NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3982 8.3144 122.1411 54.4028 32.8697 174.9584 3 E 4.6418 7.8733 129.0633 53.5262 32.5468 173.2345 4 P 4.7210 0.0000 0.0000 62.8029 31.8071 176.9991 5 L 4.7419 8.5818 126.6715 56.4055 41.9180 176.6975 6 R 4.4496 7.6967 111.3185 54.6145 31.5193 175.4123 7 P 4.4725 0.0000 0.0000 64.3552 32.0829 175.2813 8 R 4.7985 8.3856 121.2009 54.9970 31.3735 176.1755 9 C 4.3424 8.9101 124.8144 57.3927 38.5297 172.8956 10 R 4.7945 8.3504 121.9375 53.5841 32.1007 173.1817 11 P 4.6717 0.0000 0.0000 62.4995 32.2255 175.4817 12 I 4.6668 8.7540 124.0208 58.8570 41.5551 174.4846 13 N 5.0616 8.8719 123.9077 53.7058 39.4729 174.1978 14 A 4.4530 8.6057 120.2811 51.6367 23.5117 175.5801 15 T 4.7426 8.6655 111.3821 60.5863 70.1851 173.7158 16 L 4.6884 8.8098 129.7250 52.6950 44.1680 175.3063 17 A 4.6297 8.6825 129.0516 51.9637 19.2771 176.7859 18 V 4.4949 8.8224 122.1558 59.8268 34.0553 174.5717 19 E 4.8212 8.8003 122.3698 54.3149 32.5491 174.5471 20 K 4.5132 8.3952 121.1649 54.2735 34.9103 175.3099 21 E 4.2388 8.8519 126.1021 56.4975 28.1115 175.3146 22 G 4.4437 7.6215 123.3621 45.4354 0.0000 170.3860 23 C 5.0381 7.2598 114.0012 52.4693 44.0896 172.9052 24 P 4.5385 0.0000 0.0000 63.6654 30.5655 177.4763 25 V 4.2041 7.0071 114.4293 59.9277 30.6632 173.0084 26 C 4.4143 8.2635 122.2403 56.0848 45.8752 172.5881 27 I 4.6911 7.9151 121.7375 59.6237 40.6226 174.0639 28 T 5.1144 8.2201 116.3848 62.5888 72.4505 173.8098 29 V 4.5879 8.6452 117.6854 59.1412 36.5659 174.2886 30 N 4.8816 8.5864 119.7968 53.2911 38.1512 174.1886 31 T 4.5109 8.5543 115.4842 61.8742 72.0293 171.6470 32 T 5.1243 8.4538 121.3996 61.7757 71.0784 173.5696 33 I 4.5246 8.4445 120.0587 59.1329 40.8786 174.0616 34 C 4.8006 7.9081 120.3538 56.5451 40.6051 172.9754 35 A 4.3808 7.5896 121.4276 50.8329 22.7664 177.0641 36 G 4.2184 7.4577 105.8350 46.1544 0.0000 170.4931 37 Y 4.6214 8.2676 117.5070 56.3240 40.1418 174.4593 38 C 5.0904 8.5236 120.9502 53.9390 43.9314 171.8780 39 P 4.5761 0.0000 0.0000 63.0610 31.5909 175.8060 40 T 4.6171 8.0978 110.4656 61.3844 71.3164 172.5517 41 M 4.6106 7.9445 118.1679 55.0232 33.1715 172.6639 42 T 4.7300 8.1978 107.9095 60.2741 72.1739 172.3377 43 R 4.6581 8.3067 120.1491 54.5770 32.6884 174.8089 44 V 4.3038 8.3881 121.1780 62.4523 33.6541 175.5370 45 L 4.4189 7.9143 118.7662 56.6786 43.3811 176.2488 46 Q 4.1520 7.9306 119.8234 55.4516 28.4893 176.9931 47 G 3.4317 8.6269 112.8244 47.0896 0.0000 174.6674 48 V 3.6745 7.1599 119.5642 63.6155 31.6588 175.8225 49 L 5.0664 7.1777 126.1250 54.9339 42.5661 171.5360 50 P 4.4137 0.0000 0.0000 62.5132 31.7152 176.4761 51 A 4.7065 8.4143 127.4715 51.5677 19.6681 175.4475 52 L 4.3595 7.8859 122.2187 54.4950 42.9823 174.5485 53 P 4.3625 0.0000 0.0000 63.1318 31.7563 175.5065 54 Q 4.7586 8.4269 119.3735 54.1853 31.5128 175.1021 55 V 4.6977 8.1277 112.6969 59.7469 34.6213 175.4855 56 V 4.5553 8.3446 116.6802 59.3757 35.4838 174.2077 57 C 4.7689 8.6559 123.3297 56.9772 45.1970 172.1239 58 N 5.0322 9.0968 122.0315 51.9600 43.4451 173.1682 59 Y 4.4870 8.6331 117.0707 58.6791 38.5329 174.8713 60 R 4.4995 9.2683 119.2192 57.4058 31.9495 174.6114 61 D 5.0251 8.0744 118.3718 52.5262 43.5820 174.9832 62 V 4.9554 8.3937 116.3158 59.3055 35.4511 175.2414 63 R 4.6362 8.4227 119.0310 54.4614 32.8022 174.1846 64 F 5.2554 8.8562 118.7018 56.0868 41.9084 174.2789 65 E 4.7686 8.5316 119.9284 54.5109 34.2981 174.7927 66 S 5.7685 8.2148 114.1151 56.1107 65.8084 173.0794 67 I 4.7428 9.0651 124.8476 58.9945 40.6380 173.8218 68 R 4.8110 8.5063 125.3419 54.7556 31.0030 176.4370 69 L 4.3529 8.6341 124.5416 53.4585 40.8132 174.4966 70 P 4.7026 0.0000 0.0000 61.2239 33.0415 174.9158 71 G 3.4586 9.0373 113.4922 45.8779 0.0000 175.0933 72 C 4.1436 7.9015 117.5642 56.6432 36.8871 171.9721 73 P 4.5435 0.0000 0.0000 61.9036 31.7709 175.8717 74 R 3.9925 8.1907 120.7229 56.9095 30.5668 175.3268 75 G 4.0240 8.9234 115.8326 46.1579 0.0000 174.5603 76 V 3.8193 7.2540 