NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.2474 8.0433 122.7083 54.9974 44.2607 175.0794 3 Y 4.7418 8.3764 123.2104 55.7398 41.1737 173.1375 4 L 4.8004 8.9636 126.7392 54.1914 42.7744 176.9193 5 T 5.1856 8.9209 114.4316 61.0309 69.9286 174.3824 6 Q 4.6619 7.7909 119.2394 55.3535 32.0172 172.7665 7 R 4.9583 8.4284 120.8578 54.7361 31.8116 175.4195 8 L 4.3559 8.6308 126.8378 54.2829 42.4271 176.4814 9 E 4.4216 8.8253 122.7916 56.2175 29.7301 176.5582 10 I 4.5100 7.1001 117.8043 58.2576 38.2246 172.2973 11 P 4.1496 0.0000 0.0000 62.5110 32.3144 175.8923 12 A 4.3911 7.8448 122.5343 50.8156 21.3937 176.0563 13 A 4.2503 7.7182 116.9704 50.2564 17.6573 176.3526 14 A 4.1735 8.1296 123.2224 53.5213 19.2454 177.7233 15 T 4.3095 8.4191 120.1220 65.8503 69.2868 174.5081 16 A 5.0860 7.6946 121.2812 50.4513 23.1749 173.7222 17 S 5.2506 8.3378 109.6971 57.5169 67.3516 173.3876 18 V 4.6881 8.7389 118.9100 60.5263 34.5262 174.2150 19 T 5.0667 8.6300 121.9172 62.1989 69.5513 174.0782 20 L 5.0249 9.0740 126.7512 52.1395 46.2820 174.7673 21 P 4.8000 0.0000 0.0000 61.8506 32.6247 176.7422 22 I 3.6412 8.6921 119.9803 64.5041 37.3707 177.3262 23 D 4.4831 8.2781 117.6734 57.8788 41.2508 178.4896 24 V 3.8615 8.0251 117.8549 65.3121 31.5665 177.4396 25 R 4.2626 7.7053 115.8249 57.3546 29.5620 177.9703 26 V 4.0681 7.5117 111.5894 61.7476 33.0400 176.5575 27 K 4.2521 7.7048 119.3383 56.2722 32.5771 176.9086 28 S 4.5416 8.5962 116.3196 59.1046 65.1406 173.2469 29 R 5.6773 8.2640 118.1763 53.0424 31.4708 174.6597 30 V 4.5612 7.9721 121.8681 59.7966 35.4606 173.5564 31 K 4.8050 8.6292 123.7416 55.2595 33.6564 175.5340 32 V 4.6212 8.3712 119.3202 59.7806 36.2661 174.3002 33 T 4.8446 8.1612 117.0124 61.6404 70.9855 174.8604 34 L 4.2433 8.6755 126.8728 54.7297 42.2495 178.2014 35 N 4.5299 8.8892 118.3727 55.3980 38.4511 175.9617 36 D 4.5716 7.8031 116.3885 52.8896 40.2349 176.3059 37 G 4.1310 7.9037 108.4552 45.9459 0.0000 174.9404 38 R 4.1536 8.9079 119.0492 56.2029 31.1347 176.5090 39 D 5.1495 8.5496 121.8919 54.1881 42.5952 175.2999 40 A 4.5936 8.5665 120.6234 50.6988 23.4690 175.4239 41 G 4.3093 8.3807 106.4786 44.2946 0.0000 172.1470 42 L 4.8109 8.8772 126.6832 53.7874 43.1035 177.1711 43 L 5.1340 9.1496 124.2884 53.2795 41.6017 175.6541 44 L 4.9619 8.4525 119.9109 52.7267 43.7586 176.7950 45 P 4.3577 0.0000 0.0000 62.5542 31.8806 176.9780 46 R 4.0630 8.3052 120.1724 57.3483 30.5793 176.1023 47 G 3.8670 8.6037 105.1550 47.0529 0.0000 173.5471 48 L 4.6814 7.9371 117.8044 52.2349 44.2747 175.8528 49 L 4.7564 8.2620 123.8508 53.2325 43.8697 175.5640 50 L 4.4575 8.6857 127.8613 54.5026 42.3553 177.0326 51 R 4.4411 9.7919 124.1299 54.3532 32.4317 176.4679 52 G 3.8279 8.9314 112.3316 47.4221 0.0000 172.9276 53 G 3.7984 8.9416 115.1375 45.6657 0.0000 173.5102 54 D 4.7079 8.3013 120.5565 54.2380 42.6822 175.4092 55 V 4.9015 8.1593 118.4772 61.4426 35.0121 174.6073 56 L 5.2040 8.7054 127.2509 53.9122 44.7976 174.8467 57 S 5.2263 9.1170 114.4034 57.7362 66.5395 172.5395 58 N 5.5353 8.1392 119.7268 50.5479 38.5013 174.8784 59 E 4.0207 8.8833 119.9775 59.4860 29.8248 177.7262 60 E 3.9522 8.2246 117.1587 60.1755 29.4974 178.4453 61 G 4.1555 9.9161 105.7821 45.8752 0.0000 174.6007 62 T 4.1477 8.0380 109.7417 63.3457 69.7011 174.5237 63 D 4.7092 7.1633 121.7378 51.8359 43.7898 174.9747 64 F 5.5862 8.1968 116.9746 55.0163 44.1473 174.0581 65 V 4.7157 8.1944 119.9752 61.4840 34.9724 173.6867 66 Q 4.7791 9.2035 130.1171 55.7046 30.5984 174.4478 67 V 4.5867 8.6027 126.5230 61.9279 33.4299 174.4735 68 I 4.8200 8.8028 128.4394 59.2040 40.3312 174.5776 69 A 4.6999 8.6702 128.8654 51.6183 19.0349 177.2138 70 A 4.3202 8.7963 125.1938 51.5942 20.2769 176.0404 71 D 4.8625 8.4831 119.1254 54.3305 41.8976 176.1136 72 E 4.7910 9.1123 121.6101 54.2168 34.7188 174.7996 73 E 4.2611 8.5459 120.7005 