NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.2235 8.2544 119.7086 55.7584 30.4619 172.5672 3 V 3.6827 8.7408 120.2702 60.9710 30.9368 170.7102 4 K 4.1659 9.2685 119.8371 61.2790 33.2432 175.6900 5 M 3.5006 6.5025 117.8689 51.9383 33.0864 175.6422 6 H 4.4984 8.4130 115.6868 55.4683 30.7588 173.7557 7 V 3.5809 8.5286 111.8261 65.2698 31.7240 178.5970 8 K 4.2791 7.3121 120.6026 57.7222 33.3371 175.3572 9 K 4.1407 7.0225 114.8573 57.8733 36.0525 176.6432 10 G 4.0501 8.3761 107.0301 46.0196 0.0000 174.1328 11 D 4.8237 9.0664 127.7809 53.3329 38.1258 178.3730 12 T 4.4633 8.5038 115.8884 62.1223 71.3801 172.9820 13 V 4.7555 7.9511 120.6137 59.2766 35.6145 174.4069 14 L 4.9734 9.0281 121.5719 53.9390 45.7625 176.2345 15 V 4.4848 7.8764 123.4648 61.6891 33.6140 175.5985 16 A 4.5699 8.0204 121.3181 50.5395 19.9970 177.3785 17 S 4.9217 8.6988 123.8616 59.6823 62.5427 176.2770 18 G 4.0211 8.9756 107.4518 45.2556 0.0000 174.1883 19 K 3.9023 9.3644 120.7513 57.6770 32.2569 175.3226 20 Y 4.8055 7.5527 112.2766 57.5813 39.9909 174.5679 21 K 4.0897 8.4600 122.6111 57.7636 32.7842 175.2956 22 G 4.2155 9.0152 113.4051 45.8219 0.0000 174.3063 23 R 4.2633 7.5371 116.4035 56.0707 31.5401 176.2408 24 V 4.5172 8.3049 120.2514 61.2876 34.3694 174.6009 25 G 4.3205 8.3303 114.0349 43.2127 0.0000 173.4022 26 K 4.7692 8.4759 124.7253 55.1800 30.4956 179.4124 27 V 3.7917 8.3106 120.6084 63.4191 31.3477 176.2507 28 K 4.4082 8.6463 115.0259 57.1390 34.1459 175.8100 29 E 3.6598 8.5072 116.9566 58.6246 26.6315 174.4245 30 V 3.6345 6.9513 117.9864 61.7379 33.1021 174.1127 31 L 4.2158 7.4564 124.3635 54.4190 42.1051 175.2683 32 P 4.9498 0.0000 0.0000 62.5702 32.4375 177.0375 33 K 3.9597 8.3061 120.5516 59.5616 31.8951 177.4837 34 K 4.2426 7.9895 116.2463 55.4485 33.2094 174.5236 35 Y 3.3344 8.4025 118.5348 58.3970 36.7778 167.4030 36 A 5.3435 7.0666 123.6415 51.4090 23.4322 175.5128 37 V 4.8763 7.5912 113.1062 60.8408 33.6981 174.9462 38 I 4.6019 8.2616 118.1897 63.5323 44.9473 176.6663 39 V 3.4385 7.3431 116.4908 62.9682 31.0079 174.2087 40 E 4.7292 8.7778 112.8365 55.8396 35.2364 176.1044 41 G 3.3163 8.5167 106.0085 46.7298 0.0000 176.1319 42 V 3.2353 7.6829 118.9641 62.7334 32.6555 175.3357 43 N 5.4744 8.7723 118.3366 54.8869 42.4269 174.4084 44 I 3.3503 6.8353 118.5435 57.9739 38.3402 175.1767 45 V 4.9585 8.0810 122.3573 62.6654 33.1521 177.3407 46 K 4.7172 8.0905 122.9737 55.7429 32.2447 178.3602 47 K 3.4133 8.5609 126.1929 57.6307 36.3912 174.9391 48 A 3.6677 7.7005 121.9730 52.9413 18.1557 176.9785 49 V 4.0645 8.4625 121.1741 62.4923 31.9666 176.4483 50 R 4.2407 7.8447 112.6955 56.0581 28.7005 