NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 P 4.5833 0.0000 0.0000 62.4043 33.5247 174.7945 13 I 4.7198 8.2874 123.9337 59.1354 40.5140 173.2192 14 I 4.7943 9.0230 127.1292 59.6309 40.9178 174.0149 15 Y 5.1253 8.4113 125.9422 57.6988 38.8473 174.9204 16 L 4.7877 9.3634 126.4895 53.3797 44.8323 175.1901 17 V 4.8878 8.6855 127.5479 61.4594 33.3173 173.6708 18 D 5.0518 8.7939 127.9417 53.0934 44.4817 175.5064 19 H 4.9832 9.1347 119.8634 56.1696 29.4020 175.5112 20 Q 4.2882 8.2192 121.5441 54.3698 29.4568 175.7348 21 K 3.8319 8.6233 126.5606 59.9899 32.3086 178.1842 22 D 4.3870 8.1509 118.0950 57.2387 40.6283 178.7128 23 A 4.0019 7.8882 120.8198 55.1283 18.4697 179.5277 24 R 3.8234 8.1788 116.5517 59.3780 30.0946 179.0252 25 A 3.9513 7.9808 120.0484 55.1696 18.3983 179.4659 26 A 3.9541 8.1057 119.1292 55.4197 18.5868 179.8399 27 L 3.9733 8.1782 117.6138 57.9472 41.4348 179.8712 28 S 4.0841 7.9947 114.0940 61.5258 63.1660 176.2258 29 K 4.0145 8.2356 122.3540 59.6927 31.7032 178.4759 30 L 4.0613 7.9901 119.0518 57.4491 42.1257 177.8818 31 L 4.5520 7.6014 116.8966 54.4635 41.6293 178.4089 32 S 4.1454 7.7353 116.0285 60.9489 63.0838 173.8916 33 P 4.3759 0.0000 0.0000 63.9390 31.3270 176.2534 34 L 4.3874 7.2698 119.5183 54.1436 42.6411 177.6598 35 D 4.7401 8.3709 122.1009 52.6543 38.4176 175.7504 36 V 4.3960 6.9937 117.1100 61.0810 34.2751 172.6312 37 T 4.5504 8.8365 118.0200 60.5519 69.6575 172.9934 38 I 4.7784 8.3314 129.2670 59.9833 38.7575 174.7054 39 Q 4.5174 8.6828 129.2577 54.7928 30.3603 174.2593 40 C 5.2508 8.5320 124.2790 58.9667 30.2454 173.3286 41 F 4.8486 9.3365 119.7805 55.9924 42.9786 175.5009 42 A 4.5955 9.2081 124.0505 52.1973 19.1857 176.4902 43 S 4.8944 7.5278 108.2832 57.0565 65.9881 175.0081 44 A 4.1608 8.6122 123.3494 55.4830 18.4289 179.8226 45 E 3.9650 8.3288 113.8702 59.6634 29.7188 178.3706 46 S 4.2801 7.9326 112.0298 61.3900 62.7250 174.6371 47 F 3.6506 7.8461 122.4044 58.2918 38.6966 176.0535 *49 R 4.3585 7.8931 114.3663 55.4895 31.5336 175.2645 50 Q 4.1890 7.2874 117.7688 53.9627 31.4320 174.4531 51 Q 4.0586 8.3735 126.3112 54.5161 28.9897 175.2833 52 I 3.5447 7.7976 126.9304 61.5845 37.7885 176.3908 53 S 4.4496 9.4035 120.4773 58.2240 62.8875 174.3642 54 D 4.6919 8.5106 122.7204 56.0711 41.2078 177.3446 55 D 4.5218 8.1879 118.1442 54.7036 41.3676 175.9883 56 A 4.5043 7.4566 122.7825 51.8940 18.6809 177.1775 57 I 4.2832 8.1185 116.4112 60.9700 39.2842 176.2710 58 G 3.9055 7.3761 109.0970 47.0970 0.0000 172.0226 *60 I 4.4440 8.0443 121.8225 61.3482 38.9030 174.9880 61 I 4.8976 8.5982 127.8074 59.0580 41.1649 174.5780 62 E 4.1163 8.9849 128.0807 56.0486 30.1955 177.4545 63 A 3.9360 8.8084 128.7607 53.9737 19.6836 176.9388 64 H 5.1338 8.6852 112.7853 54.0258 28.6370 173.7141 65 L 4.0438 7.9783 120.9529 56.3088 42.4471 177.9205 66 E 3.6624 8.7265 120.9793 57.4542 27.1136 175.1858 67 D 4.3858 7.6865 114.4999 54.7206 39.4465 174.4225 68 K 4.2485 7.9733 120.5997 54.5093 31.7274 176.1512 69 K 3.9310 8.5893 125.0850 58.2611 32.3569 176.2728 70 D 4.5932 9.5120 123.2709 54.9752 39.2468 175.5204 71 S 4.2178 8.1723 116.2719 61.5877 62.6911 176.8445 72 G 4.1197 8.4898 110.9291 47.2099 0.0000 175.8556 73 I 3.8466 7.5901 121.6615 64.1431 37.1548 178.1869 74 E 4.6067 8.4419 121.1398 58.5251 29.1200 179.1710 75 L 3.9287 7.7868 120.7053 57.9374 42.1306 178.7294 76 L 3.9091 7.6383 119.8281 58.1610 41.9489 178.6530 77 E 3.9625 8.5636 118.8952 59.9601 29.4417 179.6364 78 T 3.9345 8.2283 115.8626 66.5434 68.3478 176.7971 79 L 4.1503 8.2372 121.1806 57.7311 41.6011 179.7111 80 V 3.6403 8.0090 118.2181 66.1005 31.2976 178.2608 81 K 4.0083 7.8018 116.7032 59.3200 31.8756 178.5963 82 R 4.2886 7.6759 115.8460 56.2031 30.0368 177.6344 83 G 3.9050 8.1583 108.8759 45.4062 0.0000 174.3720 84 F 4.3241 7.3858 119.2728 57.7251 39.0075 174.7333 85 H 4.8080 8.9526 122.7379 53.8635 30.1035 172.4982 86 L 4.8913 8.2242 123.3467 51.7827 44.8408 174.9895 87 P 4.2972 0.0000 0.0000 63.8386 32.5091 175.1459 88 T 4.7086 8.5796 119.9580 61.7359 72.3507 172.7482 89 I 4.6260 8.2791 126.6172 59.9786 39.2495 175.6602 90 V 4.8121 8.6643 127.3314 60.6080 34.3477 174.1061 *92 A 4.2988 8.2213 122.9661 