NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.3970 8.0433 122.6806 54.8020 43.3934 175.0336 4 I 4.5702 8.3346 123.8491 58.5974 38.6316 169.7147 5 V 4.3626 9.4659 128.7827 61.1478 34.4457 173.5873 6 N 5.0774 9.0363 125.9897 52.1411 40.3873 174.1382 7 V 4.7921 8.9695 124.8698 61.3928 33.7704 174.2549 8 I 4.9471 8.7470 129.8096 59.6839 39.7214 174.4034 9 N 5.4026 9.2270 125.3855 51.7152 40.8653 175.9551 10 G 4.2686 9.2905 114.6162 44.1649 0.0000 171.4660 11 P 5.0695 0.0000 0.0000 63.5763 31.8541 177.5635 12 N 4.5394 9.0516 116.6123 53.8718 36.9574 176.2126 13 L 4.1480 7.5605 117.3464 56.6856 41.9513 177.9310 14 G 3.6773 8.0060 105.5816 46.0775 0.0000 173.9768 15 R 4.5979 7.6064 118.5245 55.5283 30.7117 175.7633 16 L 4.0673 7.7030 118.7678 56.1703 42.0948 177.5605 17 G 4.0553 8.9737 110.2908 45.7059 0.0000 174.3307 18 R 4.5496 7.8110 119.5938 55.0271 33.4642 175.3574 *19 R 4.6414 8.5376 122.7351 56.0756 32.9153 171.7809 *20 E 3.7158 8.6095 111.0354 57.7242 26.5055 177.5476 *26 G 4.0847 8.1595 109.0236 46.4873 0.0000 174.3620 27 T 4.1106 7.7015 116.9933 62.8009 69.2716 175.2477 28 T 4.6326 8.1790 117.0515 60.1390 72.1186 175.5222 29 H 4.1040 8.5598 120.3559 59.3666 29.3414 176.9776 30 D 4.3489 8.0674 120.4355 57.3866 40.6319 178.4247 31 E 3.9705 7.7005 119.5709 59.0187 29.3990 179.0593 32 L 3.7724 7.4798 120.4456 58.1606 42.2665 179.2261 33 V 3.4272 7.4189 117.3941 65.9411 31.4239 177.8602 34 A 3.9908 7.6291 119.6512 55.0931 18.2040 179.6677 35 L 3.9728 8.1411 117.7620 57.7609 41.6031 179.8170 36 I 3.6979 7.8304 119.8270 64.5674 36.7212 178.4471 37 E 3.9486 8.0130 118.8601 59.1390 29.2951 179.5162 38 R 3.8938 7.8230 118.6866 59.3489 30.0542 178.1771 39 E 4.0265 8.3319 118.9948 59.0124 29.5366 178.5740 40 A 3.9895 8.3033 120.9899 55.0459 17.8907 179.4982 41 A 3.8381 7.7780 118.8866 55.2914 18.2100 179.7385 42 E 4.0278 7.7306 115.4387 58.7445 29.6357 178.4862 43 L 4.4443 7.5335 116.9353 53.7870 42.6004 176.2541 44 G 3.7605 7.7469 105.6797 46.8008 0.0000 173.1729 45 L 4.8939 8.4421 117.3034 52.3490 46.2399 176.9967 46 K 4.4904 8.6750 121.9297 54.8794 34.0168 174.5385 47 A 5.0199 8.5601 129.5496 50.4147 21.1485 176.1090 48 V 4.0949 8.5849 122.1158 61.1877 33.8085 174.4300 49 V 4.6479 8.2083 128.6664 61.4763 32.6019 175.1405 50 R 4.4917 8.9128 126.8395 54.2462 34.0137 174.2089 51 Q 5.1663 8.6182 122.8408 54.6461 31.9950 173.9925 52 S 4.8170 8.9198 119.3047 57.4444 65.7055 173.5247 53 D 4.6362 8.8553 123.5956 54.9114 41.8172 176.1658 54 S 4.6121 7.7955 115.4735 57.2843 63.6713 174.1105 55 E 3.8507 8.6983 129.3564 59.3387 29.5798 178.5674 56 A 3.8471 7.8613 120.3593 55.1315 18.5167 179.2928 57 Q 3.3930 7.5125 117.1237 59.0074 28.9450 178.1308 58 L 4.0055 7.5526 120.0080 57.7739 41.6386 179.6337 59 L 3.9908 8.0289 119.1017 57.7840 41.6216 178.8735 60 D 4.2290 7.7405 117.9520 57.1639 41.0555 178.5258 61 W 4.4895 7.8693 119.2315 59.8443 29.1769 178.5835 62 I 3.9925 7.7084 111.3577 63.8064 36.8856 177.9944 63 H 4.2236 8.4194 118.6023 59.1199 28.6499 177.7012 64 Q 4.0610 8.2845 119.5305 58.8340 28.4785 178.5704 65 A 4.0967 8.2754 121.6089 54.7376 17.8318 179.6040 66 A 3.9668 8.0447 119.7424 55.4686 18.2861 179.6125 67 D 4.3652 7.8228 116.1105 56.7509 41.0165 177.9155 68 A 4.2768 7.9244 118.4794 50.9482 20.2600 176.4340 69 A 3.7104 7.3264 118.7076 53.4817 16.4831 176.9048 70 E 4.8271 8.1691 119.6200 53.4989 32.6439 176.7096 71 P 4.6047 0.0000 0.0000 62.9460 33.0446 175.2716 72 V 4.7837 8.5091 122.3666 61.2815 34.5640 174.1671 73 I 4.7068 8.9483 129.7302 59.8906 38.9370 174.4626 74 L 5.0845 9.0381 130.1391 53.1785 44.9488 174.5285 75 N 5.0524 9.0797 125.5248 52.0306 40.7597 174.3740 76 A 4.5199 8.4757 129.8012 51.2139 20.9191 179.5203 77 G 4.0395 8.5232 108.0390 46.6562 0.0000 176.8996 78 G 3.5183 9.1814 114.4919 48.2195 0.0000 175.4078 79 L 4.2879 7.8681 118.5527 56.3720 42.0961 179.2227 80 T 3.9168 7.6342 