NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5460 8.3193 115.4155 58.2111 64.4318 173.6577 3 T 4.1431 8.6180 112.9961 60.6366 70.8739 174.4545 4 I 3.8318 8.4283 122.2287 64.5883 37.5537 179.4233 5 E 3.9448 8.1982 119.5792 59.4588 29.4286 178.6017 6 E 4.0263 8.2529 118.6077 59.3312 29.5132 179.3451 7 R 3.9296 8.4034 119.0830 59.3592 30.2012 178.6934 8 V 3.7773 8.2833 118.3976 66.1143 31.4704 178.2104 9 K 4.0477 8.2028 118.2241 59.1690 31.8516 179.1255 10 K 3.8915 8.4300 120.3361 59.7887 32.0272 178.9032 11 I 3.7254 7.8769 119.8814 64.2903 36.9485 178.4744 12 I 3.6474 7.9855 120.8423 64.2742 36.9837 178.6068 13 G 3.6502 8.3945 106.8354 47.8585 0.0000 175.5202 14 E 3.9627 8.0453 119.9321 59.3305 29.6208 179.2585 15 Q 4.0887 8.1176 116.9027 58.5688 28.8846 178.0774 16 L 4.2993 8.0197 117.6843 53.8212 42.8101 176.4670 17 G 3.8575 7.9869 106.7022 47.0377 0.0000 173.6516 18 V 4.5578 7.2985 109.3079 58.5987 35.8343 176.4864 19 K 4.1887 8.3174 120.9621 56.3358 32.8274 178.2840 20 Q 3.9724 8.8929 121.4447 59.2358 28.9249 178.9038 21 E 3.9467 8.3331 117.2312 59.2581 29.5511 177.5084 22 E 4.1978 8.2345 116.2348 57.7466 30.3471 177.4957 23 V 4.0397 7.3303 121.3855 61.6128 30.0920 175.3031 24 T 4.4178 7.3389 113.3108 60.3656 70.9246 176.3623 25 N 4.2906 8.8510 120.7072 56.6272 38.6869 177.0650 26 N 4.3809 8.0657 113.3566 54.5555 38.0065 175.2131 27 A 4.1708 8.0765 124.3446 52.1213 19.1233 176.2154 28 S 4.5813 9.2026 118.5383 56.9407 63.6863 174.6836 29 F 4.4910 8.3888 127.5537 61.0617 39.0672 178.0195 30 V 3.9418 7.8186 117.3587 65.3265 31.5784 177.0832 31 E 4.1958 8.0584 117.6713 58.3140 29.5591 177.4824 32 D 4.8394 8.2760 116.9869 54.5628 43.0600 176.8965 33 L 4.5703 8.0005 116.0340 54.0017 42.0474 176.6244 34 G 3.8938 8.3442 104.6272 46.1974 0.0000 174.3388 35 A 4.3958 8.0987 122.8471 51.6907 19.3186 177.6500 36 D 5.3877 8.7097 120.1609 51.4388 42.2936 176.9646 37 S 4.2307 8.4679 112.5657 61.4984 62.9351 175.9071 38 L 3.9636 7.9579 123.8696 58.0078 41.8831 178.1770 39 D 4.3300 8.7453 119.2735 57.7179 40.6869 179.0614 40 T 3.7418 7.8375 115.9683 66.5782 68.4447 176.7173 41 V 3.5552 7.8052 120.0469 66.2841 31.5165 177.9168 42 E 3.9218 8.4538 118.4584 59.1457 29.2452 179.1650 43 L 3.8350 8.0632 120.6564 58.0853 42.0712 179.1724 44 V 3.5692 7.8973 118.3018 66.3338 31.4362 177.8289 45 M 4.2861 8.5215 119.6368 57.8645 31.7687 178.6669 46 A 4.0364 8.1961 120.9454 54.9258 18.4911 179.7390 47 L 4.1736 8.0814 117.6562 58.0102 41.1987 179.3436 48 E 4.3422 8.4397 120.1825 58.8867 29.5154 179.2233 49 E 3.9403 8.2065 119.1394 59.2470 29.5294 178.4557 50 E 3.8627 8.1169 118.1899 58.6088 29.7410 177.8216 51 F 4.5682 8.0377 114.4545 55.9458 40.2095 175.0732 52 D 4.4047 7.7912 115.5665 54.8751 39.7570 173.5483 53 T 4.6371 8.1203 112.4828 60.6064 71.1186 171.5926 54 E 4.4714 8.8062 129.3032 55.2898 30.3388 175.2415 55 I 4.3467 8.9010 128.2904 59.0527 38.3486 174.6850 56 P 4.3734 0.0000 0.0000 62.4329 33.0808 176.7460 57 D 4.3639 8.7733 121.5917 57.9244 40.5959 179.1290 58 E 4.0547 8.1360 117.5198 59.2896 29.8895 178.0964 59 E 4.1891 8.0691 117.6920 58.8503 29.9276 178.4787 60 A 3.8278 8.2985 121.2731 55.1800 18.1778 179.5022 61 E 3.9691 8.2271 116.0268 58.9903 29.6241 178.1255 62 K 4.2514 7.6505 116.0797 56.7799 32.5190 177.6136 63 I 4.1663 7.3724 121.2607 60.2357 35.5337 175.2901 64 T 4.4901 7.9403 112.3832 60.4370 70.4700 174.1459 65 T 4.2387 6.7344 112.0209 58.5668 73.3405 174.5029 66 V 3.7442 8.2314 121.5332 66.5363 31.5539 178.0521 67 Q 3.9505 8.1432 118.7806 59.1301 28.8000 178.0573 68 A 3.9863 7.9981 121.5081 55.1473 18.4244 179.4865 69 A 4.0164 8.0971 119.1239 55.4191 18.5302 179.8575 70 I 3.6444 7.8974 118.2919 64.7345 