NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 P 4.3437 0.0000 0.0000 62.1147 32.4210 178.7932 9 V 3.1618 8.3112 122.7516 61.4261 32.1197 172.3742 10 T 4.7103 9.1590 118.2478 60.1575 71.8375 173.3200 11 C 4.9945 8.4818 119.2670 55.6740 44.5094 173.6221 12 C 4.9528 8.2453 117.5400 55.7202 41.3713 173.7809 13 Y 4.1747 8.4510 120.0086 57.7858 39.6025 175.4231 14 N 4.7975 7.5763 115.5921 51.7993 42.7325 173.6611 15 F 5.1448 8.3744 120.1188 56.1575 41.2859 175.2513 16 T 4.4948 8.5850 118.0056 61.5948 68.0129 174.5435 17 N 4.9008 8.7927 123.8053 53.1823 39.3985 174.7392 18 R 4.2856 7.3217 118.0093 53.7089 31.2546 176.2770 19 K 2.0000 7.7937 124.3981 55.5869 32.6841 175.6048 20 I 4.1117 6.3268 125.4776 58.9927 38.9255 175.6843 21 S 4.0352 8.4227 119.6538 58.4610 62.8613 174.9858 22 V 3.6391 8.6642 120.9182 64.8775 31.4265 178.4259 23 Q 3.9921 8.0210 116.7722 58.4390 28.8308 177.3151 24 R 4.3078 8.3620 116.1388 56.2264 30.6537 175.5703 25 L 5.0176 7.8634 119.1954 53.3612 43.1371 175.8450 26 A 4.6401 9.2078 125.9054 53.9082 20.4664 176.5301 27 S 4.8340 7.8096 107.6379 58.7631 66.1581 172.9179 28 Y 5.9787 8.2128 115.7429 57.2484 40.3586 173.7696 29 R 4.5146 8.4093 116.1746 54.8669 33.6683 173.5813 30 R 5.0585 8.3005 117.6404 54.2684 32.9716 176.1119 31 I 4.0947 8.3708 123.4976 61.6282 37.0300 176.2460 32 T 4.4820 8.5017 115.2097 61.2669 70.7455 174.4693 33 S 4.2527 7.8429 117.6685 58.1289 62.9595 174.7540 34 S 4.2639 8.4909 120.6962 60.4966 63.2990 175.4412 35 K 4.1450 7.8125 119.5235 58.1514 32.0171 176.3264 36 C 4.6656 7.5465 117.1813 55.0977 41.3831 171.9321 37 P 4.3018 0.0000 0.0000 63.7864 31.8669 176.2984 38 K 4.6532 7.3505 116.1504 53.8372 35.1343 175.1832 39 E 4.1235 8.7046 122.4918 56.3039 30.4534 175.6646 40 A 4.8100 8.2052 125.2312 51.0650 23.1286 174.6095 41 V 4.4956 8.4117 119.5797 61.0989 34.2017 174.6492 42 I 4.7813 8.7510 128.9313 59.6244 39.3067 174.8285 43 F 5.1585 8.8102 126.9905 56.8414 40.7709 174.8127 44 K 5.1858 9.5390 124.6401 54.8200 34.5729 176.0222 45 T 4.9240 9.3500 119.0830 60.8723 70.3084 175.6204 46 I 3.7937 8.5258 114.9730 62.9258 37.6185 176.9275 47 V 4.0421 7.7407 119.4539 62.2839 31.2773 175.0766 48 A 3.7898 8.0603 118.6807 52.7999 16.5555 177.9890 49 K 4.6445 8.4039 118.3795 56.6196 34.2923 175.5108 50 E 5.8695 8.6444 122.5863 54.2226 31.7836 175.4585 51 I 4.7975 8.2905 123.2964 59.6760 41.6837 175.1216 52 C 5.1496 8.9969 123.6439 56.7612 39.0989 172.4733 53 A 5.4222 9.2295 124.8254 50.0221 22.9595 174.6016 54 D 3.5243 8.3748 119.9192 52.5918 41.8392 175.7912 55 P 4.0608 0.0000 0.0000 65.3922 31.4855 177.6735 56 K 4.0757 8.2195 116.0878 57.6715 32.2406 177.5953 57 Q 4.3304 7.4913 119.2417 54.4027 30.8630 176.2565 58 K 3.8598 8.6341 125.5524 59.6074 32.3786 179.1766 59 W 4.2866 8.2815 116.2955 59.5174 27.9471 178.2650 60 V 2.7807 6.6264 118.5856 65.5171 30.9499 177.9327 61 Q 3.8238 7.5614 117.9007 59.0271 28.5691 178.3375 62 D 4.5224 8.0940 119.8838 57.6257 40.8919 179.1535 63 S 4.2162 8.2045 115.6035 61.4757 62.7504 176.8081 64 I 3.3946 7.6216 122.7756 64.0958 36.6543 177.9634 65 D 4.2995 8.1838 119.7986 57.6309 40.4984 177.9316 66 H 4.0247 7.9213 117.4305 59.8206 29.9014 176.8442 67 L 4.2306 7.7883 118.5961 57.8236 41.8762 178.9158 68 D 4.6698 8.2392 118.9896 56.6164 40.5920 177.5948 69 K 4.5219 8.1539 118.0052 56.3278 32.6325 177.2082 70 Q 4.5160 7.7229 113.6665 55.6731 30.0443 175.0043 71 T 4.1482 7.5934 113.4864 62.1579 69.0334 174.4675 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 8 P 0.00 4.34 0.00 2.06 1.51 0.00 3.69 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 1.93 2.08 0.00 9 V 8.31 3.16 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 0.78 0.00 0.00 0.93 0.00 0.00 10 T 9.16 4.71 4.28 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 1.24 0.00 0.00 11 C 8.48 4.99 0.00 2.74 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 12 C 8.25 4.95 0.00 2.76 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.45 4.17 0.00 2.85 2.93 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 14 N 7.58 4.80 0.00 2.65 2.66 0.00 0.00 6.87 7.45 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 15 F 8.37 5.14 0.00 3.14 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 16 T 8.59 4.49 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 17 N 8.79 4.90 0.00 2.80 2.89 0.00 0.00 6.92 7.66 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 18 R 7.32 4.29 0.00 1.73 1.71 0.00 3.14 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 19 K 7.79 2.00 0.00 0.79 1.14 0.00 1.68 0.00 0.00 1.52 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.95 0.88 7.81 20 I 6.33 4.11 1.75 