NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9317 8.3393 109.7364 45.1226 0.0000 175.6053 3 K 3.9534 8.5780 124.5769 55.6170 33.3076 170.9209 4 V 4.5318 8.4591 119.9488 61.5081 35.9328 174.8427 5 Y 5.1442 8.8385 123.3460 56.0473 41.6156 174.5609 6 K 4.5528 8.3975 121.2965 54.4632 35.9001 174.8197 7 K 4.8690 8.4058 123.8739 54.6014 34.9254 175.8544 8 V 4.5733 8.6658 117.2861 59.4955 35.4364 174.0060 9 E 5.0153 8.7165 123.9535 54.7455 31.0694 174.8423 10 L 4.9060 9.1352 126.0595 52.8902 46.5051 175.8374 11 V 4.6523 8.2393 118.9509 61.2944 33.6370 174.5607 12 G 4.4914 9.2754 116.5200 44.8685 0.0000 171.3663 13 T 5.3645 7.9572 113.4524 60.1306 72.0693 173.0280 14 S 4.6329 8.5659 113.9397 58.2601 66.1634 176.2290 15 E 4.5919 9.1721 123.7799 56.9968 30.1278 177.0129 16 E 4.3030 8.4572 118.9459 57.2106 30.5322 176.1499 17 G 3.2564 7.0812 104.4228 44.3443 0.0000 173.1491 18 L 3.6950 7.3026 118.1268 57.8561 41.5033 179.1951 19 E 3.8754 8.0691 117.6825 59.4088 29.3402 179.0673 20 A 3.9058 7.9204 119.7602 55.3797 18.6012 179.3463 21 A 4.0960 7.8756 118.9810 55.3622 18.3803 180.0073 22 I 3.5455 7.6564 118.3024 64.6308 37.1185 178.6611 23 Q 3.8838 8.2826 118.9714 58.7846 28.5018 178.6821 24 A 3.8909 8.3483 122.0352 55.1136 18.5075 179.6068 25 A 3.9143 7.8061 118.7791 55.1708 18.5389 179.7619 26 L 3.8478 7.9393 117.3517 57.6059 41.4425 179.2482 27 A 3.9092 8.3164 120.1701 55.5303 18.6050 179.6163 28 R 3.9131 7.9678 116.3309 59.1662 30.0000 178.5677 29 A 4.0278 7.7863 120.7695 54.9041 18.1209 179.4968 30 R 3.7554 7.7793 116.5396 59.4403 30.1524 178.6760 31 K 4.1532 7.5799 116.4532 58.4963 32.0986 177.5935 32 T 4.5234 7.6611 105.1131 60.4431 70.2187 173.3991 33 L 4.4366 7.8794 122.4232 52.8398 44.0002 175.8766 34 R 4.4799 7.9124 120.6994 55.8331 32.7932 175.2096 35 H 4.2213 8.6191 115.1622 56.8049 25.7019 175.0899 36 L 4.5147 8.2381 119.0899 55.7007 41.9713 175.8251 37 D 5.1750 9.3856 123.4746 55.2521 42.4604 176.4692 38 W 5.5903 8.1222 113.1169 54.9753 32.3131 172.6700 39 F 5.3668 8.4239 113.7251 55.3399 41.0837 173.8572 40 E 4.6978 9.1995 118.3673 54.7835 33.7666 174.7708 41 V 4.2843 8.6385 124.5693 62.6525 31.9368 175.2530 42 K 4.4745 9.1061 127.7163 58.0240 33.3465 176.7288 43 E 4.8551 7.9622 116.9210 54.7095 34.5446 174.7035 44 I 4.9945 8.3733 121.6990 59.9991 40.3330 174.5957 45 R 4.6190 9.2327 125.1586 56.9317 32.9820 174.0762 46 G 4.3066 8.1702 106.1219 47.1049 0.0000 172.4684 47 T 4.6842 7.7722 110.6011 60.3087 71.4551 173.6770 48 I 4.8244 8.2131 122.3036 59.7694 40.4966 175.3993 49 G 4.2752 9.2658 115.2676 43.9021 0.0000 172.7113 50 E 3.8642 8.9079 117.2127 59.2787 29.4497 177.8783 51 A 4.4253 7.7633 118.6016 52.0044 20.0660 176.6519 52 G 4.0136 7.4858 103.1968 43.8204 0.0000 176.7984 53 V 3.8739 8.3039 126.4363 62.9975 31.3099 174.9013 54 K 4.1861 8.4808 129.8710 58.4009 32.4189 176.1744 55 E 4.8850 8.1178 118.0232 54.6282 33.2988 174.0591 56 Y 4.7383 9.4217 122.6694 57.0856 40.0707 174.5242 57 Q 5.0602 9.3094 122.8514 54.1189 32.2180 174.4826 58 V 4.7111 8.9779 124.9684 61.0819 34.0626 174.3015 59 V 4.6838 8.7321 129.0793 61.7639 33.1050 174.6629 60 L 5.1432 9.1311 127.0513 54.9095 44.5653 174.0236 61 E 5.1007 9.3692 119.6228 54.6806 32.3009 175.2407 62 V 4.4618 8.8234 124.2848 61.0373 34.1261 174.2862 63 G 3.0398 8.3553 116.1627 44.0790 0.0000 172.3831 64 F 5.7280 8.1965 118.4489 54.9340 41.8432 173.8043 65 R 4.1314 8.8781 121.4202 56.3984 30.5457 175.7840 66 L 4.7213 8.3140 126.0531 53.8095 43.0541 176.4972 67 E 4.3962 8.7347 121.3753 55.7035 30.9634 176.5249 68 E 4.2453 8.5094 119.0825 56.6568 29.7729 176.2573 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 2 G 8.34 3.93 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 0.00 0.00 0.00 3 K 8.58 3.95 0.00 1.66 1.63 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.54 7.81 4 V 8.46 4.53 2.01 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 1.09 0.00 0.00 0.91 0.00 0.00 5 Y 8.84 5.14 0.00 3.01 3.07 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 6 K 8.40 4.55 0.00 1.55 0.74 0.00 1.62 0.00 0.00 1.90 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.09 1.26 7.81 7 K 8.41 4.87 0.00 1.56 1.55 0.00 1.95 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.98 1.34 7.81 8 V 8.67 4.57 2.15 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 0.97 0.00 0.00 1.04 0.00 0.00 9 E 8.72 5.02 0.00 1.97 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 0.00 2.21 2.32 0.00 10 L 9.14 4.91 0.00 1.53 1.49 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.24 4.65 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 0.80 0.00 0.00 0.94 0.00 0.00 12 G 9.28 4.49 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 0.00 0.00 0.00 13 T 7.96 5.36 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 1.22 0.00 0.00 14 S 8.57 4.63 0.00 3.90 