NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7909 8.1476 118.3416 55.4314 33.7176 173.3842 2 I 4.8051 8.6740 111.8520 58.8953 41.7294 172.4390 3 I 5.0288 8.6956 123.7233 59.5491 40.5433 176.0439 4 V 4.8906 8.9895 126.7279 61.2328 34.3018 173.3317 5 Y 5.3915 9.3480 129.2546 56.2535 41.2145 174.2261 6 T 5.3978 8.3787 119.7013 60.4047 71.6309 172.1055 7 T 4.9924 7.9684 113.8853 59.8262 71.9249 172.9176 8 F 4.6523 8.9291 121.1546 54.8751 42.7390 174.5633 9 P 4.2800 0.0000 0.0000 64.9813 31.7718 175.9312 10 D 4.4362 7.2284 117.6606 51.2650 42.8921 176.1862 11 W 3.9757 8.4931 119.3949 59.5375 28.9595 178.3335 12 E 3.9391 8.2670 119.1540 59.4162 29.1300 178.9606 13 S 3.9945 8.4849 114.1037 61.1525 62.9482 176.1108 14 A 2.0000 7.2702 123.9021 54.1999 17.9567 179.3557 15 E 3.8091 8.0732 117.0183 59.3673 29.5768 179.3527 16 K 3.7888 7.9605 119.4975 59.6286 32.2392 178.8318 17 V 3.5378 7.7010 118.2159 66.0363 31.5160 178.1142 18 V 3.6085 7.7642 118.0779 66.0744 31.2899 178.1769 19 K 4.0461 8.3011 118.3822 59.6486 31.8520 179.5539 20 T 3.8914 7.8869 116.1149 66.6013 68.2936 176.7489 21 L 4.0483 8.1193 120.9650 57.6660 41.5354 179.6682 22 L 3.9903 7.9226 118.9882 57.7529 41.3972 179.5313 23 K 3.9578 8.1643 117.5882 59.4621 32.1306 178.4592 24 E 4.1939 8.1145 115.4533 55.7193 30.1730 176.5587 25 R 3.8312 8.1529 118.3858 57.2889 28.2090 177.5170 26 L 4.3609 8.2389 116.9889 55.4534 42.5281 177.1605 27 I 4.6610 7.5167 109.5188 59.1537 40.2934 174.3416 28 A 4.2922 8.4676 121.9799 52.4805 19.8003 177.0707 *30 A 4.4456 7.8108 116.2220 51.7518 20.2598 175.9294 31 N 5.0690 9.3906 118.2418 51.5462 41.8039 173.5393 32 L 5.5170 8.7345 123.6673 53.0931 44.7803 176.1015 33 R 4.9950 8.6050 117.5502 55.1091 33.0675 174.4079 34 E 4.7259 9.0066 120.4029 57.0516 30.7564 175.3166 35 H 4.8586 8.6149 115.2318 55.1518 32.4859 172.5553 36 R 4.9252 8.7609 118.3786 54.7313 31.5560 175.6398 37 A 4.8974 8.9658 126.7894 50.6320 21.3184 175.6845 38 F 5.0956 8.5373 119.2287 55.8667 42.4938 173.8729 39 Y 4.7387 7.6098 119.1144 56.1857 41.6815 172.8745 40 W 4.8657 9.2997 120.3655 56.2871 30.1596 176.4230 41 W 4.9788 9.5140 134.4452 56.9360 32.7778 174.5980 42 E 3.2899 9.3500 127.4408 57.4649 26.1033 175.3874 43 G 4.1584 9.2835 107.1416 45.0178 0.0000 173.5067 44 K 4.9952 7.7955 115.9867 54.7227 35.8257 175.4246 45 I 3.8208 7.6636 121.0238 61.4278 37.6823 175.2832 46 E 4.6816 9.1020 125.5759 54.3130 33.7578 174.3213 47 E 4.4134 8.1508 120.9862 54.4232 32.5974 174.2547 48 D 4.5995 8.3304 124.5678 52.7066 45.3778 173.7241 49 K 4.6367 8.5141 126.3669 56.2363 33.3234 175.3768 50 E 4.8039 9.0410 125.7864 54.5387 34.6474 174.3266 51 V 3.9551 8.4386 119.8361 61.1581 33.8756 174.9587 52 G 4.3246 8.9911 116.2465 45.5660 0.0000 171.7029 53 A 5.3790 8.9014 124.1047 49.9645 22.6220 174.9707 54 I 4.7847 9.1958 124.1867 59.9068 39.1603 174.8161 55 L 5.1378 9.2969 127.9277 52.9587 44.6365 175.8500 56 K 5.1242 8.5533 120.8544 55.1985 35.3163 175.2605 57 T 4.8796 8.4556 118.2091 61.2175 71.4687 172.7377 58 R 4.2353 8.5574 120.8653 55.5633 30.9463 177.8580 59 E 4.0885 8.7855 119.6690 59.5911 29.4058 179.0231 60 D 4.5216 8.1107 118.4865 55.4664 39.9439 177.3098 61 L 4.4056 7.7206 119.1562 54.4684 41.9370 177.8421 62 W 4.5987 8.0015 130.0253 60.8580 30.5799 177.1158 63 E 3.3456 8.1739 118.1773 59.2419 29.1089 178.3535 64 E 3.8260 7.9811 118.6357 59.1240 29.6903 178.3205 65 L 3.9176 8.3429 120.8156 57.8272 42.1372 178.7897 66 K 3.5114 7.9410 119.8624 59.5056 31.8723 178.6652 67 E 3.8728 7.8412 118.7848 59.1916 29.2800 179.4077 68 R 4.0232 7.8697 118.8083 59.5227 30.1711 178.6546 69 I 3.7512 7.9615 119.8734 64.3760 36.8596 178.5352 70 K 4.0337 