56.3676 30.5057 176.4884 74 V 4.6824 8.1130 117.8621 59.4577 36.0249 175.2701 75 S 4.7985 7.9062 118.7780 57.6524 64.8738 173.4391 76 V 4.4528 8.7667 122.2319 61.1683 34.8987 174.5787 77 V 4.6584 8.4013 126.8715 60.2010 33.0997 173.4853 78 R 5.0783 8.3878 125.5470 53.7956 31.0461 175.2458 79 C 4.9457 8.3723 124.4501 57.4493 34.6197 174.3461 80 D 4.3918 9.1106 124.9125 54.7884 39.5090 175.7055 81 D 4.6844 7.8117 119.9711 52.2489 40.7826 173.6418 82 P 4.4121 0.0000 0.0000 65.6164 31.3084 179.1376 83 F 4.4081 8.5664 117.3503 59.0027 38.8739 176.5019 *85 L 4.2691 8.0611 120.7561 54.2974 43.6434 178.9394 86 A 4.0460 8.0017 120.1048 55.2929 18.2208 179.8942 87 K 4.0169 7.7462 116.0499 59.4253 31.9992 179.5331 88 A 3.6815 7.8996 120.6561 55.2859 18.4282 179.1665 89 C 4.0105 8.6675 115.6079 63.0580 28.0919 175.7750 90 Y 4.0228 8.1252 120.7242 60.6521 38.2471 177.8323 91 A 3.7684 7.6936 120.1434 55.2635 18.8258 179.2591 92 L 3.9639 8.0195 117.7088 57.7681 41.6306 179.9333 93 G 3.5635 8.2887 105.9820 47.9810 0.0000 175.4921 94 N 4.1868 7.7674 117.7187 55.2126 38.5072 176.6639 95 R 4.2050 7.3003 117.0819 55.0075 30.6889 175.6998 96 H 3.9690 7.5774 114.8979 56.6227 26.8716 175.2495 97 V 3.9506 7.6591 118.6736 60.8646 31.6962 173.5184 98 P 4.2833 0.0000 0.0000 63.4543 31.8162 175.4259 99 L 5.1718 8.2859 123.3118 53.4946 46.0234 174.1808 100 Q 4.7491 8.9026 126.6087 54.6955 30.7860 174.3543 101 I 4.6912 8.1590 125.7888 58.9133 41.1188 173.1763 *103 P 4.0490 0.0000 0.0000 63.6705 32.5950 178.2996 104 G 4.1642 9.7134 110.5349 44.9335 0.0000 172.2306 105 E 5.6510 7.4367 117.1285 54.5596 33.3004 174.1876 106 L 5.2157 8.4226 122.8365 53.4135 46.7256 175.4879 107 R 5.0556 8.7139 118.7153 54.7234 35.1501 173.6799 108 Y 4.8067 7.8324 116.4555 56.1226 40.9746 172.5214 109 H 3.9477 8.6963 117.4463 56.1981 29.1587 174.1855 110 H 4.2996 8.2232 122.8039 56.4172 30.6097 174.4517 111 D 4.3215 8.6483 123.6854 52.8001 42.4758 174.9207 112 H 3.9704 9.0299 125.3665 59.1248 28.4900 177.3465 113 V 3.5732 7.8524 117.6303 66.2358 31.4589 177.2593 114 L 4.0166 8.5715 119.2313 58.1430 42.0969 178.5937 115 D 4.6605 8.6100 119.2586 57.2689 40.8992 180.3080 116 D 4.3687 8.1411 119.8112 54.1927 41.0123 178.4289 *118 L 4.2430 8.0207 120.8775 54.8007 44.1285 179.7813 119 R 4.3065 7.8851 119.4689 58.7347 29.7730 178.5660 120 Q 4.3021 8.0475 115.8414 57.6398 28.7698 177.4179 121 F 4.4462 8.0079 120.4960 58.2369 39.7171 176.0279 122 G 3.9533 8.5229 106.3475 46.0265 0.0000 173.3240 123 L 4.5979 7.6800 119.0401 53.6535 43.2229 175.2130 124 T 4.4640 8.2426 117.5846 62.2166 70.4777 173.7800 125 V 4.6553 8.5093 126.4498 61.6370 33.8743 174.5414 126 T 4.7264 8.8095 120.1095 60.1053 71.9482 172.7840 127 F 5.1715 8.4228 122.2093 57.0318 42.7275 174.1497 128 G 3.7601 6.6886 108.2829 45.7382 0.0000 172.4705 129 Q 4.7931 8.4326 118.9892 53.7453 30.0753 174.8033 130 L 4.8519 8.4296 122.9443 51.8669 47.0936 173.8629 131 P 5.3498 0.0000 0.0000 62.4106 32.1312 176.6112 132 F 4.8885 8.7898 124.3693 56.8592 40.5212 174.3993 133 E 4.2881 8.3380 128.9343 53.4774 29.0680 174.4077 134 P 4.3019 0.0000 0.0000 61.3507 32.6542 176.9891 135 E 3.9052 9.0618 119.5393 56.7227 29.9663 178.5867 136 A 3.9445 8.7172 126.3086 55.1696 18.6717 179.0456 137 G 3.8471 8.1731 103.3430 47.7390 0.0000 173.0367 138 A 4.3101 7.5379 126.9080 52.1931 19.1529 175.8728 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 L 8.04 4.25 0.00 1.69 1.45 0.84 0.47 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 3 Y 8.38 4.74 0.00 3.08 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 4 L 8.96 4.80 0.00 1.59 1.62 0.91 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.92 5.19 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 6 Q 7.79 4.66 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.92 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 