NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 G 3.9127 8.3549 109.7360 44.3886 0.0000 173.3458 13 P 4.5921 0.0000 0.0000 60.7623 32.0118 174.4805 14 M 4.7421 10.0999 122.5200 53.2663 34.5912 174.7934 15 D 4.8318 8.7181 119.6356 55.1812 41.7770 175.3241 16 A 5.1018 8.8582 122.9700 50.8298 23.2310 174.9233 17 S 4.7253 8.6765 110.9882 56.6015 66.1139 175.7023 18 V 3.8275 8.3181 119.9578 63.8246 31.3786 177.3309 19 E 4.0762 7.6991 119.1450 58.8673 29.7415 177.7310 20 E 4.2104 8.1610 120.0991 55.5610 30.8453 176.9931 21 E 4.0059 9.0269 124.7644 59.4979 29.6312 179.2799 22 G 3.8465 8.0185 106.3468 47.1893 0.0000 175.4510 23 V 3.1940 7.7635 120.3717 65.7912 31.5229 178.0965 24 R 3.8924 7.8062 117.4562 59.3225 29.7996 179.3312 25 R 3.8296 7.9907 117.5301 59.1727 30.0770 179.0020 26 A 3.8100 7.8878 120.9352 54.7586 18.1589 179.3699 27 L 3.8574 8.1151 119.2539 58.5481 42.1340 179.0799 28 D 4.2739 8.1528 118.7669 57.0770 40.6386 178.3356 29 F 4.1130 8.4213 121.2132 61.3921 39.2958 177.0582 30 A 3.3201 7.8921 120.0637 54.9235 18.0198 179.8003 31 V 3.4572 7.7512 117.1218 65.7662 31.5270 178.1619 32 G 3.6758 8.0561 105.7648 48.0527 0.0000 175.3477 33 E 3.7203 7.9176 121.6568 58.8881 29.2695 178.4891 34 Y 3.9901 7.9351 119.8512 61.1479 38.5370 178.3889 35 N 4.3913 8.2083 115.5659 56.0052 38.7468 176.9835 36 K 3.9683 7.9351 119.9072 59.6450 32.4034 178.5524 37 A 4.0454 7.9447 119.5475 53.4773 18.4698 177.8519 38 S 4.3010 6.6930 111.5723 57.8484 64.1684 174.0437 39 N 4.6380 8.3380 117.4273 53.2109 38.8539 175.3026 40 D 4.4959 7.4281 118.6365 54.5020 41.8895 176.0790 41 M 4.0473 8.7868 124.6867 57.4516 32.7192 175.0298 42 Y 5.1310 8.1806 115.4058 56.3385 40.9544 175.3289 43 H 4.8959 9.0769 118.7259 56.1049 30.0564 174.8819 44 S 5.4057 9.4738 118.6412 57.2279 65.3361 173.7332 45 R 4.8491 8.7444 119.6376 54.1200 35.0403 174.4753 46 A 4.7545 8.7153 123.1529 52.4999 18.0641 177.3721 47 C 4.0177 8.7079 118.2145 60.6730 30.8927 174.1299 48 Q 4.4839 7.6933 120.0092 54.9946 32.2947 172.8616 49 V 4.3672 8.4271 126.8871 62.0101 31.7910 175.3450 50 V 4.0116 8.9720 129.6135 65.3145 32.2515 176.2967 51 R 4.8652 7.7993 118.6394 54.8492 33.8556 173.3848 52 A 5.2977 8.6845 125.8379 50.4696 22.6221 175.0623 53 R 5.4540 9.3643 120.3636 54.8309 35.3976 174.0199 54 K 5.1733 9.0091 117.8015 56.4364 36.3409 174.4937 55 Q 4.8228 8.9353 121.8297 54.7038 32.8984 173.4578 56 I 4.6168 8.4407 126.5961 60.4791 38.0723 175.5008 57 V 4.4057 8.7200 122.6599 60.6961 33.5469 177.8394 58 A 4.5083 8.5911 120.8576 50.7844 16.4350 175.1158 59 G 3.5937 7.9453 107.7547 43.0606 0.0000 170.1826 60 V 4.7648 8.7866 119.9521 61.2225 35.0215 175.4079 61 N 5.1891 8.9985 125.4959 52.2101 40.4268 173.4946 62 Y 5.0332 8.9598 121.7146 56.2338 40.9396 174.7878 63 F 5.1991 9.4285 122.3756 55.8218 42.1208 174.1955 64 L 5.2753 9.1717 124.1951 52.9827 45.2964 175.3481 65 D 5.0856 9.1072 124.0853 52.7733 42.8036 176.0278 66 V 4.8289 8.1970 116.5396 59.5440 36.6509 174.2249 67 E 4.9616 9.2370 122.7804 54.7895 31.7722 174.9164 68 L 5.2264 8.7381 124.6129 53.1822 44.7632 175.3129 69 C 5.0821 9.2699 120.6366 57.7269 32.1453 173.9898 70 R 4.5532 9.2016 123.4959 56.7104 31.0078 176.1204 71 T 5.2612 8.6727 112.7595 59.4542 71.5411 174.1638 72 T 4.1965 8.3325 109.3571 61.7506 69.4289 174.1299 73 C 4.7510 7.7132 121.3078 58.4391 29.6786 173.7393 74 T 4.0737 7.8440 113.0860 61.1262 68.9841 174.9915 75 K 3.7086 8.2474 122.1780 58.8114 32.2555 178.3084 76 T 4.1045 7.4331 108.3203 61.9687 69.9639 175.7081 77 Q 3.7265 8.1444 118.8434 55.2402 27.8765 172.7461 *80 L 4.3487 7.9418 115.8535 55.8387 42.0266 177.1921 81 D 4.9153 8.5951 123.8607 55.2055 41.8016 176.0289 82 N 4.5011 8.1640 115.4238 52.9331 38.0840 174.4285 83 C 3.9816 7.8412 117.5727 59.7336 28.5547 171.5681 84 P 4.3763 0.0000 0.0000 62.1038 32.5941 175.8138 85 F 