NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 M 4.1477 8.3049 120.3287 55.4544 33.2273 175.9154 6 C 4.3630 8.2076 119.8764 55.0597 39.2642 171.9373 7 Y 4.2272 8.9219 125.1214 56.2086 38.9976 173.5945 8 P 3.2675 0.0000 0.0000 64.1590 31.7591 176.4008 9 G 4.0530 8.7615 112.1193 45.0566 0.0000 174.0907 10 Q 4.2911 7.4739 113.8249 57.4555 30.7244 176.6294 11 A 4.2057 8.1631 121.2342 54.2762 18.8333 177.2705 12 F 5.0693 6.9732 108.7996 55.0366 41.0406 173.7350 13 Q 4.4089 8.8067 120.2449 56.2643 29.1596 175.3079 14 V 4.8688 8.0250 119.5592 60.0159 34.2600 173.4548 15 P 4.3827 0.0000 0.0000 62.5080 31.7684 175.9870 16 A 4.7964 8.5135 124.5173 52.9758 19.7378 177.2897 17 L 3.8438 8.6362 120.1719 55.3085 39.1156 173.9057 18 P 4.2313 0.0000 0.0000 65.3926 31.3174 179.0688 19 A 4.2410 8.5907 120.5398 54.1465 18.8181 178.1459 20 C 4.5875 8.0699 112.9250 58.3901 35.3501 176.1953 21 R 3.8856 7.6008 119.4412 58.6049 29.7761 177.0934 22 P 4.2933 0.0000 0.0000 65.4280 31.2693 178.3022 23 L 3.8806 7.3718 117.1403 58.0577 42.1182 178.5877 24 L 3.9090 8.0305 120.2725 58.3657 41.7259 179.2054 25 R 4.1017 7.8077 116.8034 59.1480 30.2633 178.7743 26 L 4.1510 7.8702 118.5266 58.0192 41.6938 179.6395 27 Q 4.0566 8.3236 118.3663 58.7846 28.4527 175.8380 28 C 4.6076 8.2518 113.7280 56.7149 41.8512 173.7569 29 N 4.8800 7.6734 118.0662 52.5244 37.3787 174.7506 30 G 3.8659 8.2537 104.7429 46.9883 0.0000 174.8679 31 S 4.3332 7.7365 115.2089 57.5980 63.4211 173.9132 32 Q 4.0597 8.4214 123.5117 56.0690 29.3263 175.5568 33 V 4.2991 8.1044 118.5587 58.8713 33.2908 174.6183 34 P 4.3563 0.0000 0.0000 62.8846 33.0827 177.3559 35 E 4.0127 8.7985 120.0540 59.3130 29.4422 179.6020 36 A 3.9834 7.9413 120.6619 55.2591 18.6209 179.8683 37 V 3.6760 7.6932 110.3730 63.9499 31.7897 178.3559 38 L 3.9160 7.7217 119.9324 58.2108 41.9735 178.9853 39 R 3.8831 8.2677 118.8905 59.6724 29.9683 178.1994 40 D 4.3972 8.0162 118.1467 57.0648 40.8637 177.9893 41 C 4.2382 8.0866 118.8719 59.9596 40.2872 175.0529 42 C 4.2151 8.2951 118.1578 59.8101 39.5077 175.6507 43 Q 3.8509 7.8557 120.3262 59.4423 28.6875 178.4248 44 Q 4.0600 7.7861 118.2715 58.9518 28.8984 178.7700 45 L 4.0328 8.0134 119.7027 57.8617 41.4589 179.3937 46 A 4.0667 8.2718 119.7814 55.5483 18.3010 178.9831 47 H 4.4817 7.7057 112.0928 57.2236 29.2997 176.1042 48 I 4.2545 7.0599 121.1888 60.1311 38.0485 176.0661 49 S 4.4512 8.5049 118.0044 58.0314 63.8283 174.8561 50 E 3.8515 9.0419 121.4147 59.8789 28.8191 179.8976 51 W 4.0233 8.2269 117.4548 58.6456 29.3889 176.8134 52 C 5.0637 8.3779 114.2301 56.4035 36.0040 175.9014 53 R 3.8275 7.9406 120.8737 59.6726 29.7531 179.3826 54 C 4.4631 8.2016 115.8243 59.7488 36.6041 176.2005 55 G 3.5812 8.1007 106.8763 47.6973 0.0000 175.4457 56 A 2.5800 7.7669 123.2422 54.4136 18.2245 179.7938 57 L 3.8627 7.7052 117.3758 57.7533 41.5686 179.0596 58 Y 3.7498 8.0411 119.5655 60.6495 38.7530 177.9183 59 S 4.2392 8.1030 114.0268 61.7052 62.5269 175.6916 60 M 3.9551 8.0129 120.6774 58.6727 31.9649 177.9376 61 L 3.7473 7.8484 120.4028 57.9867 42.1399 178.3201 62 D 4.6823 7.9658 119.6332 57.0066 41.2062 178.3901 63 S 4.1668 8.2914 115.7048 61.9418 62.7550 176.6272 64 M 3.9594 8.0535 121.2574 58.6889 31.4572 178.5245 65 Y 4.4935 7.7944 115.7914 60.8360 38.1902 177.9013 66 K 4.3130 8.3328 117.5235 57.6025 32.4747 178.2018 67 E 3.9955 8.0964 119.6603 57.7329 30.2227 175.8461 68 H 3.3622 7.7881 109.4477 56.3803 29.3865 173.3708 *78 G 3.7423 7.9341 108.2127 45.0925 0.0000 173.8792 79 A 3.7879 8.5138 122.2139 53.8038 18.4684 177.8164 80 F 4.5315 7.3451 114.2510 54.8003 40.1465 171.6555 81 P 4.4043 0.0000 0.0000 63.2732 31.6122 177.0359 82 R 4.0478 8.9466 120.9030 56.7904 27.2528 176.3591 83 C 5.1008 7.7335 114.4731 54.8894 43.7183 174.6071 84 R 4.3641 8.3423 122.3160 55.3653 31.8027 177.4860 85 R 3.9547 8.7704 123.4369 60.0280 30.0317 178.4966 86 E 3.9751 8.0958 117.3470 59.6447 29.5246 179.6382 87 V 3.7191 7.7015 111.7204 63.8271 31.6779 178.7006 88 V 3.3411 