NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 T 4.4707 8.1749 110.9451 61.8044 69.7211 174.2260 -4 E 5.3921 8.5825 129.3494 54.3392 30.6538 174.6779 -3 F 4.6785 8.9895 121.3533 57.0866 43.3313 172.4498 -2 K 4.1677 7.7495 127.3633 53.9262 33.8920 176.1753 -1 A 3.7426 8.0022 126.8562 52.2189 19.6680 176.5910 -4 G 5.0021 8.4925 117.9494 42.8392 0.0000 172.9779 -3 S 4.5285 8.9995 116.7533 57.6866 67.5313 171.2498 -2 A 4.1677 7.6995 130.7633 50.2262 19.8920 177.3753 -1 K 3.7426 8.0522 123.4562 55.9189 33.6680 175.3910 5 K 4.0959 8.1325 119.1950 59.5179 32.0961 179.2235 6 G 3.6374 8.1127 105.4162 47.7041 0.0000 175.3050 7 A 2.5800 7.8293 123.2809 54.5443 18.3983 179.5060 8 T 3.9112 7.5692 107.3130 64.1518 69.1290 176.7603 9 L 3.9533 7.7045 123.6717 57.6788 41.8352 178.5821 10 F 4.1119 8.1895 120.7890 61.1743 39.1372 177.0860 11 K 3.9518 7.5162 116.8932 59.8598 32.0208 179.1010 12 T 3.9447 7.7038 108.6643 64.2531 68.5936 175.4725 13 R 4.4143 8.4627 119.2319 55.8944 31.9898 176.3701 14 C 4.3315 9.1096 113.3479 58.7053 30.0114 175.4127 15 L 4.1486 7.1824 123.0208 56.6790 42.0791 178.2664 16 Q 4.0673 7.9818 118.6805 59.1083 29.0225 176.5443 17 C 4.8794 7.6693 109.8468 59.2254 31.2175 173.3735 18 H 5.4770 8.7419 116.3795 54.2250 33.4734 172.3404 19 T 4.8861 8.5718 109.0664 60.4802 71.5876 174.8278 20 V 4.0408 8.5059 115.6679 62.2074 33.1956 176.7354 21 E 3.9025 8.1209 119.2133 56.3343 29.7363 176.1606 22 K 3.8810 8.2971 124.8464 57.6821 32.4643 176.9510 23 G 3.9406 9.0132 115.0075 44.9828 0.0000 173.4348 24 G 3.8326 8.1327 109.0499 43.7538 0.0000 172.1470 25 P 4.5773 0.0000 0.0000 61.7149 32.8031 175.5902 26 H 4.8086 8.3106 116.3510 55.8351 30.4720 176.1836 27 K 4.6185 8.1415 123.2251 55.7996 32.3195 178.4726 28 V 3.6272 8.7292 125.7163 66.7585 31.6202 176.8432 29 G 3.6691 7.9357 107.7542 43.7141 0.0000 170.8898 30 P 4.7213 0.0000 0.0000 60.8079 32.5381 175.3406 31 N 4.7528 8.6892 118.2981 53.6095 38.8711 174.5170 32 L 4.2401 8.5244 124.7893 54.8230 42.1806 175.9305 33 H 3.9743 7.9854 119.9965 57.4283 30.0758 175.1154 34 G 3.8163 8.0607 116.6953 46.7764 0.0000 174.5432 35 I 3.7051 7.4037 120.8164 63.6379 38.5038 176.0390 36 F 5.2180 7.0436 116.7198 58.5304 39.1024 175.7085 37 G 3.9273 8.9010 110.8674 45.9167 0.0000 173.0733 38 R 4.5985 7.7816 120.4503 54.8486 32.3013 175.6228 39 H 5.2436 8.8119 122.1364 54.6332 30.0863 174.9218 40 S 4.3664 8.2109 114.6704 57.7797 64.3730 173.5141 41 G 2.3461 8.0963 105.9644 46.7199 0.0000 174.1726 42 Q 4.4568 7.8134 114.9115 54.8971 30.2196 175.7173 43 A 4.4094 8.8366 123.4256 51.3830 19.4420 177.6230 44 E 4.3576 8.7930 121.3377 56.8530 30.8547 177.8970 45 G 4.1110 9.0386 108.0282 45.3993 0.0000 172.6986 46 Y 4.2134 7.2847 119.0827 55.7742 41.0092 176.4602 47 S 4.4430 6.9591 124.6498 57.4192 61.4738 173.2554 48 Y 4.5640 8.0030 121.3459 57.1226 38.7138 175.4387 49 T 4.3171 8.3848 111.7821 61.5051 70.0130 175.0055 50 D 4.1654 8.6268 120.1774 56.8042 40.8358 178.6901 51 A 3.9955 8.0539 121.2481 55.2634 18.1503 179.0376 52 N 4.2519 7.8124 113.6021 56.8405 39.5573 176.8009 53 I 3.7116 7.2488 120.8175 64.3105 37.0076 178.4766 54 K 3.9387 7.6164 117.2460 59.4151 31.9817 178.7720 55 K 3.8301 7.6543 118.3946 58.8646 32.7758 176.6081 56 N 3.9093 7.3862 113.4418 54.2386 38.0111 174.1487 57 V 3.5008 7.0249 116.5606 62.6393 33.1848 174.6508 58 L 4.4159 7.8425 128.6059 53.3955 43.4327 176.3719 59 W 5.0557 9.8425 127.7602 56.1378 28.9467 174.6488 60 D 5.5858 8.7076 124.2436 50.8637 41.7641 176.8403 61 E 3.6261 8.9503 119.1541 60.2272 28.8831 179.1135 62 N 4.5107 9.6885 118.0481 55.6903 38.6704 177.0398 63 N 4.3346 8.3493 118.0448 57.1082 39.2405 176.2539 64 M 4.2399 8.5325 119.7045 58.9617 32.0365 178.2065 65 S 4.1340 7.7745 112.6802 61.1596 62.3988 175.4289 66 E 3.9536 8.0008 121.8220 58.5741 29.6418 177.7606 