NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 3.9195 8.0249 114.1948 60.0432 39.6661 176.0069 3 W 4.6259 7.2151 121.2487 56.6113 29.2742 174.3025 4 K 4.5845 10.2720 122.4337 56.1147 34.2101 176.1860 5 R 4.7212 7.8748 117.0344 53.8931 33.4116 174.7519 6 K 4.4758 8.1457 119.5382 55.7390 34.4217 175.5958 7 I 4.0774 7.5430 118.1253 59.7364 40.7390 173.9087 8 T 4.5371 7.7162 121.1608 61.8939 71.9117 176.0777 9 L 3.9543 8.1469 122.5960 57.7258 41.7115 179.6135 10 E 3.9070 8.1209 118.0321 59.3218 29.2525 179.0427 11 A 3.9187 7.7808 118.6240 55.1404 18.6200 178.8783 12 L 3.8538 7.5051 115.9664 58.3991 41.7966 179.3744 13 N 4.5946 8.4148 114.8697 55.9813 38.8045 178.3336 14 A 4.2530 8.0582 124.0436 51.5731 18.3797 179.2167 *16 G 3.8927 8.1570 111.1518 45.7179 0.0000 173.6252 17 E 3.8832 7.6173 120.5158 57.8825 29.5164 177.4088 18 G 3.9315 8.9839 112.7880 44.8329 0.0000 172.8497 19 N 4.8263 8.0810 113.5987 53.6832 38.2568 176.5660 *21 V 4.0068 8.8235 116.0069 62.3281 34.4634 176.8356 22 G 3.5163 8.0013 105.7414 47.9559 0.0000 175.1542 23 F 4.6313 7.9187 118.0154 58.8292 39.0771 176.6360 24 L 4.4915 7.7291 116.6701 53.1626 42.5084 175.1750 25 D 4.3106 7.7642 117.5071 55.0921 40.1745 173.4337 26 I 4.3010 7.5630 118.2042 60.6486 38.1723 176.6015 27 R 4.8303 8.5775 125.8010 54.2192 33.5759 174.8140 28 F 4.6299 9.7650 123.2459 57.3491 39.1795 175.3592 29 E 4.7386 9.0650 122.0396 56.3896 31.4709 175.6471 30 H 4.7561 7.9152 118.6098 54.9210 33.6421 171.9662 31 I 4.7440 8.1124 124.8370 59.7250 40.2027 174.3157 32 G 4.4358 9.1792 121.7418 44.2322 0.0000 171.7679 33 D 4.7030 8.9322 118.2963 57.4570 40.8766 177.4724 34 D 4.4949 7.9633 114.6123 53.4448 41.0473 175.2986 35 T 5.3185 8.4568 114.4538 62.4814 73.2439 172.4899 36 L 5.3605 9.1103 125.4530 53.6061 45.7750 174.9805 37 E 5.8737 9.8128 124.5281 53.8081 33.7185 174.6831 38 A 4.9684 8.3585 122.7282 51.1419 23.1973 175.5664 39 T 5.3949 8.6470 111.2035 58.5368 72.1894 171.1625 *41 P 4.4692 0.0000 0.0000 63.4410 32.6791 176.9596 42 V 4.2983 8.8244 122.7171 61.7211 31.2363 174.1533 43 D 4.6331 9.1410 126.7846 51.8348 42.1678 176.2435 44 S 4.1057 8.7783 112.9181 61.9117 62.5990 175.9569 45 R 4.1510 8.2034 119.1770 57.9828 30.2679 177.2059 46 T 4.5891 10.1614 105.7306 60.9112 69.3753 173.4155 47 K 4.9138 7.9129 120.7215 55.2711 34.2269 175.8355 48 Q 4.5962 8.7495 119.9866 53.9330 30.4510 174.8580 49 P 4.1017 0.0000 0.0000 65.8328 31.2557 177.1621 50 F 4.4720 8.9387 115.2404 57.4850 38.8165 177.1406 51 G 3.9729 8.2495 110.5196 45.2281 0.0000 174.2477 52 L 4.7476 7.3990 119.2063 52.7382 44.4419 175.5647 53 L 4.3878 8.3509 123.2309 55.8307 42.6482 176.2301 54 H 4.2184 9.6873 127.3958 55.8549 30.4012 176.3117 55 G 3.6482 8.9774 112.6218 48.0057 0.0000 175.9025 56 G 3.6668 8.4694 107.1327 47.4357 0.0000 175.3757 57 A 4.0066 7.9608 123.1181 55.3039 18.3968 179.8932 58 S 4.0816 8.0326 113.0255 61.8269 62.8916 177.0200 59 V 3.6640 7.6515 120.8447 65.6407 31.2386 178.2316 60 V 3.5733 8.0425 118.6604 65.8602 31.3232 177.7948 61 L 3.8768 7.9485 119.7628 57.9669 41.9249 178.6592 62 A 3.9804 8.0511 120.6686 55.3906 18.4134 179.3120 63 E 4.0135 8.5648 118.0649 59.3103 29.7057 179.3071 64 S 4.1499 8.1707 115.3504 61.6367 62.9363 176.7228 65 I 4.0793 8.0118 122.6757 64.4707 36.8968 178.7827 66 G 3.3972 8.4995 107.2810 47.6111 0.0000 175.9048 67 S 4.1227 8.1777 116.5517 61.3199 63.1448 177.0824 68 V 3.5494 7.6652 115.4611 63.7704 31.0060 178.3447 69 A 3.9783 7.6883 119.8392 55.0494 18.4183 179.4203 70 G 4.1363 7.4014 104.1674 48.3398 0.0000 175.1043 71 Y 4.1586 8.1632 122.0783 60.3910 38.8225 177.7383 72 L 4.2982 8.4199 118.0152 56.1518 41.3483 177.7587 73 C 4.9843 7.9123 116.4621 59.4157 28.4947 172.9527 74 T 4.7235 7.7265 109.6892 59.7638 71.5150 172.3597 75 E 4.6868 7.8891 119.1097 54.9157 34.4546 178.6493 76 G 3.7158 8.1768 109.8841 47.3861 0.0000 