NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3261 8.1593 110.9385 61.7746 71.1380 174.1613 3 S 4.1397 7.7978 119.6354 57.1019 64.0887 173.0182 4 K 4.2378 8.6535 124.9008 56.4454 33.5309 176.6875 5 I 4.5505 8.7944 126.9623 59.1737 40.1368 174.5962 6 A 4.2778 8.6947 129.7248 52.1015 18.1114 176.7236 7 L 4.3924 8.8038 123.5760 56.5472 43.3827 177.4382 8 F 4.6422 7.8267 119.4231 57.2818 42.9379 173.2638 9 D 5.0745 7.6308 125.0309 53.5698 42.1591 173.6384 10 Q 4.5047 8.8609 122.2634 54.0904 34.4370 173.3564 11 T 4.9828 8.3800 117.3617 62.5946 70.3478 174.0627 12 L 5.8045 9.0291 125.7429 51.9210 46.0063 175.5814 13 I 4.6754 8.3761 121.8445 60.9243 38.0504 175.1690 14 A 4.9316 9.0791 127.6522 50.2845 23.4330 174.5671 15 S 4.9259 8.9104 115.8554 57.2197 64.9688 173.1897 16 L 5.0803 9.0610 127.5003 53.4219 43.8740 174.9521 17 L 5.3773 8.8732 126.4283 53.1230 44.9882 175.4550 18 Q 5.1185 8.7582 118.9003 54.3813 32.2117 172.4295 19 P 4.8483 0.0000 0.0000 62.6573 32.0135 176.9641 20 L 4.1121 8.4663 121.5142 57.7178 41.9132 177.0590 21 S 4.5907 7.5425 111.4120 57.6507 65.8930 176.8193 22 L 4.0066 8.7695 119.8142 57.3168 41.2382 177.8435 23 N 4.6911 7.8316 114.0950 53.3669 39.6212 174.6009 24 Q 4.3920 7.6364 115.8742 54.1294 29.9151 173.9380 25 P 4.2891 0.0000 0.0000 63.8084 32.1843 177.0676 26 D 4.2544 7.8484 118.9268 54.8992 41.6727 175.9144 27 F 5.3716 8.5151 121.4297 56.9798 40.3316 175.1368 28 K 4.5883 9.1319 121.8000 55.4801 35.0414 175.1419 29 A 5.0350 7.8672 122.7078 50.4634 21.9201 174.9556 30 Y 4.9134 8.6263 118.9956 55.8950 42.5018 175.0456 31 K 4.6941 8.7854 122.3698 56.8025 33.0230 176.2547 32 T 4.6830 8.9803 118.2357 60.6577 71.4327 172.3882 33 K 4.8502 8.5071 125.4584 55.7511 33.4879 176.4790 34 V 4.6293 8.9727 123.9771 60.9563 35.4679 173.9941 35 K 4.8362 9.2926 129.4683 55.6478 33.5910 174.7934 36 L 5.2840 9.2004 130.4052 53.3391 44.4893 174.9305 37 K 5.2784 9.3648 125.7655 54.6785 35.4124 175.0074 38 I 4.7584 9.0151 126.0663 59.4069 40.1664 174.9270 39 S 5.1657 8.8045 120.5442 56.6232 67.2922 172.3387 40 E 5.3195 8.9305 118.3759 54.8303 32.3402 174.9037 41 Q 4.8035 9.0363 118.9313 55.1619 32.8839 172.8939 42 R 4.8120 8.5226 121.1656 54.7754 31.1726 175.5964 43 N 4.3595 9.2265 126.2908 54.0969 39.4336 175.6936 44 E 4.0093 9.0094 126.0367 59.5697 30.0424 178.3829 45 T 4.1540 8.1304 107.9610 63.7023 69.4145 175.5834 46 S 4.3857 8.6837 115.4515 57.5271 63.9985 175.4637 47 G 3.9635 8.4923 108.7554 45.0945 0.0000 173.3558 48 E 4.3595 7.8012 118.2074 55.4257 31.3661 176.2167 49 K 4.6272 8.6428 122.6268 56.8117 33.0761 175.8142 50 E 5.1613 9.7391 125.9867 54.5411 33.8797 174.2363 51 L 4.9755 9.5287 125.4589 53.3295 44.4996 174.7327 52 K 5.0925 9.1144 128.1796 54.7242 34.7708 174.4272 53 F 5.2381 9.5719 126.4506 55.7904 41.6982 174.4453 54 E 5.3235 9.3856 123.0515 54.4829 33.3218 174.7806 55 I 5.8340 9.3656 117.8750 58.6285 41.1185 174.5340 56 S 5.9774 8.8246 117.1786 57.8832 67.0217 172.4552 57 R 4.9646 8.5401 113.8786 55.2218 31.3906 176.3694 58 S 4.3419 9.0539 116.9500 61.3404 63.2868 175.2014 59 D 4.2931 8.0209 120.1102 57.0378 40.7210 175.9958 60 D 4.2314 8.0545 118.5691 53.0429 42.4059 175.2114 61 F 4.0612 8.3841 126.8898 60.8628 38.9981 176.7585 62 E 4.2133 8.7195 117.8276 57.5453 29.7915 177.4141 63 F 4.6133 9.0363 125.0924 56.8004 38.6636 172.4287 64 L 4.7983 7.0725 119.7069 52.6357 45.6253 174.8659 65 F 5.3508 9.1147 122.7592 55.7739 43.2500 174.4693 66 S 5.2351 8.9448 115.2802 57.7491 66.9792 