67 F 4.2496 8.1502 120.7424 61.6182 39.2361 177.0780 68 L 3.8046 8.0764 118.3187 58.1226 40.8984 179.4570 69 T 4.2257 7.7927 115.9646 65.0132 68.5653 173.9396 70 N 4.3172 7.9199 122.3973 52.4596 40.2720 172.8885 71 P 4.0634 0.0000 0.0000 64.1509 31.7448 178.1209 *73 K 4.2858 7.9690 120.0312 56.6823 33.8407 176.3798 74 Y 4.2526 8.6316 118.9162 60.1833 38.8510 176.0729 75 I 4.4465 10.0181 123.6097 58.3831 38.2971 172.0642 76 P 4.3995 0.0000 0.0000 62.8239 31.9322 175.9043 77 G 4.1106 9.4505 113.3792 46.4154 0.0000 174.6428 78 T 3.9917 7.5191 114.1694 62.3211 67.5868 174.0739 79 K 4.1715 8.7643 126.9670 59.0447 33.2183 177.0472 80 M 4.0193 8.3220 120.4447 56.1969 32.4133 176.6358 81 A 4.5076 8.4047 130.6913 50.2316 17.7294 174.2749 82 F 4.6656 7.9491 120.9009 56.0872 42.5656 174.0066 83 G 3.4477 8.1315 117.9741 48.9048 0.0000 173.6922 84 G 4.0835 5.4199 104.7893 44.6080 0.0000 173.8239 85 L 4.4076 8.3056 121.3528 52.8094 40.8266 176.7109 86 K 4.0165 8.6417 123.9113 59.4644 32.8188 178.6006 87 K 4.3462 7.8195 119.0200 55.1044 33.9686 177.4567 88 E 4.0150 8.7284 124.1098 59.2805 29.6504 179.0090 89 K 3.6967 8.1289 118.1495 59.5921 32.0715 178.8673 90 D 4.3378 7.9765 118.4144 57.3451 40.9628 178.5659 91 R 3.9998 7.9731 118.5365 59.5659 29.9217 178.8871 92 N 4.8375 8.8188 115.4547 56.6910 38.8527 176.7671 93 D 4.5320 7.9419 119.9294 57.4278 40.9844 178.4938 94 L 4.0885 8.1159 120.2791 58.7337 42.1321 179.2168 95 I 4.0181 8.1771 119.4724 64.8411 36.9239 178.5612 96 T 4.0021 8.2614 116.7382 66.6244 68.1854 176.0285 97 Y 4.0248 7.9171 120.8980 60.7100 38.8224 177.8020 98 L 3.6934 8.4884 120.1884 57.6990 41.5307 179.0236 99 K 4.0232 7.9250 118.1946 60.1726 32.3346 178.3689 100 K 3.8901 8.1155 118.2034 59.3351 31.8041 179.0402 101 A 4.0130 7.7769 122.4704 54.9103 18.6222 178.1961 102 T 4.0945 8.4378 107.2020 61.5590 69.2430 174.7263 103 E 4.0793 8.3193 129.1017 56.7412 29.5766 175.8967 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 -5 T 8.17 4.47 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 1.23 0.00 0.00 -4 E 8.58 5.39 0.00 2.08 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 2.25 2.40 0.00 -3 F 8.99 4.68 0.00 2.98 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 -2 K 7.75 4.17 0.00 1.53 1.47 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.23 1.30 7.81 -1 A 8.00 3.74 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 -4 G 8.49 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.00 4.53 0.00 3.73 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 -2 A 7.70 4.17 1.19 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 0.00 0.00 -1 K 8.05 3.74 0.00 1.59 1.50 0.00 0.61 0.00 0.00 1.82 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.35 7.81 5 K 8.13 4.10 0.00 1.87 1.83 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.87 1.59 7.81 6 G 8.11 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 0.00 0.00 0.00 7 A 7.83 2.58 1.25 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 0.00 0.00 8 T 7.57 3.91 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 1.18 0.00 0.00 9 L 7.70 3.95 0.00 2.03 1.87 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.19 4.11 0.00 2.82 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 11 K 7.52 3.95 0.00 1.68 1.85 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.64 7.81 12 T 7.70 3.94 4.21 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 1.19 0.00 0.00 13 R 8.46 4.41 0.00 1.69 1.71 0.00 3.15 0.00 0.00 3.