NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *6 H 4.6908 8.4444 117.3760 53.8523 29.7227 171.9891 7 K 4.0380 8.3468 117.8867 57.0503 32.5271 174.9541 8 D 4.6469 9.1289 123.4394 53.4377 40.6955 174.3212 9 Y 4.5174 8.3132 120.4428 57.1884 39.6277 175.6210 10 E 4.5351 7.7985 118.9696 55.5768 31.1131 175.3794 11 T 4.4964 8.1025 116.8842 61.8599 71.0535 173.9720 12 V 4.3054 7.8837 125.2257 61.3010 33.7795 174.6867 13 R 5.1206 8.5489 126.6587 55.4375 32.1785 175.1895 14 I 5.2803 9.3321 123.8874 59.6360 40.4523 174.2145 15 A 5.1994 8.7759 128.8903 50.3041 21.3832 175.5157 16 V 4.5428 9.1924 122.5625 61.2216 34.1970 174.7440 17 V 4.8230 8.9944 129.6745 61.3977 32.1683 173.6489 18 R 5.1108 8.5714 123.8776 54.5948 31.4154 176.4210 19 A 4.8733 8.9436 125.1543 52.1393 19.2906 177.2209 20 R 4.5548 8.4106 116.3237 56.2344 31.7307 177.6781 21 W 4.0115 7.9364 120.5591 57.9959 29.6383 175.6799 22 H 4.1667 8.9044 119.4558 56.5010 26.0277 176.7941 23 A 4.0323 8.3897 122.5398 55.7114 17.8768 178.5278 24 D 4.4098 8.2987 114.5323 58.1916 41.4884 178.6202 25 I 3.6016 7.5958 119.0649 64.2106 37.1960 178.3578 26 V 3.8128 7.6977 119.0876 66.3954 31.2922 177.6971 27 D 4.4437 8.6696 118.7612 57.6002 40.4703 178.8791 28 Q 3.8567 7.8703 118.0521 58.9639 28.4397 178.3554 29 C 4.2783 8.2568 119.8244 61.9550 31.5408 175.9125 30 V 3.6272 7.6107 119.9295 65.9532 31.2868 178.0088 31 S 4.1356 8.2577 113.9013 61.5552 62.8695 176.2802 32 A 4.0639 7.8477 124.4916 54.3864 17.9793 179.5533 33 F 4.2235 7.9527 119.4600 61.6053 39.5543 177.2928 34 E 3.7461 8.4126 118.0077 59.1978 29.2639 179.0881 35 A 3.8960 8.3067 121.0757 55.2464 18.4487 179.2817 36 E 3.7669 7.9973 116.6957 59.7765 29.5054 179.0979 37 M 3.5739 7.9612 118.0840 58.6579 32.0909 178.0520 38 A 4.0486 8.1899 120.8039 55.1698 18.3749 178.7232 39 D 4.2709 8.1642 115.7756 57.5262 41.2928 178.0581 40 I 4.2201 7.8753 111.5478 62.6407 38.4421 177.8274 41 G 4.1294 9.0370 107.9440 46.4066 0.0000 174.9160 42 G 3.5817 9.1963 109.1936 47.7074 0.0000 175.0627 43 D 4.6814 8.8040 130.0201 54.2252 39.3585 172.8818 44 R 4.3300 7.9126 115.9001 57.7061 30.2193 180.4990 45 F 5.4320 7.8053 115.1685 57.1561 43.5864 173.6692 46 A 4.7742 9.1398 122.0115 50.3797 22.6613 175.0835 47 V 4.9804 8.6054 121.7341 61.3097 33.7187 174.3548 48 D 4.9219 9.2547 128.0292 52.5490 43.3325 175.1971 49 V 4.6565 8.1297 123.6253 61.3075 33.3753 174.6838 50 F 4.9494 9.5330 126.7627 55.7549 41.7511 174.4807 51 D 5.1213 8.8689 123.4475 54.1343 41.9875 176.0159 52 V 4.2922 8.3750 120.3363 60.8637 34.1420 173.1661 53 P 4.3474 0.0000 0.0000 65.4098 31.5752 176.4415 54 G 4.4056 9.1535 105.6613 42.5882 0.0000 172.9042 55 A 3.9674 8.7403 120.9465 55.7625 17.8160 179.4195 56 Y 4.0825 7.9825 116.1406 60.6317 39.0304 177.4049 57 E 4.2058 8.8563 118.5702 57.5326 29.7398 178.7501 58 I 3.6959 7.5777 121.0102 63.8481 37.1499 176.1162 59 P 4.1364 0.0000 0.0000 65.6982 31.2202 178.2642 60 L 3.8612 7.7605 118.3283 58.3851 41.9501 178.4469 61 H 3.9467 7.9926 118.0110 59.2454 29.8258 177.0678 62 A 3.8807 8.5186 122.8677 55.1667 18.0946 179.6232 63 R 3.8082 8.0443 117.3403 59.6250 29.9247 178.8855 64 T 3.8081 7.5829 114.7504 66.5907 68.7492 176.2693 65 L 3.9091 7.6863 120.5718 57.7746 41.1032 179.1333 66 A 4.0865 8.0922 120.4540 55.6873 18.1105 179.0404 67 E 4.1950 8.1220 114.3557 58.1177 29.7777 178.7973 68 T 4.1180 8.1963 110.4943 62.6795 69.0864 175.7716 69 G 3.9547 7.7857 107.8561 45.5509 0.0000 174.0722 70 R 4.1129 7.7844 117.2549 56.6952 30.5129 176.0141 71 Y 4.9493 7.7016 115.2432 56.0724 41.0389 175.6975 72 G 