NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2710 8.0433 122.7453 54.9909 44.1088 174.9692 2 Q 4.8498 8.3446 124.3986 52.4557 30.9708 173.1027 3 I 4.6339 9.0696 117.7547 58.9461 42.1190 173.7439 4 F 5.4077 8.7776 121.4410 55.7507 42.2173 174.7786 5 V 4.8453 9.1915 122.7641 61.1810 33.9630 174.4097 6 K 5.0281 9.0720 128.3613 55.6891 34.1602 176.3728 7 T 4.9761 8.4664 113.9622 59.7572 71.6089 175.2897 8 L 4.1695 8.6527 120.8102 56.8085 41.7380 178.1048 9 T 4.2784 7.9316 107.4476 61.2845 69.1800 175.3626 10 G 3.9527 8.1589 110.8127 44.9472 0.0000 173.7193 11 K 4.2803 7.9428 121.2851 56.3150 33.6766 175.5082 12 T 5.0459 8.4183 122.5582 62.0087 70.6472 173.6395 13 I 4.4724 9.0087 127.7801 60.0813 39.3466 174.6813 14 T 5.0690 8.6012 123.6156 62.1062 70.2433 174.0967 15 L 4.8111 8.6385 125.3936 52.8133 45.6762 174.9339 16 E 4.9496 8.6805 123.4656 55.1560 30.6465 175.3317 17 V 4.6775 8.6160 119.3708 59.9701 36.4823 174.4458 18 E 4.6162 9.5117 121.8418 54.3483 31.1516 176.1561 19 P 4.1686 0.0000 0.0000 65.5990 31.4100 177.8268 20 S 4.5056 7.8233 112.2459 57.8839 63.3515 173.6967 21 D 4.3979 7.9164 122.0360 55.1482 41.3320 176.8116 22 T 4.7009 8.2376 113.3592 61.3004 71.2257 175.9328 23 I 3.7401 8.4083 122.8282 64.2847 37.0441 178.3441 24 E 3.9174 8.2881 120.3557 59.5512 29.5617 178.7207 25 N 4.3353 8.1952 116.3311 56.3370 38.5728 177.6288 26 V 3.6081 7.7001 119.5099 65.8548 31.5569 178.1614 27 K 4.3274 8.6379 119.6967 58.9522 31.8635 179.1665 28 A 4.0407 8.0219 120.9387 55.0135 18.2806 179.8866 29 K 3.9828 7.9159 116.7043 59.5775 32.0026 179.7221 30 I 3.7579 7.9727 120.3227 64.1682 36.9913 178.0570 31 Q 4.1596 8.3623 122.2577 58.7913 28.6233 178.3773 32 D 4.3788 7.8552 118.5959 57.2947 40.9326 178.6598 33 K 4.1831 8.0667 117.9751 58.7498 32.2441 177.8012 34 E 4.4922 8.4158 114.9031 55.3037 31.3091 177.0963 35 G 3.9105 8.6590 107.3351 45.2585 0.0000 173.2755 36 I 4.1600 7.3603 121.3501 59.1813 38.2590 173.6500 37 P 4.4473 0.0000 0.0000 61.9229 32.0956 175.5841 38 P 4.2894 0.0000 0.0000 65.7329 31.3943 178.1389 39 D 4.4939 8.0334 115.5945 55.2854 39.7300 176.7212 40 Q 4.5515 8.0659 117.9462 55.7278 29.5440 174.9397 41 Q 4.9331 7.9102 118.5160 54.9167 30.7812 175.0596 42 R 4.7600 8.9059 121.4733 54.4239 34.1431 174.2565 43 L 5.3140 8.5498 122.7770 53.0600 45.1170 175.3946 44 I 5.0874 8.6595 122.1469 59.5440 41.5542 174.2196 45 F 5.0364 8.6644 127.4508 56.5715 42.4070 174.6125 46 A 3.5027 9.3817 129.9361 53.1277 15.7379 177.8367 47 G 3.9311 8.3569 108.0227 46.3387 0.0000 174.2044 48 K 4.3838 7.8908 120.5710 55.1207 33.2750 175.6245 49 Q 4.5365 8.5447 122.9542 55.5722 29.3273 175.3845 50 L 4.0823 8.4307 124.7606 53.5101 43.3476 175.9373 51 E 4.6485 9.0129 122.4171 54.6929 31.5069 177.0311 52 D 4.3502 9.0659 123.7174 57.3709 41.1198 178.1706 53 G 3.9206 8.0511 105.1284 45.3184 0.0000 173.1355 54 R 4.5985 7.9674 119.4059 54.3335 32.5068 175.5879 55 T 4.9840 8.2993 110.0081 60.0061 70.9819 175.1640 56 L 4.2047 8.5225 122.5471 58.2266 41.9896 180.3421 57 S 4.1632 8.1526 114.6203 61.5516 62.9182 176.4604 58 D 4.2370 7.8125 119.4849 56.8732 40.1048 176.7465 59 Y 4.5882 7.9147 114.9494 57.0325 38.1454 175.4362 60 N 4.2216 7.8788 116.0842 54.2520 36.6995 174.4541 61 I 3.3883 6.9746 115.3478 60.9213 37.9750 175.6853 62 Q 4.6135 8.5606 123.5948 53.1527 32.2863 174.0855 63 K 3.7656 8.5703 118.6790 58.8179 32.0292 176.0087 64 E 3.6313 9.0924 124.5188 57.2236 27.6765 174.8024 65 S 4.5212 7.8300 115.2194 59.1684 64.1650 173.2422 66 T 5.1260 8.6874 119.1780 62.1179 70.1900 174.0072 67 