NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.7732 8.4201 118.1254 53.1250 40.9599 173.7374 0 A 4.5186 8.0557 131.8287 50.9816 17.3113 179.1205 2 S 4.4118 8.6816 120.2131 59.7139 66.3552 171.6029 3 V 4.6732 8.2132 124.9991 60.9981 35.1034 173.9756 4 V 4.8297 8.8709 127.3444 61.0833 34.4310 173.9532 5 I 5.0638 8.6240 127.2779 59.3919 40.9348 173.7769 6 Y 4.8351 9.5538 128.5362 57.9369 38.4555 174.0156 7 H 5.2376 9.7394 125.0580 54.2328 33.7369 172.0199 8 N 4.9191 8.9787 123.8547 51.0878 39.3723 173.3172 9 P 4.2281 0.0000 0.0000 64.7070 31.5523 177.5962 10 K 4.2873 8.2767 116.3989 56.4438 32.3748 176.2034 11 C 4.7423 8.0096 121.0813 57.3640 33.4963 174.3484 12 S 4.1376 8.6679 123.5715 61.6066 62.5740 176.7387 13 K 3.9972 7.9824 121.6111 59.1077 31.8742 179.0940 14 S 4.1664 8.0677 112.9871 61.5629 62.4055 176.2899 15 R 4.0103 8.3860 121.0717 59.1844 29.7381 178.6671 16 E 3.9398 8.4411 119.2211 59.5196 29.1931 178.9789 17 T 3.8514 8.1292 115.8649 66.5355 68.5822 176.2069 18 L 3.9187 8.0892 121.9752 58.2538 42.1035 178.9307 19 A 3.9936 8.1596 120.6385 54.9101 18.0684 179.1741 20 L 3.8809 8.0678 118.3316 58.3652 42.4273 178.9199 21 L 4.1418 8.0379 118.7182 58.0381 41.5233 179.4653 22 E 4.8313 8.1451 119.6835 59.0785 29.1914 179.0157 23 N 4.4495 8.5118 115.3574 55.3474 38.6768 176.3973 24 Q 4.3668 7.7647 118.2001 55.6918 28.9843 176.4127 25 G 3.8880 8.1374 108.6030 45.7787 0.0000 173.3332 26 I 4.2437 7.5042 119.6158 59.3868 38.6590 174.9157 27 A 4.9309 8.1899 127.9920 49.5963 18.5960 174.2773 28 P 4.6645 0.0000 0.0000 63.0248 32.9829 176.3373 29 Q 4.1564 9.1814 121.5043 55.8726 29.7151 175.2091 30 V 4.4504 8.3538 124.8767 61.8153 32.8931 174.8805 31 I 4.1966 8.5970 129.5303 59.5215 39.1729 175.7966 32 K 4.7599 8.7461 128.4701 54.2606 30.6464 177.0147 33 Y 4.5623 8.1883 123.2803 59.3709 37.9397 178.5405 34 L 3.7268 6.8277 119.5316 57.0228 41.7233 178.3014 35 E 4.2651 7.9344 118.0873 58.6804 30.2803 178.2791 36 T 4.1500 7.8680 109.1461 61.5875 70.2366 172.7816 37 S 3.6103 8.0551 115.7539 57.1481 60.2428 168.5287 38 P 4.2821 0.0000 0.0000 62.6458 32.1229 176.5455 39 S 4.3256 8.5406 117.2286 57.6286 65.2444 175.3696 40 V 3.5830 8.3910 121.5947 66.4086 31.0690 177.8704 41 E 3.8469 8.0616 116.5602 59.2816 29.3961 178.5122 42 E 3.9090 7.9922 120.1332 59.0018 29.6685 178.6921 43 L 3.9873 8.2046 119.3553 57.8907 41.7327 179.7165 44 K 3.5536 7.7942 118.2688 59.3444 31.8553 179.6555 45 R 3.9463 7.9861 118.3786 59.1263 29.8793 179.0829 46 L 3.9358 8.1719 119.0490 57.8495 41.3353 178.8306 47 Y 4.2164 8.3881 119.7277 61.0206 38.5442 178.3187 48 Q 3.7891 7.9966 117.5911 59.0378 29.1165 178.5463 49 Q 4.1021 8.1225 118.8647 58.4964 28.5109 178.4984 50 L 4.2972 7.3983 121.1533 54.8953 41.5734 177.9498 51 G 3.7453 7.3221 105.5290 46.1094 0.0000 173.6971 52 L 4.3388 7.3367 118.2638 54.0015 42.5715 176.6679 53 N 4.7272 8.5642 116.9653 54.2584 39.6117 175.6410 54 E 4.8320 7.9047 116.9035 54.0426 33.2346 176.6731 55 V 3.0757 8.4061 122.4761 65.9037 31.6074 177.6125 56 R 3.9415 7.8319 116.9264 58.5897 30.6042 177.2385 57 A 4.2073 7.4537 122.1176 52.2911 16.1808 179.2953 *60 R 4.0330 7.3958 120.7054 55.7601 30.7315 176.7581 61 C 2.5822 7.8713 118.4735 60.7387 28.4759 174.7924 62 K 4.2344 7.5130 117.3216 56.4266 32.6168 177.3229 63 E 4.0860 7.9026 120.5042 56.3045 30.9955 177.5132 64 E 4.0054 8.8715 122.7557 59.7006 29.6210 179.5440 65 L 4.1819 7.8679 121.0512 57.5704 42.1504 178.1306 66 Y 3.9838 7.9753 119.1659 60.6865 38.7513 178.2589 67 K 4.0787 8.1298 118.8324 59.5884 32.1649 179.2156 68 E 3.9872 8.5412 119.2263 59.2556 29.1882 178.6366 69 L 4.2677 7.8675 115.9333 54.0589 42.4948 176.0729 70 N 4.1155 8.1518 117.4441 54.5162 37.8112 175.2034 71 L 3.9346 7.2765 115.6421 55.8027 41.8737 178.7226 72 G 3.8340 7.6239 106.8166 46.5430 0.0000 173.5742 73 D 4.3946 7.9087 121.9318 53.8986 41.5087 177.2173 74 S 4.2021 8.7365 121.7103 61.0903 63.0338 175.0820 75 Q 4.1832 8.2131 116.8231 56.8354 28.8168 175.7417 76 L 4.2616 7.4734 120.1108 53.9889 42.5033 177.0717 77 S 4.4281 8.3507 117.5465 57.7347 64.1657 174.7877 78 D 