7.7858 118.3531 59.4419 31.8683 178.9617 71 E 4.1268 7.7750 118.2830 59.1019 29.6065 178.6426 72 L 4.2996 7.7324 116.8884 55.2825 42.4697 176.9865 73 H 4.2657 8.0977 119.8421 55.2124 30.3535 173.5505 74 P 4.4025 0.0000 0.0000 65.7413 31.5548 176.7684 75 Y 4.6114 7.8306 115.4180 57.4726 38.6358 175.1096 76 D 4.4783 9.0517 123.4069 57.0484 41.4811 177.2565 77 V 4.2441 7.3487 120.5632 59.9406 31.4236 172.8669 78 P 4.3229 0.0000 0.0000 61.6167 32.7015 176.0819 79 A 4.4227 8.1340 120.6671 51.0051 20.3098 176.2608 80 I 4.4522 8.4925 123.8318 59.6290 38.7989 173.8228 81 I 4.4761 8.9934 127.7731 59.4301 39.3078 174.3717 82 R 4.5910 8.3503 127.4885 54.5042 31.6545 175.1052 83 I 4.4359 8.4653 127.0029 59.2101 40.2439 174.8518 84 D 4.6310 8.7110 127.3493 54.4239 41.6686 176.3435 85 V 4.0062 8.0403 122.8915 61.6995 31.5063 175.5548 86 D 4.4761 8.8789 128.9997 57.4493 40.9967 176.1256 87 D 4.5858 7.5650 114.3466 53.8602 43.8546 174.2561 88 V 4.4204 7.8193 120.6749 59.0881 34.0442 173.4792 89 N 4.4763 8.5377 119.7687 53.0414 38.6623 175.6603 90 E 4.0483 9.0066 124.1163 59.8320 29.5427 179.3769 91 D 4.4063 8.1601 118.4886 56.5699 39.4371 177.9122 92 Y 4.0514 8.0541 120.5826 60.2543 38.8896 177.0777 93 L 4.0752 8.1307 121.1048 58.0380 42.2310 178.7032 94 K 3.8613 8.3383 119.7152 59.3431 32.1254 178.4093 95 W 4.1959 7.9317 128.5444 60.5080 30.4206 177.5998 96 L 3.0760 7.8030 118.8824 57.9946 41.1703 178.7341 97 I 3.8233 7.8690 119.9028 64.1905 36.8394 178.2257 98 E 3.9596 7.8584 118.6823 58.8919 29.3618 178.3807 99 E 4.0527 7.5359 116.5538 56.3422 29.9453 176.3472 100 T 4.6712 6.3964 108.7101 59.4091 71.0151 174.8819 101 K 4.0757 8.5202 122.1905 57.1754 33.3807 177.1230 102 K 4.2252 8.4134 119.7963 56.7662 31.8437 176.8219 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 8.15 4.79 0.00 2.20 2.49 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.63 0.00 2 I 8.67 4.81 1.77 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.88 0.88 0.00 0.00 3 I 8.70 5.03 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.11 0.97 0.00 0.00 4 V 8.99 4.89 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 1.10 0.00 0.00 1.19 0.00 0.00 5 Y 9.35 5.39 0.00 2.96 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 6 T 8.38 5.40 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 1.04 0.00 0.00 7 T 7.97 4.99 4.35 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 1.04 0.00 0.00 8 F 8.93 4.65 0.00 2.70 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 9 P 0.00 4.28 0.00 2.11 2.08 0.00 3.52 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.59 0.00 10 D 7.23 4.44 0.00 2.93 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 11 W 8.49 3.98 0.00 3.40 3.44 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 12 E 8.27 3.94 0.00 2.10 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 2.37 2.41 0.00 13 S 8.48 3.99 0.00 4.03 4.05 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 0.00 0.00 0.00 14 A 7.27 2.00 0.75 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 15 E 8.07 3.81 0.00 2.21 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 2.41 2.57 0.00 16 K 7.96 3.79 0.00 1.89 1.88 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 17 V 7.70 3.54 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 1.08 0.00 0.00 1.07 0.00 0.00 18 V 7.76 3.61 2.10 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 1.00 0.00 0.00 0.92 0.00 0.00 19 K 8.30 4.05 0.00 1.87 1.84 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.58 7.81 20 T 7.89 3.89 4.42 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 1.21 0.00 0.00 21 L 8.12 4.05 0.00 1.90 1.75 1.00 0.53 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 