NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.5169 7.9332 110.3188 61.6939 70.1544 171.9926 3 I 5.1530 7.5845 120.5464 57.9067 40.3623 173.6928 *5 L 4.1088 8.2506 121.2651 55.3947 43.7404 176.0380 6 T 4.6127 8.1227 113.3039 59.9861 70.9330 172.2436 7 P 5.0788 0.0000 0.0000 62.4596 32.6003 175.5176 *9 Q 4.1495 8.6406 116.6021 55.6272 30.2645 175.8361 10 T 3.9320 8.4125 113.4853 65.6487 67.3047 176.2324 11 E 4.0249 8.1670 120.0237 59.1805 29.2734 178.6145 12 E 4.0023 8.2449 118.9763 59.4455 29.7271 178.4360 13 F 4.4237 8.7088 120.9747 61.2873 38.8847 177.0908 14 R 3.6264 7.9754 118.3055 59.5906 29.9159 178.8112 15 S 4.1167 8.1890 114.9733 61.4798 62.7653 176.0471 16 Y 3.9995 9.1021 123.1736 60.7354 38.5499 177.6754 17 L 2.8783 7.8013 121.5059 58.4589 41.8397 178.8979 18 T 3.6949 7.2394 115.0389 66.4823 68.1351 176.0244 19 Y 4.1005 8.2848 121.6051 60.4163 38.7153 177.8438 20 T 3.6750 7.3109 113.1115 63.8955 67.7579 176.5872 21 T 3.8664 7.4414 117.9160 66.1157 68.4744 176.5630 22 K 4.1213 7.9091 121.8433 59.4119 32.2542 178.4515 23 H 4.1256 7.5318 118.5339 59.2351 29.6857 176.5211 24 Y 4.2197 8.5780 120.7413 59.8337 38.4713 177.2924 25 A 4.4297 7.5661 121.5720 54.5951 19.4196 178.9258 26 E 3.8796 7.9781 117.5101 58.9678 29.7378 178.6922 27 E 3.6733 7.8242 118.6798 58.5465 29.5644 178.8574 28 K 3.6195 7.2307 117.9291 58.3013 31.8627 179.2294 29 V 4.1241 7.2254 119.9776 64.2318 31.6639 177.1466 30 K 4.2087 7.5612 114.9676 57.2412 32.0583 177.1191 31 A 4.6683 7.7601 118.2209 52.0194 20.1054 177.5349 32 G 3.9947 8.2748 105.6344 45.7239 0.0000 175.2762 33 T 4.0608 7.0958 115.9923 65.9038 68.5193 174.0367 34 W 5.1743 8.1730 120.2554 54.4661 32.3045 175.2165 35 L 4.2810 8.3810 121.4410 53.8715 41.8938 176.3530 36 P 4.2909 0.0000 0.0000 65.4799 31.3368 176.6929 37 E 4.6719 8.0098 113.8735 56.1450 30.2079 176.3868 38 D 4.4800 8.3568 118.7549 54.9486 44.5229 176.9568 39 A 4.0271 7.9368 119.5697 55.9307 17.6831 179.1045 40 Q 3.9594 8.1609 114.2556 59.1727 28.8840 179.6422 41 L 3.8537 7.7584 120.2546 57.5052 42.2001 178.5838 42 L 3.8385 7.4832 119.1213 57.1215 41.2866 179.2072 43 S 4.6159 8.4777 115.7071 61.8227 62.8496 176.5383 44 K 3.9767 7.6529 121.7333 59.8187 31.9235 178.4738 45 Q 4.0284 7.6960 119.5676 58.5214 28.9764 178.3976 46 V 3.5183 8.0258 119.5183 66.1654 31.6316 178.1374 47 F 4.4000 8.5041 117.9824 60.4075 38.4434 177.8788 48 T 4.0707 8.3773 109.9627 64.6680 68.4833 176.5748 49 D 4.3972 7.9332 120.9327 56.7801 40.9147 178.2943 50 L 4.1754 7.6795 118.6458 56.1024 43.3615 177.5137 51 L 4.7387 7.6959 117.7019 52.5097 41.5063 175.4297 52 P 4.4107 0.0000 0.0000 64.8779 32.1989 177.9570 53 R 4.6309 7.9423 117.4641 56.1860 31.8301 177.4568 54 G 4.1489 7.7206 110.5780 46.7102 0.0000 177.2348 55 L 3.5949 7.7536 122.6621 56.2401 41.4834 177.1242 56 E 4.2803 7.9991 117.7541 56.0924 29.9841 176.2419 57 T 3.8730 7.6481 118.5022 62.5917 68.6332 172.0948 58 P 4.2281 0.0000 0.0000 64.7479 31.6162 176.4263 59 H 4.2718 8.8128 116.3788 56.3356 26.6778 173.4220 60 H 5.5100 7.9227 116.7512 54.5596 30.3810 174.1667 61 H 4.4309 9.8173 120.9272 53.9875 30.9615 172.8566 62 L 4.9548 8.0277 123.7935 52.7520 43.1997 176.2707 63 W 5.3584 9.6102 123.6035 55.0800 33.3993 174.6530 64 S 5.1532 9.2558 119.4323 57.4742 64.7933 173.2261 65 L 4.5636 9.3607 124.7534 53.6294 43.2101 175.6572 66 K 4.6539 8.5524 123.3581 54.7533 34.4423 176.8482 67 L 4.4046 8.0327 125.1171 55.7338 43.1517 175.7037 68 N 4.8862 7.2175 113.3321 51.6261 40.0531 174.2743 69 E 4.1764 8.6440 114.2930 56.9246 29.0395 177.6317 70 K 4.3536 7.7286 122.0037 57.4670 33.2576 175.8866 71 D 4.5388 7.5189 115.3649 52.4363 