NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 A 4.2959 8.2644 123.5828 51.7087 19.9448 176.3510 22 E 3.9089 8.7108 123.8327 54.9019 30.3722 173.8262 23 L 4.7531 9.2182 128.3606 53.5895 45.7240 174.4635 24 R 5.0990 7.8435 121.7114 55.7634 29.3757 180.2753 25 C 4.4857 8.8653 124.3646 57.7151 40.5399 173.2536 26 L 3.9327 9.1261 124.5627 56.5351 41.7209 176.2996 27 C 4.6332 8.2900 116.1888 55.4736 39.4698 173.5885 28 I 3.8694 8.3218 126.0961 63.3357 37.1571 177.0458 29 K 4.7055 7.7708 117.0433 54.7453 34.6703 175.3717 30 T 4.9626 8.1495 116.9146 62.1115 72.5194 173.3441 31 T 4.6584 8.2851 116.0072 60.8519 70.4351 174.4784 32 S 4.5752 8.7767 121.6817 58.1090 63.6173 174.3003 33 G 4.0295 7.9624 110.4040 43.5684 0.0000 172.6301 34 I 4.6783 7.8981 117.9896 58.7613 41.1441 174.0525 35 H 4.7491 8.4355 120.8059 53.9360 31.1691 174.2664 36 P 4.3299 0.0000 0.0000 65.6452 31.3513 178.4962 37 K 4.1815 8.3642 115.7241 58.4222 32.2930 177.3288 38 N 4.5920 8.0451 115.4667 53.9668 39.0839 174.8199 39 I 4.2001 7.3427 120.5473 61.0270 37.6652 175.1691 40 Q 4.5034 9.1106 127.7186 57.8121 30.2333 175.4256 41 S 4.7724 7.6664 111.0231 57.1776 66.6966 173.1343 42 L 5.2261 8.3537 119.5311 52.9515 45.3147 175.5035 43 E 4.6066 9.1456 124.2525 54.3352 32.2232 174.4732 44 V 4.6410 8.4833 126.9289 61.4070 33.3542 174.6191 45 I 4.3315 8.7664 130.4905 59.5751 38.5960 176.1791 46 G 4.1759 8.6517 114.6036 45.2143 0.0000 172.8489 47 K 4.3234 8.6542 119.6139 57.3148 32.5134 177.1045 48 G 4.0230 8.6503 112.4438 44.5348 0.0000 170.9293 49 T 3.4998 8.0292 105.6272 65.1208 69.6221 173.9732 50 H 4.6367 8.2298 117.9430 51.7858 28.2557 176.7736 51 C 5.9138 7.1791 132.7179 57.8420 45.5080 172.6760 52 N 4.9710 8.0591 131.5416 52.3733 38.6784 174.2040 53 Q 4.6739 7.3884 113.3552 54.9755 31.8659 174.7472 54 V 4.2139 8.2783 120.4218 62.5999 32.8310 174.9586 55 E 4.8026 9.1374 125.5626 54.4785 33.6691 174.9169 56 V 4.8145 8.3527 122.3262 61.2726 34.7422 173.8975 57 I 4.9355 8.5985 128.9788 59.5603 39.6635 174.5834 58 A 4.9524 9.2468 129.7048 50.9327 21.3558 175.6627 59 T 4.9152 8.8493 118.6370 61.8736 70.6225 174.8905 60 L 4.7825 9.0916 127.0770 53.9131 42.9110 178.5012 61 K 3.9508 9.3475 120.6581 58.8557 31.9972 177.9182 62 D 4.6360 8.1317 116.7335 52.6991 39.5715 177.3946 63 G 3.9448 8.2774 108.0084 45.7855 0.0000 174.5834 64 R 4.1694 7.8745 118.7249 55.8696 30.7736 175.3063 65 K 5.1471 8.4251 119.4672 54.7708 34.7011 175.6372 66 I 4.6049 8.5004 125.0813 59.5185 41.2592 174.1055 67 C 4.9794 8.7732 123.7915 56.6823 41.0310 172.8425 68 L 5.0778 9.1079 125.3886 53.2697 43.6192 176.2381 69 D 4.7283 8.4758 121.8767 52.7499 41.3894 175.4671 70 P 4.4019 0.0000 0.0000 64.7331 31.6929 176.8754 71 D 4.4935 8.0621 117.9041 55.3545 41.6708 176.6927 72 A 4.1160 7.6806 123.7569 51.2243 18.8406 176.1939 73 P 4.2111 0.0000 0.0000 66.1197 31.3257 178.7337 74 R 3.9213 7.9306 116.7719 59.3244 30.0403 178.5911 75 I 3.7381 7.9037 119.8516 64.1732 37.2678 178.2326 76 K 3.8840 8.0882 118.9070 59.5336 31.9135 179.0415 77 K 3.9533 8.1432 119.5614 59.5100 32.1005 178.9017 78 I 3.6688 7.6527 120.1401 64.3079 36.9260 178.2887 79 V 3.5659 7.8164 118.9310 66.4388 31.3846 177.9945 80 Q 3.9862 7.9452 116.9567 59.0979 28.5289 179.3516 81 K 4.0632 8.1029 119.3502 59.2340 32.1648 179.6293 82 K 4.0364 8.3090 119.1081 59.0292 31.6785 179.1688 83 L 3.9090 8.0084 119.9852 58.1703 42.2796 178.7180 84 A 4.2070 7.9480 118.1078 52.4411 18.2715 177.6160 85 G 3.8752 7.5256 104.7620 46.3061 0.0000 173.7850 86 D 4.4904 8.6544 125.1268 53.0731 39.6475 176.0390 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 21 A 8.26 4.30 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 22 E 8.71 3.91 0.00 2.03 1.87 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 2.32 2.39 0.00 23 L 9.22 4.75 0.00 1.61 1.55 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.84 5.10 0.00 1.79 0.89 0.00 3.37 0.00 0.00 4.01 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 25 C 8.87 4.49 0.00 2.94 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 26 L 9.13 3.93 0.00 1.59 1.70 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 27 C 8.29 4.63 0.00 3.08 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.32 3.87 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.46 0.91 0.00 0.00 29 K 7.77 4.71 0.00 1.70 1.68 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.41 7.81 30 T 8.15 4.96 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 31 T 8.29 4.66 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 32 S 8.78 4.58 0.00 3.88 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 33 G 7.96 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.90 4.68 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.64 