NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 P 4.6020 0.0000 0.0000 62.7036 33.3110 174.8018 13 I 4.6913 8.4870 123.6801 59.1302 40.4768 173.1306 14 I 4.7237 8.9701 127.2492 59.6671 40.8156 174.0695 15 Y 5.1497 8.5171 125.5704 57.5449 39.0529 174.8359 16 L 4.8296 9.3477 125.7974 53.3263 45.0621 175.1147 17 V 4.8162 8.8592 127.4431 61.5078 33.2771 173.8627 18 D 5.0423 8.8477 128.0739 53.3097 44.3809 175.8485 19 H 4.7868 9.1161 120.6212 56.9878 29.3351 175.7755 20 Q 4.1569 8.3032 121.1968 54.5634 29.1963 175.9425 21 K 3.8126 8.6794 126.9562 59.8639 32.1134 178.0763 22 D 4.3405 8.0880 118.0602 57.2520 40.8027 178.4649 23 A 3.9864 7.9157 120.6537 55.2700 18.4767 179.4606 24 R 3.8417 8.1020 116.3896 59.4682 30.1277 179.1684 25 A 3.9171 7.9229 119.6286 55.1425 18.3909 179.4390 26 A 3.9571 8.2124 119.5399 55.4697 18.4760 179.9268 27 L 4.0015 8.4669 117.8238 58.0320 41.6110 179.9506 28 S 4.1477 8.1363 115.2537 61.2271 62.5009 176.6687 29 K 3.8957 8.0130 121.5474 59.4991 32.1106 178.1877 30 L 4.0951 7.9027 119.2910 58.0188 42.3103 178.2847 31 L 4.3697 8.0799 117.7707 55.7158 41.7319 178.7012 32 S 4.1215 8.0108 114.5541 61.3087 62.6690 174.1405 33 P 4.3175 0.0000 0.0000 64.9126 31.3157 176.8199 34 L 4.2202 7.6407 116.9338 54.6269 42.5412 177.3222 35 D 4.7289 8.2764 121.3410 52.4311 39.2987 176.0810 36 V 4.6573 6.9737 117.4014 60.9557 34.8460 174.3811 37 T 4.6003 8.6894 112.7811 60.1028 71.1357 173.0434 38 I 4.7472 8.3390 126.3828 60.0434 38.6857 174.5883 39 Q 4.5924 8.7148 128.3696 54.5991 30.9825 174.2595 40 C 5.2460 8.4541 123.6638 58.5925 30.7092 173.1032 41 F 4.8873 9.0130 118.8647 56.0681 42.7458 175.6833 42 A 4.4997 9.2449 124.1117 52.6668 19.4855 176.7883 43 S 4.7973 7.6303 108.6447 56.9203 65.7139 175.5995 44 A 3.9768 8.7136 124.3369 55.4732 18.4092 178.6698 45 E 4.0579 8.4066 115.0157 59.5107 29.7799 177.9854 46 S 4.2726 7.9788 111.8605 61.3424 62.7462 175.8601 47 F 3.4019 8.1057 123.8059 57.6705 38.1077 176.6794 *49 R 4.1634 7.9523 118.7578 55.4339 32.0365 176.1093 50 Q 3.8467 7.4154 120.0820 55.2244 29.3756 175.0188 51 Q 3.9243 8.3606 126.6917 55.1848 29.1605 175.3424 52 I 3.7657 7.9930 127.2323 61.2522 37.3948 176.2398 53 S 4.4199 9.0341 120.8657 58.1267 62.8325 174.7437 54 D 4.5741 8.5930 124.1255 56.6180 40.9531 177.1260 55 D 4.5599 8.3775 118.2453 54.6271 41.4041 175.9082 56 A 4.5075 7.5816 122.6582 51.8831 18.4215 177.5211 57 I 4.2628 8.7275 115.5158 60.4678 39.1848 176.2016 58 G 3.9133 7.3580 108.3159 47.3748 0.0000 171.7772 *60 I 4.4231 7.8693 121.2615 61.3388 38.9007 174.9522 61 I 4.9313 8.3938 127.5323 59.1004 41.0059 174.5808 62 E 4.1491 8.9562 128.0559 56.0299 30.1811 177.5025 63 A 3.9475 8.7634 128.4853 53.8637 19.7261 176.8823 64 H 5.3257 9.0132 113.3654 53.9224 28.7776 173.5590 65 L 3.9882 7.9802 120.7308 56.3393 42.4663 178.0166 66 E 3.6312 8.9868 121.8564 57.5118 27.0489 175.7126 67 D 4.4262 7.6439 115.7225 54.6165 40.1875 174.7250 68 K 4.1606 7.8576 120.0749 54.9251 31.6420 176.2288 69 K 3.9489 8.6484 124.8316 58.3097 32.4113 175.9897 70 D 4.5629 9.5213 123.2771 54.9807 39.1598 175.4833 71 S 4.4625 8.1221 116.3007 61.4773 62.7146 176.7568 72 G 4.1312 8.1641 110.7438 46.9282 0.0000 175.9242 73 I 3.8565 7.5615 121.6521 63.9468 37.1656 177.7941 74 E 4.1931 8.5582 122.1629 58.5441 29.4658 178.5644 75 L 3.9175 7.7669 120.3111 58.0967 42.0906 178.6803 76 L 3.9493 7.7332 120.0070 58.2803 41.4967 178.6970 77 E 3.9734 8.5126 118.7958 59.8806 29.3096 179.5742 78 T 3.9570 8.1805 115.7965 66.5782 68.4995 176.8158 79 L 4.1575 8.1329 121.0121 57.8242 41.7915 179.6930 80 V 3.7077 8.1134 118.4557 65.8658 31.2290 178.0103 81 K 4.1141 8.0289 118.4744 58.8108 32.0376 177.9768 82 R 4.4453 7.5432 116.5661 55.6503 30.1617 177.2803 83 G 3.7757 7.6420 106.0667 45.6106 0.0000 173.8599 84 F 4.4508 7.9059 119.1811 56.9285 39.2757 175.6380 85 H 4.8374 8.7506 122.9474 53.3618 29.2851 171.3132 86 L 4.7528 8.1197 122.2169 51.3504 44.1893 174.7821 87 P 4.1995 0.0000 0.0000 63.9522 31.4581 174.7887 88 T 4.5764 8.5210 119.2538 61.5705 71.7630 172.9784 89 I 4.6507 8.2638 127.0680 60.0466 39.0326 175.7719 90 V 4.9454 8.5540 127.9134 60.7811 34.1903 174.1538 *92 A 4.3431 8.2242 121.8229 51.9296 19.8365 176.2515 93 S 5.0586 8.6335 