NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2985 8.4444 121.4710 55.2521 31.9040 175.3985 3 S 4.3492 7.3964 111.1635 55.8674 65.4256 173.5872 4 K 4.0318 9.5576 129.8717 59.3052 33.3704 178.4074 5 R 3.8242 7.9652 117.5587 58.8214 30.1089 177.3668 6 N 4.8763 7.9893 113.1370 52.9250 38.6969 174.3750 7 K 4.5215 7.5867 120.9019 54.0160 33.3784 174.4693 8 P 4.7666 0.0000 0.0000 63.6778 32.2405 175.3455 9 G 3.9981 8.6042 108.4079 45.7744 0.0000 171.8630 10 K 5.6510 8.6031 118.9219 53.7939 33.9701 176.8093 11 A 4.6741 8.7606 126.6832 52.3423 19.8483 176.4770 12 T 4.8209 8.9983 111.9272 59.7489 72.8879 173.6752 13 G 4.2817 9.0145 107.7317 45.2522 0.0000 173.6898 14 K 4.1261 9.5500 118.6763 55.9546 33.2049 178.7164 15 G 4.1849 9.3347 107.1591 44.9867 0.0000 172.5539 16 K 4.6434 8.0101 116.1130 53.9845 36.4190 174.0888 17 P 4.9064 0.0000 0.0000 62.5371 31.7315 176.0590 18 V 4.6683 7.9416 113.6338 59.6576 36.3396 175.0585 19 G 4.1199 8.0664 109.9131 45.0346 0.0000 174.1568 20 D 4.4114 8.9305 119.7302 56.7177 41.3288 176.8330 21 K 4.4163 8.0343 118.9595 55.9580 32.6861 177.2324 22 W 4.5477 8.1420 128.6952 61.3881 30.0740 178.0296 23 L 3.4638 7.8820 117.3187 56.9445 41.0870 179.0437 24 D 4.4029 7.9900 119.6497 57.3740 40.7832 178.2160 25 D 4.4825 8.1434 118.3047 56.6206 40.7534 178.3609 26 A 4.6713 7.7622 121.3169 54.3077 18.0548 178.6637 27 G 3.9688 7.6573 101.6592 43.9066 0.0000 173.4536 28 K 4.7750 7.6330 120.1297 55.1309 37.2126 178.5709 29 D 4.1285 8.1653 120.8651 56.4242 39.5901 175.0402 30 S 4.4962 8.8593 123.7793 59.1761 62.7294 173.1203 31 G 3.7710 8.1043 106.8282 44.2913 0.0000 172.8279 32 A 4.8039 8.5191 120.2244 49.8307 20.5945 175.7340 33 P 4.7859 0.0000 0.0000 62.5917 32.9232 175.9825 34 I 4.1382 8.3095 121.5420 60.5011 38.3125 174.3362 35 P 4.5210 0.0000 0.0000 62.0515 31.9719 176.9692 36 D 4.8881 8.5728 123.9334 56.3573 38.7201 179.6401 37 R 3.8673 7.6696 117.9096 58.8915 30.3914 178.6451 38 I 3.7626 7.4659 119.0074 64.1584 37.2045 177.9778 39 A 4.0259 7.8549 121.6324 55.4618 17.9838 179.3380 40 D 4.3588 8.0203 116.1649 57.5625 40.9300 178.9563 41 K 4.1570 7.8497 117.9869 58.3756 32.4714 178.4272 42 L 4.6130 7.6851 117.4092 53.9214 42.7598 176.4004 43 R 4.2792 7.6781 119.4884 58.2999 30.1992 176.3480 44 D 4.7216 9.3542 123.9573 54.2167 40.1145 174.4901 45 K 4.1023 7.8843 120.9582 56.0587 33.6437 174.8615 46 E 4.8257 8.1493 125.5330 54.6609 31.0427 174.9023 47 F 4.9068 8.7941 125.3919 55.7228 41.6894 176.8631 48 K 4.1335 9.0579 121.3063 58.6477 32.5800 177.2755 49 S 5.0480 7.7049 113.6585 57.0559 66.8299 175.0676 50 F 4.3858 9.6601 124.4752 61.3591 39.0235 176.6822 51 D 4.4680 8.4916 118.3297 57.6048 40.6701 178.2481 52 D 4.4133 8.1537 117.7639 57.3407 41.1795 178.0301 53 F 2.6757 7.8493 120.7116 60.9295 39.3817 176.9477 54 R 3.3785 7.9517 118.4880 59.2066 29.8219 178.3256 55 K 4.3544 8.3873 120.4497 58.8588 32.0741 178.6523 56 A 3.9335 7.7108 120.9684 54.9763 18.2143 179.6036 57 V 3.0620 7.1713 116.9990 65.9676 31.3748 178.3922 58 W 4.4959 7.6359 118.2492 59.8335 28.6174 178.4485 59 E 4.0171 8.2295 117.8807 59.2699 29.2491 179.0382 60 E 4.0587 8.3943 118.8755 59.4290 29.5314 179.2947 61 V 3.6046 7.9850 118.5366 66.4357 31.5133 177.9966 62 S 4.2651 8.5051 115.0610 61.2199 62.4273 175.8911 63 K 4.6375 7.5789 118.1044 55.7464 32.8750 175.5982 64 D 4.7972 7.9532 121.7744 51.9241 42.5951 174.3303 65 P 4.3955 0.0000 0.0000 66.3457 30.7296 177.8785 66 E 3.9830 8.0895 117.7250 58.6572 29.7936 178.3466 67 L 4.1690 7.7633 117.2362 57.6332 41.8015 178.9542 68 S 4.4453 8.9536 113.8968 59.2921 62.4830 174.2642 69 K 3.6755 8.2977 123.1311 58.1227 32.2705 175.3017 70 N 4.0490 8.6336 123.7087 54.1731 36.3621 170.8675 71 L 4.5538 8.1547 119.0885 52.4171 43.0381 177.3147 