 121.8260 56.1355 41.9793 174.0824 62 F 4.9894 8.6547 123.0206 56.6393 42.2820 173.2293 63 Y 4.8480 7.8739 124.0751 56.1707 40.2013 175.7497 64 N 4.9346 9.8022 122.2923 52.8825 39.6271 176.4799 65 T 3.8488 8.4451 116.7978 66.9718 68.5652 175.6722 66 D 4.4863 8.0480 116.7108 53.7040 38.9894 177.2208 67 G 3.9501 8.1332 107.7943 45.7972 0.0000 174.2690 68 S 4.6309 8.0755 114.9457 57.8780 65.0532 173.2684 69 M 4.5696 8.3605 120.6756 54.5213 32.6138 176.3130 70 A 4.2967 8.6835 125.5507 52.4575 19.3423 176.7982 71 T 4.3373 7.9772 115.1990 62.9998 72.9418 175.9833 72 G 3.1988 8.1714 110.8928 44.1962 0.0000 172.7299 73 W 5.0094 8.3690 119.0638 57.1464 30.0661 176.0722 74 V 4.5621 9.9001 123.3364 61.1471 34.3756 173.7849 75 Q 5.0647 8.8001 128.3387 53.1895 30.9561 174.8389 76 V 4.3542 7.8929 124.3868 61.1244 34.5627 174.5504 77 N 4.1262 10.0342 116.8395 54.1734 36.1168 175.5047 78 G 3.9069 8.2731 107.3730 45.2908 0.0000 174.5352 79 S 4.4397 7.7993 115.9171 57.4673 64.1692 173.0132 80 W 5.3630 8.1770 122.4194 55.6889 31.7865 174.7120 81 Y 5.4446 9.5088 119.2086 56.7601 42.6224 173.3778 82 Y 4.7616 8.7278 122.4013 55.7526 41.9221 173.8419 83 L 4.9015 7.7882 126.9279 52.7420 44.0708 176.2752 84 N 4.7228 8.9983 121.8507 53.3229 39.4273 176.3337 85 S 4.1711 8.7433 115.8370 61.6532 62.9328 175.3564 86 N 4.6535 8.1410 115.3041 52.5880 37.1446 176.0972 87 G 3.9979 8.4502 108.1882 45.5521 0.0000 174.3733 88 S 3.5484 8.1060 115.7247 57.8901 64.4562 173.2681 89 M 4.6676 8.2190 123.7805 54.9674 32.7327 176.0281 90 K 4.0832 8.9262 126.7616 56.8072 33.1134 176.5313 91 V 4.3677 7.8446 116.9262 59.6375 35.6820 174.6826 92 N 4.0570 8.4036 119.8519 53.8236 37.3747 172.9717 93 Q 4.7825 7.2629 113.5236 55.0935 33.0042 174.3242 94 W 5.6218 9.0800 120.6029 56.0255 30.4824 175.8651 95 F 5.2916 9.6324 119.0073 55.3252 41.3415 173.0074 96 Q 4.4828 8.1532 121.1689 54.3182 30.7516 175.0546 97 V 4.2318 8.4401 125.2932 62.3084 34.5703 175.1707 98 G 4.2758 9.8024 116.1801 46.8122 0.0000 174.1521 99 G 3.8917 8.4582 104.7390 44.9736 0.0000 173.8849 100 K 4.7038 7.6558 118.1014 54.1038 35.7733 175.1805 101 W 5.1201 8.6642 122.5165 56.0026 30.6513 175.2322 102 Y 4.9140 9.6338 120.6333 56.3519 42.2929 173.6372 103 Y 4.8009 8.2987 120.8659 55.7879 42.4323 174.2256 104 V 4.8894 7.4966 119.2763 59.3437 35.0821 176.0542 105 N 5.1488 8.7057 122.9922 52.1768 38.5786 175.6787 106 T 3.9288 8.4446 107.3440 64.2331 68.7300 174.9544 107 S 4.4089 8.6848 117.5751 58.5047 63.2105 175.1096 108 G 4.1763 8.4389 109.6005 44.3320 0.0000 173.0667 109 E 4.3656 8.0194 118.5359 54.6724 31.5850 175.4470 110 L 4.7589 8.5469 126.5110 55.0739 42.7714 176.2503 111 A 4.3844 9.1797 129.5274 51.9102 18.9890 177.2388 112 V 4.3288 8.0580 114.7516 60.7344 35.9293 175.3710 113 N 4.1973 8.8907 118.9978 54.0761 35.8320 174.4820 114 T 4.1906 7.3247 110.0779 62.0511 68.7351 174.3501 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 49 P 0.00 4.33 0.00 2.11 1.90 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.59 0.00 50 T 8.01 4.02 4.14 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 1.13 0.00 0.00 51 T 8.03 4.41 4.10 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 1.19 0.00 0.00 52 G 7.95 3.19 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 53 W 8.44 5.15 0.00 3.32 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 54 K 10.23 4.85 0.00 2.14 2.04 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.46 7.81 55 Q 8.56 4.49 0.00 0.93 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.53 0.00 0.00 0.00 0.00 0.00 1.77 1.16 0.00 56 E 9.32 4.45 0.00 1.92 1.71 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 2.14 2.23 0.00 57 N 9.71 4.28 0.00 2.90 2.90 0.00 0.00 7.21 7.65 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 58 G 8.40 3.89 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 59 M 7.54 4.75 0.00 1.80 2.02 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 60 W 8.38 5.31 0.00 3.24 3.11 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 61 Y 9.98 5.33 0.00 2.95 2.63 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 62 F 8.65 4.99 0.00 2.20 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 63 Y 7.87 4.85 0.00 2.88 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 64 N 9.80 4.93 0.00 2.83 2.77 0.00 0.00 6.73 6.93 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 65 T 8.45 3.85 4.24 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 