NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.3767 8.3344 115.4126 58.1425 64.3433 172.2990 8 V 4.0296 8.0040 121.3313 60.6815 32.5383 174.2550 9 N 4.5641 9.3403 126.1635 53.0385 40.1049 174.7526 10 S 4.3765 8.3736 117.9312 58.7678 63.6589 174.0516 11 V 4.5749 7.7691 115.3191 59.4606 35.5827 175.2572 12 L 4.1842 8.2936 121.0944 54.5644 42.4830 176.9508 13 A 4.5180 8.1899 124.3505 49.9688 20.2229 175.1789 14 P 4.5023 0.0000 0.0000 64.1072 31.6836 176.1288 15 G 4.1361 9.0655 110.3465 46.0664 0.0000 174.6572 16 N 4.3372 8.0203 116.6587 56.3004 38.4886 175.9640 17 L 4.3338 7.6356 121.3571 53.5630 40.4723 176.7558 18 R 4.0476 8.4321 121.4443 58.4397 29.9067 176.7085 19 K 4.1854 7.3656 114.8960 56.1887 34.5617 174.1598 20 V 3.9899 8.2363 119.4709 62.2242 31.9879 174.8515 21 H 4.5643 8.9587 128.3169 59.2366 30.7960 174.3027 22 H 5.2271 7.6905 109.4706 54.7571 31.1748 172.8021 23 I 4.6004 8.6043 119.7824 59.2098 40.6037 173.8246 24 A 5.4522 8.7466 130.5317 50.3289 21.2489 175.6311 25 L 4.7722 9.0731 120.9537 52.9533 45.8739 175.2068 26 N 5.4513 8.7239 119.2896 51.9927 40.3547 174.8059 27 V 5.0276 8.7588 116.6313 58.6604 34.6105 176.9256 28 Q 4.0217 9.5863 126.1815 58.0867 29.4592 175.0419 29 D 4.8317 7.7230 115.3229 52.2470 44.6040 175.8356 *31 Q 4.3694 8.4137 118.9574 55.8970 30.8999 177.9287 32 A 4.0967 8.3561 119.7180 55.2443 18.2167 179.8997 33 S 4.3335 8.3462 113.8207 61.7599 62.9461 177.0696 34 R 4.1554 8.1969 120.4615 59.3061 29.7895 178.3453 35 Y 3.9450 8.4077 119.5351 60.6449 38.8474 177.5187 36 F 4.0013 8.4337 121.5318 61.7140 39.5058 176.7585 37 Y 3.8982 8.3530 116.4760 60.5273 37.1727 178.4783 38 G 3.4738 7.6884 106.4401 47.4126 0.0000 176.1787 39 T 3.7302 7.3168 116.6888 66.0592 67.6298 176.9259 40 I 3.5978 7.3089 121.6595 64.2823 37.1072 178.2581 41 L 3.4775 7.3359 116.7072 55.0286 41.6710 178.1578 42 G 3.8366 7.2896 106.4982 45.3206 0.0000 173.6895 43 L 4.1725 7.5039 120.6233 54.5141 42.8135 176.1632 44 H 4.4958 8.6396 123.8508 56.2805 30.9598 173.6846 45 E 4.5154 8.4763 126.1722 54.9866 30.9968 175.0166 46 L 4.6522 8.2607 126.5524 53.9682 42.9918 177.0507 47 T 4.2573 9.1256 114.1786 60.3378 70.0715 175.3151 48 D 4.5179 8.6484 122.1696 56.4584 39.0432 177.4128 49 D 4.5485 7.9743 116.4788 54.1618 39.9762 176.4045 50 E 4.3811 8.3111 118.9048 56.6898 30.4749 176.4860 51 V 4.1684 7.3332 111.5572 58.8673 33.3933 173.8694 52 P 4.2124 0.0000 0.0000 63.0854 31.9911 177.4734 53 A 4.3701 9.0865 125.0883 54.8178 17.8397 179.8953 54 T 4.1402 7.9004 106.2295 63.4983 69.3841 175.5893 55 L 4.6369 8.2881 120.6967 54.2857 42.7392 177.8460 56 T 3.8398 7.4204 116.3935 67.1060 68.5180 175.7975 57 E 3.9894 8.0935 120.1810 59.0983 29.6696 178.5894 58 L 4.1201 7.7885 120.1274 57.2444 41.6338 179.4812 59 V 4.2852 8.3847 119.6294 65.3055 31.2090 178.0090 60 A 4.0090 7.8372 120.1903 54.8351 18.0650 179.0267 61 S 4.4103 8.6993 111.4134 58.5565 63.2257 175.6935 62 G 3.9082 7.5242 110.4554 46.1027 0.0000 174.4782 63 K 4.2522 8.3688 123.8022 57.9227 33.5262 176.7982 64 V 4.8785 7.6116 118.1916 60.9170 35.4793 173.9407 65 A 4.8378 8.7138 126.9130 50.1396 22.9606 174.5747 66 N 5.2960 8.2060 117.2309 51.4098 42.2089 173.6092 67 F 5.3572 9.1711 121.8319 55.6246 43.1031 174.1893 68 I 5.3550 9.0278 113.9902 59.6359 41.3281 174.5513 69 T 4.8630 8.6619 114.1098 59.8137 70.4891 174.0789 70 P 4.2349 0.0000 0.0000 65.4658 31.2414 176.6987 71 D 4.5765 8.0709 116.6662 53.3263 39.6635 177.0321 72 G 4.0150 8.3142 109.6124 45.4549 0.0000 174.4072 73 T 4.0525 7.8836 117.0320 63.8534 69.6775 173.4064 74 I 4.9586 8.3466 126.1724 59.6321 40.0480 174.4452 75 L 5.0746 9.2532 128.4133 53.6255 44.1843 174.5844 76 D 5.1144 8.9158 127.1040 52.9216 43.1212 175.5831 77 L 5.0885 8.8493 123.3685 52.9895 44.6010 175.2899 78 F 4.8602 9.2512 123.7733 55.2723 41.1651 175.4285 79 G 3.9038 9.1074 113.1936 46.2364 0.0000 173.6826 80 E 5.0008 9.3990 126.5117 53.8454 29.1752 174.9739 81 P 4.6596 0.0000 0.0000 64.4424 31.9802 177.9313 82 E 4.4267 8.0346 116.2368 56.1605 30.1168 175.8015 83 L 4.4801 7.5383 119.1053 53.8733 42.9476 176.0696 84 S 4.8449 8.1263 116.1520 55.9121 65.6581 172.5035 85 P 4.6183 