4.0396 9.1934 110.3285 48.0468 0.0000 173.4991 73 A 4.8632 7.6499 119.3702 51.2385 22.5790 175.2461 74 V 4.7746 8.7127 120.0305 60.8853 35.3021 174.0997 75 L 4.9355 9.1292 129.4435 53.2284 44.4888 175.0313 76 G 4.3145 8.7571 114.4378 45.2736 0.0000 172.2628 77 T 5.1084 8.6857 118.7401 60.4474 71.0457 172.4151 78 A 4.8761 8.5093 127.2056 51.4012 23.5975 174.8246 79 F 5.5455 8.8903 121.6983 56.5626 40.7358 173.8802 80 V 3.8408 8.6409 125.5945 61.7905 31.9279 175.0862 81 V 4.2832 7.7817 120.6462 59.3774 34.7692 175.1198 82 N 4.3817 8.2059 120.2104 51.9874 38.4573 174.7465 83 G 3.6669 8.4982 115.0668 46.6246 0.0000 173.4126 84 G 3.8976 8.4192 107.7137 45.4445 0.0000 173.4640 85 I 4.0838 7.5169 117.5703 62.2582 39.3289 175.1591 86 Y 4.8689 7.3853 114.4069 55.8228 40.7561 175.3774 87 R 4.3085 8.5838 120.8813 56.3217 31.0900 177.1342 88 H 4.6763 8.7205 116.9921 55.8750 29.2915 176.9914 89 E 3.5846 7.5055 122.0342 59.6091 29.2991 178.6734 90 F 4.2787 7.1914 117.0229 60.6646 38.9997 177.8329 91 V 3.6429 7.7928 116.7939 66.0196 31.5233 177.4098 92 A 3.9672 7.8249 120.5611 55.5624 18.0661 179.6158 93 S 4.0288 8.5463 111.5300 61.4558 62.4586 176.2442 94 A 4.0188 8.2375 123.6558 54.9365 18.1026 179.8791 95 V 3.5021 8.3977 117.3611 66.1559 31.1092 178.4388 96 I 3.7057 7.8673 119.5963 64.5176 36.8690 178.2509 97 D 4.4797 8.5019 120.2084 57.1127 40.5475 178.9417 98 G 3.5838 8.4107 106.7494 48.0468 0.0000 175.6363 99 M 3.9970 7.9438 121.1442 58.3670 32.0440 178.3873 100 M 3.9693 7.6506 117.4349 58.6531 32.2717 177.6886 101 N 4.2267 8.2966 117.3004 56.6661 39.1001 176.8805 102 V 3.5032 7.9112 119.9606 66.1213 31.6415 177.8208 103 Q 4.5497 8.3031 119.0298 58.9061 27.9669 178.7966 104 L 4.0521 7.7324 120.1997 57.2175 41.7341 179.2955 105 S 4.2710 7.8577 113.8455 61.7629 63.3134 176.3703 106 T 4.1039 8.4111 113.0122 62.0065 68.8966 175.8696 107 G 3.9142 8.4557 109.0638 44.7825 0.0000 173.1738 108 V 4.0464 7.6404 120.6257 60.9677 32.5667 173.2937 109 P 4.6389 0.0000 0.0000 62.7582 32.5181 175.3387 110 V 4.7469 8.2733 123.3911 61.1549 33.7781 174.6451 111 L 4.4460 8.9639 129.0999 54.0558 43.4839 175.8328 112 S 4.8453 8.5332 117.0180 56.4608 63.4672 173.2653 113 A 4.6016 8.9945 128.7270 51.5177 20.7371 175.2611 114 V 4.1794 7.5255 118.6994 63.7713 31.7245 175.2926 115 L 4.9086 8.9756 128.5894 53.2600 44.6540 176.1564 116 T 5.3034 8.6911 118.6742 60.1725 70.7252 172.2478 117 P 4.7101 0.0000 0.0000 62.1198 32.7747 176.4377 118 H 4.3893 8.9104 116.5756 58.5298 28.7892 176.1009 119 N 4.9674 8.0862 114.7592 51.5842 41.7269 173.2177 120 Y 4.6119 8.5880 123.3982 56.3824 41.4928 174.7381 121 H 4.5550 7.4452 126.6669 59.9606 30.1864 174.9075 122 D 3.9403 6.1648 115.2874 54.5109 38.2508 173.1913 123 S 4.7897 6.9197 119.3471 56.2882 67.9298 174.4507 124 A 3.9856 8.4889 122.9152 55.8100 18.0113 179.7600 125 E 4.0214 8.1417 115.8717 59.8401 29.6560 178.9376 126 H 4.3093 8.0541 116.3070 59.3131 28.7419 176.9392 127 H 4.4677 8.9871 120.0894 59.7904 29.7177 177.2598 128 R 4.0073 8.6795 120.6525 59.2883 29.8846 177.9970 129 F 3.9129 8.9931 120.7939 61.6548 39.4417 177.2701 130 F 4.3418 8.7442 116.8963 59.9503 38.4506 177.6544 131 F 3.9826 8.3995 120.4449 61.0588 39.4838 176.8298 132 E 4.0722 8.3158 118.2214 59.7919 29.5224 178.6861 133 H 3.9472 8.2628 118.5125 59.2468 29.7575 177.1703 134 F 3.9817 8.3737 119.9060 60.4535 38.6026 177.6471 135 T 3.9736 7.8171 109.7150 64.6044 68.5468 176.7348 136 V 3.4584 7.4900 120.5732 65.8570 31.5313 178.0889 137 K 3.9947 7.8281 118.0874 59.0616 31.7418 179.6897 138 G 3.6215 8.0979 