NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3337 8.3293 119.6811 56.0208 30.1843 173.9720 3 T 4.7011 8.1643 110.2913 59.5092 72.1901 171.3298 4 I 4.4691 8.8389 125.1546 59.2412 40.6461 176.2533 5 N 4.8271 8.6916 123.8682 53.1713 39.2895 175.9362 6 A 3.9359 8.8404 124.9684 55.7993 18.3552 180.4758 7 T 3.8334 7.8243 113.5968 66.8410 68.3641 176.3165 8 E 4.0167 8.0679 119.6497 59.0424 30.0017 178.6198 9 I 3.8799 7.6313 119.8064 64.3016 37.0331 178.0349 10 R 3.9312 8.1611 118.4677 59.8961 29.9964 178.1354 11 N 4.6252 8.3635 114.2796 55.2012 39.1773 174.8477 12 N 5.2588 8.4776 118.3410 52.0191 40.1116 176.3721 13 F 4.5619 8.7104 121.9887 61.6878 39.8034 175.5213 14 S 3.9367 8.1663 112.3127 61.4016 62.1960 175.2012 15 Y 3.9764 7.9910 121.7775 61.0242 38.5565 177.6343 16 Y 3.8390 8.0135 117.5349 60.5923 37.9512 178.0011 17 I 3.4580 7.6002 120.9548 64.3171 37.2174 177.4765 18 D 4.2172 7.8317 118.6228 57.8481 40.9531 178.3591 19 T 3.7633 7.5584 115.9713 66.9456 68.2755 176.7235 20 V 3.9030 8.0002 119.9294 65.3357 31.5914 177.9719 21 V 3.7673 8.0526 120.2328 66.6741 31.5163 178.6013 22 R 4.2127 8.2854 119.1881 60.3008 29.8113 177.6577 23 D 4.7946 8.3734 119.4671 53.8726 43.0104 177.4283 24 K 4.3737 8.5557 127.3817 56.2028 33.7469 174.4132 25 P 4.5021 0.0000 0.0000 62.7443 32.1042 175.5987 26 I 4.6090 8.1744 114.2381 59.0615 41.5143 173.7556 27 A 4.8494 8.2214 124.8000 50.2518 21.4066 175.6100 28 V 4.5215 8.5574 122.6652 60.7133 34.4719 174.1473 29 K 4.7800 8.6026 128.8664 54.6629 34.4941 174.5876 30 R 4.5673 8.9330 128.8094 55.5901 32.0812 177.8131 31 N 4.1366 9.0704 126.6844 54.7923 37.8824 175.6956 32 R 4.4184 9.1668 123.1595 56.8074 31.2121 175.3428 33 D 4.9480 8.2163 119.6231 52.4523 42.8406 175.2681 34 V 4.8893 8.1522 121.6749 61.1494 34.2064 174.4983 35 L 5.0176 8.8528 126.4521 52.8763 45.9719 175.2361 36 L 5.0262 8.5718 119.8004 52.9912 45.0851 175.8742 37 F 5.2582 8.8440 122.1266 55.8514 41.5396 174.5799 38 F 5.2849 8.8836 121.4869 55.1611 42.3430 175.2431 39 S 4.3020 8.7494 116.0709 58.0380 63.8688 174.6656 40 E 3.9125 9.0254 123.1194 59.8587 29.1273 179.1639 41 Q 3.9540 8.0243 118.7814 59.1545 29.1558 178.0410 42 I 3.7108 7.5386 120.9129 64.5646 37.3013 178.5291 43 I 3.4778 7.3857 119.7497 64.0254 36.6434 178.4457 44 K 3.7964 8.0606 118.7448 59.8028 32.2391 178.6785 45 D 4.4393 8.3739 119.2399 57.3030 40.4887 178.6435 46 L 3.9558 7.7510 119.9143 57.5324 42.4228 178.0175 47 L 4.2783 7.4287 116.5865 54.2945 41.4553 177.8594 48 Q 3.8590 7.5655 122.1794 59.4056 28.9458 177.9069 49 D 4.4009 7.7967 115.1397 55.9296 41.2848 176.2898 50 L 3.9322 7.4216 121.7016 54.8550 42.2093 175.9480 51 K 4.7043 8.4266 124.8861 54.5955 35.3182 175.3895 52 I 4.3808 8.7657 124.2874 60.0744 39.3494 174.2520 53 H 5.2834 8.6459 124.2775 54.3117 30.0516 174.3663 54 A 4.9969 9.2598 125.0715 50.0861 22.5844 174.4402 55 E 5.1247 8.9837 119.2420 54.4971 32.5921 175.2016 56 L 5.2265 8.8711 123.9093 52.9201 44.8240 175.8871 57 S 4.8204 9.1151 118.1554 56.3127 65.4105 172.1987 58 K 4.9138 8.6906 128.2944 54.7337 33.8220 175.1275 59 E 4.4308 9.2508 127.7410 56.5784 32.8630 174.2698 60 D 4.5816 9.7306 121.5365 55.7706 37.4098 174.3414 61 G 4.0040 8.0522 109.1703 45.2657 0.0000 170.5831 62 I 4.8066 7.6030 120.8786 59.3999 40.5897 174.5208 63 I 4.9247 8.9215 127.2860 59.6033 40.1092 174.4452 64 I 4.7738 8.7379 128.3490 59.8300 39.1045 174.8688 65 G 4.5399 8.9476 114.5107 44.5561 0.0000 172.2081 66 T 5.1864 9.0331 113.7857 59.9807 73.0203 173.0304 67 I 4.5407 8.4303 123.6986 59.3223 38.3247 175.8476 68 D 4.3119 8.5095 127.3604 56.9317 41.2034 179.3481 69 G 3.5838 7.8945 106.8959 47.9177 0.0000 173.8394 70 F 4.7032 7.9597 116.7419 56.4017 39.2807 175.3388 71 D 4.2631 7.7607 118.9923 55.1451 40.2716 172.7099 72 L 4.8858 7.1612 113.4540 52.6971 43.9668 176.5092 73 V 5.0297 8.1149 122.2067 60.7028 34.3732 173.9902 74 V 4.6611 8.9480 116.8565 59.7282 36.5326 174.0064 