L 5.0259 9.0927 126.0508 53.4172 45.5278 174.8334 68 H 5.3462 9.0808 117.4711 54.0715 31.8316 172.9526 69 L 5.0215 8.7064 125.2094 53.6889 43.3237 175.5802 70 V 4.7216 9.0013 125.7543 60.9103 35.5186 173.5142 71 L 5.4028 8.3528 122.2076 53.8817 43.6562 175.8219 72 R 4.4631 8.8221 119.0933 55.1586 32.5218 175.2183 73 L 4.3710 8.7136 126.1741 56.0120 43.4259 176.6765 74 R 4.0919 7.9108 118.2480 56.3958 29.3144 176.1877 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 1 L 8.04 4.27 0.00 1.73 1.60 0.88 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 2 Q 8.34 4.85 0.00 1.93 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.63 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 3 I 9.07 4.63 1.73 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.75 0.75 0.00 0.00 4 F 8.78 5.41 0.00 3.09 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 5 V 9.19 4.85 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 0.94 0.00 0.00 6 K 9.07 5.03 0.00 1.77 1.75 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.54 7.81 7 T 8.47 4.98 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 1.26 0.00 0.00 8 L 8.65 4.17 0.00 1.66 1.77 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.93 4.28 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 10 G 8.16 3.95 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 0.00 0.00 0.00 11 K 7.94 4.28 0.00 1.90 1.69 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.43 7.81 12 T 8.42 5.05 4.22 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 1.21 0.00 0.00 13 I 9.01 4.47 1.91 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 1.25 0.72 0.93 0.00 0.00 14 T 8.60 5.07 4.33 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 1.25 0.00 0.00 15 L 8.64 4.81 0.00 1.49 1.46 0.90 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.68 4.95 0.00 1.91 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 2.20 2.35 0.00 17 V 8.62 4.68 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 0.68 0.00 0.00 0.85 0.00 0.00 18 E 9.51 4.62 0.00 1.84 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 2.25 2.22 0.00 19 P 0.00 4.17 0.00 2.18 2.28 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 20 S 7.82 4.51 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 21 D 7.92 4.40 0.00 2.86 2.60 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 0.00 0.00 0.00 0.00 22 T 8.24 4.70 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 1.22 0.00 0.00 23 I 8.41 3.74 2.17 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 1.79 1.05 0.91 0.00 0.00 24 E 8.29 3.92 0.00 2.25 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 2.32 2.41 0.00 25 N 8.20 4.34 0.00 2.97 2.84 0.00 0.00 6.71 7.25 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 26 V 7.70 3.61 2.20 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 1.01 0.00 0.00 0.96 0.00 0.00 27 K 8.64 4.33 0.00 2.01 1.85 0.00 1.80 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.63 1.47 7.81 28 A 8.02 4.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.92 3.98 0.00 1.98 1.86 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.63 7.81 30 I 7.97 3.76 2.13 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 0.73 0.96 0.00 0.00 31 Q 8.36 4.16 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 32 D 7.86 4.38 0.00 2.88 2.71 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 0.00 0.00 0.00 0.00 33 K 8.07 4.18 0.00 1.88 1.88 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.62 1.63 7.81 34 E 8.42 4.49 0.00 2.04 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 