NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3704 8.2493 123.5846 52.6233 20.1680 176.0931 2 T 4.3410 8.0049 107.2131 60.9797 70.4914 174.6798 3 S 4.1453 8.1685 116.7437 60.7308 63.3191 175.6120 4 T 4.5000 7.6529 107.1331 60.9304 69.2778 174.6317 5 K 4.1847 7.6495 121.7252 56.6111 32.6383 176.7724 6 K 4.4103 8.2820 120.6042 55.5684 33.4535 176.4341 7 L 4.7468 8.0391 120.3787 53.8644 43.5375 175.7921 8 H 5.0578 8.4518 116.6444 54.0635 32.1437 173.4142 9 K 4.6620 8.7412 121.5965 55.9748 33.3558 176.0637 10 E 5.0330 9.3190 122.9744 53.7040 33.7669 173.6731 11 P 4.8286 0.0000 0.0000 63.2944 32.3156 175.2264 12 A 4.9119 8.2904 121.5779 51.3397 22.8039 175.6676 13 T 4.5941 8.5134 116.3000 61.2081 71.8633 173.6309 14 L 4.1510 8.5792 128.2669 55.7693 42.2863 175.8452 15 I 4.3984 8.3848 127.2443 62.2246 38.7804 176.2483 16 K 4.4221 7.3943 116.9452 55.9711 34.9939 174.5966 17 A 4.4849 8.7790 125.7485 52.2627 18.5816 175.4231 18 I 4.4771 7.6994 117.4713 61.6829 41.1206 178.2758 19 D 4.6948 7.6863 125.2698 52.1498 41.3667 175.9543 20 G 3.8444 9.1462 105.7463 48.6185 0.0000 173.5433 21 D 5.0119 8.3589 116.4366 52.5322 41.3150 175.2393 22 T 6.2895 8.8161 108.7296 59.6220 72.5434 173.1102 23 V 4.5674 8.1974 120.6951 60.4104 35.3121 172.8208 24 K 4.9208 8.7382 123.8879 55.1371 33.5851 175.1664 25 L 5.2083 9.2222 127.1195 53.0952 46.5227 175.3918 26 M 4.8010 9.2205 122.0320 54.7446 33.6096 174.1571 27 Y 5.0344 9.0325 128.4401 56.1128 41.9083 175.6288 28 K 3.3725 9.3920 125.6951 57.4681 29.7454 176.2233 29 G 3.9500 8.5144 103.9491 45.6400 0.0000 173.8780 30 Q 4.7556 7.7767 118.0415 53.0219 32.7159 173.2096 31 P 4.9632 0.0000 0.0000 63.1154 32.3048 175.7289 32 M 4.8577 9.2499 122.4897 54.3467 37.2221 173.7980 33 T 4.9057 8.4207 118.6161 62.5247 70.6261 173.6482 34 F 5.1840 9.4939 125.3969 55.6727 41.9964 174.5868 35 R 5.4212 9.4143 122.6232 54.3832 33.0727 174.7234 36 L 4.0385 8.5138 126.4213 54.3785 41.6185 177.2381 37 L 3.9360 8.3906 124.3697 55.3101 42.9831 177.6558 38 L 4.6764 8.7170 119.0519 55.0083 39.3431 174.0850 39 V 5.1546 7.2884 110.2562 59.8900 36.2190 174.6216 40 D 4.8832 9.0637 121.2574 53.2385 44.2291 174.1144 41 T 4.9477 8.2758 115.5222 59.0076 71.2127 172.7587 42 P 4.3482 0.0000 0.0000 62.6755 32.1854 176.3820 43 E 4.2668 9.2786 122.1585 55.7038 30.5966 177.5555 *50 F 4.7327 8.3583 114.1486 56.8159 39.4761 175.6007 51 N 4.3323 6.8587 115.2461 52.5029 37.8707 174.2607 52 E 4.5466 7.6871 119.4161 54.0192 31.9857 175.2305 53 K 3.9565 8.1180 121.9838 58.0248 32.7344 176.9531 54 Y 4.2287 7.7828 121.1654 59.3184 36.2308 171.5157 55 G 3.6093 8.1633 107.5900 47.4088 0.0000 174.2538 56 P 4.3760 0.0000 0.0000 65.0490 31.2027 178.6656 57 E 4.0550 8.2198 116.8823 59.2719 29.4740 179.0099 58 A 4.0292 8.2978 120.9691 55.2324 18.3547 179.6023 59 S 4.0781 8.3703 111.5145 61.5269 62.4905 176.2882 60 A 4.0485 8.2930 123.5305 54.9740 18.1113 179.3610 61 F 3.9723 8.5482 119.2968 61.8646 39.4837 177.5822 62 T 4.0270 8.3856 115.4535 66.3498 68.1670 176.4976 63 K 3.8767 8.3555 121.5010 59.6686 32.2392 178.6263 64 A 3.9232 8.0118 120.7974 55.3142 18.0519 179.2593 65 M 3.8565 7.6047 115.6580 58.8450 32.0983 178.5353 66 V 3.8735 8.0555 112.5730 64.1804 31.6407 178.5154 67 E 3.9844 8.3200 117.8035 59.2574 29.4122 177.5294 68 N 4.5932 8.0504 113.1924 53.2057 38.8697 174.8668 69 A 4.3980 7.5493 124.8057 52.1771 19.1434 178.9639 70 K 4.1844 9.1059 125.3868 56.6074 32.2946 174.7641 71 K 4.6968 8.7535 120.1886 54.7462 35.5111 175.2911 72 I 5.0605 8.4480 127.3234 59.6987 40.1947 174.3613 73 E 5.0983 9.2161 124.3448 54.7207 34.1210 174.9520 74 V 4.8468 8.9653 115.3369 59.5636 35.5337 174.6938 75 E 5.1138 9.0500 124.4304 54.4176 31.9936 174.9591 76 F 4.6098 8.9897 125.5990 57.6154 40.1469 175.6635 77 D 4.9800 8.5231 120.5641 53.5280 43.2247 175.7199 78 K 4.4706 9.1309 117.2815 57.3665 33.6036 177.7070 79 G 4.2234 7.9869 109.2955 