NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2568 8.3027 121.4689 56.3755 31.6550 177.2046 3 N 4.1397 8.4718 115.6857 55.9811 38.9245 174.0289 4 Q 4.0753 8.3557 117.5541 59.1275 30.2773 178.0332 5 K 3.9340 7.5804 115.4395 57.0462 31.4644 177.9705 *7 Q 4.2861 8.0325 116.2256 54.7029 30.5625 175.3769 8 E 4.0007 7.7839 119.4139 55.1287 30.0392 174.8171 9 P 4.3180 0.0000 0.0000 62.6694 32.0267 175.2973 10 L 4.4856 8.1696 121.9197 53.0671 44.1266 175.8504 11 V 3.9248 7.8315 124.9415 60.6597 33.9951 174.4514 12 Y 4.3290 8.1784 125.0200 58.2429 38.3185 175.8901 13 R 4.3452 9.4065 123.3346 57.2040 31.3721 177.0007 14 R 4.6838 8.8181 117.7704 55.0684 34.5044 174.0634 15 I 4.8047 9.0427 126.0302 59.4177 39.9050 174.5569 16 L 4.9579 8.9908 129.5786 53.2912 44.2753 174.5922 17 L 4.9393 8.8374 130.1853 54.2205 43.5848 175.0903 18 T 5.0343 8.5926 123.7304 62.2385 69.8518 174.6800 19 V 4.5699 8.8302 119.4364 59.7462 35.4297 175.2361 20 D 5.1043 8.3375 122.4584 52.1474 41.6504 175.5679 21 E 4.4367 8.5682 117.6699 57.0344 30.0614 175.8924 22 D 4.7452 8.1977 119.3579 53.3649 42.1276 175.3236 23 D 4.9414 8.0798 121.1232 52.7613 43.0600 176.0522 24 N 4.6366 8.0802 119.7432 51.4290 40.9742 175.6208 25 T 3.9113 8.2840 117.0489 66.7745 68.3533 177.0335 26 S 4.1729 8.0360 116.0556 61.3655 63.1342 176.5816 27 S 4.1688 8.6806 118.1708 61.0942 62.7374 176.0970 28 E 4.0641 8.2678 122.9998 59.2901 29.3869 179.1295 29 R 4.0134 8.3714 117.9501 58.9635 30.0757 178.8596 30 A 4.0772 8.4859 121.2052 55.0860 18.3411 179.4122 31 F 4.0951 8.4358 119.1095 61.6639 39.4694 177.6221 32 R 3.8240 8.4997 117.9114 59.1946 29.7396 178.4831 33 Y 3.9891 8.5151 119.5628 60.6547 38.8226 177.8836 34 A 3.7534 8.1334 121.9696 55.3349 18.4122 179.6909 35 T 3.7217 7.7299 108.2940 64.7885 68.8950 177.2674 36 T 3.7454 7.9870 118.9967 66.1928 68.4693 176.2627 37 L 3.9461 7.8334 122.1734 58.2083 42.1295 178.9059 38 A 4.0320 8.0419 120.7834 55.2598 18.1472 179.0425 39 H 3.9755 8.5211 117.0661 59.7498 29.8170 177.4087 40 D 4.2247 8.3592 119.4908 56.5445 40.6773 177.3297 41 Y 4.4372 7.8368 114.2715 56.2695 39.8088 174.7592 42 D 4.3958 7.6386 118.9499 55.6675 39.8624 172.6687 43 V 4.6896 7.7154 111.3565 58.7217 36.0926 175.9555 44 P 4.7453 0.0000 0.0000 62.7085 32.8429 175.0268 45 L 5.2301 9.2110 125.0608 53.2699 45.2072 175.1936 46 G 3.7908 9.3525 113.2209 44.1553 0.0000 171.9227 47 I 4.9206 8.6757 125.0362 59.4715 39.7880 174.1273 48 C 5.8132 9.0776 127.8512 56.9953 34.6607 172.4972 49 S 5.1114 8.4493 117.8741 57.0224 66.2880 172.2152 50 V 4.9405 8.2852 121.3967 61.0448 34.4522 174.3576 51 L 4.8977 8.7297 126.0200 52.6204 45.1309 175.2438 52 E 4.5993 8.4966 122.8162 56.1810 30.0818 176.5439 53 S 4.5910 8.6686 122.0653 57.5904 64.8154 173.5383 54 E 4.3019 8.5109 120.9072 55.9874 30.0601 176.6920 55 D 4.5771 8.6485 123.3676 55.5231 41.6762 176.7806 56 I 4.5693 7.3575 118.7513 58.8710 40.1532 174.9212 57 N 4.2593 8.8292 122.9247 53.3660 38.9855 174.3551 58 I 4.3830 7.6314 122.5122 59.6214 40.3033 175.7321 59 F 4.8243 8.2053 120.1326 56.5720 39.5354 175.1418 *62 L 4.3954 7.6454 122.3887 55.2036 44.3659 180.0094 63 T 3.8797 8.0142 114.7339 66.3802 68.3422 174.3457 64 P 4.2321 0.0000 0.0000 65.8889 31.3414 178.7723 65 S 4.1326 8.0154 113.3057 61.4581 62.8744 176.5574 66 K 4.0014 7.7926 122.8301 59.2547 31.8771 179.0253 67 I 3.7702 7.9001 113.6499 63.9617 37.5434 177.9859 68 Q 3.9107 8.2938 121.1361 58.7672 28.8612 178.1996 69 A 3.9709 7.9296 122.0086 54.9549 18.4061 179.5761 70 K 3.9328 7.9177 117.9273 59.4858 32.2133 179.1130 71 R 3.8527 8.1987 119.1754 59.2942 