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 14 C 9.11 4.33 0.00 1.23 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 0.00 0.00 0.00 15 L 7.18 4.15 0.00 1.63 1.73 1.16 0.88 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 16 Q 7.98 4.07 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.61 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 17 C 7.67 4.88 0.00 2.79 2.70 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 0.00 0.00 0.00 0.00 18 H 8.74 5.48 0.00 3.26 3.32 0.00 5.56 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.57 4.89 4.64 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 1.28 0.00 0.00 20 V 8.51 4.04 1.84 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 0.15 0.00 0.00 0.83 0.00 0.00 21 E 8.12 3.90 0.00 2.13 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 2.41 2.39 0.00 22 K 8.30 3.88 0.00 0.79 1.25 0.00 1.55 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.38 7.81 23 G 9.01 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.13 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 25 P 0.00 4.58 0.00 2.20 2.06 0.00 3.78 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 1.98 1.99 0.00 26 H 8.31 4.81 0.00 3.30 3.43 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.14 4.62 0.00 1.69 1.16 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.38 7.81 28 V 8.73 3.63 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 0.80 0.00 0.00 0.93 0.00 0.00 29 G 7.94 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 30 P 0.00 4.72 0.00 1.89 1.39 0.00 3.55 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.44 0.00 31 N 8.69 4.75 0.00 2.83 2.64 0.00 0.00 6.95 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 32 L 8.52 4.24 0.00 1.72 1.53 0.85 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 33 H 7.99 3.97 0.00 3.32 3.27 0.00 6.08 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 34 G 8.06 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 35 I 7.40 3.71 1.73 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 0.53 0.74 0.03 0.00 0.00 36 F 7.04 5.22 0.00 3.14 3.03 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 37 G 8.90 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 38 R 7.78 4.60 0.00 2.11 2.07 0.00 3.32 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 39 H 8.81 5.24 0.00 2.96 3.06 0.00 5.99 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.21 4.37 0.00 4.03 3.43 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 41 G 8.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 7.81 4.46 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.22 0.00 43 A 8.84 4.41 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 44 E 8.79 4.36 0.00 2.24 2.16 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 2.43 2.38 0.00 45 G 9.04 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 7.28 4.21 0.00 2.57 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 47 S 6.96 4.44 0.00 3.39 3.53 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 0.00 0.00 0.00 0.00 48 Y 8.00 4.56 0.00 3.07 3.03 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 49 T 8.38 4.32 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 1.37 0.00 0.00 50 D 8.63 4.17 0.00 2.77 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 51 A 8.05 4.00 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 52 N 7.81 4.25 0.00 2.84 3.04 0.00 0.00 7.33 9.23 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 53 I 7.25 3.71 2.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.98 0.88 0.00 0.00 54 K 7.62 3.94 0.00 1.98 1.83 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.46 7.81 55 K 7.65 3.83 0.00 1.91 1.77 0.00 1.75 0.00 0.00 1.42 0.00 0.00 2.54 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.30 1.49 7.81 56 N 7.39 3.91 0.00 3.02 2.66 0.00 0.00 7.26 7.59 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 57 V 7.02 3.50 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 0.50 0.00 0.00 0.55 0.00 0.00 58 L 7.84 4.42 0.00 1.49 1.38 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 59 W 9.84 5.06 0.00 3.43 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 60 D 8.71 5.59 0.00 2.82 