72 N 4.6479 8.5543 121.9833 51.6169 39.4141 173.9059 73 P 4.2306 0.0000 0.0000 66.3101 31.4667 179.0389 74 S 4.1376 8.1217 112.9544 61.6945 62.6791 176.4061 75 N 4.5159 9.0936 119.6780 55.8915 38.1900 177.5679 76 K 3.9576 8.4244 120.6177 59.6687 31.9517 179.3102 77 S 4.1064 8.1078 114.2919 61.5839 62.9542 176.5144 78 S 4.1461 7.9439 115.1169 61.6876 62.2826 176.7721 79 V 4.0970 8.3685 116.8507 63.7328 31.0499 178.5913 80 S 4.5184 8.2169 114.8725 60.0261 62.7708 175.7091 81 K 4.1738 7.7608 120.5662 55.9240 32.0364 177.2882 82 G 3.9726 8.3873 108.6513 46.0049 0.0000 173.0996 83 Y 4.6468 7.3020 116.6680 56.3646 39.2469 174.8607 84 S 2.8765 8.2128 117.2798 56.7928 63.3936 172.3370 85 P 4.4354 0.0000 0.0000 62.6840 32.4208 175.4610 86 F 4.4093 9.3003 121.1280 57.6323 39.4540 175.6793 87 T 4.1457 8.2736 113.6041 59.8163 70.3076 172.7891 88 P 4.2680 0.0000 0.0000 62.7758 32.3153 177.2127 89 K 3.9638 8.9889 123.1954 59.7481 31.9780 178.4160 90 N 4.4290 8.1841 113.5669 54.9847 37.3432 175.1039 91 Q 4.4286 8.0261 117.2561 55.7282 29.6023 175.4505 92 Q 4.4073 7.6593 117.6850 55.2887 29.6660 175.9656 93 V 4.1917 8.0605 119.9337 61.7314 34.2290 175.1125 94 G 3.9012 8.6729 118.7946 46.7041 0.0000 174.3210 95 G 3.6665 8.7816 112.5451 46.5627 0.0000 173.5743 96 R 4.3086 8.1814 121.1545 54.7576 29.1150 176.6046 97 K 4.5016 8.2053 120.3587 55.6906 34.0273 176.2814 98 V 4.4492 7.0113 111.2601 58.8892 34.5065 175.1142 99 Y 4.1407 7.7000 119.7571 58.6381 38.3683 176.0043 100 E 4.9242 9.9290 123.3605 54.5538 33.3186 175.0153 101 L 4.9758 8.8065 123.3788 54.3311 42.7845 175.4807 102 H 4.9971 9.3878 124.6333 54.6885 32.8252 172.6228 103 H 4.9853 8.4424 121.1618 54.3295 29.4088 173.9941 104 D 4.3165 8.5866 124.5649 56.8784 41.5233 176.5323 105 K 4.3376 9.0871 121.9766 53.7758 32.9394 173.7490 106 P 4.3470 0.0000 0.0000 62.9769 32.1322 177.5007 107 I 3.9319 8.4732 121.7880 63.8807 37.1978 178.5860 108 S 4.3655 7.9258 113.3095 60.4052 63.0701 174.6297 109 Q 4.3226 7.9462 118.3387 55.6258 28.7104 176.1683 110 G 3.9539 8.5770 107.4282 44.8184 0.0000 174.7118 111 G 3.9458 8.0708 108.9496 44.8158 0.0000 173.0516 112 E 4.2502 8.2926 120.5723 55.3227 30.6526 177.4384 113 V 3.2581 8.3371 122.7421 65.6805 31.4966 176.4840 114 Y 4.2679 7.6531 114.1263 57.4463 38.6928 175.0849 115 D 5.1429 7.4741 120.3799 53.4168 42.3244 175.9345 *117 D 4.6180 8.3292 118.6372 53.8568 42.6826 175.9156 118 N 4.8468 8.4256 117.1864 53.1880 40.0520 173.6640 119 I 4.9465 7.6473 117.7499 59.9336 39.7395 175.1010 120 R 4.9442 9.1438 125.0682 54.4019 34.3531 174.4323 121 V 4.8133 9.2284 123.5412 62.0779 33.2407 174.9067 122 T 5.8958 9.2417 116.8879 59.3768 72.6400 173.1868 123 T 4.2861 8.4114 112.7009 60.4411 70.8897 173.7740 124 P 4.2074 0.0000 0.0000 65.7508 31.3308 178.7022 125 K 3.8465 8.4544 118.6156 59.7577 32.0245 178.8214 126 R 3.9242 8.2563 118.9491 59.3942 29.7287 177.8251 127 H 4.1346 8.3652 117.9600 59.3479 29.9177 177.0623 128 I 3.8738 7.4830 120.1749 64.4617 37.1103 177.9048 129 D 4.5261 8.1049 118.6474 56.4236 41.9923 177.5682 130 I 4.1825 8.1253 122.4740 59.1581 35.7260 175.3336 131 H 4.3649 7.6438 122.8806 56.6339 29.5078 172.9357 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 E 8.44 4.30 0.00 1.93 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 2.20 2.38 0.00 3 S 7.40 4.35 0.00 3.93 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.56 4.03 0.00 1.79 1.72 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.44 7.81 5 R 7.97 3.82 0.00 1.91 2.02 0.00 3.16 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 6 N 7.99 4.88 0.00 2.91 2.90 0.00 0.00 6.87 7.30 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 7 K 7.59 4.52 0.00 1.69 1.91 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.52 