52.1005 19.4724 177.7045 93 S 4.8840 8.8148 115.6749 59.8378 64.1228 174.5802 94 S 4.5590 7.8423 115.1939 56.5957 63.0847 173.0490 95 S 4.6113 8.3510 119.0103 56.4394 64.9164 174.2337 96 D 5.0005 8.3103 126.9744 51.2356 43.1164 177.3473 97 I 3.6281 8.0901 119.8010 64.3152 37.0195 176.6485 98 P 4.1871 0.0000 0.0000 66.0953 31.0513 178.7733 99 T 3.8130 8.3135 114.1334 66.4528 68.1444 176.6440 100 A 2.5871 7.0399 121.2210 54.6593 18.3717 179.5223 101 V 3.5625 7.4732 115.7123 65.9650 31.8813 177.8865 102 R 4.0329 8.1105 118.3458 59.2294 30.0208 179.0426 103 A 4.0309 7.7630 117.4033 53.1376 18.1976 179.1629 *105 R 4.1659 7.9972 120.2234 57.4749 31.9939 176.4106 106 A 4.2528 7.9039 118.9498 52.2540 18.6192 177.8819 107 S 4.2786 8.2302 109.5302 58.0148 60.9415 169.0092 108 A 4.1646 7.5793 122.7306 52.9112 18.5218 178.4352 109 A 4.2432 8.8181 124.0328 54.9247 19.2006 177.1462 110 D 4.5186 7.5957 112.1075 53.6633 44.9011 174.4164 111 F 5.1670 8.9214 124.4857 56.5574 41.6500 173.9273 112 I 4.4239 8.1340 127.9314 59.4126 38.7277 175.7004 113 E 4.4080 8.8035 126.7357 56.0684 30.5833 176.2086 114 K 5.0579 8.9793 122.6763 53.5237 35.5499 174.2080 115 P 4.5628 0.0000 0.0000 63.1261 31.6023 175.8278 116 F 4.8962 8.2868 116.1960 55.2008 40.3199 174.9521 117 I 4.0759 8.0717 122.2384 60.1826 37.9653 175.9585 118 E 4.0901 9.0360 126.9507 60.1186 29.3414 178.7756 119 H 4.3586 8.2269 113.9152 58.2280 28.5731 177.5305 120 V 3.5311 7.4066 121.1806 65.7538 31.3521 177.7434 121 L 3.8539 7.8610 119.6049 58.0857 42.0097 178.6256 122 V 3.5861 7.7933 118.2645 66.4623 31.4381 177.3908 123 H 4.1101 8.5825 118.1256 59.4791 29.7328 176.9648 124 D 4.3525 8.1419 120.6586 57.2402 40.5409 178.9792 125 V 3.5405 7.9341 118.8437 66.0361 31.5684 177.8582 126 Q 3.9038 8.3146 119.6203 59.2630 28.7338 178.0690 127 Q 4.0522 8.1365 120.5426 59.0559 28.7747 178.3670 128 I 3.7765 7.2839 119.9222 64.0663 37.2267 178.0644 129 I 3.8325 7.6457 119.9204 64.6633 37.1109 178.0858 130 N 4.5513 8.4410 116.1207 55.9293 38.3611 175.9749 131 G 3.8624 7.6121 110.8654 44.9620 0.0000 173.1669 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 12 P 0.00 4.58 0.00 2.06 2.00 0.00 3.50 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 13 I 8.29 4.72 1.58 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 1.18 0.84 0.68 0.00 0.00 14 I 9.02 4.79 1.82 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 1.15 1.05 0.87 0.00 0.00 15 Y 8.41 5.13 0.00 2.82 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 16 L 9.36 4.79 0.00 1.74 1.57 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.69 4.89 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 0.96 0.00 0.00 0.43 0.00 0.00 18 D 8.79 5.05 0.00 2.71 2.42 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 19 H 9.13 4.98 0.00 3.34 3.49 0.00 5.17 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.22 4.29 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.79 0.00 0.00 0.00 0.00 0.00 1.97 2.38 0.00 21 K 8.62 3.83 0.00 1.82 1.81 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.54 7.81 22 D 8.15 4.39 0.00 2.73 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 23 A 7.89 4.00 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 24 R 8.18 3.82 0.00 2.02 2.00 0.00 3.15 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 25 A 7.98 3.95 1.37 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 0.00 0.00 0.00 26 A 8.11 3.95 1.44 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 27 L 8.18 3.97 0.00 1.79 1.67 1.01 0.81 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 28 S 7.99 4.08 0.00 4.08 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 29 K 8.24 4.01 0.00 1.98 1.95 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.47 7.81 30 L 7.99 4.06 0.00 1.74 2.03 1.02 1.12 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 31 L 7.60 4.55 0.00 1.75 1.64 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 32 S 7.74 4.15 0.00 4.03 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 33 P 0.00 4.38 0.00 2.20 2.23 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 34 L 7.27 4.39 0.00 1.74 1.62 0.92 1.13 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 35 D 