0.0000 0.0000 61.3345 32.0778 174.6605 86 P 4.1746 0.0000 0.0000 65.7579 31.1107 176.3421 87 D 4.6373 7.8424 115.1924 52.4031 44.0617 172.8974 88 P 4.2418 0.0000 0.0000 65.4092 31.7468 175.9563 89 N 4.5707 8.2307 117.8549 51.5564 38.6415 173.8009 90 P 4.1822 0.0000 0.0000 65.0997 31.2972 177.2464 91 E 4.1346 8.3130 118.0055 57.7558 29.6894 176.7583 92 K 3.9701 7.8351 121.6210 55.9071 32.6069 176.1114 93 T 4.4236 7.8367 116.1125 60.2307 70.7028 173.3033 94 F 4.8735 8.0237 120.4383 56.0819 43.2420 173.9066 95 T 4.2750 8.3140 112.4260 62.1179 70.2677 175.2018 96 R 3.9944 8.4484 117.1108 55.3704 27.0075 175.9356 97 A 4.1471 8.7190 124.3925 54.3573 18.6391 175.6895 98 Y 4.8471 8.6546 123.5144 58.5710 40.3990 174.9322 99 H 4.2540 7.4390 112.3543 54.0824 31.4181 171.9830 100 L 4.7369 8.0658 121.2788 53.1335 44.6907 174.5332 101 A 5.1670 8.4473 127.3938 50.1475 21.4500 175.1358 102 F 4.8525 9.2290 121.0482 55.7866 41.8217 174.4766 103 D 5.3129 8.7778 121.8247 53.3620 42.5577 175.2280 104 I 4.7708 8.4022 123.7471 58.8554 41.7970 174.2865 105 D 4.4227 8.8762 126.5188 54.1661 41.4103 175.6093 106 P 4.4018 0.0000 0.0000 65.9535 31.4564 177.8946 107 Q 4.2695 8.9887 114.9846 57.1005 28.9322 176.9063 108 L 4.6597 8.2086 117.9267 54.0449 42.6024 177.7600 109 F 4.0208 7.9801 122.2648 61.4908 39.3124 176.6027 110 D 4.2798 8.2404 117.9534 57.4054 40.6503 178.5790 111 R 3.7606 7.9536 118.3829 59.2951 30.0288 178.1937 112 A 3.7713 7.7186 120.4989 55.0772 18.3379 179.7524 113 V 3.2284 7.2434 116.6559 66.3745 31.5381 178.4322 114 T 3.7868 7.9325 115.6169 66.3956 68.2813 176.8562 115 V 3.4557 8.0344 120.6160 66.0408 31.4565 178.0887 116 I 3.5000 7.6506 119.6684 64.1397 36.8084 178.7520 117 G 3.4691 7.7961 106.4266 47.9596 0.0000 175.7823 118 E 4.0267 8.3873 120.3578 58.2803 29.3943 178.1573 119 N 4.7536 7.7241 114.4911 51.5700 39.2070 174.8846 120 K 3.7875 7.8153 118.4687 57.3453 30.4174 175.2733 121 I 4.2478 7.7379 118.5845 59.5833 38.1658 176.3514 122 A 4.1066 8.6076 128.9826 52.1797 18.8708 176.4728 123 I 4.4087 8.2245 123.3259 59.8785 38.0518 175.9178 124 A 4.2033 8.7945 129.9246 55.1352 18.5746 177.0475 125 H 4.7896 8.1147 113.2123 56.1378 33.0492 174.3077 126 G 3.8375 8.3370 112.7476 43.6532 0.0000 171.0970 127 P 4.9017 0.0000 0.0000 63.2288 32.3046 176.3021 128 V 4.6460 9.0615 114.1888 59.9658 35.6908 174.6899 129 T 4.9224 8.4693 119.4615 60.9568 71.2808 172.2501 130 R 4.2928 8.9120 127.9493 55.8787 32.5629 176.6855 *132 T 4.2436 8.1822 115.2947 61.8234 69.7225 174.8593 133 G 4.1093 7.8301 107.6183 44.5357 0.0000 170.4483 134 R 5.0128 8.1899 117.0130 54.5243 34.1705 175.2437 135 G 4.6303 8.6435 107.1900 45.3933 0.0000 172.3674 136 V 5.1664 8.6268 120.4383 60.1669 35.2523 173.4838 137 Y 5.1613 9.2338 121.4915 56.3977 41.0842 174.6054 138 F 5.0132 8.0676 116.4738 56.1123 41.1495 173.1396 139 Y 4.9417 8.5086 117.9525 57.1361 39.5060 175.3763 140 D 3.4626 8.9060 122.9094 50.9468 41.1312 175.3636 141 P 4.0707 0.0000 0.0000 65.4198 31.4704 177.1792 142 D 4.6012 8.3495 115.6381 54.1739 41.4530 177.5530 143 G 4.0196 8.5001 108.1612 45.1405 0.0000 174.6025 144 F 4.8002 8.8089 127.7518 58.0357 39.5512 174.1616 *146 I 4.1722 8.0609 117.8242 60.9666 38.9000 174.2769 147 E 4.6278 8.8737 126.2432 54.2254 32.9214 174.3794 148 I 5.2186 8.5289 127.0468 59.5879 40.2242 174.8670 149 R 5.3722 9.2303 122.7754 54.9392 33.7046 173.5200 150 C 5.2617 8.5588 113.4346 56.7939 33.6998 173.4550 151 D 5.1756 8.4874 120.2509 52.9069 42.0036 174.1428 152 P 4.4350 0.0000 0.0000 62.3366 32.4111 176.6199 153 E 4.0884 8.7813 119.1628 57.2182 29.4062 177.3952 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 7 S 8.33 4.38 0.00 3.99 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 8 V 8.00 4.03 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 0.81 0.00 0.00 0.93 0.00 0.00 9 N 9.34 4.56 0.00 2.75 2.73 0.00 0.00 7.15 7.57 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 10 S 8.37 4.38 0.00 3.86 3.79 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 11 V 7.77 4.57 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 0.78 0.00 0.00 0.93 0.00 0.00 12 L 8.29 4.18 0.00 1.64 1.59 0.92 0.78 