NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.7970 8.1185 122.4876 52.0034 20.6762 175.3180 3 A 4.9932 9.0851 121.5112 49.1216 23.0275 173.0652 4 L 5.0540 9.8397 123.7398 53.4162 44.8786 173.5300 5 I 4.4703 8.4412 127.8775 59.6471 38.6546 175.4049 6 D 4.4963 8.6391 127.4296 54.0403 42.2736 177.0422 7 T 4.2724 8.4075 121.7882 66.3410 68.4024 176.8314 8 G 3.8141 8.1481 106.5325 47.7050 0.0000 175.5102 9 I 3.4790 7.2216 121.4611 64.4160 36.9376 178.4372 10 F 4.2666 7.3865 117.8921 60.4412 38.6903 177.3350 11 F 4.4539 8.7814 120.6429 61.4647 39.3209 177.3885 12 G 3.7625 8.5880 106.8203 47.0951 0.0000 175.3663 13 F 4.0598 7.9297 121.8425 61.3341 39.5659 176.3480 14 Y 4.5588 7.8507 115.4940 58.5982 38.1990 175.0183 15 S 4.4289 7.8161 115.2487 56.7563 61.4203 174.3771 16 L 3.4243 8.1928 128.9023 56.9309 41.5471 178.5461 17 K 4.2908 7.6063 114.9957 55.8896 32.7366 176.1425 18 D 4.4937 7.6034 120.5395 53.7367 41.6659 177.5602 19 V 3.5864 8.3747 124.6796 64.6741 31.5822 176.5102 20 H 4.6998 8.4123 116.3997 55.7712 28.6010 176.0612 21 H 4.9431 7.9580 115.9982 57.3197 29.5401 176.4992 *23 D 4.8833 8.1719 118.5212 54.6337 42.5825 178.0681 24 S 4.2056 8.5551 115.4214 61.4760 62.6767 176.7745 25 V 3.9077 7.9881 120.9745 66.1524 31.2192 177.9379 26 A 4.1733 8.0391 119.7760 55.3501 18.3977 179.4760 27 I 3.6728 8.1333 118.5497 64.4735 37.0527 178.8626 28 V 3.6009 8.3594 119.4123 65.9014 31.3708 178.0786 29 V 3.6431 8.1446 118.1638 66.5724 31.3796 177.6246 30 H 4.2315 8.5044 115.6048 58.7601 28.4873 177.6207 31 A 4.3208 8.7886 122.8669 55.6425 18.1644 180.2804 32 V 3.6678 7.9865 109.3642 64.1425 31.6740 178.0288 33 E 4.2440 8.1293 116.6907 57.1126 29.7056 177.5846 34 G 3.9757 8.2798 108.4142 44.8718 0.0000 175.0763 35 K 3.4606 7.7777 122.0751 58.5365 31.9059 177.5016 36 W 4.7204 8.1059 114.5606 55.9771 30.3276 177.5195 37 G 3.9420 7.8885 105.7854 45.0490 0.0000 173.6744 38 R 3.9744 8.5047 122.0099 56.4797 31.7013 175.9924 39 L 5.0700 8.2286 125.1168 53.0920 44.1781 175.3336 40 F 5.4908 9.2740 122.1601 55.8089 42.7408 174.7306 41 V 4.9683 8.7566 114.1805 59.6848 35.7781 175.7401 42 T 4.6261 8.3278 112.9203 60.7082 70.1282 175.4939 43 N 4.3117 8.6199 119.8791 55.9043 37.0135 177.2860 44 H 4.1785 8.1263 118.7447 58.9177 28.9194 177.4342 45 I 3.7122 7.9374 121.6890 64.1118 36.8846 178.1501 46 L 3.9385 8.2291 121.5191 58.2056 41.9657 178.3924 47 D 4.3159 8.1553 117.8254 57.4615 41.1768 177.8702 48 E 3.9027 8.3360 119.7184 59.5410 29.2925 178.8972 49 T 3.7357 8.1647 115.9682 66.5619 68.5446 176.4606 50 L 3.9501 7.8243 120.7538 58.3284 41.6388 179.9136 51 T 3.8621 7.9277 115.3136 66.5115 68.2972 176.6109 52 L 4.0002 8.0130 122.1871 58.0870 42.1705 178.7853 53 L 4.0800 8.2263 119.3913 57.7900 41.5622 179.5379 54 K 3.9336 8.0326 119.3354 59.6856 31.9690 178.1148 55 Y 4.1840 8.1555 118.8674 60.6038 38.7720 177.4553 56 K 4.1543 8.2937 116.3745 55.3944 32.5605 176.7637 57 K 3.7907 7.7621 117.5368 57.7394 29.8733 175.1040 58 L 4.6893 8.0142 117.3336 52.4200 44.7851 177.0370 59 P 4.6705 0.0000 0.0000 62.0667 26.9228 176.9867 60 A 3.9844 7.7509 123.6912 55.0974 18.8941 178.9323 61 D 4.3224 8.0458 117.0304 56.8650 39.3921 179.0195 62 K 4.0830 7.9835 119.7626 58.6019 32.0398 178.8876 63 F 4.6321 8.3825 122.8167 60.8454 39.3495 176.7525 64 L 3.8213 8.2638 118.7098 58.1120 41.3755 179.5104 65 E 4.2798 7.7432 119.2197 59.1247 29.3113 179.9172 66 G 3.5473 8.3744 104.6081 46.8353 0.0000 174.6846 67 F 4.4922 8.1800 118.9459 58.3416 40.5278 177.5535 68 V 3.7107 7.1202 116.7929 65.3346 31.6349 177.7021 69 E 3.9897 8.6846 118.8067 59.2653 29.1403 179.4362 70 S 4.2058 7.5607 111.8243 59.0558 63.0986 