172.3836 67 E 5.1399 9.4046 120.8341 55.0524 33.4189 173.5709 68 T 5.2618 8.7182 115.5520 59.9810 71.2508 173.0329 69 L 4.8720 9.5571 126.6960 53.0847 44.2917 176.1909 70 N 4.8024 8.4462 121.5772 51.3269 40.2517 175.1255 71 N 3.1400 8.2419 115.5752 56.5907 38.5489 176.2340 72 E 3.8353 7.8821 119.9631 59.1785 29.9918 178.6350 73 K 3.8771 8.6997 118.9973 59.6203 32.1010 178.6640 74 Y 3.8834 8.0322 119.9520 60.7145 38.7130 177.9382 75 Q 3.9053 8.0853 118.9413 59.0235 28.6677 179.1834 76 I 3.5925 7.3598 120.7604 64.1066 37.2155 178.1660 77 L 3.7593 7.4160 120.6156 58.0940 41.8007 178.9099 78 A 3.6464 7.6542 120.9518 54.8350 18.3337 179.6757 79 R 3.7123 7.7955 117.1882 59.7636 30.0240 178.6122 80 D 4.4607 8.0970 117.3530 56.4518 40.7148 176.8954 81 H 4.8100 7.4960 113.9130 54.6489 29.6581 173.2572 82 D 4.3989 7.5881 116.3706 55.2232 38.7303 174.3039 83 L 4.2923 7.9999 117.9535 55.0902 42.3060 177.7506 84 T 4.5202 8.5399 110.4341 61.4279 69.7493 174.2410 85 V 4.5174 7.6467 115.0016 59.5919 34.6377 175.3230 86 D 4.9044 8.2783 121.9886 52.3815 41.8172 177.0501 87 F 3.2436 8.6846 121.1459 61.6163 39.2202 176.4426 88 D 4.1293 8.0133 116.3872 56.9911 40.9827 178.0078 89 A 4.1449 8.8638 121.6145 54.2497 18.5070 178.9148 90 F 4.2069 8.1716 119.9258 61.5565 39.3246 175.8174 91 P 3.9335 0.0000 0.0000 65.6664 31.1200 178.4494 92 K 3.9255 7.8260 117.8165 59.1081 32.0373 179.3924 93 V 3.6813 7.9373 118.8447 65.9396 31.4658 178.2169 94 I 3.8616 7.5794 112.9507 63.9077 35.9505 178.3844 95 I 3.4598 7.6688 121.5973 64.1737 36.7744 177.9927 96 Q 4.2620 8.0712 118.6548 57.8493 29.0625 175.8292 97 H 4.9191 8.7153 114.4409 55.2447 31.0812 174.1958 98 L 4.6239 7.9694 116.4940 56.1013 44.1166 177.6725 99 L 4.2639 8.6040 118.6699 56.8514 41.9744 178.8267 100 C 4.2600 7.4496 113.0037 61.0052 29.4109 175.3227 101 K 4.1545 8.0887 118.2848 58.3518 32.1147 177.0856 102 N 4.8914 8.3201 115.2286 52.7379 39.1719 174.5398 103 I 4.3582 7.5507 120.2013 61.2960 38.3081 177.0993 104 V 3.7956 8.5861 127.4427 61.2927 29.7850 174.4727 *130 P 4.2237 0.0000 0.0000 63.0306 33.0799 177.7860 131 T 4.7055 8.5514 121.3171 63.0836 69.7166 174.1098 132 E 4.8016 9.1658 123.2833 54.6417 34.1159 174.6075 133 I 4.8119 8.2837 122.8456 59.5744 40.4339 174.0626 134 N 5.4114 9.0042 124.1231 51.4078 41.9046 173.5567 135 I 4.9660 8.9107 123.8722 59.6057 40.4322 174.4285 136 I 4.7736 8.5306 128.3401 59.4516 39.2129 175.1498 137 L 4.7392 8.7687 128.1573 53.7023 42.7066 176.6708 138 D 4.6283 9.1788 122.2591 54.4084 42.0015 177.2798 139 A 4.0761 8.8434 125.8062 55.1453 18.3235 178.5392 140 E 4.3660 8.2788 112.7905 55.7819 30.0732 176.4445 141 K 4.1413 7.5497 117.4990 57.7746 30.2020 176.2805 142 N 4.5837 7.6680 114.4046 54.8035 40.1274 175.6431 143 F 5.7104 8.0534 116.6187 55.9929 44.0870 173.6704 144 C 5.1254 8.9811 115.0383 56.7009 33.4639 172.6956 145 S 4.9603 9.0433 116.9999 57.3261 63.6139 172.4848 146 F 4.8950 9.4747 131.1365 57.1438 40.4626 174.0541 147 E 4.7468 8.8046 126.4707 54.1815 32.7579 174.8308 148 L 4.7271 7.4882 125.4346 53.1004 44.8014 175.0410 149 F 5.0940 9.1495 123.8471 55.7074 43.5489 174.2749 150 S 4.7963 9.3994 116.6894 55.9293 64.5742 172.8480 151 K 4.5576 8.4114 125.8131 56.3429 32.3807 176.0737 152 T 4.6351 8.5417 116.1540 58.9653 71.2180 173.5383 153 P 4.4104 0.0000 0.0000 64.5615 31.3129 177.4144 154 I 4.5375 7.6150 109.3882 60.0676 38.4729 174.8242 155 S 4.6474 7.6259 113.7524 57.2772 65.5253 175.6206 156 K 3.8865 8.7723 120.5198 57.5858 