NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3546 0.0000 0.0000 62.4911 32.6549 175.5944 3 R 4.0915 8.3567 121.6307 55.2604 31.0042 174.7582 4 A 4.5832 7.9073 126.4654 49.3000 19.8053 175.1518 5 K 4.1973 8.0422 120.8690 56.3898 33.7654 178.4446 6 T 3.9620 8.5830 115.8442 66.5077 69.3044 175.9829 7 G 3.8760 7.5984 108.2425 47.1091 0.0000 175.4909 8 V 3.8392 8.7815 115.7764 64.2397 32.3308 179.3397 9 V 3.3180 7.2804 119.2191 65.3829 32.7193 177.7341 10 R 3.8383 8.0568 119.5265 59.1412 29.9054 177.9721 11 R 3.8022 7.8343 118.4421 59.5801 30.0241 178.4241 12 R 3.8888 7.9771 117.1032 59.4339 29.8299 178.7660 13 K 3.8973 8.0797 119.0241 59.7720 31.9881 178.6072 14 H 4.3742 8.3540 116.6030 58.6439 28.7453 177.5287 15 K 3.8389 8.6227 120.7188 59.5518 31.6991 178.6659 16 K 3.8058 8.2296 119.7192 59.9639 31.7902 178.5681 17 I 3.7182 7.1715 116.8982 64.3121 37.3407 177.9366 18 L 4.1085 8.1053 120.0593 57.8069 41.4985 179.1945 19 K 3.7625 8.0438 119.2565 59.9194 31.8813 178.5405 20 L 4.1056 7.4942 116.5586 56.6649 41.2970 178.2606 21 A 4.4515 8.1744 120.8862 50.6775 20.1337 176.4162 22 K 3.8624 7.0815 120.1944 58.9576 32.6093 178.2413 23 G 3.9289 8.6830 110.3671 45.5931 0.0000 173.5615 24 Y 4.6989 7.2698 116.6740 57.2703 38.9532 175.3042 25 W 4.2056 9.0103 132.9108 58.3942 32.5778 175.6739 26 G 3.7581 7.5884 113.5266 47.0056 0.0000 177.1020 27 L 4.1712 8.5449 124.3132 56.5426 41.9137 178.6814 28 R 4.0858 8.1403 118.1685 58.1321 30.0300 177.7493 29 S 5.0214 7.8232 109.6685 56.6859 63.8057 174.5255 30 K 4.3828 7.9831 119.5192 56.5190 34.5133 175.9462 31 S 4.6282 8.4547 117.0403 56.7937 63.8700 174.6882 *32 F 3.9721 8.9204 129.8580 62.3311 37.6592 174.2113 33 R 4.1411 7.8694 118.0738 59.0709 29.9023 179.2950 34 K 3.9182 8.3035 118.0634 59.2465 32.0139 179.0337 35 A 4.6907 8.6545 123.3318 54.9292 18.2341 179.1445 36 R 3.4721 8.6014 117.6338 59.6773 29.5524 178.1616 37 E 3.7393 7.9043 117.4536 59.9739 29.4628 180.0983 38 T 3.6966 7.7995 115.3323 66.6640 68.5867 176.6645 39 L 3.9760 8.0030 121.1702 57.8808 41.4577 179.6024 40 F 4.4729 8.0400 117.4466 60.6533 38.8885 177.4646 41 A 3.6562 7.6428 119.1858 55.1374 18.1054 179.3790 42 A 4.1233 8.1454 119.5575 55.2443 18.4362 179.9607 43 G 3.6716 8.6483 104.3843 48.3936 0.0000 175.7619 44 N 4.5180 7.8816 119.5820 55.5929 38.4241 177.2477 45 Y 4.3439 8.0478 118.2574 61.5606 38.0354 177.9723 46 A 4.0585 8.5877 121.8364 55.1105 18.2004 178.6500 47 Y 4.0898 8.3509 116.0521 61.0020 38.5232 178.9966 48 A 3.9233 8.5524 120.9162 54.7431 18.6537 178.8203 49 H 4.5455 8.3904 114.4155 58.0032 29.0565 177.9426 50 R 4.0301 8.0370 120.6391 58.9920 29.7179 178.9405 51 K 4.0423 7.3385 117.0177 58.8584 32.2245 179.0767 52 R 4.1805 7.5155 117.2435 58.5809 30.4693 178.4664 53 R 4.3875 8.0982 120.2293 58.9493 29.9751 178.5731 54 K 4.0845 7.7214 117.0247 59.3382 32.3899 178.9938 55 R 4.2860 7.7071 113.7893 57.3790 29.6971 177.9217 56 D 4.2303 8.3820 121.4224 57.5738 40.7605 178.3723 57 F 3.3983 7.6519 116.7414 59.6994 38.7120 177.9405 58 R 4.0214 7.1077 116.6047 59.3983 29.9189 178.9865 59 R 3.7346 7.3410 117.0808 59.2304 30.2527 178.0360 60 L 3.8055 7.1508 119.8312 58.8182 41.9423 178.2329 61 W 4.5434 8.9953 119.3883 59.0451 28.7114 178.9639 62 I 3.5686 8.6626 119.1297 64.3511 36.7830 177.7478 63 V 3.4803 7.9333 118.9087 66.6553 31.4243 178.1374 64 R 3.9176 7.9398 116.6760 60.3859 29.9326 178.2165 65 I 3.5276 8.2061 119.6536 62.9474 37.0596 177.4937 66 N 4.1129 9.1085 119.4792 57.4514 38.8256 176.6596 67 A 4.0030 8.1408 122.0177 54.7051 18.7222 179.0074 68 A 4.0627 8.1610 117.4982 55.4627 18.6985 179.2302 69 C 3.6469 8.7317 117.5529 63.0999 31.4895 176.4346 70 R 4.7974 7.8439 120.3182 58.9062 29.4415 178.6613 71 Q 4.0559 7.8815 116.9362 59.0379 28.9101 177.4761 72 H 4.7645 7.7609 114.0518 56.2172 29.1470 176.7906 73 G 4.0656 8.5304 109.2930 45.3062 0.0000 174.0428 74 L 4.9053 7.3840 118.6281 53.1328 43.9581 175.2695 75 N 5.0778 8.3501 116.9992 51.7685 40.2588 175.1603 76 Y 4.1691 8.6938 122.2272 62.0414 38.8041 178.0726 77 S 4.1922 8.7362 114.1813 63.0337 62.7569 176.6936 78 T 3.9116 8.5651 111.1246 65.0310 68.7700 176.1479 79 F 4.0205 8.3255 123.5458 61.2976 39.3075 177.2923 80 I 3.4877 7.9579 119.3656 