NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2452 8.3027 121.7408 56.2080 31.4435 174.4479 2 Q 4.3148 8.8061 129.0120 54.7404 28.5763 173.5723 3 L 4.6703 8.5963 127.3601 54.5672 43.5419 175.5624 4 T 4.6711 8.0202 109.0168 59.5547 71.7614 175.2552 5 K 3.6914 8.9061 123.5101 60.3678 32.1422 179.3115 6 C 4.5016 8.1397 115.4511 59.3811 39.6434 175.4904 7 E 3.8192 7.8789 121.0955 58.9853 29.0423 178.8455 8 V 3.6302 7.9971 118.8002 65.3064 31.3149 177.7416 9 F 3.8318 7.7395 120.0059 61.1531 39.4037 176.9035 10 R 4.2978 8.0589 115.2033 59.1949 29.4263 178.5672 11 E 4.0378 7.8050 117.0576 58.1453 29.6747 177.8605 12 L 4.5920 7.5168 118.8313 54.2553 43.1366 178.9726 13 K 3.9457 7.6937 121.6663 60.2032 32.5821 178.2302 14 D 4.5632 7.9848 116.2035 55.3614 40.9774 176.4990 15 L 4.2344 7.6790 119.4345 54.6729 42.4954 175.9998 16 K 3.8360 7.6050 120.0413 58.3306 32.1657 176.2630 17 G 4.1069 9.3392 116.1537 45.6508 0.0000 172.5648 18 Y 4.0572 7.8767 121.4901 58.8536 39.1018 176.5996 19 G 3.7547 8.6938 113.6344 45.8419 0.0000 173.5556 20 G 3.7639 8.3142 106.5690 46.1737 0.0000 173.7564 21 V 4.3206 7.5774 118.8692 60.4491 33.6134 175.3298 22 S 4.8671 9.4917 122.9307 57.1795 65.7467 175.3875 23 L 3.9473 8.3048 122.5744 57.6910 41.2811 177.8626 24 P 4.3754 0.0000 0.0000 65.8954 31.2877 178.3545 25 E 3.7837 7.7289 116.0673 59.1553 29.2698 179.5854 26 W 4.2162 7.7244 118.5156 59.6628 29.0072 178.7853 27 V 3.6715 8.4075 118.5970 66.0512 31.0966 177.3137 28 C 2.4500 7.9427 118.1720 59.3317 41.5879 175.5498 29 T 3.7437 8.0094 117.9012 66.9187 67.9404 176.7427 30 T 4.1821 8.4189 113.3797 64.0056 68.7668 176.4841 31 F 3.4491 7.8876 123.6975 61.2015 39.2196 176.1669 32 H 4.3190 7.6848 111.7030 56.5661 28.6292 176.2500 33 T 4.5464 7.3904 112.2945 62.4386 70.1206 175.4599 34 S 4.5451 7.9459 112.1593 56.2734 64.5946 174.2007 35 G 3.1933 8.2901 108.7262 47.0314 0.0000 174.0694 36 Y 3.7678 7.9810 113.4267 58.2640 35.6711 168.5479 37 D 5.1304 7.8276 120.9073 52.9182 41.3902 176.9921 38 T 4.2074 8.5759 117.9100 63.3313 69.6578 175.5672 39 Q 4.8749 8.1468 120.2029 55.5540 30.0481 175.5404 40 A 4.1786 7.9598 122.8473 52.2683 19.5035 177.3837 41 I 4.8634 8.2593 122.3713 59.4494 40.7537 175.0559 42 V 4.4149 8.4882 126.4227 61.0909 34.8881 173.8909 43 Q 5.0457 8.7301 126.2163 54.1355 30.1898 175.0870 44 N 5.0665 8.3478 122.7856 51.7952 38.5339 173.3674 45 N 3.9333 8.3396 111.1076 56.8900 38.7324 175.5191 46 D 4.9364 8.0705 119.8106 51.3002 42.3922 174.8935 47 S 4.8091 7.0471 113.1471 58.0269 66.4893 176.6026 48 T 5.0274 9.4062 118.2410 61.9029 71.7692 172.7818 49 E 5.3902 9.1883 125.3018 54.8986 32.4040 174.5878 50 Y 5.0856 9.3369 121.9157 57.4160 41.7391 177.6178 51 G 4.5543 8.8694 111.5503 44.3656 0.0000 173.5292 52 L 3.9123 8.5196 118.6086 57.1544 41.8954 178.4419 53 F 4.7264 8.0875 113.7294 56.8112 40.0338 175.1983 54 Q 3.6033 7.8402 119.3165 57.0394 26.4973 173.8063 55 I 4.3802 8.1991 119.3087 60.7679 38.6293 177.6080 56 N 6.0222 9.6373 124.8884 51.6998 39.3514 174.7428 57 N 5.7103 8.7343 115.4001 52.6760 38.1872 175.7851 58 K 4.3898 9.3434 124.0375 59.2620 33.0138 178.2320 59 I 4.4409 7.8151 109.1954 60.1648 39.6851 177.2331 60 W 4.3560 8.2480 122.9155 58.6113 29.9770 174.7119 61 C 5.7482 8.2121 110.6549 53.6396 46.1939 173.2518 62 K 5.1585 8.6507 119.4487 55.5141 35.0811 174.9592 63 D 4.9494 8.1722 120.1611 52.2262 42.2401 174.5757 64 D 4.4672 8.8534 117.0153 57.3697 41.1056 177.8940 65 Q 4.1339 8.3083 119.5948 58.5037 29.6575 175.5674 66 N 4.9339 