NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3070 8.3044 120.2967 54.9874 34.3021 176.0484 2 D 4.5263 7.3483 121.9733 52.8677 39.3860 174.3579 3 F 4.9859 8.8876 120.8439 57.1584 41.0577 175.1217 4 R 4.9741 9.2418 119.8299 54.5666 34.6813 174.1810 5 I 5.0059 8.4919 114.9144 59.2881 40.9295 174.4396 6 G 4.4424 9.0802 110.1959 44.6850 0.0000 171.2305 7 Q 5.2243 8.6311 117.5380 54.2553 32.6847 174.1789 8 G 4.3974 9.2991 106.9092 44.9835 0.0000 170.8257 9 Y 5.4742 8.4862 121.7362 56.0539 42.2487 173.5264 10 D 4.6571 8.0678 123.6879 53.2967 45.4087 174.1782 11 V 4.9199 7.7256 121.6432 60.8872 34.3799 173.1685 12 H 4.9986 8.8693 119.5340 53.7868 33.4584 172.9671 13 Q 4.5216 8.7426 120.1348 56.1306 30.1178 175.1232 14 L 5.0674 8.5497 125.7500 53.9375 42.9030 175.8707 15 V 4.6882 8.8454 119.4877 58.7456 36.3317 173.7788 16 P 4.4917 0.0000 0.0000 63.4912 31.9554 177.1182 17 G 3.9810 9.4697 109.5749 45.4367 0.0000 173.5600 18 R 4.7051 7.3961 117.6614 53.1849 34.0075 172.7807 19 P 4.6394 0.0000 0.0000 62.7415 32.7261 175.6801 20 L 4.3923 8.5059 124.1409 54.4205 43.1995 175.2204 21 I 5.0577 8.2787 127.5532 59.5991 40.5225 175.0185 22 I 4.6368 8.3443 127.8423 60.4431 40.2241 175.9819 23 G 3.8588 9.8126 113.4628 46.6708 0.0000 174.9636 24 G 3.9310 8.8851 106.3573 45.1953 0.0000 174.2652 25 V 4.1239 7.4166 120.6037 61.1016 32.5656 174.7588 26 T 4.5910 8.4704 124.5020 63.6536 68.8025 173.8362 27 I 4.3573 8.5205 128.9915 58.5701 38.8819 174.1164 28 P 4.4480 0.0000 0.0000 63.2801 31.3485 175.1695 29 Y 4.7678 8.2802 122.4430 56.4989 41.3982 174.6751 30 E 3.6148 7.9542 124.8535 58.5483 29.7821 176.9509 31 R 4.9025 7.0367 115.8014 54.3246 34.3769 174.4107 32 G 4.7329 9.0742 107.1190 43.4742 0.0000 171.4587 33 L 4.9578 8.4628 119.4442 54.0616 42.7869 176.4680 34 L 4.5882 8.3370 125.3505 53.7156 43.5125 175.7903 35 G 4.1573 8.1665 113.8095 45.4705 0.0000 172.0964 36 H 4.3950 9.1254 115.7415 58.1944 29.3716 176.4655 37 S 4.8718 7.6503 116.7362 58.5164 62.9028 175.6976 38 D 4.1909 8.8875 125.8019 54.6392 39.6286 176.0397 39 A 3.4987 7.2664 121.7769 53.0676 16.7397 178.7638 40 D 4.8660 8.0508 121.5938 54.2812 40.0486 175.3157 41 V 4.4493 7.9668 127.8504 63.8555 31.4851 177.9840 42 L 3.8602 7.7983 120.3243 57.9767 42.0268 178.8558 43 L 4.0109 7.9874 118.6050 57.8714 41.4348 179.2133 44 H 4.2557 8.3049 116.1140 58.8299 28.7025 177.5100 45 A 4.0283 7.9537 122.4774 55.3848 18.2144 179.7960 46 I 3.6559 7.7188 118.1219 64.7024 37.1838 178.6583 47 T 3.6923 8.1477 116.8742 66.8852 68.2570 176.2643 48 D 4.5460 8.5902 120.7528 57.4161 40.7848 178.7346 49 A 4.1606 8.0643 122.5430 54.5899 18.4767 179.7818 50 L 3.8386 7.9966 117.4381 57.8629 41.7423 179.5803 51 F 4.5357 8.0868 117.8949 60.6002 38.9322 178.0239 52 G 3.5915 8.5423 105.3102 47.7810 0.0000 175.6208 53 A 4.2296 8.2456 123.5284 53.8838 18.4972 178.7027 54 A 2.9624 7.5186 115.5275 50.6943 19.5689 176.7383 55 A 3.6584 7.4770 119.0028 53.6498 16.4875 177.9935 56 L 4.6260 8.7682 117.5545 55.2533 43.4567 177.4895 57 G 3.9748 8.8481 105.1112 44.0627 0.0000 173.6755 58 D 4.8862 8.0680 124.7212 51.3714 42.3853 175.8920 59 I 3.7353 8.5295 112.3186 63.8588 37.4238 177.6556 60 G 3.6054 7.7864 109.0386 47.0095 0.0000 173.5814 61 R 4.0260 7.3489 122.5789 57.0180 31.0262 177.0458 *62 H 4.2970 6.9721 118.2705 52.4938 27.6021 174.9775 *74 D 4.5583 7.7516 120.6754 54.0040 42.5275 175.0547 75 S 4.3262 8.9877 124.3979 61.0281 62.8877 176.9577 76 R 3.8828 8.0198 120.8011 59.1203 29.8752 178.6043 77 A 4.0146 9.0054 120.9338 55.1143 18.2874 179.6733 78 L 3.9878 7.8097 117.2677 57.8445 41.6156 179.5504 79 L 3.8942 8.2390 120.5500 58.1052 42.0245 179.2314 80 R 3.8835 8.1447 118.1540 59.1759 29.9100 178.6496 81 E 3.9489 8.3688 119.1923 59.2367 29.5814 178.2231 82 C 3.8217 8.3840 118.8964 62.5664 31.4535 175.4944 83 A 3.9373 8.0517 122.2516 55.0613 17.8921 179.5742 84 S 4.0219 8.1048 111.6156 61.7168 62.6576 176.6352 85 R 4.0157 8.2901 121.0071 59.1976 29.8990 179.2408 86 V 3.6481 8.2764 118.2622 65.9408 31.5534 177.9427 87 A 4.4684 8.5437 122.2865 54.8109 18.0658 179.6241 88 Q 4.0694 8.1613 114.5116 58.8623 28.9346 177.6559 89 A 4.3508 7.8544 120.5407 52.8242 18.6583 177.7805 