42.1446 174.1059 72 I 4.5133 8.0424 121.4762 60.0695 38.5166 176.4632 73 V 3.5594 8.6690 120.0658 64.2120 32.7127 175.8468 74 G 4.4055 7.6563 106.0995 45.4764 0.0000 171.9335 75 W 5.9665 8.2339 116.6991 55.1930 32.4795 174.2709 76 L 5.3864 9.3561 122.9329 53.9368 45.6070 174.0723 77 W 5.7425 10.1385 135.0000 55.7932 33.5107 173.9378 78 I 5.2066 9.2192 120.4216 59.3702 41.2092 173.9414 79 H 5.2730 9.4244 122.8573 54.6944 32.5341 172.4221 80 A 4.6210 8.6330 129.4987 50.0864 18.3334 175.1417 81 E 3.9010 8.1803 121.4126 56.2730 30.7796 174.6729 82 P 4.1904 0.0000 0.0000 64.1906 31.7118 175.6769 83 E 3.7291 8.8753 119.6933 57.4199 27.0365 173.8777 84 H 4.2034 7.9806 119.7197 55.4576 30.0040 174.0812 85 P 3.9289 0.0000 0.0000 65.6317 30.9671 176.8110 86 Q 4.4963 8.2566 114.9391 55.1464 29.6200 175.6188 87 Q 3.2004 8.8064 117.2764 56.7161 27.3617 173.4014 88 E 5.0057 7.3378 115.5396 54.9722 33.0512 175.6448 89 A 5.0490 8.9330 122.6198 50.1943 22.5499 174.8046 90 F 4.8094 8.9549 123.4872 56.8071 41.5285 175.1453 91 I 4.3402 7.5792 128.1810 60.3182 36.0767 175.2283 92 Y 4.1947 8.2627 126.3604 60.6827 38.3290 175.9918 93 D 5.0712 8.0373 116.0067 53.7097 45.0008 174.3000 94 F 5.2449 8.8953 123.9862 57.8312 42.3822 173.0408 95 G 2.9673 6.1867 111.2696 45.3052 0.0000 171.8425 96 L 4.8778 7.5323 119.2790 52.4008 45.0849 176.5398 97 Y 4.3738 9.1344 119.8432 57.8678 38.9441 176.7468 98 E 4.0050 9.2166 125.4864 58.9812 29.8485 177.6690 99 P 4.2712 0.0000 0.0000 64.8704 31.2291 176.0247 100 Y 5.0198 8.4534 117.5346 57.7779 38.6506 175.1177 101 R 4.5218 8.0034 119.1327 55.7534 32.4210 175.6082 102 G 3.8521 8.8364 110.6795 45.9563 0.0000 174.1577 103 K 4.0607 7.6244 118.4383 55.3519 33.6488 177.2854 104 G 4.0891 7.9813 106.5846 45.4822 0.0000 174.9709 105 Y 4.5267 7.6967 118.4870 60.4580 37.7661 177.8099 106 A 4.1844 8.0540 121.7616 55.2372 18.5917 179.4137 107 K 3.9847 8.1083 117.6087 59.6597 31.9788 178.8553 108 Q 4.0143 7.9466 116.8602 58.8824 28.5930 178.5221 109 A 4.0480 8.6332 122.1211 55.3881 18.4078 179.7754 110 L 3.8203 8.2512 117.1237 57.5863 41.6097 179.6800 111 A 3.9471 8.0525 120.8979 55.0380 18.3019 179.5594 112 A 3.8974 8.2663 119.7271 54.8478 18.2762 179.7564 113 L 3.7310 8.0808 119.4335 58.4968 42.2428 178.8165 114 D 4.2306 8.2259 119.0476 57.4741 40.8105 178.7702 115 Q 3.8916 8.1456 119.7856 58.9626 28.8316 178.1278 116 A 3.9241 8.0137 122.0157 54.3954 18.6223 178.9995 117 A 4.1281 8.6332 119.8908 55.4479 18.2476 179.7019 118 R 3.8589 7.6928 115.8937 59.3336 30.1466 179.8590 119 S 4.4877 8.0111 115.0715 58.1026 62.7818 175.6235 *121 G 3.9017 7.9214 109.0936 46.0266 0.0000 173.2408 122 I 4.1359 8.0183 122.0292 61.1904 37.2500 175.8839 123 R 4.5633 8.5857 123.9030 55.8384 30.9630 176.1309 124 K 4.5915 7.5739 119.9137 55.0492 35.7958 174.3463 125 L 5.3507 8.3004 124.9783 53.1495 45.1899 175.6113 126 S 4.9456 8.7499 116.1553 57.0784 66.5625 172.1804 127 L 3.3677 7.8953 122.3213 55.0863 42.8643 173.2987 128 H 4.8753 8.0580 118.4060 54.3893 32.4959 173.3889 129 V 4.2493 7.3271 122.5036 60.3416 33.8316 173.7208 130 F 3.9723 8.5776 123.2346 57.3957 39.4202 176.2672 131 A 4.0361 8.5622 126.5550 55.4641 18.3745 178.9006 132 H 4.3673 7.9802 109.7710 57.7467 29.7159 175.5913 133 N 4.7735 7.7751 122.4078 52.5356 37.4589 175.4750 134 Q 4.1145 7.8717 121.0605 58.7605 29.4203 178.4293 135 T 3.7935 7.9490 110.5089 64.9205 68.7329 176.0791 136 A 3.5665 8.0529 124.0990 54.1652 18.3430 179.4662 137 R 4.0075 7.8140 116.3692 59.5893 30.1878 179.1985 138 K 3.9103 8.0468 117.7282 59.5115 32.1186 178.8433 139 L 3.9061 7.5959 120.0205 58.6386 41.8477 178.7413 140 Y 4.4061 8.1150 