NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9283 8.0544 120.3868 60.9935 33.3854 174.7092 2 Q 4.3221 8.3110 124.9164 53.8306 30.9602 173.1676 3 L 4.9083 8.0210 125.2570 52.4653 45.9225 176.7105 4 S 4.5676 8.6741 117.0091 57.6320 65.4223 175.6952 5 G 3.6113 8.4841 108.2585 47.8280 0.0000 175.4892 6 E 3.9151 8.0437 121.0539 59.1181 29.7331 178.4931 7 E 3.9033 7.9774 118.2637 59.3230 29.4732 179.2832 8 K 3.8181 8.1650 119.3168 59.4204 32.2481 178.6602 9 A 3.9546 7.9550 120.5767 55.0673 18.3041 179.3862 10 A 3.9471 7.9461 119.2920 55.2371 18.5739 179.8775 11 V 3.5674 7.9919 116.9098 66.3449 31.4450 178.2782 12 L 4.1109 8.1716 118.4745 57.8528 41.2433 179.4626 13 A 4.0559 8.0465 119.7938 54.9434 18.5233 179.1611 14 L 3.8946 8.1043 119.1579 57.9028 42.2633 178.9213 15 W 3.9866 8.4240 127.9934 60.3747 30.3712 177.5745 16 D 4.5292 7.9235 118.2967 56.5092 40.2844 177.7346 17 K 4.5321 7.7369 116.5296 55.0301 32.6130 176.3088 18 V 3.6978 6.7146 120.6386 61.5861 31.6667 175.6293 19 N 4.4586 8.3709 126.3659 52.9660 38.8249 175.0114 20 E 3.8966 8.5822 129.1210 59.0419 29.5877 178.9635 21 E 3.8992 8.1261 119.1303 59.2430 29.8695 178.3786 22 E 3.8383 8.2139 119.1503 59.2158 29.6876 178.7964 23 V 3.4662 7.9553 118.8061 65.7329 31.5265 178.1926 24 G 3.6637 8.1934 105.5574 47.7489 0.0000 175.6822 25 G 3.6622 8.1197 108.9748 47.5570 0.0000 175.3311 26 E 3.9204 8.1394 121.8682 58.6448 29.6494 178.7359 27 A 3.9092 8.2636 121.3203 54.9816 18.5494 179.4378 28 L 3.9115 7.9635 119.0912 58.0105 42.0299 179.1705 29 G 3.6572 8.0007 105.7200 48.1383 0.0000 175.8368 30 R 3.8695 8.1663 121.0477 58.4395 29.9269 178.6739 31 L 4.0333 7.9488 120.2465 58.5387 41.8062 179.2599 32 L 4.0105 7.7432 119.6531 56.9322 41.2405 179.6486 33 V 3.6201 7.2251 117.5196 65.6397 31.7432 178.0075 34 V 3.5183 7.8820 117.1473 64.2787 32.8615 175.6392 35 Y 4.0524 7.4235 116.1794 54.4040 37.8496 174.1711 36 P 4.5246 0.0000 0.0000 64.2401 31.8594 177.8784 37 W 4.4492 8.2573 115.5523 59.5802 27.7875 177.9909 38 T 4.3314 7.4776 110.2370 64.1127 67.6888 176.0013 39 Q 4.3495 8.1783 121.2014 58.2034 28.4267 178.1894 40 R 3.5750 8.1738 119.5240 58.4663 30.1429 176.7604 41 F 4.3771 8.1228 115.3780 57.5276 39.9170 174.7477 42 F 4.8507 7.2985 117.2122 56.0439 42.8216 173.2992 *57 N 4.7220 8.3689 117.8378 53.6049 40.0187 174.6105 58 P 4.4484 0.0000 0.0000 64.5174 31.6995 177.5116 59 K 4.3987 7.9190 117.7464 57.3727 33.5393 178.7311 60 V 3.5052 7.6765 118.6157 65.6721 31.3579 177.5965 61 K 3.8030 8.0645 118.6084 59.6206 31.7291 178.2926 62 A 3.9951 7.6110 119.5778 55.5335 18.3322 179.1349 63 H 4.3202 8.6990 117.3327 59.0650 29.9596 177.3684 64 G 3.7548 8.6362 108.0608 47.9438 0.0000 175.3814 65 K 4.1467 8.1906 121.9592 59.2686 32.3087 179.0506 66 K 4.0939 7.8346 118.4344 59.2524 31.8220 179.5238 67 V 3.6862 7.8274 118.6130 66.1896 31.4690 178.1914 68 L 4.3632 8.1481 118.7683 58.1166 41.5679 178.9286 69 H 4.5880 8.5225 119.6861 58.7511 29.7680 177.3110 70 S 4.0646 8.2340 114.7381 61.3995 62.3179 175.9244 71 F 4.0749 8.7139 120.8999 60.6781 38.5917 177.6413 72 G 3.5189 8.7590 105.5119 48.0746 0.0000 175.3690 73 E 4.0832 7.8389 119.5467 58.9274 29.6870 179.3512 74 G 3.9126 7.8644 105.3101 48.0439 0.0000 175.8834 75 V 3.3950 7.3666 119.5336 65.1796 31.4162 176.7476 76 H 4.7444 7.3275 113.1569 55.6656 30.2672 174.7540 77 H 4.9396 8.1289 118.4878 54.8357 29.4878 175.0336 78 L 4.0681 7.8127 119.2432 57.4230 42.1316 178.4519 79 D 4.6795 7.9638 116.2644 54.6540 41.7923 176.6021 80 N 5.0120 7.8638 116.4868 50.7421 38.1839 175.6659 81 L 4.1545 7.8921 121.3366 58.3785 42.0418 179.3923 82 K 3.9781 8.0756 117.3373 59.5881 31.8818 179.0214 83 G 3.7161 7.9948 105.2325 48.1623 0.0000 175.5375 84 T 3.6820 7.4882 116.9514 65.4554 68.5538 175.7582 85 F 4.6841 