NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.5191 7.9800 116.7701 63.6368 71.0967 175.2831 4 L 3.7147 8.1251 122.8066 57.7046 41.7148 177.5396 5 K 4.0343 8.8034 120.2845 59.3376 32.1943 178.0719 6 E 3.8316 8.0466 118.7489 59.0275 29.3607 179.2380 7 V 3.5810 8.1349 118.8399 66.0918 31.5475 177.8945 8 Q 3.9047 8.1370 119.2766 59.3055 28.7194 177.8579 9 D 5.0188 8.7236 121.6399 56.2104 40.7057 178.2241 10 N 4.4049 9.9033 117.0286 57.1708 39.1386 175.9018 11 I 3.5299 9.0969 121.5310 63.6304 36.8606 180.7003 12 T 3.3298 8.1329 113.5381 64.6504 69.2148 174.9925 13 L 3.9418 8.0987 121.1608 58.9290 42.0781 179.6053 14 H 4.1444 8.7633 115.6133 58.8222 27.5461 177.3195 15 E 4.1667 8.1228 118.8044 58.1062 28.9505 178.9068 16 Q 3.8288 8.5469 121.0262 59.3594 28.8207 178.0977 17 R 3.9447 7.7482 118.5539 58.7638 29.9224 178.6319 18 L 4.1191 7.6627 120.2406 57.4964 42.0191 178.7240 19 V 3.7821 7.1491 117.1086 64.0988 31.7361 178.2135 20 T 3.9453 7.9300 110.5128 64.9943 68.6505 176.2208 21 T 3.9045 7.5554 118.5210 66.1974 68.6530 176.4962 22 R 3.8951 8.3338 119.7212 59.1675 29.9791 178.9066 23 Q 4.0236 9.7410 119.5104 58.7541 29.0618 178.1352 24 K 4.0111 7.8743 119.2330 58.9740 32.1439 178.7177 25 L 3.8908 8.1441 121.0340 58.2751 42.0019 179.1015 26 K 4.3512 8.0172 120.6269 59.1122 32.1000 178.3958 27 D 4.3456 8.1623 119.0181 57.3076 40.7719 178.6604 28 A 4.0649 7.9614 121.2722 54.9233 18.3338 179.4821 29 E 3.9152 8.6900 117.6085 59.4943 29.4326 179.5790 30 R 3.8649 8.2246 118.5252 59.2632 30.1281 178.0650 31 A 3.9739 7.9217 120.6992 55.5716 18.0909 179.9039 32 V 3.4965 7.4837 114.8723 65.8203 31.6643 177.3141 33 E 4.0756 8.1707 118.4988 59.5755 29.5205 178.7005 34 L 4.4406 7.9890 117.6418 56.5404 41.9703 176.8952 35 D 4.3663 8.5402 119.8737 52.6751 42.7671 173.9269 36 P 4.5535 0.0000 0.0000 61.7305 30.3341 175.2888 37 D 4.7413 7.4032 121.4577 52.7989 43.1395 176.7849 38 D 4.3439 8.4293 118.3078 57.7309 40.7342 179.2680 39 V 3.6434 7.8049 118.1336 65.9115 31.5795 177.6838 40 N 4.4081 8.8485 116.7866 56.0756 38.4667 177.6206 41 K 4.0065 8.1802 119.9842 59.2641 31.9605 179.2763 42 S 4.2049 8.1311 113.5593 61.6913 62.3984 175.9722 43 T 3.8628 7.8507 118.4213 66.7872 68.2567 175.9719 44 L 3.8726 8.0357 121.6905 58.1837 42.2011 178.3742 45 Q 3.9592 8.0647 119.4683 59.8049 28.9048 179.1525 46 S 4.1696 8.3683 115.9546 61.6319 62.7836 176.9628 47 R 4.0302 7.9903 120.8577 58.8730 29.8049 179.3332 48 R 3.8604 8.2868 117.9233 59.1068 30.1146 178.4827 49 A 3.9384 7.8501 120.4365 55.5945 18.1116 179.6750 50 A 3.9560 8.0426 118.8248 55.0716 18.3976 180.1225 51 V 3.5427 7.9120 116.9787 66.2145 31.5832 178.2639 52 S 4.2275 8.6542 113.0370 61.2249 62.2496 175.7093 53 A 3.9881 8.1125 123.5198 55.3711 18.0371 179.5816 54 L 3.9920 7.6361 117.1381 57.9227 41.6654 179.6988 55 E 3.9311 8.3232 118.3487 59.7500 29.4640 179.0952 56 T 3.8700 8.0136 116.0430 66.8630 68.5877 176.0349 57 K 3.8309 8.0850 120.8913 59.7823 32.2014 178.7178 58 L 4.0912 8.3907 119.5500 57.4823 41.4884 179.6067 59 G 3.6651 8.2189 105.7867 47.9364 0.0000 175.1464 60 E 3.9508 8.0621 121.5401 59.3418 29.5910 179.6917 61 L 3.9649 7.8506 118.4987 57.7912 41.6588 179.8961 62 K 4.0690 8.1702 118.5202 59.2060 31.9208 179.4589 63 R 3.8407 8.0635 119.0750 59.2769 29.9835 177.8079 64 E 3.8732 8.3538 119.5419 59.4377 29.4795 178.6768 65 L 3.8936 8.3967 120.0090 58.2375 42.1379 178.8104 66 A 3.9323 8.1149 120.6763 55.0778 18.1709 179.3671 67 D 4.2695 8.5367 117.8694 57.5381 40.7275 178.8340 68 L 3.9644 7.8505 118.1657 57.9153 41.7113 179.2958 69 I 3.8281 8.2356 118.5478 64.4652 37.1639 177.9551 70 A 4.1126 8.0567 120.0064 55.7988 18.4716 178.5431 71 A 3.8414 8.5421 117.5901 54.4868 18.8726 174.9594 72 Q 4.3004 7.5082 122.7172 55.1349 28.6574 178.1971 73 K 4.9152 7.9406 123.8769 56.0986 33.0514 176.3151 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 3 T 7.98 4.52 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 1.21 0.00 0.00 4 L 8.13 3.71 0.00 1.75 1.69 0.92 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.80 4.03 0.00 1.91 1.79 0.00 1.66 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.59 7.81 6 E 8.05 3.83 0.00 2.05 1.98 0.00 0.00 0.00 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 2.36 0.00 7 V 8.13 3.58 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 1.03 0.00 0.00 0.99 0.00 0.00 8 Q 8.14 3.90 0.00 2.28 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 9 D 8.72 5.02 0.00 2.90 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.90 4.40 0.00 2.82 2.84 0.00 0.00 7.21 7.82 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 11 I 9.10 3.53 2.10 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.82 0.92 0.00 0.00 12 T 8.13 3.33 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 1.22 0.00 0.00 13 L 8.10 3.94 0.00 1.90 1.69 0.91 1.34 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 14 H 8.76 4.14 0.00 3.28 3.38 0.00 5.91 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 15 E 8.12 4.17 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 