NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.7147 8.1927 115.4444 57.8162 64.4113 172.5686 3 Q 3.7222 8.7912 124.4469 56.8118 29.3055 175.4988 4 F 4.1886 9.8101 123.9639 58.3100 38.3230 174.0936 5 T 4.4972 7.7108 118.3199 63.0793 69.8079 173.5244 6 L 4.7387 8.5156 127.8868 54.5739 43.6127 174.9802 7 Y 5.1259 9.0273 123.6290 55.8140 41.9011 175.0285 8 K 4.3757 9.2010 124.8944 56.3195 33.8257 175.4603 9 N 4.7590 8.3236 126.3167 53.2271 38.6845 174.9409 10 K 4.2202 9.1802 126.4181 57.3411 33.2538 177.1702 11 D 4.5228 8.6994 121.3642 53.3050 40.4331 176.6114 12 K 4.0085 8.6837 127.7315 59.4367 32.5083 179.0566 13 S 4.2626 8.2618 112.6377 61.3207 63.0022 175.4405 14 S 4.4892 8.1836 113.8600 58.3793 63.3293 175.7517 15 A 4.3372 7.7538 123.9173 54.3143 18.5031 180.0271 16 K 3.9670 8.0524 114.8863 59.8902 32.1181 178.5180 17 T 3.9321 7.7754 114.9464 65.5755 68.6619 173.5244 18 Y 5.5051 8.2018 118.9675 54.1462 38.0918 173.9758 19 P 4.2215 0.0000 0.0000 64.5330 33.0707 176.4952 20 Y 5.0336 7.4407 116.0950 56.1253 42.8426 174.0448 21 F 5.4521 9.2939 119.4995 55.8769 43.2007 174.3999 22 V 4.6530 8.8395 123.2542 61.4469 33.0541 174.4201 23 D 4.7342 9.2056 129.2054 54.2617 42.0297 176.5312 24 V 4.2606 8.4791 118.1226 61.0025 32.9625 175.6988 25 Q 4.1314 8.2892 122.1014 54.8834 29.9087 175.6766 26 S 4.1136 8.4197 118.0336 58.4979 63.0412 175.0712 27 D 4.6773 8.6235 126.1976 56.7170 40.8156 178.5948 28 L 4.0846 7.7094 117.8528 56.8145 41.8518 177.7752 29 L 4.6017 7.9054 117.6644 54.6826 41.8687 176.9931 30 D 4.6071 7.8733 117.8962 54.7924 40.7109 177.6861 31 N 4.6207 7.9241 116.4507 54.3691 39.0236 175.5080 32 L 4.1505 7.4526 118.4237 55.0356 42.3194 176.7966 33 N 4.7892 8.5798 116.6371 54.3114 39.5036 174.6261 34 T 5.0970 7.6641 108.1944 59.7254 72.4853 173.2969 35 R 4.6451 8.6973 122.1588 54.3485 33.7068 173.7868 36 L 4.4711 9.1428 129.4919 55.2820 43.1689 176.0646 37 V 4.9558 9.0310 118.8374 59.7851 36.7434 174.1854 38 I 4.8188 8.6192 124.0957 58.8875 39.2434 173.7727 39 P 5.1075 0.0000 0.0000 62.8922 33.0611 174.9609 40 L 5.2379 8.8107 121.8104 53.4158 44.2965 175.3083 41 T 5.1607 8.5243 117.3168 58.4776 70.7401 171.4783 42 P 4.7586 0.0000 0.0000 62.3904 32.0423 177.5857 43 I 3.7036 8.2006 117.2310 63.9588 37.5681 177.4704 44 E 4.0256 8.0969 119.4440 58.8342 29.5516 178.0352 45 L 4.1023 7.7154 118.0938 56.7745 42.3583 177.5220 *54 L 4.6238 7.7505 117.7379 54.7276 43.8200 176.4495 55 C 5.8025 7.9288 114.3780 56.0140 27.6413 172.2128 56 P 4.5256 0.0000 0.0000 62.8757 32.9764 176.4462 57 T 4.8156 8.4034 118.3073 63.0986 69.4609 174.1944 58 I 4.6439 8.9479 119.5267 59.3018 41.1439 174.2611 59 H 5.3336 9.0152 121.1001 54.3095 31.0201 172.8158 60 I 4.7762 8.6739 116.4966 58.3689 40.6783 176.1263 61 D 4.4052 8.7701 119.5942 57.5063 40.5164 177.9845 62 E 4.2419 8.3585 115.9710 57.0292 30.3876 176.9451 63 G 3.5307 6.6697 106.0487 44.3579 0.0000 170.7874 64 D 5.1843 7.6117 120.2991 52.5070 43.6995 175.5233 65 F 5.3498 8.9606 121.3070 55.7681 44.1726 173.6982 66 I 4.6206 8.8386 122.6694 60.5359 38.9568 174.8961 67 M 4.2817 9.0139 128.0192 54.5934 32.7106 176.0391 68 L 4.8299 8.5815 131.4379 53.2542 40.7246 177.8155 69 T 3.9172 7.9510 119.1454 66.6230 69.0663 176.6981 70 Q 4.1721 8.1142 117.2120 58.1035 28.9207 176.4774 71 Q 4.5044 8.0125 117.5131 55.7062 28.9554 175.0356 72 M 4.2356 7.4665 118.2304 57.1185 32.7396 175.3409 73 T 4.4939 8.7131 118.1765 61.2612 71.7748 171.6736 74 S 4.9846 8.4007 119.7714 57.3086 63.5630 173.4744 