108.7532 48.3063 0.0000 176.5846 139 K 4.0351 7.9780 126.3145 59.5165 31.6642 180.8808 140 E 4.1292 8.0607 119.1344 59.1440 29.3647 179.2447 141 A 3.9703 8.1258 120.6321 55.1692 18.3949 179.2734 142 A 3.9146 8.2735 119.1563 55.5921 18.3899 179.8537 143 R 3.8177 7.9949 115.6490 59.3524 30.1434 179.2601 144 A 3.9457 8.1702 120.3588 55.2293 18.3452 179.1454 145 C 4.0186 8.4651 117.5919 62.6933 31.6806 175.9735 146 V 3.3481 7.9765 120.0915 65.9765 30.9994 177.8790 147 E 3.9670 8.4104 118.5894 59.3470 29.2699 179.0842 148 I 3.6311 8.1685 119.1001 64.1521 38.1584 177.9010 149 L 4.0229 7.8604 119.2959 57.6199 41.2197 179.3439 150 A 3.9922 7.8582 119.4384 55.2734 18.5976 179.0113 151 A 4.0982 8.7243 120.1172 55.5512 18.3663 180.1131 152 R 3.9301 8.4029 118.9083 60.1344 29.9796 179.5943 153 E 4.0597 7.8630 116.3127 61.2402 29.5681 180.9683 154 K 4.3468 7.6223 116.5754 59.4335 32.2082 177.1573 155 I 3.8650 7.6054 123.6712 61.9142 37.1683 175.4408 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 H 8.44 4.69 0.00 2.95 2.97 0.00 7.17 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.35 4.04 0.00 1.90 2.02 0.00 1.83 0.00 0.00 1.92 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.55 7.81 8 D 9.13 4.65 0.00 2.63 2.48 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 0.00 0.00 0.00 0.00 9 Y 8.31 4.52 0.00 2.88 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 10 E 7.80 4.54 0.00 1.93 1.85 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 2.33 2.27 0.00 11 T 8.10 4.50 4.20 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 1.18 0.00 0.00 12 V 7.88 4.31 1.91 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 1.13 0.00 0.00 0.80 0.00 0.00 13 R 8.55 5.12 0.00 1.77 1.77 0.00 2.85 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 14 I 9.33 5.28 2.09 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.79 1.27 0.00 0.00 15 A 8.78 5.20 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.19 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 0.88 0.00 0.00 0.96 0.00 0.00 17 V 8.99 4.82 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 0.94 0.00 0.00 0.88 0.00 0.00 18 R 8.57 5.11 0.00 2.01 2.05 0.00 2.97 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 19 A 8.94 4.87 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 20 R 8.41 4.55 0.00 1.89 2.01 0.00 3.37 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.77 0.00 21 W 7.94 4.01 0.00 3.41 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 22 H 8.90 4.17 0.00 3.53 3.46 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.39 4.03 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 24 D 8.30 4.41 0.00 2.81 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 25 I 7.60 3.60 1.31 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.61 -0.90 0.00 0.00 26 V 7.70 3.81 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 1.14 0.00 0.00 1.14 0.00 0.00 27 D 8.67 4.44 0.00 2.99 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 28 Q 7.87 3.86 0.00 2.01 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 1.89 1.16 0.00 29 C 8.26 4.28 0.00 2.96 3.27 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 30 V 7.61 3.63 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 1.09 0.00 0.00 1.01 0.00 0.00 31 S 8.26 4.14 0.00 4.10 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 32 A 7.85 4.06 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 33 F 7.95 4.22 0.00 3.13 3.31 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 34 E 8.41 3.75 0.00 2.22 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 