16 Q 8.55 3.83 0.00 2.36 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 17 R 7.75 3.94 0.00 1.91 1.95 0.00 2.99 0.00 0.00 3.02 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 18 L 7.66 4.12 0.00 1.77 1.65 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.15 3.78 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 0.84 0.00 0.00 0.93 0.00 0.00 20 T 7.93 3.95 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 21 T 7.56 3.90 4.35 0.00 0.00 0.00 0.00 0.00 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 22 R 8.33 3.90 0.00 2.09 1.99 0.00 3.24 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 23 Q 9.74 4.02 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 24 K 7.87 4.01 0.00 1.98 1.84 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.49 7.81 25 L 8.14 3.89 0.00 1.74 1.84 0.92 0.82 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 26 K 8.02 4.35 0.00 2.02 1.79 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.34 7.81 27 D 8.16 4.35 0.00 3.02 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 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 29 E 8.69 3.92 0.00 2.14 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 2.33 2.55 0.00 30 R 8.22 3.86 0.00 1.99 2.06 0.00 3.12 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 31 A 7.92 3.97 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 32 V 7.48 3.50 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 0.83 0.00 0.00 0.99 0.00 0.00 33 E 8.17 4.08 0.00 1.97 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 0.00 2.33 2.41 0.00 34 L 7.99 4.44 0.00 1.79 1.71 0.92 1.22 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 35 D 8.54 4.37 0.00 2.54 2.54 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 36 P 0.00 4.55 0.00 2.22 2.16 0.00 3.81 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 37 D 7.40 4.74 0.00 2.96 2.86 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 38 D 8.43 4.34 0.00 2.71 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 39 V 7.80 3.64 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 1.07 0.00 0.00 0.93 0.00 0.00 40 N 8.85 4.41 0.00 2.97 2.84 0.00 0.00 6.97 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.18 4.01 0.00 1.81 1.86 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.63 7.81 42 S 8.13 4.20 0.00 4.04 4.02 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 43 T 7.85 3.86 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 1.21 0.00 0.00 44 L 8.04 3.87 0.00 1.87 1.88 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.06 3.96 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 46 S 8.37 4.17 0.00 3.89 3.90 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 47 R 7.99 4.03 0.00 1.96 1.97 0.00 3.29 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.81 0.00 48 R 8.29 3.86 0.00 2.01 1.97 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 49 A 7.85 3.94 1.42 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 0.00 0.00 0.00 50 A 8.04 3.96 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 51 V 7.91 3.54 2.22 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 0.99 0.00 0.00 0.99 0.00 0.00 52 S 8.65 4.23 0.00 3.87 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 53 A 8.11 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.64 3.99 0.00 1.87 1.75 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.32 3.93 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 56 T 8.01 3.87 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 1.24 0.00 0.00 57 K 8.09 3.83 0.00 2.00 1.96 0.00 1.59 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.38 7.81 58 L 8.39 4.09 0.00 1.95 1.70 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.22 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.06 3.95 0.00 2.18 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 2.33 2.36 0.00 61 L 7.85 3.96 0.00 1.67 1.69 0.73 0.94 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 62 K 8.17 4.07 0.00 1.98 1.85 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.58 7.81 63 R 8.06 3.84 0.00 2.01 2.06 0.00 3.11 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 64 E 8.35 3.87 0.00 2.04 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 0.00 2.31 2.33 0.00 65 L 8.40 3.89 0.00 1.85 1.80 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.11 3.93 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 67 D 8.54 4.27 0.00 2.85 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 68 L 7.85 3.96 0.00 1.88 1.74 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.24 3.83 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.57 0.91 0.00 0.00 70 A 8.06 4.11 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 71 A 8.54 3.84 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 72 Q 7.51 4.30 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.79 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 73 K 7.94 4.92 0.00 1.71 1.68 0.00 1.84 0.00 0.00 2.40 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.30 7.81