4.2030 8.6769 120.9452 57.7410 40.3783 178.8379 79 D 4.5471 8.2270 118.6405 57.2947 40.8314 178.5193 80 A 3.9792 8.0511 121.3642 55.0881 18.1399 179.7504 81 L 3.8168 7.3358 116.5919 57.9107 41.7554 179.3397 82 F 4.3601 7.9713 116.6709 60.5238 39.1349 177.2013 83 A 4.2356 8.4348 120.3375 54.9930 18.0284 179.9103 84 A 3.8170 7.8945 115.1534 53.2236 17.9162 179.0007 *86 A 4.4990 7.8403 124.2768 53.6081 20.5523 178.7865 87 E 4.0889 8.2539 115.7262 58.5451 30.0051 176.2204 88 H 4.8947 8.3924 116.9204 52.7783 29.3299 172.0340 89 P 4.5380 0.0000 0.0000 64.3407 31.7343 179.3648 90 K 4.1958 8.1009 117.7775 59.3645 32.5615 177.9167 91 L 4.2109 8.0851 119.0222 56.5418 41.7866 177.0858 92 I 4.0247 7.6868 120.9033 60.1837 37.6032 175.5272 93 E 4.0901 8.5806 126.8109 56.0895 30.1563 175.7362 94 R 4.6659 8.5633 121.2931 53.5691 33.0203 172.8340 95 P 4.7994 0.0000 0.0000 62.8544 33.4894 174.7015 96 I 4.9242 8.2702 120.8738 59.5678 39.8419 174.7974 97 V 4.8907 8.8935 127.5545 61.1347 33.8479 174.4267 98 V 4.8914 9.0220 127.6286 61.2731 34.7519 173.9204 99 C 4.6571 9.3711 128.1212 58.4888 35.0334 173.3254 100 N 3.9863 9.7374 126.3593 54.8227 36.7598 174.4070 101 G 4.2045 8.2285 102.1600 45.7196 0.0000 172.7134 102 Q 4.7786 8.0289 117.8290 53.7494 31.9282 174.1805 103 A 5.3198 8.6103 121.1252 50.5584 23.0069 175.3392 104 R 4.5869 8.8907 118.0474 54.7819 35.0281 174.4845 105 H 4.9504 8.7561 118.6747 54.7855 29.8452 176.0381 106 G 3.9116 8.1986 109.9429 45.7494 0.0000 175.9591 107 R 4.7011 7.3557 116.8265 53.6810 31.2655 173.6826 108 P 4.6911 0.0000 0.0000 60.7346 33.7451 176.1544 109 P 4.3278 0.0000 0.0000 65.1476 31.2332 178.5075 110 E 4.1386 8.1473 114.6831 58.5113 29.0679 178.3617 111 Q 4.0130 8.3314 121.3638 59.3102 29.0736 178.4520 112 V 3.7982 7.8814 112.9723 63.6047 31.6914 178.2434 113 L 4.0399 7.9072 119.0333 57.5333 41.1132 178.8160 114 E 4.0025 7.5017 117.4423 58.7613 29.4781 178.0775 115 I 4.3227 7.3748 108.4720 60.4114 38.1530 175.5613 116 L 4.2684 7.6747 126.4265 55.2313 41.5848 176.2088 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 N 8.42 4.77 0.00 2.73 2.82 0.00 0.00 6.92 6.46 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 A 8.06 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.68 4.41 0.00 3.82 3.77 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 3 V 8.21 4.67 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 0.88 0.00 0.00 0.94 0.00 0.00 4 V 8.87 4.83 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 0.73 0.00 0.00 0.93 0.00 0.00 5 I 8.62 5.06 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.72 0.95 0.00 0.00 6 Y 9.55 4.84 0.00 2.80 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 7 H 9.74 5.24 0.00 3.24 3.18 0.00 5.73 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.98 4.92 0.00 2.94 2.78 0.00 0.00 6.98 7.22 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 9 P 0.00 4.23 0.00 2.05 2.10 0.00 3.60 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.07 0.00 10 K 8.28 4.29 0.00 1.88 1.83 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.34 7.81 11 C 8.01 4.74 0.00 3.01 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 12 S 8.67 4.14 0.00 4.10 4.12 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 0.00 0.00 0.00 0.00 13 K 7.98 4.00 0.00 1.85 2.07 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.51 7.81 14 S 8.07 4.17 0.00 3.98 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 0.00 15 R 8.39 4.01 0.00 1.92 2.01 0.00 3.22 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.89 0.00 16 E 8.44 3.94 0.00 2.10 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 0.00 2.32 2.36 0.00 17 T 8.13 3.85 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 1.24 0.00 0.00 18 L 8.09 3.92 0.00 1.64 1.79 0.86 0.68 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 19 A 8.16 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 20 L 8.07 3.88 0.00 1.71 1.95 0.93 0.92 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 21 L 8.04 4.14 0.00 1.91 1.70 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.15 4.83 0.00 2.14 