32.3654 177.6836 157 G 4.0766 8.1839 105.7379 45.3827 0.0000 173.6108 158 K 3.3038 8.1897 119.3328 56.6177 32.9324 175.5841 159 I 4.2449 8.3278 128.0785 63.0962 37.9442 175.7646 160 F 4.6156 6.8025 114.5249 55.7440 41.1710 172.4573 161 S 5.2582 8.2992 113.1680 56.6808 66.0391 173.1680 162 I 4.5474 8.9314 123.7259 59.2320 39.9331 174.6179 163 K 4.6508 8.8223 128.8455 56.3534 32.5844 175.8476 164 L 5.0800 9.3792 128.6127 53.5996 44.2967 175.3815 165 H 5.6506 8.8921 117.2371 53.3848 31.6672 173.4956 166 A 3.4090 8.5015 122.8455 52.8765 18.1043 177.1989 167 V 3.5731 8.8040 124.3738 62.4265 31.4381 176.3860 168 R 3.9071 7.4753 124.4898 56.6378 30.0764 176.1629 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 T 8.16 4.33 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 3 S 7.80 4.14 0.00 4.08 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 4 K 8.65 4.24 0.00 1.73 1.75 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.45 7.81 5 I 8.79 4.55 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 1.14 0.76 0.88 0.00 0.00 6 A 8.69 4.28 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 7 L 8.80 4.39 0.00 1.58 1.70 0.79 0.87 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 8 F 7.83 4.64 0.00 3.04 2.73 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 9 D 7.63 5.07 0.00 2.60 2.36 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 10 Q 8.86 4.50 0.00 1.75 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.62 0.00 0.00 0.00 0.00 0.00 1.16 1.49 0.00 11 T 8.38 4.98 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 1.25 0.00 0.00 12 L 9.03 5.80 0.00 1.66 1.63 1.17 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.38 4.68 1.89 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 1.30 0.51 0.92 0.00 0.00 14 A 9.08 4.93 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 15 S 8.91 4.93 0.00 3.90 3.68 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 16 L 9.06 5.08 0.00 1.70 1.67 1.14 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.87 5.38 0.00 0.84 0.72 0.32 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.76 5.12 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 19 P 0.00 4.85 0.00 2.20 1.98 0.00 3.83 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 20 L 8.47 4.11 0.00 1.65 1.75 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.54 4.59 0.00 3.91 3.96 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 22 L 8.77 4.01 0.00 1.67 1.80 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.83 4.69 0.00 2.62 2.80 0.00 0.00 6.98 8.40 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 24 Q 7.64 4.39 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.62 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 25 P 0.00 4.29 0.00 1.85 1.97 0.00 3.62 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 1.94 2.04 0.00 26 D 7.85 4.25 0.00 2.61 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 27 F 8.52 5.37 0.00 2.92 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 28 K 9.13 4.59 0.00 1.53 1.87 0.00 1.42 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.40 7.81 29 A 7.87 5.