NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2519 8.1185 123.5772 51.5333 20.2462 177.3002 3 A 3.7159 8.5308 121.3208 54.8619 18.0424 178.1765 4 A 3.7373 8.4236 120.8301 55.5806 18.7624 178.0525 5 A 4.0783 7.8273 119.7523 54.6195 18.5030 179.1301 6 E 3.6144 8.2597 117.9788 59.5031 29.5689 179.2050 7 L 3.9629 8.2280 119.3275 57.5683 41.4594 179.4468 8 S 4.2296 8.2032 115.2584 61.5946 62.8382 176.1777 9 L 3.9461 7.9562 122.9915 58.4146 41.7999 178.8184 10 L 4.2029 8.1445 119.8939 58.2187 41.9368 178.5647 11 E 4.0404 8.5963 118.8368 59.5628 29.4985 179.6909 12 K 4.0118 8.0664 117.9174 59.7410 32.2662 179.3773 13 S 4.3465 8.1470 115.4218 61.7724 62.6041 176.2422 14 L 4.5538 7.9008 118.4488 54.2580 41.7788 177.0629 15 G 3.8577 8.3909 107.3325 46.4276 0.0000 173.3576 16 L 4.4955 8.2076 120.4560 53.2748 42.5995 176.4213 17 S 4.4448 8.4948 118.5918 59.8436 64.2186 174.4909 18 K 3.7152 8.1377 120.3092 55.6916 32.1241 176.9622 19 G 3.6489 8.6947 113.3558 45.6842 0.0000 172.0751 20 N 4.6471 8.5506 124.2419 51.9306 40.3007 175.2323 21 K 4.0548 8.1365 124.0300 53.6916 32.8415 173.6483 22 Y 5.4667 7.9794 121.5502 54.6628 39.2867 175.7236 23 S 4.4776 8.7934 119.3380 58.1435 64.3443 172.0837 24 A 4.8559 8.3801 124.3888 50.4327 20.5275 176.5968 25 Q 4.1366 8.3198 122.7454 55.7584 32.2025 175.6888 26 G 4.0179 9.1158 113.7406 45.9403 0.0000 173.9708 27 E 4.0352 8.5598 115.0896 58.7440 29.8487 179.5294 28 R 4.0370 7.9806 116.3262 57.2487 30.3154 176.2126 29 Q 3.6007 7.7704 115.8346 56.8084 26.4647 174.0161 30 I 4.0470 7.3701 118.8944 60.6003 38.2115 175.0754 31 P 4.8258 0.0000 0.0000 62.8117 32.6990 175.7564 32 V 4.6734 8.2499 120.3131 61.1776 34.8724 173.6709 33 L 4.9895 9.5540 130.8685 53.6054 44.3524 175.1777 34 Q 4.8315 8.6416 125.8602 54.7392 29.1186 174.9685 35 T 4.1963 7.9506 116.0451 60.2139 70.2983 176.0113 36 N 4.8748 8.3777 125.2996 53.1019 37.7451 174.7950 37 N 4.7678 7.7684 113.9423 54.6118 43.1024 175.8225 38 G 4.3430 7.5187 103.5342 44.6336 0.0000 170.5070 39 P 4.3416 0.0000 0.0000 62.1516 32.5604 175.8477 40 S 4.6162 8.7261 119.7479 58.4171 63.1359 172.9715 41 L 4.6816 9.0411 126.7206 52.6510 45.7748 175.5455 *43 G 3.8874 8.3067 107.3386 45.2472 0.0000 173.3064 44 L 3.8777 8.6725 125.6771 58.6174 42.0887 179.6821 45 T 3.9639 7.8353 108.8735 64.7389 68.8391 176.6262 46 T 3.8464 7.8380 118.0709 66.6328 68.5275 176.3285 47 I 3.7390 7.9209 121.3650 64.3595 37.1291 178.2252 48 A 3.9862 8.2871 121.5086 55.3495 18.0684 179.6109 49 A 3.9657 8.1463 119.1185 55.3415 18.3445 179.3692 50 H 4.0987 8.1146 116.8364 59.4142 29.9736 177.4760 51 L 3.9718 8.2166 121.0016 57.8514 41.4896 179.5565 52 V 3.5687 7.7519 118.1013 66.0060 31.3770 178.2845 53 K 3.9638 7.8241 118.1130 59.6216 31.7043 179.2572 54 Q 3.9995 7.9841 116.9576 58.6347 28.6610 178.0219 55 A 4.3338 7.6448 118.5015 50.7599 19.7425 176.3964 56 N 4.1583 8.0374 115.6897 55.2676 38.1960 174.0641 57 K 4.8399 7.9321 111.4903 55.4571 33.7155 179.0126 58 E 4.0002 8.3518 119.8602 59.0626 29.5088 177.9950 59 Y 4.1934 8.1496 117.7604 60.0783 37.7587 178.1911 60 L 3.8555 7.1530 120.0267 56.4708 41.7582 178.1943 61 L 4.3273 7.7438 118.4819 53.3980 42.0041 176.4979 62 G 4.3608 7.3158 106.7576 45.0919 0.0000 173.8734 63 S 4.5203 8.7590 116.5699 59.7576 64.2025 175.7076 64 T 4.5441 7.4301 109.3831 59.7991 72.1746 175.1565 65 A 3.9822 8.3967 122.9515 55.4720 18.0932 179.8605 66 E 3.9514 8.0573 115.6040 59.5859 29.7298 178.7336 67 E 4.1645 7.9429 117.8933 59.1267 29.9408 178.5259 68 K 4.7575 8.6734 120.0039 58.7841 32.0659 179.5678 69 A 4.2360 7.6794 116.8717 52.9102 18.0168 179.2486 *71 V 4.0356 7.6885 121.1751 64.5770 33.5079 177.4866 72 Q 4.0022 8.2839 118.7797 59.1707 28.4714 178.9301 73 Q 3.7836 8.1089 120.1804 59.1730 29.0916 178.5638 74 W 4.0310 7.9824 119.0689 59.1149 29.1399 178.5993 75 L 4.0780 