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 2.47 2.39 0.00 23 N 8.51 4.45 0.00 2.84 2.88 0.00 0.00 7.08 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 24 Q 7.76 4.37 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.12 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 25 G 8.14 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 0.00 0.00 0.00 26 I 7.50 4.24 2.02 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 1.35 0.87 0.93 0.00 0.00 27 A 8.19 4.93 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 28 P 0.00 4.66 0.00 2.07 2.06 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 29 Q 9.18 4.16 0.00 1.91 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 30 V 8.35 4.45 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 0.83 0.00 0.00 0.94 0.00 0.00 31 I 8.60 4.20 1.17 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.33 0.74 0.00 0.00 32 K 8.75 4.76 0.00 1.76 1.70 0.00 1.94 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.32 7.81 33 Y 8.19 4.56 0.00 3.50 3.56 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 34 L 6.83 3.73 0.00 1.32 1.57 0.72 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.93 4.27 0.00 2.02 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 0.00 2.25 2.21 0.00 36 T 7.87 4.15 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 1.22 0.00 0.00 37 S 8.06 3.61 0.00 4.02 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 38 P 0.00 4.28 0.00 2.32 2.15 0.00 3.86 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 39 S 8.54 4.33 0.00 4.06 4.03 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 40 V 8.39 3.58 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 0.98 0.00 0.00 0.98 0.00 0.00 41 E 8.06 3.85 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 42 E 7.99 3.91 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 43 L 8.20 3.99 0.00 1.91 1.97 1.09 1.18 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 44 K 7.79 3.55 0.00 1.67 1.61 0.00 1.36 0.00 0.00 1.39 0.00 0.00 2.75 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.30 0.30 7.81 45 R 7.99 3.95 0.00 2.04 1.97 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 46 L 8.17 3.94 0.00 1.82 1.59 0.34 0.73 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 47 Y 8.39 4.22 0.00 3.36 3.31 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 48 Q 8.00 3.79 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.66 2.55 0.00 49 Q 8.12 4.10 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 50 L 7.40 4.30 0.00 1.69 1.66 0.90 0.89 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 51 G 7.32 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 52 L 7.34 4.34 0.00 1.69 1.70 1.05 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.56 4.73 0.00 2.74 2.90 0.00 0.00 6.72 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 54 E 7.90 4.83 0.00 1.98 1.80 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 2.32 2.22 0.00 55 V 8.41 3.08 1.65 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 -0.22 0.00 0.00 0.18 0.00 0.00 56 R 7.83 3.94 0.00 1.84 1.99 0.00 3.30 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.62 0.00 57 A 7.45 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 *60 R 7.40 4.03 0.00 1.91 1.91 0.00 3.26 0.00 0.00 3.57 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.71 0.00 61 C 7.87 2.58 0.00 2.57 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.51 4.23 0.00 1.67 1.79 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.33 7.81 63 E 7.90 4.09 0.00 2.15 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 2.41 2.54 0.00 64 E 8.87 4.01 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 65 L 7.87 4.18 0.00 1.74 1.68 0.78 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.98 3.98 0.00 3.11 3.09 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 67 K 8.13 4.08 0.00 2.07 1.89 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.74 7.81 68 E 8.54 3.99 0.00 2.09 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 2.60 0.00 69 L 7.87 4.27 0.00 1.58 1.58 0.85 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 70 N 