75 S 5.1352 8.4081 115.3619 57.1143 65.7014 172.6793 76 G 4.1508 8.7279 110.8400 46.3543 0.0000 173.2802 77 E 4.8823 9.7067 117.9148 55.6870 30.5257 176.9523 78 S 4.7286 7.4644 113.2561 55.3094 67.6828 174.0023 79 E 3.8986 8.7612 122.7012 59.9837 29.2333 179.2563 80 Q 4.0110 7.9666 117.2959 58.6461 28.8610 178.0504 81 E 3.8779 8.3684 120.5796 59.2337 29.6662 178.8740 82 V 3.5867 7.7552 118.2601 66.2845 31.4566 178.0837 83 I 3.6835 7.8516 119.3708 64.2044 36.9167 178.0881 84 Q 3.9293 8.0636 120.4796 59.3575 28.9131 178.7966 85 K 4.2074 8.1260 119.3518 59.2657 32.0246 179.3974 86 L 3.9977 8.2124 119.3653 57.7605 41.5557 179.4286 87 A 4.0026 8.3043 120.9709 55.1200 18.2988 179.4816 88 E 3.9276 8.2535 117.0785 59.8472 29.5298 179.4517 89 D 4.4336 8.3017 118.8003 57.0122 40.7674 178.7464 90 L 4.1042 8.4312 120.1650 57.7781 41.6733 179.3116 91 L 3.9209 8.0616 120.1238 58.0217 41.9661 178.3245 92 E 4.1613 8.2219 120.6265 58.9134 29.4770 178.0474 93 Y 4.2461 8.4515 119.4730 60.8340 38.5643 178.0495 94 A 3.6056 7.9676 120.4669 55.1156 18.7768 179.2706 95 Q 4.0627 8.1057 116.4588 59.3665 28.7071 178.9533 96 D 4.4364 8.2421 120.0468 57.2018 40.2279 178.2942 97 Y 2.6250 7.4220 116.1410 58.5790 38.1793 177.2280 *99 N 4.7630 8.0485 116.7599 52.7472 41.2635 174.3049 100 D 4.8703 7.7431 116.8095 51.4696 41.4799 175.0504 101 F 4.1680 8.3576 127.4323 60.4982 39.9913 175.6593 102 K 3.8751 8.3054 118.6819 59.5370 31.6721 178.2013 103 L 3.8422 7.4423 117.5636 58.2607 42.4870 178.6987 104 F 3.7522 8.0335 117.6410 60.5081 38.5329 177.2270 105 Y 4.1509 7.4287 119.5298 59.3540 38.5179 176.8074 106 N 4.6182 7.2560 113.7450 51.9835 39.6817 175.1297 107 A 4.1065 6.9465 124.4192 50.7105 19.2179 175.4834 108 P 4.3949 0.0000 0.0000 64.1875 31.6005 176.3527 109 N 4.2980 8.8562 118.6246 54.5063 36.1886 175.5290 110 R 4.1759 7.7737 117.6555 56.3428 30.9688 178.1268 111 K 3.5813 7.8549 120.2348 59.5504 31.9613 178.1215 112 T 4.2799 7.8231 107.2934 64.0741 69.2305 175.6504 113 H 4.8332 8.5348 119.7550 58.6091 28.6453 176.6599 114 Y 3.9523 8.1880 122.0228 60.4311 38.6383 176.4990 115 P 3.8839 0.0000 0.0000 65.5493 31.2728 178.2900 116 Y 4.0500 7.7457 115.4046 61.0088 38.0030 178.1519 117 I 3.5882 7.5414 114.0473 63.4924 37.6617 178.0260 118 L 3.6761 7.6513 122.6918 57.7375 41.5995 178.8980 119 K 3.7655 7.4401 118.4186 59.3818 32.3940 178.5191 120 V 4.3376 7.8787 119.9671 65.6791 31.2095 178.0679 121 L 4.0473 7.7178 117.5396 57.6151 41.5223 179.0848 122 L 4.1395 7.7190 117.5406 55.9660 41.9642 177.8855 123 S 4.5217 7.0286 114.4921 58.8601 63.4114 174.7514 124 S 4.3219 9.2637 120.3598 61.3330 62.9647 174.4082 125 N 4.8027 7.5257 115.8969 50.9450 40.8255 175.2012 126 I 3.6689 8.2158 120.6712 64.2595 36.8031 177.8526 127 D 4.3046 8.1166 117.8802 57.4980 41.3534 177.7306 128 E 4.0793 8.7339 119.7228 59.2610 29.6662 178.7246 129 V 2.8700 7.4111 118.3451 65.9382 31.4245 177.8531 130 K 3.8466 8.1706 118.3413 59.6537 31.6842 179.1346 131 G 3.8682 7.7081 103.9603 46.3822 0.0000 173.4498 132 Y 5.2038 7.3000 119.4058 56.8419 39.5138 174.9392 133 I 4.7430 7.6344 121.1927 61.3926 38.3973 174.8742 134 Y 4.6792 9.6326 126.2895 56.3039 39.9613 174.6252 135 A 5.0193 8.6193 126.9151 50.7988 20.4884 175.9351 136 E 4.4506 9.0939 126.2494 55.5060 33.0763 177.4349 *138 V 3.8627 8.2711 114.7503 62.7165 32.0662 175.2385 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 Q 8.33 4.33 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 3 T 8.16 4.70 4.15 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 1.14 0.00 0.00 4 I 8.84 4.47 1.57 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.90 0.66 0.00 0.00 5 N 8.69 4.83 0.00 2.61 2.70 0.00 0.00 7.01 8.12 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 6 A 8.84 3.94 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 7 T 7.82 3.83 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 1.22 0.00 0.00 8 E 8.07 4.02 0.00 1.97 