8.7520 116.6114 50.8944 38.8624 172.5196 67 P 4.4365 0.0000 0.0000 64.3227 31.9523 176.7362 68 H 4.8670 7.9266 114.6884 55.5048 28.7856 175.1521 69 S 4.2735 7.6230 114.1717 58.1168 62.6739 174.6475 70 S 4.0060 8.0217 121.6430 59.9585 63.4727 174.2389 71 N 4.1378 8.1095 118.1997 54.5101 37.3552 175.0168 72 I 3.6974 8.4274 120.4847 64.6908 37.7865 177.2741 73 C 4.5761 8.7798 115.6572 56.3298 40.6193 173.2294 74 N 3.9685 7.9487 117.1900 53.2211 37.2633 172.5659 75 I 4.1407 8.0396 118.1909 60.0778 42.2829 172.7671 76 S 4.6649 8.0138 119.4307 57.5698 63.2106 175.8165 77 C 3.6132 8.4802 125.3893 59.8075 37.8405 176.0970 78 D 4.1881 7.6810 119.9175 55.9332 38.6349 178.2580 79 K 4.1387 7.5075 118.8030 58.1458 32.0379 177.2852 80 F 5.5599 7.8614 117.9273 56.7229 38.8517 176.7793 81 L 5.0015 7.9184 120.0788 54.5157 43.2023 176.4684 82 D 4.7674 7.8665 117.7784 52.7507 41.5426 175.5496 83 D 4.5841 8.5654 118.0078 54.6452 41.2414 175.8122 84 D 4.6715 7.9189 119.7935 53.0068 41.1415 176.2880 85 L 4.6112 8.3517 126.1790 55.4183 41.6560 178.7204 86 T 3.8426 8.2410 118.4526 66.8137 68.4736 176.1592 87 D 4.4015 8.0785 120.4884 56.3771 39.4262 177.8105 88 D 4.1230 8.3434 119.8752 57.4311 40.7574 178.9529 89 I 3.2089 7.6879 119.9126 64.4585 36.7377 178.3613 90 M 3.8567 7.6532 119.6572 58.4731 31.7080 178.0432 91 C 4.2561 8.0607 118.6711 59.3778 43.6903 175.6935 92 V 3.2381 7.2274 119.9366 65.7793 30.8482 178.1743 93 K 3.8521 7.9081 118.3328 59.2783 31.8966 179.4776 94 K 4.0349 7.5796 118.4466 59.4785 31.9853 179.4450 95 I 3.0016 7.4924 120.0186 64.0019 36.3600 178.4322 96 L 4.1270 8.2178 120.0368 58.1411 41.3200 179.3477 97 D 4.4704 8.4131 117.6835 56.7465 40.7499 178.4237 98 K 4.4020 7.8966 117.1770 58.3636 33.0593 178.6291 99 V 4.4169 8.4623 109.1121 60.3072 33.3767 176.5928 100 G 3.9517 7.9368 106.0837 44.3913 0.0000 173.9418 101 I 4.0219 8.1192 116.9659 63.5413 37.9472 176.9035 102 N 4.7782 8.1544 115.2997 54.4893 38.4793 175.2158 103 Y 3.9082 7.9043 120.5620 59.4007 39.1203 175.5404 104 W 4.5025 8.2152 120.0637 54.8618 28.7691 176.6046 105 L 4.0208 8.4609 125.0670 57.7213 41.0621 179.2976 106 A 4.0114 8.1353 120.0718 54.9425 18.3304 179.0322 107 H 3.9118 8.2029 117.1886 59.3633 29.7693 177.4540 108 K 3.8872 7.9618 119.2188 59.2723 32.2386 178.1674 109 A 4.1335 7.5213 119.6325 54.7018 18.5575 178.2398 110 L 4.6846 7.8695 112.8040 54.6766 43.3998 176.6771 111 C 4.9242 7.9254 115.4081 56.6669 40.8622 174.7591 112 S 4.0838 8.1135 116.3991 58.9874 62.7539 172.8878 113 E 4.6704 7.3095 115.6806 54.7793 32.9304 173.8535 114 K 3.8575 8.5473 115.7477 57.7167 30.5444 175.9232 115 L 4.7958 7.9879 114.2940 55.1662 41.7018 178.8156 116 D 4.4570 7.9204 120.5131 57.3147 40.8206 178.5128 117 Q 3.8929 7.9399 115.2905 57.5692 28.6276 176.5366 118 W 4.8421 7.7583 118.7590 56.5753 29.6200 176.2965 119 L 4.7217 7.3282 120.5852 52.8576 40.2096 175.5811 120 C 4.2470 8.2234 125.1199 57.3346 44.3856 174.1027 121 E 4.1449 8.1810 119.8902 56.4350 30.0735 174.9744 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 E 8.30 4.25 0.00 2.21 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 2.29 2.34 0.00 2 Q 8.81 4.31 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 3 L 8.60 4.67 0.00 1.50 1.51 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.02 4.67 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 1.26 0.00 0.00 5 K 8.91 3.69 0.00 2.00 1.95 0.00 1.94 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.74 1.98 7.81 6 C 8.14 4.50 0.00 2.99 