NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -6 E 4.2260 8.4444 121.4783 55.8396 31.4914 176.3805 -5 N 4.7181 7.8088 123.8433 50.8158 38.2396 173.2911 -4 L 4.1169 8.5520 125.6954 57.3549 43.3314 178.7445 -3 Y 4.4851 8.4186 118.9913 59.7705 39.1682 177.8018 -2 F 4.5414 8.3157 116.7195 58.1806 39.7684 176.9332 -1 Q 5.0144 7.7518 116.0285 54.5283 29.8399 176.3874 0 G 3.8290 7.8284 107.7413 45.4447 0.0000 171.6622 -4 K 4.0969 8.6820 124.2954 58.4549 34.0314 177.7445 -3 K 4.2551 8.5886 119.0913 58.0705 34.4682 178.5018 -2 V 4.0414 8.0457 115.6195 62.6806 33.0684 177.4332 -1 F 5.2944 7.7318 116.5285 56.5283 40.0399 176.1874 0 I 4.0390 7.4984 118.8413 61.4447 38.6881 173.1622 7 T 4.8030 8.9523 124.2248 61.8578 71.2953 173.5946 8 T 4.9509 9.7316 115.8553 59.4116 71.9416 174.7216 9 G 3.8562 7.3859 108.5171 45.3177 0.0000 172.2288 10 T 4.2179 7.6951 109.8328 61.2568 70.8434 174.7730 11 E 3.9582 8.6735 122.4716 59.6863 29.7410 178.5016 12 H 4.1145 8.2443 117.7489 59.4491 29.9394 176.2946 13 Y 4.1053 8.1010 121.1837 60.9414 38.4400 178.2448 14 L 4.0099 7.9935 118.3249 57.7581 41.7404 179.4452 15 R 4.0584 8.0695 117.7411 58.9703 29.9986 178.8196 16 Q 4.0427 7.5706 117.4197 58.5982 28.9816 179.2336 17 L 3.7384 7.5566 118.3548 55.7557 41.8441 178.2319 *19 A 4.2835 7.9650 120.8442 51.4333 20.2715 178.1857 20 N 4.4630 8.0940 113.9868 54.8732 39.0386 174.8800 *21 Y 4.6375 7.1581 115.8443 55.5482 39.9410 179.6841 22 T 4.3620 8.3616 108.3454 63.7545 69.8948 175.0626 23 G 3.8031 9.1662 115.4272 46.5200 0.0000 174.7448 24 G 3.8051 8.7233 109.0774 46.1486 0.0000 173.5371 25 N 4.3727 8.4563 113.3318 53.4119 36.2651 174.6300 26 V 3.9984 7.4453 117.2516 63.9396 32.2289 175.3354 27 T 4.7447 9.2552 124.5775 61.7152 72.2098 172.7325 28 L 4.8467 8.6777 128.6606 54.3452 43.1967 175.5422 29 L 5.0455 9.1199 125.1216 53.4079 46.3483 175.3163 30 Q 5.3204 9.2412 118.8934 55.2494 33.8776 174.0809 31 N 4.7135 8.6914 117.2254 51.6587 40.3372 173.4759 32 F 4.0443 9.1077 119.1027 62.0507 39.1053 177.0836 33 S 4.3781 8.0490 115.0940 60.4203 63.3485 173.8109 34 Q 4.6770 8.9979 119.2696 54.4620 32.4587 174.0698 35 S 5.4012 8.0455 115.0816 57.1838 66.1241 173.1899 36 L 4.7423 8.8005 122.5434 53.7608 46.0014 173.8470 37 L 5.1649 9.3928 127.8252 53.4637 44.5978 174.0668 38 Y 5.2792 9.1455 128.0102 55.9811 41.0366 174.0593 39 Q 4.8218 8.2014 126.5272 54.4834 32.4079 173.3952 40 E 5.3334 9.1140 125.7404 55.0786 32.1028 175.1361 41 S 4.5996 8.4169 116.4670 57.9352 66.3962 173.1454 42 T 4.4992 8.3907 116.3666 62.5606 70.9609 172.9223 43 G 3.6618 8.7991 110.7465 44.1657 0.0000 172.9017 44 E 4.3439 8.3821 118.6466 54.9204 30.5039 176.4969 45 K 4.3056 8.4064 121.2470 56.7129 32.3677 174.4046 46 L 4.1718 8.7633 121.9958 54.0656 44.5980 176.6851 47 F 4.9362 7.3131 118.8765 57.1708 40.8418 175.7506 48 Q 3.7796 7.7194 120.3372 56.2910 28.6260 176.6716 49 E 4.2094 8.4724 122.2608 55.9992 30.6260 176.5175 50 G 4.3042 8.7052 105.3419 44.9150 0.0000 172.5992 51 A 4.2736 8.2576 120.5202 51.4113 19.2471 176.5374 52 E 4.3460 8.3534 123.2485 54.6720 31.2969 174.7089 53 Y 4.7418 7.7647 122.8445 56.0841 42.0358 174.6419 54 R 4.3089 8.9128 124.6310 55.5145 31.6928 175.3903 55 V 4.0218 8.3349 126.8581 63.0362 31.4569 175.2338 56 L 4.4785 9.0410 129.1177 56.8138 42.8079 177.5117 57 Q 4.7475 7.8031 115.7616 54.5125 33.3661 174.0361 58 S 5.3383 8.6592 116.3945 56.9305 66.0402 172.8430 59 S 4.5700 8.7826 119.0701 57.7759 66.8881 175.6152 60 G 4.1866 9.0870 109.3990 44.7877 0.0000 172.7669 61 S 4.5048 7.8704 111.0708 56.2177 65.9473 173.5386 62 L 3.7174 8.0207 121.9233 54.7982 41.7602 177.4830 63 K 