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 15 E 9.17 4.59 0.00 2.03 2.01 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 2.38 2.34 0.00 16 E 8.46 4.30 0.00 1.94 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 2.31 2.39 0.00 17 G 7.08 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 0.00 0.00 0.00 18 L 7.30 3.70 0.00 1.55 1.63 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.07 3.88 0.00 1.98 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 2.39 2.43 0.00 20 A 7.92 3.91 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.88 4.10 1.42 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 0.00 0.00 22 I 7.66 3.55 1.91 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 1.42 0.94 0.39 0.00 0.00 23 Q 8.28 3.88 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 24 A 8.35 3.89 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 25 A 7.81 3.91 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.94 3.85 0.00 1.73 1.64 0.52 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.32 3.91 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.97 3.91 0.00 1.93 1.90 0.00 3.11 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 29 A 7.79 4.03 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 30 R 7.78 3.76 0.00 1.93 2.11 0.00 3.25 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 31 K 7.58 4.15 0.00 1.92 1.82 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.58 7.81 32 T 7.66 4.52 4.16 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 1.16 0.00 0.00 33 L 7.88 4.44 0.00 1.42 0.84 0.49 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.91 4.48 0.00 1.57 1.50 0.00 3.24 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 0.00 35 H 8.62 4.22 0.00 3.66 3.53 0.00 5.63 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.24 4.51 0.00 1.70 1.71 0.89 1.01 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 37 D 9.39 5.18 0.00 3.11 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 38 W 8.12 5.59 0.00 3.24 3.14 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 0.00 39 F 8.42 5.37 0.00 3.01 2.94 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 0.00 0.00 0.00 40 E 9.20 4.70 0.00 1.93 1.88 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 2.40 2.39 0.00 41 V 8.64 4.28 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 0.88 0.00 0.00 1.13 0.00 0.00 42 K 9.11 4.47 0.00 1.67 1.86 0.00 1.64 0.00 0.00 1.92 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.47 7.81 43 E 7.96 4.86 0.00 1.88 1.79 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 2.31 2.34 0.00 44 I 8.37 4.99 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.64 1.00 0.00 0.00 45 R 9.23 4.62 0.00 1.80 2.03 0.00 2.88 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.74 0.00 46 G 8.17 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 0.00 0.00 0.00 0.00 47 T 7.77 4.68 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 1.19 0.00 0.00 48 I 8.21 4.82 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.63 0.93 0.00 0.00 49 G 9.27 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 50 E 8.91 3.86 0.00 1.96 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 2.31 2.30 0.00 51 A 7.76 4.43 1.26 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 0.00 0.00 52 G 7.49 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 53 V 8.30 3.87 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.68 0.00 0.00 54 K 8.48 4.19 0.00 1.84 1.73 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.39 7.81 55 E 8.12 4.89 0.00 1.92 1.77 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 2.22 2.24 0.00 56 Y 9.42 4.74 0.00 2.95 2.85 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 57 Q 9.31 5.06 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 58 V 8.98 4.71 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 1.09 0.00 0.00 0.95 0.00 0.00 59 V 8.73 4.68 2.19 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 1.04 0.00 0.00 0.95 0.00 0.00 60 L 9.13 5.14 0.00 1.96 1.76 0.83 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.37 5.10 0.00 1.85 1.79 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 2.23 2.23 0.00 62 V 8.82 4.46 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 0.99 0.00 0.00 0.91 0.00 0.00 63 G 8.36 3.04 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 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.20 5.73 0.00 3.44 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 65 R 8.88 4.13 0.00 1.98 1.91 0.00 3.10 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.02 0.00 66 L 8.31 4.72 0.00 1.63 1.58 0.92 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.73 4.40 0.00 1.99 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 2.38 2.44 0.00 68 E 8.51 4.25 0.00 1.93 1.83 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 2.22 2.25 0.00