175.3286 71 G 3.8637 7.7970 109.8342 46.0303 0.0000 174.6822 72 V 3.6426 7.5538 120.9207 65.1490 31.6106 176.2614 73 L 4.8463 7.7319 118.1467 53.2930 43.3355 176.0208 74 N 4.8972 8.9955 120.4009 51.9262 40.8964 173.8949 75 I 4.7189 8.2581 123.0660 59.7628 39.4316 174.9380 76 I 4.1830 8.4808 128.1932 59.9788 38.9236 174.4035 77 Y 5.0011 8.3613 125.9839 56.5997 38.5476 175.6715 78 T 4.0877 8.5297 116.5590 61.2190 69.8928 175.2252 79 D 4.7991 8.4172 125.9043 52.1025 42.6622 176.8795 80 D 4.4217 8.5214 118.5554 56.5222 39.1456 178.2001 81 E 3.9095 8.2104 120.4254 59.0136 29.7285 178.5466 82 V 3.5891 8.3436 118.5471 66.2419 31.5015 177.9409 83 E 4.0027 8.3651 118.2465 59.1135 29.1497 179.1311 84 R 3.9322 8.3092 119.1735 59.5673 30.1543 178.7852 85 K 4.2788 8.2294 118.7508 58.9077 32.0560 179.2257 86 A 3.9963 8.2755 121.3070 54.9670 18.1903 179.3793 87 L 4.2415 8.4537 119.2482 58.4376 41.8250 179.0201 88 E 4.0123 8.0840 118.3655 59.4785 29.4393 179.5430 89 V 3.6434 7.9097 118.1408 65.9412 31.3982 177.7947 90 F 4.1838 8.6638 119.5018 61.1902 39.7199 176.5471 91 K 4.0095 8.7701 119.4716 59.6347 31.7912 178.5123 92 A 4.0366 7.9760 119.6319 54.3612 18.4103 178.8452 93 R 4.4736 7.1508 114.4979 55.9161 30.4112 178.6534 94 V 2.9428 7.0709 121.2143 64.3055 31.2119 176.5676 95 Y 4.4906 7.3228 115.0603 57.7730 38.5545 174.7193 96 E 4.3922 7.9381 121.9703 54.2786 30.3367 175.7130 97 K 3.8030 8.5778 125.6624 58.0485 32.6075 176.6199 98 G 3.7875 8.9318 113.0721 45.6948 0.0000 172.5104 99 F 4.4748 7.6145 120.9414 56.3636 39.7984 176.3356 100 S 4.7467 8.1134 124.1650 57.3326 65.8711 174.3793 101 Y 4.1337 8.4609 121.7524 60.9543 38.3306 177.5540 102 T 3.7748 7.9796 116.3577 66.8740 68.5455 175.9926 103 D 4.3594 7.8894 120.3118 57.0655 40.7757 178.5815 104 A 4.2502 7.5048 121.2654 55.3477 18.3253 179.7523 105 I 3.4525 7.3858 118.1329 64.5779 37.0536 178.7592 106 S 4.0278 8.2907 116.2965 61.6385 62.6227 176.7726 107 E 3.9106 8.4563 121.1635 59.3002 29.1856 179.4724 108 V 3.5172 7.5980 117.7949 66.0250 31.5680 178.2481 109 V 3.4536 7.9296 117.7897 66.0139 31.4026 177.8724 110 A 3.8602 8.0846 120.7365 54.9299 18.2290 179.3102 111 E 3.8312 8.1056 117.9066 59.5408 29.5535 178.9684 112 E 4.0302 8.2796 117.6750 58.8824 29.6059 177.7455 113 L 4.3267 7.9513 115.7421 53.5407 42.2621 176.2743 114 K 3.8210 7.2307 115.8747 57.3623 29.9612 175.2421 115 L 4.6730 7.6910 117.1318 53.4386 43.4913 178.0609 116 K 4.0265 8.7720 124.5992 56.3635 33.6195 175.3318 117 L 4.5819 8.3326 129.3245 53.8589 43.6335 174.9469 118 I 4.3352 8.0369 128.8867 60.2147 38.3881 174.9036 119 S 4.4222 8.3046 120.0702 57.7589 65.2849 174.9001 120 Y 4.4312 8.2396 122.1949 59.1008 38.2464 175.2521 121 D 4.4885 8.0555 120.3570 54.0204 40.6506 175.5315 122 S 4.5929 8.7180 120.6171 58.9111 63.1291 174.8130 123 R 4.4898 7.9291 118.7662 56.2248 30.8752 176.6552 124 F 4.7611 7.9522 117.1778 57.4888 39.4322 175.5414 125 S 4.4246 9.4155 117.8686 59.3662 63.4203 174.1502 126 L 4.7756 7.5683 120.9668 51.9255 43.8036 174.4057 127 P 4.4779 0.0000 0.0000 63.1288 31.8344 175.5263 128 T 4.8157 8.1329 108.7103 59.9225 72.0021 172.8923 129 I 4.5023 9.4750 123.1561 58.3205 39.4341 177.2223 130 G 4.6138 8.8718 123.5155 46.9640 0.0000 173.0954 131 R 4.2682 7.8066 119.4395 57.4407 30.7156 175.9479 132 D 4.5820 9.1012 120.3438 55.3812 38.7638 175.6448 133 Y 4.0482 8.2119 120.7688 60.5600 38.7061 176.9714 134 W 4.4674 8.9940 129.3109 60.6862 30.7632 178.0545 135 K 4.0280 7.5505 113.8429 58.2544 31.5525 178.4962 136 S 4.3946 7.4206 112.9106 58.2529 63.7480 174.4579 137 L 4.1474 6.5216 122.4434 53.7733 42.4714 176.9565 138 D 4.3767 8.2969 120.2868 54.6387 42.6924 