4.0753 8.2662 122.0364 56.4467 32.7905 177.8332 64 G 3.8613 9.6722 106.3421 44.9702 0.0000 172.4775 65 F 3.8791 6.7305 112.0448 55.3430 41.5504 173.4322 66 G 4.2301 9.0857 104.7440 44.3354 0.0000 172.9800 67 V 5.1095 8.9165 114.7811 59.5582 36.2264 175.0271 68 V 4.4214 8.9983 122.4090 61.0358 34.5527 174.2450 69 V 4.6981 8.2971 127.9135 61.0397 34.0093 174.1388 70 F 4.8167 9.4046 126.6471 55.8366 41.6151 174.1093 71 E 4.9901 9.0841 125.0531 54.9041 31.6227 174.7610 72 Y 5.1898 9.0805 123.9763 56.4174 40.0565 175.2136 73 I 5.2882 9.2922 117.1096 58.3118 41.8800 173.5997 74 H 5.6576 9.5360 117.9738 53.9298 31.1741 172.9389 75 L 5.0433 8.7324 119.5255 52.9612 45.4237 176.9838 76 R 4.2515 9.7125 121.6820 55.8751 31.1964 177.4072 77 D 4.5004 9.0567 120.9101 58.1868 40.5994 179.5711 78 E 4.0455 8.2266 116.4304 59.1267 29.7283 178.4705 79 E 4.3111 8.2064 117.7954 57.8422 29.7073 178.7458 80 I 3.6228 7.5041 120.5428 63.9544 37.2512 176.3475 81 P 4.1805 0.0000 0.0000 65.7473 30.9638 178.7675 82 I 3.7255 7.6405 116.9023 64.2998 37.1709 177.7810 83 F 4.1623 8.1561 120.4686 61.1236 39.4361 176.9140 84 L 4.1761 8.2283 118.8079 57.7572 41.3889 179.6575 85 Q 4.2294 7.8636 115.4839 57.2739 28.5851 176.8068 *87 Y 4.2244 7.7837 121.3199 57.1452 40.5497 176.8412 88 Q 4.0585 8.3087 119.3171 59.1788 29.2108 178.1765 89 R 3.9331 8.0702 118.8888 59.2726 30.1511 178.9440 90 A 3.9210 7.6998 120.2025 54.9800 18.3975 179.6014 91 S 2.0000 7.2690 112.4541 60.1606 62.6702 176.3987 92 L 3.9633 7.0934 121.6140 56.6522 41.5144 177.2278 93 H 4.8753 7.5635 114.8964 55.3054 29.7890 175.9419 94 F 4.6757 8.2882 120.7870 60.0892 38.7668 177.5160 95 S 4.2999 8.1123 113.2353 60.1247 63.0172 174.3594 96 E 4.3844 7.9727 119.4987 56.5665 30.1002 175.9451 97 T 4.4283 7.7929 118.0912 61.7402 68.6225 172.6546 98 P 4.2906 0.0000 0.0000 63.8806 31.9871 177.3715 99 G 3.3297 8.5463 109.9403 44.7346 0.0000 172.6318 100 L 3.5576 7.3376 121.7856 54.4621 42.1880 176.0447 101 Q 4.0966 8.6725 126.3388 58.1877 30.1763 175.9582 102 S 4.6721 7.0602 110.4212 57.5089 65.9062 173.8285 103 T 5.0833 8.4265 114.2655 59.8839 72.5773 172.7847 104 K 5.0909 9.2628 122.3870 54.7550 36.2342 174.8150 105 L 4.8517 9.1235 128.4991 53.8592 43.4769 175.3436 106 T 5.2252 8.8774 115.8275 59.7634 73.0761 172.5023 107 K 4.5722 8.8977 123.0577 55.1679 35.2142 174.6706 108 A 3.8597 9.0113 129.8313 52.1783 18.8814 178.8623 *110 N 4.3600 9.0411 114.0731 53.3717 40.6975 174.1190 *112 N 4.6264 7.7367 109.7646 53.5440 40.3640 175.2402 113 K 5.1546 7.7136 117.1666 54.6824 35.5221 176.1452 114 F 5.2697 9.7671 122.7907 55.5240 43.2176 174.0679 115 L 4.7864 9.0006 123.4558 53.4713 44.9836 175.0531 116 I 4.8078 8.6383 128.3595 59.8658 39.2822 174.7661 117 I 4.5627 8.6951 128.9059 59.1704 39.8324 174.9146 118 S 4.7043 8.2880 121.0094 56.3232 66.4362 172.7336 119 F 4.8754 8.7194 122.4853 55.4683 41.0193 174.7408 120 W 5.2050 9.0584 123.4550 54.6745 32.4917 176.3416 121 D 4.6734 9.3176 123.4746 57.7281 41.2026 176.5755 122 S 4.7480 8.1867 110.3044 56.3271 65.4024 175.8041 123 E 4.0345 8.6458 120.7024 59.0101 29.1281 178.6136 124 V 3.4961 7.4383 117.5327 66.1437 31.4979 178.0592 125 F 4.2180 7.8368 116.8617 60.3234 38.4977 177.5682 126 F 2.5106 7.6668 119.0911 60.8914 39.6139 175.9911 127 H 3.8387 8.3381 118.2785 59.4713 29.5588 176.8032 128 D 4.2569 8.1917 120.6108 57.1112 40.6564 178.6044 129 W 4.2797 8.0096 128.4548 59.8711 30.4634 177.7453 130 K 4.1355 7.1073 118.2607 57.7028 31.4446 178.2612 131 K 4.0515 7.4991 117.8658 56.5904 32.7379 177.1343 132 T 4.1662 6.7379 110.6309 60.0575 70.1241 173.9031 133 P 4.1366 0.0000 0.0000 