8.37 4.74 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 36 V 6.99 4.40 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 0.56 0.00 0.00 0.94 0.00 0.00 37 T 8.84 4.55 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 1.21 0.00 0.00 38 I 8.33 4.78 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.99 0.97 0.00 0.00 39 Q 8.68 4.52 0.00 2.29 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 40 C 8.53 5.25 0.00 2.82 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 41 F 9.34 4.85 0.00 2.93 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 42 A 9.21 4.60 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 43 S 7.53 4.89 0.00 4.07 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.61 4.16 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 45 E 8.33 3.96 0.00 1.99 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 0.00 2.32 2.32 0.00 46 S 7.93 4.28 0.00 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 0.00 47 F 7.85 3.65 0.00 2.84 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 *49 R 7.89 4.36 0.00 1.99 1.94 0.00 3.21 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.84 0.00 50 Q 7.29 4.19 0.00 1.43 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.88 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 51 Q 8.37 4.06 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.66 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 52 I 7.80 3.54 1.53 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.20 1.10 0.00 0.00 53 S 9.40 4.45 0.00 3.93 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 54 D 8.51 4.69 0.00 2.72 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 55 D 8.19 4.52 0.00 2.72 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 56 A 7.46 4.50 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.12 4.28 1.85 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 1.23 0.70 0.89 0.00 0.00 58 G 7.38 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 0.00 0.00 0.00 *60 I 8.04 4.44 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.53 0.83 0.00 0.00 61 I 8.60 4.90 1.79 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 0.89 1.39 0.87 0.00 0.00 62 E 8.98 4.12 0.00 2.06 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 0.00 2.41 2.40 0.00 63 A 8.81 3.94 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 H 8.69 5.13 0.00 3.15 3.21 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.98 4.04 0.00 1.71 1.58 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.73 3.66 0.00 2.01 1.95 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 2.19 2.25 0.00 67 D 7.69 4.39 0.00 2.77 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 68 K 7.97 4.25 0.00 1.90 1.76 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.52 7.81 69 K 8.59 3.93 0.00 1.67 1.75 0.00 1.88 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.37 7.81 70 D 9.51 4.59 0.00 2.95 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 71 S 8.17 4.22 0.00 4.07 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.49 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 0.00 0.00 0.00 73 I 7.59 3.85 2.04 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.60 0.97 0.00 0.00 74 E 8.44 4.61 0.00 2.12 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 2.49 2.44 0.00 75 L 7.79 3.93 0.00 1.77 1.86 0.98 0.32 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 76 L 7.64 3.91 0.00 1.77 1.85 0.92 1.30 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 77 E 8.56 3.96 0.00 2.19 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 2.34 2.53 0.00 78 T 8.23 3.93 4.39 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 1.25 0.00 0.00 79 L 8.24 4.15 0.00 1.92 1.84 0.96 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 80 V 8.01 3.64 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 1.02 0.00 0.00 0.99 0.00 0.00 81 K 7.80 4.01 0.00 1.97 1.87 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.64 7.81 82 R 7.68 4.29 0.00 2.17 2.04 0.00 3.35 0.00 0.00 3.40 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.89 0.00 83 G 8.16 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 F 7.39 4.32 0.00 3.21 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 