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 0.00 2.37 2.52 0.00 9 I 7.63 3.88 2.05 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.77 1.31 0.00 0.00 10 R 8.16 3.93 0.00 1.85 2.18 0.00 3.26 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 11 N 8.36 4.63 0.00 2.81 2.93 0.00 0.00 6.89 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.48 5.26 0.00 3.26 2.83 0.00 0.00 6.46 7.49 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 13 F 8.71 4.56 0.00 3.35 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 14 S 8.17 3.94 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 15 Y 7.99 3.98 0.00 2.97 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 16 Y 8.01 3.84 0.00 3.20 3.04 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 17 I 7.60 3.46 1.73 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 -0.22 0.74 0.00 0.00 18 D 7.83 4.22 0.00 2.67 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.56 3.76 4.17 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 1.23 0.00 0.00 20 V 8.00 3.90 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 1.09 0.00 0.00 1.07 0.00 0.00 21 V 8.05 3.77 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 0.81 0.00 0.00 0.90 0.00 0.00 22 R 8.29 4.21 0.00 1.90 1.82 0.00 3.29 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 23 D 8.37 4.79 0.00 2.66 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 0.00 0.00 0.00 24 K 8.56 4.37 0.00 1.92 1.92 0.00 1.49 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.43 7.81 25 P 0.00 4.50 0.00 1.61 1.31 0.00 3.60 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 2.10 2.20 0.00 26 I 8.17 4.61 1.69 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.94 0.93 0.00 0.00 27 A 8.22 4.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.56 4.52 1.53 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 0.81 0.00 0.00 -0.05 0.00 0.00 29 K 8.60 4.78 0.00 1.79 1.56 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.30 7.81 30 R 8.93 4.57 0.00 1.80 1.75 0.00 3.44 0.00 0.00 3.15 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.69 0.00 31 N 9.07 4.14 0.00 2.85 2.25 0.00 0.00 7.11 7.66 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 32 R 9.17 4.42 0.00 1.76 1.94 0.00 3.22 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 33 D 8.22 4.95 0.00 2.75 2.54 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 34 V 8.15 4.89 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 0.77 0.00 0.00 0.89 0.00 0.00 35 L 8.85 5.02 0.00 1.52 1.58 0.89 0.82 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 36 L 8.57 5.03 0.00 1.72 1.31 1.09 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.84 5.26 0.00 2.71 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 8.88 5.28 0.00 2.87 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 39 S 8.75 4.30 0.00 4.02 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 0.00 40 E 9.03 3.91 0.00 2.05 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 2.36 2.37 0.00 41 Q 8.02 3.95 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.67 0.00 42 I 7.54 3.71 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.82 1.03 0.00 0.00 43 I 7.39 3.48 1.75 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.98 0.71 0.00 0.00 44 K 8.06 3.80 0.00 1.90 1.84 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.45 7.81 45 D 8.37 4.44 0.00 2.78 2.69 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 46 L 7.75 3.96 0.00 1.69 1.77 0.81 0.73 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 47 L 7.43 4.28 0.00 1.68 1.40 0.70 0.28 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 48 Q 7.57 3.86 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 7.01 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 49 D 7.80 4.40 0.00 2.64 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 50 L 7.42 3.93 0.00 1.35 1.39 0.39 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.43 4.70 0.00 1.06 0.74 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.23 0.59 7.81 52 I 8.77 4.38 2.02 0.00 0.00 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 1.48 1.39 0.92 0.00 0.00 53 H 8.65 5.28 0.00 2.95 3.48 0.00 5.64 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 9.26 5.