8.3499 119.6961 57.9065 40.9956 179.1258 76 E 3.9701 8.3827 119.2947 59.2441 29.4271 178.2039 77 Y 3.8824 8.1572 119.8980 60.4474 38.8318 177.7171 78 R 4.0535 8.4120 119.7152 59.6203 30.0436 178.2671 79 V 4.2905 7.7690 109.9412 61.6340 31.9437 177.2353 80 T 4.3559 7.4574 108.8875 62.4568 70.2350 174.9494 81 Q 4.1195 7.9238 119.1058 56.6419 30.2666 177.1727 82 V 3.7199 7.3971 116.2570 65.2701 32.3027 175.9388 83 D 4.3564 8.0446 120.3817 54.3276 41.2594 177.0756 *84 G 3.8830 8.4158 108.7560 45.5580 0.0000 172.1234 *89 N 4.8238 7.8562 118.8212 53.6844 40.0044 175.8531 90 D 4.8755 8.6046 117.2258 52.9910 39.7124 177.1453 91 I 3.5069 7.4136 115.2260 64.3252 37.2862 177.6476 92 H 3.8736 8.0633 117.0683 58.9386 28.6157 177.3626 93 T 4.0403 7.7705 116.4210 66.3456 68.6048 175.9683 94 L 4.1450 7.6151 121.6970 58.1188 42.0959 180.4807 95 L 3.8434 8.2931 117.8724 55.2176 41.5633 178.9045 *97 D 4.6186 8.0808 120.7699 54.4095 43.0348 177.8154 98 L 4.0216 8.2616 120.6661 58.0085 41.7197 178.4262 99 N 4.3265 8.3708 116.7058 56.8605 39.0884 176.7769 100 S 4.2765 8.0444 115.9701 61.7827 62.8469 175.6587 101 Y 4.0823 7.8703 120.9920 60.5575 38.9331 177.5179 102 L 4.0265 7.9042 117.7453 55.0455 41.7901 178.4180 103 E 4.2105 7.7782 118.3929 58.3415 29.4166 177.2509 104 D 4.8151 7.5553 116.3317 52.4806 39.9240 175.5156 105 K 4.4716 7.5203 117.3693 54.9913 35.7957 176.2623 106 V 3.7371 8.1548 120.0875 64.1372 32.3965 175.8116 107 Y 5.0782 7.2103 115.6204 55.6082 40.7490 176.2705 108 L 3.4987 9.1987 125.0323 58.0343 42.1077 178.2042 109 T 4.3550 7.8767 105.4593 61.2571 69.5942 173.8978 110 G 3.6918 7.2818 114.9411 46.1368 0.0000 174.6695 111 Y 4.6494 8.1385 115.3469 58.0723 40.4762 175.6080 112 N 5.0326 7.9794 114.0254 50.7259 42.1016 173.7174 113 F 3.7866 7.8081 123.0663 58.0809 40.1316 174.5375 114 T 4.4012 7.6982 116.5608 58.4586 72.2986 174.1617 115 L 3.6461 8.4621 122.7682 58.5245 41.6710 178.6644 116 A 4.0251 7.4747 119.1282 55.3713 18.2288 179.4032 117 D 4.5036 7.6718 116.7184 57.5431 40.8370 178.9129 118 I 3.3911 7.2236 119.6326 64.4860 37.2122 178.3979 119 L 4.0641 7.9589 119.6295 57.6755 41.3178 179.4802 120 L 4.2317 8.1645 120.5479 58.0774 42.0628 178.1047 121 Y 4.2969 8.4256 119.6314 61.2656 38.4878 177.7587 122 Y 4.3512 7.9066 116.3327 61.2757 38.0522 178.8801 123 G 3.9017 8.3067 105.6170 47.4170 0.0000 175.2175 124 L 4.7562 8.6676 120.1323 56.0937 41.9948 178.1961 125 H 4.3428 8.2350 119.1859 59.6110 29.4553 177.1247 126 R 3.8570 7.8207 116.1002 59.1572 29.1733 178.3770 127 F 4.4329 7.8574 118.0367 60.2414 39.0743 177.7463 128 I 3.6881 8.0268 119.6077 64.3093 36.6229 178.2847 129 V 3.4750 7.3783 117.8871 66.1484 31.2877 176.9478 130 D 4.6279 7.3490 114.0109 53.7239 41.3901 176.8460 131 L 4.4238 7.0710 120.4725 54.6772 42.4859 177.4642 132 T 4.3753 8.2837 112.3870 60.6759 71.5191 176.2443 133 V 3.5703 8.1843 120.3936 66.3518 31.4759 177.9373 134 Q 4.0009 8.0449 117.1548 59.0663 28.5805 178.6248 135 E 3.8027 8.0856 119.0810 59.2841 29.2992 179.3562 136 K 4.1948 7.9446 118.8165 59.1160 32.2130 178.8935 137 E 4.1535 8.1585 117.7694 59.0829 29.4131 178.9437 138 K 3.9473 7.8118 119.0691 58.5708 33.7076 177.8710 139 Y 4.9194 7.5331 118.4540 56.4770 34.6023 176.1734 140 L 4.0366 7.7436 123.6158 58.2271 42.3550 179.2770 141 N 4.3948 8.7700 116.2708 56.0587 38.5281 177.7069 142 V 3.7779 8.0901 119.1929 66.2596 31.5798 178.0901 143 S 4.0872 8.5205 115.1047 61.5141 62.6796 176.6779 144 R 3.8408 8.1847 121.4638 59.0555 29.8420 178.3917 145 W 4.0169 8.3767 128.1854 60.4699 30.6677 177.7433 146 F 3.2291 8.7427 121.0401 61.1158 38.9089 176.5691 147 C 4.0179 8.0446 118.7939 62.5285 31.0308 175.0107 148 H 4.0464 7.7218 118.7864 59.4046 29.7751 177.0587 149 I 3.4732 7.1134 121.4913 64.1504 36.5375 178.1010 150 Q 3.3684 7.2244 119.5328 58.8257 28.8503 177.3617 151 H 