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 8.63 4.91 0.00 2.87 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 31 K 8.79 4.69 0.00 1.67 1.75 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.67 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.38 7.81 32 T 8.98 4.68 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 1.16 0.00 0.00 33 K 8.51 4.85 0.00 1.68 1.74 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.67 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.43 7.81 34 V 8.97 4.63 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 1.30 0.00 0.00 0.96 0.00 0.00 35 K 9.29 4.84 0.00 1.92 1.76 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.42 7.81 36 L 9.20 5.28 0.00 2.00 1.82 0.87 0.26 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 37 K 9.36 5.28 0.00 1.69 1.66 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.41 7.81 38 I 9.02 4.76 1.73 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.79 0.27 0.00 0.00 39 S 8.80 5.17 0.00 3.93 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 40 E 8.93 5.32 0.00 1.96 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 2.12 2.17 0.00 41 Q 9.04 4.80 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.89 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 42 R 8.52 4.81 0.00 1.84 1.88 0.00 3.28 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 43 N 9.23 4.36 0.00 2.91 2.70 0.00 0.00 6.80 7.48 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 44 E 9.01 4.01 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 2.32 2.31 0.00 45 T 8.13 4.15 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 46 S 8.68 4.39 0.00 3.98 4.03 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 47 G 8.49 3.96 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 0.00 0.00 0.00 48 E 7.80 4.36 0.00 2.12 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 2.31 2.29 0.00 49 K 8.64 4.63 0.00 1.86 1.93 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.60 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.49 7.81 50 E 9.74 5.16 0.00 2.07 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 2.29 2.28 0.00 51 L 9.53 4.98 0.00 1.93 1.83 0.78 0.74 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 52 K 9.11 5.09 0.00 1.83 1.60 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.45 7.81 53 F 9.57 5.24 0.00 2.95 2.81 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 0.00 0.00 0.00 54 E 9.39 5.32 0.00 1.89 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 55 I 9.37 5.83 2.21 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.70 1.05 0.00 0.00 56 S 8.82 5.98 0.00 4.03 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 57 R 8.54 4.96 0.00 1.88 1.93 0.00 2.56 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.40 0.00 58 S 9.05 4.34 0.00 4.08 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 59 D 8.02 4.29 0.00 2.54 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 60 D 8.05 4.23 0.00 2.65 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 61 F 8.38 4.06 0.00 3.07 3.01 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 0.00 0.00 0.00 62 E 8.72 4.21 0.00 2.19 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 2.38 2.31 0.00 63 F 9.04 4.61 0.00 3.24 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 64 L 7.07 4.80 0.00 1.37 1.35 0.90 1.01 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 65 F 9.11 5.35 0.00 2.77 2.81 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 0.00 0.00 0.00 66 S 8.94 5.24 0.00 3.97 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 67 E 9.40 5.14 0.00 2.27 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 2.28 2.42 0.00 68 T 8.72 5.26 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 1.29 0.00 0.00 69 L 9.56 4.87 0.00 1.91 1.79 1.10 0.54 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 N 8.45 4.80 0.00 2.91 