2.38 2.59 0.00 35 A 8.31 3.90 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.00 3.77 0.00 2.07 1.87 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 2.28 2.57 0.00 37 M 7.96 3.57 0.00 1.81 1.60 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.06 0.00 38 A 8.19 4.05 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 39 D 8.16 4.27 0.00 2.67 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 40 I 7.88 4.22 1.83 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.63 0.86 0.00 0.00 41 G 9.04 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 42 G 9.20 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 43 D 8.80 4.68 0.00 2.89 2.72 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 44 R 7.91 4.33 0.00 1.50 1.94 0.00 3.22 0.00 0.00 3.17 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 45 F 7.81 5.43 0.00 2.82 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 46 A 9.14 4.77 1.24 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 0.00 0.00 47 V 8.61 4.98 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 1.14 0.00 0.00 0.93 0.00 0.00 48 D 9.25 4.92 0.00 2.95 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 0.00 0.00 0.00 0.00 49 V 8.13 4.66 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 0.80 0.00 0.00 0.95 0.00 0.00 50 F 9.53 4.95 0.00 3.00 2.98 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 51 D 8.87 5.12 0.00 2.59 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 52 V 8.37 4.29 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 0.99 0.00 0.00 0.72 0.00 0.00 53 P 0.00 4.35 0.00 2.45 2.17 0.00 3.64 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 2.17 2.17 0.00 54 G 9.15 4.41 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 0.00 55 A 8.74 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 7.98 4.08 0.00 2.82 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 57 E 8.86 4.21 0.00 2.25 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 2.36 2.44 0.00 58 I 7.58 3.70 1.95 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 0.76 0.88 0.00 0.00 59 P 0.00 4.14 0.00 2.00 2.01 0.00 3.64 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.06 0.00 60 L 7.76 3.86 0.00 1.67 1.62 0.88 0.88 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 61 H 7.99 3.95 0.00 3.39 3.21 0.00 5.85 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.52 3.88 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 63 R 8.04 3.81 0.00 1.84 2.04 0.00 3.06 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 64 T 7.58 3.81 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 1.13 0.00 0.00 65 L 7.69 3.91 0.00 1.57 1.29 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.09 4.09 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 67 E 8.12 4.20 0.00 2.00 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 0.00 2.33 2.43 0.00 68 T 8.20 4.12 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 1.32 0.00 0.00 69 G 7.79 3.95 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 0.00 70 R 7.78 4.11 0.00 1.46 1.52 0.00 3.03 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 71 Y 7.70 4.95 0.00 2.95 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 72 G 9.19 4.04 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 0.00 73 A 7.65 4.86 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.71 4.77 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 0.92 0.00 0.00 0.87 0.00 0.00 75 L 9.13 4.94 0.00 1.44 1.10 0.75 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.76 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 