85 H 8.95 4.81 0.00 3.10 3.28 0.00 5.84 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.22 4.89 0.00 1.54 1.58 1.09 1.17 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 87 P 0.00 4.30 0.00 2.07 2.02 0.00 3.83 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 88 T 8.58 4.71 4.24 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 1.16 0.00 0.00 89 I 8.28 4.63 1.79 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 1.20 0.67 0.80 0.00 0.00 90 V 8.66 4.81 2.22 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 1.23 0.00 0.00 0.97 0.00 0.00 *92 A 8.22 4.30 1.23 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 0.00 0.00 0.00 93 S 8.81 4.88 0.00 4.02 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 94 S 7.84 4.56 0.00 3.89 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 95 S 8.35 4.61 0.00 4.09 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 96 D 8.31 5.00 0.00 2.96 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 97 I 8.09 3.63 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 1.62 0.80 0.86 0.00 0.00 98 P 0.00 4.19 0.00 2.13 2.09 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 99 T 8.31 3.81 4.46 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 1.39 0.00 0.00 100 A 7.04 2.59 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.47 3.56 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 0.79 0.00 0.00 0.92 0.00 0.00 102 R 8.11 4.03 0.00 1.99 2.03 0.00 3.16 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 1.66 1.64 0.00 103 A 7.76 4.03 1.47 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 0.00 0.00 *105 R 8.00 4.17 0.00 2.04 2.04 0.00 3.18 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 106 A 7.90 4.25 1.36 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 0.00 0.00 0.00 0.00 0.00 107 S 8.23 4.28 0.00 4.15 4.29 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 0.00 108 A 7.58 4.16 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.82 4.24 1.31 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 0.00 110 D 7.60 4.52 0.00 2.78 2.46 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 0.00 111 F 8.92 5.17 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 0.00 112 I 8.13 4.42 1.65 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 1.18 0.66 0.87 0.00 0.00 113 E 8.80 4.41 0.00 1.89 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 2.48 2.48 0.00 114 K 8.98 5.06 0.00 1.66 1.79 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.29 7.81 115 P 0.00 4.56 0.00 2.10 2.03 0.00 3.77 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 1.99 1.95 0.00 116 F 8.29 4.90 0.00 3.15 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 0.00 117 I 8.07 4.08 1.84 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 1.29 0.79 0.83 0.00 0.00 118 E 9.04 4.09 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 2.46 2.51 0.00 119 H 8.23 4.36 0.00 3.42 3.58 0.00 5.51 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.41 3.53 2.24 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 0.98 0.00 0.00 0.80 0.00 0.00 121 L 7.86 3.85 0.00 1.69 1.85 0.76 0.50 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 0.00 122 V 7.79 3.59 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.01 0.00 0.00 123 H 8.58 4.11 0.00 3.30 3.52 0.00 5.64 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 0.00 124 D 8.14 4.35 0.00 2.87 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 0.00 125 V 7.93 3.54 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 1.05 0.00 0.00 0.95 0.00 0.00 126 Q 8.31 3.90 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 127 Q 8.14 4.05 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.60 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 128 I 7.28 3.78 2.02 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 1.51 0.86 0.89 0.00 0.00 129 I 7.65 3.83 2.17 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 1.50 0.67 0.93 0.00 0.00 130 N 8.44 4.55 0.00 2.63 2.88 0.00 0.00 7.10 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.61 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 * Residues marked with a * may have inaccurate shift predictions.