2.97 0.00 0.00 5.87 6.96 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 71 N 8.24 3.14 0.00 2.55 2.67 0.00 0.00 6.54 7.65 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 72 E 7.88 3.84 0.00 2.00 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 2.32 2.34 0.00 73 K 8.70 3.88 0.00 2.09 1.83 0.00 1.80 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.43 7.81 74 Y 8.03 3.88 0.00 2.91 2.82 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 75 Q 8.09 3.91 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 76 I 7.36 3.59 1.94 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 1.33 0.77 0.83 0.00 0.00 77 L 7.42 3.76 0.00 1.55 1.29 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.65 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 R 7.80 3.71 0.00 1.94 1.99 0.00 3.05 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 80 D 8.10 4.46 0.00 2.47 2.45 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 0.00 0.00 0.00 0.00 81 H 7.50 4.81 0.00 3.18 3.47 0.00 6.00 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 D 7.59 4.40 0.00 2.89 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 83 L 8.00 4.29 0.00 1.52 1.67 0.60 1.12 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 84 T 8.54 4.52 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 85 V 7.65 4.52 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 0.87 0.00 0.00 1.20 0.00 0.00 86 D 8.28 4.90 0.00 3.03 2.89 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 87 F 8.68 3.24 0.00 2.79 3.09 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 88 D 8.01 4.13 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 89 A 8.86 4.14 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 90 F 8.17 4.21 0.00 2.91 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 91 P 0.00 3.93 0.00 2.13 2.11 0.00 3.71 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 1.91 1.82 0.00 92 K 7.83 3.93 0.00 1.89 1.87 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.54 7.81 93 V 7.94 3.68 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 0.96 0.00 0.00 1.04 0.00 0.00 94 I 7.58 3.86 1.85 0.00 0.00 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 1.50 0.46 0.80 0.00 0.00 95 I 7.67 3.46 1.91 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 1.20 0.63 1.04 0.00 0.00 96 Q 8.07 4.26 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.72 0.00 0.00 0.00 0.00 0.00 2.01 2.29 0.00 97 H 8.72 4.92 0.00 3.25 3.29 0.00 5.65 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.97 4.62 0.00 1.78 1.66 1.00 1.01 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 99 L 8.60 4.26 0.00 1.36 1.43 0.27 1.12 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 0.00 100 C 7.45 4.26 0.00 3.26 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 0.00 101 K 8.09 4.15 0.00 1.80 1.94 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.47 1.49 7.81 102 N 8.32 4.89 0.00 2.89 2.86 0.00 0.00 6.84 6.81 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 0.00 103 I 7.55 4.36 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.79 0.99 0.00 0.00 104 V 8.59 3.80 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 0.78 0.00 0.00 0.96 0.00 0.00 *130 P 0.00 4.22 0.00 2.18 2.24 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 131 T 8.55 4.71 4.45 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 0.00 0.00 0.00 1.33 0.00 0.00 132 E 9.17 4.80 0.00 1.84 1.68 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 2.16 2.22 0.00 133 I 8.28 