7.81 8 P 0.00 4.77 0.00 2.00 2.01 0.00 3.84 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 2.07 2.17 0.00 9 G 8.60 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 0.00 0.00 0.00 10 K 8.60 5.65 0.00 1.62 1.72 0.00 1.77 0.00 0.00 2.43 0.00 0.00 2.72 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.19 7.81 11 A 8.76 4.67 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 0.00 0.00 12 T 9.00 4.82 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 1.24 0.00 0.00 13 G 9.01 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 0.00 0.00 0.00 0.00 14 K 9.55 4.13 0.00 1.86 1.85 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.42 7.81 15 G 9.33 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 0.00 0.00 0.00 0.00 16 K 8.01 4.64 0.00 1.82 1.65 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.41 7.81 17 P 0.00 4.91 0.00 2.02 1.96 0.00 3.66 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 18 V 7.94 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 0.56 0.00 0.00 0.46 0.00 0.00 19 G 8.07 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 0.00 0.00 0.00 20 D 8.93 4.41 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 21 K 8.03 4.42 0.00 1.88 1.82 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.51 7.81 22 W 8.14 4.55 0.00 3.45 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 23 L 7.88 3.46 0.00 1.51 1.13 0.62 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.99 4.40 0.00 2.83 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 25 D 8.14 4.48 0.00 3.04 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 26 A 7.76 4.67 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 27 G 7.66 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 28 K 7.63 4.77 0.00 1.78 1.67 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.44 7.81 29 D 8.17 4.13 0.00 2.83 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 0.00 0.00 0.00 30 S 8.86 4.50 0.00 3.89 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 31 G 8.10 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 0.00 0.00 0.00 32 A 8.52 4.80 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.79 0.00 2.15 2.14 0.00 4.00 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 2.10 2.08 0.00 34 I 8.31 4.14 1.92 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 1.61 1.47 0.91 0.00 0.00 35 P 0.00 4.52 0.00 1.75 1.42 0.00 3.35 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.76 0.00 36 D 8.57 4.89 0.00 2.89 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 37 R 7.67 3.87 0.00 1.64 1.93 0.00 3.01 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 38 I 7.47 3.76 1.87 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.67 0.74 0.00 0.00 39 A 7.85 4.03 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 40 D 8.02 4.36 0.00 2.63 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 41 K 7.85 4.16 0.00 1.85 1.85 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.44 7.81 42 L 7.69 4.61 0.00 1.80 1.97 0.58 0.93 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 43 R 7.68 4.28 0.00 2.02 1.89 0.00 3.33 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 44 D 9.35 4.72 0.00 2.83 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 45 K 7.88 4.10 0.00 2.07 1.07 0.00 1.59 0.00 0.00 1.38 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.12 1.25 7.81 46 E 8.15 4.83 0.00 1.87 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.34 0.00 47 F 8.79 4.91 0.00 2.69 3.15 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 48 K 9.06 4.13 0.00 1.83 1.95 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.16 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.52 7.81 49 S 7.70 5.05 0.00 4.25 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 50 