NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 I 4.3902 7.8300 114.2199 60.0481 40.7546 174.0955 23 K 4.4505 8.1464 123.9964 54.2551 33.3638 173.7514 24 L 5.0589 9.2605 127.0629 52.8204 46.8279 175.2166 25 K 4.9025 8.4937 119.2387 54.7273 35.4790 175.4586 26 V 4.7899 8.6633 125.2017 61.5132 33.4125 174.0627 27 I 4.3572 8.6834 130.2025 59.3868 39.3334 176.3165 28 G 3.9853 8.6965 114.3839 45.3968 0.0000 173.6015 29 Q 4.1659 8.0576 119.1391 59.1203 28.7079 179.9196 30 D 4.5968 7.9690 114.2455 53.6386 39.3791 176.2378 31 S 3.5758 7.8456 112.1292 59.9698 60.3144 170.7713 32 S 4.5120 7.6134 113.5768 55.5732 63.6017 174.3036 33 E 4.3842 8.3413 126.9262 57.3545 30.7502 176.3824 34 I 4.2315 8.0757 121.1638 60.4976 41.7120 173.0499 35 H 5.6303 8.4328 126.9978 54.4343 30.0217 174.7137 36 F 4.7826 8.9584 120.7258 55.2416 42.2419 175.2053 37 K 5.0557 8.4361 120.6566 55.0823 30.2187 176.1280 38 V 4.1458 7.8729 121.6208 60.1171 33.7079 176.1618 39 K 4.3056 8.0050 122.6065 55.6140 32.2917 177.8299 40 M 3.8294 8.4008 123.2994 58.2666 31.2381 178.1482 41 T 4.4662 7.6614 113.7454 63.8916 70.4833 174.9522 42 T 4.1071 7.3435 111.1960 60.7748 69.6847 174.3558 43 H 4.2476 8.4566 121.0271 56.6550 29.3041 176.1697 44 L 4.0812 8.1915 121.3272 55.4937 41.5713 179.1319 45 K 3.6848 7.9999 120.6135 59.9181 32.0196 178.3325 46 K 4.5996 7.8363 118.4545 57.9159 31.8914 179.1736 47 L 3.5363 7.4382 120.8467 57.8995 42.2250 178.5089 48 K 3.1456 7.5858 118.4785 59.3386 31.7649 178.9819 49 E 4.0207 8.4597 118.8732 59.4479 29.1973 178.6310 50 S 4.6940 7.6843 109.8783 58.6665 62.6721 173.9869 51 Y 4.7857 7.6519 122.3566 59.8185 39.5805 177.5513 52 C 4.1948 8.3024 117.2432 62.5827 28.4151 175.0999 53 Q 4.2937 8.0383 118.4095 56.9874 28.8571 176.1140 54 R 4.3923 7.6736 114.3748 57.0101 31.5794 176.3344 55 Q 4.3111 7.8197 116.1836 54.8317 30.0818 174.7098 56 G 4.2030 7.9116 107.5643 47.2117 0.0000 175.4635 57 V 3.9477 7.4369 111.5974 59.6339 32.4604 173.9076 58 P 4.6673 0.0000 0.0000 61.8938 32.9854 176.2567 59 M 4.2667 8.7170 117.8065 58.9539 32.0889 177.4630 60 N 4.7607 8.1770 112.9823 53.2696 37.5593 175.2927 61 S 4.7241 8.1348 115.0096 58.8535 65.3435 173.5383 62 L 5.2627 7.9727 118.9250 52.8154 44.7261 176.0005 63 R 4.7092 8.7764 120.1087 54.4251 34.1482 174.5634 64 F 5.1214 8.8704 120.8528 55.8953 41.5523 174.3009 65 L 5.2905 9.4827 124.5941 52.8779 44.5944 175.2796 66 F 4.8867 8.9660 126.8104 57.1648 40.8574 176.1125 67 E 3.4781 8.5652 125.7990 56.9269 28.0612 173.3543 68 G 4.1070 8.0149 111.7179 46.3888 0.0000 172.6457 69 Q 4.0348 8.1130 122.0776 55.1158 29.4364 174.6969 70 R 4.3798 8.5591 126.4487 56.6578 30.7476 175.7556 71 I 4.1977 9.3069 129.3069 60.8363 37.6198 175.8440 72 A 4.5278 8.8281 129.1517 50.4307 20.7057 177.3351 73 D 4.2938 8.8866 118.9004 57.8731 40.9669 178.8524 74 N 4.1413 7.9589 114.7092 55.9484 38.6523 175.4355 75 H 4.0601 8.0182 116.0556 56.7244 29.3909 174.2992 76 T 4.4670 8.2269 120.4611 61.6011 69.4830 174.1956 77 P 4.1153 0.0000 0.0000 65.6869 31.6725 177.9921 78 K 4.0860 7.7138 118.3832 59.3684 32.0356 178.4523 79 E 4.4497 7.8772 114.0072 56.0780 29.2877 175.9395 80 L 4.7049 7.6043 119.1741 53.7305 45.3269 178.2422 81 G 4.1193 8.6470 115.5830 44.5875 0.0000 173.8412 82 M 3.8941 9.3096 119.4367 55.6231 32.3165 176.7730 83 E 4.5808 10.0036 123.8469 54.7649 32.1250 175.7500 84 E 4.5829 8.3231 118.6978 55.7390 29.1129 175.6500 85 E 4.9579 7.8369 123.5586 56.9168 35.7232 176.2302 86 D 4.7015 7.5961 119.0244 53.9191 40.8178 175.4394 87 V 4.7956 8.3384 118.7276 61.4672 33.3778 174.7127 88 I 4.6588 8.9873 129.2006 60.3557 38.7874 174.7592 89 E 4.8048 9.4578 127.3000 55.2235 30.2110 175.3168 90 V 4.5541 7.9907 