90 G 3.7470 8.3841 106.4097 45.1394 0.0000 172.7576 91 F 5.3464 8.2514 116.9862 55.1996 42.2208 174.3350 92 A 4.9090 9.0659 124.2266 50.1867 21.6276 175.8073 93 I 4.2353 8.3917 122.6648 61.4903 37.6142 175.8003 94 R 4.5976 9.0698 126.3255 57.8056 31.5681 176.2358 95 N 4.9630 7.6299 113.1661 52.0719 40.6502 173.4186 96 V 4.9162 8.8000 119.8365 61.2461 34.9091 173.8004 97 D 5.5237 9.2170 126.7084 51.9235 44.7399 174.3578 98 S 5.0665 8.1560 115.5863 57.9089 66.6529 173.0557 99 T 4.9277 9.0212 117.0615 62.0343 72.5806 172.9636 100 I 4.6470 9.0286 127.3363 59.8825 39.6786 174.8334 101 I 4.8079 8.8763 128.7605 59.7578 37.9598 174.3994 102 A 4.7944 8.7821 129.0474 49.9886 21.6788 176.7075 103 Q 3.8694 9.0181 123.7606 58.7902 29.5708 175.9391 104 A 4.5020 7.2933 117.1894 50.2049 21.8964 173.7421 105 P 4.5442 0.0000 0.0000 61.0496 33.0290 175.9267 106 K 4.0202 8.4178 117.9685 56.9380 32.2025 177.1859 107 L 4.4787 8.4227 122.2779 55.2630 43.2935 178.2608 108 A 3.9688 8.2237 120.8313 55.0406 17.8894 177.6321 109 P 4.2687 0.0000 0.0000 64.7501 31.7530 177.3164 110 H 4.8093 8.0363 113.8976 55.5161 29.2448 176.4175 111 I 3.7004 7.5226 123.5575 64.4378 36.9503 177.7049 112 D 4.3412 8.1553 118.9748 57.4813 40.6812 178.7448 113 A 3.9980 7.9327 120.5048 55.3303 18.3925 179.3214 114 M 4.2422 7.8691 118.4255 58.1162 32.0332 179.2055 115 R 3.8777 8.2562 118.0466 59.1605 30.2305 178.9632 116 A 3.9840 8.1127 120.4726 55.1817 18.3309 179.3399 117 N 4.2519 8.5395 115.2842 56.6091 38.7067 177.6777 118 I 3.6477 7.9526 120.9057 64.4335 37.1614 178.4187 119 A 3.9985 8.4352 121.7557 54.9470 18.2810 179.6027 120 A 3.9023 8.1639 119.2929 55.5933 18.3301 179.7214 121 D 4.3712 8.1730 116.0171 56.6206 40.9353 177.9751 122 L 4.3996 7.8215 116.6841 53.1208 43.0721 175.5003 123 D 4.3502 7.6337 117.5813 55.6156 40.0637 172.8738 124 L 4.8537 7.8141 116.8541 51.8734 45.1653 175.5952 125 P 4.3441 0.0000 0.0000 62.6697 32.1782 177.4813 126 L 3.9678 8.5824 123.4702 58.2009 42.1878 178.0835 127 D 4.6166 8.0699 114.7378 54.0819 39.4004 176.3726 128 R 4.5727 8.0894 118.0953 56.1358 31.8045 175.2643 129 V 4.7887 7.7253 119.7669 60.9753 33.3718 174.3505 130 N 5.0801 9.1854 125.6271 51.8198 42.5257 172.9104 131 V 4.8168 8.3716 124.3764 59.9919 34.4897 174.5038 132 K 4.8516 8.9810 125.8294 54.5227 35.8381 174.7863 133 A 5.2167 8.4106 122.5148 50.3515 22.0240 175.6982 134 K 4.7393 9.1240 120.0474 55.0050 37.0721 176.3691 135 T 4.8096 8.4013 113.4932 59.9919 71.0271 173.6560 136 N 4.7219 8.6487 116.6453 52.7681 38.9816 174.1933 137 E 3.6598 8.4639 113.6819 57.1710 27.5206 175.3952 138 K 4.2021 8.1340 112.8378 56.6571 30.7038 175.6696 139 L 4.4122 7.7079 120.0294 54.1037 43.2985 178.3559 140 G 4.1416 8.4992 112.4362 45.2440 0.0000 173.1132 141 Y 4.3397 8.1010 115.8450 60.0994 37.9537 178.1646 142 L 4.2325 7.1177 120.4940 57.7178 41.7363 179.5731 143 G 3.6462 8.1412 105.4216 47.2713 0.0000 175.0759 144 R 4.4031 7.9255 117.9954 56.1339 30.3632 177.2433 145 G 3.9728 7.7759 106.8567 46.0589 0.0000 174.5487 146 E 4.2650 8.7116 120.7515 57.6906 29.9189 176.0208 147 G 4.6648 7.5522 103.7520 45.6024 0.0000 172.4522 148 I 4.9489 8.6050 119.7535 59.4248 41.1715 174.6850 149 E 5.0424 8.8984 126.8095 54.4069 32.6820 174.3216 150 A 5.2388 8.6188 125.4752 50.2526 22.7767 175.0198 151 Q 5.2132 9.1539 119.5372 54.2428 32.6602 174.6441 152 A 5.2260 8.9017 122.4128 50.5238 23.3406 174.9312 153 A 5.2408 9.4521 121.0381 50.1342 22.9533 175.1798 154 A 4.9981 9.0854 122.3071 50.1083 23.0295 174.6099 155 L 5.0208 8.8176 124.4943 53.5226 44.4192 175.8601 156 V 5.1472 8.8751 119.0511 59.5194 36.1780 174.7459 157 V 4.8115 8.8445 120.5451 60.1083 34.6526 174.5983 158 R 4.0568 8.8827 128.4683 56.0139 30.2791 176.7949 159 E 4.0631 8.3107 122.3296 56.2293 29.6231 173.2308 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 M 8.30 4.31 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 2 D 7.35 4.53 0.00 2.82 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 3 F 8.89 4.99 0.00 3.03 2.98 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 4 R 9.24 4.97 0.00 1.74 1.83 0.00 3.34 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.97 0.00 5 I 8.49 5.01 