115.3959 56.9375 65.5636 173.8391 94 S 3.7022 8.4920 114.8534 59.7867 60.4465 171.7010 95 S 4.9058 7.9146 112.3225 56.5966 65.8353 173.5688 96 D 4.8890 8.1331 121.2311 51.5434 42.8535 177.3107 97 I 3.6261 8.1089 119.5280 64.3562 36.9622 176.5202 98 P 4.2453 0.0000 0.0000 66.1930 31.0957 178.7425 99 T 3.8212 8.2514 113.9573 66.4382 68.1529 176.6344 100 A 2.5800 7.0661 121.5145 54.6737 18.4044 179.4385 101 V 3.5520 7.7319 115.7757 66.1685 31.8315 177.8710 102 R 4.0343 8.2934 118.5610 59.0626 29.8479 178.5253 103 A 3.9723 7.7602 119.0822 52.6606 18.2855 179.3631 *105 R 4.1423 8.0744 122.0281 57.9365 32.0831 177.2940 106 A 4.3698 7.8667 117.8695 52.3054 17.9400 177.6171 107 S 3.9614 7.9661 110.0105 59.4367 61.8954 170.4845 108 A 4.1434 7.7878 122.9735 52.9426 18.5327 178.6568 109 A 4.2346 8.8559 124.3148 55.0786 19.2298 176.9867 110 D 4.5932 7.6781 112.5081 53.6515 45.0715 174.1652 111 F 5.2360 8.7806 123.3831 56.4771 41.9044 173.6732 112 I 4.4577 8.0762 127.6724 59.3440 38.9664 175.5647 113 E 4.3675 8.8547 126.8796 56.1371 30.2931 176.2723 114 K 5.0555 8.8716 123.1066 53.5620 35.3322 174.3081 115 P 4.4118 0.0000 0.0000 62.9517 31.7620 175.5282 116 F 4.9663 8.2391 114.9005 54.8452 40.7281 174.7927 117 I 3.9211 8.1542 122.6130 60.5217 37.8548 176.0508 118 E 4.0055 8.9382 127.0069 60.0614 29.3914 178.8458 119 H 4.3316 8.1888 113.9794 58.2580 28.5673 177.5070 120 V 3.5622 7.6101 121.4987 65.9331 31.4149 177.7493 121 L 3.8996 7.9585 119.5721 58.0621 41.9791 178.7751 122 V 3.6038 7.9404 118.2441 66.3937 31.4919 177.5097 123 H 4.1706 8.7776 118.2771 59.1732 29.6953 176.9349 124 D 4.3419 8.0781 120.6714 57.4146 40.7101 179.0096 125 V 3.5471 7.8596 118.6298 66.0141 31.5623 177.6852 126 Q 3.9373 8.4038 119.7589 59.2560 28.8065 178.2086 127 Q 3.9064 8.1105 120.4973 59.2342 28.8622 178.3626 128 I 3.7242 7.2660 119.2516 64.3402 37.2791 178.1761 129 I 3.8433 7.8498 120.6357 64.5754 36.4465 178.3355 130 N 4.4790 8.3677 117.4581 55.9905 38.1950 177.0588 131 G 3.8431 8.0642 104.1947 45.6399 0.0000 174.3753 132 A 4.5751 7.5016 121.9995 51.7380 19.7551 177.0531 133 K 4.1309 7.5591 120.6341 56.7362 32.7496 176.0063 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 4.60 0.00 2.10 2.23 0.00 3.60 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 2.01 2.02 0.00 13 I 8.49 4.69 1.62 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.03 0.61 0.00 0.00 14 I 8.97 4.72 1.81 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 1.16 1.03 0.92 0.00 0.00 15 Y 8.52 5.15 0.00 2.83 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 16 L 9.35 4.83 0.00 1.72 1.53 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.86 4.82 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 0.87 0.00 0.00 0.52 0.00 0.00 18 D 8.85 5.04 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 9.12 4.79 0.00 3.34 3.43 0.00 5.18 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 20 Q 8.30 4.16 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.77 0.00 0.00 0.00 0.00 0.00 1.91 2.38 0.00 21 K 8.68 3.81 0.00 1.81 1.82 0.00 1.72 0.00 0.00 1.81 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 8.09 4.34 0.00 2.80 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 3.99 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 24 R 8.10 3.84 0.00 2.02 1.99 0.00 3.12 0.00 0.00 3.51 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 25 A 7.92 3.92 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 8.21 3.96 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 27 L 8.47 4.00 0.00 1.69 1.70 0.82 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.14 4.15 0.00 4.01 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 29 K 8.01 3.90 0.00 1.82 2.03 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 30 L 7.90 4.10 0.00 1.75 2.00 0.97 1.27 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 8.08 4.37 0.00 1.79 1.68 0.89 0.63 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 32 S 8.01 4.12 0.00 4.01 4.19 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 33 P 0.00 4.32 0.00 2.07 2.17 0.00 3.83 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 2.04 2.12 0.00 34 L 7.64 4.22 0.00 1.81 1.60 0.93 0.91 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 