175.3770 77 E 4.2720 8.8632 123.3293 56.9140 29.6434 176.6247 78 Q 4.4524 7.7813 118.4793 56.3523 29.6122 175.7384 79 K 5.1831 9.4240 120.4920 54.9817 37.3794 175.4159 80 V 5.0332 8.5747 120.1630 60.0893 34.1674 175.1433 81 V 4.4943 8.6144 122.9129 60.9061 34.9626 174.5291 82 G 4.0740 8.8290 114.7185 46.5911 0.0000 172.6429 83 L 4.6845 9.1655 125.6209 56.0538 43.1468 176.6655 84 E 4.8199 7.9771 118.2403 54.4661 33.4923 173.5602 85 I 5.3086 8.3018 124.6642 59.4845 41.3997 173.6612 86 N 5.2618 9.1078 124.9939 51.5141 41.0006 173.0096 87 A 5.0630 8.4001 120.4031 50.9418 22.7677 175.1360 88 N 4.7622 9.0908 118.8686 51.7644 41.1846 173.8025 89 H 5.0392 8.7035 121.9533 55.3286 28.7066 175.3732 90 V 4.1676 8.5419 117.6921 62.2891 32.7346 176.7439 91 R 4.5778 7.7569 118.1191 54.8875 32.8613 173.9410 92 S 4.6892 8.3804 117.2170 56.8048 65.2823 173.0603 93 A 4.8551 8.1236 122.4537 50.5757 21.7421 176.9226 94 R 4.4883 8.4171 117.1268 56.1170 32.6333 174.9621 95 E 4.5870 8.1037 113.2841 56.0750 33.0701 176.5537 96 G 3.7845 8.5824 106.4086 46.7199 0.0000 173.1707 97 R 4.9721 8.3622 121.5117 54.5447 34.4898 174.9103 98 V 4.7664 8.3576 114.4182 59.7277 35.3581 174.7568 99 R 5.0263 9.0709 118.5471 54.5817 32.8043 174.2005 100 G 4.3419 9.3516 110.9217 44.8465 0.0000 172.4200 101 V 4.8679 9.1833 125.2596 61.1553 34.0973 173.6665 102 C 5.6674 9.2936 129.0293 57.5422 33.8641 172.6461 103 K 5.5391 9.1931 125.0062 54.4516 35.9937 173.6266 104 P 4.2182 0.0000 0.0000 62.5647 31.8285 175.5516 105 L 4.5336 8.1736 121.3237 56.0492 44.1911 176.7151 106 H 4.4142 7.4046 117.5475 55.1909 33.2094 172.6324 107 L 4.4633 8.2280 126.3163 52.8583 41.8020 176.4191 108 G 3.9283 8.6441 113.0036 44.0384 0.0000 171.2574 109 S 4.3367 8.5252 114.0487 60.3066 63.2410 175.5780 110 R 4.5197 7.9437 117.0696 56.2803 32.3841 174.8047 111 H 5.5441 7.8054 113.2420 54.2986 33.7398 172.3404 112 Q 4.9756 8.9438 118.0030 54.3309 33.6295 174.3679 113 V 4.8527 8.5314 121.6364 61.0595 34.7521 174.1343 114 W 5.0573 9.6511 127.9688 54.9081 32.4945 174.3445 115 Q 5.1245 9.2494 125.3701 54.5593 30.8256 174.0935 116 I 5.1909 8.9972 127.5317 59.6638 40.2589 174.1593 117 E 4.9833 9.1993 126.9223 54.5830 32.1308 174.9947 118 I 4.8738 8.4326 125.3880 59.5731 39.9127 174.7676 119 F 5.4338 9.2087 124.8601 55.5341 42.9726 174.9905 120 D 5.0302 8.9607 121.9486 52.1964 40.4381 177.0315 121 E 4.1103 8.6791 116.2920 58.0499 29.3410 177.4952 122 K 4.2615 8.3051 117.9315 56.3972 32.8006 177.0835 123 G 3.9839 8.5820 108.1929 45.0638 0.0000 173.8515 124 R 4.3413 8.6759 120.2603 54.9303 30.9109 175.8632 125 L 3.7447 8.6046 124.6698 55.4333 42.7893 175.8820 126 C 4.7705 9.0474 123.1953 60.7600 31.2402 173.5526 127 C 5.1218 7.5464 117.3369 57.8538 35.1218 172.6735 128 S 5.1525 9.2457 120.1631 55.5208 64.6657 172.8266 129 S 5.2368 9.1727 120.8708 56.8576 67.2287 172.9865 130 R 5.2169 8.9644 118.7195 54.4039 34.2236 174.0404 131 L 5.1961 9.3187 125.7746 53.6731 44.8916 174.8933 132 T 5.2268 9.2356 123.7954 62.3410 70.8179 173.9632 133 T 5.3065 9.4631 115.5047 59.8547 72.9121 172.4064 134 A 5.1783 8.8721 123.2564 50.2733 22.3531 175.1779 135 I 4.8071 8.4644 122.3401 59.9299 38.7200 175.2635 136 L 4.8693 8.9759 125.9541 53.1502 46.3307 175.4321 137 L 4.7157 8.2782 119.8089 53.5944 42.6964 176.6391 138 E 4.0929 8.9099 123.6139 57.8519 30.5563 174.7063 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 I 8.02 3.92 1.52 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 -0.36 0.63 0.00 0.00 3 W 7.22 4.63 0.00 3.43 3.13 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 4 K 10.27 4.58 0.00 1.88 1.82 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.61 7.81 5 R 7.87 4.72 0.00 1.70 1.75 0.00 2.81 0.00 0.00 3.07 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.64 0.00 6 K 8.15 4.48 0.00 1.83 1.79 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.38 