NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3323 8.1749 110.9441 61.2927 70.5313 173.8257 6 N 4.6777 8.0032 118.0947 52.7396 39.0761 173.5959 7 S 4.3737 8.7660 115.9945 58.4678 64.6865 173.3574 8 D 4.8308 8.7111 122.0228 55.1824 41.8482 175.4100 9 F 5.2901 7.9489 113.9158 55.3168 41.5937 173.7355 10 V 4.4725 8.7130 118.8610 61.0466 34.7590 174.1378 11 V 4.8227 8.7317 126.9479 61.2623 33.8980 174.2120 12 I 4.8661 9.1933 128.7856 59.3899 40.2780 174.2226 13 K 5.0261 9.0516 129.1458 54.2364 34.2987 175.1220 14 A 4.3955 8.6863 130.4070 52.2745 19.1433 177.4113 15 L 4.7218 9.1056 121.7944 54.5443 42.8439 175.8452 16 E 4.6853 7.7366 115.6026 54.6162 32.5996 174.3765 17 D 4.4111 8.3220 119.0240 55.5850 41.3230 177.0086 18 G 3.8770 8.6152 109.1739 45.5684 0.0000 173.9152 19 V 3.8906 7.6738 120.3899 62.8279 32.8281 174.5116 20 N 5.2521 9.0608 125.0886 51.4846 41.2265 173.6241 21 V 4.5466 8.6745 124.5252 61.3418 33.6350 174.2193 22 I 4.6072 8.8020 129.9180 59.3442 39.7303 175.0011 23 G 4.1167 8.7072 115.0441 45.2061 0.0000 172.3581 24 L 5.4858 8.8314 125.8959 53.0173 43.9684 176.2940 25 T 4.4797 8.7917 114.8105 61.8691 69.1631 174.2443 26 R 4.4866 7.8199 126.2918 56.8585 29.7417 175.0585 27 G 3.7372 8.8544 109.2975 43.9581 0.0000 173.9447 28 A 4.1481 8.6337 121.4393 54.2879 18.6009 177.5683 29 D 4.8801 7.2814 112.4258 52.8627 42.8276 175.4879 30 T 4.8165 8.1861 121.6942 61.8986 71.0833 173.2782 31 R 4.5383 8.4154 121.2981 55.0462 33.4990 173.9472 32 F 5.2652 8.6335 119.4158 57.8388 39.0118 175.2547 33 H 4.9707 9.0081 118.8470 56.4071 30.5632 174.2755 34 H 4.8485 7.7191 117.6673 54.7957 33.4349 171.9426 35 S 4.7985 8.2296 119.2254 56.4162 64.6229 172.4438 36 E 4.3888 8.9791 129.7302 54.8433 30.8436 174.5719 37 K 4.7417 8.6054 128.9805 55.5839 33.5219 175.4377 38 L 4.9804 9.2712 127.7244 53.1864 44.6005 176.0447 39 D 5.0226 8.9281 123.2152 52.2909 43.4828 175.9380 40 K 3.9437 8.6930 121.7013 58.5082 32.2630 177.0065 41 G 4.0098 9.0414 115.8452 45.1021 0.0000 173.4725 42 E 4.2665 8.1549 119.5939 56.2164 30.8860 175.9506 43 V 4.8519 8.2812 121.8993 61.0232 34.2465 174.1954 44 L 4.7374 9.0867 130.0164 53.2746 44.6367 174.7783 45 I 5.0221 8.4688 126.4830 59.6065 39.2150 174.7660 46 A 4.7002 9.0228 129.1929 50.1427 21.9296 175.3697 47 Q 4.7669 8.6695 121.1334 55.0280 30.3956 175.7809 48 F 4.7436 8.2807 120.4765 57.8779 38.4481 175.1211 49 T 4.7615 9.0090 111.6903 59.6311 72.1333 174.0496 50 E 4.1100 8.9604 121.5741 59.4860 29.5197 177.2994 51 H 4.5346 7.8399 112.4874 56.3491 29.7800 174.3081 52 T 5.3851 8.4748 116.1326 60.8891 71.4949 174.3322 53 S 4.9803 8.9783 120.1989 58.0492 64.8349 173.3210 54 A 5.1797 7.9098 121.5904 51.0773 22.6185 175.1730 55 I 4.9737 8.6098 120.8876 59.3428 40.7155 174.7131 56 K 4.5793 8.9703 128.1465 54.4990 34.7679 174.6307 57 V 4.7940 8.3892 126.6349 61.1867 33.5985 174.5523 58 R 4.5210 8.9706 127.1101 55.4288 32.7347 176.0175 59 G 4.1121 9.0429 109.3809 44.0610 0.0000 172.4626 60 K 4.5632 9.3934 120.8668 55.9416 33.0623 175.5581 61 A 5.0961 8.7812 127.8270 50.8902 23.3958 173.7971 62 Y 4.8561 9.0454 122.1938 56.1320 40.8214 174.5169 63 I 5.0321 8.4663 127.6595 59.5456 40.7622 174.5240 64 Q 5.1203 9.1099 125.2518 54.3780 32.2775 174.7918 65 T 4.7482 8.5629 112.5528 59.5298 72.4448 174.3917 66 R 3.7024 8.5695 120.5765 59.7121 29.7646 176.5852 67 H 4.6152 7.7961 112.4254 55.2405 29.6872 173.8317 68 G 3.7849 7.4216 105.6037 43.9997 0.0000 172.5289 69 V 4.3947 8.1047 120.1385 61.9979 32.8205 176.5106 70 I 4.6716 8.3513 125.9625 59.5267 42.2117 173.1243 71 E 5.1867 8.5285 124.6207 54.4791 32.5195 175.9555 72 S 4.6328 8.7981 119.2111 57.7620 65.1799 172.8966 73 E 4.9085 8.5139 120.2412 54.1060 32.3196 176.4293 74 G 3.7352 8.5932 110.1483 46.0204 0.0000 173.4644 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 5 T 8.17 4.33 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 1.22 0.00 0.00 6 N 8.00 4.68 0.00 2.83 2.90 0.00 0.00 7.04 6.68 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 7 S 8.77 4.37 0.00 4.08 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 8 D 8.71 4.83 0.00 2.82 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 9 F 7.95 5.29 0.00 3.02 2.95 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 10 V 8.71 4.47 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 1.02 0.00 0.00 0.71 0.00 0.00 11 V 8.73 4.82 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 1.14 0.00 0.00 1.17 0.00 0.00 12 I 9.19 4.87 1.87 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 1.09 0.45 0.92 0.00 0.00 13 K 9.05 5.03 0.00 1.87 1.76 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.37 7.81 14 A 8.69 4.40 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 15 L 9.11 4.72 0.00 1.64 1.71 1.03 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.74 4.69 0.00 2.02 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 2.18 2.33 0.00 17 D 8.32 4.41 0.00 2.69 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.62 