2.23 2.36 0.00 35 G 8.66 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.36 4.16 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 1.42 1.15 0.91 0.00 0.00 37 P 0.00 4.45 0.00 2.32 1.97 0.00 3.61 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.29 0.00 2.17 2.11 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 39 D 8.03 4.49 0.00 2.78 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.07 4.55 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.93 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 41 Q 7.91 4.93 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 42 R 8.91 4.76 0.00 1.68 1.77 0.00 3.24 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 43 L 8.55 5.31 0.00 1.53 1.50 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.66 5.09 1.93 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 1.11 0.86 0.93 0.00 0.00 45 F 8.66 5.04 0.00 2.99 2.81 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 46 A 9.38 3.50 0.49 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 47 G 8.36 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 48 K 7.89 4.38 0.00 1.93 1.78 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.44 1.63 7.81 49 Q 8.54 4.54 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 50 L 8.43 4.08 0.00 1.35 1.19 0.76 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.01 4.65 0.00 2.07 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 2.31 2.39 0.00 52 D 9.07 4.35 0.00 2.76 2.91 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 0.00 0.00 0.00 53 G 8.05 3.92 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 0.00 0.00 0.00 54 R 7.97 4.60 0.00 2.22 1.70 0.00 3.11 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 55 T 8.30 4.98 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 1.25 0.00 0.00 56 L 8.52 4.20 0.00 1.93 1.69 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.15 4.16 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 58 D 7.81 4.24 0.00 2.45 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 0.00 0.00 0.00 59 Y 7.91 4.59 0.00 3.26 3.09 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 60 N 7.88 4.22 0.00 3.04 3.04 0.00 0.00 6.94 7.56 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 61 I 6.97 3.39 1.79 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.12 0.58 0.00 0.00 62 Q 8.56 4.61 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.87 0.00 0.00 0.00 0.00 0.00 2.25 2.46 0.00 63 K 8.57 3.77 0.00 1.68 1.75 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.46 7.81 64 E 9.09 3.63 0.00 2.21 2.30 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 2.16 2.26 0.00 65 S 7.83 4.52 0.00 3.69 3.77 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 0.00 0.00 0.00 66 T 8.69 5.13 4.34 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 1.20 0.00 0.00 67 L 9.09 5.03 0.00 1.59 1.57 0.79 0.74 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 68 H 9.08 5.35 0.00 3.05 3.16 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.71 5.02 0.00 1.64 1.58 0.93 0.99 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 70 V 9.00 4.72 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 0.94 0.00 0.00 0.93 0.00 0.00 71 L 8.35 5.40 0.00 1.69 1.59 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.82 4.46 0.00 1.86 1.76 0.00 3.06 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 73 L 8.71 4.37 0.00 1.66 1.68 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.91 4.09 0.00 1.91 1.92 0.00 3.06 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 1.60 1.63 0.00