NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 30 M 4.3785 8.3044 120.3206 55.4307 34.5220 176.0265 31 S 4.2050 7.7301 114.4514 56.0625 60.6587 168.0898 32 V 3.6614 7.6442 123.8815 62.6821 33.3645 174.1637 33 A 4.7857 7.9831 126.8665 49.6516 22.3293 176.0036 34 C 4.8461 8.5210 118.7100 59.0040 30.3670 174.9839 35 L 4.0348 8.3231 120.2007 58.1517 40.9293 180.0078 36 S 4.1397 7.9297 114.8055 61.8436 62.8306 176.3353 37 C 4.2159 8.0423 118.7116 62.4423 27.9079 175.9480 38 R 3.8500 8.3056 120.9714 59.0049 29.4640 178.2728 39 K 4.0075 7.9401 118.6454 58.8651 32.2774 178.0508 40 R 4.4236 7.5282 114.9154 54.7509 31.7816 175.8860 41 H 4.0188 7.6464 114.7777 56.7687 26.3351 174.3092 42 I 4.4340 8.6725 120.3578 59.6828 39.2306 177.8434 43 K 4.2672 8.2289 123.5010 55.1072 30.1918 175.5908 44 C 4.1078 8.1762 122.0254 58.6296 31.6610 171.4255 45 P 4.2295 0.0000 0.0000 63.5006 31.3551 175.4492 46 G 3.6575 7.2765 121.3773 43.3584 0.0000 171.2865 47 G 3.9616 7.5281 114.4846 45.9745 0.0000 170.4742 48 N 4.7485 8.5348 117.1572 51.1954 40.6643 173.1534 49 P 4.4826 0.0000 0.0000 62.1882 33.0112 178.9813 50 C 4.8130 8.0661 116.2025 57.8311 29.1864 174.6052 51 Q 4.3799 8.6955 112.1757 56.4234 32.4145 176.9195 52 K 4.1397 8.2079 116.7749 59.1620 31.9043 178.3835 53 C 4.3775 7.8811 115.9993 61.7402 28.6880 176.0101 54 V 3.6164 7.6669 118.5001 66.0823 31.1988 177.4924 55 T 4.0730 8.2048 112.7666 64.9772 67.3166 174.8587 56 S 4.2560 7.8015 115.6944 57.9246 62.8908 173.3268 57 N 4.9489 7.2562 126.7176 54.1243 39.1869 174.6738 58 A 4.8103 7.8280 120.3519 51.1657 22.1985 176.7328 59 I 3.9220 8.0724 120.2857 61.0570 37.9289 175.9376 60 C 4.4892 8.3719 122.2314 58.1465 28.7907 173.1345 61 E 4.4199 7.9306 123.2331 54.8567 33.4616 175.4021 62 Y 5.0656 8.1293 117.7734 57.9658 38.7012 175.9393 63 L 4.8865 7.8372 118.0257 53.1388 45.3848 177.3239 64 E 4.6243 8.3882 122.3137 53.1017 29.4370 172.1592 65 P 4.2902 0.0000 0.0000 62.9264 32.5713 178.5169 66 S 4.6091 8.3220 121.8274 56.8742 61.7403 174.1072 67 K 3.3293 7.3488 117.2897 56.2407 32.7040 179.1238 68 K 3.6755 7.7460 123.0044 56.2397 32.0173 174.4057 69 I 4.1975 7.8309 118.5330 59.9048 39.1667 175.7457 70 V 4.2018 7.7784 125.9560 62.6974 32.4871 172.7485 71 V 4.3786 7.7718 125.7357 61.1189 40.3000 173.8135 72 S 4.6327 8.1415 113.5573 56.2528 66.4290 174.7015 73 T 3.9082 8.7495 121.6433 65.1450 67.1532 175.9218 74 K 3.9109 8.2334 121.1743 59.5334 32.0913 177.8722 75 Y 3.8853 8.0645 119.8673 60.6290 38.7720 177.9894 76 L 4.0869 8.0241 119.7701 57.9991 41.7333 179.6206 77 Q 3.9940 8.0687 117.3205 59.1387 28.7788 178.2813 78 Q 3.9646 8.6046 120.8460 59.3374 28.9251 178.4862 79 L 4.1999 7.9652 119.0846 57.1079 41.7255 178.8661 80 Q 4.0626 8.1992 119.7287 58.5012 28.9224 178.1554 81 K 4.0059 8.7251 119.9995 59.2652 32.1409 178.5184 82 D 4.3430 7.8028 116.9451 57.4671 41.3700 177.8462 83 L 4.0866 7.7958 120.1990 58.2351 42.0844 178.5351 84 N 4.3478 7.9042 117.1776 56.5622 38.8860 176.2901 85 D 4.7530 8.4939 119.5947 56.6815 41.1554 178.1124 86 K 4.1126 7.9194 119.0537 59.2329 32.1175 179.3911 87 T 3.9247 7.6428 115.8219 66.6360 68.7322 176.6399 88 E 4.0187 8.6403 120.8861 59.2884 29.3955 179.4493 89 E 3.9359 8.2001 118.6628 59.6427 29.5242 178.9772 90 N 4.4761 8.4166 116.6171 56.4894 38.2709 177.2163 91 N 4.3724 7.9046 117.3193 55.9471 38.8618 177.2021 92 R 4.0283 7.8047 119.8218 59.3202 30.1943 178.0087 93 L 3.9067 8.4850 120.4291 58.3022 41.4131 179.0270 94 K 3.9921 8.0064 119.4068 58.5980 31.9202 177.6412 95 A 4.5744 7.9738 118.6341 52.2127 19.0739 177.7880 96 L 4.4912 7.6761 118.3821 55.4833 43.2044 177.6016 97 L 4.5909 7.5018 117.2419 54.9765 42.9481 178.3948 98 L 3.7798 7.5324 119.7467 57.3811 42.2661 177.3266 99 E 4.2641 8.0820 117.9007 57.0030 30.3419 175.5412 100 R 4.1821 7.4578 122.6130 56.2902 30.4010 174.4076 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 30 M 8.30 4.38 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 31 S 7.73 4.21 0.00 3.88 3.75 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 32 V 7.64 3.66 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.87 0.00 0.00 33 A 7.98 4.79 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 34 C 8.52 4.85 0.00 3.00 2.83 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 35 L 8.32 4.03 0.00 1.72 1.72 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.93 4.14 0.00 3.86 3.90 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 37 C 8.04 4.22 0.00 3.12 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.31 3.85 0.00 2.14 2.08 0.00 3.14 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 39 K 7.94 4.01 0.00 1.92 2.00 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.64 7.81 40 R 7.53 4.42 0.00 1.78 1.94 0.00 3.38 0.00 0.00 3.23 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 41 H 7.65 4.02 0.00 3.27 3.35 0.00 5.66 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.67 4.43 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 1.32 0.67 0.93 0.00 0.00 43 K 8.23 4.27 0.00 1.75 1.78 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.36 7.81 44 