7.81 7 I 7.54 4.08 1.77 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.48 0.65 0.00 0.00 8 T 7.72 4.54 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 1.23 0.00 0.00 9 L 8.15 3.95 0.00 1.66 1.72 0.92 0.91 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 10 E 8.12 3.91 0.00 1.97 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 2.38 2.36 0.00 11 A 7.78 3.92 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 12 L 7.51 3.85 0.00 1.63 1.21 0.28 0.50 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 13 N 8.41 4.59 0.00 2.67 2.91 0.00 0.00 7.12 7.08 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 14 A 8.06 4.25 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 *16 G 8.16 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 17 E 7.62 3.88 0.00 1.95 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 2.36 2.34 0.00 18 G 8.98 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 0.00 0.00 0.00 19 N 8.08 4.83 0.00 2.94 2.74 0.00 0.00 6.48 7.80 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 *21 V 8.82 4.01 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 0.98 0.00 0.00 0.96 0.00 0.00 22 G 8.00 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 23 F 7.92 4.63 0.00 3.10 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 24 L 7.73 4.49 0.00 1.75 1.70 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 25 D 7.76 4.31 0.00 2.78 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.56 4.30 1.78 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 1.16 0.62 0.69 0.00 0.00 27 R 8.58 4.83 0.00 1.68 1.77 0.00 3.34 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 28 F 9.76 4.63 0.00 2.85 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 29 E 9.06 4.74 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 2.23 2.39 0.00 30 H 7.92 4.76 0.00 3.20 3.12 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.11 4.74 1.67 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.80 0.78 0.00 0.00 32 G 9.18 4.44 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 0.00 33 D 8.93 4.70 0.00 2.73 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 34 D 7.96 4.49 0.00 2.51 2.47 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 0.00 0.00 0.00 0.00 35 T 8.46 5.32 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 1.41 0.00 0.00 36 L 9.11 5.36 0.00 1.92 1.61 0.87 0.89 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 37 E 9.81 5.87 0.00 1.97 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 2.28 2.16 0.00 38 A 8.36 4.97 0.56 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 39 T 8.65 5.39 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 *41 P 0.00 4.47 0.00 2.26 2.14 0.00 3.80 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 1.95 1.97 0.00 42 V 8.82 4.30 2.14 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 0.80 0.00 0.00 1.00 0.00 0.00 43 D 9.14 4.63 0.00 2.89 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 44 S 8.78 4.11 0.00 3.98 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 45 R 8.20 4.15 0.00 2.02 2.04 0.00 3.32 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 46 T 10.16 4.59 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 1.24 0.00 0.00 47 K 7.91 4.91 0.00 1.77 1.78 0.00 1.74 0.00 0.00 1.86 0.00 0.00 3.19 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.38 1.47 7.81 48 Q 8.75 4.60 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.66 0.00 0.00 0.00 0.00 0.00 2.26 2.51 0.00 49 P 0.00 4.10 0.00 2.07 2.03 0.00 3.76 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 2.09 2.15 0.00 50 F 8.94 4.47 0.00 3.17 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 51 G 8.25 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 0.00 0.00 0.00 52 L 7.40 4.75 0.00 1.63 1.60 0.92 0.56 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 53 L 8.35 4.39 0.00 1.84 1.58 0.92 0.96 