NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 74 M 4.5290 8.1476 120.3363 55.6227 34.3389 177.1813 75 S 3.9912 8.2517 113.7210 61.0459 62.4950 174.4531 76 Y 3.9785 8.8136 123.9987 60.4090 39.1598 178.7538 77 L 3.9288 8.1692 119.3112 57.9871 41.6843 179.4945 78 I 3.6288 8.2399 119.7301 64.4900 37.0037 178.2894 79 R 3.8189 8.0807 119.0187 59.2951 29.8147 178.5435 80 K 3.6545 7.8434 118.7676 59.6350 31.8700 178.2259 81 A 3.9493 8.1487 119.2008 55.4492 18.4313 179.2957 82 A 4.1119 7.9337 117.8645 53.5552 18.4338 178.5298 83 G 4.0923 7.9734 104.5252 46.4038 0.0000 173.8075 84 I 3.9035 8.0995 120.2038 61.0245 37.7197 176.5735 85 G 3.8695 8.5526 111.3475 47.2894 0.0000 174.4380 86 K 4.2564 8.1196 116.3997 55.2118 33.9488 178.1945 87 G 4.0093 8.6613 116.1581 46.1368 0.0000 172.5392 88 S 4.6418 8.4373 114.7513 57.4332 65.5298 174.2821 89 S 4.7621 8.6475 115.4976 58.4334 63.7332 173.9476 90 T 4.7994 7.3431 111.8393 60.7511 68.7510 173.4652 91 P 4.5520 0.0000 0.0000 65.1152 31.2184 175.9359 92 N 4.8699 8.2460 116.6551 53.0708 40.2058 175.2525 93 K 3.7438 8.1785 118.1235 57.0419 31.1768 176.9480 94 A 4.3422 5.8000 126.9988 51.4609 19.5889 178.5095 95 K 4.5971 8.1790 131.9299 57.4624 31.4564 177.5786 96 V 4.3659 8.3797 121.1271 64.1117 34.5945 174.9682 97 G 3.8670 7.5119 112.0383 44.9356 0.0000 172.6518 98 K 5.4094 8.6438 124.1656 56.4779 34.5846 173.3830 99 L 4.6846 7.7751 124.1530 54.8688 44.4582 173.7797 100 N 4.8358 10.0905 117.0275 50.8594 41.2696 175.1987 101 W 4.4080 8.6624 120.6860 60.0848 27.7279 177.8543 102 D 4.4213 10.0291 119.2046 57.5228 40.1271 179.0918 103 Q 4.2489 7.9116 119.2374 58.6614 28.8418 178.9931 104 V 3.6516 7.5331 118.8544 66.2410 31.3000 177.7099 105 L 4.0525 7.8853 119.1499 57.5109 41.3885 178.6739 106 E 3.9696 8.2225 116.8508 60.0014 29.1649 178.8315 107 I 3.6572 7.6265 119.9986 64.5260 37.3801 178.2410 108 A 4.0586 8.0127 120.7137 54.7285 17.9140 178.6912 109 K 4.3011 7.7305 115.9545 57.1149 32.3528 176.9993 110 T 4.6239 7.8654 113.3927 64.9035 73.9363 176.0370 111 K 4.1837 8.4625 119.3135 57.3825 32.6317 178.6454 112 M 3.9271 7.7464 117.6545 58.2182 30.7721 176.7727 113 P 4.6251 0.0000 0.0000 62.9877 31.0396 176.4524 114 D 4.7719 8.5320 115.3327 54.1552 43.5249 176.2651 115 L 4.6308 7.9631 122.8080 52.6187 40.6906 178.1055 116 N 4.6731 8.2183 120.6555 52.1065 36.8079 176.1384 117 A 4.0283 9.4689 122.2797 52.9121 18.8717 178.9239 118 G 3.8505 8.6460 111.4257 44.8576 0.0000 172.9201 119 S 3.6774 8.8597 113.2073 59.9805 63.8696 178.0947 120 V 2.7639 9.4968 122.3986 63.5156 33.7371 176.9684 121 E 3.6522 8.6442 121.3976 59.1878 30.4059 178.9524 122 A 3.8288 7.8406 119.2355 55.9827 17.8525 179.1611 123 A 4.1928 9.2078 117.9999 53.9619 18.5767 179.6251 124 A 4.0434 7.7684 118.6287 54.4533 18.8297 178.3421 125 N 4.7274 8.8783 114.5663 54.6845 39.7303 177.1779 126 T 3.8562 8.0696 117.2443 67.0381 68.9856 176.3227 127 V 3.7193 7.5956 117.9257 65.6516 31.3645 176.7255 128 A 4.0150 8.6235 120.8562 55.4050 18.0083 179.2758 129 G 3.8651 8.0536 101.3662 48.1868 0.0000 175.1302 130 T 3.8590 8.0506 117.3004 66.6245 68.5535 176.2117 131 A 4.2293 8.0122 121.7788 54.2377 18.2973 178.6332 132 R 4.3670 8.2915 115.5967 57.2012 30.3356 176.6032 133 S 4.6786 7.8852 111.6049 59.0466 64.6006 174.0261 134 M 4.3142 7.8668 118.1358 55.0833 33.4998 175.7300 135 G 3.7414 8.4350 106.0152 46.5532 0.0000 173.8465 136 V 4.5471 7.4256 117.0149 60.7023 34.4385 175.7523 137 T 4.1255 8.7704 120.0540 61.6749 69.8410 173.6734 138 V 4.4925 8.3141 126.3531 61.6158 32.7228 174.9910 139 E 4.2742 8.6533 128.3969 55.5563 30.5549 178.5857 140 G 3.9802 10.1097 114.3169 46.0726 0.0000 174.6058 141 G 3.9913 8.3941 109.3986 43.7322 0.0000 174.2282 142 P 4.3840 0.0000 0.0000 61.4687 32.4246 175.0035 143 N 3.6077 8.7137 115.4678 55.3158 37.7087 174.5661 144 A 4.1567 8.2451 119.3565 53.1483 18.8088 176.5893 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 74 M 8.15 4.53 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 75 S 8.25 3.99 0.00 4.16 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 76 Y 8.81 3.98 0.00 3.08 3.01 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 77 L 8.17 3.93 0.00 1.89 1.74 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.24 3.63 2.08 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.79 0.89 0.00 0.00 79 R 8.08 3.82 0.00 1.80 2.12 0.00 3.13 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.91 0.00 80 K 7.84 3.65 0.00 1.56 1.80 0.00 1.52 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.30 7.81 81 A 8.15 3.95 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.93 4.11 1.30 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 0.00 0.00 83 G 7.97 4.09 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 0.00 84 I 8.10 3.90 1.84 0.00 0.00 0.84 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 0.54 0.89 0.00 0.00 85 G 8.55 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.12 4.26 0.00 1.72 1.56 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.39 7.81 