116.4558 66.4904 68.4083 175.4672 81 H 4.9635 7.8334 115.9377 56.1628 29.4601 175.7735 82 T 4.5836 7.8661 107.2608 62.0794 69.8194 174.1515 83 S 4.2408 8.1209 117.9898 57.4439 62.9304 174.5309 84 V 3.6358 8.0595 126.9539 65.0831 31.2652 177.5961 85 A 3.9789 7.7780 120.2795 54.9955 18.3511 179.1898 86 L 3.9302 7.9513 118.9781 57.9548 41.9968 179.1650 87 R 3.9105 7.3380 115.9530 59.6714 29.8970 178.3671 88 D 4.3836 7.9818 116.7812 56.8748 40.8936 178.2978 89 A 4.2041 7.7809 121.6015 55.2322 18.3202 179.3559 90 C 4.2377 8.1656 114.2577 62.2987 27.9438 175.8954 91 A 4.1183 7.5013 121.8563 54.6078 17.9894 178.4835 92 E 4.0375 7.8330 116.3559 58.6297 29.8492 177.4720 93 L 4.1179 7.5065 119.9734 54.8336 41.8171 177.1648 94 S 4.2837 8.7394 118.9104 60.6348 63.7904 174.7348 95 A 4.3798 7.6868 120.8968 50.4018 19.5032 175.7093 96 P 4.3711 0.0000 0.0000 63.1209 32.9335 175.1067 97 L 5.1668 8.6393 124.6592 53.2345 44.9307 174.7080 98 I 4.7977 8.7291 126.5966 59.1070 41.0283 173.5038 99 E 4.8128 9.1508 131.2904 55.2887 30.9801 174.9072 100 V 4.7614 8.1597 126.4272 61.3780 34.5229 174.3885 101 H 4.8319 9.1051 123.5868 54.4178 32.3174 174.3230 102 I 4.0181 8.7295 124.3137 64.5202 37.7667 176.8167 103 S 4.3132 7.9353 114.5327 57.1137 64.3641 173.6489 104 N 4.4621 8.4409 120.1979 53.3602 37.6666 175.9038 105 V 3.6656 8.1029 126.0047 64.0114 31.8631 176.9988 106 H 4.4130 7.9568 115.7011 56.4400 28.9058 175.5538 107 A 4.4594 7.6656 121.0973 52.2776 19.9389 177.7393 108 R 4.6374 7.2276 115.8803 54.8395 31.9197 175.7982 109 E 3.9050 8.1985 119.5353 57.2204 30.3294 177.8000 110 E 3.9100 8.5425 121.3812 59.4562 29.6860 179.2935 111 F 4.4517 7.5982 111.7115 58.7576 38.0497 175.8797 112 R 3.8100 7.0748 119.0795 56.9013 30.1654 177.0311 113 R 4.2060 7.6472 116.1884 56.4876 30.9555 176.2445 114 H 4.8566 7.5530 113.8195 54.0324 28.9180 173.7150 115 S 4.3493 7.7083 113.9362 58.7278 63.2741 173.6975 116 Y 4.2943 8.4924 125.1060 60.3471 38.3713 177.4783 117 L 4.3410 7.9524 119.4077 56.8949 40.6032 178.8352 118 S 4.2033 8.0063 115.4478 61.4354 62.6292 175.1200 119 P 4.4649 0.0000 0.0000 64.2853 31.2141 176.9567 120 I 4.2468 7.0413 108.6618 60.3887 38.6189 175.7050 121 A 4.3988 7.5546 123.9360 51.9264 19.4102 177.8433 122 T 4.1049 8.9907 117.2467 66.4861 68.9038 175.4442 123 G 4.1179 7.6537 105.9925 44.8877 0.0000 171.7116 124 V 4.8929 8.0683 119.3311 61.0702 34.3675 174.4468 125 I 4.4207 8.9143 129.6139 59.6737 39.3387 175.0262 126 V 4.7478 8.1365 126.2026 62.3807 34.6868 176.3547 127 G 4.0812 8.9320 115.0331 45.5652 0.0000 174.5908 128 L 4.1098 7.1738 117.8283 55.8540 42.9183 176.9980 129 G 4.0041 7.5981 103.1226 43.9484 0.0000 174.8657 130 I 3.9748 8.5475 118.1061 63.8003 38.4899 178.4486 131 Q 4.3247 8.2124 120.4932 58.3180 28.9862 177.5942 132 G 3.6555 7.9938 106.7704 48.3004 0.0000 175.2255 133 Y 4.0633 7.7531 117.3290 60.8961 37.6572 178.5762 134 L 4.0813 7.9066 119.4985 57.8179 41.7560 179.3685 135 L 4.0697 8.4150 118.8415 57.3085 40.9639 179.3606 136 A 4.1213 7.8482 120.8713 54.9565 18.2430 179.6546 137 L 4.0196 7.8054 117.7886 58.0179 41.5388 179.7229 138 R 3.9283 7.8537 118.5309 59.3358 30.0753 177.9713 139 Y 4.0816 7.7526 118.1695 60.7589 38.6555 177.9952 140 L 4.0854 7.6554 116.9086 57.0292 41.8171 178.9059 141 A 4.1150 7.9616 120.7644 54.9625 18.3800 178.8617 142 E 3.9982 7.8224 116.8298 58.4538 29.8058 176.8142 143 H 4.4396 7.6388 119.7644 55.6656 29.1545 174.3399 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 L 8.04 4.40 0.00 1.36 1.62 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.33 4.57 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.11 0.95 0.00 0.00 5 V 9.47 4.36 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 1.00 0.00 0.00 0.95 0.00 0.00 6 N 9.04 5.08 0.00 2.81 2.69 0.00 0.00 6.07 7.73 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 7 V 8.97 4.79 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 1.10 0.00 0.00 0.96 0.00 0.00 8 I 8.75 4.95 1.97 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 1.46 0.34 1.18 0.00 0.00 9 N 9.23 5.40 0.00 2.70 2.80 0.00 0.00 6.46 8.