NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4594 8.3049 120.3190 55.3581 33.4359 174.5150 2 M 4.6134 8.3493 121.7440 52.6120 35.2199 173.5827 3 K 4.5053 8.8458 123.0711 54.7642 36.3855 175.4144 4 K 4.1833 8.5327 125.8005 56.1985 32.7534 176.2257 5 I 4.5527 7.9252 123.5899 59.1230 40.2029 175.1450 6 D 4.6582 8.8096 127.2581 54.5148 41.8710 175.7020 7 V 4.9430 8.3231 121.6671 59.7562 34.7695 174.4621 8 K 4.5734 8.9937 125.0951 54.6414 34.5710 174.7866 9 I 4.3641 8.4413 128.6420 61.2191 37.1249 175.6519 10 L 4.4753 9.0213 127.7007 55.1922 43.2163 176.6314 11 D 4.8631 7.8833 118.4464 51.3980 43.5416 174.1947 12 P 4.4692 0.0000 0.0000 64.5954 31.6872 177.4958 13 R 4.1451 8.3616 118.3461 57.7771 30.2632 176.6417 14 V 4.1897 7.7706 118.9232 63.8551 31.7408 176.1968 15 G 4.1425 9.5398 116.2710 45.1932 0.0000 173.1093 16 K 4.4235 8.0339 114.8060 56.6455 32.4824 177.2315 17 E 3.8903 9.4094 128.3974 59.2716 30.3381 175.6862 18 F 5.3044 8.0593 118.6925 54.6935 40.1010 173.4224 19 P 4.6324 0.0000 0.0000 62.5717 31.8662 176.4426 20 L 4.1977 8.5778 122.6136 54.2250 42.3674 175.5232 21 P 4.3985 0.0000 0.0000 63.3217 31.8320 175.8465 22 T 4.6114 7.8638 110.6136 60.0502 71.9802 172.5791 23 Y 4.3897 8.3731 119.7834 56.8644 38.8814 175.6229 24 A 4.1871 9.0750 128.6976 54.8370 18.7242 176.9895 25 T 4.8106 8.1197 104.4822 59.2167 71.8649 175.0103 26 S 4.1130 8.7975 116.0603 60.5508 62.8938 175.2541 27 G 4.0023 7.4413 107.1616 45.0398 0.0000 173.7098 28 S 4.3077 7.7659 116.5319 58.3297 63.3691 174.3863 29 A 4.3274 8.7806 127.3644 53.5557 19.1224 177.5172 30 G 4.4212 8.0525 100.8923 44.4957 0.0000 172.5833 31 L 4.6831 8.5392 121.4962 52.7486 43.9776 175.6728 32 D 4.9522 8.5507 123.4759 54.0511 41.9731 175.6868 33 L 4.6085 8.8428 123.5636 53.5784 43.6633 175.8104 34 R 5.1762 8.3542 121.2494 54.1207 32.9165 175.7236 35 A 3.8973 8.4443 124.8501 52.2724 19.4315 176.3905 36 C 3.9593 8.7621 125.2292 57.7300 30.9918 172.4634 37 L 4.9062 7.5871 123.0151 52.6159 44.7998 176.5141 38 N 4.6413 9.0269 119.1194 56.1009 39.0258 174.9766 39 D 4.9196 7.6747 114.5705 52.2392 45.2171 175.3213 40 A 4.3193 8.6827 122.1043 52.6924 19.4241 177.0558 41 V 4.2879 8.5938 120.3961 60.9601 34.1082 174.1614 42 E 4.6414 8.8735 129.5900 55.5160 30.6135 175.0698 43 L 4.6971 9.2562 130.2193 53.1648 43.8972 175.6412 44 A 4.5474 8.5318 128.4003 50.6952 20.1015 174.7027 45 P 4.3455 0.0000 0.0000 64.4720 31.6842 177.4420 46 G 4.1733 9.0872 112.0138 45.4094 0.0000 173.1562 47 D 4.9766 8.0168 119.5776 53.8640 42.9846 175.4998 48 T 5.3076 8.3878 115.7594 62.2852 71.9665 173.5485 49 T 4.6838 8.9997 119.0948 60.2558 71.5126 172.1729 50 L 4.8003 8.5734 129.4991 54.0258 43.2297 175.4981 51 V 4.3466 8.9262 127.5851 60.5709 33.3325 173.4629 52 P 4.8635 0.0000 0.0000 62.9891 32.1431 176.9894 53 T 4.1570 8.3437 112.0064 61.0465 70.1289 176.0503 54 G 4.0110 9.4466 110.8547 45.4741 0.0000 172.4439 55 L 5.2781 7.7094 118.5135 54.0054 44.4331 174.6817 56 A 5.2785 9.0059 121.4549 50.1502 22.1910 175.2655 57 I 4.9503 8.5044 113.6532 59.5032 40.9886 175.0720 58 H 4.8019 8.9459 122.4493 54.4755 30.5900 172.9518 59 I 3.7336 8.6372 126.3298 62.8393 37.4095 177.4366 60 A 3.9737 8.3857 125.0921 52.3286 18.3858 177.4504 61 D 4.6018 7.6332 115.9597 52.6618 41.4669 174.9266 62 P 4.5686 0.0000 0.0000 64.0198 31.6880 176.9265 63 S 4.6429 8.5920 115.5025 59.0003 63.1042 173.0044 64 L 5.3710 7.8411 121.9220 53.3364 45.2258 174.9847 65 A 4.9663 9.1259 124.7651 50.5109 23.5025 174.4084 66 A 4.9480 8.5891 119.7523 50.3765 22.5894 175.4254 67 M 5.0989 8.7049 119.1175 53.7777 35.6028 174.7630 68 M 4.8223 8.9285 123.8088 54.2725 34.0847 175.3711 69 L 5.1165 8.8866 122.3999 51.9945 46.4261 174.4751 70 P 4.6719 0.0000 0.0000 62.7772 32.3987 176.4283 71 R 4.2978 8.3962 120.6817 55.5786 31.2698 178.2311 72 S 4.2479 8.7382 117.1299 61.3970 62.9566 177.0612 73 G 3.5645 7.9952 108.7799 47.6452 0.0000 175.2850 74 L 4.0983 8.0406 121.9945 57.2583 41.4953 179.9653 75 G 3.4205 8.0746 105.3024 47.9983 0.0000 175.3569 76 H 4.0996 