1.20 0.00 0.00 66 D 8.05 4.49 0.00 2.77 2.77 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 67 G 8.13 3.95 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 68 S 8.08 4.63 0.00 3.94 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 69 M 8.36 4.57 0.00 1.75 1.92 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 1.48 0.00 70 A 8.68 4.30 1.23 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 0.00 0.00 71 T 7.98 4.34 4.17 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 1.09 0.00 0.00 72 G 8.17 3.20 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 73 W 8.37 5.01 0.00 3.41 3.62 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 74 V 9.90 4.56 2.41 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 1.06 0.00 0.00 0.87 0.00 0.00 75 Q 8.80 5.06 0.00 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.53 0.00 0.00 0.00 0.00 0.00 1.59 1.16 0.00 76 V 7.89 4.35 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 0.96 0.00 0.00 0.95 0.00 0.00 77 N 10.03 4.13 0.00 2.87 2.90 0.00 0.00 7.16 7.65 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 G 8.27 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 79 S 7.80 4.44 0.00 3.71 3.42 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 80 W 8.18 5.36 0.00 3.26 3.26 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 Y 9.51 5.44 0.00 3.13 2.90 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 82 Y 8.73 4.76 0.00 2.35 2.21 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 7.79 4.90 0.00 1.44 1.45 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 84 N 9.00 4.72 0.00 2.71 2.74 0.00 0.00 6.61 7.61 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 S 8.74 4.17 0.00 3.85 3.92 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 86 N 8.14 4.65 0.00 2.86 2.93 0.00 0.00 6.12 7.00 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 87 G 8.45 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 88 S 8.11 3.55 0.00 3.65 3.74 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 M 8.22 4.67 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.58 0.00 90 K 8.93 4.08 0.00 1.54 1.33 0.00 0.66 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.18 1.30 7.81 91 V 7.84 4.37 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 0.79 0.00 0.00 0.94 0.00 0.00 92 N 8.40 4.06 0.00 2.79 2.82 0.00 0.00 6.83 7.08 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 93 Q 7.26 4.78 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.65 0.00 0.00 0.00 0.00 0.00 2.20 2.51 0.00 94 W 9.08 5.62 0.00 3.36 3.48 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 9.63 5.29 0.00 2.90 3.05 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 Q 8.15 4.48 0.00 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.72 0.00 0.00 0.00 0.00 0.00 1.86 1.74 0.00 97 V 8.44 4.23 1.92 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 1.04 0.00 0.00 0.64 0.00 0.00 98 G 9.80 4.28 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 99 G 8.46 3.89 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 0.00 100 K 7.66 4.70 0.00 1.93 1.48 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.54 7.81 101 W 8.66 5.12 0.00 3.22 3.45 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 0.00 102 Y 9.63 4.91 0.00 1.78 2.60 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 Y 8.30 4.80 0.00 1.43 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 0.00 0.00 0.00 104 V 7.50 4.89 2.05 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 1.11 0.00 0.00 0.89 0.00 0.00 105 N 8.71 5.15 0.00 3.09 3.18 0.00 0.00 6.44 6.51 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 T 8.44 3.93 4.28 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 1.27 0.00 0.00 107 S 8.68 4.41 0.00 4.08 3.97 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 0.00 108 G 8.44 4.18 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 0.00 109 E 8.02 4.37 0.00 1.79 1.97 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 2.56 2.29 0.00 110 L 8.55 4.76 0.00 2.00 1.84 1.28 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 111 A 9.18 4.38 1.32 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 0.00 112 V 8.06 4.33 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 0.83 0.00 0.00 0.97 0.00 0.00 113 N 8.89 4.20 0.00 2.82 2.82 0.00 0.00 6.75 7.54 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 T 7.32 4.19 4.22 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 1.26 0.00 0.00