F 9.66 4.39 0.00 2.85 3.08 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 51 D 8.49 4.47 0.00 2.83 2.81 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 52 D 8.15 4.41 0.00 2.94 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 53 F 7.85 2.68 0.00 2.70 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 54 R 7.95 3.38 0.00 1.48 1.93 0.00 3.23 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.82 0.00 55 K 8.39 4.35 0.00 1.94 1.98 0.00 1.85 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.55 7.81 56 A 7.71 3.93 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 57 V 7.17 3.06 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 0.25 0.00 0.00 -0.15 0.00 0.00 58 W 7.64 4.50 0.00 3.48 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 59 E 8.23 4.02 0.00 1.95 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 2.36 2.51 0.00 60 E 8.39 4.06 0.00 1.99 1.91 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 2.46 2.39 0.00 61 V 7.98 3.60 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 1.48 0.00 0.00 1.06 0.00 0.00 62 S 8.51 4.27 0.00 4.13 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 63 K 7.58 4.64 0.00 1.93 1.90 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.73 1.42 7.81 64 D 7.95 4.80 0.00 2.59 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.40 0.00 2.29 2.31 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 66 E 8.09 3.98 0.00 1.93 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 0.00 2.23 2.39 0.00 67 L 7.76 4.17 0.00 1.67 1.69 0.56 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.95 4.45 0.00 4.18 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 69 K 8.30 3.68 0.00 1.84 1.78 0.00 1.92 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.48 7.81 70 N 8.63 4.05 0.00 2.89 2.83 0.00 0.00 7.12 7.78 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 71 L 8.15 4.55 0.00 1.91 1.65 0.96 1.09 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 72 N 8.55 4.65 0.00 2.93 2.99 0.00 0.00 6.18 7.76 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 73 P 0.00 4.23 0.00 2.18 2.18 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 74 S 8.12 4.14 0.00 3.85 3.90 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 75 N 9.09 4.52 0.00 2.75 2.91 0.00 0.00 6.98 8.02 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 76 K 8.42 3.96 0.00 2.00 1.88 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.79 7.81 77 S 8.11 4.11 0.00 3.97 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 78 S 7.94 4.15 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 79 V 8.37 4.10 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 0.97 0.00 0.00 1.10 0.00 0.00 80 S 8.22 4.52 0.00 3.96 4.06 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 81 K 7.76 4.17 0.00 0.79 1.22 0.00 1.62 0.00 0.00 1.55 0.00 0.00 3.13 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.21 1.24 7.81 82 G 8.39 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 83 Y 7.30 4.65 0.00 2.88 2.62 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 84 S 8.21 2.88 0.00 3.68 3.48 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 0.00 0.00 0.00 85 P 0.00 4.44 0.00 2.12 2.01 0.00 2.20 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.44 0.00 86 F 9.30 4.41 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 87 T 8.27 4.15 3.90 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 0.08 0.00 0.00 88 P 0.00 4.27 0.00 2.31 2.05 0.00 3.57 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 89 K 8.99 3.96 0.00 1.76 1.81 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.44 7.81 90 N 8.18 4.43 0.00 2.84 2.94 0.00 0.00 5.92 7.39 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 91 Q 8.03 4.43 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 