122.5348 61.2028 34.5053 173.8475 91 Y 5.0045 8.3764 125.1114 56.1402 41.3559 174.4530 92 Q 4.0272 8.5139 121.1711 52.7864 30.6241 176.8154 93 E 4.1470 8.6800 123.3829 56.4773 30.3423 175.9588 94 Q 4.7197 8.6167 125.2544 54.5504 30.9023 175.2146 95 T 4.7248 8.0991 117.5905 62.1118 72.6227 173.5570 96 G 4.1687 8.2204 111.3382 44.7929 0.0000 173.5105 97 G 3.7045 8.4911 110.4709 45.5075 0.0000 172.3883 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 22 I 7.83 4.39 1.88 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 1.45 1.54 0.91 0.00 0.00 23 K 8.15 4.45 0.00 1.86 1.76 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.55 7.81 24 L 9.26 5.06 0.00 1.75 1.57 0.87 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.49 4.90 0.00 1.78 1.76 0.00 1.68 0.00 0.00 1.95 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.43 7.81 26 V 8.66 4.79 2.43 0.00 0.00 0.00 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 1.04 0.00 0.00 27 I 8.68 4.36 1.85 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 1.19 0.57 0.89 0.00 0.00 28 G 8.70 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 29 Q 8.06 4.17 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 7.08 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 30 D 7.97 4.60 0.00 2.76 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 31 S 7.85 3.58 0.00 3.96 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 32 S 7.61 4.51 0.00 3.97 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 33 E 8.34 4.38 0.00 1.87 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 0.00 2.34 2.33 0.00 34 I 8.08 4.23 1.93 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 1.03 1.00 1.44 0.00 0.00 35 H 8.43 5.63 0.00 3.06 3.21 0.00 5.76 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.96 4.78 0.00 3.04 2.93 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 37 K 8.44 5.06 0.00 1.66 1.78 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.41 7.81 38 V 7.87 4.15 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 0.72 0.00 0.00 0.88 0.00 0.00 39 K 8.01 4.31 0.00 1.64 1.68 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.36 7.81 40 M 8.40 3.83 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.60 0.00 41 T 7.66 4.47 4.20 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 1.17 0.00 0.00 42 T 7.34 4.11 4.19 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 1.17 0.00 0.00 43 H 8.46 4.25 0.00 3.14 3.41 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.19 4.08 0.00 1.59 1.49 0.85 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.00 3.68 0.00 1.88 1.79 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.48 1.75 7.81 46 K 7.84 4.60 0.00 1.81 1.83 0.00 1.99 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.74 1.33 7.81 47 L 7.44 3.54 0.00 1.38 1.44 0.57 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.59 3.15 0.00 1.72 1.41 0.00 1.43 0.00 0.00 1.48 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.30 0.73 7.81 49 E 8.46 4.02 0.00 2.10 2.02 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 2.34 2.45 0.00 50 S 7.68 4.69 0.00 4.04 4.07 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 0.00 0.00 0.00 0.00 51 Y 7.65 4.79 0.00 3.30 3.22 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 52 C 8.30 4.19 0.00 3.20 3.34 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 53 Q 8.04 4.29 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 54 R 7.67 4.39 0.00 2.01 1.87 0.00 3.22 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.75 0.00 55 Q 7.82 4.31 0.00 1.44 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.04 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 56 G 7.91 4.20 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 