30.0443 178.2441 72 K 3.8580 8.2883 119.7159 59.8048 32.0521 178.1266 73 H 4.1454 8.1603 118.1697 59.3793 29.8126 177.4677 74 V 3.5534 7.8149 120.0333 65.9699 31.3088 177.6856 75 E 3.9772 8.4532 118.5908 59.6453 29.2123 179.1956 76 D 4.3182 8.2825 118.8554 57.1280 40.8638 178.8171 77 V 3.5051 7.9258 119.0047 66.1477 31.5020 178.2814 78 V 3.7308 8.0538 117.6607 66.0006 31.3170 177.7493 79 A 4.0080 8.2605 120.6725 55.0402 18.2073 179.1686 80 E 3.8014 8.4706 118.0489 59.7532 29.7177 178.6729 81 Y 3.9879 7.9100 116.6960 61.0731 37.9144 178.8988 82 V 3.7197 8.2337 119.3282 65.9276 31.6135 177.7315 83 Q 4.1596 8.3595 119.5016 59.4664 28.8909 178.5366 84 L 4.0681 8.1617 119.6134 57.7015 41.5873 179.3903 85 A 4.1740 8.6573 121.0017 55.2065 18.4490 179.5632 86 E 3.9896 8.4863 117.2013 59.6923 29.3128 179.5349 87 Q 4.0680 8.1577 117.2822 58.9945 28.8316 178.6705 88 R 4.1143 7.8509 118.9815 57.7327 30.0809 177.2166 89 G 4.1617 7.5712 106.0957 45.1662 0.0000 173.5022 90 V 3.7595 7.6384 120.1568 62.4483 31.7875 176.0461 91 N 4.4077 8.9004 125.3780 55.5447 38.8238 174.5246 92 Q 4.6447 7.9997 119.6389 54.1270 31.6217 174.4464 93 V 5.2281 8.3924 125.4923 59.8608 34.7220 174.6843 94 E 4.9167 9.0915 120.9489 53.7634 33.0904 173.0065 95 P 4.7703 0.0000 0.0000 63.1046 32.6695 176.4760 96 L 4.7617 8.9687 122.1024 52.9245 43.0388 173.3171 97 V 4.7060 8.0072 120.2068 61.6823 32.7316 174.0067 98 Y 4.9303 8.8219 125.0321 56.1216 42.0658 174.3333 99 E 5.0820 8.4333 117.2498 55.4138 33.1043 175.3997 100 G 3.6569 8.2330 105.9290 48.3948 0.0000 172.7955 101 G 3.6069 9.3252 112.5232 47.4571 0.0000 175.2665 102 D 4.3905 8.9671 119.0853 53.6953 43.0503 174.8739 103 V 3.3963 8.3733 126.6664 66.0967 31.4285 177.3983 104 D 4.3220 8.1539 118.0029 57.7819 40.7309 178.6165 105 D 4.3080 8.0346 119.1328 57.0546 40.7224 178.9785 106 V 3.5165 7.8170 118.8822 66.0976 31.4549 178.2469 107 I 3.5219 7.8334 119.6660 64.3809 36.7257 178.5352 108 L 3.9767 7.9117 118.7440 57.1831 41.5575 178.5066 109 E 4.3947 8.4705 117.1703 56.9897 30.5443 176.7692 110 Q 4.4820 7.5732 115.0911 57.3788 30.7944 177.8476 111 V 3.0284 7.3916 118.6713 65.8845 31.5218 178.1483 112 I 3.7074 7.8737 119.7521 64.1325 36.7970 176.7922 113 P 4.2417 0.0000 0.0000 65.3003 31.1706 178.3764 114 E 4.1881 7.9094 116.5577 59.3754 29.7699 178.5298 115 F 4.4207 8.6264 118.9841 58.0918 40.5250 175.1377 116 K 3.8339 8.2616 117.2887 56.7254 29.6548 173.3767 117 P 4.5427 0.0000 0.0000 62.8711 32.5227 176.1022 118 D 4.9376 8.6275 118.0742 53.2981 40.5400 175.9236 119 L 4.6064 7.6155 121.7958 53.4786 45.7520 174.0055 120 L 5.0228 8.7986 128.5668 53.4543 44.2063 174.8972 121 V 4.8757 8.8600 126.4091 61.5606 34.1189 174.1431 122 T 4.8103 8.5375 120.6409 60.5789 71.4296 173.0949 123 G 4.1137 8.7101 113.5109 45.9570 0.0000 174.5835 124 A 4.1976 8.8492 124.8862 54.2708 18.5064 178.4991 125 D 4.6655 7.5354 113.8745 54.5317 41.8656 177.1767 126 T 4.0414 7.5783 118.1444 63.7486 68.5658 173.0727 127 E 4.8753 8.6643 122.5735 55.3035 32.8819 174.0363 128 F 4.8931 8.3634 118.1084 54.9780 41.9735 174.5691 129 P 4.4530 0.0000 0.0000 64.8141 31.4567 176.4800 130 H 4.7916 8.0279 113.2751 55.0652 29.2673 175.3362 131 S 4.1924 7.6376 115.6839 58.2943 63.3925 174.3293 132 K 3.9915 9.0081 124.8425 59.2237 32.0764 177.0470 133 I 4.3228 7.4706 117.8676 59.2941 38.5258 175.4733 134 A 4.1347 8.3437 128.2611 52.9516 19.2374 176.9553 135 G 3.7487 8.5635 105.1145 43.1743 0.0000 172.5354 136 A 4.2412 8.2804 122.2644 52.2753 18.8479 178.5839 137 I 4.0207 8.7572 123.9197 63.5634 37.9534 178.2191 138 G 3.7364 8.1567 