177.6101 139 E 3.8034 8.6977 123.1414 59.4813 29.6048 179.5290 140 S 4.1255 7.9034 113.8887 61.2771 63.1559 175.9848 141 E 3.9538 7.8846 122.5034 58.8469 29.4781 178.6415 142 R 3.5086 7.6918 118.2233 59.1289 30.0939 179.1340 143 K 4.0384 7.9009 117.9700 59.3778 32.0506 179.3062 144 R 3.9299 7.9771 118.9026 59.6642 29.9554 178.6772 145 I 3.8601 8.0269 119.4793 64.5499 37.1593 178.5631 146 S 4.1833 8.9573 116.2486 61.4994 62.6742 176.6708 147 A 4.0137 8.2238 123.3191 55.2647 18.1871 179.5244 148 I 3.6477 7.7684 118.3394 64.5147 37.3584 178.1387 149 L 3.9111 8.2269 121.4411 58.4179 41.7214 179.2747 150 R 4.1165 7.9022 114.2809 58.8995 29.6989 178.1779 151 E 4.1483 8.4984 119.1684 59.1153 28.5384 178.7339 152 K 4.2770 8.3425 116.9725 56.3080 32.0598 177.7319 153 G 4.0935 7.6622 106.5552 46.1277 0.0000 174.3348 154 I 3.9027 6.8401 110.3123 61.3291 38.3700 175.6729 155 D 4.4510 8.7696 120.0759 54.5430 39.9882 175.0441 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 A 8.12 4.80 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 A 9.09 4.99 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 9.84 5.05 0.00 1.65 1.39 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.44 4.47 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.69 0.12 0.00 0.00 6 D 8.64 4.50 0.00 2.76 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 0.00 0.00 0.00 0.00 7 T 8.41 4.27 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 1.23 0.00 0.00 8 G 8.15 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 0.00 0.00 0.00 0.00 9 I 7.22 3.48 1.06 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.75 0.43 0.00 0.00 10 F 7.39 4.27 0.00 3.08 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 11 F 8.78 4.45 0.00 3.20 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 12 G 8.59 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 0.00 0.00 0.00 13 F 7.93 4.06 0.00 3.04 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 14 Y 7.85 4.56 0.00 3.06 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 15 S 7.82 4.43 0.00 2.74 3.11 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 16 L 8.19 3.42 0.00 1.52 1.49 0.85 0.77 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 17 K 7.61 4.29 0.00 1.68 1.79 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.31 7.81 18 D 7.60 4.49 0.00 2.65 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.37 3.59 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 0.55 0.00 0.00 0.83 0.00 0.00 20 H 8.41 4.70 0.00 3.17 2.66 0.00 5.63 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 H 7.96 4.94 0.00 3.29 3.15 0.00 5.85 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *23 D 8.17 4.88 0.00 2.96 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 24 S 8.56 4.21 0.00 4.09 4.16 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 25 V 7.99 3.91 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 1.07 0.00 0.00 0.59 0.00 0.00 26 A 8.04 4.17 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 0.00 0.00 0.00 0.00 0.00 27 I 8.13 3.67 1.74 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 -0.09 0.59 0.00 0.00 28 V 8.36 3.60 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 0.92 0.00 0.00 0.68 0.00 0.00 29 V 8.14 3.64 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 1.07 0.00 0.00 1.08 0.00 0.00 30 H 8.50 4.23 0.00 3.43 2.94 0.00 5.68 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 31 A 8.79 4.32 1.61 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 32 V 7.99 3.67 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 0.78 0.00 0.00 1.04 0.00 0.00 33 E 8.13 4.24 0.00 2.15 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 