C 8.18 4.11 0.00 2.99 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.23 0.00 2.22 2.09 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 46 G 7.28 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.53 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 48 N 8.53 4.75 0.00 2.75 2.75 0.00 0.00 6.67 7.60 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 49 P 0.00 4.48 0.00 2.12 1.99 0.00 3.50 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 50 C 8.07 4.81 0.00 3.19 2.86 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 0.00 0.00 0.00 0.00 51 Q 8.70 4.38 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.92 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 52 K 8.21 4.14 0.00 1.83 1.87 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.50 7.81 53 C 7.88 4.38 0.00 2.94 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.67 3.62 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 0.91 0.00 0.00 0.92 0.00 0.00 55 T 8.20 4.07 4.31 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 1.22 0.00 0.00 56 S 7.80 4.26 0.00 4.06 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.26 4.95 0.00 2.81 2.88 0.00 0.00 5.70 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 58 A 7.83 4.81 1.22 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 0.00 0.00 0.00 59 I 8.07 3.92 1.83 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 1.39 0.56 0.86 0.00 0.00 60 C 8.37 4.49 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.93 4.42 0.00 1.84 1.67 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 2.19 2.20 0.00 62 Y 8.13 5.07 0.00 2.99 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.84 4.89 0.00 1.59 1.54 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.39 4.62 0.00 1.87 1.81 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 2.19 2.33 0.00 65 P 0.00 4.29 0.00 2.21 2.06 0.00 3.81 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 1.99 1.99 0.00 66 S 8.32 4.61 0.00 3.87 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 7.35 3.33 0.00 1.73 1.73 0.00 1.89 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.49 7.81 68 K 7.75 3.68 0.00 1.87 1.79 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.44 7.81 69 I 7.83 4.20 1.81 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.57 0.86 0.00 0.00 70 V 7.78 4.20 2.07 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 0.91 0.00 0.00 0.92 0.00 0.00 71 V 7.77 4.38 2.17 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 0.73 0.00 0.00 0.80 0.00 0.00 72 S 8.14 4.63 0.00 3.87 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 73 T 8.75 3.91 4.26 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 1.23 0.00 0.00 74 K 8.23 3.91 0.00 1.87 1.82 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.51 7.81 75 Y 8.06 3.89 0.00 3.23 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 76 L 8.02 4.09 0.00 1.98 1.74 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.07 3.99 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.86 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 78 Q 8.60 3.96 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 79 L 7.97 4.20 0.00 2.08 1.76 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 8.20 4.06 0.00 2.42 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 81 K 8.73 4.01 0.00 1.85 1.83 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.59 7.81 82 D 7.80 4.34 0.00 2.83 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 4.09 0.00 1.87 1.85 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.90 4.35 0.00 3.06 2.81 0.00 0.00 6.86 8.34 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 85 D 8.49 4.75 0.00 2.87 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 4.11 0.00 2.07 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.70 1.62 7.81 87 T 7.64 3.92 4.46 0.00 0.00 0.00 0.00 0.00 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 88 E 8.64 4.02 0.00 1.96 2.00 0.00 0.00 0.00 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 2.47 0.00 89 E 8.20 3.94 0.00 2.38 1.99 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 2.33 2.39 0.00 90 N 8.42 4.48 0.00 3.00 2.89 0.00 0.00 7.25 7.67 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 91 N 7.90 4.37 0.00 2.91 2.87 0.00 0.00 7.18 7.19 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 92 R 7.80 4.03 0.00 1.92 1.96 0.00 3.12 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 93 L 8.48 3.91 0.00 1.69 1.75 0.92 0.46 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 94 K 8.01 3.99 0.00 1.93 1.97 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.45 7.81 95 A 7.97 4.57 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 96 L 7.68 4.49 0.00 1.83 1.71 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.50 4.59 0.00 1.75 1.67 0.92 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.53 3.78 0.00 1.71 1.72 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.08 4.26 0.00 1.96 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 2.24 2.23 0.00 100 R 7.46 4.18 0.00 1.78 1.71 0.00 3.51 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00