NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3533 7.9800 115.3206 62.0214 69.0058 172.1665 3 V 3.9669 7.9421 128.8239 61.2634 32.4912 174.0068 4 H 4.7623 9.3232 127.5494 57.2124 29.2104 175.6718 5 N 5.4617 8.0813 112.8171 52.0618 41.6676 172.1088 6 L 5.4318 8.8254 120.2922 53.7042 45.8945 174.4700 7 Y 5.2605 9.6956 123.0365 56.1760 42.0543 174.3546 8 L 5.2776 8.7329 123.0408 53.0608 44.7298 175.6109 9 F 5.4057 9.3474 122.5564 55.7109 42.7426 175.1182 10 D 4.8569 8.7663 121.6549 53.2083 42.3087 176.8913 11 R 4.3454 8.4260 115.2078 57.2649 29.7081 176.5047 12 N 4.7801 7.7515 114.9466 52.9628 39.2550 175.6047 13 G 2.0000 7.8407 107.4416 44.3620 0.0000 174.5184 14 V 3.5272 7.2914 120.2312 63.2491 31.7124 175.0447 15 C 4.7490 8.5108 128.0681 58.3081 29.7450 172.0185 16 L 4.1779 8.2487 125.4510 57.8574 42.6264 176.4881 17 H 4.9549 7.5694 114.9435 55.2983 33.3691 172.0008 18 Y 4.6990 7.9427 124.6897 55.8233 41.5075 174.0413 19 S 4.0798 7.7330 120.7476 56.0059 66.0513 172.1575 20 E 4.2158 7.4266 125.3182 54.5179 31.7704 173.1167 21 W 4.4882 9.5515 125.3276 57.9485 30.9725 176.7609 22 H 4.7810 8.2433 119.6451 53.3869 28.0563 171.3927 23 R 4.6967 7.9174 119.7218 54.0589 30.6741 175.2865 24 K 4.0628 8.5779 124.8545 57.5053 32.5534 177.1777 25 K 4.3918 7.8671 119.0634 54.5093 32.9525 174.7059 26 Q 4.4040 8.4324 125.4476 54.0182 30.2620 175.9716 27 A 4.0734 8.6208 124.9465 52.9257 18.8022 177.5983 28 G 3.7989 8.5092 108.7595 45.6445 0.0000 173.3313 29 I 4.6911 7.3627 111.9447 57.6648 41.1032 172.9951 30 P 4.3188 0.0000 0.0000 62.1709 31.9368 178.0210 31 K 3.4023 8.5122 121.3681 59.5700 31.3108 179.3413 32 E 3.8143 7.8707 118.2385 59.1425 29.2220 178.7112 33 E 3.8320 8.0527 119.2724 58.7283 29.7443 177.9644 34 E 3.9403 7.8263 118.9291 59.5504 29.5981 178.2624 35 Y 4.7492 7.8069 116.6410 61.3645 37.9199 178.8658 36 K 4.1286 7.8600 119.0915 59.2383 32.0775 179.2158 37 L 3.9380 8.3636 120.9612 58.3439 42.0280 178.3998 38 M 3.9861 8.7831 118.8081 59.0062 32.0607 177.4929 39 Y 3.4551 8.1949 119.4877 60.4206 38.8715 178.1224 40 G 3.6299 8.3440 106.8255 48.0366 0.0000 175.2342 41 M 3.9249 8.1757 120.7492 58.3668 32.4477 178.2010 42 L 3.7579 7.9932 119.4628 57.7943 41.8555 179.4216 43 F 3.7955 8.4845 121.2852 61.1673 39.2460 177.4172 44 S 4.0645 8.2254 115.0354 61.5228 62.4912 176.6634 45 I 3.4258 7.5953 122.5289 64.2627 36.5538 178.6422 46 R 3.7205 7.4039 118.4480 59.1372 29.7019 179.1469 47 S 3.9131 7.5512 112.5093 61.2439 62.3389 175.5374 48 F 3.9561 8.6327 123.6413 61.5841 39.1808 177.0212 49 V 3.4776 8.2571 117.8740 66.2768 30.9974 178.0212 50 S 4.0418 7.5330 111.8790 61.0322 62.2940 175.6969 51 K 4.1227 7.4169 119.8779 58.5387 32.1903 178.5240 52 M 3.9342 7.6780 118.3436 57.0457 32.3271 176.9018 53 S 4.0633 7.1726 113.4606 57.9504 62.7457 172.2031 54 P 4.4833 0.0000 0.0000 63.8746 31.6310 175.7615 55 L 4.8566 7.3590 118.0369 52.6623 45.6206 175.9066 56 D 4.4363 8.5688 120.5572 54.8733 41.3064 176.2619 57 M 4.5551 8.3184 122.3714 53.9837 34.2476 174.8569 58 K 4.3925 8.3946 118.1055 58.2339 34.1881 176.9549 59 D 4.5353 8.1417 117.0639 54.6491 42.1233 178.2437 60 G 3.8893 8.0190 105.8663 44.6696 0.0000 172.5015 61 F 4.4609 8.8956 124.1219 59.0259 39.9393 175.2297 62 L 4.5876 8.8952 126.7562 53.8262 44.3221 176.4932 63 S 4.9535 6.4509 114.5398 58.0979 64.3028 176.2293 64 F 5.3586 7.7476 114.9624 55.4512 41.6710 173.3404 65 Q 4.9554 8.7707 116.5980 55.1867 31.4590 174.7717 66 T 4.7446 7.9907 112.8225 60.3941 71.1112 173.8673 67 S 4.2703 8.7843 114.0156 61.0093 62.7079 175.9592 68 R 4.6133 8.1239 117.3662 56.5681 32.1267 174.5987 69 Y 5.2282 7.9996 114.5307 55.3950 42.4451 173.8949 70 K 4.7017 9.5911 120.5419 54.4269 35.5790 174.1673 71 L 5.3800 8.5708 129.6349 53.2164 43.9084 174.4336 72 H 5.0574 9.6829 124.9594 54.3778 30.8678 173.3055 73 Y 5.1074 8.2984 124.0844 55.8840 41.2845 173.8488 74 Y 4.7887 8.4797 127.4834 55.6348 42.0471 173.5466 75 E 4.7204 8.0026 126.7572 54.3326 32.3145 175.3477 76 T 3.9276 8.0471 117.4709 59.6494 70.0309 174.0108 77 P 4.2161 0.0000 0.0000 65.3438 31.1876 176.9277 78 T 