8.2284 120.2968 58.8032 30.0476 177.1154 77 K 3.9905 8.0962 118.9811 58.5424 32.2289 178.0826 78 H 4.8225 7.8527 112.4818 54.1588 30.1837 174.5346 79 G 3.5823 7.5969 109.1035 46.3535 0.0000 173.1690 80 I 4.2913 7.4772 121.4414 59.8018 37.6666 175.0512 81 V 4.4686 8.2828 123.2233 60.0802 36.0850 174.0455 82 L 5.1690 8.5261 120.2516 53.7927 43.4313 178.5410 83 G 3.5788 9.4063 112.5989 47.6117 0.0000 174.0780 84 N 4.5373 8.0720 114.6365 52.1436 37.6261 174.8106 85 L 4.1661 7.9855 122.8929 54.9499 40.7915 174.3635 86 V 4.5794 7.3619 116.0886 61.0951 34.7308 174.1337 87 G 4.1067 8.9296 114.8881 44.6584 0.0000 172.0121 88 L 5.1553 8.3610 125.2770 53.0283 44.5810 175.2861 89 I 4.2773 8.5556 127.7731 59.5978 39.0913 175.1561 90 N 4.9288 8.6301 125.0474 52.6081 39.2040 176.7915 91 S 4.2244 8.9790 116.2245 60.9897 63.2287 175.3023 92 D 4.8751 8.0037 117.7700 52.9233 39.6727 175.3965 93 Y 4.3619 7.8654 122.2175 57.9790 39.1695 174.9728 94 Q 4.4609 7.8746 123.4295 55.2389 30.4013 175.5001 95 G 3.5020 5.5005 107.7339 43.8220 0.0000 173.3222 96 Q 4.2258 8.2812 120.2354 55.9569 29.4104 175.5031 97 L 4.4219 9.0344 125.7886 55.1016 42.5517 175.9040 98 M 4.8960 8.7406 123.1552 53.5034 35.3826 175.2661 99 I 4.3599 8.6375 122.8257 59.5859 39.8812 174.9642 100 S 4.6924 8.7213 123.1400 57.5426 63.0753 172.4248 101 V 4.7050 8.7744 128.9230 61.1397 33.1766 174.2461 102 W 5.2919 9.1443 135.0000 55.6650 33.7487 173.7460 103 N 4.8546 9.1825 127.0525 52.6178 38.3544 174.9875 104 R 3.3050 8.0867 122.4741 56.1848 30.1632 176.9544 105 G 4.0819 7.4839 109.9628 44.7238 0.0000 173.3746 106 Q 4.5092 8.5388 117.4664 55.6141 29.9680 174.8001 107 D 5.0553 7.6734 118.0200 51.9275 43.2161 176.1238 108 S 4.5005 8.8304 117.8088 58.9420 63.4374 173.0429 109 F 4.8372 8.9585 126.6825 56.8544 43.0559 173.2548 110 T 4.6901 7.5587 122.2064 62.1734 69.6595 174.3085 111 I 4.3682 8.8096 129.3208 60.7689 38.3884 175.2836 112 Q 4.6839 8.9885 126.8551 53.5490 30.7828 174.0556 113 P 4.1634 0.0000 0.0000 64.3592 31.7781 177.1779 114 G 3.8316 8.3063 111.2467 45.0674 0.0000 173.3350 115 E 4.0498 7.7975 122.1885 56.0168 30.8960 176.1518 116 R 4.5296 8.6948 125.7498 56.7551 29.6871 175.7301 117 I 4.4268 8.4900 124.1669 61.0701 40.0715 174.2955 118 A 4.7296 7.5385 121.8577 51.6345 22.8366 174.3394 119 Q 5.0059 8.9568 115.3819 55.2265 32.7540 173.8217 120 M 5.2611 9.0007 119.3261 53.8259 35.8599 173.8673 121 I 4.8803 8.5474 118.8096 59.1418 41.1975 174.1093 122 F 5.1551 8.8534 122.0174 55.9864 40.8354 175.4853 123 V 4.6210 8.6605 116.6511 58.5703 35.3832 173.6386 124 P 4.8972 0.0000 0.0000 63.1492 31.8343 176.0519 125 V 4.6151 8.4697 115.6545 59.5438 35.5452 175.2177 126 V 4.3109 8.3027 121.7409 61.0974 33.6714 174.9359 127 Q 4.2690 8.5701 125.8432 54.5837 29.3934 175.2071 128 A 4.1866 8.3084 126.5165 51.2445 19.5768 175.7494 129 E 4.3694 8.3678 122.8931 53.9942 31.1509 175.5806 130 F 4.6943 8.3700 125.5732 57.3391 39.6843 174.5754 131 N 4.8706 8.6919 123.4682 51.3660 39.5401 173.7788 132 L 4.1754 8.4961 126.4850 54.7523 42.2486 177.3578 133 V 4.5369 7.9314 115.9233 59.2257 35.2819 175.4809 134 E 4.0360 8.7113 122.9982 58.9318 29.8359 176.8182 135 D 4.6143 7.3335 115.1365 52.4641 46.4947 174.2814 136 F 4.2136 8.7610 122.8299 59.4311 37.2476 177.4207 *141 R 3.8359 8.7999 124.8738 56.6966 31.4479 173.7471 *146 F 4.3864 8.2218 117.5708 57.3181 39.1373 174.4751 *151 R 4.2299 7.9855 127.2248 56.0596 30.7438 175.3725 152 Q 4.2081 8.5345 114.9082 56.3871 29.4361 175.1202 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 8.30 4.46 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 2 M 8.35 4.61 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 3 K 8.85 4.51 0.00 1.59 1.48 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.25 1.41 7.81 4 K 8.53 4.18 0.00 1.75 1.70 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.43 7.81 5 I 7.93 4.55 1.74 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 1.24 0.32 0.92 0.00 0.00 6 D 8.81 4.66 0.00 2.62 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 