75 V 4.4886 8.3183 119.0951 58.4840 36.0304 173.5403 76 P 4.6621 0.0000 0.0000 62.3165 32.0717 178.2957 77 V 3.5157 8.4179 122.2081 64.6924 31.2827 178.1955 78 K 4.1500 7.9492 117.7712 57.7643 32.0875 177.0975 79 I 4.2690 7.7600 112.6900 60.5541 37.9670 174.5810 80 L 5.1051 7.5935 122.0475 53.6231 42.7297 177.0683 81 S 4.5694 8.6920 121.3310 58.4646 64.3196 174.1081 82 E 4.4665 8.7179 117.5021 55.6589 30.3883 171.6309 83 P 3.9525 0.0000 0.0000 64.1678 31.8316 176.9407 84 V 4.1874 8.0535 115.3038 62.4666 33.4575 175.3896 85 N 4.5556 7.3578 115.1988 52.6829 41.4672 172.1699 86 E 4.7090 8.6166 122.7371 54.8263 30.6539 175.3244 87 L 4.9310 8.6259 126.1087 54.7359 42.4273 178.8844 88 S 4.1698 8.2619 118.4601 61.6179 62.9084 176.9945 89 T 3.7613 7.9559 109.5406 64.2533 68.6226 175.3103 90 F 4.4806 8.3686 120.0055 57.2931 38.8574 177.5543 91 R 3.0276 7.5964 119.1968 59.2986 28.7964 178.6619 92 N 4.2835 7.8641 116.6015 55.7366 38.6636 176.8789 93 E 3.9400 8.0799 120.4234 59.2148 29.7449 178.8414 94 I 3.7945 8.0920 120.0865 64.6217 37.1953 178.5405 95 I 3.7987 8.0956 120.6194 64.3054 36.8531 178.3796 96 A 4.0346 8.4342 121.7765 55.0262 18.1426 179.5922 97 A 4.0619 8.2299 119.3054 55.4270 18.6319 179.9485 98 I 3.7227 8.0873 118.4828 64.7072 37.2032 178.4215 99 D 4.4398 8.5931 120.1586 57.2658 40.5267 178.6720 100 F 4.5590 8.5033 122.6532 60.7964 39.2142 176.8759 101 L 3.7379 8.0180 118.8875 57.9382 41.8828 178.3600 102 I 4.0860 7.5483 118.1649 62.8110 37.7292 177.2159 103 T 4.4557 8.4676 108.4757 60.6484 70.0104 175.7416 104 G 3.7337 8.1249 109.2546 45.4880 0.0000 173.6454 105 I 4.2237 7.8597 126.2550 61.3734 37.4728 175.3405 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 S 8.19 4.71 0.00 4.06 4.13 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 3 Q 8.79 3.72 0.00 1.90 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.15 0.00 0.00 0.00 0.00 0.00 1.16 1.68 0.00 4 F 9.81 4.19 0.00 3.35 3.24 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 5 T 7.71 4.50 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 0.60 0.00 0.00 6 L 8.52 4.74 0.00 1.60 1.51 0.71 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 9.03 5.13 0.00 3.11 2.92 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 8 K 9.20 4.38 0.00 2.00 1.70 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.43 1.26 7.81 9 N 8.32 4.76 0.00 1.82 2.52 0.00 0.00 7.21 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 9.18 4.22 0.00 1.77 1.85 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.61 7.81 11 D 8.70 4.52 0.00 2.83 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 12 K 8.68 4.01 0.00 1.79 1.86 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.43 7.81 13 S 8.26 4.26 0.00 4.00 4.01 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 14 S 8.18 4.49 0.00 4.32 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 15 A 7.75 4.34 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 16 K 8.05 3.97 0.00 1.97 1.84 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.03 7.81 17 T 7.78 3.93 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 0.27 0.00 0.00 18 Y 8.20 5.51 0.00 2.90 2.64 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 19 P 0.00 4.22 0.00 1.59 2.21 0.00 4.12 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.04 0.00 20 Y 7.44 5.03 0.00 2.45 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 21 F 9.29 5.45 0.00 3.07 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 22 V 8.84 4.65 