4.2785 7.8239 108.0058 61.4202 68.9131 175.5972 79 G 3.9900 8.2953 111.3155 45.2939 0.0000 174.0988 80 I 4.0882 7.3108 122.0792 61.1045 38.4540 175.1152 81 K 4.6813 9.3585 126.4598 54.5591 35.2806 175.2672 82 V 4.7566 8.8666 126.5260 61.5118 33.1613 174.3737 83 V 5.1589 9.1125 129.5964 61.4205 33.7929 174.0231 84 M 5.5095 9.5369 127.7177 54.0152 35.8884 173.3979 85 N 5.8946 9.1024 123.0727 52.3003 41.4116 174.2464 86 T 5.4930 9.1625 112.8479 60.0818 73.1504 172.6116 87 D 5.0028 8.5430 120.9954 53.0021 40.2809 177.7707 88 L 4.0291 8.8486 119.4707 57.4888 41.9391 179.2418 89 G 3.6360 8.0921 107.4398 48.1614 0.0000 174.6401 90 V 3.2987 7.2825 120.4664 62.5983 31.7507 176.6960 91 G 3.8677 8.2864 117.7234 44.4382 0.0000 170.1910 92 P 4.2562 0.0000 0.0000 65.9292 31.0447 177.9838 93 I 4.2262 7.7661 110.2348 59.4729 36.7812 176.1784 94 R 3.9053 7.5144 121.7558 60.2342 29.3033 178.0311 95 D 4.3458 8.0554 118.7204 56.4018 39.2588 178.8486 96 V 3.7686 7.7316 119.0687 65.9119 31.5986 177.8656 97 L 4.0820 7.7008 118.7138 58.1289 41.4496 179.0588 98 H 3.9248 8.0271 118.1241 59.0896 29.6158 176.8770 99 H 4.0873 8.1663 120.4468 59.1674 29.6481 177.2749 100 I 3.7005 7.8701 121.7429 64.4469 36.8281 177.8879 101 Y 4.2648 7.9262 120.5032 60.7876 38.6913 177.5631 102 S 3.6019 8.4615 114.1220 61.1671 62.4752 175.6866 103 A 3.9324 7.8001 121.6463 53.1972 18.5639 177.4731 104 L 4.8209 7.4930 115.1941 56.6990 44.5174 178.2543 105 Y 3.9284 8.5075 119.3975 60.7504 39.2433 177.7287 106 V 3.1288 8.0179 119.6622 65.7906 31.7591 177.7335 107 E 3.5129 7.3232 118.5032 58.3507 29.3368 177.2632 108 F 4.9506 7.7493 113.7682 57.1953 40.0071 175.0556 109 V 4.0075 7.1008 118.3970 64.3470 33.2836 177.6348 110 V 3.3323 7.1017 118.4404 65.8396 31.3433 177.1279 111 K 4.1203 8.0064 116.1118 56.8146 31.9284 176.9173 112 N 4.7545 7.6342 120.3521 50.3250 38.1510 172.6435 113 P 4.0694 0.0000 0.0000 65.4885 31.2116 177.7234 114 L 4.2135 8.0585 116.1949 55.1019 41.4095 176.6026 115 C 4.5542 8.2064 118.4526 56.9736 27.9478 171.7445 116 P 4.3296 0.0000 0.0000 62.4350 31.5811 176.6899 117 L 4.2914 8.3207 122.4382 55.4858 42.5796 177.0381 118 G 4.4119 10.0310 109.6316 45.5612 0.0000 172.8909 119 Q 4.5732 7.5043 115.7685 53.7605 32.8523 174.6771 120 T 3.9937 8.5559 116.2360 64.0602 68.7897 174.5089 121 V 3.6689 8.7158 127.4113 63.3289 31.8714 175.6763 122 Q 4.3677 8.5036 124.9350 56.4293 30.2541 176.0494 123 S 4.1040 8.1205 112.6635 58.8266 63.0558 174.3682 124 E 4.0217 8.8786 129.5255 59.2662 29.2553 178.8134 125 L 3.7272 7.8538 120.0428 57.9662 42.1957 178.2320 126 F 4.0500 8.1068 120.3674 61.7603 39.3680 177.5680 127 R 3.6268 7.9413 116.8302 59.1332 29.7303 179.3013 128 S 3.9926 8.2021 115.2372 61.7008 62.8461 176.7818 129 R 3.7718 8.0006 121.0477 59.2246 29.7345 178.6714 130 L 3.8666 7.6876 119.9148 58.1368 41.9887 178.1981 131 D 4.5653 7.9338 117.5443 57.6867 40.9366 178.4660 132 S 3.9185 7.9590 112.0904 61.4230 62.6863 175.1611 133 Y 4.1792 8.2580 122.4731 60.7525 38.4826 178.1839 134 V 2.8674 7.8904 119.3741 65.8088 31.3525 177.9891 135 R 2.0000 7.0890 115.6544 57.6250 29.7063 178.5536 136 S 4.0846 7.0855 114.7637 59.4997 63.6141 174.8337 137 L 3.3450 6.3872 120.6347 54.0127 41.6991 176.4347 138 P 4.1543 0.0000 0.0000 65.4066 31.0528 176.7484 139 F 4.8054 6.9529 111.5986 56.4784 38.5605 176.7491 140 F 3.9712 7.9887 125.7800 61.8580 39.2695 175.7869 141 S 4.2022 7.8548 114.0577 58.0459 62.8078 173.9138 142 A 4.1623 8.1187 128.4252 53.6731 19.7035 178.3335 *143 R 4.1483 7.8684 118.3386 56.4472 30.1755 180.6137 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 7.98 4.35 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 1.23 0.00 0.00 3 V 7.94 3.97 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 0.85 0.00 0.00 1.01 0.00 0.00 4 H 9.32 4.76 0.00 3.43 3.35 0.00 5.68 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.08 5.46 0.00 2.59 2.89 0.00 0.00 5.38 6.67 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 6 L 8.83 5.43 0.00 2.12 1.59 1.21 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 9.70 5.26 0.00 2.97 2.42 