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 7 E 7.88 3.82 0.00 2.04 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 2.28 2.30 0.00 8 V 8.00 3.63 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 0.80 0.00 0.00 0.41 0.00 0.00 9 F 7.74 3.83 0.00 3.27 3.17 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 0.00 0.00 0.00 10 R 8.06 4.30 0.00 2.13 2.25 0.00 2.84 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.68 0.00 11 E 7.81 4.04 0.00 2.02 2.03 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 2.34 2.54 0.00 12 L 7.52 4.59 0.00 1.49 1.44 0.78 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.69 3.95 0.00 1.90 2.33 0.00 1.33 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.41 7.81 14 D 7.98 4.56 0.00 2.60 2.66 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 15 L 7.68 4.23 0.00 1.70 1.51 -0.18 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.60 3.84 0.00 1.76 1.86 0.00 1.88 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.45 7.81 17 G 9.34 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 18 Y 7.88 4.06 0.00 3.11 2.92 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 0.00 0.00 0.00 19 G 8.69 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 0.00 0.00 0.00 20 G 8.31 3.76 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 0.00 0.00 0.00 21 V 7.58 4.32 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 0.21 0.00 0.00 0.67 0.00 0.00 22 S 9.49 4.87 0.00 4.06 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 23 L 8.30 3.95 0.00 1.35 0.93 0.80 0.95 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 24 P 0.00 4.38 0.00 2.24 2.33 0.00 3.56 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 2.25 2.45 0.00 25 E 7.73 3.78 0.00 2.09 1.71 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 2.40 2.29 0.00 26 W 7.72 4.22 0.00 3.38 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 27 V 8.41 3.67 2.36 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 1.38 0.00 0.00 0.87 0.00 0.00 28 C 7.94 2.45 0.00 1.30 2.66 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 29 T 8.01 3.74 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 1.08 0.00 0.00 30 T 8.42 4.18 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 1.03 0.00 0.00 31 F 7.89 3.45 0.00 2.55 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 32 H 7.68 4.32 0.00 3.14 3.28 0.00 5.85 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.39 4.55 4.45 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 0.00 0.00 0.00 1.55 0.00 0.00 34 S 7.95 4.55 0.00 3.94 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 35 G 8.29 3.19 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 0.00 0.00 0.00 0.00 36 Y 7.98 3.77 0.00 3.30 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 37 D 7.83 5.13 0.00 2.82 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 38 T 8.58 4.21 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 1.23 0.00 0.00 39 Q 8.15 4.87 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.85 0.00 0.00 0.00 0.00 0.00 2.54 2.41 0.00 40 A 7.96 4.18 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.26 4.86 1.79 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.91 0.58 0.00 0.00 42 V 8.49 4.41 2.21 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 0.90 0.00 0.00 0.93 0.00 0.00 43 Q 8.73 5.05 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.50 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 44 N 8.35 5.07 0.00 2.79 2.67 0.00 0.00 7.01 8.05 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 