4.6457 7.4132 113.8230 54.8204 29.7906 174.8391 152 Y 3.7057 7.2525 124.1254 56.3145 39.1268 173.3085 153 P 4.2321 0.0000 0.0000 64.4369 31.6120 176.8364 154 G 4.0521 8.9232 111.2459 45.7425 0.0000 174.5028 155 I 4.1410 7.6755 119.6908 63.6619 37.7040 177.5320 156 R 4.3624 8.1497 120.0905 58.1538 31.3575 178.1463 157 Q 3.3659 7.6761 114.3297 57.6465 27.5014 174.9715 158 H 4.6960 8.7634 122.8846 56.4063 29.1065 175.2440 159 L 4.0584 7.3196 121.1173 54.7403 41.9950 177.1457 160 S 4.4093 8.4542 116.1490 58.2800 63.8896 173.7329 161 S 4.8321 8.4617 118.8993 57.5682 63.7236 174.3188 162 V 3.7789 8.8143 125.6522 62.1039 32.0641 175.4188 163 V 3.9262 7.8065 125.9275 61.8109 31.9648 175.1042 164 F 4.8703 8.6400 125.5982 55.6828 41.4820 174.4496 165 I 4.3200 8.5468 126.5742 59.8782 38.2464 175.0804 166 K 4.5403 8.4479 124.9635 54.6111 33.5835 175.3426 167 N 4.1451 8.6097 119.6860 54.5798 38.6663 174.7742 168 R 3.7887 8.7686 119.9727 56.7186 27.8383 176.2662 169 L 4.3076 7.7795 121.4151 53.8726 41.3680 176.8996 *170 Y 4.3515 8.1995 121.0222 56.8339 37.5075 172.9418 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 2 A 8.12 4.25 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 3 A 8.53 3.72 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 4 A 8.42 3.74 1.40 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 0.00 0.00 0.00 5 A 7.83 4.08 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 6 E 8.26 3.61 0.00 1.97 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 0.00 2.36 2.33 0.00 7 L 8.23 3.96 0.00 1.24 1.29 0.43 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.20 4.23 0.00 3.91 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 9 L 7.96 3.95 0.00 1.80 1.52 0.79 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.14 4.20 0.00 2.03 1.93 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.60 4.04 0.00 2.39 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 0.00 2.44 2.65 0.00 12 K 8.07 4.01 0.00 2.06 1.90 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.75 7.81 13 S 8.15 4.35 0.00 4.19 4.09 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 14 L 7.90 4.55 0.00 1.87 1.74 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.39 3.86 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 0.00 0.00 0.00 16 L 8.21 4.50 0.00 1.78 1.65 1.05 0.69 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 17 S 8.49 4.44 0.00 3.98 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 18 K 8.14 3.72 0.00 2.02 1.84 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.46 1.05 7.81 19 G 8.69 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.55 4.65 0.00 2.64 2.27 0.00 0.00 6.94 7.61 0.00 0.00 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 K 8.14 4.05 0.00 1.77 1.59 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.32 1.02 7.81 22 Y 7.98 5.47 0.00 2.90 2.90 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 23 S 8.79 4.48 0.00 3.93 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 24 A 8.38 4.86 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 Q 8.32 4.14 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.50 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 26 G 9.12 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 0.00 0.00 0.00 27 E 8.56 4.04 0.00 2.00 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 2.23 1.90 0.00 28 R 7.98 4.04 0.00 1.79 2.02 0.00 3.32 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 29 Q 7.77 3.60 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 30 I 7.37 4.05 1.87 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 1.28 1.12 0.91 0.00 0.00 31 P 0.00 4.83 0.00 1.94 1.94 0.00 3.69 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 32 V 8.25 4.67 2.13 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 0.97 0.00 0.00 0.96 0.00 0.00 33 L 9.55 4.99 0.00 