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 1.13 0.00 0.00 0.91 0.00 0.00 23 D 9.21 4.73 0.00 3.10 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 24 V 8.48 4.26 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 0.81 0.00 0.00 0.95 0.00 0.00 25 Q 8.29 4.13 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.23 0.00 26 S 8.42 4.11 0.00 3.86 3.69 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 27 D 8.62 4.68 0.00 2.73 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 28 L 7.71 4.08 0.00 1.66 1.73 0.92 0.72 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 29 L 7.91 4.60 0.00 1.77 1.60 0.89 0.85 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 30 D 7.87 4.61 0.00 2.67 2.64 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 31 N 7.92 4.62 0.00 2.69 2.84 0.00 0.00 7.05 7.85 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 32 L 7.45 4.15 0.00 1.61 1.56 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.58 4.79 0.00 2.61 2.80 0.00 0.00 6.36 7.05 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 34 T 7.66 5.10 4.15 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 1.15 0.00 0.00 35 R 8.70 4.65 0.00 1.72 1.56 0.00 3.43 0.00 0.00 3.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.49 0.00 36 L 9.14 4.47 0.00 1.74 1.46 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 37 V 9.03 4.96 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 0.53 0.00 0.00 0.41 0.00 0.00 38 I 8.62 4.82 1.94 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 1.33 0.87 1.01 0.00 0.00 39 P 0.00 5.11 0.00 2.33 2.23 0.00 3.63 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 40 L 8.81 5.24 0.00 1.37 1.41 0.38 0.52 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 41 T 8.52 5.16 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 1.28 0.00 0.00 42 P 0.00 4.76 0.00 2.08 1.85 0.00 3.67 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.25 0.00 43 I 8.20 3.70 1.83 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 1.32 0.45 0.85 0.00 0.00 44 E 8.10 4.03 0.00 1.91 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 2.27 2.36 0.00 45 L 7.72 4.10 0.00 1.70 1.65 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 *54 L 7.75 4.62 0.00 2.02 1.91 1.05 0.90 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 55 C 7.93 5.80 0.00 2.90 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 56 P 0.00 4.53 0.00 2.24 2.27 0.00 3.60 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 2.12 2.16 0.00 57 T 8.40 4.82 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 1.14 0.00 0.00 58 I 8.95 4.64 1.37 0.00 0.00 0.49 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 0.69 0.71 0.00 0.00 59 H 9.02 5.33 0.00 3.07 3.30 0.00 5.83 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.67 4.78 1.86 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.12 0.85 0.00 0.00 61 D 8.77 4.41 0.00 2.68 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 62 E 8.36 4.24 0.00 1.71 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 1.80 2.30 0.00 63 G 6.67 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 0.00 0.00 0.00 64 D 7.61 5.18 0.00 2.36 2.45 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 65 F 8.96 5.35 0.00 2.87 2.87 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 0.00 0.00 0.00 0.00 66 I 8.84 4.62 1.95 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 1.15 0.93 1.02 0.00 0.00 67 M 9.01 4.28 0.00 2.22 1.95 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 68 L 8.58 4.83 0.00 1.98 