7.9282 118.9120 65.7186 31.3185 178.1340 89 K 3.9474 7.8760 117.8830 59.3849 32.4025 178.9362 90 L 3.9380 7.5278 120.6711 58.2731 42.4008 178.8106 91 T 3.9621 8.2340 115.8858 66.5987 67.9368 176.6839 92 A 3.9330 8.0528 122.4820 54.9671 18.2951 179.3903 93 A 4.1541 8.1689 119.1375 53.9576 18.3331 178.8189 94 S 4.7247 7.6626 110.5740 57.7247 63.8566 176.2283 95 I 3.7198 7.5376 124.0728 64.9409 36.5198 178.0774 96 T 3.9716 7.8708 113.5077 64.5798 67.2289 176.3211 97 A 4.0264 7.8315 122.4817 55.3532 18.3861 179.9499 98 V 3.5862 7.6906 109.3636 64.2787 31.6586 177.3665 99 C 4.4738 8.2164 114.0186 56.4114 40.7326 173.3784 100 R 3.6222 7.8282 118.9075 57.4460 27.8419 176.3624 101 L 4.9017 8.1664 117.4058 52.1958 43.4721 175.9862 102 P 4.2527 0.0000 0.0000 62.4755 32.3679 175.5837 103 I 4.6293 8.6195 114.6298 59.2252 41.2568 174.3287 104 V 4.2564 7.7179 116.8545 59.8021 31.9851 176.4324 105 V 3.6962 8.9593 127.5250 65.9249 31.9705 175.1289 106 D 4.4646 7.3273 117.7751 52.9984 41.2241 175.2445 107 A 4.5302 8.9087 120.6576 55.5844 18.6376 179.2855 108 S 4.1490 7.9843 110.1030 59.8421 62.9444 175.8249 109 G 3.8013 8.4931 107.9988 44.4069 0.0000 172.8751 110 D 4.2787 7.8054 120.1100 55.0079 41.5798 176.6575 111 G 4.1317 8.4852 110.1723 45.7285 0.0000 171.9339 112 A 4.4649 8.1147 121.1566 51.6720 23.2783 176.4872 113 Y 4.5647 8.6034 113.5753 57.6253 38.8519 176.4242 114 V 4.5442 7.4068 118.6583 59.4560 34.5043 176.2226 115 C 4.6913 9.0156 122.2231 55.2860 37.3331 174.8230 116 K 3.9152 8.3704 127.1526 59.5568 32.2035 178.7030 117 D 4.4221 8.0479 119.5801 56.4588 39.5330 178.2991 118 V 3.9217 7.9380 119.0275 65.6377 31.4585 177.7155 119 A 4.2467 8.0621 119.3214 54.1110 18.5942 178.3376 120 A 4.5141 7.6549 117.7482 50.8419 19.7830 175.9261 121 Y 4.3146 7.3898 120.1044 58.2899 39.1580 174.9619 122 P 3.4032 0.0000 0.0000 62.2493 30.9415 175.8607 123 D 4.4295 7.0867 118.1118 56.6056 41.6271 176.5529 124 A 4.1798 7.8053 128.2863 52.6939 18.4363 177.3596 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 5 M 8.30 4.15 0.00 1.17 1.81 0.00 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 6 C 8.21 4.36 0.00 3.18 3.26 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 7 Y 8.92 4.23 0.00 2.97 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 8 P 0.00 3.27 0.00 2.02 2.06 0.00 3.68 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.24 0.00 9 G 8.76 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 10 Q 7.47 4.29 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.04 0.00 0.00 0.00 0.00 0.00 2.21 2.46 0.00 11 A 8.16 4.21 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 12 F 6.97 5.07 0.00 3.23 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 13 Q 8.81 4.41 0.00 2.32 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.89 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 14 V 8.03 4.87 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 0.96 0.00 0.00 1.11 0.00 0.00 15 P 0.00 4.38 0.00 2.24 2.08 0.00 3.85 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 2.01 1.98 0.00 16 A 8.51 4.80 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 17 L 8.64 3.84 0.00 1.79 1.63 0.85 1.06 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 18 P 0.00 4.23 0.00 2.18 2.10 0.00 3.84 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 2.11 0.00 19 A 8.59 4.24 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 20 C 8.07 4.59 0.00 3.08 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 21 R 7.60 3.89 0.00 1.84 1.95 0.00 3.27 0.00 0.00 3.50 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.76 0.00 22 P 0.00 4.29 0.00 2.25 2.29 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.01 0.00 23 L 7.37 3.88 0.00 1.77 1.89 0.91 0.44 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 24 L 8.03 3.91 0.00 1.76 1.82 0.79 0.70 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 25 R 7.81 4.10 0.00 2.01 2.00 0.00 3.17 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.85 0.00 26 L 7.87 4.15 