64.4358 36.8137 177.9019 81 H 4.3253 8.1069 118.7405 59.5391 29.4913 176.5618 82 G 3.4491 8.2679 108.6673 46.8794 0.0000 175.1479 83 L 3.7303 7.7130 121.7419 56.7687 41.9158 179.9153 84 K 3.9254 7.7423 119.7184 59.4781 32.0440 179.0708 85 K 3.9182 7.9263 117.8335 59.2741 31.9944 179.0036 86 A 4.0784 7.9753 121.0806 53.0589 18.3509 178.7178 87 G 3.8944 7.8323 104.0098 45.5198 0.0000 173.2005 88 I 4.1298 6.9665 111.8024 61.0045 37.8204 177.0611 89 E 4.1926 7.9354 123.4639 57.2425 27.9882 175.6564 90 V 4.0064 7.8590 121.5546 61.7476 33.3256 179.7370 91 D 3.6812 9.2207 115.0336 55.7878 44.5005 170.6854 92 R 3.8332 8.1295 128.8963 55.9671 30.4608 177.4969 93 K 4.2698 8.4032 122.7794 59.4425 32.6951 177.9131 94 N 2.0000 7.5246 116.1559 55.8231 38.1121 175.4664 95 L 4.0481 7.8674 115.5624 55.3108 41.9790 177.0916 96 A 4.6280 7.4252 122.3990 51.7209 18.3375 178.4462 97 D 4.6464 7.5695 119.8905 54.3441 39.9280 177.3472 98 L 4.6182 7.6852 122.3070 57.7729 41.4803 178.6770 99 A 3.4618 7.5393 119.0941 54.8397 17.9634 178.8549 100 V 4.0198 7.0415 114.4156 62.8793 32.6077 176.3987 101 R 4.5017 7.7407 117.8902 55.5511 33.0879 175.2611 102 E 4.1782 9.1419 121.7123 57.6505 25.7644 174.6479 103 P 4.4240 0.0000 0.0000 66.2071 31.0806 177.2827 104 Q 4.1973 8.1542 117.2186 58.9490 28.6303 178.7708 105 V 3.6506 7.8683 118.4715 66.0918 31.4944 177.5528 106 F 4.3182 8.1961 119.5153 61.3120 39.2544 176.6792 107 A 3.9709 8.9066 121.5584 55.4349 18.1871 179.2679 108 E 3.9069 8.9063 118.5035 59.3675 29.5679 178.9953 109 L 4.0436 8.1411 119.3050 57.1777 41.5775 179.5926 110 V 3.6496 7.7307 118.6830 66.0173 31.5089 177.5720 111 E 3.8978 8.0838 118.2190 59.7077 29.2802 179.3270 112 R 3.8583 8.0555 117.4348 59.8405 30.0720 178.4662 113 A 3.8194 8.1341 120.6987 55.0203 18.1721 179.4606 114 K 4.0443 8.3956 116.6239 58.5762 32.9445 178.9684 115 A 4.0622 7.9443 122.9056 55.3136 18.3941 179.4255 116 A 3.9725 8.0589 117.4600 54.0221 18.4088 177.8830 117 Q 4.4000 7.4293 116.7882 55.5393 29.6368 175.5762 118 G 3.7406 8.0585 111.4506 45.9150 0.0000 173.7306 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 P 0.00 4.35 0.00 2.19 2.12 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 3 R 8.36 4.09 0.00 1.87 1.85 0.00 3.17 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 4 A 7.91 4.58 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 5 K 8.04 4.20 0.00 1.87 1.85 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.46 7.81 6 T 8.58 3.96 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 1.19 0.00 0.00 7 G 7.60 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 0.00 0.00 0.00 8 V 8.78 3.84 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 0.80 0.00 0.00 0.92 0.00 0.00 9 V 7.28 3.32 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 0.94 0.00 0.00 0.95 0.00 0.00 10 R 8.06 3.84 0.00 1.86 1.82 0.00 3.16 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 1.37 1.59 0.00 11 R 7.83 3.80 0.00 1.92 1.98 0.00 3.16 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 12 R 7.98 3.89 0.00 1.88 1.98 0.00 3.18 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 13 K 8.08 3.90 0.00 2.07 1.82 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 14 H 8.35 4.37 0.00 3.37 3.30 0.00 5.71 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.62 3.84 0.00 1.90 1.88 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.67 1.62 7.81 16 K 8.23 3.81 0.00 1.94 1.97 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.52 7.81 17 I 7.17 3.72 1.99 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 1.53 0.91 0.86 0.00 0.00 18 L 8.11 4.11 0.00 1.83 1.72 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.04 3.76 0.00 1.81 2.02 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.49 7.81 20 L 7.49 4.11 0.00 1.84 1.76 0.94 0.78 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 21 A 8.17 4.45 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.08 3.86 0.00 1.65 1.64 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.48 7.81 23 G 8.68 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 24 Y 7.27 4.70 0.00 3.11 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 25 W 9.01 4.21 0.00 3.55 2.95 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 