7 R 8.43 4.96 0.00 1.85 1.86 0.00 3.24 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.77 0.00 8 L 8.63 4.36 0.00 1.63 1.82 1.19 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.83 4.42 0.00 1.93 1.94 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 2.24 2.32 0.00 10 I 7.10 4.51 1.87 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 1.41 0.78 0.88 0.00 0.00 11 P 0.00 4.15 0.00 1.98 1.99 0.00 3.59 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 12 A 7.84 4.39 0.11 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 13 A 7.72 4.25 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 14 A 8.13 4.17 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 15 T 8.42 4.31 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 1.24 0.00 0.00 16 A 7.69 5.09 1.25 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 0.00 0.00 0.00 17 S 8.34 5.25 0.00 3.95 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 18 V 8.74 4.69 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 0.88 0.00 0.00 0.93 0.00 0.00 19 T 8.63 5.07 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 20 L 9.07 5.02 0.00 1.51 1.51 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.80 0.00 2.28 2.20 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.97 0.00 22 I 8.69 3.64 2.11 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.23 1.23 0.00 0.00 23 D 8.28 4.48 0.00 2.74 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 24 V 8.03 3.86 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 0.99 0.00 0.00 0.95 0.00 0.00 25 R 7.71 4.26 0.00 1.89 2.11 0.00 3.40 0.00 0.00 3.17 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 26 V 7.51 4.07 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 0.73 0.00 0.00 1.06 0.00 0.00 27 K 7.70 4.25 0.00 1.87 1.75 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.39 7.81 28 S 8.60 4.54 0.00 4.10 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 29 R 8.26 5.68 0.00 1.67 1.89 0.00 3.23 0.00 0.00 3.94 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.44 0.00 30 V 7.97 4.56 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 0.71 0.00 0.00 0.94 0.00 0.00 31 K 8.63 4.81 0.00 1.80 1.75 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.53 7.81 32 V 8.37 4.62 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 0.82 0.00 0.00 0.91 0.00 0.00 33 T 8.16 4.84 4.23 0.00 0.00 0.00 0.00 0.00 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 34 L 8.68 4.24 0.00 1.83 1.70 0.89 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.89 4.53 0.00 2.68 2.88 0.00 0.00 6.93 7.63 0.00 0.00 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 D 7.80 4.57 0.00 2.75 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 37 G 7.90 4.13 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 0.00 38 R 8.91 4.15 0.00 1.76 1.81 0.00 3.10 0.00 0.00 3.58 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 39 D 8.55 5.15 0.00 2.50 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 4.59 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.38 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.88 4.81 0.00 1.64 1.63 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 43 L 9.15 5.13 0.00 1.60 1.55 1.16 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.45 4.96 0.00 1.54 1.60 0.98 0.94 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 45 P 0.00 4.36 0.00 2.04 1.99 0.00 3.69 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 46 R 8.31 4.06 0.00 1.80 1.87 0.00 3.30 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 1.64 1.63 0.00 47 G 8.60 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.94 4.68 0.00 1.62 1.57 0.93 0.95 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 49 L 8.26 4.76 0.00 1.58 1.52 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.69 4.46 0.00 1.57 1.60 