0.00 0.00 0.00 0.00 77 T 8.69 5.11 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 1.19 0.00 0.00 78 A 8.51 4.88 1.30 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 79 F 8.89 5.55 0.00 2.77 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 80 V 8.64 3.84 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 0.79 0.00 0.00 0.89 0.00 0.00 81 V 7.78 4.28 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 -0.78 0.00 0.00 0.91 0.00 0.00 82 N 8.21 4.38 0.00 2.11 2.57 0.00 0.00 6.93 7.98 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 83 G 8.50 3.67 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 0.00 0.00 0.00 84 G 8.42 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 0.00 0.00 0.00 85 I 7.52 4.08 1.38 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 1.24 0.58 0.11 0.00 0.00 86 Y 7.39 4.87 0.00 2.95 2.84 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 87 R 8.58 4.31 0.00 1.85 1.94 0.00 3.31 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 88 H 8.72 4.68 0.00 3.23 3.50 0.00 5.47 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 89 E 7.51 3.58 0.00 1.29 1.63 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 2.13 2.14 0.00 90 F 7.19 4.28 0.00 3.13 3.05 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 91 V 7.79 3.64 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 1.00 0.00 0.00 0.76 0.00 0.00 92 A 7.82 3.97 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 93 S 8.55 4.03 0.00 3.84 4.10 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 94 A 8.24 4.02 1.54 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 95 V 8.40 3.50 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 1.07 0.00 0.00 1.05 0.00 0.00 96 I 7.87 3.71 2.00 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 1.51 0.75 0.90 0.00 0.00 97 D 8.50 4.48 0.00 2.73 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 98 G 8.41 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 99 M 7.94 4.00 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.50 0.00 100 M 7.65 3.97 0.00 2.27 2.06 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.60 0.00 101 N 8.30 4.23 0.00 2.83 2.94 0.00 0.00 6.83 8.53 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 0.00 102 V 7.91 3.50 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 0.96 0.00 0.00 0.91 0.00 0.00 103 Q 8.30 4.55 0.00 2.41 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.58 2.27 0.00 104 L 7.73 4.05 0.00 1.66 1.76 0.92 0.92 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 0.00 105 S 7.86 4.27 0.00 4.03 4.10 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 0.00 106 T 8.41 4.10 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 0.00 107 G 8.46 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 0.00 108 V 7.64 4.05 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 1.01 0.00 0.00 1.02 0.00 0.00 109 P 0.00 4.64 0.00 2.15 1.98 0.00 3.83 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 110 V 8.27 4.75 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 0.95 0.00 0.00 111 L 8.96 4.45 0.00 1.60 1.50 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.53 4.85 0.00 3.83 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 0.00 113 A 8.99 4.60 1.05 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 0.00 114 V 7.53 4.18 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 0.80 0.00 0.00 0.98 0.00 0.00 115 L 8.98 4.91 0.00 2.01 1.81 0.94 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 116 T 8.69 5.30 4.22 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 1.26 