44.7569 0.0000 176.5976 80 Q 4.0443 8.7713 127.4185 55.9655 29.3550 175.7306 81 R 4.5096 8.6100 124.0080 57.3998 31.0717 176.3396 82 T 5.0081 7.4912 106.7924 59.5266 71.5470 173.5194 83 D 4.6518 8.8484 125.4834 51.8873 40.8273 177.0762 84 K 3.8037 8.2578 117.5292 59.1601 32.3102 177.0019 85 Y 4.4699 7.9420 115.9162 57.6079 38.1581 176.1876 86 G 3.9031 8.3386 108.2325 45.6326 0.0000 173.8073 87 R 4.4458 8.4237 119.3617 54.8632 32.0312 176.1472 88 G 3.5657 8.5031 111.0413 45.9669 0.0000 172.3787 89 L 5.3065 8.9271 125.4120 53.3484 43.1370 175.6863 90 A 4.4436 8.6122 124.4244 51.2449 23.7970 173.9857 91 Y 4.8305 8.6847 117.2600 56.8837 39.4743 175.4953 92 W 5.4407 8.6202 124.5559 55.5868 31.8916 174.8965 93 Y 5.1238 9.3114 120.5943 56.1967 41.1677 174.4766 94 A 4.9372 9.3098 126.7681 50.0680 20.8486 176.2045 95 D 4.2080 9.8639 124.6550 56.3569 38.9370 175.8349 96 G 3.9492 8.6610 106.1050 45.1714 0.0000 173.3648 97 A 4.6324 7.6790 123.6712 50.5273 20.4944 175.9715 98 M 4.1221 8.4911 123.1211 55.0704 33.3818 177.1141 99 V 3.6138 8.5892 127.1642 66.0618 31.4430 177.6564 100 N 4.0929 7.8109 115.7435 56.3203 38.3393 176.8351 101 E 3.8678 7.9646 119.7054 59.1152 29.9499 178.3186 102 A 4.0309 8.0719 120.8366 55.2574 18.5078 179.5077 103 L 3.3886 7.9377 117.3256 57.9022 41.7263 180.0664 104 V 3.8414 7.3375 119.0217 65.4737 31.2499 178.0513 105 R 4.0923 8.1083 117.8110 58.9875 29.9694 177.5264 106 Q 4.3081 7.5932 114.9177 54.9356 29.2081 175.9326 107 G 3.9280 7.9837 108.7173 46.7948 0.0000 174.7381 108 L 4.4921 7.5679 116.6885 53.9061 42.4366 176.2445 109 A 4.6837 7.4198 119.1523 50.9026 22.6659 175.2859 110 A 5.1459 8.7434 121.8631 49.6566 22.4486 176.2325 111 V 4.2455 9.2941 121.4620 63.3504 32.3952 175.1713 112 A 4.3183 9.2164 128.1424 50.8506 23.4255 174.8027 113 Y 3.5850 7.5768 113.6522 59.0584 35.3675 172.6456 114 V 4.0108 7.4071 118.6841 62.0925 31.9939 174.0678 115 Y 4.9305 7.7814 124.5290 56.4902 42.5538 180.5028 116 K 4.7222 7.4563 114.9632 56.2529 37.0524 177.5349 117 G 4.1825 8.8901 102.9582 44.5172 0.0000 172.9203 118 N 5.2190 8.1701 110.3112 52.9708 40.2367 173.3317 119 N 5.2986 8.1558 111.3952 51.8708 38.0387 176.3307 120 T 3.8475 8.8903 118.1767 68.1849 68.9706 175.2427 121 H 4.8325 7.9641 116.3478 55.7870 29.1926 176.7002 122 E 3.9550 8.3250 122.1684 59.8497 29.3695 178.7026 123 Q 4.0144 8.1074 117.2704 58.9133 28.8141 178.6654 124 L 3.9323 7.8584 120.6298 58.3051 42.2081 178.9808 125 L 4.0320 8.0198 118.8332 57.8352 41.5819 179.7306 126 R 3.9421 8.5894 118.2436 58.8653 30.0213 179.0209 127 A 3.9333 8.1376 120.7401 55.0543 18.4108 179.5467 128 A 3.9309 7.8252 118.9156 55.1760 18.3242 179.5322 129 E 3.8794 8.3615 117.7774 59.2221 29.6352 178.8463 130 A 3.6922 7.9406 120.9239 55.0817 18.4174 179.4565 131 Q 3.7749 7.9430 117.5639 59.1526 29.0531 178.1689 132 A 3.9826 7.9342 121.9163 54.9516 18.4161 179.5845 133 K 3.3864 7.7645 118.4115 59.0978 31.8832 178.9857 134 K 3.8508 7.7791 119.2265 59.3858 32.2450 177.8625 135 E 4.2018 8.0672 115.3722 55.4953 30.0680 176.3949 136 K 4.0478 7.7914 117.7120 57.2259 30.5799 175.4459 137 L 4.2856 8.3039 118.4475 55.5115 44.3448 178.2209 138 N 3.3944 9.3888 120.0880 53.9157 37.8759 176.7018 139 I 3.1411 5.4200 122.1666 63.5417 37.9961 177.3969 140 W 4.8267 7.6512 119.7219 56.6849 28.9973 176.9056 141 S 4.5223 7.9349 113.6745 59.1093 63.3340 174.1972 142 E 4.1860 8.0716 125.2941 56.7541 29.2516 176.4095 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 1 A 8.25 4.37 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 2 T 8.00 4.34 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 1.23 0.00 0.00 3 S 8.17 4.15 0.00 3.87 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 7.65 4.50 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 1.22 0.00 0.00 5 K 7.65 4.18 0.00 2.04 1.82 0.00 1.60 0.00 0.00 1.87 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.49 