NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.6627 8.2827 119.2044 52.5352 40.4990 175.9703 7 E 3.6743 8.3313 121.8021 56.7822 31.3678 175.9097 8 S 4.5782 8.1670 112.8405 59.6963 65.2470 175.3965 9 E 4.1469 8.1510 117.8316 57.1407 29.5620 177.7105 10 I 4.1201 7.4606 113.0774 61.8868 39.3383 177.7907 11 I 3.7842 7.8582 115.8780 63.8225 37.3555 178.0995 12 E 4.0253 8.1118 120.1316 59.1369 29.0674 179.2409 13 R 3.9192 7.4099 118.3175 59.2684 29.9449 179.0645 14 L 3.8321 7.6604 117.3340 57.2034 41.6358 178.7554 15 N 4.5393 7.7084 116.8406 56.4144 39.1109 176.5028 16 S 4.5096 7.8012 112.0506 58.1815 63.5641 174.0143 17 A 4.1154 7.0965 126.6575 52.0201 18.1177 175.8354 18 P 4.5767 0.0000 0.0000 63.9559 32.0886 176.6756 19 S 4.6256 7.6875 112.4397 55.7918 66.7363 175.0697 20 V 3.4203 8.2388 121.8495 66.4635 31.0652 178.2551 21 R 4.1396 8.1035 116.9453 59.2502 29.9568 178.8358 22 G 3.7970 7.9186 104.9534 47.9785 0.0000 174.9527 23 F 4.0839 9.0396 124.6447 61.2737 39.4017 177.4013 24 F 4.0057 8.6712 117.0455 60.2216 38.6642 177.7849 25 I 3.7070 8.0246 119.4507 64.5209 36.9193 178.2912 26 A 3.9192 8.0421 121.6762 55.2283 18.0393 179.7299 27 T 3.3570 7.4366 108.6440 64.3492 68.8229 177.3420 28 V 3.8692 7.8794 121.7623 64.0498 31.6883 177.9357 29 D 4.4331 8.0883 119.9879 57.4238 40.6116 179.0550 30 V 3.4517 7.6333 118.3287 66.0140 31.4624 177.6986 31 F 4.5287 7.7538 117.6506 61.0255 38.9546 177.0985 32 N 4.3306 9.0387 117.6029 56.7376 38.7710 176.3954 33 E 4.1626 8.3211 118.4968 58.9093 30.1798 178.6314 34 S 4.1449 8.3746 116.5848 61.6635 62.9549 176.8667 35 I 3.8945 8.2954 115.7553 63.7049 37.1704 177.5565 36 D 4.4602 8.0176 119.9286 57.4383 40.9430 178.4287 37 G 3.8594 7.8208 103.2256 46.5332 0.0000 174.8316 38 L 4.1877 7.4685 121.9745 57.7273 42.2045 177.9498 39 I 3.7015 8.2141 118.7794 64.7237 37.6759 177.8280 40 Q 4.1540 8.5012 118.0776 58.7974 28.6015 178.4921 41 R 4.2208 8.0583 116.2429 58.4711 29.9900 178.2418 42 I 3.7526 7.8004 117.7892 61.9933 38.3702 175.3456 43 F 4.7296 7.0703 117.8155 55.4617 40.5936 175.8414 44 R 4.0340 8.7399 122.2176 57.0691 30.7980 177.5208 45 K 4.8858 8.3556 120.4094 55.2716 33.7850 174.1120 46 D 4.7349 7.5665 124.8040 52.5965 40.9618 179.2556 47 N 3.7652 8.9754 114.1822 52.5760 40.4962 172.7139 48 F 4.5848 8.5837 126.7511 61.1537 39.2596 177.5056 49 A 4.0949 8.4984 119.4199 55.6616 17.8984 179.7699 50 V 3.5873 7.6409 115.8560 66.0943 31.8027 177.7172 51 Q 3.5383 8.9462 119.6916 58.3480 28.6667 177.8028 52 S 4.1621 8.8811 114.9806 61.0481 62.5688 175.7080 53 V 3.8136 7.5661 120.4253 65.7186 31.6586 178.2898 54 V 3.4977 8.7281 119.3603 65.9766 31.2963 177.3829 55 G 3.7667 8.0186 104.9554 48.4516 0.0000 173.7435 56 P 5.0698 0.0000 0.0000 63.7709 31.5765 178.6072 57 L 3.8999 7.6196 119.5792 58.1815 41.4961 178.9510 58 L 4.0946 7.7265 118.5267 56.1013 41.8923 177.2522 59 Q 4.1260 7.5433 116.6934 55.8127 29.6466 177.3039 60 D 4.3382 8.6380 117.4207 57.7427 40.8523 179.1225 61 S 4.3028 8.0094 112.5109 60.0705 63.2864 174.7354 62 G 3.9478 7.8110 109.7489 43.4783 0.0000 172.8530 63 P 4.2452 0.0000 0.0000 65.2457 31.3101 177.7566 64 L 4.7327 7.6034 116.6307 54.6287 42.2666 178.7233 65 G 4.0196 8.0672 109.1894 47.6853 0.0000 175.3934 66 D 4.5010 7.8929 120.6403 53.4320 41.8273 176.6613 67 L 3.9663 8.7844 125.3264 58.7344 42.0015 179.5522 68 S 4.1226 8.0100 112.2751 61.2625 62.4531 175.7757 69 V 3.6561 7.9380 120.8283 66.1008 31.1516 177.5920 70 R 4.2906 8.0971 114.2167 57.8895 29.6755 178.5445 71 L 4.1523 8.5447 121.0598 57.5590 41.7323 178.9992 72 K 3.9662 8.4732 118.9720 59.5899 32.0444 179.0962 73 L 3.9578 7.9704 120.3478 58.1858 42.0998 