2.35 2.47 0.00 34 G 8.28 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 0.00 0.00 0.00 35 K 7.78 3.46 0.00 1.24 0.91 0.00 1.18 0.00 0.00 0.61 0.00 0.00 2.47 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.30 0.85 7.81 36 W 8.11 4.72 0.00 3.51 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 37 G 7.89 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 0.00 0.00 0.00 38 R 8.50 3.97 0.00 1.88 1.77 0.00 2.87 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.46 0.00 39 L 8.23 5.07 0.00 1.73 1.58 1.02 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 40 F 9.27 5.49 0.00 3.00 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 41 V 8.76 4.97 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.96 0.00 0.00 42 T 8.33 4.63 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 1.16 0.00 0.00 43 N 8.62 4.31 0.00 3.02 3.07 0.00 0.00 7.42 7.52 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 44 H 8.13 4.18 0.00 3.19 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.94 3.71 2.03 0.00 0.00 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 1.44 0.72 1.09 0.00 0.00 46 L 8.23 3.94 0.00 1.81 1.85 1.03 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.16 4.32 0.00 2.85 2.82 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 0.00 0.00 0.00 48 E 8.34 3.90 0.00 2.18 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 2.26 2.31 0.00 49 T 8.16 3.74 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 0.25 0.00 0.00 50 L 7.82 3.95 0.00 1.70 1.76 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.93 3.86 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 1.17 0.00 0.00 52 L 8.01 4.00 0.00 1.78 1.87 0.80 0.25 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 53 L 8.23 4.08 0.00 1.63 1.64 0.52 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.03 3.93 0.00 1.95 2.05 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.47 7.81 55 Y 8.16 4.18 0.00 3.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.29 4.15 0.00 2.02 2.00 0.00 2.07 0.00 0.00 1.70 0.00 0.00 3.21 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.78 1.90 7.81 57 K 7.76 3.79 0.00 1.88 1.86 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.31 7.81 58 L 8.01 4.69 0.00 1.74 1.57 1.00 1.04 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 59 P 0.00 4.67 0.00 1.82 1.97 0.00 3.40 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 2.20 2.15 0.00 60 A 7.75 3.98 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 61 D 8.05 4.32 0.00 2.89 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 62 K 7.98 4.08 0.00 1.99 2.10 0.00 1.81 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.60 1.53 7.81 63 F 8.38 4.63 0.00 3.00 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 64 L 8.26 3.82 0.00 2.05 1.72 0.95 1.17 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 65 E 7.74 4.28 0.00 2.03 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 2.33 2.39 0.00 66 G 8.37 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 67 F 8.18 4.49 0.00 2.19 2.55 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 0.00 0.00 0.00 68 V 7.12 3.71 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 1.05 0.00 0.00 0.54 0.00 0.00 69 E 8.68 3.99 0.00 2.11 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 2.40 0.00 70 S 7.56 4.21 0.00 3.98 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 0.00 71 G 7.80 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 0.00 0.00 0.00 72 V 7.55 3.64 2.14 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 0.85 0.00 0.00 0.80 0.00 0.00 73 L 7.73 4.85 0.00 1.55 1.58 0.74 1.16 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 