120.1000 61.7642 32.1305 174.8452 77 N 4.5589 8.5982 126.1145 52.7019 39.4338 172.7402 78 P 4.1995 0.0000 0.0000 65.6627 31.6992 175.8928 79 V 3.7104 7.0240 123.3808 63.0171 31.7056 174.9319 80 V 4.6753 8.7979 128.1171 59.7729 34.1599 174.8182 81 S 5.5216 8.7365 117.3650 56.8465 65.2001 172.7647 82 Y 5.0023 8.9124 121.4903 55.4156 40.9635 174.4190 83 A 4.5769 8.5392 122.5598 50.1416 20.7275 176.4469 84 V 3.8736 8.7397 123.4547 63.0392 33.1164 175.2273 85 A 4.7905 8.3319 130.2781 51.0858 18.3229 177.0605 86 L 4.1812 8.8296 122.3992 58.2364 42.3854 178.3422 87 S 4.8560 8.0657 113.5351 56.7906 66.6124 173.9148 88 C 5.4700 8.6663 122.1821 56.3689 42.3460 173.6620 89 Q 4.6924 8.8425 119.4601 55.2638 32.9490 173.3848 90 C 5.2122 8.7645 116.9121 56.5356 40.3772 172.8474 91 A 4.3803 8.2000 126.8356 51.2767 22.2411 175.1671 92 L 4.4220 8.5162 115.3328 54.3669 42.9520 176.4632 93 C 4.5444 8.3822 119.6789 55.5467 38.9626 173.1297 94 R 4.3404 8.3785 126.2222 54.8870 29.5792 176.7346 95 R 3.9239 8.9134 124.4523 59.4621 30.0837 177.8784 96 S 4.3079 8.2326 110.5647 60.8026 63.1036 174.9425 97 T 4.6628 7.7310 108.8179 60.7518 68.9336 173.4351 98 T 4.5831 7.7532 116.0774 63.1637 72.6074 173.5049 99 D 4.7492 8.4409 124.2082 52.7018 41.1965 176.0761 100 C 4.7649 8.4488 123.1632 55.7533 42.5190 174.2656 101 G 4.0778 7.3365 114.4575 46.5061 0.0000 175.7142 102 G 4.0451 8.5051 116.1376 42.9492 0.0000 169.1667 103 P 4.2109 0.0000 0.0000 62.5471 30.1176 176.3946 104 K 4.2058 8.6419 123.0894 56.1992 32.1766 177.3640 105 D 3.7848 7.0478 114.7006 55.1004 40.9951 176.0834 106 H 4.8571 7.8437 114.7886 51.6930 31.4825 172.0132 107 P 4.4031 0.0000 0.0000 62.0926 31.5878 176.9845 108 L 4.1809 8.1797 119.7650 55.6253 37.9448 175.9295 109 T 4.0181 7.1932 118.3784 62.2820 70.0426 173.0363 110 C 4.4631 8.8994 123.7588 57.1786 40.4319 173.1249 111 D 4.1594 8.7826 127.4857 55.6671 39.5761 173.5590 *112 D 4.4530 8.1367 120.2453 53.1041 40.5112 177.5778 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 K 8.31 4.40 0.00 1.79 1.72 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 3 E 7.87 4.64 0.00 1.94 1.76 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 2.17 2.39 0.00 4 P 0.00 4.72 0.00 2.05 1.35 0.00 3.68 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 5 L 8.58 4.74 0.00 1.53 1.56 0.91 0.72 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 6 R 7.70 4.45 0.00 1.80 1.69 0.00 3.34 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 7 P 0.00 4.47 0.00 2.23 2.25 0.00 3.51 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 8 R 8.39 4.80 0.00 1.87 1.87 0.00 3.10 0.00 0.00 2.25 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.48 0.00 9 C 8.91 4.34 0.00 3.02 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 10 R 8.35 4.79 0.00 1.91 2.20 0.00 2.83 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 11 P 0.00 4.67 0.00 1.94 2.00 0.00 3.60 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 12 I 8.75 4.67 1.85 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 1.21 1.35 0.95 0.00 0.00 13 N 8.87 5.06 0.00 2.63 2.74 0.00 0.00 6.77 7.35 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 14 A 8.61 4.45 1.18 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 0.00 0.00 15 T 8.67 4.74 4.22 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 0.00 0.00 0.00 1.20 0.00 0.00 16 L 8.81 4.69 0.00 1.75 1.52 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.68 4.63 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.82 4.49 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 0.77 0.00 0.00 0.93 0.00 0.00 19 E 8.80 4.82 0.00 1.93 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 2.17 2.30 0.00 20 K 8.40 4.51 0.00 1.77 1.65 0.00 1.87 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.39 1.38 7.81 21 E 8.85 4.24 0.00 1.97 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 2.29 2.31 0.00 22 G 7.62 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 23 C 7.26 5.04 0.00 3.09 