7.7172 116.3718 56.8852 39.4227 177.0483 86 A 4.0183 7.6074 121.9148 55.5816 18.0263 180.3027 87 A 3.9264 7.8941 118.0731 55.4157 18.6097 179.7067 88 L 3.8598 7.9186 116.9419 57.7304 41.6822 179.5713 89 S 4.3311 8.5378 113.9582 61.3234 62.3974 176.0701 90 E 3.8660 8.0053 119.9355 59.2205 29.2008 178.4691 91 L 3.8645 8.0666 121.9007 58.5359 42.0382 178.9519 92 H 4.4351 8.1624 115.6041 58.8954 28.3012 176.9856 93 C 3.8294 8.4369 122.6442 61.0965 31.1694 175.0031 94 D 4.3442 8.0050 120.9025 55.2699 39.5868 177.9358 95 K 4.1185 7.5650 119.1738 58.5251 32.4800 177.7755 96 L 4.4620 7.4446 116.3970 54.3437 43.0829 176.1462 97 H 4.2653 7.8680 112.9701 56.0333 25.7244 175.1503 98 V 3.8219 8.0770 119.0007 61.5951 32.3609 174.9291 99 D 4.3362 8.5650 127.5361 53.4038 41.7337 175.0377 100 P 3.0392 0.0000 0.0000 64.6097 31.6818 177.8077 101 E 3.8424 8.1304 120.2592 59.4049 29.3212 178.2979 102 N 4.3939 7.8574 116.1271 55.6623 38.4787 177.3851 103 F 4.5048 7.4664 119.8954 60.5616 38.9641 177.8492 104 R 3.9954 7.9548 117.3224 59.0555 29.9751 178.7874 105 L 3.8108 7.6675 118.2872 57.7690 41.5818 179.1815 106 L 4.1072 8.1626 120.3299 58.2532 41.9720 179.1383 107 G 3.7848 8.2170 105.4648 48.2087 0.0000 175.4246 108 N 4.4819 8.2605 119.0147 55.7784 38.5123 177.7518 109 V 3.6402 8.0392 119.9012 65.8537 31.5251 177.8031 110 L 3.8108 8.1029 120.2359 58.0530 41.8257 179.0708 111 V 3.4990 7.7378 118.1808 66.0423 31.4949 178.1400 112 V 3.5363 7.8374 117.9181 65.9516 31.2669 178.1726 113 V 3.5147 7.8574 118.0180 65.9397 31.2886 178.0447 114 L 3.7730 7.8979 118.7128 57.4869 41.4600 179.2238 115 A 3.6625 7.3972 120.7536 55.0791 18.0711 179.7121 116 R 3.7542 7.6386 115.9147 59.8991 30.2333 178.2054 117 H 3.9256 8.0398 115.0772 57.9808 28.8634 176.8990 118 F 4.6554 8.4731 118.0180 55.7393 39.7630 177.6899 119 G 3.9623 8.5013 108.3788 46.3812 0.0000 177.7778 120 K 4.1073 8.8400 123.6366 58.6354 31.9465 177.6887 121 D 4.5033 7.8391 118.4952 56.7143 41.1935 177.0476 122 F 4.5218 8.0955 123.6798 56.9027 37.8258 175.3551 123 T 4.1375 7.3591 115.5154 60.4368 71.2577 173.3079 124 P 4.1593 0.0000 0.0000 66.0161 31.3740 178.8542 125 E 3.8872 7.9661 116.6411 59.2821 29.5390 178.9541 126 L 3.8999 7.7177 120.4119 58.0476 42.0362 178.6284 127 Q 3.6399 7.6747 119.3318 59.0873 28.7845 178.2086 128 A 3.9899 7.8999 121.6723 55.2938 18.4156 179.8320 129 S 4.0236 7.9517 113.2147 62.0470 62.8871 176.6009 130 Y 3.8795 8.2252 119.3199 60.8923 37.5272 178.5396 131 Q 4.1288 8.5691 119.5981 58.7438 28.7155 178.7436 132 K 3.9007 7.8401 119.4268 59.5242 32.0841 179.3901 133 V 3.5097 7.5862 118.1212 66.1293 31.3984 178.2076 134 V 3.7890 8.3647 118.1266 65.9838 31.3634 177.8312 135 A 4.1003 8.3756 120.8214 54.9079 18.1929 179.8047 136 G 3.5170 8.2968 104.4409 47.9249 0.0000 175.9890 137 V 3.0491 8.0082 121.4124 65.3790 31.6085 177.8369 138 A 3.8427 7.9992 120.4642 55.3656 17.9878 179.4112 139 N 4.3432 8.0676 113.6308 56.2901 38.5807 177.2618 140 A 4.1310 7.8953 122.3997 55.0071 18.2449 179.6422 141 L 3.8028 7.4812 116.3276 57.1442 41.8733 178.7587 142 A 4.2682 7.8939 119.5605 53.4253 18.3821 178.6400 143 H 4.0176 7.3792 116.8900 58.7324 31.0221 175.9062 144 K 4.3870 7.8472 120.8651 56.3189 31.6461 175.0595 145 Y 4.5632 8.5016 119.3885 59.3206 40.6728 176.4947 146 H 4.6236 8.2322 117.6486 55.6596 28.8105 173.0500 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 V 8.05 3.93 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 0.94 0.00 0.00 0.92 0.00 0.00 2 Q 8.31 4.32 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.63 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 3 L 8.02 4.91 0.00 1.56 1.48 0.86 0.85 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 4 S 8.67 4.57 0.00 4.05 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 