NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3834 0.0000 0.0000 61.8542 32.8019 175.5515 3 P 3.8059 0.0000 0.0000 58.7873 31.9182 174.4150 4 R 4.7345 9.1218 120.1148 53.5000 34.7009 173.8602 5 P 4.0860 0.0000 0.0000 66.4495 31.2858 178.5170 6 L 3.7388 7.8470 116.4920 58.0237 41.5459 179.2363 7 D 4.3799 8.0654 118.0816 57.6941 40.6326 179.0533 8 V 3.5705 7.4900 116.8684 65.7681 31.6088 177.7692 9 L 4.0270 7.5870 118.6246 57.7159 41.4069 178.6103 10 N 4.6080 8.1512 116.8840 57.1267 38.7001 176.6409 11 R 4.3114 7.9987 115.0944 57.5709 30.1163 177.1037 12 S 4.7511 8.1088 114.5052 57.8301 64.1896 173.8368 13 L 4.2544 7.9638 121.4199 56.0725 41.7330 177.5358 14 K 4.2118 8.9062 122.2268 56.3245 31.9093 176.8955 15 S 4.7855 7.4306 113.7298 56.3479 65.6050 171.6131 16 P 5.0729 0.0000 0.0000 62.7934 32.6990 175.6042 17 V 5.0536 9.2860 115.0838 59.9027 36.9073 174.0370 18 I 4.9615 8.7755 123.3167 59.6607 39.8674 174.7713 19 V 4.6651 8.7919 127.6727 61.1724 33.4165 174.8954 20 R 4.1922 8.1764 128.8257 55.6771 31.8903 174.8492 21 L 5.2792 7.8099 122.3727 52.5266 46.6845 176.0234 22 K 4.0278 8.2814 119.9660 58.3119 32.1601 176.6914 23 G 4.3337 8.8539 118.7221 46.9570 0.0000 173.7538 24 G 3.5526 6.8072 112.6124 44.7860 0.0000 173.9145 25 R 4.1214 7.7919 119.3349 56.5475 30.6969 176.3107 26 E 5.0258 8.8517 122.6594 55.0413 33.0306 174.4741 27 F 5.8348 8.4118 117.4354 56.3377 43.9885 174.3334 28 R 5.0069 8.5461 120.3858 54.7648 34.2267 175.0196 29 G 4.0317 8.3074 108.7393 46.9166 0.0000 171.0051 30 T 4.9910 7.7662 117.0037 61.6727 70.5590 174.2915 31 L 4.3080 8.5047 128.8432 55.6818 42.2766 176.6488 32 D 4.3674 9.4943 128.0153 56.7794 42.1415 175.8104 33 G 4.2049 7.1218 103.1537 46.6750 0.0000 170.9429 34 Y 5.1746 7.6212 115.4941 57.1549 40.1536 172.4773 35 D 5.1872 8.1014 120.0388 51.1112 42.5336 176.5132 36 I 3.8083 8.2708 111.4237 64.1002 37.3869 176.3630 37 H 4.5760 8.2610 116.9853 55.7653 28.5210 175.5947 38 M 3.2440 8.0395 117.2092 55.9941 31.1680 176.3309 39 N 4.8145 8.4628 114.8321 53.6484 40.0987 173.8331 40 L 4.9439 8.9280 119.7801 53.0910 46.9040 175.8262 41 V 4.8253 8.3248 120.0195 61.3195 34.5301 174.1831 42 L 5.2971 8.9539 127.8835 52.9247 45.1460 175.4221 43 L 4.9344 8.7937 122.4762 53.6938 44.3936 175.8547 44 D 4.7148 9.6532 120.8399 55.5806 38.7024 172.1314 45 A 5.7518 8.1723 121.5510 49.5811 23.4680 176.2713 46 E 5.1333 8.5463 117.1712 54.5505 33.7189 174.8972 47 E 3.8054 8.9861 125.4400 55.1543 31.3160 174.8278 48 I 4.7152 8.0426 127.6086 59.6515 39.9692 174.5222 49 Q 4.3328 8.4758 130.0194 54.3649 28.5635 175.7748 50 N 3.8843 8.4705 126.9506 52.6905 35.4970 172.0383 51 G 3.7262 7.1754 112.5445 46.1794 0.0000 174.1197 52 E 4.2223 7.9023 116.3380 54.6244 31.4307 175.8093 53 V 4.4559 7.9598 118.8998 61.8148 32.5030 175.2869 54 V 3.9871 8.7478 128.1071 65.2769 32.1952 176.1149 55 R 4.7632 7.5819 116.6254 54.8691 34.7751 173.9799 56 K 5.1463 8.5925 120.1027 54.8369 35.0637 176.0950 57 V 4.4598 9.0613 117.2769 59.3960 35.3424 176.8789 58 G 3.8405 8.9033 111.7350 49.3693 0.0000 173.1697 59 S 5.3030 7.8204 112.1696 57.3365 66.1564 174.0690 60 V 4.4046 8.9427 119.7973 60.4656 34.9282 173.5783 61 V 4.5242 8.3544 124.0391 61.5088 32.5395 174.4419 62 I 4.2374 8.2259 129.9639 59.6917 38.9684 176.1392 63 R 4.3704 8.5655 126.4472 55.9010 30.9307 177.8546 64 G 3.6572 9.6877 112.2768 48.1388 0.0000 175.0620 65 D 4.3965 8.1546 118.1376 56.5551 41.5315 176.9607 66 T 4.2889 7.7290 114.6554 64.7490 69.4502 175.2516 67 V 4.1083 7.5593 120.8978 62.8157 32.1333 175.3395 68 V 4.3725 7.5678 124.9898 64.2043 33.3057 175.2952 