116.5915 61.3716 37.7011 178.5244 141 E 4.9377 8.5471 120.9085 59.1135 29.2882 179.4575 142 Q 4.1641 8.4687 118.2215 58.2986 28.7164 177.4940 143 T 4.5574 7.7358 109.4322 61.5161 69.4789 175.8651 144 G 3.9119 7.9606 109.7373 45.6545 0.0000 174.5847 145 F 4.1683 8.2950 118.9618 57.3711 39.6664 174.2814 146 Q 4.8156 8.2841 122.8119 54.2118 32.0126 174.3917 147 E 4.1728 8.8569 124.2554 57.1776 30.0765 177.0294 148 T 4.5701 8.3977 109.5900 61.9241 71.0965 173.6983 149 D 4.8701 7.8016 118.7784 52.4829 44.9838 174.6188 150 V 4.3544 8.0691 119.8350 61.3249 34.5520 174.6256 151 V 4.2101 8.0852 125.6225 60.8775 33.9591 174.2898 *153 S 4.3116 8.0931 116.1774 58.1929 63.7854 173.0336 154 K 4.5369 8.0931 120.5351 55.0187 34.9328 175.2154 155 K 4.4119 8.5304 125.4850 55.6259 33.2855 176.5519 156 L 4.2329 8.6583 124.0090 56.6012 42.3836 176.5284 157 L 4.2948 7.7370 122.8141 55.0276 42.1980 175.6103 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 T 7.93 4.52 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 1.19 0.00 0.00 3 I 7.58 5.15 1.84 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 0.88 0.00 0.00 *5 L 8.25 4.11 0.00 1.01 0.81 0.74 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.12 4.61 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 1.33 0.00 0.00 7 P 0.00 5.08 0.00 2.17 2.07 0.00 3.95 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 *9 Q 8.64 4.15 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.74 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 10 T 8.41 3.93 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 1.24 0.00 0.00 11 E 8.17 4.02 0.00 2.05 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 2.42 2.32 0.00 12 E 8.24 4.00 0.00 2.09 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 2.46 2.42 0.00 13 F 8.71 4.42 0.00 3.11 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 14 R 7.98 3.63 0.00 2.13 2.09 0.00 3.14 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 15 S 8.19 4.12 0.00 4.09 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 16 Y 9.10 4.00 0.00 2.91 3.06 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 17 L 7.80 2.88 0.00 0.78 1.04 0.38 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.24 3.69 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 1.17 0.00 0.00 19 Y 8.28 4.10 0.00 3.03 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 20 T 7.31 3.68 3.24 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 0.01 0.00 0.00 21 T 7.44 3.87 4.08 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 1.35 0.00 0.00 22 K 7.91 4.12 0.00 1.77 1.70 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.57 7.81 23 H 7.53 4.13 0.00 2.90 3.31 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.58 4.22 0.00 3.61 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 25 A 7.57 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 26 E 7.98 3.88 0.00 2.14 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 2.25 2.45 0.00 27 E 7.82 3.67 0.00 1.16 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 1.97 2.15 0.00 28 K 7.23 3.62 0.00 1.54 1.43 0.00 0.61 0.00 0.00 1.00 0.00 0.00 2.27 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.37 0.21 7.81 29 V 7.23 4.12 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 1.26 0.00 0.00 1.14 0.00 0.00 30 K 7.56 4.21 0.00 1.78 1.48 0.00 1.62 0.00 0.00 1.35 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.22 1.32 7.81 31 A 7.76 4.67 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 32 G 8.27 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 0.00 0.00 0.00 33 T 7.10 4.06 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 1.00 0.00 