57 V 7.44 3.95 2.11 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 0.76 0.00 0.00 0.96 0.00 0.00 58 P 0.00 4.67 0.00 2.21 2.09 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 1.99 1.96 0.00 59 M 8.72 4.27 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.66 0.00 60 N 8.18 4.76 0.00 2.88 2.92 0.00 0.00 5.88 7.64 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 61 S 8.13 4.72 0.00 3.95 4.15 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 62 L 7.97 5.26 0.00 1.34 1.14 1.11 0.81 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 63 R 8.78 4.71 0.00 1.69 1.80 0.00 3.27 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 64 F 8.87 5.12 0.00 3.00 2.92 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 65 L 9.48 5.29 0.00 1.75 1.64 0.79 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.97 4.89 0.00 3.04 2.95 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 67 E 8.57 3.48 0.00 1.94 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 1.47 1.95 0.00 68 G 8.01 4.11 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 0.00 0.00 0.00 69 Q 8.11 4.03 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 70 R 8.56 4.38 0.00 1.87 1.88 0.00 3.59 0.00 0.00 3.27 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 71 I 9.31 4.20 2.05 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.00 0.88 0.00 0.00 72 A 8.83 4.53 1.24 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 0.00 0.00 0.00 73 D 8.89 4.29 0.00 2.59 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 74 N 7.96 4.14 0.00 2.57 2.79 0.00 0.00 6.89 8.16 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 75 H 8.02 4.06 0.00 3.44 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.23 4.47 4.32 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 1.23 0.00 0.00 77 P 0.00 4.12 0.00 2.10 2.03 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 78 K 7.71 4.09 0.00 1.99 1.82 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.57 7.81 79 E 7.88 4.45 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.33 0.00 80 L 7.60 4.70 0.00 1.70 1.31 1.01 1.32 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 81 G 8.65 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 M 9.31 3.89 0.00 1.78 2.03 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.17 0.00 83 E 10.00 4.58 0.00 2.09 1.89 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 2.28 2.54 0.00 84 E 8.32 4.58 0.00 1.97 1.95 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 2.41 2.29 0.00 85 E 7.84 4.96 0.00 1.94 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 2.14 2.18 0.00 86 D 7.60 4.70 0.00 3.01 2.96 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 87 V 8.34 4.80 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 0.88 0.00 0.00 0.98 0.00 0.00 88 I 8.99 4.66 1.94 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.71 1.10 0.00 0.00 89 E 9.46 4.80 0.00 2.01 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 90 V 7.99 4.55 1.86 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 0.58 0.00 0.00 0.50 0.00 0.00 91 Y 8.38 5.00 0.00 2.88 2.74 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 92 Q 8.51 4.03 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 93 E 8.68 4.15 0.00 2.03 1.90 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 2.33 2.30 0.00 94 Q 8.62 4.72 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.49 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 95 T 8.10 4.72 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 96 G 8.22 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 0.00 0.00 0.00 0.00 97 G 8.49 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 0.00 0.00 0.00