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.98 5.12 0.00 1.87 1.82 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 2.21 2.22 0.00 56 L 8.87 5.23 0.00 1.44 1.53 0.92 0.81 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 57 S 9.12 4.82 0.00 3.83 3.65 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 0.00 0.00 0.00 0.00 58 K 8.69 4.91 0.00 1.77 1.67 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.46 7.81 59 E 9.25 4.43 0.00 1.98 1.71 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 2.20 2.27 0.00 60 D 9.73 4.58 0.00 2.78 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 61 G 8.05 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 0.00 0.00 0.00 62 I 7.60 4.81 1.98 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 1.37 0.98 0.91 0.00 0.00 63 I 8.92 4.92 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.05 0.93 0.00 0.00 64 I 8.74 4.77 1.86 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 1.16 1.02 0.90 0.00 0.00 65 G 8.95 4.54 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 0.00 0.00 0.00 66 T 9.03 5.19 4.38 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 1.20 0.00 0.00 67 I 8.43 4.54 1.84 0.00 0.00 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 1.31 1.15 0.43 0.00 0.00 68 D 8.51 4.31 0.00 2.64 2.67 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 0.00 0.00 0.00 0.00 69 G 7.89 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 70 F 7.96 4.70 0.00 2.87 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 71 D 7.76 4.26 0.00 2.76 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.16 4.89 0.00 1.65 1.57 1.07 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.11 5.03 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 0.67 0.00 0.00 0.93 0.00 0.00 74 V 8.95 4.66 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 0.72 0.00 0.00 1.02 0.00 0.00 75 S 8.41 5.14 0.00 3.82 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 76 G 8.73 4.15 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 0.00 77 E 9.71 4.88 0.00 1.94 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 2.26 2.18 0.00 78 S 7.46 4.73 0.00 4.10 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 79 E 8.76 3.90 0.00 2.04 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 2.37 2.41 0.00 80 Q 7.97 4.01 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 81 E 8.37 3.88 0.00 2.02 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 2.30 2.31 0.00 82 V 7.76 3.59 2.22 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 1.04 0.00 0.00 0.99 0.00 0.00 83 I 7.85 3.68 1.85 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 1.39 0.62 0.88 0.00 0.00 84 Q 8.06 3.93 0.00 2.16 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 85 K 8.13 4.21 0.00 1.98 1.84 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.58 7.81 86 L 8.21 4.00 0.00 1.85 1.73 0.92 0.92 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 87 A 8.30 4.00 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 88 E 8.25 3.93 0.00 2.21 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 2.33 2.54 0.00 89 D 8.30 4.43 0.00 2.73 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.43 4.10 0.00 1.98 1.80 1.01 0.71 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 91 L 8.06 3.92 0.00 1.77 1.84 0.92 0.76 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 92 E 8.22 4.16 0.00 2.11 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 0.00 2.38 2.23 0.00 93 Y 8.45 4.25 0.00 3.04 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 94 A 7.97 3.61 1.26 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 0.00 0.00 95 Q 8.11 4.06 