37.2084 178.4511 71 D 4.3455 8.6618 119.9856 57.4262 40.6439 178.2902 72 Y 3.9480 8.2619 120.0908 60.6374 38.6171 177.9513 73 I 3.6274 7.6641 119.3714 64.6091 37.2911 177.8218 74 N 4.4638 7.9976 115.8538 56.0179 38.4590 177.0833 75 G 3.7941 7.8192 104.8713 45.0179 0.0000 173.7521 76 H 4.5822 7.5458 117.8617 53.7668 28.3990 173.2438 77 Q 4.4520 7.9348 116.0276 55.2530 29.7615 175.8759 78 A 4.2036 7.7865 126.7145 52.4048 18.7146 177.7259 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 S 8.32 4.55 0.00 4.10 3.96 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 3 T 8.62 4.14 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 1.23 0.00 0.00 4 I 8.43 3.83 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.79 0.89 0.00 0.00 5 E 8.20 3.94 0.00 2.04 1.97 0.00 0.00 0.00 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 2.43 0.00 6 E 8.25 4.03 0.00 2.27 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 2.35 2.34 0.00 7 R 8.40 3.93 0.00 2.07 2.32 0.00 2.95 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 8 V 8.28 3.78 2.27 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 1.05 0.00 0.00 0.98 0.00 0.00 9 K 8.20 4.05 0.00 2.04 2.01 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.63 7.81 10 K 8.43 3.89 0.00 1.91 2.03 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.50 7.81 11 I 7.88 3.73 2.06 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 1.52 0.64 0.92 0.00 0.00 12 I 7.99 3.65 2.04 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.72 0.88 0.00 0.00 13 G 8.39 3.65 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 0.00 0.00 0.00 14 E 8.05 3.96 0.00 2.08 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 2.34 2.52 0.00 15 Q 8.12 4.09 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 16 L 8.02 4.30 0.00 1.63 1.68 0.80 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.99 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.30 4.56 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 0.80 0.00 0.00 0.95 0.00 0.00 19 K 8.32 4.19 0.00 1.82 1.73 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.47 7.81 20 Q 8.89 3.97 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.84 0.00 0.00 0.00 0.00 0.00 2.47 2.33 0.00 21 E 8.33 3.95 0.00 1.93 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 2.31 2.36 0.00 22 E 8.23 4.20 0.00 2.10 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 2.34 2.25 0.00 23 V 7.33 4.04 2.21 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 0.85 0.00 0.00 1.01 0.00 0.00 24 T 7.34 4.42 4.30 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 1.27 0.00 0.00 25 N 8.85 4.29 0.00 2.81 3.12 0.00 0.00 6.68 6.92 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 26 N 8.07 4.38 0.00 2.81 2.94 0.00 0.00 5.98 7.26 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 27 A 8.08 4.17 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.20 4.58 0.00 3.74 3.84 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 0.00 0.00 0.00 29 F 8.39 4.49 0.00 3.11 2.99 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 30 V 7.82 3.94 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 0.96 0.00 0.00 1.03 0.00 0.00 31 E 8.06 4.20 0.00 2.01 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 2.34 2.27 0.00 32 D 8.28 4.84 0.00 2.81 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.00 4.57 0.00 1.88 1.71 1.09 0.99 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 34 G 8.34 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 0.00 0.00 0.00 35 A 8.10 4.40 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 36 D 8.71 5.39 0.00 2.89 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.47 4.23 0.00 4.08 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 