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.50 0.85 0.00 0.00 21 S 8.42 4.04 0.00 3.77 3.69 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 22 V 8.66 3.64 1.93 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 0.64 0.00 0.00 0.83 0.00 0.00 23 Q 8.02 3.99 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 24 R 8.36 4.31 0.00 1.91 1.94 0.00 3.27 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 25 L 7.86 5.02 0.00 1.76 1.68 0.42 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 26 A 9.21 4.64 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 27 S 7.81 4.83 0.00 3.84 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.21 5.98 0.00 2.71 3.08 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 0.00 0.00 0.00 0.00 29 R 8.41 4.51 0.00 1.75 1.89 0.00 2.89 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 30 R 8.30 5.06 0.00 1.69 1.86 0.00 3.23 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 31 I 8.37 4.09 1.86 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 1.40 0.71 0.87 0.00 0.00 32 T 8.50 4.48 4.23 0.00 0.00 0.00 0.00 0.00 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 33 S 7.84 4.25 0.00 3.87 3.75 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 34 S 8.49 4.26 0.00 4.01 3.97 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 0.00 0.00 0.00 35 K 7.81 4.14 0.00 1.81 1.92 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.41 7.81 36 C 7.55 4.67 0.00 3.01 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 37 P 0.00 4.30 0.00 2.08 2.11 0.00 3.35 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 38 K 7.35 4.65 0.00 1.55 1.80 0.00 1.42 0.00 0.00 1.49 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.23 7.81 39 E 8.70 4.12 0.00 1.93 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 2.26 2.29 0.00 40 A 8.21 4.81 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 41 V 8.41 4.50 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.68 0.00 0.00 42 I 8.75 4.78 1.87 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 1.24 0.54 1.03 0.00 0.00 43 F 8.81 5.16 0.00 3.18 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 44 K 9.54 5.19 0.00 1.84 1.73 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.40 7.81 45 T 9.35 4.92 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 1.30 0.00 0.00 46 I 8.53 3.79 1.89 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 1.20 0.61 1.02 0.00 0.00 47 V 7.74 4.04 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 0.84 0.00 0.00 0.95 0.00 0.00 48 A 8.06 3.79 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 49 K 8.40 4.64 0.00 1.72 1.77 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.54 1.43 7.81 50 E 8.64 5.87 0.00 1.89 1.92 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 2.29 2.20 0.00 51 I 8.29 4.80 2.15 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.83 1.09 0.00 0.00 52 C 9.00 5.15 0.00 3.07 3.08 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 0.00 0.00 0.00 0.00 53 A 9.23 5.42 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 54 D 8.37 3.52 0.00 2.05 2.25 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 55 P 0.00 4.06 0.00 1.91 1.94 0.00 3.32 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.92 0.00 56 K 8.22 4.08 0.00 1.60 1.78 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.37 7.81 57 Q 7.49 4.33 0.00 1.85 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 58 K 8.63 3.86 0.00 1.81 1.88 0.00 1.77 0.00 0.00 1.94 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.47 7.81 59 W 8.28 4.29 0.00 3.62 3.31 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 0.00 0.00 0.00 0.00 60 V 6.63 2.78 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 0.69 0.00 0.00 -0.21 0.00 0.00 61 Q 7.56 3.82 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 62 D 8.09 4.52 0.00 2.88 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 S 8.20 4.22 0.00 4.01 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 64 I 7.62 3.39 1.79 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 0.53 0.54 0.61 0.00 0.00 65 D 8.18 4.30 0.00 2.90 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 H 7.92 4.02 0.00 3.26 3.57 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.79 4.23 0.00 2.11 2.00 1.40 1.26 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 68 D 8.24 4.67 0.00 2.89 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 69 K 8.15 4.52 0.00 1.69 1.81 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.55 7.81 70 Q 7.72 4.52 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.99 0.00 0.00 0.00 0.00 0.00 2.50 2.32 0.00 71 T 7.59 4.15 4.25 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 1.30 0.00 0.00