74 N 9.00 4.90 0.00 2.03 2.71 0.00 0.00 6.79 7.19 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 75 I 8.26 4.72 1.59 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.52 0.34 0.00 0.00 76 I 8.48 4.18 1.77 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.82 0.82 0.00 0.00 77 Y 8.36 5.00 0.00 2.94 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 78 T 8.53 4.09 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 1.21 0.00 0.00 79 D 8.42 4.80 0.00 2.99 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 80 D 8.52 4.42 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.21 3.91 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 82 V 8.34 3.59 2.20 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 1.01 0.00 0.00 1.00 0.00 0.00 83 E 8.37 4.00 0.00 2.11 2.14 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 2.41 2.66 0.00 84 R 8.31 3.93 0.00 2.02 2.10 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 85 K 8.23 4.28 0.00 2.01 1.85 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.44 7.81 86 A 8.28 4.00 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 87 L 8.45 4.24 0.00 2.21 1.90 0.94 1.03 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 88 E 8.08 4.01 0.00 2.23 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 2.37 2.59 0.00 89 V 7.91 3.64 2.34 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 1.16 0.00 0.00 1.04 0.00 0.00 90 F 8.66 4.18 0.00 3.30 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 0.00 91 K 8.77 4.01 0.00 1.98 2.06 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.47 7.81 92 A 7.98 4.04 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 93 R 7.15 4.47 0.00 1.38 1.43 0.00 2.55 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.41 0.00 94 V 7.07 2.94 1.72 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 -0.45 0.00 0.00 0.62 0.00 0.00 95 Y 7.32 4.49 0.00 2.99 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 96 E 7.94 4.39 0.00 2.01 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 2.23 2.16 0.00 97 K 8.58 3.80 0.00 1.72 1.73 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.46 7.81 98 G 8.93 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 0.00 0.00 0.00 99 F 7.61 4.47 0.00 2.92 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 0.00 100 S 8.11 4.75 0.00 4.10 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 8.46 4.13 0.00 2.62 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 0.00 102 T 7.98 3.77 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 103 D 7.89 4.36 0.00 1.58 1.61 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 A 7.50 4.25 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 7.39 3.45 1.76 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.18 0.80 0.00 0.00 106 S 8.29 4.03 0.00 4.07 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 0.00 107 E 8.46 3.91 0.00 2.35 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 2.66 3.07 0.00 108 V 7.60 3.52 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 1.11 0.00 0.00 0.99 0.00 0.00 109 V 7.93 3.45 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 0.88 0.00 0.00 0.89 0.00 0.00 110 A 8.08 3.86 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 0.00 111 E 8.11 3.83 0.00 2.16 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 0.00 2.28 2.33 0.00 112 E 8.28 4.03 0.00 1.99 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 2.42 0.00 113 L 7.95 4.33 0.00 1.50 1.51 0.61 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 114 K 7.23 3.82 0.00 1.93 1.86 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.36 7.81 115 L 7.69 4.67 0.00 1.44 1.55 0.67 