87 G 8.66 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 0.00 0.00 0.00 88 S 8.44 4.64 0.00 3.94 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.65 4.76 0.00 3.97 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 90 T 7.34 4.80 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 1.21 0.00 0.00 91 P 0.00 4.55 0.00 2.20 2.21 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 92 N 8.25 4.87 0.00 2.81 2.94 0.00 0.00 6.74 6.76 0.00 0.00 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 K 8.18 3.74 0.00 1.73 1.60 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.42 7.81 94 A 5.80 4.34 1.28 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 95 K 8.18 4.60 0.00 1.76 1.59 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.42 7.81 96 V 8.38 4.37 2.23 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 0.76 0.00 0.00 0.93 0.00 0.00 97 G 7.51 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.64 5.41 0.00 1.70 1.62 0.00 1.58 0.00 0.00 2.41 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.17 1.35 7.81 99 L 7.78 4.68 0.00 1.80 1.69 0.94 0.18 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 0.00 100 N 10.09 4.84 0.00 2.48 2.38 0.00 0.00 7.37 7.83 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 0.00 101 W 8.66 4.41 0.00 3.60 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 D 10.03 4.42 0.00 2.50 2.62 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 0.00 103 Q 7.91 4.25 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.14 0.00 104 V 7.53 3.65 2.32 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 1.08 0.00 0.00 1.04 0.00 0.00 105 L 7.89 4.05 0.00 1.89 1.71 1.11 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.22 3.97 0.00 2.19 2.24 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 2.65 2.44 0.00 107 I 7.63 3.66 2.09 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 1.47 0.83 0.93 0.00 0.00 108 A 8.01 4.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.73 4.30 0.00 1.89 1.99 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.53 7.81 110 T 7.87 4.62 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 111 K 8.46 4.18 0.00 1.83 1.85 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.48 7.81 112 M 7.75 3.93 0.00 2.40 2.37 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.65 0.00 113 P 0.00 4.63 0.00 2.07 2.12 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 114 D 8.53 4.77 0.00 2.68 2.61 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 0.00 0.00 0.00 0.00 115 L 7.96 4.63 0.00 1.78 1.59 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 116 N 8.22 4.67 0.00 2.83 2.92 0.00 0.00 6.30 7.26 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 0.00 117 A 9.47 4.03 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 G 8.65 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 S 8.86 3.68 0.00 3.90 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 0.00 120 V 9.50 2.76 2.08 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 0.98 0.00 0.00 0.94 0.00 0.00 121 E 8.64 3.65 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 2.38 2.41 0.00 122 A 7.84 3.83 1.29 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 0.00 0.00 123 A 9.21 4.19 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 0.00 124 A 7.77 4.04 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 N 8.88 4.73 0.00 2.69 2.85 0.00 0.00 6.89 7.51 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 0.00 126 T 8.07 3.86 4.23 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 1.22 0.00 0.00 127 V 7.60 3.72 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 1.03 0.00 0.00 0.99 0.00 0.00 128 A 8.62 4.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.05 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 T 8.05 3.86 4.45 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 1.23 0.00 0.00 131 A 8.01 4.23 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 8.29 4.37 0.00 1.88 2.01 0.00 3.22 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 133 S 7.89 4.68 0.00 3.94 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 M 7.87 4.31 0.00 1.93 2.15 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 2.52 2.45 0.00 135 G 8.44 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 0.00 0.00 0.00 136 V 7.43 4.55 2.23 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 0.83 0.00 0.00 0.93 0.00 0.00 137 T 8.77 4.13 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 1.26 0.00 0.00 138 V 8.31 4.49 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.96 0.00 0.00 139 E 8.65 4.27 0.00 2.16 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 2.65 2.38 0.00 140 G 10.11 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 G 8.39 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 P 0.00 4.38 0.00 2.02 1.98 0.00 3.80 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 143 N 8.71 3.61 0.00 2.80 2.81 0.00 0.00 6.99 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.25 4.16 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00