106.5166 47.6844 0.0000 173.7610 139 P 4.2715 0.0000 0.0000 64.7233 31.2988 179.0394 140 R 3.9155 7.9193 116.6643 59.3743 30.0566 178.8801 141 L 3.9892 8.1496 118.5673 57.6976 41.3454 179.3671 142 A 3.9992 8.1270 120.3337 55.1398 18.3066 179.4061 143 R 3.9813 7.6819 116.0425 59.0405 30.3211 178.0565 144 K 4.3000 7.7537 115.8882 56.3722 33.2277 177.1459 145 A 4.2072 7.6397 122.1750 51.4322 18.8026 175.4740 146 P 4.5904 0.0000 0.0000 62.8856 31.9547 175.0591 147 I 4.6937 7.1244 111.6324 58.7253 40.9673 175.1858 148 S 4.3700 8.5477 117.7114 58.8978 63.9425 173.9358 149 V 4.7176 8.1175 121.9884 61.2663 34.5014 173.9303 150 I 4.3324 8.7766 128.4876 59.1478 40.3850 174.1105 151 V 4.3538 8.3206 129.5005 61.5219 32.4491 174.7402 152 V 4.1861 8.6540 129.3218 61.4906 33.3893 176.2915 153 R 4.2209 8.3147 124.9760 56.4391 30.7343 175.3192 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 E 8.30 4.26 0.00 2.01 2.00 0.00 0.00 0.00 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 2.30 0.00 3 N 8.47 4.14 0.00 2.79 2.85 0.00 0.00 6.90 6.19 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 4 Q 8.36 4.08 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.45 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 5 K 7.58 3.93 0.00 1.87 1.93 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.41 7.81 *7 Q 8.03 4.29 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.52 2.29 0.00 8 E 7.78 4.00 0.00 1.89 1.83 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 2.28 2.25 0.00 9 P 0.00 4.32 0.00 2.04 1.96 0.00 3.64 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 2.02 2.07 0.00 10 L 8.17 4.49 0.00 1.40 1.32 0.73 0.04 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 11 V 7.83 3.92 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 0.43 0.00 0.00 0.57 0.00 0.00 12 Y 8.18 4.33 0.00 3.01 2.95 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 13 R 9.41 4.35 0.00 1.75 1.96 0.00 3.28 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 1.69 1.70 0.00 14 R 8.82 4.68 0.00 1.59 1.51 0.00 2.93 0.00 0.00 3.12 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.53 0.00 15 I 9.04 4.80 1.92 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 1.30 1.00 0.90 0.00 0.00 16 L 8.99 4.96 0.00 1.90 1.70 0.72 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.84 4.94 0.00 1.74 1.45 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.59 5.03 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 1.34 0.00 0.00 19 V 8.83 4.57 1.90 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 0.04 0.00 0.00 0.89 0.00 0.00 20 D 8.34 5.10 0.00 2.28 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 0.00 0.00 0.00 21 E 8.57 4.44 0.00 2.02 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 2.32 2.38 0.00 22 D 8.20 4.75 0.00 2.75 2.56 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 23 D 8.08 4.94 0.00 2.61 2.54 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 24 N 8.08 4.64 0.00 2.93 2.88 0.00 0.00 6.28 7.22 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 25 T 8.28 3.91 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 26 S 8.04 4.17 0.00 4.34 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 27 S 8.68 4.17 0.00 4.18 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 0.00 28 E 8.27 4.06 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 29 R 8.37 4.01 0.00 1.94 2.01 0.00 3.21 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 30 A 8.49 4.08 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 31 F 8.44 4.10 0.00 3.36 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.50 3.82 0.00 