45 N 8.34 3.93 0.00 2.76 2.72 0.00 0.00 6.67 8.07 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 46 D 8.07 4.94 0.00 2.61 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.05 4.81 0.00 3.90 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 9.41 5.03 4.40 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 0.71 0.00 0.00 49 E 9.19 5.39 0.00 1.95 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 2.34 2.30 0.00 50 Y 9.34 5.09 0.00 3.09 3.05 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 0.00 0.00 0.00 51 G 8.87 4.55 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 52 L 8.52 3.91 0.00 1.43 1.26 0.87 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.09 4.73 0.00 3.11 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.84 3.60 0.00 2.40 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.79 0.00 0.00 0.00 0.00 0.00 2.51 2.67 0.00 55 I 8.20 4.38 1.89 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.56 1.02 0.00 0.00 56 N 9.64 6.02 0.00 3.06 3.18 0.00 0.00 6.52 7.12 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 57 N 8.73 5.71 0.00 2.86 3.22 0.00 0.00 6.32 7.13 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 58 K 9.34 4.39 0.00 1.94 1.92 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.41 7.81 59 I 7.82 4.44 1.35 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 -0.36 0.73 0.00 0.00 60 W 8.25 4.36 0.00 3.69 3.29 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 61 C 8.21 5.75 0.00 2.98 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 62 K 8.65 5.16 0.00 1.84 1.92 0.00 1.23 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.27 1.29 7.81 63 D 8.17 4.95 0.00 2.61 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.85 4.47 0.00 2.71 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 65 Q 8.31 4.13 0.00 2.07 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.22 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 66 N 8.75 4.93 0.00 2.74 2.64 0.00 0.00 7.20 8.29 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 67 P 0.00 4.44 0.00 2.04 2.08 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 1.99 2.21 0.00 68 H 7.93 4.87 0.00 3.10 3.27 0.00 5.72 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.62 4.27 0.00 4.10 3.76 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 70 S 8.02 4.01 0.00 3.98 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 71 N 8.11 4.14 0.00 2.90 2.73 0.00 0.00 7.10 8.07 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 72 I 8.43 3.70 1.75 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 1.03 0.00 0.00 73 C 8.78 4.58 0.00 3.41 3.30 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 74 N 7.95 3.97 0.00 2.76 2.77 0.00 0.00 6.85 7.40 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 75 I 8.04 4.14 1.94 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.81 0.80 0.00 0.00 76 S 8.01 4.66 0.00 3.77 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 C 8.48 3.61 0.00 2.05 1.59 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 78 D 7.68 4.19 0.00 2.83 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 79 K 7.51 4.14 0.00 1.45 1.99 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.30 1.48 7.81 80 F 7.86 5.56 0.00 3.28 3.12 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 81 L 7.92 5.00 0.00 1.86 1.76 1.14 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 82 D 7.87 4.77 0.00 2.79 2.74 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 83 D 8.57 4.58 0.00 2.70 