4.8082 8.2303 120.5239 57.6785 39.6280 174.9384 86 H 4.1897 8.8180 120.5276 56.6772 28.5047 175.5282 87 D 4.4929 8.8789 121.9241 55.7379 40.2278 176.9974 88 Q 4.1717 7.9733 119.9025 54.6597 29.3918 174.8551 89 P 4.1976 0.0000 0.0000 66.0843 31.4810 177.6763 90 H 4.6050 7.9669 111.6337 56.7371 28.8765 175.6154 91 L 4.3122 7.4791 119.1202 55.8874 43.0568 177.7808 92 K 3.9826 8.6374 120.3696 58.8676 32.7147 176.9608 93 R 3.8043 8.0447 115.2701 56.6042 28.0797 176.6696 94 K 4.2047 7.7199 118.3798 57.0505 33.7750 175.9581 95 A 5.1798 9.0475 128.6493 50.0939 22.5327 174.3998 96 F 5.0455 9.2395 123.8542 56.8387 41.4782 174.0572 97 C 5.1481 7.9069 122.7040 54.9420 45.6082 173.0938 98 S 4.8322 8.4662 118.3246 56.7432 65.3468 173.0840 99 F 5.5446 9.0242 124.0747 55.7024 42.2214 174.4525 100 Q 4.9538 9.2992 123.5292 54.4306 31.8073 173.9791 101 I 5.0366 8.8230 127.6659 59.6878 40.4182 173.8069 102 Y 5.1348 8.9878 128.4174 55.9947 40.4825 173.9283 103 A 4.5715 9.0114 129.3021 50.0083 22.2119 175.2327 104 V 3.3201 7.4953 122.2187 59.5971 31.2828 174.2243 105 P 4.0247 0.0000 0.0000 64.2465 31.6655 178.3338 106 W 4.4966 6.8164 113.0514 57.6565 28.6164 176.5830 107 Q 4.3788 7.5057 117.1164 55.0684 28.7920 175.7442 108 G 3.8207 7.6048 106.2697 46.5079 0.0000 173.5914 109 T 4.6275 7.2841 108.2742 59.8488 72.1009 172.6384 110 M 5.0919 7.9835 121.5879 54.1772 36.1469 174.3308 111 T 4.7483 8.6687 112.5213 59.9784 72.8887 173.1367 112 L 4.7627 8.9142 126.5180 54.3765 41.0574 176.0487 113 S 4.4353 9.0208 122.9060 61.0961 63.5029 174.7611 114 K 4.6995 7.8955 118.4594 55.3537 35.7563 174.9884 115 S 5.2532 8.6799 120.5675 57.3744 65.1535 172.9281 116 T 4.7717 8.9987 118.0731 60.1223 71.2513 172.4398 117 C 5.5520 8.7785 122.4310 55.4701 41.8978 173.0689 118 Q 4.7621 8.9790 119.2037 54.8266 32.1555 173.2802 119 D 4.9086 8.7786 119.8279 54.5957 41.5446 176.7664 120 A 4.1768 8.6579 124.9705 52.5343 18.3949 177.1888 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 12 G 8.35 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 13 P 0.00 4.59 0.00 1.90 1.92 0.00 3.52 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 14 M 10.10 4.74 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.77 0.00 15 D 8.72 4.83 0.00 2.61 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 16 A 8.86 5.10 1.40 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 17 S 8.68 4.73 0.00 4.03 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 0.00 18 V 8.32 3.83 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 0.76 0.00 0.00 0.95 0.00 0.00 19 E 7.70 4.08 0.00 2.04 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 2.36 2.30 0.00 20 E 8.16 4.21 0.00 2.19 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 2.38 2.47 0.00 21 E 9.03 4.01 0.00 2.00 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 2.37 2.34 0.00 22 G 8.02 3.85 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 0.00 0.00 0.00 23 V 7.76 3.19 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 1.17 0.00 0.00 1.18 0.00 0.00 24 R 7.81 3.89 0.00 2.02 1.94 0.00 3.18 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 25 R 7.99 3.83 0.00 1.83 1.85 0.00 3.06 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 26 A 7.89 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.12 3.86 0.00 1.77 1.87 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.15 4.27 0.00 2.72 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 29 F 8.42 4.11 0.00 2.98 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 30 A 7.89 3.32 0.43 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 31 V 7.75 3.46 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 0.99 0.00 0.00 0.91 0.00 0.00 32 G 8.06 3.68 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 0.00 0.00 0.00 33 E 7.92 3.72 0.00 1.68 1.74 0.00 0.00 0.00 