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 0.00 0.00 0.00 19 V 7.67 3.89 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 0.98 0.00 0.00 1.00 0.00 0.00 20 N 9.06 5.25 0.00 2.58 2.59 0.00 0.00 6.24 7.41 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 21 V 8.67 4.55 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 1.00 0.00 0.00 0.90 0.00 0.00 22 I 8.80 4.61 1.38 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.39 -0.13 0.00 0.00 23 G 8.71 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.83 5.49 0.00 1.91 1.72 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.79 4.48 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 1.33 0.00 0.00 26 R 7.82 4.49 0.00 1.90 1.99 0.00 3.21 0.00 0.00 3.07 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.43 0.00 27 G 8.85 3.74 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 0.00 0.00 0.00 28 A 8.63 4.15 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 29 D 7.28 4.88 0.00 2.59 2.56 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 30 T 8.19 4.82 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 1.27 0.00 0.00 31 R 8.42 4.54 0.00 1.81 1.96 0.00 2.78 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 32 F 8.63 5.27 0.00 2.90 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 33 H 9.01 4.97 0.00 3.17 3.50 0.00 5.77 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.72 4.85 0.00 3.29 3.07 0.00 5.80 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 35 S 8.23 4.80 0.00 3.73 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.98 4.39 0.00 2.17 1.79 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 2.26 2.29 0.00 37 K 8.61 4.74 0.00 1.78 1.68 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.44 7.81 38 L 9.27 4.98 0.00 1.56 1.52 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.93 5.02 0.00 2.61 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 40 K 8.69 3.94 0.00 1.88 1.74 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.51 7.81 41 G 9.04 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 0.00 0.00 0.00 42 E 8.15 4.27 0.00 2.05 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 2.32 2.25 0.00 43 V 8.28 4.85 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 0.81 0.00 0.00 0.94 0.00 0.00 44 L 9.09 4.74 0.00 1.74 1.47 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.47 5.02 1.78 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.66 0.77 0.00 0.00 46 A 9.02 4.70 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.67 4.77 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 48 F 8.28 4.74 0.00 3.04 2.96 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 49 T 9.01 4.76 4.31 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 1.28 0.00 0.00 50 E 8.96 4.11 0.00 1.95 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 0.00 2.13 2.32 0.00 51 H 7.84 4.53 0.00 3.24 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.47 5.39 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 1.37 0.00 0.00 53 S 8.98 4.98 0.00 3.84 4.08 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 54 A 7.91 5.18 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 55 I 8.61 4.97 1.87 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.74 0.84 0.00 0.00 56 K 8.97 4.58 0.00 1.77 1.44 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.34 7.81 57 V 8.39 4.79 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 0.85 0.00 0.00 0.90 0.00 0.00 58 R 8.97 4.52 0.00 1.73 1.77 0.00 3.13 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 59 G 9.04 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 60 K 9.39 4.56 0.00 1.83 1.72 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.41 7.81 61 A 8.78 5.10 1.23 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 0.00 0.00 0.00 62 Y 9.05 4.86 0.00 3.03 2.83 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 63 I 8.47 5.03 1.91 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 1.21 0.72 0.86 0.00 0.00 64 Q 9.11 5.12 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.54 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 65 T 8.56 4.75 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 1.16 0.00 0.00 66 R 8.57 3.70 0.00 1.58 1.74 0.00 3.32 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 67 H 7.80 4.62 0.00 3.19 3.27 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.42 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.10 4.39 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 0.24 0.00 0.00 0.83 0.00 0.00 70 I 8.35 4.67 1.81 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 1.19 1.40 0.85 0.00 0.00 71 E 8.53 5.19 0.00 1.83 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 2.21 2.14 0.00 72 S 8.80 4.63 0.00 3.95 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 73 E 8.51 4.91 0.00 1.85 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 2.22 2.28 0.00 74 G 8.59 3.74 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 0.00 0.00 0.00