38 L 7.96 3.96 0.00 1.77 1.84 0.91 1.27 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 39 D 8.75 4.33 0.00 2.85 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 40 T 7.84 3.74 4.45 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 1.32 0.00 0.00 41 V 7.81 3.56 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 1.09 0.00 0.00 0.98 0.00 0.00 42 E 8.45 3.92 0.00 2.09 2.06 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 2.50 2.44 0.00 43 L 8.06 3.83 0.00 1.56 1.69 0.73 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.90 3.57 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 1.00 0.00 0.00 0.94 0.00 0.00 45 M 8.52 4.29 0.00 2.08 2.22 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 2.71 2.41 0.00 46 A 8.20 4.04 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 47 L 8.08 4.17 0.00 1.96 1.89 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.44 4.34 0.00 2.20 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 0.00 2.50 2.37 0.00 49 E 8.21 3.94 0.00 2.09 2.06 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 2.28 2.32 0.00 50 E 8.12 3.86 0.00 1.79 1.75 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 1.68 1.47 0.00 51 F 8.04 4.57 0.00 3.23 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 52 D 7.79 4.40 0.00 2.84 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 53 T 8.12 4.64 4.36 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 1.40 0.00 0.00 54 E 8.81 4.47 0.00 1.99 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 2.27 2.33 0.00 55 I 8.90 4.35 1.72 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.72 0.37 0.00 0.00 56 P 0.00 4.37 0.00 2.17 1.99 0.00 3.74 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.22 0.00 57 D 8.77 4.36 0.00 2.67 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.14 4.05 0.00 1.96 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 2.30 2.36 0.00 59 E 8.07 4.19 0.00 2.15 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 2.45 2.41 0.00 60 A 8.30 3.83 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 61 E 8.23 3.97 0.00 2.11 2.03 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 2.34 2.41 0.00 62 K 7.65 4.25 0.00 1.90 1.85 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.43 1.54 7.81 63 I 7.37 4.17 2.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.56 1.07 0.00 0.00 64 T 7.94 4.49 4.13 0.00 0.00 0.00 0.00 0.00 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 65 T 6.73 4.24 4.14 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 1.01 0.00 0.00 66 V 8.23 3.74 2.31 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 1.06 0.00 0.00 1.18 0.00 0.00 67 Q 8.14 3.95 0.00 2.37 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 68 A 8.00 3.99 1.28 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 69 A 8.10 4.02 1.56 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 0.00 0.00 70 I 7.90 3.64 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.84 0.90 0.00 0.00 71 D 8.66 4.35 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.26 3.95 0.00 3.13 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 73 I 7.66 3.63 1.62 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 1.66 0.49 0.05 0.00 0.00 74 N 8.00 4.46 0.00 2.72 2.83 0.00 0.00 7.06 7.27 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 75 G 7.82 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 76 H 7.55 4.58 0.00 2.10 2.83 0.00 5.82 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 7.93 4.45 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.05 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 78 A 7.79 4.20 1.22 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 0.00 0.00