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 9.29 4.27 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 0.00 11 P 0.00 5.07 0.00 2.22 2.00 0.00 4.21 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 12 N 9.05 4.54 0.00 3.01 3.02 0.00 0.00 7.04 6.74 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 13 L 7.56 4.15 0.00 1.88 1.79 1.10 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.01 3.68 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 0.00 0.00 0.00 15 R 7.61 4.60 0.00 1.98 1.90 0.00 3.30 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 16 L 7.70 4.07 0.00 1.82 1.83 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.97 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.81 4.55 0.00 1.77 1.81 0.00 3.16 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 *19 R 8.54 4.64 0.00 1.78 1.65 0.00 3.33 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 *20 E 8.61 3.72 0.00 2.17 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 2.10 1.86 0.00 *26 G 8.16 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 0.00 0.00 0.00 27 T 7.70 4.11 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 1.25 0.00 0.00 28 T 8.18 4.63 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 1.28 0.00 0.00 29 H 8.56 4.10 0.00 3.30 3.32 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.07 4.35 0.00 2.79 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 31 E 7.70 3.97 0.00 2.33 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 0.00 2.31 2.29 0.00 32 L 7.48 3.77 0.00 1.52 1.66 0.27 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.42 3.43 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 0.90 0.00 0.00 0.78 0.00 0.00 34 A 7.63 3.99 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 35 L 8.14 3.97 0.00 1.81 1.71 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.83 3.70 1.80 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.63 0.90 0.00 0.00 37 E 8.01 3.95 0.00 2.02 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 0.00 2.29 2.38 0.00 38 R 7.82 3.89 0.00 2.09 2.06 0.00 3.08 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 39 E 8.33 4.03 0.00 2.27 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 2.33 2.38 0.00 40 A 8.30 3.99 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 41 A 7.78 3.84 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 42 E 7.73 4.03 0.00 2.24 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 2.47 0.00 43 L 7.53 4.44 0.00 1.56 1.71 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.75 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 45 L 8.44 4.89 0.00 1.56 1.53 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.68 4.49 0.00 1.78 1.65 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.49 7.81 47 A 8.56 5.02 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.58 4.09 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 0.61 0.00 0.00 0.87 0.00 0.00 49 V 8.21 4.65 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 0.74 0.00 0.00 0.85 0.00 0.00 50 R 8.91 4.49 0.00 0.68 0.66 0.00 2.21 0.00 0.00 2.46 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.02 0.00 51 Q 8.62 5.17 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.72 0.00 0.00 0.00 0.00 0.00 2.44 2.17 0.00 52 S 8.92 4.82 0.00 3.92 3.62 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 53 D 8.86 4.64 0.00 2.74 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 54 S 7.80 4.61 0.00 3.83 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.70 3.85 0.00 2.03 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 2.34 0.00 56 A 7.86 3.85 1.22 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 0.00 0.00 0.00 0.00 0.00 57 Q 7.51 3.39 