1.88 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 1.30 1.25 0.93 0.00 0.00 6 G 9.08 4.44 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 0.00 7 Q 8.63 5.22 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 8 G 9.30 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 0.00 0.00 0.00 0.00 9 Y 8.49 5.47 0.00 2.93 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 10 D 8.07 4.66 0.00 2.79 2.46 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 11 V 7.73 4.92 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 0.74 0.00 0.00 1.07 0.00 0.00 12 H 8.87 5.00 0.00 3.06 3.27 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.74 4.52 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 14 L 8.55 5.07 0.00 1.68 1.78 1.03 1.25 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 15 V 8.85 4.69 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 0.68 0.00 0.00 0.95 0.00 0.00 16 P 0.00 4.49 0.00 1.92 1.96 0.00 3.68 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 2.01 2.06 0.00 17 G 9.47 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 18 R 7.40 4.71 0.00 1.80 1.77 0.00 3.29 0.00 0.00 3.39 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 19 P 0.00 4.64 0.00 2.07 2.05 0.00 3.76 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 1.98 1.96 0.00 20 L 8.51 4.39 0.00 2.11 1.84 0.89 0.83 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 21 I 8.28 5.06 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.97 0.88 0.00 0.00 22 I 8.34 4.64 1.82 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 1.18 0.94 0.87 0.00 0.00 23 G 9.81 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 24 G 8.89 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 25 V 7.42 4.12 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 0.97 0.00 0.00 1.01 0.00 0.00 26 T 8.47 4.59 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 1.21 0.00 0.00 27 I 8.52 4.36 1.78 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.53 0.79 0.00 0.00 28 P 0.00 4.45 0.00 2.13 2.11 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 29 Y 8.28 4.77 0.00 2.93 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 30 E 7.95 3.61 0.00 1.48 1.79 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 2.10 2.22 0.00 31 R 7.04 4.90 0.00 1.66 1.96 0.00 3.02 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.46 0.00 32 G 9.07 4.73 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 0.00 0.00 0.00 33 L 8.46 4.96 0.00 1.58 1.59 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.34 4.59 0.00 1.64 1.69 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.17 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 0.00 0.00 0.00 36 H 9.13 4.40 0.00 3.14 3.39 0.00 5.68 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.65 4.87 0.00 3.90 3.60 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 38 D 8.89 4.19 0.00 2.74 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 39 A 7.27 3.50 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.05 4.87 0.00 2.78 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.97 4.45 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 0.55 0.00 0.00 0.93 0.00 0.00 42 L 7.80 3.86 0.00 1.74 1.87 0.90 0.64 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 43 L 7.99 4.01 0.00 1.69 1.67 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.30 4.26 0.00 3.45 3.35 0.00 5.65 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 45 A 7.95 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 46 I 7.72 3.66 1.84 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 1.51 0.85 0.87 0.00 0.00 47 T 8.15 3.69 4.44 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 1.16 0.00 0.00 48 D 8.59 4.55 0.00 2.87 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 49 A 8.06 4.16 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 50 L 8.00 3.84 0.00 1.58 1.50 0.80 0.88 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 51 F 8.09 4.54 0.00 3.22 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 52 G 8.54 3.59 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 0.00 0.00 0.00 53 A 8.25 4.23 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 54 A 7.52 2.