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 8 L 8.73 5.28 0.00 1.64 1.50 1.16 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 9 F 9.35 5.41 0.00 3.20 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 10 D 8.77 4.86 0.00 2.88 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 11 R 8.43 4.35 0.00 2.03 2.18 0.00 3.06 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 12 N 7.75 4.78 0.00 2.65 2.74 0.00 0.00 7.06 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 13 G 7.84 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 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.29 3.53 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.95 0.00 0.00 15 C 8.51 4.75 0.00 2.89 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 16 L 8.25 4.18 0.00 1.72 1.73 0.80 0.99 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 17 H 7.57 4.95 0.00 3.40 3.23 0.00 5.81 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 18 Y 7.94 4.70 0.00 2.49 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 19 S 7.73 4.08 0.00 3.66 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 20 E 7.43 4.22 0.00 1.66 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 2.13 2.34 0.00 21 W 9.55 4.49 0.00 3.51 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 22 H 8.24 4.78 0.00 2.99 3.19 0.00 5.55 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 23 R 7.92 4.70 0.00 1.81 2.04 0.00 3.35 0.00 0.00 3.43 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 24 K 8.58 4.06 0.00 1.81 1.87 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.47 7.81 25 K 7.87 4.39 0.00 1.67 1.67 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.41 7.81 26 Q 8.43 4.40 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 27 A 8.62 4.07 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 28 G 8.51 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 29 I 7.36 4.69 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 1.27 0.70 0.90 0.00 0.00 30 P 0.00 4.32 0.00 2.12 1.94 0.00 3.72 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 2.07 2.06 0.00 31 K 8.51 3.40 0.00 1.47 1.07 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.20 1.34 7.81 32 E 7.87 3.81 0.00 1.92 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 2.31 2.28 0.00 33 E 8.05 3.83 0.00 2.00 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 0.00 2.27 2.30 0.00 34 E 7.83 3.94 0.00 1.96 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 2.61 2.50 0.00 35 Y 7.81 4.75 0.00 3.30 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 36 K 7.86 4.13 0.00 1.90 1.92 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.55 7.81 37 L 8.36 3.94 0.00 2.01 1.79 0.95 0.88 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 38 M 8.78 3.99 0.00 2.52 2.16 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.00 0.00 39 Y 8.19 3.46 0.00 2.79 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 40 G 8.34 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 41 M 8.18 3.92 0.00 2.22 2.04 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 42 L 7.99 3.76 0.00 1.76 1.40 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.48 3.80 0.00 2.65 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 44 S 8.23 4.06 0.00 3.93 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 45 I 7.60 3.43 1.41 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.69 -0.39 0.00 0.00 46 R 7.40 3.72 0.00 1.56 1.70 0.00 3.16 0.00 0.00 2.85 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 47 S 7.55 3.91 0.00 3.67 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.63 3.96 0.00 3.10 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.26 3.48 2.30 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 0.95 0.00 0.00 1.01 0.00 0.00 50 S 7.53 4.04 0.00 3.89 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 51 K 7.42 4.12 0.00 1.52 1.72 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.46 7.81 52 M 7.68 3.93 0.00 1.60 1.33 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.21 0.00 53 S 7.17 4.06 0.00 3.91 3.76 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 