0.00 34 W 8.17 5.17 0.00 3.34 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 35 L 8.38 4.28 0.00 1.73 1.73 0.97 1.08 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 36 P 0.00 4.29 0.00 2.04 2.15 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 37 E 8.01 4.67 0.00 2.06 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 2.20 2.25 0.00 38 D 8.36 4.48 0.00 2.83 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.94 4.03 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 40 Q 8.16 3.96 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.49 2.41 0.00 41 L 7.76 3.85 0.00 1.69 1.70 0.88 0.61 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 42 L 7.48 3.84 0.00 0.27 0.13 -0.70 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.48 4.62 0.00 4.06 4.46 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 44 K 7.65 3.98 0.00 1.67 1.83 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.47 7.81 45 Q 7.70 4.03 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.21 0.00 46 V 8.03 3.52 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 0.46 0.00 0.00 1.28 0.00 0.00 47 F 8.50 4.40 0.00 3.10 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 48 T 8.38 4.07 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 1.32 0.00 0.00 49 D 7.93 4.40 0.00 2.88 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 50 L 7.68 4.18 0.00 1.90 1.81 0.52 0.60 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 51 L 7.70 4.74 0.00 1.97 1.60 0.80 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.41 0.00 2.03 2.12 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 2.03 2.20 0.00 53 R 7.94 4.63 0.00 1.91 1.84 0.00 3.25 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 54 G 7.72 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 55 L 7.75 3.59 0.00 1.27 1.41 0.76 0.41 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 56 E 8.00 4.28 0.00 1.97 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 2.17 2.34 0.00 57 T 7.65 3.87 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 1.24 0.00 0.00 58 P 0.00 4.23 0.00 1.95 1.98 0.00 3.85 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 2.03 2.00 0.00 59 H 8.81 4.27 0.00 3.51 3.64 0.00 5.60 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 60 H 7.92 5.51 0.00 3.25 3.45 0.00 5.60 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 61 H 9.82 4.43 0.00 2.29 1.85 0.00 5.78 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.03 4.95 0.00 1.21 1.41 0.46 0.48 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 63 W 9.61 5.36 0.00 3.38 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 64 S 9.26 5.15 0.00 3.87 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 65 L 9.36 4.56 0.00 1.64 1.61 1.04 0.59 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 66 K 8.55 4.65 0.00 1.63 1.61 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.40 7.81 67 L 8.03 4.40 0.00 0.97 1.37 0.73 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 68 N 7.22 4.89 0.00 2.89 2.81 0.00 0.00 6.26 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 69 E 8.64 4.18 0.00 1.96 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 2.29 2.22 0.00 70 K 7.73 4.35 0.00 1.73 1.97 0.00 1.89 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.50 7.81 71 D 7.52 4.54 0.00 2.74 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 72 I 8.04 4.51 1.94 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 1.44 0.61 1.10 0.00 0.00 73 V 8.67 3.56 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 -0.13 0.00 0.00 0.84 0.00 0.00 74 G 7.66 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 75 W 8.23 5.97 0.00 3.05 