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.48 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 56 L 8.77 4.63 0.00 1.74 1.68 1.11 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.85 3.97 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 0.00 0.00 0.00 58 D 8.07 4.89 0.00 3.04 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 59 I 8.53 3.74 1.98 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 1.23 0.47 1.16 0.00 0.00 60 G 7.79 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 61 R 7.35 4.03 0.00 1.90 1.71 0.00 3.18 0.00 0.00 3.19 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 *62 H 6.97 4.30 0.00 2.95 2.84 0.00 7.29 0.00 0.00 0.00 0.00 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *74 D 7.75 4.56 0.00 2.73 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 75 S 8.99 4.33 0.00 3.87 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.02 3.88 0.00 2.03 2.04 0.00 3.12 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 1.70 1.68 0.00 77 A 9.01 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 78 L 7.81 3.99 0.00 1.89 1.80 0.98 0.97 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 79 L 8.24 3.89 0.00 1.84 1.82 0.84 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.14 3.88 0.00 2.06 1.96 0.00 3.18 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.81 0.00 81 E 8.37 3.95 0.00 2.19 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 0.00 2.36 2.45 0.00 82 C 8.38 3.82 0.00 2.67 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.05 3.94 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 84 S 8.10 4.02 0.00 3.93 4.08 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 85 R 8.29 4.02 0.00 2.21 2.16 0.00 3.43 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 86 V 8.28 3.65 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 1.04 0.00 0.00 0.85 0.00 0.00 87 A 8.54 4.47 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 0.00 0.00 88 Q 8.16 4.07 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.63 2.43 0.00 89 A 7.85 4.35 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 G 8.38 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 91 F 8.25 5.35 0.00 3.14 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 9.07 4.91 1.21 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 0.00 0.00 93 I 8.39 4.24 1.88 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 1.34 0.60 0.91 0.00 0.00 94 R 9.07 4.60 0.00 1.92 2.08 0.00 3.49 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.04 0.00 95 N 7.63 4.96 0.00 2.86 2.87 0.00 0.00 5.60 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 96 V 8.80 4.92 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 0.92 0.00 0.00 0.91 0.00 0.00 97 D 9.22 5.52 0.00 2.79 2.44 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 98 S 8.16 5.07 0.00 3.98 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 9.02 4.93 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 1.21 0.00 0.00 100 I 9.03 4.65 1.84 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 1.20 0.76 0.91 0.00 0.00 101 I 8.88 4.81 1.85 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 1.15 1.07 0.91 0.00 0.00 102 A 8.78 4.79 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 0.00 103 Q 9.02 3.87 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 104 A 7.29 4.50 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 0.00 105 P 0.00 4.54 0.00 2.13 2.01 0.00 3.26 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.58 0.00 106 K 8.42 4.02 0.00 1.77 1.80 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.41 7.81 107 L 8.42 4.48 0.00 1.67 1.67 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.22 3.97 1.31 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 0.00 0.00 109 P 0.00 4.27 0.00 1.78 2.02 0.00 3.70 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 1.98 2.13 0.00 110 H 8.04 4.81 0.00 3.30 3.29 0.00 5.82 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.52 3.70 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.93 0.90 0.00 0.00 112 D 8.16 4.34 0.00 2.67 2.72 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 0.00 113 A 7.93 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 