65.8327 31.2539 178.6585 134 L 3.9523 7.7779 118.3843 58.2523 42.1080 178.7869 135 S 3.6551 7.1195 112.5269 61.1592 62.0390 176.3083 136 K 3.9846 7.9924 123.6187 59.8827 31.6366 179.9109 137 E 4.0109 8.4096 118.8409 61.1646 29.4809 181.5468 138 I 4.0367 7.8098 120.0205 64.5352 37.2941 178.2522 139 T 4.0597 7.9700 115.5418 66.9338 68.6058 176.0072 140 N 4.5508 8.4099 118.3349 56.1883 38.4591 178.0697 141 I 3.9391 7.8892 118.9277 61.6763 36.9854 178.0238 *143 K 4.2073 8.0231 121.5886 56.8477 34.5051 177.8249 144 K 4.0112 8.2680 120.2398 59.1908 32.1346 178.1957 145 N 4.1969 8.6419 117.1557 56.8139 38.3513 176.9823 146 N 4.6251 7.6015 113.9793 55.6350 38.7356 177.2301 147 T 4.1622 7.8182 113.3560 64.9411 69.4693 176.0850 148 Q 4.5809 8.1995 125.9830 55.6996 26.6609 181.0299 *149 S 4.6098 8.6562 116.8881 58.5877 64.3641 172.6675 150 G 3.9717 8.5949 106.3539 46.6023 0.0000 172.8482 151 F 4.8142 8.5196 121.8990 57.0688 40.6839 174.4653 152 S 4.9051 8.7869 125.5688 57.9372 64.7278 173.2580 153 H 4.4271 8.3003 117.0181 55.0760 32.2521 171.9001 154 E 5.2842 8.9626 119.6954 54.5912 31.7734 174.4288 155 D 5.2031 9.4907 126.7032 52.5819 44.2882 174.9688 156 I 5.0216 8.3261 122.8585 59.8467 39.7482 174.4177 157 Y 5.0335 9.5004 123.8712 56.4115 42.5537 173.7278 158 H 5.6439 9.1360 115.8803 53.8984 32.7277 172.1586 159 Y 4.6760 8.5996 115.9961 56.9477 38.3455 174.5633 160 P 4.6073 0.0000 0.0000 62.6735 32.3683 176.4988 161 E 4.1660 8.6070 115.1856 55.7810 30.1304 176.7343 162 F 4.3469 8.9483 124.2689 57.8037 39.4154 174.7152 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 -6 E 8.44 4.23 0.00 2.23 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 0.00 2.19 1.88 0.00 -5 N 7.81 4.72 0.00 2.88 2.94 0.00 0.00 7.32 5.79 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 -4 L 8.55 4.12 0.00 1.81 1.76 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 8.42 4.49 0.00 2.95 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 -2 F 8.32 4.54 0.00 3.30 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 -1 Q 7.75 5.01 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 0 G 7.83 3.83 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 0.00 0.00 0.00 -4 K 8.68 4.10 0.00 2.03 1.89 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.44 7.81 -3 K 8.59 4.26 0.00 1.76 1.64 0.00 0.61 0.00 0.00 1.78 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.49 7.81 -2 V 8.05 4.04 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 1.30 0.00 0.00 0.93 0.00 0.00 -1 F 7.73 5.29 0.00 3.22 3.21 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 I 7.50 4.04 1.87 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 1.30 0.72 0.91 0.00 0.00 7 T 8.95 4.80 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 1.32 0.00 0.00 8 T 9.73 4.95 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 1.18 0.00 0.00 9 G 7.39 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 10 T 7.70 4.22 4.30 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 1.23 0.00 0.00 11 E 8.67 3.96 0.00 2.09 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 2.41 2.40 0.00 12 H 8.24 4.11 0.00 3.24 3.34 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.10 4.11 0.00 3.15 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 14 L 7.99 4.01 0.00 1.72 1.75 1.04 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.07 4.06 0.00 1.86 1.95 0.00 3.17 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 16 Q 7.57 4.04 0.00 1.90 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.54 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 17 L 7.56 3.74 0.00 1.34 1.64 0.92 1.39 