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 24 P 0.00 4.54 0.00 2.18 2.18 0.00 3.46 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 25 V 7.01 4.20 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 0.68 0.00 0.00 0.93 0.00 0.00 26 C 8.26 4.41 0.00 3.03 2.99 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 0.00 0.00 0.00 27 I 7.92 4.69 1.83 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 1.28 0.63 0.94 0.00 0.00 28 T 8.22 5.11 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 1.17 0.00 0.00 29 V 8.65 4.59 1.63 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 0.26 0.00 0.00 0.66 0.00 0.00 30 N 8.59 4.88 0.00 2.75 2.83 0.00 0.00 5.80 7.71 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 31 T 8.55 4.51 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 1.33 0.00 0.00 32 T 8.45 5.12 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 1.30 0.00 0.00 33 I 8.44 4.52 1.76 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 1.18 1.17 0.93 0.00 0.00 34 C 7.91 4.80 0.00 2.40 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 35 A 7.59 4.38 1.11 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 36 G 7.46 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 8.27 4.62 0.00 3.18 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 38 C 8.52 5.09 0.00 2.91 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 39 P 0.00 4.58 0.00 2.19 2.07 0.00 3.81 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 2.00 1.96 0.00 40 T 8.10 4.62 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 1.26 0.00 0.00 41 M 7.94 4.61 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 42 T 8.20 4.73 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 1.21 0.00 0.00 43 R 8.31 4.66 0.00 1.74 1.79 0.00 3.18 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 44 V 8.39 4.30 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 0.86 0.00 0.00 0.93 0.00 0.00 45 L 7.91 4.42 0.00 1.59 1.62 0.92 0.75 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 46 Q 7.93 4.15 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.72 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 47 G 8.63 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 0.00 0.00 0.00 48 V 7.16 3.67 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 0.81 0.00 0.00 0.93 0.00 0.00 49 L 7.18 5.07 0.00 1.86 1.70 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.41 0.00 2.07 2.04 0.00 3.63 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 2.02 2.08 0.00 51 A 8.41 4.71 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 52 L 7.89 4.36 0.00 1.60 1.59 0.92 1.01 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 53 P 0.00 4.36 0.00 2.22 2.05 0.00 3.77 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 54 Q 8.43 4.76 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.73 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 55 V 8.13 4.70 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 0.73 0.00 0.00 0.94 0.00 0.00 56 V 8.34 4.56 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 0.96 0.00 0.00 0.93 0.00 0.00 57 C 8.66 4.77 0.00 2.95 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 58 N 9.10 5.03 0.00 2.69 2.72 0.00 0.00 6.85 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 59 Y 8.63 4.49 0.00 2.80 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 60 R 9.27 4.50 0.00 1.78 1.88 0.00 3.21 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 61 D 8.07 5.03 0.00 2.76 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.39 4.96 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 0.54 0.00 0.00 0.46 0.00 0.00 63 R 8.42 4.64 0.00 1.80 1.91 0.00 2.69 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.46 0.00 64 F 8.86 5.26 0.00 2.77 2.94 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 E 8.53 4.77 0.00 1.16 1.17 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 2.07 2.03 0.00 66 S 8.21 5.77 0.00 3.90 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 67 I 