7 V 8.32 4.94 2.11 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 0.72 0.00 0.00 1.01 0.00 0.00 8 K 8.99 4.57 0.00 1.81 1.68 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.38 7.81 9 I 8.44 4.36 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.95 1.02 0.00 0.00 10 L 9.02 4.48 0.00 1.55 1.73 0.90 0.84 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 11 D 7.88 4.86 0.00 2.68 2.55 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 12 P 0.00 4.47 0.00 2.20 2.15 0.00 3.83 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 13 R 8.36 4.15 0.00 1.87 1.25 0.00 2.63 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.38 0.00 14 V 7.77 4.19 2.27 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 0.80 0.00 0.00 1.17 0.00 0.00 15 G 9.54 4.14 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 0.00 0.00 0.00 16 K 8.03 4.42 0.00 1.76 1.40 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.33 7.81 17 E 9.41 3.89 0.00 1.46 1.54 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 2.18 2.26 0.00 18 F 8.06 5.30 0.00 2.97 2.82 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 0.00 0.00 0.00 0.00 19 P 0.00 4.63 0.00 1.97 2.04 0.00 3.80 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.19 0.00 20 L 8.58 4.20 0.00 1.55 1.63 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.40 0.00 1.99 2.08 0.00 3.64 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 2.04 2.08 0.00 22 T 7.86 4.61 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 1.23 0.00 0.00 23 Y 8.37 4.39 0.00 3.02 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 24 A 9.08 4.19 1.33 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 0.00 0.00 25 T 8.12 4.81 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 1.24 0.00 0.00 26 S 8.80 4.11 0.00 3.97 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 27 G 7.44 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 28 S 7.77 4.31 0.00 4.10 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 29 A 8.78 4.33 1.33 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 0.00 0.00 30 G 8.05 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 0.00 0.00 0.00 0.00 31 L 8.54 4.68 0.00 1.44 1.36 1.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.55 4.95 0.00 2.54 2.58 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 33 L 8.84 4.61 0.00 1.55 1.54 0.89 0.99 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 34 R 8.35 5.18 0.00 1.61 1.69 0.00 3.43 0.00 0.00 3.40 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 35 A 8.44 3.90 1.19 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 36 C 8.76 3.96 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.59 4.91 0.00 1.46 1.65 0.89 1.11 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 38 N 9.03 4.64 0.00 2.75 2.91 0.00 0.00 6.75 8.06 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 39 D 7.67 4.92 0.00 2.50 2.52 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 40 A 8.68 4.32 1.26 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 0.00 0.00 41 V 8.59 4.29 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 1.00 0.00 0.00 0.94 0.00 0.00 42 E 8.87 4.64 0.00 1.99 1.85 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 0.00 2.27 2.38 0.00 43 L 9.26 4.70 0.00 1.84 1.66 1.00 1.24 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 44 A 8.53 4.55 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 45 P 0.00 4.35 0.00 2.07 2.20 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 46 G 9.09 4.17 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 0.00 0.00 0.00 47 D 8.02 4.98 0.00 2.91 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 48 T 8.39 5.31 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 1.29 0.00 0.00 49 T 9.00 4.68 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 1.26 0.00 0.00 50 L 8.57 4.80 0.00 1.68 1.57 0.92 0.90 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 51 V 8.93 4.35 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 0.96 0.00 0.00 0.94 0.00 0.00 52 P 0.00 4.86 0.00 2.24 2.08 0.00 3.72 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 53 T 8.34 4.16 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 1.25 0.00 0.00 54 G 9.45 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 55 L 7.71 5.28 0.00 1.83 1.76 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 56 A 9.01 5.28 1.24 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 0.00 0.00 0.00 57 I 8.50 4.95 2.