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 13 A 8.19 4.52 1.25 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 0.00 0.00 14 P 0.00 4.50 0.00 2.19 2.08 0.00 3.74 0.00 0.00 3.66 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 15 G 9.07 4.14 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 0.00 0.00 0.00 16 N 8.02 4.34 0.00 2.82 2.90 0.00 0.00 7.03 7.97 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 17 L 7.64 4.33 0.00 1.64 1.65 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.43 4.05 0.00 1.93 2.07 0.00 3.09 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 19 K 7.37 4.19 0.00 1.83 1.80 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.36 7.81 20 V 8.24 3.99 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 0.79 0.00 0.00 0.93 0.00 0.00 21 H 8.96 4.56 0.00 3.28 3.27 0.00 5.76 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 H 7.69 5.23 0.00 3.29 3.25 0.00 5.52 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 I 8.60 4.60 1.88 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 1.13 1.45 0.98 0.00 0.00 24 A 8.75 5.45 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 25 L 9.07 4.77 0.00 1.54 1.46 0.89 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.72 5.45 0.00 2.61 2.78 0.00 0.00 6.76 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 27 V 8.76 5.03 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 1.28 0.00 0.00 1.03 0.00 0.00 28 Q 9.59 4.02 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.60 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 29 D 7.72 4.83 0.00 2.70 2.51 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 0.00 *31 Q 8.41 4.37 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 32 A 8.36 4.10 1.45 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 0.00 0.00 33 S 8.35 4.33 0.00 4.09 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 0.00 34 R 8.20 4.16 0.00 2.19 2.27 0.00 3.22 0.00 0.00 3.39 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.89 0.00 35 Y 8.41 3.94 0.00 3.29 3.21 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 0.00 0.00 0.00 0.00 36 F 8.43 4.00 0.00 3.22 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 37 Y 8.35 3.90 0.00 2.64 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 38 G 7.69 3.47 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 0.00 0.00 0.00 39 T 7.32 3.73 3.43 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 0.71 0.00 0.00 40 I 7.31 3.60 1.61 0.00 0.00 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 1.42 0.45 0.58 0.00 0.00 41 L 7.34 3.48 0.00 1.50 1.35 0.60 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.29 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 43 L 7.50 4.17 0.00 1.62 1.71 0.81 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.64 4.50 0.00 3.39 3.24 0.00 5.77 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.48 4.52 0.00 1.86 1.66 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 1.93 1.74 0.00 46 L 8.26 4.65 0.00 1.38 1.48 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 47 T 9.13 4.26 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 1.16 0.00 0.00 48 D 8.65 4.52 0.00 2.77 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 49 D 7.97 4.55 0.00 2.79 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 50 E 8.31 4.38 0.00 1.99 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 2.25 2.23 0.00 51 V 7.33 4.17 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 0.67 0.00 0.00 0.92 0.00 0.00 52 P 0.00 4.21 0.00 2.17 1.99 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 53 A 9.09 4.37 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 54 T 7.90 4.14 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 55 L 8.29 4.64 0.00 1.60 1.64 0.89 0.89 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 56 T 7.42 3.84 4.23 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 1.25 0.00 0.00 57 E 8.09 3.99 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 58 L 7.79 4.12 0.00 1.87 1.70 0.99 1.05 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 59 V 8.38 4.