2.04 1.74 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.64 4.83 0.00 1.92 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 35 T 7.95 4.20 4.37 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 1.13 0.00 0.00 36 N 8.38 4.87 0.00 2.74 2.86 0.00 0.00 6.83 8.00 0.00 0.00 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 N 7.77 4.77 0.00 2.63 2.79 0.00 0.00 6.99 7.65 0.00 0.00 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 G 7.52 4.34 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 0.00 39 P 0.00 4.34 0.00 2.06 1.99 0.00 3.59 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 2.11 2.09 0.00 40 S 8.73 4.62 0.00 3.88 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 41 L 9.04 4.68 0.00 1.56 1.54 0.78 0.75 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 *43 G 8.31 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 0.00 0.00 0.00 44 L 8.67 3.88 0.00 1.75 1.69 0.91 0.80 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 45 T 7.84 3.96 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 1.27 0.00 0.00 46 T 7.84 3.85 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 1.22 0.00 0.00 47 I 7.92 3.74 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.67 0.98 0.00 0.00 48 A 8.29 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 49 A 8.15 3.97 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 50 H 8.11 4.10 0.00 3.24 3.56 0.00 5.79 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 51 L 8.22 3.97 0.00 1.90 1.75 1.04 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.75 3.57 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 0.90 0.00 0.00 0.90 0.00 0.00 53 K 7.82 3.96 0.00 1.90 1.81 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.56 1.68 7.81 54 Q 7.98 4.00 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.04 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 55 A 7.64 4.33 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 56 N 8.04 4.16 0.00 2.82 2.86 0.00 0.00 6.87 6.22 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 57 K 7.93 4.84 0.00 1.72 1.31 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.60 1.61 7.81 58 E 8.35 4.00 0.00 2.03 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 2.38 2.37 0.00 59 Y 8.15 4.19 0.00 3.28 3.26 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 L 7.15 3.86 0.00 1.49 1.58 0.77 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.74 4.33 0.00 1.77 1.67 0.90 0.88 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 62 G 7.32 4.36 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 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4.00 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 73 Q 8.11 3.78 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 1.40 1.98 0.00 74 W 7.98 4.03 0.00 3.43 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 75 L 8.35 4.08 0.00 1.84 1.75 0.93 0.98 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 76 E 8.38 3.97 0.00 2.00 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 2.24 2.27 0.00 77 Y 8.16 3.88 0.00 2.77 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 78 R 8.41 4.05 0.00 2.20 2.28 0.00 3.34 0.00 0.00 3.54 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 79 V 7.77 4.29 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 0.93 0.00 0.00 1.00 0.00 0.00 80 T 7.46 4.36 4.15 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 81 Q 7.92 4.12 0.00 1.04 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.94 0.00 0.00 0.00 0.00 0.00 2.05 1.93 0.00 82 V 7.40 3.72 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 0.99 0.00 0.00 0.96 0.00 0.00 83 D 8.04 4.36 0.00 2.82 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 *84 G 8.42 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 *89 N 7.86 4.82 0.00 2.79 1.95 0.00 0.00 7.07 8.47 