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 54 H 9.69 4.22 0.00 3.29 3.12 0.00 5.65 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 55 G 8.98 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 56 G 8.47 3.67 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 0.00 0.00 0.00 57 A 7.96 4.01 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 58 S 8.03 4.08 0.00 4.10 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 59 V 7.65 3.66 2.25 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 1.10 0.00 0.00 1.02 0.00 0.00 60 V 8.04 3.57 2.30 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 0.94 0.00 0.00 1.01 0.00 0.00 61 L 7.95 3.88 0.00 1.78 1.81 0.79 1.05 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 62 A 8.05 3.98 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 63 E 8.56 4.01 0.00 2.14 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 0.00 2.33 2.38 0.00 64 S 8.17 4.15 0.00 4.05 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 65 I 8.01 4.08 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.74 1.06 0.00 0.00 66 G 8.50 3.40 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 0.00 67 S 8.18 4.12 0.00 4.07 4.20 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 68 V 7.67 3.55 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 0.77 0.00 0.00 0.88 0.00 0.00 69 A 7.69 3.98 0.54 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 0.00 0.00 0.00 0.00 0.00 70 G 7.40 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 71 Y 8.16 4.16 0.00 3.15 3.15 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 0.00 72 L 8.42 4.30 0.00 2.03 1.77 0.40 0.93 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 73 C 7.91 4.98 0.00 3.58 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 74 T 7.73 4.72 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 75 E 7.89 4.69 0.00 1.96 1.79 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 2.26 2.25 0.00 76 G 8.18 3.72 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 0.00 0.00 0.00 77 E 8.86 4.27 0.00 1.99 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 2.32 2.28 0.00 78 Q 7.78 4.45 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 79 K 9.42 5.18 0.00 1.68 1.74 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.69 7.81 80 V 8.57 5.03 2.25 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 0.93 0.00 0.00 1.07 0.00 0.00 81 V 8.61 4.49 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 0.98 0.00 0.00 0.97 0.00 0.00 82 G 8.83 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 83 L 9.17 4.68 0.00 1.67 1.76 1.04 0.85 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 84 E 7.98 4.82 0.00 2.05 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 2.28 2.37 0.00 85 I 8.30 5.31 1.91 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 1.43 0.92 0.94 0.00 0.00 86 N 9.11 5.26 0.00 2.83 2.98 0.00 0.00 6.41 7.14 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 87 A 8.40 5.06 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 88 N 9.09 4.76 0.00 2.65 2.68 0.00 0.00 6.98 8.21 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 89 H 8.70 5.04 0.00 3.02 3.23 0.00 5.70 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.54 4.17 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 0.59 0.00 0.00 0.95 0.00 0.00 91 R 7.76 4.58 0.00 1.70 1.86 0.00 3.23 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 92 S 8.38 4.69 0.00 4.00 3.82 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 93 A 8.12 4.86 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 94 R 8.42 4.49 0.00 1.75 1.95 0.00 3.30 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 95 E 8.10 4.59 0.00 2.03 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 0.00 2.19 2.30 0.00 96 G 8.58 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 0.00 0.00 0.00 97 R 8.36 4.97 0.00 1.65 1.78 0.00 3.17 