26 G 7.59 3.76 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 0.00 27 L 8.54 4.17 0.00 1.76 1.74 0.94 0.88 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 28 R 8.14 4.09 0.00 2.30 2.02 0.00 3.15 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 29 S 7.82 5.02 0.00 3.93 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 30 K 7.98 4.38 0.00 1.72 1.84 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.29 7.81 31 S 8.45 4.63 0.00 3.79 3.81 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 *32 F 8.92 3.97 0.00 2.32 2.31 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 33 R 7.87 4.14 0.00 1.81 1.98 0.00 3.08 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 34 K 8.30 3.92 0.00 2.01 1.85 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.61 7.81 35 A 8.65 4.69 1.44 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 36 R 8.60 3.47 0.00 1.58 1.89 0.00 3.00 0.00 0.00 3.09 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.62 0.00 37 E 7.90 3.74 0.00 2.25 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 2.39 2.37 0.00 38 T 7.80 3.70 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 0.37 0.00 0.00 39 L 8.00 3.98 0.00 1.63 1.75 0.98 1.29 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 40 F 8.04 4.47 0.00 3.19 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 41 A 7.64 3.66 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 42 A 8.15 4.12 1.45 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 0.00 0.00 43 G 8.65 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 44 N 7.88 4.52 0.00 2.61 2.89 0.00 0.00 7.11 7.36 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 45 Y 8.05 4.34 0.00 3.16 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 46 A 8.59 4.06 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 0.00 0.00 0.00 0.00 0.00 47 Y 8.35 4.09 0.00 3.16 3.17 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 48 A 8.55 3.92 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 49 H 8.39 4.55 0.00 3.39 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.04 4.03 0.00 1.75 1.92 0.00 3.11 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 1.66 1.87 0.00 51 K 7.34 4.04 0.00 1.90 1.79 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.70 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.13 1.26 7.81 52 R 7.52 4.18 0.00 1.85 1.91 0.00 3.21 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.97 0.00 53 R 8.10 4.39 0.00 2.01 2.15 0.00 3.34 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.82 0.00 54 K 7.72 4.08 0.00 2.07 1.85 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.53 7.81 55 R 7.71 4.29 0.00 2.00 2.15 0.00 2.95 0.00 0.00 3.51 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.67 0.00 56 D 8.38 4.23 0.00 2.76 2.39 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 57 F 7.65 3.40 0.00 2.25 1.45 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 58 R 7.11 4.02 0.00 1.88 2.06 0.00 3.16 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 1.87 1.72 0.00 59 R 7.34 3.73 0.00 1.88 1.93 0.00 2.97 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 60 L 7.15 3.81 0.00 1.26 1.37 0.96 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 61 W 9.00 4.54 0.00 3.71 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 62 I 8.66 3.57 1.93 0.00 0.00 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 1.35 0.96 0.14 0.00 0.00 63 V 7.93 3.48 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 1.06 0.00 0.00 0.92 0.00 0.00 64 R 7.94 3.92 0.00 2.13 1.97 0.00 3.33 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 65 I 8.21 3.53 2.28 0.00 0.00 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 1.33 1.03 0.97 0.00 0.00 66 N 9.11 4.11 0.00 2.83 2.98 0.00 0.00 7.29 9.28 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 67 A 8.14 4.00 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 68 A 8.16 4.06 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 69 C 8.73 3.65 0.00 2.93 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 70 R 7.84 4.80 0.00 2.27 1.98 0.00 3.52 0.00 0.00 3.29 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 71 Q 7.88 4.06 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.58 