9.07 4.74 1.90 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 1.35 1.33 0.85 0.00 0.00 68 R 8.51 4.81 0.00 1.86 1.94 0.00 3.10 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 69 L 8.63 4.35 0.00 1.56 1.69 0.98 1.11 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 70 P 0.00 4.70 0.00 2.04 1.97 0.00 3.67 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 71 G 9.04 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 0.00 0.00 0.00 72 C 7.90 4.14 0.00 2.97 3.07 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 73 P 0.00 4.54 0.00 2.17 1.97 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 74 R 8.19 3.99 0.00 1.77 1.83 0.00 3.21 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 75 G 8.92 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 7.25 3.82 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 0.76 0.00 0.00 0.93 0.00 0.00 77 N 8.60 4.56 0.00 2.72 2.71 0.00 0.00 7.18 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 78 P 0.00 4.20 0.00 2.09 2.09 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 79 V 7.02 3.71 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 0.77 0.00 0.00 0.99 0.00 0.00 80 V 8.80 4.68 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 0.81 0.00 0.00 0.99 0.00 0.00 81 S 8.74 5.52 0.00 3.98 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 82 Y 8.91 5.00 0.00 3.10 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 83 A 8.54 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.74 3.87 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 0.92 0.00 0.00 0.88 0.00 0.00 85 A 8.33 4.79 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 86 L 8.83 4.18 0.00 1.66 1.73 0.90 0.66 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 87 S 8.07 4.86 0.00 3.86 3.71 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 88 C 8.67 5.47 0.00 2.77 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 8.84 4.69 0.00 1.69 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 90 C 8.76 5.21 0.00 2.84 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.20 4.38 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 92 L 8.52 4.42 0.00 1.64 1.64 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 93 C 8.38 4.54 0.00 2.93 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 94 R 8.38 4.34 0.00 1.93 1.89 0.00 3.23 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 95 R 8.91 3.92 0.00 1.77 1.99 0.00 3.25 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 96 S 8.23 4.31 0.00 4.02 3.99 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 0.00 0.00 0.00 97 T 7.73 4.66 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 98 T 7.75 4.58 4.40 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 1.25 0.00 0.00 99 D 8.44 4.75 0.00 2.60 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 C 8.45 4.76 0.00 3.01 2.99 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 0.00 0.00 0.00 101 G 7.34 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 G 8.51 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.21 0.00 2.04 2.05 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 104 K 8.64 4.21 0.00 1.75 1.79 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.67 1.38 7.81 105 D 7.05 3.78 0.00 2.78 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 H 7.84 4.86 0.00 3.21 3.24 0.00 5.54 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 4.40 0.00 2.16 2.09 0.00 3.78 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 1.96 1.95 0.00 108 L 8.18 4.18 0.00 1.76 1.77 0.92 0.56 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 0.00 109 T 7.19 4.02 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 1.19 0.00 0.00 110 C 8.90 4.46 0.00 2.99 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 0.00 111 D 8.78 4.16 0.00 2.70 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 *112 D 8.14 4.45 0.00 2.48 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 * Residues marked with a * may have inaccurate shift predictions.