178.8884 74 L 3.9596 7.8224 118.6633 57.6285 41.5001 179.4537 75 F 4.2335 8.3856 120.8020 61.3051 39.1474 177.6446 76 G 3.3347 7.6856 103.7239 47.3562 0.0000 175.2087 77 L 4.1025 7.7525 120.0522 55.8734 41.7394 178.0807 78 G 3.8505 7.6236 106.7181 44.9907 0.0000 174.7657 79 V 3.6509 7.4559 119.3661 65.1660 31.7066 176.2084 80 L 4.6500 7.6022 118.5103 52.4724 43.1243 175.3006 81 P 4.5026 0.0000 0.0000 62.2343 33.3304 176.8190 82 D 4.4694 8.9555 121.7276 57.8947 40.8342 178.9456 83 D 4.1897 8.2178 118.9370 56.8764 39.1441 178.7968 84 I 3.8718 7.6975 113.7237 62.6501 37.8399 177.3066 85 Y 3.9221 8.0065 121.7994 60.8887 37.9604 177.6157 86 H 3.6446 7.9471 116.9166 58.7918 28.7640 177.1547 87 D 4.4578 7.8122 120.5830 57.6962 40.7498 179.1364 88 I 3.2086 7.2214 119.3771 64.2429 37.0311 177.7101 89 E 3.6775 7.7324 120.0198 59.5759 29.3064 178.4835 90 D 4.3042 9.1351 119.0108 57.5439 40.9235 179.2057 91 I 3.9419 8.5912 113.7329 63.6535 37.4335 178.5001 92 I 3.7465 7.7622 122.0903 64.2902 36.9294 177.9849 93 K 3.7560 8.0325 119.5583 59.6534 31.8967 178.9187 94 L 3.6433 7.5114 119.5678 57.9588 42.0435 178.7026 95 K 3.8336 8.1262 119.7239 59.7128 31.8286 178.4505 96 N 4.3546 8.2057 115.9370 56.4475 38.7108 176.5111 97 H 4.3028 8.4045 118.0345 59.2560 28.8845 177.4210 98 L 4.0634 8.0073 120.1458 58.0804 41.3721 178.9868 99 N 4.7036 8.0871 112.8926 54.4212 38.5672 175.7431 100 S 4.6527 7.8962 115.6490 57.8659 63.7175 172.9799 101 D 4.8344 7.9193 120.6325 52.0403 42.5384 176.0136 102 A 4.0857 8.6820 129.4558 54.0725 18.7514 177.0457 103 S 4.4285 8.1209 112.7978 56.9600 64.0944 173.7073 104 D 4.2217 8.1152 124.5834 53.9065 41.3763 175.4940 105 Y 4.9494 7.8465 120.7815 56.1313 41.1279 174.1239 106 E 4.6732 8.9477 119.5244 54.3685 32.7937 176.2775 107 F 4.3684 8.8475 122.9067 60.7189 39.0466 176.4205 108 T 4.3349 7.8821 107.7799 62.0294 69.4792 175.2098 109 D 4.6208 8.5364 124.1006 53.5783 42.9176 175.4082 110 P 4.2898 0.0000 0.0000 65.9534 31.4472 178.3907 111 N 4.3065 8.0324 114.9779 54.6656 36.8446 175.8855 112 I 4.1593 7.2396 121.1856 63.0585 38.6373 177.3636 113 L 4.0822 8.3198 121.4371 57.9245 41.7489 178.4683 114 E 3.9369 7.8429 117.4958 59.3072 29.8052 177.5221 115 P 4.4150 0.0000 0.0000 65.3094 30.9530 178.7483 116 I 3.8956 7.6362 111.8272 63.8420 37.3128 177.9726 117 K 4.2138 8.5160 118.4570 57.6537 31.9561 178.0891 118 K 4.1718 7.7471 119.3790 56.7287 32.8729 176.7431 119 L 4.1979 7.0395 118.4949 54.8803 42.4515 177.9518 120 H 4.2095 9.8204 119.7285 58.6280 28.2990 178.2795 121 L 4.1455 7.9888 119.7680 57.3712 41.9533 178.8421 122 V 3.7441 7.7640 116.7365 65.6634 31.4953 177.9655 123 K 4.1718 7.6166 117.8541 59.2521 32.0364 178.4249 124 K 4.0658 7.5008 115.6032 57.0316 31.6345 176.3195 *126 G 3.5158 7.8667 105.6754 45.0694 0.0000 172.9561 *128 V 3.8630 8.2092 124.1513 62.7261 32.9277 174.8982 129 Q 4.5129 7.6257 123.0258 58.4312 31.8065 171.0299 130 L 4.3377 7.9541 116.1181 57.8226 43.3422 172.2629 131 E 4.7510 8.3500 111.6251 55.8903 31.3536 176.4971 132 V 3.7072 8.6071 117.0979 61.5257 32.2860 174.8143 133 N 5.0580 8.4527 121.4333 52.6571 41.0467 172.8110 134 E 4.2839 7.8957 128.0598 55.4133 35.1780 175.3539 135 P 3.9127 0.0000 0.0000 62.9041 31.5214 175.2895 136 D 4.5901 7.6951 116.0962 57.2337 42.4896 178.0787 137 D 4.7908 7.4313 122.4584 54.2291 41.8440 174.3020 138 D 4.8789 8.3866 127.2961 53.7328 44.1383 174.3682 139 I 3.2726 8.3281 116.7339 61.4946 35.5998 172.8594 140 D 4.7203 7.6869 116.1742 53.6365 46.9453 176.4925 141 L 4.1526 8.0116 120.4354 58.8068 42.0943 177.1493 142 E 4.0188 8.6915 118.3258 58.4538 29.0992 178.6361 143 F 4.4550 8.1831 119.8975 62.1990 