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 *19 A 7.96 4.28 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 20 N 8.09 4.46 0.00 2.84 2.82 0.00 0.00 6.70 6.99 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 *21 Y 7.16 4.64 0.00 2.30 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 0.00 0.00 0.00 0.00 22 T 8.36 4.36 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 23 G 9.17 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 24 G 8.72 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 0.00 0.00 0.00 25 N 8.46 4.37 0.00 2.95 3.04 0.00 0.00 7.04 7.68 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 26 V 7.45 4.00 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 0.77 0.00 0.00 0.98 0.00 0.00 27 T 9.26 4.74 4.42 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 1.10 0.00 0.00 28 L 8.68 4.85 0.00 1.66 1.59 1.00 0.98 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 29 L 9.12 5.05 0.00 1.30 1.44 0.83 0.21 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 30 Q 9.24 5.32 0.00 1.90 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.48 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 31 N 8.69 4.71 0.00 2.63 2.54 0.00 0.00 6.85 6.97 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 32 F 9.11 4.04 0.00 3.05 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 33 S 8.05 4.38 0.00 4.05 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 34 Q 9.00 4.68 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.69 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 35 S 8.05 5.40 0.00 4.07 3.77 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 36 L 8.80 4.74 0.00 1.31 0.87 -0.25 0.61 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 37 L 9.39 5.16 0.00 1.78 1.53 1.00 0.96 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 38 Y 9.15 5.28 0.00 3.12 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 39 Q 8.20 4.82 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.50 0.00 0.00 0.00 0.00 0.00 2.23 2.47 0.00 40 E 9.11 5.33 0.00 1.98 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 2.20 1.98 0.00 41 S 8.42 4.60 0.00 3.86 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 42 T 8.39 4.50 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 43 G 8.80 3.66 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 0.00 0.00 0.00 44 E 8.38 4.34 0.00 1.95 1.88 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 2.30 2.22 0.00 45 K 8.41 4.31 0.00 2.07 1.74 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.53 7.81 46 L 8.76 4.17 0.00 1.05 0.20 0.73 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.31 4.94 0.00 2.98 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 48 Q 7.72 3.78 0.00 1.06 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 7.05 0.00 0.00 0.00 0.00 0.00 1.16 1.96 0.00 49 E 8.47 4.21 0.00 2.04 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 2.38 2.35 0.00 50 G 8.71 4.30 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 0.00 0.00 0.00 51 A 8.26 4.27 1.34 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 0.00 0.00 52 E 8.35 4.35 0.00 1.85 1.58 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 1.76 1.47 0.00 53 Y 7.76 4.74 0.00 2.69 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 54 R 8.91 4.31 0.00 1.71 1.62 0.00 3.02 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 55 V 8.33 4.02 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 56 L 9.04 4.48 0.00 1.69 1.78 1.18 0.63 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 57 Q 7.80 4.75 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 58 S 8.66 5.34 0.00 3.85 3.69 