0.00 1.85 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 1.60 1.16 0.00 58 L 7.55 4.01 0.00 1.88 1.74 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.03 3.99 0.00 1.67 1.47 0.85 1.22 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 60 D 7.74 4.23 0.00 2.72 2.46 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 0.00 0.00 0.00 0.00 61 W 7.87 4.49 0.00 3.53 3.06 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 0.00 0.00 0.00 0.00 62 I 7.71 3.99 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.80 1.01 0.00 0.00 63 H 8.42 4.22 0.00 3.41 3.41 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 8.28 4.06 0.00 2.43 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.66 0.00 65 A 8.28 4.10 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 66 A 8.04 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 67 D 7.82 4.37 0.00 2.67 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 68 A 7.92 4.28 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 69 A 7.33 3.71 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 70 E 8.17 4.83 0.00 1.84 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 0.00 2.24 2.44 0.00 71 P 0.00 4.60 0.00 2.10 2.02 0.00 3.77 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 2.11 0.00 72 V 8.51 4.78 2.12 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 1.11 0.00 0.00 1.03 0.00 0.00 73 I 8.95 4.71 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.54 0.94 0.00 0.00 74 L 9.04 5.08 0.00 1.73 1.49 1.06 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 75 N 9.08 5.05 0.00 2.81 3.00 0.00 0.00 6.59 8.30 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 76 A 8.48 4.52 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 77 G 8.52 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 9.18 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.87 4.29 0.00 1.85 1.74 0.92 1.21 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 80 T 7.63 3.92 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 1.29 0.00 0.00 81 H 7.83 4.96 0.00 3.25 3.60 0.00 5.59 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.87 4.58 4.27 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 1.29 0.00 0.00 83 S 8.12 4.24 0.00 3.88 3.89 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 0.00 0.00 0.00 84 V 8.06 3.64 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 0.92 0.00 0.00 0.40 0.00 0.00 85 A 7.78 3.98 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 86 L 7.95 3.93 0.00 1.78 1.67 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.34 3.91 0.00 1.94 2.11 0.00 3.40 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 88 D 7.98 4.38 0.00 2.68 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 89 A 7.78 4.20 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 C 8.17 4.24 0.00 3.24 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 91 A 7.50 4.12 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 7.83 4.04 0.00 2.15 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 2.33 2.27 0.00 93 L 7.51 4.12 0.00 1.68 1.66 0.99 1.17 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 94 S 8.74 4.28 0.00 3.99 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 95 A 7.69 4.38 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 96 P 0.00 4.37 0.00 2.20 2.15 0.00 3.58 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 97 L 8.64 5.17 0.00 1.79 1.50 0.95 0.60 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 98 I 8.73 4.80 1.76 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.63 0.96 0.00 0.00 99 E 9.15 4.81 0.00 2.04 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 0.00 2.22 2.22 0.00 100 V 8.16 4.76 1.57 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 -0.12 0.00 0.00 0.73 0.00 0.00 101 H 9.11 4.83 0.00 2.98 3.08 0.00 5.67 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.73 4.02 1.95 