40.0415 177.4880 144 Y 3.9946 7.9356 118.2753 60.1823 38.4748 177.0310 145 Q 3.7358 8.2309 120.7317 59.3717 29.2105 178.6007 146 L 3.9718 7.8153 119.2713 57.8465 41.3650 179.6487 147 Q 3.9220 7.5500 117.0685 58.7772 28.9054 178.3900 148 L 3.8962 7.5543 119.9291 57.8484 41.5792 179.1661 149 Q 3.8413 8.0803 119.5246 59.5902 28.7688 179.4314 150 R 4.0457 7.8498 119.3055 59.3584 30.0624 178.6080 151 Q 3.9382 8.5271 118.2280 58.8881 28.8298 178.0041 152 Q 3.9997 8.1414 118.8977 59.4227 28.8056 179.5307 153 Q 4.0153 7.8461 117.7761 59.0825 28.3682 178.2814 154 I 3.7242 7.3210 120.4103 63.3954 38.0906 177.5265 155 I 3.5053 8.0682 120.0641 63.6220 37.7806 177.4887 156 K 2.5172 7.8819 120.7457 59.4819 31.6265 178.7349 157 S 4.1194 7.4967 113.7064 61.4671 62.9767 176.8132 158 G 3.6298 8.1100 108.6568 47.7592 0.0000 175.2055 159 L 3.9938 7.7662 123.6398 57.9741 41.9473 179.2971 160 S 4.2152 7.9278 114.7653 61.5062 62.6529 176.4819 161 L 3.9103 7.9267 122.6793 58.0735 41.7893 178.7223 162 A 4.0365 8.0519 120.1662 55.3554 18.3264 179.5671 163 I 3.8570 8.1328 118.5962 64.6691 37.2828 179.1481 164 V 3.6646 7.9728 120.0822 64.5787 31.1338 177.8535 165 E 3.8929 8.5340 120.2564 59.2719 29.5196 178.6313 166 I 3.7584 8.0737 119.9821 64.9639 37.1107 178.1591 167 C 4.2749 8.2921 117.2250 62.8566 27.7671 175.5421 168 N 4.5399 8.0596 117.0402 55.5610 38.6915 176.2946 169 E 4.1239 7.9618 120.5801 59.4882 29.7343 178.0452 170 L 4.0188 7.7452 117.7550 57.7411 41.7337 179.1457 171 G 3.8929 7.5335 102.2247 45.7476 0.0000 174.1534 172 K 4.2762 8.0861 126.2165 56.7830 32.3779 176.1080 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 N 8.28 4.66 0.00 2.82 2.65 0.00 0.00 6.68 6.77 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 7 E 8.33 3.67 0.00 2.05 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 2.31 0.00 8 S 8.17 4.58 0.00 4.03 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.15 4.15 0.00 2.16 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 0.00 2.35 2.29 0.00 10 I 7.46 4.12 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.62 0.87 0.00 0.00 11 I 7.86 3.78 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 1.51 0.67 0.90 0.00 0.00 12 E 8.11 4.03 0.00 1.99 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 2.53 2.33 0.00 13 R 7.41 3.92 0.00 1.87 1.89 0.00 3.09 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 14 L 7.66 3.83 0.00 1.71 2.01 0.86 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.71 4.54 0.00 2.97 2.85 0.00 0.00 7.22 8.91 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 16 S 7.80 4.51 0.00 4.10 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 17 A 7.10 4.12 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.58 0.00 2.08 2.13 0.00 3.76 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 19 S 7.69 4.63 0.00 3.99 3.93 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 0.00 0.00 0.00 0.00 20 V 8.24 3.42 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 1.09 0.00 0.00 0.04 0.00 0.00 21 R 8.10 4.14 0.00 1.92 2.02 0.00 3.19 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 22 G 7.92 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 23 F 9.04 4.08 0.00 3.25 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 24 F 8.67 4.01 0.00 3.29 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 25 I 8.02 3.71 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.94 0.91 0.00 0.00 26 A 8.04 3.92 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 27 T 7.44 3.36 3.50 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 -0.05 0.00 0.00 28 V 7.88 3.87 2.28 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 1.04 0.00 