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 84 D 7.92 4.67 0.00 2.65 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.35 4.61 0.00 1.74 1.72 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 86 T 8.24 3.84 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 1.19 0.00 0.00 87 D 8.08 4.40 0.00 3.08 2.97 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 88 D 8.34 4.12 0.00 3.03 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 89 I 7.69 3.21 1.85 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.66 0.62 0.00 0.00 90 M 7.65 3.86 0.00 1.96 2.22 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.46 0.00 91 C 8.06 4.26 0.00 3.13 2.97 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 92 V 7.23 3.24 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 -0.38 0.00 0.00 93 K 7.91 3.85 0.00 1.67 1.33 0.00 1.27 0.00 0.00 0.61 0.00 0.00 2.34 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.44 1.14 7.81 94 K 7.58 4.03 0.00 2.01 2.04 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.64 7.81 95 I 7.49 3.00 1.60 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.07 0.00 0.00 96 L 8.22 4.13 0.00 2.13 1.91 1.28 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.41 4.47 0.00 2.92 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 98 K 7.90 4.40 0.00 2.10 2.05 0.00 2.03 0.00 0.00 1.81 0.00 0.00 3.16 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.70 7.81 99 V 8.46 4.42 2.23 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 0.99 0.00 0.00 1.16 0.00 0.00 100 G 7.94 3.95 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 0.00 0.00 0.00 101 I 8.12 4.02 1.72 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.89 0.79 0.00 0.00 102 N 8.15 4.78 0.00 2.81 2.89 0.00 0.00 6.88 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.90 3.91 0.00 2.55 2.33 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 0.00 104 W 8.22 4.50 0.00 3.74 3.09 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 0.00 0.00 0.00 105 L 8.46 4.02 0.00 1.67 1.71 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.14 4.01 1.35 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 0.00 0.00 0.00 107 H 8.20 3.91 0.00 3.12 3.41 0.00 5.59 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.96 3.89 0.00 1.82 1.82 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.50 7.81 109 A 7.52 4.13 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 0.00 110 L 7.87 4.68 0.00 1.49 1.67 0.67 0.73 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 0.00 111 C 7.93 4.92 0.00 2.84 2.80 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 0.00 112 S 8.11 4.08 0.00 3.78 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 7.31 4.67 0.00 2.06 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 2.17 2.30 0.00 114 K 8.55 3.86 0.00 2.06 1.96 0.00 1.62 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.53 7.81 115 L 7.99 4.80 0.00 1.86 1.86 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 116 D 7.92 4.46 0.00 2.80 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 0.00 117 Q 7.94 3.89 0.00 1.43 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.51 0.00 0.00 0.00 0.00 0.00 2.23 1.16 0.00 118 W 7.76 4.84 0.00 3.39 3.36 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 0.00 119 L 7.33 4.72 0.00 1.66 1.67 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 120 C 8.22 4.25 0.00 2.73 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.18 4.14 0.00 1.98 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.87 0.00