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 1.68 0.00 34 Y 7.94 3.99 0.00 3.04 3.16 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 35 N 8.21 4.39 0.00 3.00 3.00 0.00 0.00 7.06 7.12 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 36 K 7.94 3.97 0.00 1.78 1.94 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.42 7.81 37 A 7.94 4.05 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 38 S 6.69 4.30 0.00 3.78 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 39 N 8.34 4.64 0.00 2.72 2.87 0.00 0.00 6.89 8.06 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 40 D 7.43 4.50 0.00 2.71 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 41 M 8.79 4.05 0.00 1.60 1.98 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 42 Y 8.18 5.13 0.00 3.10 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 43 H 9.08 4.90 0.00 3.16 3.23 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 9.47 5.41 0.00 3.96 3.85 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 45 R 8.74 4.85 0.00 2.00 1.86 0.00 3.10 0.00 0.00 3.38 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 46 A 8.72 4.75 1.27 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 0.00 0.00 47 C 8.71 4.02 0.00 2.48 1.62 0.00 0.00 0.00 0.00 0.00 0.00 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 7.69 4.48 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 49 V 8.43 4.37 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 0.85 0.00 0.00 0.96 0.00 0.00 50 V 8.97 4.01 2.36 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 0.86 0.00 0.00 1.05 0.00 0.00 51 R 7.80 4.87 0.00 1.95 1.95 0.00 3.21 0.00 0.00 3.38 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 52 A 8.68 5.30 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 53 R 9.36 5.45 0.00 1.90 1.91 0.00 3.12 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 54 K 9.01 5.17 0.00 1.50 1.81 0.00 1.11 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.37 7.81 55 Q 8.94 4.82 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 56 I 8.44 4.62 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.00 1.06 0.00 0.00 57 V 8.72 4.41 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 0.76 0.00 0.00 1.17 0.00 0.00 58 A 8.59 4.51 1.40 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 59 G 7.95 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 60 V 8.79 4.76 1.87 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 0.34 0.00 0.00 0.98 0.00 0.00 61 N 9.00 5.19 0.00 2.70 2.28 0.00 0.00 6.51 7.45 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 62 Y 8.96 5.03 0.00 2.79 2.84 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 63 F 9.43 5.20 0.00 2.98 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 64 L 9.17 5.28 0.00 1.76 1.64 0.98 1.12 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 65 D 9.11 5.09 0.00 2.68 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.20 4.83 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 0.82 0.00 0.00 0.79 0.00 0.00 67 E 9.24 4.96 0.00 1.81 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 2.41 2.40 0.00 68 L 8.74 5.23 0.00 1.34 1.38 -0.06 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 69 C 9.27 5.08 0.00 2.43 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 70 R 9.20 4.55 0.00 2.01 1.96 0.00 3.15 0.00 0.00 3.49 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.83 0.00 71 T 8.67 5.26 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 1.20 0.00 0.00 72 T 8.33 4.20 4.19 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 0.90 0.00 0.00 73 C 7.71 4.75 0.00 3.06 3.01 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 74 T 7.84 4.07 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 0.83 0.00 0.00 75 K 8.25 3.71 0.00 1.60 1.69 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.16 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.18 