0.00 1.01 0.00 0.00 29 D 8.09 4.43 0.00 2.95 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 30 V 7.63 3.45 1.83 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 0.89 0.00 0.00 0.76 0.00 0.00 31 F 7.75 4.53 0.00 3.27 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 32 N 9.04 4.33 0.00 2.92 3.00 0.00 0.00 7.02 7.53 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 33 E 8.32 4.16 0.00 2.27 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 0.00 2.60 2.34 0.00 34 S 8.37 4.14 0.00 4.10 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 35 I 8.30 3.89 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.25 1.02 0.00 0.00 36 D 8.02 4.46 0.00 3.02 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.82 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 38 L 7.47 4.19 0.00 1.87 1.77 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.21 3.70 2.07 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 1.76 1.39 1.06 0.00 0.00 40 Q 8.50 4.15 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.76 0.00 41 R 8.06 4.22 0.00 1.97 2.08 0.00 3.07 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.63 0.00 42 I 7.80 3.75 1.92 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.97 0.59 0.00 0.00 43 F 7.07 4.73 0.00 3.08 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 44 R 8.74 4.03 0.00 1.89 2.06 0.00 3.33 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 45 K 8.36 4.89 0.00 1.81 1.81 0.00 1.83 0.00 0.00 1.93 0.00 0.00 3.06 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.30 1.36 7.81 46 D 7.57 4.73 0.00 2.66 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 0.00 0.00 0.00 47 N 8.98 3.77 0.00 2.80 2.70 0.00 0.00 6.87 7.71 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 48 F 8.58 4.58 0.00 3.17 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.50 4.09 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 50 V 7.64 3.59 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 1.06 0.00 0.00 0.98 0.00 0.00 51 Q 8.95 3.54 0.00 2.53 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.60 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 52 S 8.88 4.16 0.00 3.80 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 0.00 53 V 7.57 3.81 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 0.93 0.00 0.00 0.94 0.00 0.00 54 V 8.73 3.50 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 0.70 0.00 0.00 0.94 0.00 0.00 55 G 8.02 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 0.00 0.00 0.00 56 P 0.00 5.07 0.00 2.14 2.19 0.00 4.01 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.97 0.00 57 L 7.62 3.90 0.00 1.79 1.63 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.73 4.09 0.00 1.87 1.62 0.72 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 7.54 4.13 0.00 2.24 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.82 0.00 0.00 0.00 0.00 0.00 2.49 2.33 0.00 60 D 8.64 4.34 0.00 2.73 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.01 4.30 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 62 G 7.81 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 63 P 0.00 4.25 0.00 2.06 2.16 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 64 L 7.60 4.73 0.00 1.76 1.72 1.09 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.07 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 0.00 0.00 0.00 66 D 7.89 4.50 0.00 2.75 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 67 L 8.78 3.97 0.00 1.80 1.71 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.01 4.12 0.00 3.94 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 69 V 7.94 3.66 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 1.13 0.00 