3.19 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 76 L 9.36 5.39 0.00 2.00 1.95 1.51 1.06 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 77 W 10.14 5.74 0.00 3.57 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 9.22 5.21 1.95 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.83 1.10 0.00 0.00 79 H 9.42 5.27 0.00 3.53 3.37 0.00 5.77 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 80 A 8.63 4.62 1.27 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 0.00 0.00 81 E 8.18 3.90 0.00 2.14 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 0.00 2.34 2.32 0.00 82 P 0.00 4.19 0.00 2.14 1.76 0.00 3.94 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.83 0.00 83 E 8.88 3.73 0.00 2.11 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 0.00 2.21 2.34 0.00 84 H 7.98 4.20 0.00 3.30 3.18 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 3.93 0.00 2.19 2.17 0.00 3.46 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 1.81 1.93 0.00 86 Q 8.26 4.50 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 87 Q 8.81 3.20 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 88 E 7.34 5.01 0.00 1.97 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 1.71 2.18 0.00 89 A 8.93 5.05 1.23 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 90 F 8.95 4.81 0.00 2.92 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 91 I 7.58 4.34 1.37 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.59 0.85 0.00 0.00 92 Y 8.26 4.19 0.00 1.43 1.43 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 0.00 93 D 8.04 5.07 0.00 3.37 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 F 8.90 5.24 0.00 3.03 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 95 G 6.19 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 0.00 0.00 0.00 96 L 7.53 4.88 0.00 1.33 1.59 0.43 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 9.13 4.37 0.00 3.29 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 98 E 9.22 4.01 0.00 2.15 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 2.42 2.43 0.00 99 P 0.00 4.27 0.00 1.48 1.92 0.00 3.78 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 1.58 1.76 0.00 100 Y 8.45 5.02 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 0.00 101 R 8.00 4.52 0.00 2.01 1.77 0.00 3.29 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 102 G 8.84 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 0.00 103 K 7.62 4.06 0.00 0.79 1.03 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.10 1.07 7.81 104 G 7.98 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 0.00 0.00 0.00 105 Y 7.70 4.53 0.00 3.01 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 0.00 106 A 8.05 4.18 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 0.00 107 K 8.11 3.98 0.00 1.88 1.87 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.58 7.81 108 Q 7.95 4.01 0.00 2.45 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.44 2.66 0.00 109 A 8.63 4.05 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 0.00 0.00 0.00 0.00 0.00 110 L 8.25 3.82 0.00 1.94 1.77 0.20 0.79 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 0.00 111 A 8.05 3.95 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 0.00 112 A 8.27 3.90 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.08 3.73 0.00 1.79 1.76 0.85 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.23 4.23 0.00 2.82 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 0.00 115 Q 8.15 3.89 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 116 A 8.01 3.92 1.07 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 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.63 4.13 