54 P 0.00 4.48 0.00 2.19 2.12 0.00 3.73 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 1.96 1.96 0.00 55 L 7.36 4.86 0.00 1.53 1.54 0.92 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.57 4.44 0.00 2.66 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 57 M 8.32 4.56 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.50 0.00 58 K 8.39 4.39 0.00 1.69 1.80 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.43 7.81 59 D 8.14 4.54 0.00 2.75 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 60 G 8.02 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 61 F 8.90 4.46 0.00 2.76 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 62 L 8.90 4.59 0.00 1.59 1.56 1.00 0.73 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 63 S 6.45 4.95 0.00 3.85 3.61 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 64 F 7.75 5.36 0.00 3.06 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 65 Q 8.77 4.96 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 66 T 7.99 4.74 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 1.13 0.00 0.00 67 S 8.78 4.27 0.00 3.88 3.98 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 68 R 8.12 4.61 0.00 2.01 2.05 0.00 3.44 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 69 Y 8.00 5.23 0.00 3.26 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 70 K 9.59 4.70 0.00 1.71 1.65 0.00 1.54 0.00 0.00 1.65 0.00 0.00 2.58 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.93 1.30 7.81 71 L 8.57 5.38 0.00 1.35 0.16 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 72 H 9.68 5.06 0.00 3.18 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 8.30 5.11 0.00 2.80 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 74 Y 8.48 4.79 0.00 2.98 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 75 E 8.00 4.72 0.00 1.71 1.69 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 2.05 2.16 0.00 76 T 8.05 3.93 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 77 P 0.00 4.22 0.00 2.20 2.22 0.00 3.63 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 1.99 1.97 0.00 78 T 7.82 4.28 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 79 G 8.30 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 80 I 7.31 4.09 1.55 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 1.21 0.90 0.63 0.00 0.00 81 K 9.36 4.68 0.00 1.90 1.61 0.00 2.03 0.00 0.00 1.96 0.00 0.00 3.02 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.35 1.66 7.81 82 V 8.87 4.76 2.30 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 1.10 0.00 0.00 1.17 0.00 0.00 83 V 9.11 5.16 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 1.15 0.00 0.00 1.32 0.00 0.00 84 M 9.54 5.51 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.69 0.00 85 N 9.10 5.89 0.00 3.16 3.05 0.00 0.00 6.20 8.22 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 86 T 9.16 5.49 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 1.32 0.00 0.00 87 D 8.54 5.00 0.00 2.75 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 88 L 8.85 4.03 0.00 1.68 1.80 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.09 3.64 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 0.00 0.00 0.00 90 V 7.28 3.30 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 -0.14 0.00 0.00 0.70 0.00 0.00 91 G 8.29 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 92 P 0.00 4.26 0.00 2.21 2.34 0.00 3.81 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 2.06 1.99 0.00 93 I 7.77 4.23 1.88 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 1.22 1.27 0.58 0.00 0.00 94 R 7.51 3.91 0.00 1.76 1.96 0.00 3.31 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.78 0.00 95 D 8.06 4.35 0.00 2.91 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 96 V 7.73 3.77 2.40 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 1.29 0.00 0.00 1.12 0.00 0.00 97 L 7.70 4.08 0.00 1.58 1.73 0.