0.00 1.88 1.71 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.32 4.06 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 28 C 8.25 4.61 0.00 3.07 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 29 N 7.67 4.88 0.00 2.81 3.03 0.00 0.00 6.10 7.00 0.00 0.00 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 G 8.25 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 31 S 7.74 4.33 0.00 4.03 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 32 Q 8.42 4.06 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 33 V 8.10 4.30 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 0.82 0.00 0.00 0.92 0.00 0.00 34 P 0.00 4.36 0.00 2.15 1.98 0.00 3.59 0.00 0.00 3.95 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 35 E 8.80 4.01 0.00 1.97 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 2.39 2.32 0.00 36 A 7.94 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 37 V 7.69 3.68 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 0.95 0.00 0.00 0.92 0.00 0.00 38 L 7.72 3.92 0.00 1.73 1.83 0.91 1.20 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 39 R 8.27 3.88 0.00 1.97 2.11 0.00 3.30 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 40 D 8.02 4.40 0.00 2.73 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 41 C 8.09 4.24 0.00 3.21 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.30 4.22 0.00 3.14 3.11 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 43 Q 7.86 3.85 0.00 2.05 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 44 Q 7.79 4.06 0.00 2.36 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 45 L 8.01 4.03 0.00 1.82 1.71 0.90 0.87 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 46 A 8.27 4.07 1.39 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 0.00 0.00 0.00 47 H 7.71 4.48 0.00 3.34 3.38 0.00 5.67 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.06 4.25 2.04 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 1.52 0.58 1.05 0.00 0.00 49 S 8.50 4.45 0.00 4.15 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 50 E 9.04 3.85 0.00 1.96 1.80 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 2.47 2.40 0.00 51 W 8.23 4.02 0.00 3.33 3.35 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 52 C 8.38 5.06 0.00 3.10 3.34 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 0.00 53 R 7.94 3.83 0.00 1.87 1.95 0.00 3.46 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 1.71 1.78 0.00 54 C 8.20 4.46 0.00 2.96 3.42 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 55 G 8.10 3.58 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 0.00 0.00 0.00 56 A 7.77 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.71 3.86 0.00 1.86 1.67 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 8.04 3.75 0.00 3.23 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 59 S 8.10 4.24 0.00 4.23 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 60 M 8.01 3.96 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.51 0.00 61 L 7.85 3.75 0.00 1.56 1.25 0.48 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.97 4.68 0.00 2.93 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 63 S 8.29 4.17 0.00 4.05 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 64 M 8.05 3.96 0.00 1.75 2.19 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.49 0.00 65 Y 7.79 4.49 0.00 3.37 3.11 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 66 K 8.33 4.31 0.00 2.03 1.91 0.00 1.92 0.00 0.00 1.74 0.00 0.00 3.18 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.57 7.81 67 E 8.10 4.00 0.00 1.96 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 2.23 2.28 0.00 68 H 7.79 3.36 0.00 3.38 3.68 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *78 G 7.93 3.74 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 0.00 0.00 0.00 79 A 8.51 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 7.35 4.53 0.00 3.26 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 81 P 0.00 4.40 0.00 2.04 1.99 0.00 3.76 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 