1.38 7.81 76 T 7.43 4.10 4.19 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 1.15 0.00 0.00 77 Q 8.14 3.73 0.00 2.33 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.56 0.00 0.00 0.00 0.00 0.00 2.17 2.35 0.00 *80 L 7.94 4.35 0.00 1.64 1.56 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.60 4.92 0.00 2.55 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 82 N 8.16 4.50 0.00 2.77 2.88 0.00 0.00 6.26 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 83 C 7.84 3.98 0.00 2.90 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 84 P 0.00 4.38 0.00 2.06 2.11 0.00 3.63 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 1.99 1.94 0.00 85 F 8.23 4.81 0.00 3.00 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 86 H 8.82 4.19 0.00 3.11 3.27 0.00 5.65 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 87 D 8.88 4.49 0.00 2.80 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 88 Q 7.97 4.17 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.33 0.00 89 P 0.00 4.20 0.00 1.85 2.01 0.00 3.81 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 90 H 7.97 4.61 0.00 3.11 3.33 0.00 5.88 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.48 4.31 0.00 1.48 1.09 0.78 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.64 3.98 0.00 1.99 1.93 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.43 1.46 7.81 93 R 8.04 3.80 0.00 1.97 1.96 0.00 3.35 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 94 K 7.72 4.20 0.00 1.80 1.68 0.00 1.64 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.50 1.40 7.81 95 A 9.05 5.18 1.20 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 96 F 9.24 5.05 0.00 3.09 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 97 C 7.91 5.15 0.00 2.01 1.57 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 98 S 8.47 4.83 0.00 3.62 3.71 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 99 F 9.02 5.54 0.00 2.95 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 0.00 100 Q 9.30 4.95 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.04 1.71 0.00 101 I 8.82 5.04 1.99 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 1.37 0.57 0.86 0.00 0.00 102 Y 8.99 5.13 0.00 3.09 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 0.00 103 A 9.01 4.57 1.08 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 0.00 0.00 104 V 7.50 3.32 1.59 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 0.14 0.00 0.00 0.34 0.00 0.00 105 P 0.00 4.02 0.00 2.24 2.00 0.00 2.20 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.91 0.00 106 W 6.82 4.50 0.00 3.40 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 0.00 107 Q 7.51 4.38 0.00 1.83 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 108 G 7.60 3.82 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 0.00 0.00 0.00 109 T 7.28 4.63 4.10 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 1.18 0.00 0.00 110 M 7.98 5.09 0.00 0.51 1.30 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 111 T 8.67 4.75 4.34 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 1.23 0.00 0.00 112 L 8.91 4.76 0.00 1.70 1.70 1.03 0.77 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 0.00 113 S 9.02 4.44 0.00 4.01 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 0.00 114 K 7.90 4.70 0.00 1.86 1.68 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.50 7.81 115 S 8.68 5.25 0.00 4.09 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 0.00 116 T 9.00 4.77 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 1.25 0.00 0.00 117 C 8.78 5.55 0.00 2.96 3.05 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 0.00 118 Q 8.98 4.76 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 119 D 8.78 4.91 0.00 2.59 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 0.00 120 A 8.66 4.18 1.26 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.