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 72 H 7.76 4.76 0.00 3.11 3.26 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.53 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 0.00 0.00 0.00 74 L 7.38 4.91 0.00 1.90 1.78 1.05 0.55 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 75 N 8.35 5.08 0.00 3.11 3.04 0.00 0.00 5.54 7.57 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 76 Y 8.69 4.17 0.00 3.16 3.07 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 77 S 8.74 4.19 0.00 4.13 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 78 T 8.57 3.91 4.29 0.00 0.00 0.00 0.00 0.00 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 79 F 8.33 4.02 0.00 3.08 3.25 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 80 I 7.96 3.49 1.82 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 0.66 -0.05 0.86 0.00 0.00 81 H 8.11 4.33 0.00 3.22 3.47 0.00 5.78 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 82 G 8.27 3.45 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 0.00 0.00 0.00 83 L 7.71 3.73 0.00 1.51 1.59 -0.49 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.74 3.93 0.00 2.04 1.89 0.00 1.52 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.50 7.81 85 K 7.93 3.92 0.00 1.80 1.76 0.00 1.55 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.22 7.81 86 A 7.98 4.08 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 87 G 7.83 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 88 I 6.97 4.13 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.55 0.85 0.00 0.00 89 E 7.94 4.19 0.00 1.92 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 2.29 2.28 0.00 90 V 7.86 4.01 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 0.93 0.00 0.00 0.92 0.00 0.00 91 D 9.22 3.68 0.00 2.95 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 92 R 8.13 3.83 0.00 2.11 2.22 0.00 2.74 0.00 0.00 2.95 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.37 0.00 93 K 8.40 4.27 0.00 2.22 2.27 0.00 1.75 0.00 0.00 1.94 0.00 0.00 3.28 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.85 1.88 7.81 94 N 7.52 2.00 0.00 1.44 2.25 0.00 0.00 7.00 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 95 L 7.87 4.05 0.00 1.90 1.58 0.84 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.43 4.63 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 97 D 7.57 4.65 0.00 2.83 2.93 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 98 L 7.69 4.62 0.00 1.76 1.81 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.54 3.46 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.04 4.02 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 0.88 0.00 0.00 0.88 0.00 0.00 101 R 7.74 4.50 0.00 1.83 1.77 0.00 3.21 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 102 E 9.14 4.18 0.00 2.19 2.20 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 2.26 2.19 0.00 103 P 0.00 4.42 0.00 2.34 2.38 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 104 Q 8.15 4.20 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 105 V 7.87 3.65 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 1.16 0.00 0.00 1.00 0.00 0.00 106 F 8.20 4.32 0.00 3.14 3.26 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 0.00 107 A 8.91 3.97 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 0.00 108 E 8.91 3.91 0.00 2.23 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 2.30 2.50 0.00 109 L 8.14 4.04 0.00 1.97 1.76 1.07 1.02 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 0.00 110 V 7.73 3.65 2.20 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 1.16 0.00 0.00 0.57 0.00 0.00 111 E 8.08 3.90 0.00 2.12 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 2.48 2.48 0.00 112 R 8.06 3.86 0.00 1.99 1.93 0.00 3.24 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 113 A 8.13 3.82 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 0.00 114 K 8.40 4.04 0.00 1.89 1.95 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.80 1.44 7.81 115 A 7.94 4.06 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 0.00 116 A 8.06 3.97 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 0.00 117 Q 7.43 4.40 0.00 1.87 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 118 G 8.06 3.74 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.