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 51 R 9.79 4.44 0.00 1.81 1.81 0.00 3.25 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 52 G 8.93 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 53 G 8.94 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.30 4.71 0.00 2.64 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.16 4.90 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 1.15 0.00 0.00 0.94 0.00 0.00 56 L 8.71 5.20 0.00 1.67 1.58 0.93 0.20 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 57 S 9.12 5.23 0.00 3.96 3.69 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 58 N 8.14 5.54 0.00 2.72 2.82 0.00 0.00 6.33 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 59 E 8.88 4.02 0.00 1.94 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 2.29 2.34 0.00 60 E 8.22 3.95 0.00 2.22 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 2.31 2.32 0.00 61 G 9.92 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 62 T 8.04 4.15 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 1.20 0.00 0.00 63 D 7.16 4.71 0.00 2.48 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 64 F 8.20 5.59 0.00 3.02 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 65 V 8.19 4.72 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 0.97 0.00 0.00 0.93 0.00 0.00 66 Q 9.20 4.78 0.00 2.19 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.65 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 67 V 8.60 4.59 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 0.90 0.00 0.00 0.95 0.00 0.00 68 I 8.80 4.82 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 1.17 0.83 0.92 0.00 0.00 69 A 8.67 4.70 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 70 A 8.80 4.32 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 71 D 8.48 4.86 0.00 2.57 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 72 E 9.11 4.79 0.00 1.74 1.73 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 2.24 2.46 0.00 73 E 8.55 4.26 0.00 1.99 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 2.50 2.46 0.00 74 V 8.11 4.68 1.67 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 0.26 0.00 0.00 0.65 0.00 0.00 75 S 7.91 4.80 0.00 2.72 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.77 4.45 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 0.97 0.00 0.00 0.78 0.00 0.00 77 V 8.40 4.66 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 1.11 0.00 0.00 1.01 0.00 0.00 78 R 8.39 5.08 0.00 1.73 1.87 0.00 3.25 0.00 0.00 3.90 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.43 0.00 79 C 8.37 4.95 0.00 2.98 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 80 D 9.11 4.39 0.00 2.85 2.80 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 0.00 0.00 0.00 81 D 7.81 4.68 0.00 2.71 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 82 P 0.00 4.41 0.00 2.29 2.15 0.00 3.72 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 83 F 8.57 4.41 0.00 3.00 3.28 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 *85 L 8.06 4.27 0.00 1.98 1.77 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.00 4.05 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 87 K 7.75 4.02 0.00 1.87 2.15 0.00 1.45 0.00 0.00 1.28 0.00 0.00 2.13 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.32 1.16 7.81 88 A 7.90 3.68 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 89 C 8.67 4.01 0.00 3.16 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 90 Y 8.13 4.02 0.00 3.07 3.18 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 0.00 91 A 7.69 3.77 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 92 L 8.02 3.96 0.00 1.76 1.57 0.86 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.29 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 94 N 7.77 4.19 0.00 2.54 2.66 0.00 0.00 7.03 8.10 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 95 R 7.30 4.21 