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.95 1.03 0.00 0.00 58 H 8.95 4.80 0.00 3.10 3.22 0.00 5.78 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.64 3.73 1.99 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.87 1.05 0.00 0.00 60 A 8.39 3.97 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.63 4.60 0.00 2.68 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 62 P 0.00 4.57 0.00 2.22 2.17 0.00 3.42 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 63 S 8.59 4.64 0.00 4.07 3.93 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 0.00 0.00 0.00 64 L 7.84 5.37 0.00 1.65 1.55 1.06 1.03 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 65 A 9.13 4.97 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.59 4.95 0.68 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 67 M 8.70 5.10 0.00 1.85 1.87 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 68 M 8.93 4.82 0.00 1.88 1.91 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 69 L 8.89 5.12 0.00 1.49 1.48 0.91 0.79 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 70 P 0.00 4.67 0.00 1.91 1.95 0.00 3.66 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 2.03 2.13 0.00 71 R 8.40 4.30 0.00 1.85 1.83 0.00 3.20 0.00 0.00 3.50 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 72 S 8.74 4.25 0.00 4.03 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 73 G 8.00 3.56 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 0.00 0.00 0.00 74 L 8.04 4.10 0.00 1.78 1.73 0.97 0.84 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 75 G 8.07 3.42 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 0.00 76 H 8.23 4.10 0.00 3.07 3.43 0.00 5.95 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 77 K 8.10 3.99 0.00 1.68 1.58 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.56 7.81 78 H 7.85 4.82 0.00 3.05 3.11 0.00 5.83 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 7.60 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 0.00 0.00 0.00 80 I 7.48 4.29 1.38 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 -0.36 0.57 0.00 0.00 81 V 8.28 4.47 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 0.63 0.00 0.00 0.77 0.00 0.00 82 L 8.53 5.17 0.00 1.69 1.76 0.90 0.86 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 83 G 9.41 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 0.00 0.00 0.00 84 N 8.07 4.54 0.00 2.79 2.87 0.00 0.00 6.11 7.79 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 85 L 7.99 4.17 0.00 1.87 1.92 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.36 4.58 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 0.81 0.00 0.00 0.93 0.00 0.00 87 G 8.93 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 88 L 8.36 5.16 0.00 1.57 1.48 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.56 4.28 1.83 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.97 0.98 0.00 0.00 90 N 8.63 4.93 0.00 2.71 2.86 0.00 0.00 6.84 7.78 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 91 S 8.98 4.22 0.00 4.09 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 0.00 92 D 8.00 4.88 0.00 2.85 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 93 Y 7.87 4.36 0.00 2.93 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 94 Q 7.87 4.46 0.00 1.81 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 1.99 2.29 0.00 95 G 5.50 3.50 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 0.00 0.00 0.00 96 Q 8.28 4.23 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 97 L 9.03 4.42 0.00 1.69 1.63 0.98 1.04 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 98 M 8.74 4.90 