7.81 6 K 8.28 4.41 0.00 1.71 1.65 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.45 7.81 7 L 8.04 4.75 0.00 1.68 1.70 1.04 1.15 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 8 H 8.45 5.06 0.00 3.09 3.21 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.74 4.66 0.00 1.59 1.67 0.00 1.43 0.00 0.00 1.24 0.00 0.00 2.13 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.12 1.30 7.81 10 E 9.32 5.03 0.00 2.13 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 2.40 2.45 0.00 11 P 0.00 4.83 0.00 2.10 2.07 0.00 3.88 0.00 0.00 3.71 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 12 A 8.29 4.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.51 4.59 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 1.20 0.00 0.00 14 L 8.58 4.15 0.00 1.58 1.54 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.38 4.40 2.02 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 1.29 0.73 0.91 0.00 0.00 16 K 7.39 4.42 0.00 1.75 1.83 0.00 1.49 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 1.35 7.81 17 A 8.78 4.48 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 18 I 7.70 4.48 2.14 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 1.47 0.73 0.92 0.00 0.00 19 D 7.69 4.69 0.00 2.75 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 9.15 3.84 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 0.00 0.00 0.00 21 D 8.36 5.01 0.00 2.69 2.77 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 22 T 8.82 6.29 4.40 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 1.31 0.00 0.00 23 V 8.20 4.57 1.78 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 -0.49 0.00 0.00 0.82 0.00 0.00 24 K 8.74 4.92 0.00 1.90 1.81 0.00 1.55 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.45 7.81 25 L 9.22 5.21 0.00 1.58 1.40 -0.03 0.35 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 26 M 9.22 4.80 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 27 Y 9.03 5.03 0.00 3.30 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 28 K 9.39 3.37 0.00 1.42 1.62 0.00 1.55 0.00 0.00 1.53 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.01 0.35 7.81 29 G 8.51 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 30 Q 7.78 4.76 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 31 P 0.00 4.96 0.00 1.95 2.00 0.00 3.69 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 2.04 2.13 0.00 32 M 9.25 4.86 0.00 1.62 2.05 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.46 0.00 33 T 8.42 4.91 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 1.28 0.00 0.00 34 F 9.49 5.18 0.00 2.48 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 9.41 5.42 0.00 1.95 1.82 0.00 3.39 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 36 L 8.51 4.04 0.00 1.29 1.20 0.53 -1.07 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 37 L 8.39 3.94 0.00 0.93 1.25 0.29 0.20 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 38 L 8.72 4.68 0.00 1.97 1.83 1.14 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.29 5.15 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 0.61 0.00 0.00 0.84 0.00 0.00 40 D 9.06 4.88 0.00 2.88 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.28 4.95 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 1.18 0.00 0.00 42 P 0.00 4.35 0.00 2.31 2.07 0.00 3.58 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 2.12 2.05 0.00 43 E 9.28 4.27 0.00 2.08 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 2.47 2.43 0.00 *50 F 8.36 4.73 0.00 3.20 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 51 N 6.86 4.33 0.00 2.48 1.98 0.00 0.00 5.91 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 52 E 7.69 4.55 0.00 2.10 1.81 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 2.14 2.08 0.00 53 K 8.12 3.96 0.00 1.52 1.55 0.00 1.64 0.00 0.00 1.51 0.00 0.00 2.48 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.30 0.95 7.81 54 Y 7.78 4.23 