1.98 2.02 0.00 3.29 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.01 0.00 33 Y 8.52 3.99 0.00 3.07 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 34 A 8.13 3.75 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 35 T 7.73 3.72 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 0.48 0.00 0.00 36 T 7.99 3.75 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 1.22 0.00 0.00 37 L 7.83 3.95 0.00 1.28 1.55 0.82 1.32 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 38 A 8.04 4.03 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 39 H 8.52 3.98 0.00 3.17 3.46 0.00 5.59 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 40 D 8.36 4.22 0.00 2.44 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 7.84 4.44 0.00 3.08 2.96 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 0.00 0.00 0.00 42 D 7.64 4.40 0.00 2.69 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 43 V 7.72 4.69 2.35 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 0.91 0.00 0.00 1.05 0.00 0.00 44 P 0.00 4.75 0.00 2.14 2.06 0.00 3.81 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 2.25 0.00 45 L 9.21 5.23 0.00 1.74 1.50 0.92 1.20 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 46 G 9.35 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 0.00 0.00 0.00 47 I 8.68 4.92 1.87 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 1.09 0.79 0.79 0.00 0.00 48 C 9.08 5.81 0.00 2.81 2.65 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 49 S 8.45 5.11 0.00 4.02 3.73 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 0.00 0.00 0.00 0.00 50 V 8.29 4.94 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.72 0.00 0.00 51 L 8.73 4.90 0.00 1.60 1.51 0.93 0.87 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 52 E 8.50 4.60 0.00 1.70 1.75 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 2.22 2.19 0.00 53 S 8.67 4.59 0.00 3.90 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 54 E 8.51 4.30 0.00 1.94 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 2.26 2.29 0.00 55 D 8.65 4.58 0.00 2.66 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 56 I 7.36 4.57 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.61 0.94 0.00 0.00 57 N 8.83 4.26 0.00 2.64 2.29 0.00 0.00 6.94 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.63 4.38 1.73 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 1.47 0.80 0.87 0.00 0.00 59 F 8.21 4.82 0.00 3.00 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 *62 L 7.65 4.40 0.00 1.70 1.75 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.01 3.88 4.21 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 1.19 0.00 0.00 64 P 0.00 4.23 0.00 2.13 2.07 0.00 3.51 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 2.08 2.13 0.00 65 S 8.02 4.13 0.00 4.03 3.91 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 0.00 0.00 0.00 66 K 7.79 4.00 0.00 1.77 1.93 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.43 7.81 67 I 7.90 3.77 1.85 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 1.39 0.67 0.95 0.00 0.00 68 Q 8.29 3.91 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 69 A 7.93 3.97 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.92 3.93 0.00 1.93 1.97 0.00 1.58 0.00 0.00 1.60 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.52 7.81 71 R 8.20 3.85 0.00 1.91 2.12 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 72 K 8.29 3.86 0.00 1.95 2.02 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.52 7.81 73 H 8.16 4.15 0.00 3.33 3.49 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.81 3.55 