0.00 0.97 0.00 0.00 70 R 8.10 4.29 0.00 2.18 2.34 0.00 3.04 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 1.74 0.00 71 L 8.54 4.15 0.00 2.02 2.06 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.47 3.97 0.00 2.19 1.93 0.00 1.96 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.64 7.81 73 L 7.97 3.96 0.00 1.81 1.84 0.92 0.86 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 74 L 7.82 3.96 0.00 1.84 1.74 0.97 1.39 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 75 F 8.39 4.23 0.00 2.52 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 76 G 7.69 3.33 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 0.00 77 L 7.75 4.10 0.00 1.60 1.64 0.87 0.71 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 78 G 7.62 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 0.00 0.00 0.00 79 V 7.46 3.65 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 0.78 0.00 0.00 0.87 0.00 0.00 80 L 7.60 4.65 0.00 1.84 1.70 1.04 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.50 0.00 2.19 2.00 0.00 3.67 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 2.14 2.20 0.00 82 D 8.96 4.47 0.00 2.78 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 83 D 8.22 4.19 0.00 2.90 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 84 I 7.70 3.87 1.84 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 1.54 0.54 0.92 0.00 0.00 85 Y 8.01 3.92 0.00 2.90 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 86 H 7.95 3.64 0.00 3.19 3.23 0.00 5.89 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 87 D 7.81 4.46 0.00 2.76 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 88 I 7.22 3.21 1.52 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.76 0.48 0.00 0.00 89 E 7.73 3.68 0.00 1.36 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 1.97 2.22 0.00 90 D 9.14 4.30 0.00 2.88 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 91 I 8.59 3.94 2.25 0.00 0.00 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 1.90 0.84 1.15 0.00 0.00 92 I 7.76 3.75 1.98 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 1.61 0.79 0.92 0.00 0.00 93 K 8.03 3.76 0.00 1.78 1.70 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.56 7.81 94 L 7.51 3.64 0.00 1.60 1.54 0.81 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.13 3.83 0.00 1.97 1.98 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.86 7.81 96 N 8.21 4.35 0.00 2.85 2.88 0.00 0.00 7.05 8.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 H 8.40 4.30 0.00 3.28 3.32 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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4.67 0.00 2.04 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 2.51 2.29 0.00 107 F 8.85 4.37 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.88 4.33 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 1.23 0.00 0.00 109 D 8.54 4.62 0.00 2.78 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 0.00 110 P 0.00 4.29 0.00 2.22 2.28 0.00 3.66 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 2.01 2.00 0.00 111 N 8.03 4.31 0.00 2.58 2.77 0.00 0.00 5.91 7.81 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 0.00 112 I 7.24 4.16 2.12 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.20 1.07 0.00 0.00 113 L 8.32 4.08 0.00 2.00 1.84 0.94 1.02 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 0.00 114 E 7.84 3.94 0.00 2.05 2.00 0.00 0.00 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0.00 0.95 0.00 0.00 133 N 8.45 5.06 0.00 2.72 2.73 0.00 0.00 6.85 7.65 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 0.00 134 E 7.90 4.28 0.00 1.89 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 135 P 0.00 