1.71 1.20 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.95 3.92 4.39 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 1.28 0.00 0.00 70 Q 8.11 4.17 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.38 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 71 Q 8.01 4.50 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 72 M 7.47 4.24 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.50 0.00 73 T 8.71 4.49 4.16 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 1.05 0.00 0.00 74 S 8.40 4.98 0.00 3.84 3.65 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 0.00 0.00 0.00 0.00 75 V 8.32 4.49 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 0.22 0.00 0.00 0.45 0.00 0.00 76 P 0.00 4.66 0.00 2.12 1.91 0.00 3.51 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 2.07 2.02 0.00 77 V 8.42 3.52 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 0.75 0.00 0.00 0.81 0.00 0.00 78 K 7.95 4.15 0.00 1.74 1.89 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.39 7.81 79 I 7.76 4.27 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.30 0.92 0.00 0.00 80 L 7.59 5.11 0.00 1.37 1.20 0.36 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.69 4.57 0.00 4.00 4.01 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 82 E 8.72 4.47 0.00 1.78 1.79 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 2.23 1.91 0.00 83 P 0.00 3.95 0.00 2.01 1.90 0.00 3.70 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 2.09 2.26 0.00 84 V 8.05 4.19 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 0.82 0.00 0.00 0.97 0.00 0.00 85 N 7.36 4.56 0.00 2.69 2.47 0.00 0.00 6.75 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 86 E 8.62 4.71 0.00 1.93 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 0.00 2.23 2.40 0.00 87 L 8.63 4.93 0.00 1.97 1.70 0.70 0.64 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 88 S 8.26 4.17 0.00 3.94 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 89 T 7.96 3.76 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 1.15 0.00 0.00 90 F 8.37 4.48 0.00 3.18 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 91 R 7.60 3.03 0.00 0.67 0.98 0.00 2.59 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.42 0.00 92 N 7.86 4.28 0.00 2.69 2.86 0.00 0.00 6.77 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 93 E 8.08 3.94 0.00 2.08 2.24 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 2.47 2.46 0.00 94 I 8.09 3.79 2.08 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.63 1.16 0.00 0.00 95 I 8.10 3.80 1.91 0.00 0.00 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 1.80 1.11 1.01 0.00 0.00 96 A 8.43 4.03 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 97 A 8.23 4.06 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.09 3.72 2.07 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 1.58 1.31 0.95 0.00 0.00 99 D 8.59 4.44 0.00 2.94 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 0.00 100 F 8.50 4.56 0.00 3.15 3.28 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 0.00 101 L 8.02 3.74 0.00 1.76 1.90 0.88 0.97 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 0.00 102 I 7.55 4.09 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.69 0.91 0.00 0.00 103 T 8.47 4.46 4.26 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 1.25 0.00 0.00 104 G 8.12 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 7.86 4.22 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.55 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.