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 98 V 8.36 4.77 2.19 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 0.95 0.00 0.00 0.93 0.00 0.00 99 R 9.07 5.03 0.00 1.84 2.00 0.00 2.76 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 100 G 9.35 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 0.00 101 V 9.18 4.87 2.31 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 1.02 0.00 0.00 1.00 0.00 0.00 102 C 9.29 5.67 0.00 3.11 3.04 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 0.00 103 K 9.19 5.54 0.00 1.92 1.97 0.00 1.54 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.43 7.81 104 P 0.00 4.22 0.00 1.56 1.09 0.00 3.80 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.77 0.00 105 L 8.17 4.53 0.00 1.56 1.67 0.93 1.27 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 0.00 106 H 7.40 4.41 0.00 3.12 3.00 0.00 5.80 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.23 4.46 0.00 1.30 1.39 0.66 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.64 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 0.00 0.00 0.00 109 S 8.53 4.34 0.00 3.87 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 0.00 110 R 7.94 4.52 0.00 1.78 1.78 0.00 3.07 0.00 0.00 3.34 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 111 H 7.81 5.54 0.00 3.07 3.16 0.00 5.56 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 8.94 4.98 0.00 2.19 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 113 V 8.53 4.85 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 1.07 0.00 0.00 0.93 0.00 0.00 114 W 9.65 5.06 0.00 3.32 3.13 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 0.00 115 Q 9.25 5.12 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 116 I 9.00 5.19 1.93 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.56 0.97 0.00 0.00 117 E 9.20 4.98 0.00 2.17 1.60 0.00 0.00 0.00 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 2.57 0.00 118 I 8.43 4.87 1.80 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 1.24 0.83 0.92 0.00 0.00 119 F 9.21 5.43 0.00 2.97 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 0.00 120 D 8.96 5.03 0.00 2.89 2.85 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 0.00 0.00 0.00 121 E 8.68 4.11 0.00 2.11 2.28 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 2.30 2.35 0.00 122 K 8.31 4.26 0.00 1.91 1.90 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.38 1.43 7.81 123 G 8.58 3.98 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 0.00 0.00 0.00 124 R 8.68 4.34 0.00 2.24 1.90 0.00 3.16 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 125 L 8.60 3.74 0.00 1.47 1.50 0.22 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 126 C 9.05 4.77 0.00 2.89 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 0.00 127 C 7.55 5.12 0.00 2.95 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 0.00 128 S 9.25 5.15 0.00 3.86 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 0.00 129 S 9.17 5.24 0.00 4.05 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 0.00 130 R 8.96 5.22 0.00 1.95 1.86 0.00 3.08 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 131 L 9.32 5.20 0.00 1.80 1.67 1.02 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 132 T 9.24 5.23 4.30 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 1.31 0.00 0.00 133 T 9.46 5.31 4.47 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 0.00 0.00 0.00 1.45 0.00 0.00 134 A 8.87 5.18 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 0.00 135 I 8.46 4.81 1.99 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 1.30 0.71 0.93 0.00 0.00 136 L 8.98 4.87 0.00 1.57 1.53 0.95 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.28 4.72 0.00 1.62 1.50 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.91 4.09 0.00 2.08 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 2.21 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.