4.81 1.85 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.80 0.71 0.00 0.00 134 N 9.00 5.41 0.00 2.87 2.65 0.00 0.00 6.42 8.19 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 0.00 135 I 8.91 4.97 1.97 0.00 0.00 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 1.43 0.73 1.07 0.00 0.00 136 I 8.53 4.77 1.83 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 0.91 0.72 0.78 0.00 0.00 137 L 8.77 4.74 0.00 1.61 1.69 1.21 0.80 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 0.00 138 D 9.18 4.63 0.00 3.19 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 0.00 139 A 8.84 4.08 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 0.00 140 E 8.28 4.37 0.00 2.24 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 0.00 2.40 2.38 0.00 141 K 7.55 4.14 0.00 1.96 2.14 0.00 1.81 0.00 0.00 1.80 0.00 0.00 3.17 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.58 1.53 7.81 142 N 7.67 4.58 0.00 2.77 2.32 0.00 0.00 6.81 8.01 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 0.00 143 F 8.05 5.71 0.00 3.17 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 0.00 144 C 8.98 5.13 0.00 2.72 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 0.00 0.00 0.00 145 S 9.04 4.96 0.00 3.92 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 0.00 146 F 9.47 4.89 0.00 3.19 3.08 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 0.00 147 E 8.80 4.75 0.00 1.82 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 2.09 2.13 0.00 148 L 7.49 4.73 0.00 0.78 0.52 0.82 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 149 F 9.15 5.09 0.00 2.99 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 0.00 150 S 9.40 4.80 0.00 3.81 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 0.00 151 K 8.41 4.56 0.00 1.87 1.71 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.23 7.81 152 T 8.54 4.64 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 0.00 153 P 0.00 4.41 0.00 2.06 2.16 0.00 3.62 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 2.03 2.07 0.00 154 I 7.62 4.54 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 1.36 0.68 0.91 0.00 0.00 155 S 7.63 4.65 0.00 4.05 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 0.00 156 K 8.77 3.89 0.00 1.99 2.02 0.00 1.85 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.44 7.81 157 G 8.18 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 0.00 158 K 8.19 3.30 0.00 1.48 1.59 0.00 1.52 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.09 0.54 7.81 159 I 8.33 4.24 1.62 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 1.25 0.68 1.09 0.00 0.00 160 F 6.80 4.62 0.00 2.69 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 0.00 161 S 8.30 5.26 0.00 3.83 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 0.00 162 I 8.93 4.55 1.92 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.84 0.84 0.00 0.00 163 K 8.82 4.65 0.00 1.77 1.75 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.49 1.45 7.81 164 L 9.38 5.08 0.00 1.68 1.77 1.00 0.83 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 0.00 165 H 8.89 5.65 0.00 3.16 3.75 0.00 5.28 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 0.00 166 A 8.50 3.41 1.02 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 0.00 167 V 8.80 3.57 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 0.73 0.00 0.00 0.85 0.00 0.00 168 R 7.48 3.91 0.00 1.81 1.94 0.00 3.24 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.36 0.00 * Residues marked with a * may have inaccurate shift predictions.