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 1.05 0.00 0.00 1.07 0.00 0.00 75 E 8.45 3.98 0.00 2.28 1.99 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 2.33 2.41 0.00 76 D 8.28 4.32 0.00 2.92 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 77 V 7.93 3.51 2.20 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 1.17 0.00 0.00 0.83 0.00 0.00 78 V 8.05 3.73 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 1.13 0.00 0.00 0.99 0.00 0.00 79 A 8.26 4.01 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 80 E 8.47 3.80 0.00 2.04 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 2.03 2.22 0.00 81 Y 7.91 3.99 0.00 3.24 2.96 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 0.00 0.00 0.00 82 V 8.23 3.72 2.29 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 1.05 0.00 0.00 1.03 0.00 0.00 83 Q 8.36 4.16 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 84 L 8.16 4.07 0.00 1.89 1.83 0.48 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.66 4.17 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 0.00 0.00 0.00 0.00 0.00 86 E 8.49 3.99 0.00 2.25 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 2.37 2.56 0.00 87 Q 8.16 4.07 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.01 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 88 R 7.85 4.11 0.00 1.96 2.20 0.00 3.23 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 89 G 7.57 4.16 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 0.00 90 V 7.64 3.76 2.20 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 0.85 0.00 0.00 0.96 0.00 0.00 91 N 8.90 4.41 0.00 2.76 2.87 0.00 0.00 6.84 7.69 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 92 Q 8.00 4.64 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 93 V 8.39 5.23 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 0.87 0.00 0.00 0.98 0.00 0.00 94 E 9.09 4.92 0.00 2.04 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 0.00 2.40 2.15 0.00 95 P 0.00 4.77 0.00 2.11 2.11 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 96 L 8.97 4.76 0.00 1.54 1.81 0.27 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.01 4.71 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 0.80 0.00 0.00 0.95 0.00 0.00 98 Y 8.82 4.93 0.00 2.82 2.79 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 99 E 8.43 5.08 0.00 1.98 1.86 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 2.15 2.30 0.00 100 G 8.23 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 0.00 101 G 9.33 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.97 4.39 0.00 2.75 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 0.00 103 V 8.37 3.40 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 0.34 0.00 0.00 0.40 0.00 0.00 104 D 8.15 4.32 0.00 3.02 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 0.00 105 D 8.03 4.31 0.00 2.77 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 0.00 106 V 7.82 3.52 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 0.96 0.00 0.00 0.96 0.00 0.00 107 I 7.83 3.52 1.91 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 1.37 0.50 0.84 0.00 0.00 108 L 7.91 3.98 0.00 1.58 1.70 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.47 4.39 0.00 2.00 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 2.26 2.37 0.00 110 Q 7.57 4.48 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 111 V 7.39 3.