NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3391 8.1233 122.4602 51.6702 20.6524 175.8618 2 T 4.0647 8.4277 118.5584 63.3890 68.9845 172.2988 3 Q 4.4771 9.7322 126.0171 54.1537 33.7015 174.0802 4 T 5.2142 8.3541 117.7629 61.7874 71.5791 173.7748 5 V 4.6190 9.0636 125.7277 60.2008 35.2079 174.4835 6 T 5.0483 8.5071 119.3275 62.0623 70.8876 173.2997 7 L 5.2131 9.2262 126.0038 53.0300 45.0673 175.6301 8 S 4.7903 9.0032 119.9160 57.8164 64.6607 173.7173 9 V 4.6533 9.0262 125.1620 59.8970 30.8881 173.9633 10 P 4.2687 0.0000 0.0000 64.9017 31.6152 178.4761 11 G 3.9376 8.0402 105.3839 46.4056 0.0000 174.2370 12 M 4.3034 7.8591 121.6001 54.8853 29.9992 175.6425 13 T 4.5234 7.8905 107.9270 60.8925 71.0963 173.8455 14 C 5.1194 7.9856 117.5972 53.3254 44.0222 174.8879 15 S 3.4735 8.6665 115.9931 60.9210 62.7750 174.9969 16 A 4.3871 7.7922 121.7004 52.5760 19.6736 179.1741 17 C 3.9768 8.0579 114.4762 59.5650 41.1788 174.2021 18 P 4.1514 0.0000 0.0000 65.8941 30.8689 178.6506 19 I 3.7878 7.6971 118.3213 64.2486 36.9862 178.5613 20 T 3.8472 7.6844 116.4432 66.5751 68.2924 176.6339 21 V 3.5297 7.6064 120.0690 65.6233 31.5547 177.8104 22 K 3.8506 8.1113 119.4454 59.5426 32.0452 178.4515 23 K 3.8277 8.3245 118.6659 59.7641 31.8620 178.8371 24 A 4.0192 7.6875 119.1612 55.5719 18.4266 179.4881 25 I 3.8621 7.9823 118.0349 64.5800 37.0391 178.8597 26 S 4.1540 8.1005 115.0500 61.3435 62.6822 176.6018 27 K 4.2490 7.9007 120.3470 57.5812 31.9857 177.3385 28 V 3.6223 7.6899 120.8656 61.9651 31.5054 174.6844 29 E 4.0324 8.7865 128.7438 58.3702 29.6229 176.4558 30 G 4.1130 9.0650 113.1072 45.3609 0.0000 173.0970 31 V 4.3991 7.6219 120.2445 62.7115 32.2881 175.5603 32 S 4.6577 8.9755 122.7799 60.1211 64.5200 174.8645 33 K 4.4931 7.5934 118.4751 55.3440 35.5422 174.5382 34 V 4.9487 8.4867 126.4689 61.3063 34.2833 173.9938 35 D 5.0838 9.0753 127.2690 52.5680 44.0901 175.3889 36 V 4.9337 8.4714 115.2738 59.8998 35.1435 175.4068 37 T 4.4941 8.9455 119.7990 61.8828 71.5052 174.7768 38 F 3.9983 9.1391 129.5331 61.1751 39.8552 176.6719 39 E 3.8614 8.5070 119.9496 58.8875 29.4264 177.2895 40 T 4.3203 7.7493 105.0011 60.3162 69.7462 174.3531 41 R 3.5983 7.5613 120.3187 57.5463 28.2990 174.8220 42 Q 5.1616 8.1862 114.1943 54.4970 33.4124 175.3127 43 A 5.1185 8.9140 121.1459 50.2205 22.6724 175.0662 44 V 4.6260 8.9138 123.1530 61.2046 33.7281 174.5475 45 V 4.9774 9.1617 128.6519 61.4765 34.3786 174.0486 46 T 5.1888 9.0750 125.4895 61.9852 70.6345 173.7593 47 F 5.2392 8.9302 120.6325 55.9072 42.3142 172.5310 48 D 5.2115 9.2604 120.3752 52.7953 41.7903 176.6855 49 D 5.4071 9.2710 125.5376 54.3425 39.8412 177.2231 50 A 4.2480 8.1982 122.7663 53.7931 18.8325 178.2620 51 K 4.4172 8.1343 114.3952 57.5867 34.1884 175.5570 52 T 4.5159 7.5162 111.2237 60.5608 70.2501 171.2304 53 S 4.9102 7.8650 115.9423 55.9937 67.0777 174.8230 54 V 3.3478 8.1913 120.6141 66.0513 31.0904 177.5509 55 Q 3.9177 7.9389 118.8920 59.1089 28.9541 178.2474 56 K 3.9549 7.6500 118.2646 59.1157 32.0123 179.4384 57 L 3.8939 7.8232 119.7005 58.0177 41.5743 179.6806 58 T 3.9591 8.1903 109.9715 64.2925 68.7117 176.7061 59 K 3.8837 8.2964 122.7358 59.3268 32.1182 178.5045 60 A 4.0184 7.9138 121.3678 55.4586 18.1655 179.7681 61 T 3.9003 7.9773 108.0316 64.9278 68.8824 176.8410 62 A 4.0609 8.1089 123.7600 54.8300 18.1576 179.1011 63 D 4.3226 8.0497 116.4124 57.5873 41.0810 178.4718 64 A 4.3376 7.5151 117.9892 52.1428 18.7708 177.4684 65 G 3.5354 7.6718 104.7198 45.4581 0.0000 174.5332 66 Y 4.6823 7.9476 117.2513 54.4795 38.2480 172.9879 67 P 4.3663 0.0000 0.0000 63.1878 32.3538 175.5691 68 S 5.0637 8.4200 114.3797 56.7397 66.6047 172.3778 69 S 4.7309 8.2935 113.3776 56.3787 66.8041 173.2462 70 V 4.0946 8.3172 120.5479 62.6813 31.7337 175.5485 71 K 4.4124 9.1517 129.8341 56.0712 32.8624 176.5609 72 Q 4.1719 8.5450 122.9874 56.4917 28.8669 175.6727 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 A 8.12 4.34 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 2 T 8.43 4.06 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 1.12 0.00 0.00 3 Q 9.73 4.48 0.00 0.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 1.87 2.20 0.00 4 T 8.35 5.21 4.21 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 1.23 0.00 0.00 5 V 9.06 4.62 2.33 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 1.03 0.00 0.00 1.00 0.00 0.00 6 T 8.51 5.05 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 7 L 9.23 5.21 0.00 1.52 1.52 0.90 1.03 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 8 S 9.00 4.79 0.00 3.75 3.76 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 9 V 9.03 4.65 2.05 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 1.04 0.00 0.00 0.92 0.00 0.00 10 P 0.00 4.27 0.00 2.22 2.17 0.00 4.00 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 2.00 1.97 0.00 11 G 8.04 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 12 M 7.86 4.30 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 13 T 7.89 4.52 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 1.21 0.00 0.00 14 C 7.99 5.12 0.00 3.17 3.33 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 