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.77 4.03 0.00 1.86 1.57 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.33 7.81 117 L 8.33 4.58 0.00 1.54 1.43 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.04 4.34 1.39 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.09 0.29 0.00 0.00 119 S 8.30 4.42 0.00 3.67 3.65 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 0.00 120 Y 8.24 4.43 0.00 3.00 2.80 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 0.00 121 D 8.06 4.49 0.00 2.69 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 0.00 122 S 8.72 4.59 0.00 4.07 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 0.00 123 R 7.93 4.49 0.00 1.91 1.98 0.00 3.33 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 124 F 7.95 4.76 0.00 3.12 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 0.00 125 S 9.42 4.42 0.00 3.99 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 0.00 126 L 7.57 4.78 0.00 1.55 1.55 0.82 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 4.48 0.00 2.18 2.07 0.00 3.69 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 1.98 1.96 0.00 128 T 8.13 4.82 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 1.20 0.00 0.00 129 I 9.47 4.50 1.47 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 1.29 0.72 0.91 0.00 0.00 130 G 8.87 4.61 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 0.00 131 R 7.81 4.27 0.00 1.95 2.01 0.00 3.46 0.00 0.00 3.48 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.87 0.00 132 D 9.10 4.58 0.00 2.92 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 0.00 133 Y 8.21 4.05 0.00 3.49 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 0.00 134 W 8.99 4.47 0.00 3.61 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 7.55 4.03 0.00 1.88 1.85 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.57 7.81 136 S 7.42 4.39 0.00 3.95 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 0.00 137 L 6.52 4.15 0.00 1.25 1.43 0.92 1.15 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 0.00 138 D 8.30 4.38 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.70 3.80 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 140 S 7.90 4.13 0.00 4.06 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 0.00 141 E 7.88 3.95 0.00 2.06 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 0.00 2.42 2.51 0.00 142 R 7.69 3.51 0.00 1.83 1.61 0.00 2.96 0.00 0.00 2.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 143 K 7.90 4.04 0.00 1.99 1.88 0.00 1.67 0.00 0.00 1.58 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.75 7.81 144 R 7.98 3.93 0.00 2.02 2.13 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 145 I 8.03 3.86 2.28 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.70 1.11 0.00 0.00 146 S 8.96 4.18 0.00 4.19 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 0.00 147 A 8.22 4.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.77 3.65 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.72 0.96 0.00 0.00 149 L 8.23 3.91 0.00 1.79 1.86 0.84 0.89 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 0.00 150 R 7.90 4.12 0.00 2.02 2.04 0.00 3.13 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.68 0.00 151 E 8.50 4.15 0.00 2.06 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 2.39 0.00 152 K 8.34 4.28 0.00 2.01 1.86 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.47 7.81 153 G 7.66 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 I 6.84 3.90 2.12 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.66 0.98 0.00 0.00 155 D 8.77 4.45 0.00 2.63 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 * Residues marked with a * may have inaccurate shift predictions.