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 96 D 8.24 4.44 0.00 2.67 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 97 Y 7.42 2.62 0.00 2.24 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *99 N 8.05 4.76 0.00 2.93 2.94 0.00 0.00 6.75 8.06 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 0.00 100 D 7.74 4.87 0.00 2.70 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 0.00 101 F 8.36 4.17 0.00 3.22 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 0.00 102 K 8.31 3.88 0.00 1.98 1.86 0.00 1.71 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.58 7.81 103 L 7.44 3.84 0.00 1.83 1.85 0.77 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 104 F 8.03 3.75 0.00 2.23 1.55 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 0.00 105 Y 7.43 4.15 0.00 1.68 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.26 4.62 0.00 2.91 2.78 0.00 0.00 6.99 7.23 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 0.00 107 A 6.95 4.11 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 0.00 108 P 0.00 4.39 0.00 2.03 2.00 0.00 3.74 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 109 N 8.86 4.30 0.00 2.91 2.97 0.00 0.00 7.05 7.66 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 0.00 110 R 7.77 4.18 0.00 2.07 2.11 0.00 3.23 0.00 0.00 3.50 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 111 K 7.85 3.58 0.00 1.52 1.62 0.00 1.43 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.26 0.21 7.81 112 T 7.82 4.28 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 1.28 0.00 0.00 113 H 8.53 4.83 0.00 3.55 3.33 0.00 5.65 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 0.00 114 Y 8.19 3.95 0.00 3.54 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 0.00 115 P 0.00 3.88 0.00 1.76 1.84 0.00 3.94 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.22 0.00 116 Y 7.75 4.05 0.00 3.20 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 0.00 117 I 7.54 3.59 1.43 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.29 0.21 0.00 0.00 118 L 7.65 3.68 0.00 0.86 1.36 0.85 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 119 K 7.44 3.77 0.00 1.66 1.83 0.00 1.55 0.00 0.00 0.93 0.00 0.00 2.13 0.00 0.00 2.16 0.00 0.00 0.00 0.00 1.00 1.10 7.81 120 V 7.88 4.34 2.23 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 1.37 0.00 0.00 1.19 0.00 0.00 121 L 7.72 4.05 0.00 1.78 1.69 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 122 L 7.72 4.14 0.00 1.72 1.69 0.82 0.90 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 0.00 123 S 7.03 4.52 0.00 4.06 3.89 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 0.00 124 S 9.26 4.32 0.00 3.85 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 0.00 125 N 7.53 4.80 0.00 2.95 2.90 0.00 0.00 6.29 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 0.00 126 I 8.22 3.67 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.90 0.89 0.00 0.00 127 D 8.12 4.30 0.00 2.65 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 0.00 128 E 8.73 4.08 0.00 2.10 2.11 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 2.53 2.44 0.00 129 V 7.41 2.87 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 0.80 0.00 0.00 0.97 0.00 0.00 130 K 8.17 3.85 0.00 1.97 1.81 0.00 1.82 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.53 7.81 131 G 7.71 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 0.00 132 Y 7.30 5.20 0.00 3.15 3.23 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 0.00 133 I 7.63 4.74 1.86 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 0.60 0.93 0.00 0.00 134 Y 9.63 4.68 0.00 2.64 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 0.00 135 A 8.62 5.02 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 0.00 136 E 9.09 4.45 0.00 2.05 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 2.30 2.38 0.00 *138 V 8.27 3.86 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 0.70 0.00 0.00 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.