5 G 8.48 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 6 E 8.04 3.92 0.00 2.04 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 2.36 2.39 0.00 7 E 7.98 3.90 0.00 2.21 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 2.30 2.29 0.00 8 K 8.16 3.82 0.00 1.78 1.98 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.42 7.81 9 A 7.95 3.95 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 10 A 7.95 3.95 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 11 V 7.99 3.57 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 0.65 0.00 0.00 0.67 0.00 0.00 12 L 8.17 4.11 0.00 1.77 1.78 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.05 4.06 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 14 L 8.10 3.89 0.00 1.81 1.86 0.08 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.42 3.99 0.00 3.82 3.30 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 16 D 7.92 4.53 0.00 2.89 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 17 K 7.74 4.53 0.00 1.88 2.07 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.44 7.81 18 V 6.71 3.70 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 0.00 0.00 -0.05 0.00 0.00 0.47 0.00 0.00 19 N 8.37 4.46 0.00 2.70 2.57 0.00 0.00 7.18 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.58 3.90 0.00 2.08 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 2.48 2.32 0.00 21 E 8.13 3.90 0.00 2.01 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 0.00 2.35 2.35 0.00 22 E 8.21 3.84 0.00 2.05 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 2.25 2.27 0.00 23 V 7.96 3.47 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 0.86 0.00 0.00 0.58 0.00 0.00 24 G 8.19 3.66 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 0.00 0.00 0.00 25 G 8.12 3.66 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 0.00 0.00 0.00 26 E 8.14 3.92 0.00 2.08 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 2.25 2.27 0.00 27 A 8.26 3.91 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 L 7.96 3.91 0.00 1.77 1.54 0.50 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.00 3.66 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 0.00 0.00 0.00 30 R 8.17 3.87 0.00 1.82 1.93 0.00 3.10 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 31 L 7.95 4.03 0.00 1.91 1.87 0.98 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.74 4.01 0.00 1.88 1.71 0.90 0.77 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 33 V 7.23 3.62 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 0.72 0.00 0.00 0.94 0.00 0.00 34 V 7.88 3.52 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 0.02 0.00 0.00 0.76 0.00 0.00 35 Y 7.42 4.05 0.00 2.53 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 36 P 0.00 4.52 0.00 2.25 2.13 0.00 3.85 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 2.16 1.96 0.00 37 W 8.26 4.45 0.00 3.67 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 38 T 7.48 4.33 4.43 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 1.04 0.00 0.00 39 Q 8.18 4.35 0.00 2.38 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 40 R 8.17 3.58 0.00 1.84 1.71 0.00 3.13 0.00 0.00 2.91 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.45 0.00 41 F 8.12 4.38 0.00 2.49 2.52 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 42 F 7.30 4.85 0.00 2.98 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 *57 N 8.37 4.72 0.00 2.75 2.81 0.00 0.00 6.67 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.45 0.00 2.26 2.29 0.00 3.74 0.00 0.00 3.77 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 59 K 7.92 4.40 0.00 1.84 1.94 0.00 1.75 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.49 1.39 7.81 60 V 7.68 3.51 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 0.92 0.00 0.00 0.91 0.00 0.00 61 K 8.06 3.80 