92 Q 7.66 4.41 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 93 V 8.06 4.19 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 1.05 0.00 0.00 0.91 0.00 0.00 94 G 8.67 3.90 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 0.00 0.00 0.00 95 G 8.78 3.67 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 0.00 96 R 8.18 4.31 0.00 2.04 2.01 0.00 3.04 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 97 K 8.21 4.50 0.00 1.87 2.01 0.00 1.69 0.00 0.00 2.03 0.00 0.00 2.90 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.44 7.81 98 V 7.01 4.45 1.75 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 -0.10 0.00 0.00 0.71 0.00 0.00 99 Y 7.70 4.14 0.00 2.66 3.02 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 0.00 100 E 9.93 4.92 0.00 1.86 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 2.26 2.48 0.00 101 L 8.81 4.98 0.00 1.95 1.93 0.84 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 102 H 9.39 5.00 0.00 2.79 3.03 0.00 5.76 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 0.00 103 H 8.44 4.99 0.00 2.89 3.25 0.00 5.97 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.59 4.32 0.00 2.65 2.83 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 0.00 105 K 9.09 4.34 0.00 1.75 1.79 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.36 7.81 106 P 0.00 4.35 0.00 2.17 1.95 0.00 3.62 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 2.09 2.10 0.00 107 I 8.47 3.93 1.67 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.98 0.75 0.00 0.00 108 S 7.93 4.37 0.00 3.94 3.96 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 0.00 109 Q 7.95 4.32 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.51 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 110 G 8.58 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 0.00 0.00 0.00 111 G 8.07 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 0.00 0.00 0.00 0.00 112 E 8.29 4.25 0.00 1.95 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 2.27 2.23 0.00 113 V 8.34 3.26 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 -0.17 0.00 0.00 0.68 0.00 0.00 114 Y 7.65 4.27 0.00 3.00 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 0.00 115 D 7.47 5.14 0.00 2.77 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 *117 D 8.33 4.62 0.00 2.97 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 0.00 118 N 8.43 4.85 0.00 3.00 2.88 0.00 0.00 6.83 7.46 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 0.00 119 I 7.65 4.95 1.93 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 1.12 0.87 1.07 0.00 0.00 120 R 9.14 4.94 0.00 1.72 1.96 0.00 3.33 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.92 0.00 121 V 9.23 4.81 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 1.02 0.00 0.00 1.00 0.00 0.00 122 T 9.24 5.90 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 123 T 8.41 4.29 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 1.22 0.00 0.00 124 P 0.00 4.21 0.00 2.22 2.20 0.00 3.64 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.29 0.00 125 K 8.45 3.85 0.00 1.85 1.95 0.00 1.50 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.49 7.81 126 R 8.26 3.92 0.00 1.96 2.00 0.00 3.21 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 127 H 8.37 4.13 0.00 3.28 3.30 0.00 5.82 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 0.00 128 I 7.48 3.87 1.85 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 1.46 0.61 0.88 0.00 0.00 129 D 8.10 4.53 0.00 2.66 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 0.00 130 I 8.13 4.18 1.81 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 1.36 0.68 0.89 0.00 0.00 131 H 7.64 4.36 0.00 3.24 3.04 0.00 5.95 0.00 0.00 0.00 0.00 6.91 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.