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 59 S 8.78 4.57 0.00 3.95 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 60 G 9.09 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 0.00 0.00 0.00 61 S 7.87 4.50 0.00 3.82 3.70 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 62 L 8.02 3.72 0.00 1.40 1.42 -0.06 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.27 4.08 0.00 1.27 1.57 0.00 1.51 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.19 1.38 7.81 64 G 9.67 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 65 F 6.73 3.88 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 66 G 9.09 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 0.00 0.00 0.00 0.00 67 V 8.92 5.11 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 0.89 0.00 0.00 1.05 0.00 0.00 68 V 9.00 4.42 1.93 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 -0.58 0.00 0.00 0.73 0.00 0.00 69 V 8.30 4.70 1.74 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 0.69 0.00 0.00 -0.03 0.00 0.00 70 F 9.40 4.82 0.00 3.06 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 71 E 9.08 4.99 0.00 1.93 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 2.46 2.35 0.00 72 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.81 0.81 0.00 0.00 81 P 0.00 4.18 0.00 2.14 2.07 0.00 3.59 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 82 I 7.64 3.73 1.91 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 1.53 0.75 0.93 0.00 0.00 83 F 8.16 4.16 0.00 3.03 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 84 L 8.23 4.18 0.00 1.87 1.73 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 7.86 4.23 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.39 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 *87 Y 7.78 4.22 0.00 2.53 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 88 Q 8.31 4.06 0.00 2.46 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 89 R 8.07 3.93 0.00 1.77 1.89 0.00 3.29 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 90 A 7.70 3.92 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 91 S 7.27 2.00 0.00 3.40 3.41 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 92 L 7.09 3.96 0.00 1.32 1.51 0.81 1.09 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 93 H 7.56 4.88 0.00 3.29 3.44 0.00 5.62 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 F 8.29 4.68 0.00 3.04 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 95 S 8.11 4.30 0.00 3.97 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 96 E 7.97 4.38 0.00 2.22 2.09 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 2.32 2.31 0.00 97 T 7.79 4.43 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 1.59 0.00 0.00 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0.00 0.00 0.00 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 0.00 107 K 8.90 4.57 0.00 1.57 1.35 0.00 0.81 0.00 0.00 0.97 0.00 0.00 2.62 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.80 0.21 7.81 108 A 9.01 3.86 0.95 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 0.00 0.00 *110 N 9.04 4.36 0.00 2.70 2.87 0.00 0.00 6.79 8.00 0.00 0.00 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 N 7.74 4.63 0.00 2.82 3.24 0.00 0.00 6.79 7.04 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 0.00 113 K 7.71 5.15 0.00 1.65 1.79 0.00 1.62 0.00 0.00 1.89 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.44 7.81 114 F 9.77 5.27 0.00 2.85 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 0.00 115 L 9.00 4.79 0.00 1.24 0.96 0.08 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.64 4.81 1.93 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 