0.00 1.85 1.96 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.50 1.50 7.81 62 A 7.61 4.00 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 63 H 8.70 4.32 0.00 3.33 3.38 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.64 3.75 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 0.00 0.00 0.00 65 K 8.19 4.15 0.00 1.92 2.01 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.50 7.81 66 K 7.83 4.09 0.00 1.92 1.91 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.77 1.66 7.81 67 V 7.83 3.69 2.31 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 1.40 0.00 0.00 0.98 0.00 0.00 68 L 8.15 4.36 0.00 1.96 1.89 1.08 1.07 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 69 H 8.52 4.59 0.00 3.45 3.58 0.00 5.83 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 70 S 8.23 4.06 0.00 4.14 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 71 F 8.71 4.07 0.00 3.55 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 72 G 8.76 3.52 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 0.00 73 E 7.84 4.08 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 2.26 2.37 0.00 74 G 7.86 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 75 V 7.37 3.39 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 0.49 0.00 0.00 0.25 0.00 0.00 76 H 7.33 4.74 0.00 3.00 3.14 0.00 5.67 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.13 4.94 0.00 3.12 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.81 4.07 0.00 1.59 1.69 0.87 1.04 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 79 D 7.96 4.68 0.00 2.65 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 80 N 7.86 5.01 0.00 2.91 2.90 0.00 0.00 6.93 6.03 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 81 L 7.89 4.15 0.00 1.75 1.87 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.08 3.98 0.00 1.67 1.73 0.00 1.71 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.48 7.81 83 G 7.99 3.72 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 0.00 0.00 0.00 84 T 7.49 3.68 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 0.47 0.00 0.00 85 F 7.72 4.68 0.00 3.04 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 86 A 7.61 4.02 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 87 A 7.89 3.93 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 88 L 7.92 3.86 0.00 1.99 1.84 1.07 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.54 4.33 0.00 4.04 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 90 E 8.01 3.87 0.00 2.38 2.17 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 2.48 2.24 0.00 91 L 8.07 3.86 0.00 1.82 1.67 0.90 1.26 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 92 H 8.16 4.44 0.00 3.65 3.75 0.00 5.66 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 93 C 8.44 3.83 0.00 1.54 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.01 4.34 0.00 2.82 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 95 K 7.56 4.12 0.00 1.95 1.89 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.53 7.81 96 L 7.44 4.46 0.00 1.85 1.88 1.05 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.87 4.27 0.00 3.45 3.48 0.00 5.74 0.00 0.00 0.00 0.00 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.08 3.82 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 0.20 0.00 0.00 0.56 0.00 0.00 99 D 8.57 4.34 0.00 2.76 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 0.00 100 P 0.00 3.04 0.00 2.00 1.73 0.00 3.48 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.29 0.00 101 E 8.13 3.84 0.00 2.17 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 2.23 2.43 0.00 102 N 7.86 4.39 0.00 2.53 2.74 0.00 0.00 6.96 8.19 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 0.00 103 F 7.47 4.50 0.00 3.11 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 0.00 104 R 7.95 4.00 0.00 