15 S 8.67 3.47 0.00 3.80 3.87 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 0.00 0.00 0.00 16 A 7.79 4.39 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 17 C 8.06 3.98 0.00 3.25 2.88 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 18 P 0.00 4.15 0.00 2.17 2.15 0.00 3.66 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 19 I 7.70 3.79 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 1.51 0.69 0.90 0.00 0.00 20 T 7.68 3.85 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 1.36 0.00 0.00 21 V 7.61 3.53 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 0.97 0.00 0.00 0.70 0.00 0.00 22 K 8.11 3.85 0.00 1.95 1.93 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.49 7.81 23 K 8.32 3.83 0.00 2.00 1.87 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.73 7.81 24 A 7.69 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.98 3.86 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 1.50 0.82 0.89 0.00 0.00 26 S 8.10 4.15 0.00 4.03 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 27 K 7.90 4.25 0.00 1.91 1.88 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.60 7.81 28 V 7.69 3.62 2.16 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 0.87 0.00 0.00 0.96 0.00 0.00 29 E 8.79 4.03 0.00 1.95 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 2.31 2.41 0.00 30 G 9.06 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 31 V 7.62 4.40 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 0.90 0.00 0.00 0.99 0.00 0.00 32 S 8.98 4.66 0.00 3.90 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 33 K 7.59 4.49 0.00 1.81 1.62 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.42 7.81 34 V 8.49 4.95 2.09 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 0.89 0.00 0.00 0.95 0.00 0.00 35 D 9.08 5.08 0.00 2.65 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.47 4.93 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 0.74 0.00 0.00 1.00 0.00 0.00 37 T 8.95 4.49 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 1.26 0.00 0.00 38 F 9.14 4.00 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 39 E 8.51 3.86 0.00 2.05 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 2.29 2.32 0.00 40 T 7.75 4.32 4.21 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 1.19 0.00 0.00 41 R 7.56 3.60 0.00 1.92 2.07 0.00 2.96 0.00 0.00 3.32 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.39 0.00 42 Q 8.19 5.16 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 43 A 8.91 5.12 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 44 V 8.91 4.63 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 0.94 0.00 0.00 0.94 0.00 0.00 45 V 9.16 4.98 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 1.10 0.00 0.00 0.95 0.00 0.00 46 T 9.08 5.19 4.27 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 1.18 0.00 0.00 47 F 8.93 5.24 0.00 3.19 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 48 D 9.26 5.21 0.00 2.78 2.66 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 49 D 9.27 5.41 0.00 2.98 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 50 A 8.20 4.25 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.13 4.42 0.00 1.95 1.89 0.00 1.90 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.41 1.37 7.81 52 T 7.52 4.52 4.43 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 0.00 0.00 0.00 1.15 0.00 0.00 53 S 7.87 4.91 0.00 4.03 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 54 V 8.19 3.35 2.09 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 1.09 0.00 0.00 1.02 0.00 0.00 55 Q 7.94 3.92 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 56 K 7.65 3.95 0.00 1.93 1.77 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.58 7.81 57 L 7.82 3.89 0.00 1.72 1.59 0.43 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.19 3.96 4.37 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 1.21 0.00 0.00 59 K 8.30 3.88 0.00 1.86 1.93 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.49 7.81 60 A 7.91 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.98 3.90 4.41 0.00 0.00 0.00 0.00 0.00 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 62 A 8.11 4.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.05 4.32 0.00 2.93 2.77 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 64 A 7.52 4.34 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.67 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.95 4.68 0.00 2.90 2.87 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 0.00 0.00 0.00 67 P 0.00 4.37 0.00 2.04 2.01 0.00 3.64 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 2.01 2.08 0.00 68 S 8.42 5.06 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 69 S 8.29 4.73 0.00 3.86 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 70 V 8.32 4.09 2.09 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 0.77 0.00 0.00 0.95 0.00 0.00 71 K 9.15 4.41 0.00 1.87 1.71 0.00 1.86 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.24 7.81 72 Q 8.54 4.17 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.42 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00