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 55 G 8.16 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 0.00 0.00 0.00 56 P 0.00 4.38 0.00 2.20 2.16 0.00 3.60 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.37 0.00 57 E 8.22 4.06 0.00 2.39 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 58 A 8.30 4.03 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 59 S 8.37 4.08 0.00 4.00 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 60 A 8.29 4.05 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 61 F 8.55 3.97 0.00 3.32 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 62 T 8.39 4.03 4.51 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 0.00 0.00 0.00 1.51 0.00 0.00 63 K 8.36 3.88 0.00 1.96 2.06 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.55 1.57 7.81 64 A 8.01 3.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 M 7.60 3.86 0.00 2.10 1.88 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 2.59 0.00 66 V 8.06 3.87 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 1.04 0.00 0.00 1.08 0.00 0.00 67 E 8.32 3.98 0.00 2.02 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 2.34 2.39 0.00 68 N 8.05 4.59 0.00 2.84 2.82 0.00 0.00 7.03 7.20 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 69 A 7.55 4.40 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 70 K 9.11 4.18 0.00 1.80 1.74 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.24 7.81 71 K 8.75 4.70 0.00 1.77 1.76 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.41 7.81 72 I 8.45 5.06 1.97 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 1.34 1.34 0.79 0.00 0.00 73 E 9.22 5.10 0.00 1.98 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 2.23 2.28 0.00 74 V 8.97 4.85 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 -0.22 0.00 0.00 0.70 0.00 0.00 75 E 9.05 5.11 0.00 2.31 2.39 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 2.51 2.60 0.00 76 F 8.99 4.61 0.00 3.08 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 77 D 8.52 4.98 0.00 2.73 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 78 K 9.13 4.47 0.00 1.81 1.89 0.00 1.91 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.46 7.81 79 G 7.99 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 0.00 0.00 0.00 0.00 80 Q 8.77 4.04 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 81 R 8.61 4.51 0.00 1.75 1.57 0.00 2.97 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 82 T 7.49 5.01 4.19 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 1.15 0.00 0.00 83 D 8.85 4.65 0.00 2.86 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 K 8.26 3.80 0.00 1.52 1.74 0.00 1.24 0.00 0.00 1.50 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.96 0.22 7.81 85 Y 7.94 4.47 0.00 3.13 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 86 G 8.34 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 87 R 8.42 4.45 0.00 2.11 1.85 0.00 3.16 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 88 G 8.50 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.93 5.31 0.00 1.56 1.63 0.97 0.76 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 90 A 8.61 4.44 0.94 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 0.00 0.00 91 Y 8.68 4.83 0.00 3.08 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.62 5.44 0.00 3.23 2.83 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 93 Y 9.31 5.12 0.00 2.86 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 94 A 9.31 4.94 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 95 D 9.86 4.21 0.00 2.83 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 96 G 8.66 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 97 A 7.68 4.63 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.49 4.12 0.00 1.89 1.59 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.45 0.00 99 V 8.59 3.61 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 0.96 0.00 0.00 1.15 0.00 0.00 100 N 7.81 4.09 0.00 