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 90 D 8.60 4.88 0.00 2.88 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 91 I 7.41 3.51 1.34 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.51 -0.22 0.00 0.00 92 H 8.06 3.87 0.00 3.20 3.52 0.00 5.70 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 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135 E 8.09 3.80 0.00 2.26 2.13 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 2.36 2.34 0.00 136 K 7.94 4.19 0.00 1.97 2.12 0.00 1.56 0.00 0.00 1.37 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.66 1.58 7.81 137 E 8.16 4.15 0.00 2.10 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 2.38 2.44 0.00 138 K 7.81 3.95 0.00 1.61 1.22 0.00 1.57 0.00 0.00 1.19 0.00 0.00 2.98 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.11 1.29 7.81 139 Y 7.53 4.92 0.00 3.14 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 0.00 140 L 7.74 4.04 0.00 1.73 1.77 0.93 0.71 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 0.00 141 N 8.77 4.39 0.00 3.00 2.84 0.00 0.00 6.67 7.76 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 0.00 142 V 8.09 3.78 2.34 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 1.34 0.00 0.00 0.91 0.00 0.00 143 S 8.52 4.09 0.00 4.09 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 0.00 144 R 8.18 3.84 0.00 1.91 2.10 0.00 3.22 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 145 W 8.38 4.02 0.00 3.37 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 0.00 146 F 8.74 3.23 0.00 3.45 3.02 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 0.00 147 C 8.04 4.02 0.00 2.19 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 0.00 148 H 7.72 4.05 0.00 3.14 3.29 0.00 6.01 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 0.00 149 I 7.11 3.47 0.65 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 -0.10 0.11 0.00 0.00 150 Q 7.22 3.37 0.00 1.88 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.01 2.35 0.00 151 H 7.41 4.65 0.00 3.12 3.24 0.00 5.71 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Y 7.25 3.71 0.00 2.94 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 0.00 153 P 0.00 4.23 0.00 1.82 1.85 0.00 2.33 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.81 0.00 154 G 8.92 4.05 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 0.00 0.00 0.00 155 I 7.68 4.14 1.88 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.29 0.76 0.00 0.00 156 R 8.15 4.36 0.00 2.06 1.98 0.00 3.58 0.00 0.00 3.44 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.85 0.00 157 Q 7.68 3.37 0.00 2.25 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 158 H 8.76 4.70 0.00 3.24 3.44 0.00 5.73 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 L 7.32 4.06 0.00 1.78 1.44 0.72 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 160 S 8.45 4.41 0.00 4.04 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 0.00 161 S 8.46 4.83 0.00 3.96 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 0.00 162 V 8.81 3.78 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 0.03 0.00 0.00 0.94 0.00 0.00 163 V 7.81 3.93 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 0.84 0.00 0.00 0.89 0.00 0.00 164 F 8.64 4.87 0.00 3.16 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 0.00 165 I 8.55 4.32 1.92 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 1.44 0.81 0.94 0.00 0.00 166 K 8.45 4.54 0.00 1.84 1.74 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.52 7.81 167 N 8.61 4.15 0.00 2.72 2.79 0.00 0.00 7.14 7.66 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 0.00 168 R 8.77 3.79 0.00 1.97 2.04 0.00 3.18 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 169 L 7.78 4.31 0.00 1.84 1.65 0.93 0.83 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 *170 Y 8.20 4.35 0.00 2.08 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.