NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.9409 8.5298 120.4227 55.7167 33.7421 174.4146 2 V 4.3761 8.0483 122.6978 59.1534 35.0797 168.5373 3 V 4.7799 9.2778 124.5701 61.0778 34.4165 175.4535 4 L 4.7318 9.0945 127.9806 52.8059 44.1074 175.0868 5 K 4.9438 8.7097 125.1940 54.5818 34.4217 174.9674 6 V 4.3593 8.7781 128.0083 61.5731 33.6028 174.2188 7 T 5.0733 8.5254 125.1520 62.0227 69.6770 173.9404 8 L 4.9028 8.1534 125.1725 54.1668 44.4404 174.9710 9 L 4.7291 8.7328 120.3401 54.6192 42.2019 177.0767 10 E 4.2458 8.7542 121.7379 56.8298 29.9882 176.2139 11 G 3.8952 9.0865 107.9829 45.8860 0.0000 175.0261 12 R 4.0491 7.9136 119.9185 55.1746 30.9184 175.3860 13 P 4.4678 0.0000 0.0000 62.0568 33.3616 175.5254 14 P 4.2590 0.0000 0.0000 66.0068 31.2609 178.7204 15 E 3.9565 8.1714 115.7328 59.3437 29.3779 179.0430 16 K 3.9686 7.9622 120.0620 59.0886 32.3103 178.8595 17 K 3.9583 7.9892 118.6253 59.3737 32.0055 179.2202 18 R 3.8617 8.1645 119.0801 59.3905 29.9524 178.1457 19 E 3.9143 8.1589 119.0135 59.1450 29.6708 178.3279 20 L 3.9257 8.0432 120.4426 58.3547 42.1373 179.1570 21 V 3.5756 7.9891 118.1677 65.8748 31.4203 177.9822 22 R 3.8952 8.0742 118.4085 59.6001 30.0003 178.7939 23 R 4.1462 8.2057 117.9848 59.2674 29.9728 179.0753 24 L 4.0249 8.1160 118.8565 57.9771 41.5247 179.6806 25 T 3.7696 7.8857 115.6647 66.6155 68.3787 176.4208 26 E 4.2137 8.2419 120.4129 59.7600 29.5729 179.1792 27 M 4.0081 8.1105 117.8276 58.6450 32.2880 178.1465 28 A 3.9923 8.3038 121.2293 55.0348 18.5633 179.3184 29 S 4.1932 8.4228 114.2958 62.3513 62.2624 177.2494 30 R 3.9146 7.7585 121.5491 61.5091 29.3237 180.0742 31 L 4.2979 7.8314 120.0401 57.5087 42.2217 178.2694 32 L 4.4612 8.2840 116.4583 53.6647 42.2579 176.6079 33 G 3.8768 7.8318 106.8718 46.7239 0.0000 173.4286 34 E 4.6495 8.0218 117.6032 53.1983 31.7575 174.6576 35 P 4.3323 0.0000 0.0000 62.8811 32.1496 176.4702 36 Y 4.1334 9.1259 124.2223 61.0958 38.6019 178.1596 37 E 4.0855 8.2311 116.1554 58.2592 29.8496 177.1093 38 E 4.2735 8.7377 118.3157 56.3448 29.9914 175.2850 39 V 4.3905 7.2008 120.6414 61.6147 32.5977 175.2202 40 R 4.7116 8.8031 126.9956 54.3202 33.0958 175.1081 41 V 4.8941 8.2965 121.8102 61.1355 34.5113 174.4912 42 I 4.5753 8.9483 128.0559 59.4631 40.5262 174.3087 43 L 4.7716 8.6194 126.7407 53.6257 43.2277 175.9494 44 Y 4.6721 9.1614 127.7612 56.2793 38.9792 173.0934 45 E 4.6922 8.4495 124.9612 55.2394 30.7000 175.9102 46 V 3.9601 8.1713 125.0976 61.0430 33.9258 175.7523 47 R 4.6181 8.7820 125.6208 55.6146 30.8132 178.1890 48 R 4.0948 8.5515 119.1541 59.1460 30.2291 177.3561 49 D 4.9518 7.9574 115.1053 52.6519 39.4388 176.5330 50 Q 4.5769 8.1640 115.3349 55.3803 30.6519 174.9059 51 W 5.1378 8.0455 128.1261 55.3654 33.4234 173.6617 52 A 5.3374 8.8848 126.9250 50.3753 21.9453 174.8343 53 A 4.6226 8.3811 122.0766 51.5455 22.1515 176.9218 54 G 3.8816 9.7194 110.3530 46.6880 0.0000 174.6580 55 G 3.9009 8.5683 105.0894 45.1702 0.0000 174.0981 56 V 4.3858 7.6380 120.0370 60.3300 33.8307 174.9804 57 L 4.6400 8.4413 127.1859 54.7714 42.2101 178.2519 58 F 4.2297 9.4114 121.8484 60.0574 38.4374 178.1367 59 S 4.2472 8.2862 113.7953 60.8085 62.7088 175.6564 60 D 4.5363 8.0045 124.1173 57.0072 41.3197 179.2020 61 K 4.1348 8.0336 124.4552 59.3185 31.7621 179.1878 62 E 4.3313 7.6757 118.2353 56.8257 29.7107 181.9593 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 1 M 8.53 4.94 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.37 0.00 2 V 8.05 4.38 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 0.62 0.00 0.00 0.92 0.00 0.00 3 V 9.28 4.78 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 0.81 0.00 0.00 0.90 0.00 0.00 4 L 9.09 4.73 0.00 1.51 1.54 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.71 4.94 0.00 1.71 1.66 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.70 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.34 1.36 7.81 6 V 8.78 4.36 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 0.85 0.00 0.00 0.94 0.00 0.00 7 T 8.53 5.07 4.19 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 0.00 0.00 0.00 0.47 0.00 0.00 8 L 8.15 4.90 0.00 1.80 1.78 0.95 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.73 4.73 0.00 1.66 1.73 0.99 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.75 4.25 0.00 1.95 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 0.00 2.46 2.28 0.00 11 G 9.09 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 0.00 0.00 0.00 12 R 7.91 4.05 0.00 1.81 1.90 0.00 3.29 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 13 P 