22 L 7.92 3.99 0.00 1.89 1.73 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.16 3.96 0.00 1.84 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.72 7.81 24 E 8.11 4.19 0.00 1.95 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 2.50 0.00 25 R 8.15 3.83 0.00 1.94 1.90 0.00 3.07 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 26 L 8.24 4.36 0.00 1.62 1.73 0.95 0.57 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 27 I 7.52 4.66 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.26 0.98 0.00 0.00 28 A 8.47 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *30 A 7.81 4.45 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 31 N 9.39 5.07 0.00 2.68 2.80 0.00 0.00 6.74 6.34 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 32 L 8.73 5.52 0.00 1.71 1.50 1.00 0.87 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 33 R 8.61 5.00 0.00 1.97 2.11 0.00 3.05 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 34 E 9.01 4.73 0.00 2.00 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 2.81 0.00 35 H 8.61 4.86 0.00 3.24 3.44 0.00 5.24 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.76 4.93 0.00 1.90 1.85 0.00 3.32 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 37 A 8.97 4.90 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 38 F 8.54 5.10 0.00 2.84 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 39 Y 7.61 4.74 0.00 3.22 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 40 W 9.30 4.87 0.00 3.31 3.27 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 0.00 41 W 9.51 4.98 0.00 3.69 2.99 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 42 E 9.35 3.29 0.00 2.09 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 1.57 1.47 0.00 43 G 9.28 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 44 K 7.80 5.00 0.00 1.96 1.97 0.00 1.48 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.53 7.81 45 I 7.66 3.82 1.40 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 -0.36 0.66 0.00 0.00 46 E 9.10 4.68 0.00 1.39 1.48 0.00 0.00 0.00 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 2.47 0.00 47 E 8.15 4.41 0.00 1.53 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 1.56 1.47 0.00 48 D 8.33 4.60 0.00 2.64 2.37 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 49 K 8.51 4.64 0.00 1.78 1.67 0.00 2.04 0.00 0.00 1.73 0.00 0.00 2.72 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.46 7.81 50 E 9.04 4.80 0.00 1.65 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 2.30 2.28 0.00 51 V 8.44 3.96 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 0.04 0.00 0.00 -0.33 0.00 0.00 52 G 8.99 4.32 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 0.00 53 A 8.90 5.38 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 54 I 9.20 4.78 2.00 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 1.48 0.94 1.02 0.00 0.00 55 L 9.30 5.14 0.00 1.66 1.66 1.05 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.55 5.12 0.00 1.89 1.90 0.00 1.99 0.00 0.00 1.98 0.00 0.00 2.88 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.55 1.54 7.81 57 T 8.46 4.88 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 1.33 0.00 0.00 58 R 8.56 4.24 0.00 1.96 1.96 0.00 3.17 0.00 0.00 3.35 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 59 E 8.79 4.09 0.00 2.26 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 0.00 2.38 2.46 0.00 60 D 8.11 4.52 0.00 2.88 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 61 L 7.72 4.41 0.00 1.86 1.77 0.92 1.12 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 62 W 8.00 4.60 0.00 3.34 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 63 E 8.17 3.35 0.00 2.08 1.85 