69 F 4.8596 7.1561 112.2849 56.3200 40.6194 173.0770 70 V 5.0083 8.7277 118.7897 61.3730 34.4011 174.4386 71 S 4.7662 9.1933 121.4992 55.6940 65.9091 171.2548 72 P 4.6749 0.0000 0.0000 61.7161 31.7007 175.0335 73 A 4.8231 9.1956 133.0121 51.3672 19.6085 175.8618 74 P 4.3441 0.0000 0.0000 64.1278 30.8220 175.1875 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 P 0.00 4.38 0.00 2.05 2.04 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.11 0.00 3 P 0.00 3.81 0.00 2.13 1.94 0.00 3.61 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 4 R 9.12 4.73 0.00 1.97 1.98 0.00 3.05 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.92 0.00 5 P 0.00 4.09 0.00 2.14 2.09 0.00 3.60 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 6 L 7.85 3.74 0.00 1.64 1.66 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.07 4.38 0.00 2.95 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 8 V 7.49 3.57 2.18 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 0.82 0.00 0.00 0.92 0.00 0.00 9 L 7.59 4.03 0.00 1.54 1.13 0.48 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.15 4.61 0.00 3.04 3.16 0.00 0.00 7.32 7.21 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 11 R 8.00 4.31 0.00 1.98 1.98 0.00 3.16 0.00 0.00 3.35 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 12 S 8.11 4.75 0.00 4.00 3.83 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 0.00 0.00 0.00 13 L 7.96 4.25 0.00 1.67 1.63 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.91 4.21 0.00 1.94 2.09 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.36 7.81 15 S 7.43 4.79 0.00 3.87 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 16 P 0.00 5.07 0.00 2.16 2.23 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 17 V 9.29 5.05 2.13 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 0.73 0.00 0.00 0.96 0.00 0.00 18 I 8.78 4.96 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.96 1.02 0.00 0.00 19 V 8.79 4.67 2.13 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 0.87 0.00 0.00 0.93 0.00 0.00 20 R 8.18 4.19 0.00 0.67 0.66 0.00 2.95 0.00 0.00 3.05 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.38 0.00 21 L 7.81 5.28 0.00 1.75 1.49 1.07 1.00 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 22 K 8.28 4.03 0.00 1.67 1.74 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.61 7.81 23 G 8.85 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 0.00 0.00 0.00 0.00 24 G 6.81 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.79 4.12 0.00 1.73 2.03 0.00 3.10 0.00 0.00 3.46 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 26 E 8.85 5.03 0.00 1.85 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 2.15 2.19 0.00 27 F 8.41 5.83 0.00 2.90 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 28 R 8.55 5.01 0.00 1.74 1.81 0.00 3.20 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 29 G 8.31 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 30 T 7.77 4.99 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 1.27 0.00 0.00 31 L 8.50 4.31 0.00 1.85 1.77 1.07 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 32 D 9.49 4.37 0.00 2.66 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 33 G 7.12 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 0.00 0.00 0.00 0.00 34 Y 7.62 5.17 0.00 2.91 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 35 D 8.10 5.19 0.00 2.91 2.84 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 36 I 8.27 3.81 1.82 0.00 0.00 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 1.35 0.42 0.93 0.00 0.00 37 H 8.26 4.58 0.00 3.24 3.33 0.00 5.71 