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.75 0.00 99 I 8.64 4.36 1.87 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 1.10 0.86 0.90 0.00 0.00 100 S 8.72 4.69 0.00 3.89 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 0.00 101 V 8.77 4.71 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 0.99 0.00 0.00 0.99 0.00 0.00 102 W 9.14 5.29 0.00 3.32 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.18 4.85 0.00 2.78 2.81 0.00 0.00 6.55 7.19 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 0.00 104 R 8.09 3.31 0.00 0.85 0.66 0.00 2.81 0.00 0.00 2.89 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.15 0.00 105 G 7.48 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 0.00 106 Q 8.54 4.51 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.63 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 107 D 7.67 5.06 0.00 2.56 2.59 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 0.00 108 S 8.83 4.50 0.00 3.90 3.79 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 0.00 0.00 0.00 109 F 8.96 4.84 0.00 3.11 2.77 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 0.00 110 T 7.56 4.69 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 1.10 0.00 0.00 111 I 8.81 4.37 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.86 0.96 0.00 0.00 112 Q 8.99 4.68 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.94 0.00 0.00 0.00 0.00 0.00 2.19 2.38 0.00 113 P 0.00 4.16 0.00 2.20 2.37 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 114 G 8.31 3.83 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 0.00 0.00 0.00 115 E 7.80 4.05 0.00 2.15 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 2.35 2.32 0.00 116 R 8.69 4.53 0.00 1.74 1.90 0.00 3.22 0.00 0.00 3.16 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 117 I 8.49 4.43 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.72 0.89 0.00 0.00 118 A 7.54 4.73 1.24 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 0.00 0.00 0.00 119 Q 8.96 5.01 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 120 M 9.00 5.26 0.00 1.93 1.77 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 1.92 0.00 121 I 8.55 4.88 1.91 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 1.31 1.09 0.99 0.00 0.00 122 F 8.85 5.16 0.00 3.04 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 0.00 123 V 8.66 4.62 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 0.75 0.00 0.00 0.94 0.00 0.00 124 P 0.00 4.90 0.00 1.95 2.00 0.00 3.65 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 125 V 8.47 4.62 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 0.66 0.00 0.00 0.95 0.00 0.00 126 V 8.30 4.31 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 0.83 0.00 0.00 0.93 0.00 0.00 127 Q 8.57 4.27 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 128 A 8.31 4.19 1.08 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 0.00 129 E 8.37 4.37 0.00 1.86 1.82 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 0.00 2.18 2.25 0.00 130 F 8.37 4.69 0.00 3.10 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 0.00 131 N 8.69 4.87 0.00 2.70 2.81 0.00 0.00 7.13 7.78 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 0.00 132 L 8.50 4.18 0.00 1.67 1.60 0.98 0.92 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 0.00 133 V 7.93 4.54 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 0.82 0.00 0.00 0.88 0.00 0.00 134 E 8.71 4.04 0.00 1.86 1.91 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 2.25 2.33 0.00 135 D 7.33 4.61 0.00 2.59 2.44 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 0.00 136 F 8.76 4.21 0.00 3.08 2.67 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 *141 R 8.80 3.84 0.00 1.79 1.90 0.00 3.42 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 *146 F 8.22 4.39 0.00 3.11 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 *151 R 7.99 4.23 0.00 1.77 1.91 0.00 3.22 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 152 Q 8.53 4.21 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.42 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.