0.00 4.47 0.00 2.51 2.18 0.00 3.73 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 2.06 0.00 14 P 0.00 4.26 0.00 2.18 2.16 0.00 3.61 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 2.12 2.16 0.00 15 E 8.17 3.96 0.00 2.16 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 0.00 2.37 2.32 0.00 16 K 7.96 3.97 0.00 1.90 2.02 0.00 1.62 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.60 7.81 17 K 7.99 3.96 0.00 2.03 1.85 0.00 1.92 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.59 7.81 18 R 8.16 3.86 0.00 2.01 2.13 0.00 3.11 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 19 E 8.16 3.91 0.00 2.21 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 2.32 2.33 0.00 20 L 8.04 3.93 0.00 1.89 1.85 0.94 0.79 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 21 V 7.99 3.58 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 0.91 0.00 0.00 0.98 0.00 0.00 22 R 8.07 3.90 0.00 2.03 2.16 0.00 3.18 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 23 R 8.21 4.15 0.00 1.88 1.98 0.00 3.37 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.83 0.00 24 L 8.12 4.02 0.00 1.69 1.71 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.89 3.77 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 0.55 0.00 0.00 26 E 8.24 4.21 0.00 2.11 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 2.54 2.80 0.00 27 M 8.11 4.01 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.72 0.00 28 A 8.30 3.99 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 29 S 8.42 4.19 0.00 4.03 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 0.00 30 R 7.76 3.91 0.00 1.97 1.83 0.00 3.33 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 31 L 7.83 4.30 0.00 1.78 1.77 0.93 0.86 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 32 L 8.28 4.46 0.00 1.75 1.69 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.83 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 34 E 8.02 4.65 0.00 1.96 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 2.23 2.24 0.00 35 P 0.00 4.33 0.00 2.19 2.02 0.00 3.64 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 2.13 2.10 0.00 36 Y 9.13 4.13 0.00 3.01 3.03 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 37 E 8.23 4.09 0.00 2.02 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 2.43 2.33 0.00 38 E 8.74 4.27 0.00 2.14 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 0.00 2.28 2.38 0.00 39 V 7.20 4.39 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 0.67 0.00 0.00 0.92 0.00 0.00 40 R 8.80 4.71 0.00 1.70 1.74 0.00 3.24 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 41 V 8.30 4.89 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 0.85 0.00 0.00 0.89 0.00 0.00 42 I 8.95 4.58 1.85 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 1.20 0.64 0.90 0.00 0.00 43 L 8.62 4.77 0.00 1.53 1.62 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 9.16 4.67 0.00 2.85 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.45 4.69 0.00 1.83 1.80 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 2.25 2.28 0.00 46 V 8.17 3.96 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 0.70 0.00 0.00 -0.29 0.00 0.00 47 R 8.78 4.62 0.00 2.06 1.89 0.00 3.19 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 48 R 8.55 4.09 0.00 1.88 2.14 0.00 3.27 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 49 D 7.96 4.95 0.00 2.82 2.78 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 50 Q 8.16 4.58 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.62 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 51 W 8.05 5.14 0.00 3.03 2.42 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 52 A 8.88 5.34 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 53 A 8.38 4.62 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 54 G 9.72 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 55 G 8.57 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 0.00 0.00 0.00 56 V 7.64 4.39 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 0.98 0.00 0.00 0.97 0.00 0.00 57 L 8.44 4.64 0.00 1.82 1.68 0.97 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 58 F 9.41 4.23 0.00 3.17 3.14 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 0.00 59 S 8.29 4.25 0.00 4.09 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 0.00 60 D 8.00 4.54 0.00 2.84 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 61 K 8.03 4.13 0.00 1.85 1.73 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.07 7.81 62 E 7.68 4.33 0.00 1.94 1.74 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 2.26 2.12 0.00