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 2.33 2.31 0.00 64 E 7.98 3.83 0.00 2.03 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 2.34 2.32 0.00 65 L 8.34 3.92 0.00 1.81 1.91 0.96 0.96 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 66 K 7.94 3.51 0.00 0.79 1.18 0.00 1.54 0.00 0.00 1.09 0.00 0.00 2.53 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.12 1.07 7.81 67 E 7.84 3.87 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 2.35 2.37 0.00 68 R 7.87 4.02 0.00 2.05 2.04 0.00 3.27 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 69 I 7.96 3.75 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.62 0.94 0.00 0.00 70 K 7.79 4.03 0.00 1.86 1.85 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.67 7.81 71 E 7.78 4.13 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.59 0.00 72 L 7.73 4.30 0.00 1.66 1.74 0.93 1.15 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 73 H 8.10 4.27 0.00 3.32 3.17 0.00 5.76 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.40 0.00 2.08 2.11 0.00 3.36 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 1.61 1.91 0.00 75 Y 7.83 4.61 0.00 2.83 2.68 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 0.00 0.00 0.00 0.00 76 D 9.05 4.48 0.00 2.72 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.35 4.24 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 0.90 0.00 0.00 0.94 0.00 0.00 78 P 0.00 4.32 0.00 1.79 1.44 0.00 3.76 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.83 0.00 79 A 8.13 4.42 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 80 I 8.49 4.45 1.99 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 1.33 0.70 1.07 0.00 0.00 81 I 8.99 4.48 2.16 0.00 0.00 1.00 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 0.96 0.94 0.00 0.00 82 R 8.35 4.59 0.00 0.67 0.70 0.00 2.21 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.02 0.00 83 I 8.47 4.44 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.61 0.86 0.00 0.00 84 D 8.71 4.63 0.00 2.50 2.56 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 85 V 8.04 4.01 2.26 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 0.78 0.00 0.00 0.95 0.00 0.00 86 D 8.88 4.48 0.00 2.69 2.71 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 0.00 0.00 0.00 87 D 7.57 4.59 0.00 2.58 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.82 4.42 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 0.82 0.00 0.00 0.96 0.00 0.00 89 N 8.54 4.48 0.00 3.16 3.02 0.00 0.00 5.99 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.01 4.05 0.00 2.07 2.10 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 2.44 2.42 0.00 91 D 8.16 4.41 0.00 2.92 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 92 Y 8.05 4.05 0.00 3.08 3.22 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 93 L 8.13 4.08 0.00 1.98 1.92 1.00 0.52 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 94 K 8.34 3.86 0.00 1.97 2.04 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.48 7.81 95 W 7.93 4.20 0.00 3.31 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 96 L 7.80 3.08 0.00 1.56 1.82 1.13 0.94 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 97 I 7.87 3.82 1.96 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 1.50 1.04 0.87 0.00 0.00 98 E 7.86 3.96 0.00 1.91 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 2.30 2.56 0.00 99 E 7.54 4.05 0.00 1.16 1.58 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 0.00 1.47 1.65 0.00 100 T 6.40 4.67 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 101 K 8.52 4.08 0.00 1.74 1.91 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.41 7.81 102 K 8.41 4.23 0.00 1.64 1.74 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.