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 1.62 1.31 0.98 0.00 0.00 103 S 7.94 4.31 0.00 3.97 3.87 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 0.00 0.00 0.00 104 N 8.44 4.46 0.00 2.74 2.77 0.00 0.00 6.68 7.71 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 0.00 105 V 8.10 3.67 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 0.50 0.00 0.00 0.86 0.00 0.00 106 H 7.96 4.41 0.00 3.26 3.32 0.00 5.64 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 0.00 107 A 7.67 4.46 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 0.00 108 R 7.23 4.64 0.00 1.65 1.69 0.00 3.19 0.00 0.00 3.16 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 109 E 8.20 3.90 0.00 1.16 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 2.31 2.25 0.00 110 E 8.54 3.91 0.00 1.99 2.02 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 2.36 2.24 0.00 111 F 7.60 4.45 0.00 3.08 3.20 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 0.00 0.00 0.00 0.00 112 R 7.07 3.81 0.00 1.69 1.74 0.00 2.93 0.00 0.00 3.13 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.86 0.00 113 R 7.65 4.21 0.00 1.76 1.83 0.00 3.04 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 114 H 7.55 4.86 0.00 2.98 3.09 0.00 5.90 0.00 0.00 0.00 0.00 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.71 4.35 0.00 3.83 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 8.49 4.29 0.00 3.22 2.98 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 0.00 0.00 0.00 117 L 7.95 4.34 0.00 1.88 1.74 0.96 0.83 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 0.00 118 S 8.01 4.20 0.00 3.89 3.92 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 0.00 119 P 0.00 4.46 0.00 2.05 2.13 0.00 3.75 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 2.04 2.14 0.00 120 I 7.04 4.25 1.90 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 1.28 0.67 0.94 0.00 0.00 121 A 7.55 4.40 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 T 8.99 4.10 4.27 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 1.25 0.00 0.00 123 G 7.65 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 0.00 124 V 8.07 4.89 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 0.86 0.00 0.00 0.95 0.00 0.00 125 I 8.91 4.42 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.40 0.84 0.00 0.00 126 V 8.14 4.75 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 1.05 0.00 0.00 0.95 0.00 0.00 127 G 8.93 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 0.00 0.00 0.00 128 L 7.17 4.11 0.00 1.75 1.74 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.60 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 0.00 0.00 0.00 130 I 8.55 3.97 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.21 0.95 0.00 0.00 131 Q 8.21 4.32 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.61 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 132 G 7.99 3.66 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 0.00 0.00 0.00 133 Y 7.75 4.06 0.00 3.24 3.01 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 0.00 134 L 7.91 4.08 0.00 1.85 1.91 0.95 0.71 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 0.00 135 L 8.41 4.07 0.00 1.67 1.72 0.92 1.09 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 0.00 136 A 7.85 4.12 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 0.00 137 L 7.81 4.02 0.00 1.91 1.76 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 138 R 7.85 3.93 0.00 1.90 1.98 0.00 3.13 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 139 Y 7.75 4.08 0.00 3.14 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 0.00 140 L 7.66 4.09 0.00 1.87 1.75 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.96 4.12 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 0.00 142 E 7.82 4.00 0.00 1.92 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 0.00 2.17 2.28 0.00 143 H 7.64 4.44 0.00 2.86 3.01 0.00 5.93 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.