8.15 4.12 0.00 2.87 2.72 0.00 0.00 7.16 6.22 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 71 L 7.28 3.93 0.00 0.27 0.94 0.69 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.62 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 7.91 4.39 0.00 2.85 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.74 4.20 0.00 4.01 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 75 Q 8.21 4.18 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 76 L 7.47 4.26 0.00 1.70 1.57 0.85 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.35 4.43 0.00 4.01 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 78 D 8.68 4.20 0.00 2.77 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 79 D 8.23 4.55 0.00 2.72 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 80 A 8.05 3.98 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 81 L 7.34 3.82 0.00 1.34 1.45 0.75 0.71 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 82 F 7.97 4.36 0.00 3.03 3.04 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 0.00 0.00 0.00 83 A 8.43 4.24 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 84 A 7.89 3.82 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 *86 A 7.84 4.50 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 87 E 8.25 4.09 0.00 1.89 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 2.13 1.85 0.00 88 H 8.39 4.89 0.00 3.31 3.20 0.00 5.67 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 89 P 0.00 4.54 0.00 2.48 2.48 0.00 3.81 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 90 K 8.10 4.20 0.00 1.95 2.04 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.53 7.81 91 L 8.09 4.21 0.00 1.84 1.87 1.04 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 92 I 7.69 4.02 1.86 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.61 0.68 0.00 0.00 93 E 8.58 4.09 0.00 1.80 1.68 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 2.06 2.15 0.00 94 R 8.56 4.67 0.00 1.82 1.65 0.00 3.43 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.95 0.00 95 P 0.00 4.80 0.00 2.22 2.33 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.06 0.00 96 I 8.27 4.92 1.74 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.61 0.78 0.00 0.00 97 V 8.89 4.89 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 1.04 0.00 0.00 0.97 0.00 0.00 98 V 9.02 4.89 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 1.07 0.00 0.00 99 C 9.37 4.66 0.00 2.98 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 0.00 100 N 9.74 3.99 0.00 2.82 2.79 0.00 0.00 7.25 7.98 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 0.00 101 G 8.23 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 0.00 0.00 0.00 0.00 102 Q 8.03 4.78 0.00 2.20 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.68 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 103 A 8.61 5.32 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 R 8.89 4.59 0.00 1.66 1.75 0.00 3.27 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.73 0.00 105 H 8.76 4.95 0.00 3.01 3.20 0.00 5.89 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 0.00 106 G 8.20 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 0.00 107 R 7.36 4.70 0.00 1.75 1.81 0.00 3.33 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.46 0.00 108 P 0.00 4.69 0.00 2.51 2.18 0.00 3.73 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 2.04 1.98 0.00 109 P 0.00 4.33 0.00 2.19 2.19 0.00 3.88 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 110 E 8.15 4.14 0.00 2.16 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 0.00 2.36 2.31 0.00 111 Q 8.33 4.01 0.00 2.17 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 112 V 7.88 3.80 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 0.99 0.00 0.00 0.97 0.00 0.00 113 L 7.91 4.04 0.00 1.79 1.72 0.92 0.80 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 0.00 114 E 7.50 4.00 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 115 I 7.37 4.32 1.87 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 0.62 0.90 0.00 0.00 116 L 7.67 4.27 0.00 1.69 1.61 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.