35 D 8.28 4.73 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 6.97 4.66 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 0.61 0.00 0.00 0.90 0.00 0.00 37 T 8.69 4.60 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 1.20 0.00 0.00 38 I 8.34 4.75 1.86 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 0.85 0.91 0.00 0.00 39 Q 8.71 4.59 0.00 2.27 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.74 0.00 0.00 0.00 0.00 0.00 2.06 2.29 0.00 40 C 8.45 5.25 0.00 2.77 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 41 F 9.01 4.89 0.00 2.96 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 42 A 9.24 4.50 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 7.63 4.80 0.00 4.01 3.98 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 44 A 8.71 3.98 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 45 E 8.41 4.06 0.00 1.94 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 2.29 2.31 0.00 46 S 7.98 4.27 0.00 3.98 4.19 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 47 F 8.11 3.40 0.00 2.68 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 *49 R 7.95 4.16 0.00 1.98 1.95 0.00 3.24 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.71 0.00 50 Q 7.42 3.85 0.00 1.57 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.91 0.00 0.00 0.00 0.00 0.00 1.87 1.90 0.00 51 Q 8.36 3.92 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 52 I 7.99 3.77 1.77 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.12 1.10 0.00 0.00 53 S 9.03 4.42 0.00 3.98 3.88 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 54 D 8.59 4.57 0.00 2.74 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 8.38 4.56 0.00 2.70 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 56 A 7.58 4.51 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 57 I 8.73 4.26 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 1.24 0.72 0.93 0.00 0.00 58 G 7.36 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 7.87 4.42 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 0.55 0.79 0.00 0.00 61 I 8.39 4.93 1.80 0.00 0.00 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 0.91 1.40 0.89 0.00 0.00 62 E 8.96 4.15 0.00 2.07 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 2.46 0.00 63 A 8.76 3.95 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 64 H 9.01 5.33 0.00 3.22 3.20 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 3.99 0.00 1.72 1.60 0.91 0.98 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 66 E 8.99 3.63 0.00 2.03 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 2.22 2.28 0.00 67 D 7.64 4.43 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 68 K 7.86 4.16 0.00 1.94 1.77 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.56 7.81 69 K 8.65 3.95 0.00 1.69 1.78 0.00 1.91 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.46 7.81 70 D 9.52 4.56 0.00 2.94 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 71 S 8.12 4.46 0.00 4.07 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 0.00 72 G 8.16 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 73 I 7.56 3.86 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.73 0.93 0.00 0.00 74 E 8.56 4.19 0.00 1.99 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 2.31 2.19 0.00 75 L 7.77 3.92 0.00 1.81 1.87 0.98 0.41 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 76 L 7.73 3.95 0.00 1.82 1.85 0.93 1.01 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 77 E 8.51 3.97 0.00 2.21 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 2.63 0.00 78 T 8.18 3.96 4.43 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 1.24 0.00 0.00 79 L 8.13 4.16 0.00 1.91 1.83 0.95 0.58 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 80 V 8.11 3.71 2.26 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 1.04 0.00 0.00 1.04 0.00 0.00 81 K 8.03 4.11 0.00 1.97 1.98 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.49 7.81 82 R 7.54 4.45 0.00 2.32 2.16 0.00 3.43 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.99 0.00 83 G 7.64 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 0.00 0.00 0.00 84 F 7.91 4.45 0.00 3.27 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 8.75 4.84 0.00 3.11 3.26 