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.85 0.00 0.00 60 A 7.84 4.01 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 61 S 8.70 4.41 0.00 4.02 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 7.52 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 63 K 8.37 4.25 0.00 1.90 1.93 0.00 1.51 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.50 7.81 64 V 7.61 4.88 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 0.46 0.00 0.00 0.80 0.00 0.00 65 A 8.71 4.84 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 66 N 8.21 5.30 0.00 2.48 2.55 0.00 0.00 6.85 8.13 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 67 F 9.17 5.36 0.00 2.94 2.93 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 68 I 9.03 5.36 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.03 0.93 0.00 0.00 69 T 8.66 4.86 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 1.46 0.00 0.00 70 P 0.00 4.23 0.00 2.21 2.25 0.00 3.81 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 2.02 1.98 0.00 71 D 8.07 4.58 0.00 2.82 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 72 G 8.31 4.01 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 0.00 0.00 0.00 73 T 7.88 4.05 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 74 I 8.35 4.96 2.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.13 0.98 0.00 0.00 75 L 9.25 5.07 0.00 1.79 1.63 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.92 5.11 0.00 2.75 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 0.00 0.00 0.00 0.00 77 L 8.85 5.09 0.00 1.55 1.63 1.27 0.88 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 78 F 9.25 4.86 0.00 3.20 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 79 G 9.11 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 80 E 9.40 5.00 0.00 1.84 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 0.00 2.47 2.40 0.00 81 P 0.00 4.66 0.00 2.19 2.21 0.00 3.39 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 82 E 8.03 4.43 0.00 1.98 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 2.25 2.32 0.00 83 L 7.54 4.48 0.00 1.80 1.58 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.13 4.84 0.00 3.81 3.74 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 0.00 0.00 0.00 0.00 85 P 0.00 4.62 0.00 2.34 2.08 0.00 3.79 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 2.00 1.96 0.00 86 P 0.00 4.17 0.00 1.66 1.94 0.00 3.86 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.05 0.00 87 D 7.84 4.64 0.00 3.01 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 P 0.00 4.24 0.00 2.08 2.12 0.00 3.75 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 89 N 8.23 4.57 0.00 2.76 2.84 0.00 0.00 6.93 8.79 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 90 P 0.00 4.18 0.00 0.49 1.64 0.00 3.67 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 1.50 1.58 0.00 91 E 8.31 4.13 0.00 2.04 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 2.46 2.34 0.00 92 K 7.84 3.97 0.00 1.61 1.73 0.00 1.40 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 0.61 7.81 93 T 7.84 4.42 4.07 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 1.19 0.00 0.00 94 F 8.02 4.87 0.00 3.04 2.93 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 95 T 8.31 4.28 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 1.25 0.00 0.00 96 R 8.45 3.99 0.00 2.06 2.13 0.00 3.22 0.00 0.00 3.23 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 97 A 8.72 4.15 1.47 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 0.00 0.00 98 Y 8.65 4.85 0.00 2.85 2.94 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 99 H 7.44 4.25 0.00 2.90 2.74 0.00 5.52 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 0.00 100 L 8.07 4.74 0.00 2.05 1.72 0.72 1.11 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 0.00 101 A 8.45 5.17 1.16 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 0.00 0.00 102 F 9.23 4.85 0.00 2.98 2.96 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 0.00 103 D 8.78 5.31 0.00 2.70 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 0.00 104 I 8.40 4.77 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.05 1.13 0.00 0.00 105 D 8.88 4.42 0.00 2.73 2.57 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 0.00 106 P 0.00 4.40 0.00 