M 7.87 4.24 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.60 0.00 115 R 8.26 3.88 0.00 2.00 1.97 0.00 3.12 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 116 A 8.11 3.98 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 0.00 117 N 8.54 4.25 0.00 2.93 2.87 0.00 0.00 7.08 7.13 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 0.00 118 I 7.95 3.65 1.86 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 1.43 0.98 0.89 0.00 0.00 119 A 8.44 4.00 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 0.00 120 A 8.16 3.90 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 0.00 121 D 8.17 4.37 0.00 2.77 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 0.00 122 L 7.82 4.40 0.00 1.60 1.67 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.63 4.35 0.00 2.77 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 0.00 124 L 7.81 4.85 0.00 1.63 1.53 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.34 0.00 2.28 1.99 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 126 L 8.58 3.97 0.00 1.72 1.66 0.92 1.16 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 0.00 127 D 8.07 4.62 0.00 2.81 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 0.00 128 R 8.09 4.57 0.00 1.94 2.09 0.00 3.08 0.00 0.00 3.35 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 129 V 7.73 4.79 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 0.73 0.00 0.00 0.93 0.00 0.00 130 N 9.19 5.08 0.00 2.82 2.76 0.00 0.00 6.23 7.23 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 0.00 131 V 8.37 4.82 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 1.21 0.00 0.00 0.92 0.00 0.00 132 K 8.98 4.85 0.00 1.78 1.64 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.49 7.81 133 A 8.41 5.22 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 0.00 134 K 9.12 4.74 0.00 1.59 1.62 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.51 7.81 135 T 8.40 4.81 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 136 N 8.65 4.72 0.00 2.74 2.76 0.00 0.00 6.94 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 0.00 137 E 8.46 3.66 0.00 2.06 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 2.24 2.39 0.00 138 K 8.13 4.20 0.00 1.93 1.92 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.50 7.81 139 L 7.71 4.41 0.00 1.85 1.52 0.90 0.86 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 0.00 140 G 8.50 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 0.00 141 Y 8.10 4.34 0.00 3.30 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 0.00 142 L 7.12 4.23 0.00 1.51 1.67 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.14 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 0.00 0.00 0.00 144 R 7.93 4.40 0.00 1.87 2.03 0.00 3.23 0.00 0.00 3.26 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 145 G 7.78 3.97 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 0.00 0.00 0.00 146 E 8.71 4.26 0.00 2.34 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 2.36 2.32 0.00 147 G 7.55 4.66 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 0.00 148 I 8.61 4.95 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.03 0.94 0.00 0.00 149 E 8.90 5.04 0.00 2.08 1.76 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 2.09 2.04 0.00 150 A 8.62 5.24 1.18 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 0.00 151 Q 9.15 5.21 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 152 A 8.90 5.23 1.23 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 0.00 0.00 153 A 9.45 5.24 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 0.00 154 A 9.09 5.00 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 0.00 155 L 8.82 5.02 0.00 1.80 1.73 1.07 0.64 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 0.00 156 V 8.88 5.15 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 0.71 0.00 0.00 0.95 0.00 0.00 157 V 8.84 4.81 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 0.76 0.00 0.00 0.21 0.00 0.00 158 R 8.88 4.06 0.00 1.59 1.76 0.00 2.93 0.00 0.00 3.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.50 0.00 159 E 8.31 4.06 0.00 2.05 1.71 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 0.00 2.26 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.