3.91 0.00 2.01 1.40 0.00 3.43 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.63 0.00 136 D 7.70 4.59 0.00 2.63 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 0.00 137 D 7.43 4.79 0.00 2.64 2.25 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 0.00 138 D 8.39 4.88 0.00 2.58 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 0.00 139 I 8.33 3.27 1.88 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 1.32 0.83 0.92 0.00 0.00 140 D 7.69 4.72 0.00 2.70 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 0.00 141 L 8.01 4.15 0.00 1.81 1.70 1.07 1.03 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 0.00 142 E 8.69 4.02 0.00 2.11 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 2.37 0.00 143 F 8.18 4.45 0.00 3.04 3.29 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 0.00 144 Y 7.94 3.99 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.23 3.74 0.00 2.54 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.57 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 146 L 7.82 3.97 0.00 2.03 1.76 0.99 0.69 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 0.00 147 Q 7.55 3.92 0.00 1.75 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.95 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 148 L 7.55 3.90 0.00 1.59 1.54 0.73 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 8.08 3.84 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 150 R 7.85 4.05 0.00 2.06 2.07 0.00 3.15 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 151 Q 8.53 3.94 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.48 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 152 Q 8.14 4.00 0.00 2.11 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.53 2.67 0.00 153 Q 7.85 4.02 0.00 2.17 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.32 0.00 154 I 7.32 3.72 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.40 0.89 0.00 0.00 155 I 8.07 3.51 1.81 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 1.58 0.65 0.93 0.00 0.00 156 K 7.88 2.52 0.00 1.13 1.52 0.00 1.58 0.00 0.00 1.45 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.71 0.21 7.81 157 S 7.50 4.12 0.00 4.01 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 0.00 158 G 8.11 3.63 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 0.00 0.00 0.00 159 L 7.77 3.99 0.00 1.77 1.63 1.11 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 160 S 7.93 4.22 0.00 4.09 3.94 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 0.00 161 L 7.93 3.91 0.00 1.93 1.91 0.92 1.08 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 0.00 162 A 8.05 4.04 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 0.00 163 I 8.13 3.86 2.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.08 0.57 0.00 0.00 164 V 7.97 3.66 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 0.86 0.00 0.00 0.97 0.00 0.00 165 E 8.53 3.89 0.00 2.11 2.28 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 2.34 2.44 0.00 166 I 8.07 3.76 2.33 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 1.56 0.78 0.96 0.00 0.00 167 C 8.29 4.27 0.00 3.18 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 0.00 168 N 8.06 4.54 0.00 2.74 3.11 0.00 0.00 7.20 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 0.00 169 E 7.96 4.12 0.00 2.22 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 2.31 2.40 0.00 170 L 7.75 4.02 0.00 1.90 1.81 0.99 1.00 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 0.00 171 G 7.53 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 0.00 0.00 0.00 172 K 8.09 4.28 0.00 2.01 1.72 0.00 2.02 0.00 0.00 1.75 0.00 0.00 3.20 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.