0.00 1.74 1.84 0.00 3.21 0.00 0.00 3.10 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.63 0.00 96 H 7.58 3.97 0.00 3.28 3.32 0.00 5.64 0.00 0.00 0.00 0.00 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.66 3.95 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 0.60 0.00 0.00 0.83 0.00 0.00 98 P 0.00 4.28 0.00 2.31 2.10 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 99 L 8.29 5.17 0.00 1.96 1.46 1.21 0.69 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 0.00 100 Q 8.90 4.75 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.44 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 101 I 8.16 4.69 1.88 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 1.37 0.81 0.93 0.00 0.00 *103 P 0.00 4.05 0.00 2.21 2.03 0.00 3.65 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 2.02 2.10 0.00 104 G 9.71 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 0.00 105 E 7.44 5.65 0.00 1.99 1.77 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 2.22 2.12 0.00 106 L 8.42 5.22 0.00 1.66 1.58 0.97 0.87 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 0.00 107 R 8.71 5.06 0.00 1.85 1.74 0.00 3.46 0.00 0.00 3.30 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.43 0.00 108 Y 7.83 4.81 0.00 3.10 3.16 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 0.00 109 H 8.70 3.95 0.00 3.09 3.31 0.00 5.74 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 H 8.22 4.30 0.00 3.12 3.33 0.00 5.83 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.65 4.32 0.00 2.88 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 0.00 112 H 9.03 3.97 0.00 3.19 3.36 0.00 5.69 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 0.00 113 V 7.85 3.57 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 0.82 0.00 0.00 0.94 0.00 0.00 114 L 8.57 4.02 0.00 1.71 1.86 0.46 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 115 D 8.61 4.66 0.00 2.91 2.74 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 0.00 116 D 8.14 4.37 0.00 2.85 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *118 L 8.02 4.24 0.00 1.93 1.76 0.99 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.89 4.31 0.00 2.11 2.02 0.00 3.17 0.00 0.00 3.30 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 120 Q 8.05 4.30 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.59 0.00 121 F 8.01 4.45 0.00 3.03 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 0.00 122 G 8.52 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 0.00 0.00 0.00 123 L 7.68 4.60 0.00 2.00 1.65 1.01 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.24 4.46 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 0.00 125 V 8.51 4.66 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 0.91 0.00 0.00 0.99 0.00 0.00 126 T 8.81 4.73 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 0.00 127 F 8.42 5.17 0.00 2.91 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 0.00 128 G 6.69 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 Q 8.43 4.79 0.00 1.86 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 130 L 8.43 4.85 0.00 1.51 1.47 0.85 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 131 P 0.00 5.35 0.00 1.95 2.00 0.00 3.66 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 132 F 8.79 4.89 0.00 2.76 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 0.00 133 E 8.34 4.29 0.00 1.85 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 2.15 2.15 0.00 134 P 0.00 4.30 0.00 1.97 1.39 0.00 3.35 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.57 0.00 135 E 9.06 3.91 0.00 1.95 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 0.00 2.47 2.41 0.00 136 A 8.72 3.94 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 0.00 137 G 8.17 3.85 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 0.00 0.00 0.00 138 A 7.54 4.31 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.