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 98 H 8.03 3.92 0.00 2.67 3.27 0.00 5.59 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 H 8.17 4.09 0.00 3.43 3.42 0.00 5.84 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 0.00 100 I 7.87 3.70 2.20 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.78 1.13 0.00 0.00 101 Y 7.93 4.26 0.00 3.17 3.25 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 0.00 102 S 8.46 3.60 0.00 3.63 3.73 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 0.00 103 A 7.80 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.49 4.82 0.00 2.00 1.81 0.89 0.97 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 0.00 105 Y 8.51 3.93 0.00 3.19 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 0.00 106 V 8.02 3.13 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 0.74 0.00 0.00 0.42 0.00 0.00 107 E 7.32 3.51 0.00 1.66 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 1.63 1.52 0.00 108 F 7.75 4.95 0.00 3.50 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 0.00 109 V 7.10 4.01 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 0.63 0.00 0.00 0.24 0.00 0.00 110 V 7.10 3.33 1.86 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 0.70 0.00 0.00 0.57 0.00 0.00 111 K 8.01 4.12 0.00 1.81 1.71 0.00 1.63 0.00 0.00 1.50 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.38 7.81 112 N 7.63 4.75 0.00 2.72 2.76 0.00 0.00 6.88 7.74 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 0.00 113 P 0.00 4.07 0.00 2.19 2.18 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 114 L 8.06 4.21 0.00 1.79 1.73 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 115 C 8.21 4.55 0.00 3.08 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 0.00 116 P 0.00 4.33 0.00 2.04 1.99 0.00 3.66 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 2.02 2.10 0.00 117 L 8.32 4.29 0.00 1.63 1.63 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 118 G 10.03 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 0.00 119 Q 7.50 4.57 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.28 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 120 T 8.56 3.99 4.27 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 1.25 0.00 0.00 121 V 8.72 3.67 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 0.78 0.00 0.00 122 Q 8.50 4.37 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.28 0.00 123 S 8.12 4.10 0.00 3.92 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 0.00 124 E 8.88 4.02 0.00 2.04 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 2.40 2.38 0.00 125 L 7.85 3.73 0.00 1.65 1.50 0.81 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 126 F 8.11 4.05 0.00 3.26 3.28 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 0.00 127 R 7.94 3.63 0.00 2.08 1.93 0.00 3.35 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.86 0.00 128 S 8.20 3.99 0.00 3.81 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 0.00 129 R 8.00 3.77 0.00 1.61 1.84 0.00 2.96 0.00 0.00 2.57 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.60 0.00 130 L 7.69 3.87 0.00 1.16 1.49 0.98 0.80 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 0.00 131 D 7.93 4.57 0.00 2.95 2.78 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 0.00 132 S 7.96 3.92 0.00 3.82 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 0.00 133 Y 8.26 4.18 0.00 3.09 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 0.00 134 V 7.89 2.87 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.84 0.00 0.00 135 R 7.09 2.00 0.00 1.50 1.33 0.00 3.06 0.00 0.00 3.04 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.14 0.00 136 S 7.09 4.08 0.00 3.74 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 6.39 3.35 0.00 0.95 0.21 0.47 0.97 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 0.00 138 P 0.00 4.15 0.00 2.21 2.17 0.00 3.42 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 139 F 6.95 4.81 0.00 3.13 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 0.00 140 F 7.99 3.97 0.00 2.90 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 0.00 141 S 7.85 4.20 0.00 3.92 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 0.00 142 A 8.12 4.16 1.10 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 0.00 0.00 *143 R 7.87 4.15 0.00 1.59 1.76 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.