2.22 2.08 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 107 Q 8.99 4.27 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.75 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 108 L 8.21 4.66 0.00 1.75 1.63 0.91 0.85 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 0.00 109 F 7.98 4.02 0.00 3.14 3.07 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 0.00 110 D 8.24 4.28 0.00 2.74 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 0.00 111 R 7.95 3.76 0.00 1.86 2.05 0.00 3.15 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 112 A 7.72 3.77 1.11 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 0.00 0.00 113 V 7.24 3.23 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 0.91 0.00 0.00 0.40 0.00 0.00 114 T 7.93 3.79 4.29 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 1.16 0.00 0.00 115 V 8.03 3.46 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.87 0.00 0.00 116 I 7.65 3.50 1.74 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.13 0.63 0.00 0.00 117 G 7.80 3.47 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 0.00 0.00 0.00 118 E 8.39 4.03 0.00 1.83 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 2.41 0.00 119 N 7.72 4.75 0.00 2.75 2.83 0.00 0.00 7.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 K 7.82 3.79 0.00 1.87 1.86 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.38 7.81 121 I 7.74 4.25 1.86 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 1.38 0.71 1.04 0.00 0.00 122 A 8.61 4.11 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 0.00 123 I 8.22 4.41 1.91 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 1.35 0.61 1.14 0.00 0.00 124 A 8.79 4.20 0.99 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 0.00 125 H 8.11 4.79 0.00 3.07 2.99 0.00 5.89 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.34 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 0.00 127 P 0.00 4.90 0.00 2.34 2.21 0.00 3.74 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 2.05 2.04 0.00 128 V 9.06 4.65 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 1.07 0.00 0.00 129 T 8.47 4.92 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 1.15 0.00 0.00 130 R 8.91 4.29 0.00 1.87 1.15 0.00 3.16 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 *132 T 8.18 4.24 4.23 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 1.20 0.00 0.00 133 G 7.83 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 0.00 0.00 0.00 134 R 8.19 5.01 0.00 0.67 0.74 0.00 2.96 0.00 0.00 2.71 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.22 0.00 135 G 8.64 4.63 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 0.00 136 V 8.63 5.17 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 0.79 0.00 0.00 1.01 0.00 0.00 137 Y 9.23 5.16 0.00 2.75 2.65 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 0.00 0.00 0.00 0.00 138 F 8.07 5.01 0.00 3.13 2.96 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 0.00 139 Y 8.51 4.94 0.00 2.97 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 0.00 140 D 8.91 3.46 0.00 1.84 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 0.00 141 P 0.00 4.07 0.00 2.02 2.15 0.00 3.19 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 142 D 8.35 4.60 0.00 2.90 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 0.00 143 G 8.50 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 0.00 144 F 8.81 4.80 0.00 3.18 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 *146 I 8.06 4.17 1.08 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.13 1.03 0.00 0.00 147 E 8.87 4.63 0.00 1.54 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.47 0.00 148 I 8.53 5.22 2.01 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.92 1.00 0.00 0.00 149 R 9.23 5.37 0.00 1.90 2.00 0.00 2.78 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 150 C 8.56 5.26 0.00 3.04 3.15 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 0.00 151 D 8.49 5.18 0.00 2.57 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 0.00 152 P 0.00 4.43 0.00 2.05 2.18 0.00 3.78 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 153 E 8.78 4.09 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.