2.00 1.99 0.00 3.14 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 105 L 7.67 3.81 0.00 1.70 1.26 0.69 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.16 4.11 0.00 1.85 1.83 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.22 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 0.00 0.00 0.00 108 N 8.26 4.48 0.00 2.95 2.95 0.00 0.00 6.69 7.70 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 0.00 109 V 8.04 3.64 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.18 0.00 0.00 110 L 8.10 3.81 0.00 1.53 1.65 0.77 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.74 3.50 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 1.15 0.00 0.00 1.12 0.00 0.00 112 V 7.84 3.54 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 0.91 0.00 0.00 0.96 0.00 0.00 113 V 7.86 3.51 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 1.00 0.00 0.00 0.89 0.00 0.00 114 L 7.90 3.77 0.00 1.10 0.96 0.48 1.11 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 0.00 115 A 7.40 3.66 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 0.00 116 R 7.64 3.75 0.00 1.86 1.93 0.00 3.18 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 117 H 8.04 3.93 0.00 2.61 2.42 0.00 5.69 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.47 4.66 0.00 3.26 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 0.00 119 G 8.50 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 0.00 0.00 0.00 120 K 8.84 4.11 0.00 1.80 1.93 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.49 7.81 121 D 7.84 4.50 0.00 2.97 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 0.00 122 F 8.10 4.52 0.00 3.04 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 0.00 123 T 7.36 4.14 4.33 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 1.29 0.00 0.00 124 P 0.00 4.16 0.00 2.15 2.14 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 125 E 7.97 3.89 0.00 2.00 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 2.37 2.40 0.00 126 L 7.72 3.90 0.00 1.67 1.33 1.08 0.82 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 0.00 127 Q 7.67 3.64 0.00 1.68 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 128 A 7.90 3.99 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 0.00 129 S 7.95 4.02 0.00 4.01 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 0.00 130 Y 8.23 3.88 0.00 3.20 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 0.00 131 Q 8.57 4.13 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.71 2.60 0.00 132 K 7.84 3.90 0.00 1.91 1.83 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.60 7.81 133 V 7.59 3.51 2.13 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 1.03 0.00 0.00 0.75 0.00 0.00 134 V 8.36 3.79 2.35 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 1.09 0.00 0.00 1.14 0.00 0.00 135 A 8.38 4.10 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 G 8.30 3.52 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 0.00 137 V 8.01 3.05 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 -0.10 0.00 0.00 0.85 0.00 0.00 138 A 8.00 3.84 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 0.00 139 N 8.07 4.34 0.00 2.82 2.91 0.00 0.00 7.05 6.88 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 0.00 140 A 7.90 4.13 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 0.00 141 L 7.48 3.80 0.00 0.92 0.50 0.06 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.89 4.27 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 0.00 143 H 7.38 4.02 0.00 3.19 3.55 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.85 4.39 0.00 1.77 1.72 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.35 7.81 145 Y 8.50 4.56 0.00 2.85 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 0.00 146 H 8.23 4.62 0.00 3.19 3.28 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.