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.03 0.00 0.00 112 I 7.87 3.71 1.84 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 1.53 0.61 0.91 0.00 0.00 113 P 0.00 4.24 0.00 2.03 2.12 0.00 3.68 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 2.14 2.17 0.00 114 E 7.91 4.19 0.00 2.21 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 0.00 2.44 2.51 0.00 115 F 8.63 4.42 0.00 2.96 3.21 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 0.00 116 K 8.26 3.83 0.00 1.75 1.75 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.42 7.81 117 P 0.00 4.54 0.00 2.42 2.38 0.00 3.91 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 118 D 8.63 4.94 0.00 2.82 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 0.00 119 L 7.62 4.61 0.00 0.79 1.24 0.43 0.30 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 0.00 120 L 8.80 5.02 0.00 1.72 1.46 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.86 4.88 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 1.13 0.00 0.00 1.05 0.00 0.00 122 T 8.54 4.81 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 1.21 0.00 0.00 123 G 8.71 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 0.00 124 A 8.85 4.20 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 0.00 125 D 7.54 4.67 0.00 2.60 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 0.00 126 T 7.58 4.04 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 1.11 0.00 0.00 127 E 8.66 4.88 0.00 2.14 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.14 0.00 128 F 8.36 4.89 0.00 2.97 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.45 0.00 2.23 2.20 0.00 3.94 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 2.10 2.00 0.00 130 H 8.03 4.79 0.00 3.28 3.55 0.00 5.73 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 0.00 131 S 7.64 4.19 0.00 4.04 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 0.00 132 K 9.01 3.99 0.00 1.82 1.89 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.43 7.81 133 I 7.47 4.32 1.88 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 1.35 0.73 0.92 0.00 0.00 134 A 8.34 4.13 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 0.00 135 G 8.56 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.28 4.24 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 0.00 137 I 8.76 4.02 2.02 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 1.50 1.60 1.09 0.00 0.00 138 G 8.16 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 P 0.00 4.27 0.00 2.16 2.10 0.00 3.81 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 140 R 7.92 3.92 0.00 2.04 1.98 0.00 3.13 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 141 L 8.15 3.99 0.00 1.81 1.70 0.92 0.85 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 0.00 142 A 8.13 4.00 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 0.00 143 R 7.68 3.98 0.00 1.85 2.12 0.00 3.25 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 144 K 7.75 4.30 0.00 1.77 1.83 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.58 7.81 145 A 7.64 4.21 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 0.00 146 P 0.00 4.59 0.00 2.19 2.16 0.00 3.70 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 1.94 0.00 147 I 7.12 4.69 2.06 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 1.34 0.73 0.99 0.00 0.00 148 S 8.55 4.37 0.00 3.77 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 0.00 149 V 8.12 4.72 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 0.74 0.00 0.00 1.03 0.00 0.00 150 I 8.78 4.33 1.71 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.11 0.86 0.00 0.00 151 V 8.32 4.35 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 0.80 0.00 0.00 0.89 0.00 0.00 152 V 8.65 4.19 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 0.98 0.00 0.00 0.77 0.00 0.00 153 R 8.31 4.22 0.00 1.77 1.74 0.00 3.27 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.