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.12 4.75 0.00 1.67 1.61 1.08 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.20 0.00 2.21 2.24 0.00 3.74 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 2.21 2.02 0.00 88 T 8.52 4.58 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 1.18 0.00 0.00 89 I 8.26 4.65 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 0.62 0.80 0.00 0.00 90 V 8.55 4.95 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 1.38 0.00 0.00 0.98 0.00 0.00 *92 A 8.22 4.34 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 93 S 8.63 5.06 0.00 3.90 3.81 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 94 S 8.49 3.70 0.00 3.97 3.88 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 95 S 7.91 4.91 0.00 4.21 4.06 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 96 D 8.13 4.89 0.00 2.95 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 97 I 8.11 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 1.63 0.74 0.86 0.00 0.00 98 P 0.00 4.25 0.00 2.24 2.10 0.00 3.75 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 2.11 2.18 0.00 99 T 8.25 3.82 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 1.39 0.00 0.00 100 A 7.07 2.58 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 7.73 3.55 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 0.78 0.00 0.00 0.90 0.00 0.00 102 R 8.29 4.03 0.00 1.97 2.03 0.00 3.15 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 103 A 7.76 3.97 1.46 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 *105 R 8.07 4.14 0.00 2.06 2.03 0.00 3.12 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 106 A 7.87 4.37 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 0.00 107 S 7.97 3.96 0.00 4.17 4.14 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 0.00 0.00 0.00 0.00 108 A 7.79 4.14 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 0.00 109 A 8.86 4.23 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 0.00 110 D 7.68 4.59 0.00 2.79 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 0.00 111 F 8.78 5.24 0.00 2.99 2.90 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 0.00 112 I 8.08 4.46 1.62 0.00 0.00 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 1.18 0.68 0.84 0.00 0.00 113 E 8.85 4.37 0.00 1.90 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 2.47 2.49 0.00 114 K 8.87 5.06 0.00 1.67 1.79 0.00 1.72 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.27 7.81 115 P 0.00 4.41 0.00 2.12 2.04 0.00 3.74 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 1.99 1.96 0.00 116 F 8.24 4.97 0.00 3.13 3.12 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 0.00 117 I 8.15 3.92 1.78 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 1.28 0.50 0.76 0.00 0.00 118 E 8.94 4.01 0.00 1.92 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 2.44 2.47 0.00 119 H 8.19 4.33 0.00 3.41 3.58 0.00 5.52 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 7.61 3.56 2.31 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 1.01 0.00 0.00 0.90 0.00 0.00 121 L 7.96 3.90 0.00 1.63 1.87 0.73 0.58 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 0.00 122 V 7.94 3.60 2.15 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 1.05 0.00 0.00 1.02 0.00 0.00 123 H 8.78 4.17 0.00 3.28 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.08 4.34 0.00 3.03 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 0.00 125 V 7.86 3.55 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 0.97 0.00 0.00 0.95 0.00 0.00 126 Q 8.40 3.94 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 127 Q 8.11 3.91 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 128 I 7.27 3.72 2.00 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 0.83 0.91 0.00 0.00 129 I 7.85 3.84 2.15 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 1.07 0.90 0.00 0.00 130 N 8.37 4.48 0.00 2.73 2.85 0.00 0.00 6.97 7.47 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 0.00 131 G 8.06 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 132 A 7.50 4.58 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 0.00 133 K 7.56 4.13 0.00 1.86 1.74 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.59 1.33 7.81 * Residues marked with a * may have inaccurate shift predictions.