2.80 2.80 0.00 0.00 6.76 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 0.00 101 E 7.96 3.87 0.00 1.94 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 2.35 2.33 0.00 102 A 8.07 4.03 1.60 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 0.00 0.00 103 L 7.94 3.39 0.00 1.72 1.59 0.89 0.47 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 0.00 104 V 7.34 3.84 2.18 0.00 0.00 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 0.99 0.00 0.00 105 R 8.11 4.09 0.00 1.87 2.09 0.00 3.33 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 106 Q 7.59 4.31 0.00 1.69 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.33 0.00 0.00 0.00 0.00 0.00 2.33 2.19 0.00 107 G 7.98 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 0.00 0.00 0.00 108 L 7.57 4.49 0.00 1.36 1.54 0.71 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.42 4.68 1.13 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 0.00 110 A 8.74 5.15 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 9.29 4.25 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 0.81 0.00 0.00 1.00 0.00 0.00 112 A 9.22 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 7.58 3.59 0.00 3.15 3.10 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 0.00 114 V 7.41 4.01 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 0.84 0.00 0.00 0.91 0.00 0.00 115 Y 7.78 4.93 0.00 3.14 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 K 7.46 4.72 0.00 1.98 1.30 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.58 7.81 117 G 8.89 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.17 5.22 0.00 2.74 2.84 0.00 0.00 6.77 7.34 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 0.00 119 N 8.16 5.30 0.00 2.95 3.13 0.00 0.00 6.11 7.22 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 0.00 120 T 8.89 3.85 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 1.05 0.00 0.00 121 H 7.96 4.83 0.00 2.88 3.08 0.00 5.63 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.33 3.95 0.00 2.17 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 2.38 0.00 123 Q 8.11 4.01 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 124 L 7.86 3.93 0.00 1.73 1.84 0.94 0.53 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 0.00 125 L 8.02 4.03 0.00 1.90 1.71 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.59 3.94 0.00 1.79 1.94 0.00 3.11 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 127 A 8.14 3.93 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 0.00 128 A 7.83 3.93 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 0.00 129 E 8.36 3.88 0.00 2.08 2.05 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 2.04 2.43 0.00 130 A 7.94 3.69 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 0.00 131 Q 7.94 3.77 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 132 A 7.93 3.98 1.52 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 0.00 133 K 7.76 3.39 0.00 0.79 1.37 0.00 0.61 0.00 0.00 1.08 0.00 0.00 2.72 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.07 0.79 7.81 134 K 7.78 3.85 0.00 1.77 1.92 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.42 7.81 135 E 8.07 4.20 0.00 1.98 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 2.31 2.47 0.00 136 K 7.79 4.05 0.00 1.91 1.90 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.39 7.81 137 L 8.30 4.29 0.00 1.75 1.68 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.39 3.39 0.00 2.68 1.42 0.00 0.00 6.89 7.24 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 0.00 139 I 5.42 3.14 1.27 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 -0.36 0.54 0.00 0.00 140 W 7.65 4.83 0.00 3.33 3.13 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 0.00 141 S 7.93 4.52 0.00 4.01 4.18 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.07 4.19 0.00 2.00 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 2.41 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.