1.98 2.05 0.00 82 R 8.95 4.05 0.00 2.12 2.11 0.00 3.16 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 1.52 1.65 0.00 83 C 7.73 5.10 0.00 3.03 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 84 R 8.34 4.36 0.00 1.88 2.15 0.00 3.17 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 85 R 8.77 3.95 0.00 1.87 1.98 0.00 3.33 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.71 0.00 86 E 8.10 3.98 0.00 2.09 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 0.00 2.40 2.46 0.00 87 V 7.70 3.72 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 0.81 0.00 0.00 0.99 0.00 0.00 88 V 7.93 3.34 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 -0.14 0.00 0.00 0.67 0.00 0.00 89 K 7.88 3.95 0.00 2.24 2.08 0.00 1.43 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.71 1.45 7.81 90 L 7.53 3.94 0.00 1.85 1.71 0.92 1.12 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 91 T 8.23 3.96 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 1.16 0.00 0.00 92 A 8.05 3.93 1.16 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 93 A 8.17 4.15 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.66 4.72 0.00 4.00 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 95 I 7.54 3.72 1.84 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 1.37 0.98 0.89 0.00 0.00 96 T 7.87 3.97 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 1.27 0.00 0.00 97 A 7.83 4.03 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 98 V 7.69 3.59 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 0.84 0.00 0.00 0.98 0.00 0.00 99 C 8.22 4.47 0.00 3.12 3.14 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 0.00 100 R 7.83 3.62 0.00 1.95 1.91 0.00 3.17 0.00 0.00 3.12 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 101 L 8.17 4.90 0.00 1.69 1.62 0.96 1.20 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 0.00 102 P 0.00 4.25 0.00 1.75 1.36 0.00 3.71 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.85 0.00 103 I 8.62 4.63 1.74 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 1.15 0.79 0.84 0.00 0.00 104 V 7.72 4.26 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 -0.42 0.00 0.00 -0.60 0.00 0.00 105 V 8.96 3.70 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 0.70 0.00 0.00 0.86 0.00 0.00 106 D 7.33 4.46 0.00 2.92 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 0.00 107 A 8.91 4.53 1.39 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 0.00 0.00 0.00 108 S 7.98 4.15 0.00 4.01 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 0.00 109 G 8.49 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 0.00 110 D 7.81 4.28 0.00 2.57 2.56 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 0.00 111 G 8.49 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 0.00 112 A 8.11 4.46 1.15 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 0.00 0.00 113 Y 8.60 4.56 0.00 2.95 2.91 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 0.00 114 V 7.41 4.54 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 0.75 0.00 0.00 1.01 0.00 0.00 115 C 9.02 4.69 0.00 2.96 3.25 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 0.00 116 K 8.37 3.92 0.00 1.99 2.07 0.00 1.51 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.50 7.81 117 D 8.05 4.42 0.00 2.77 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 0.00 118 V 7.94 3.92 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 0.96 0.00 0.00 1.08 0.00 0.00 119 A 8.06 4.25 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 0.00 120 A 7.65 4.51 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 0.00 121 Y 7.39 4.31 0.00 3.00 2.87 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 0.00 122 P 0.00 3.40 0.00 1.72 0.83 0.00 3.36 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 123 D 7.09 4.43 0.00 2.87 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 0.00 124 A 7.81 4.18 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 * Residues marked with a * may have inaccurate shift predictions.