0.92 0.00 0.00 35 H 8.44 4.75 0.00 3.25 3.19 0.00 5.88 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.33 0.00 2.22 2.08 0.00 3.24 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 37 K 8.36 4.18 0.00 1.70 1.87 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.59 7.81 38 N 8.05 4.59 0.00 2.90 2.85 0.00 0.00 6.86 7.71 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 39 I 7.34 4.20 2.01 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 1.19 0.48 0.97 0.00 0.00 40 Q 9.11 4.50 0.00 2.01 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.66 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 41 S 7.67 4.77 0.00 3.89 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 42 L 8.35 5.23 0.00 1.49 1.56 0.92 0.82 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 43 E 9.15 4.61 0.00 2.01 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 2.19 2.21 0.00 44 V 8.48 4.64 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 0.87 0.00 0.00 0.93 0.00 0.00 45 I 8.77 4.33 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.50 0.92 0.00 0.00 46 G 8.65 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 47 K 8.65 4.32 0.00 1.66 1.79 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.47 7.81 48 G 8.65 4.02 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 0.00 0.00 0.00 49 T 8.03 3.50 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 50 H 8.23 4.64 0.00 3.33 3.60 0.00 5.61 0.00 0.00 0.00 0.00 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.18 5.91 0.00 3.07 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 52 N 8.06 4.97 0.00 2.73 2.77 0.00 0.00 7.03 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 53 Q 7.39 4.67 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.69 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 54 V 8.28 4.21 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 0.93 0.00 0.00 55 E 9.14 4.80 0.00 1.90 1.76 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 0.00 2.20 2.20 0.00 56 V 8.35 4.81 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 1.02 0.00 0.00 0.93 0.00 0.00 57 I 8.60 4.94 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.54 0.91 0.00 0.00 58 A 9.25 4.95 1.21 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 0.00 0.00 59 T 8.85 4.92 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 1.27 0.00 0.00 60 L 9.09 4.78 0.00 1.79 1.70 0.92 0.90 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 61 K 9.35 3.95 0.00 1.70 1.88 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.38 7.81 62 D 8.13 4.64 0.00 2.75 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 63 G 8.28 3.94 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 0.00 0.00 0.00 64 R 7.87 4.17 0.00 1.99 1.86 0.00 3.07 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 65 K 8.43 5.15 0.00 1.60 1.69 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.42 7.81 66 I 8.50 4.60 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.63 0.91 0.00 0.00 67 C 8.77 4.98 0.00 2.99 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 68 L 9.11 5.08 0.00 1.46 1.58 0.92 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.48 4.73 0.00 2.76 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.40 0.00 2.21 2.16 0.00 3.80 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 71 D 8.06 4.49 0.00 2.72 2.76 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 0.00 0.00 0.00 0.00 72 A 7.68 4.12 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 73 P 0.00 4.21 0.00 2.16 2.13 0.00 3.60 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 74 R 7.93 3.92 0.00 1.86 1.92 0.00 3.16 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 75 I 7.90 3.74 2.12 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.15 0.94 0.00 0.00 76 K 8.09 3.88 0.00 1.93 1.87 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.53 1.68 7.81 77 K 8.14 3.95 0.00 2.04 1.95 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.47 7.81 78 I 7.65 3.67 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.66 0.91 0.00 0.00 79 V 7.82 3.57 2.22 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 1.12 0.00 0.00 0.97 0.00 0.00 80 Q 7.95 3.99 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 81 K 8.10 4.06 0.00 1.79 2.10 0.00 1.97 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.70 1.61 7.81 82 K 8.31 4.04 0.00 1.92 1.86 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.59 7.81 83 L 8.01 3.91 0.00 1.82 1.79 0.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 84 A 7.95 4.21 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.53 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 0.00 0.00 0.00 86 D 8.65 4.49 0.00 2.72 2.65 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 0.00 0.00 0.00 0.00