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 61 E 8.95 3.63 0.00 1.23 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 1.98 2.20 0.00 62 N 9.69 4.51 0.00 2.89 2.94 0.00 0.00 6.62 6.80 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 63 N 8.35 4.33 0.00 3.07 3.19 0.00 0.00 6.81 7.65 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 64 M 8.53 4.24 0.00 2.49 2.37 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.73 0.00 65 S 7.77 4.13 0.00 3.99 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 66 E 8.00 3.95 0.00 2.02 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 0.00 2.42 2.29 0.00 67 F 8.15 4.25 0.00 2.56 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 68 L 8.08 3.80 0.00 1.96 1.74 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.79 4.23 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 1.23 0.00 0.00 70 N 7.92 4.32 0.00 2.63 2.70 0.00 0.00 7.31 8.68 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 71 P 0.00 4.06 0.00 2.19 1.69 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.68 0.00 *73 K 7.97 4.29 0.00 1.77 2.12 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.59 7.81 74 Y 8.63 4.25 0.00 3.28 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 75 I 10.02 4.45 2.04 0.00 0.00 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 1.27 1.02 0.93 0.00 0.00 76 P 0.00 4.40 0.00 2.06 2.02 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 77 G 9.45 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.52 3.99 4.45 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 1.58 0.00 0.00 79 K 8.76 4.17 0.00 1.98 2.00 0.00 1.74 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.55 1.55 7.81 80 M 8.32 4.02 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.64 0.00 81 A 8.40 4.51 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 82 F 7.95 4.67 0.00 2.94 2.86 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 0.00 0.00 0.00 83 G 8.13 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 84 G 5.42 4.08 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 0.00 85 L 8.31 4.41 0.00 1.75 1.73 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.64 4.02 0.00 1.86 1.95 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.48 7.81 87 K 7.82 4.35 0.00 1.97 1.77 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.49 7.81 88 E 8.73 4.01 0.00 2.07 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 2.41 2.45 0.00 89 K 8.13 3.70 0.00 1.84 1.86 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.54 7.81 90 D 7.98 4.34 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 91 R 7.97 4.00 0.00 2.11 2.10 0.00 3.21 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 92 N 8.82 4.84 0.00 2.90 2.80 0.00 0.00 7.14 7.94 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 93 D 7.94 4.53 0.00 2.90 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 94 L 8.12 4.09 0.00 1.85 1.93 1.22 1.25 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 95 I 8.18 4.02 2.16 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.58 0.22 0.00 0.00 96 T 8.26 4.00 4.44 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 1.32 0.00 0.00 97 Y 7.92 4.02 0.00 3.27 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 98 L 8.49 3.69 0.00 1.95 1.79 1.12 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.93 4.02 0.00 1.56 1.97 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.26 7.81 100 K 8.12 3.89 0.00 1.69 1.70 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.57 7.81 101 A 7.78 4.01 0.51 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 0.00 0.00 102 T 8.44 4.09 4.25 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 1.05 0.00 0.00 103 E 8.32 4.08 0.00 2.10 1.93 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 2.27 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.