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 0.00 118 R 7.69 3.86 0.00 1.90 2.10 0.00 3.24 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 119 S 8.01 4.49 0.00 4.13 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *121 G 7.92 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 0.00 122 I 8.02 4.14 1.99 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 1.30 0.60 0.98 0.00 0.00 123 R 8.59 4.56 0.00 1.65 1.91 0.00 3.15 0.00 0.00 3.13 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 124 K 7.57 4.59 0.00 1.73 1.51 0.00 1.74 0.00 0.00 1.95 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.40 7.81 125 L 8.30 5.35 0.00 1.39 1.62 0.97 0.79 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 0.00 126 S 8.75 4.95 0.00 3.97 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.90 3.37 0.00 1.00 0.90 0.25 -1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 128 H 8.06 4.88 0.00 3.25 3.24 0.00 5.76 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 7.33 4.25 2.16 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 0.67 0.00 0.00 1.08 0.00 0.00 130 F 8.58 3.97 0.00 3.00 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 0.00 131 A 8.56 4.04 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 0.00 132 H 7.98 4.37 0.00 3.25 3.47 0.00 5.54 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 0.00 133 N 7.78 4.77 0.00 2.85 2.97 0.00 0.00 7.03 7.02 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 0.00 134 Q 7.87 4.11 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.66 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 135 T 7.95 3.79 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 1.20 0.00 0.00 136 A 8.05 3.57 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 0.00 137 R 7.81 4.01 0.00 2.08 2.06 0.00 3.30 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 1.74 1.93 0.00 138 K 8.05 3.91 0.00 1.90 1.85 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.59 7.81 139 L 7.60 3.91 0.00 1.59 1.56 0.71 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 140 Y 8.11 4.41 0.00 3.13 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 0.00 141 E 8.55 4.94 0.00 2.21 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 0.00 2.42 2.51 0.00 142 Q 8.47 4.16 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.36 0.00 0.00 0.00 0.00 0.00 2.69 2.51 0.00 143 T 7.74 4.56 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 1.35 0.00 0.00 144 G 7.96 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 0.00 145 F 8.29 4.17 0.00 3.37 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 8.28 4.82 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 147 E 8.86 4.17 0.00 2.01 1.89 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 2.33 2.34 0.00 148 T 8.40 4.57 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 1.27 0.00 0.00 149 D 7.80 4.87 0.00 2.61 2.53 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 0.00 0.00 0.00 0.00 150 V 8.07 4.35 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 0.78 0.00 0.00 0.92 0.00 0.00 151 V 8.09 4.21 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 0.91 0.00 0.00 0.91 0.00 0.00 *153 S 8.09 4.31 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 0.00 154 K 8.09 4.54 0.00 1.69 1.67 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.46 7.81 155 K 8.53 4.41 0.00 1.79 1.73 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.46 7.81 156 L 8.66 4.23 0.00 1.64 1.71 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.74 4.29 0.00 1.57 1.50 0.92 0.83 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 * Residues marked with a * may have inaccurate shift predictions.