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0.76 0.00 0.00 0.83 0.00 0.00 125 F 7.84 4.22 0.00 3.51 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 F 7.67 2.51 0.00 1.51 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 0.00 127 H 8.34 3.84 0.00 3.15 3.39 0.00 5.84 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 0.00 128 D 8.19 4.26 0.00 2.95 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 0.00 129 W 8.01 4.28 0.00 3.59 3.18 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 0.00 130 K 7.11 4.14 0.00 1.62 1.56 0.00 1.43 0.00 0.00 1.36 0.00 0.00 2.60 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.07 0.74 7.81 131 K 7.50 4.05 0.00 1.72 1.75 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.27 7.81 132 T 6.74 4.17 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 1.16 0.00 0.00 133 P 0.00 4.14 0.00 2.13 2.11 0.00 3.53 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 134 L 7.78 3.95 0.00 1.86 1.83 1.07 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 135 S 7.12 3.66 0.00 2.72 3.18 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 0.00 136 K 7.99 3.98 0.00 1.93 1.77 0.00 1.61 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.39 7.81 137 E 8.41 4.01 0.00 1.97 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 2.24 2.22 0.00 138 I 7.81 4.04 2.19 0.00 0.00 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 1.89 1.39 1.10 0.00 0.00 139 T 7.97 4.06 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 1.20 0.00 0.00 140 N 8.41 4.55 0.00 2.94 2.87 0.00 0.00 7.09 7.79 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 0.00 141 I 7.89 3.94 2.01 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 1.55 0.89 0.84 0.00 0.00 *143 K 8.02 4.21 0.00 2.06 2.21 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.01 7.81 144 K 8.27 4.01 0.00 1.95 2.00 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.49 7.81 145 N 8.64 4.20 0.00 2.68 2.81 0.00 0.00 7.09 7.18 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 0.00 146 N 7.60 4.63 0.00 2.76 2.96 0.00 0.00 7.15 7.42 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 0.00 147 T 7.82 4.16 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 1.29 0.00 0.00 148 Q 8.20 4.58 0.00 2.11 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.16 0.00 *149 S 8.66 4.61 0.00 3.61 3.69 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 0.00 150 G 8.59 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 0.00 0.00 0.00 151 F 8.52 4.81 0.00 2.91 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 0.00 152 S 8.79 4.91 0.00 3.79 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 0.00 153 H 8.30 4.43 0.00 3.23 2.89 0.00 5.39 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 E 8.96 5.28 0.00 2.09 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 2.30 2.43 0.00 155 D 9.49 5.20 0.00 2.98 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 0.00 156 I 8.33 5.02 1.86 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 1.20 0.62 0.89 0.00 0.00 157 Y 9.50 5.03 0.00 2.94 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 0.00 158 H 9.14 5.64 0.00 3.35 3.53 0.00 5.45 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 Y 8.60 4.68 0.00 3.09 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 0.00 160 P 0.00 4.61 0.00 2.26 2.15 0.00 3.99 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 161 E 8.61 4.17 0.00 2.01 1.79 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 2.23 1.87 0.00 162 F 8.95 4.35 0.00 3.02 3.03 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 * Residues marked with a * may have inaccurate shift predictions.