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 M 8.04 3.24 0.00 2.20 2.17 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 2.43 2.47 0.00 39 N 8.46 4.81 0.00 3.07 2.74 0.00 0.00 6.77 7.48 0.00 0.00 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 L 8.93 4.94 0.00 1.47 1.48 0.89 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.32 4.83 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 1.01 0.00 0.00 0.91 0.00 0.00 42 L 8.95 5.30 0.00 1.50 1.49 0.78 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.79 4.93 0.00 1.57 1.55 0.97 1.40 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 44 D 9.65 4.71 0.00 2.78 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 45 A 8.17 5.75 1.41 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 0.00 0.00 0.00 46 E 8.55 5.13 0.00 1.86 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 2.28 2.29 0.00 47 E 8.99 3.81 0.00 1.54 1.54 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 1.94 1.48 0.00 48 I 8.04 4.72 1.77 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.63 0.93 0.00 0.00 49 Q 8.48 4.33 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.63 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 50 N 8.47 3.88 0.00 2.94 3.09 0.00 0.00 6.39 7.00 0.00 0.00 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 G 7.18 3.73 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 0.00 0.00 0.00 52 E 7.90 4.22 0.00 2.18 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 2.34 2.33 0.00 53 V 7.96 4.46 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 0.76 0.00 0.00 0.98 0.00 0.00 54 V 8.75 3.99 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 0.76 0.00 0.00 0.88 0.00 0.00 55 R 7.58 4.76 0.00 1.73 1.74 0.00 3.10 0.00 0.00 3.47 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 56 K 8.59 5.15 0.00 1.60 1.70 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.71 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.42 7.81 57 V 9.06 4.46 2.29 0.00 0.00 0.00 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 58 G 8.90 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 0.00 0.00 0.00 59 S 7.82 5.30 0.00 3.83 3.80 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 60 V 8.94 4.40 2.04 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 0.61 0.00 0.00 0.62 0.00 0.00 61 V 8.35 4.52 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 0.80 0.00 0.00 0.90 0.00 0.00 62 I 8.23 4.24 1.73 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.21 0.81 0.00 0.00 63 R 8.57 4.37 0.00 1.82 1.84 0.00 3.29 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.56 0.00 64 G 9.69 3.66 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 0.00 0.00 0.00 65 D 8.15 4.40 0.00 2.63 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 66 T 7.73 4.29 4.44 0.00 0.00 0.00 0.00 0.00 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 67 V 7.56 4.11 2.07 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 0.76 0.00 0.00 0.95 0.00 0.00 68 V 7.57 4.37 1.95 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 1.00 0.00 0.00 0.92 0.00 0.00 69 F 7.16 4.86 0.00 3.01 3.10 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 0.00 0.00 0.00 0.00 70 V 8.73 5.01 2.13 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 0.84 0.00 0.00 0.95 0.00 0.00 71 S 9.19 4.77 0.00 3.96 3.82 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 72 P 0.00 4.67 0.00 1.99 2.00 0.00 3.74 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 2.04 2.12 0.00 73 A 9.20 4.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.34 0.00 2.09 1.95 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00