0.00 0.00 117 P 0.00 4.71 0.00 2.25 2.09 0.00 3.52 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.30 0.00 118 H 8.91 4.39 0.00 3.26 3.43 0.00 5.64 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.09 4.97 0.00 2.70 2.68 0.00 0.00 6.56 7.46 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 0.00 120 Y 8.59 4.61 0.00 2.58 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 0.00 121 H 7.45 4.56 0.00 2.80 3.07 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 6.16 3.94 0.00 2.88 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 0.00 123 S 6.92 4.79 0.00 4.05 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 0.00 124 A 8.49 3.99 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 0.00 125 E 8.14 4.02 0.00 2.07 2.04 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 2.42 2.49 0.00 126 H 8.05 4.31 0.00 3.36 3.28 0.00 5.83 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 0.00 127 H 8.99 4.47 0.00 3.42 3.60 0.00 5.59 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.68 4.01 0.00 1.96 2.26 0.00 3.19 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 129 F 8.99 3.91 0.00 3.21 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 0.00 130 F 8.74 4.34 0.00 3.21 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 0.00 131 F 8.40 3.98 0.00 3.10 3.27 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 0.00 132 E 8.32 4.07 0.00 2.07 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 2.48 2.70 0.00 133 H 8.26 3.95 0.00 2.50 3.12 0.00 5.59 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 8.37 3.98 0.00 3.10 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 0.00 135 T 7.82 3.97 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 1.10 0.00 0.00 136 V 7.49 3.46 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 0.94 0.00 0.00 0.81 0.00 0.00 137 K 7.83 3.99 0.00 1.48 1.53 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.27 7.81 138 G 8.10 3.62 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 0.00 0.00 0.00 139 K 7.98 4.04 0.00 1.80 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 140 E 8.06 4.13 0.00 2.13 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 2.29 2.53 0.00 141 A 8.13 3.97 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 0.00 142 A 8.27 3.91 1.17 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 0.00 0.00 143 R 7.99 3.82 0.00 1.87 2.23 0.00 3.11 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.89 0.00 144 A 8.17 3.95 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 0.00 145 C 8.47 4.02 0.00 3.10 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 0.00 146 V 7.98 3.35 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 0.96 0.00 0.00 0.44 0.00 0.00 147 E 8.41 3.97 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 2.32 2.35 0.00 148 I 8.17 3.63 1.92 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 1.54 1.47 1.02 0.00 0.00 149 L 7.86 4.02 0.00 1.99 1.85 1.16 1.60 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 0.00 150 A 7.86 3.99 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 0.00 151 A 8.72 4.10 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 0.00 152 R 8.40 3.93 0.00 2.03 2.01 0.00 3.18 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 153 E 7.86 4.06 0.00 2.09 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 2.27 2.25 0.00 154 K 7.62 4.35 0.00 1.83 1.90 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.66 7.81 155 I 7.61 3.87 1.98 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 1.16 0.55 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.