175.9686 51 V 3.6013 8.1156 119.1969 66.0720 30.9428 176.3542 52 S 4.4212 7.9991 110.5997 57.7561 63.1507 174.6597 53 P 4.0457 0.0000 0.0000 65.3469 30.0362 176.9493 54 K 3.5212 8.9302 121.1658 57.0940 32.2810 172.1591 55 Y 3.5147 7.5934 131.7347 57.3752 37.8919 169.1258 56 P 4.0773 0.0000 0.0000 61.2487 34.4700 180.1109 57 Q 4.8080 8.6972 129.7076 56.8170 29.2794 175.6846 58 G 4.0388 8.6717 105.7095 45.5984 0.0000 173.1779 59 G 4.0332 8.5427 107.9199 45.9307 0.0000 173.6091 60 F 5.2540 8.5244 119.0313 56.1782 40.6320 175.9697 61 I 3.9632 8.0940 122.7461 63.2500 37.5434 176.7255 62 E 4.1233 8.3561 114.9460 56.0663 27.9678 173.3783 63 K 4.7512 7.9167 117.5321 54.2343 34.8563 176.0381 64 E 4.5043 8.4849 119.2900 56.8858 29.9074 176.6197 65 A 4.6265 8.7148 124.7399 49.7706 20.2988 174.7234 66 P 4.0201 0.0000 0.0000 62.3123 32.0003 172.4643 67 L 3.7203 7.5591 122.9866 55.4153 43.2213 172.4397 68 H 4.8212 8.3034 116.5531 55.3640 29.2827 176.2230 69 A 4.4906 8.4871 112.7599 52.8872 23.1864 178.0569 70 S 3.9570 8.0258 109.2344 60.8525 63.1824 175.0368 71 K 4.1698 8.3170 119.7748 58.9422 32.6663 177.3506 72 V 4.8240 7.2796 110.8056 59.6266 34.3412 175.9063 73 R 4.8389 9.2076 122.1028 53.6374 34.0147 173.7778 74 P 4.7910 0.0000 0.0000 63.1813 33.1257 174.5882 75 I 4.7680 7.3449 117.6850 60.4981 41.3813 173.1933 76 C 4.5784 8.9904 124.8378 59.6028 33.8955 171.5584 77 P 4.1294 0.0000 0.0000 62.7057 29.9258 174.9640 78 A 4.3305 6.8949 131.8511 52.2695 23.2637 180.6808 79 C 4.6302 9.3147 115.4148 61.3139 31.8262 174.2997 80 G 4.3196 8.8722 118.2759 44.8276 0.0000 174.5990 81 K 3.5139 9.2059 120.0994 55.4547 31.3580 173.3122 82 P 4.4526 0.0000 0.0000 63.0100 31.1104 175.8551 83 T 4.5672 8.0256 109.5770 61.2511 69.9861 173.3369 84 R 4.5004 8.3277 132.7124 56.0972 33.1816 175.4186 85 V 4.7026 8.1664 120.7175 63.0228 35.5619 174.8596 86 R 4.7544 9.2062 122.6353 54.8017 33.5770 176.1423 87 K 3.8708 8.8826 122.0448 59.6304 32.6103 179.3578 88 K 3.9093 8.4975 116.2920 55.3125 30.0395 175.7632 89 F 4.6526 7.9067 119.5168 58.2760 38.3098 174.8550 90 L 4.9054 6.8697 126.8337 55.6171 43.9685 173.5480 91 E 4.6447 7.6001 115.7731 55.2701 29.4548 177.9658 92 N 4.8724 8.1194 127.3023 54.5980 41.2496 172.0598 93 G 4.2474 8.2634 114.0873 44.2962 0.0000 170.9503 94 K 5.1392 8.3257 118.3454 54.2395 34.3250 176.0553 95 K 4.4169 8.3455 126.2650 54.9820 34.7818 176.5156 96 I 4.5423 8.2068 121.8979 62.3831 36.9503 179.0808 97 R 4.3016 8.3317 120.9708 55.9124 28.8185 173.7733 98 V 3.3343 8.5488 121.2911 61.8859 30.2795 170.1941 99 C 4.5277 6.6020 129.4610 58.5319 36.0096 177.6488 100 A 4.0436 9.2238 131.9905 55.1216 22.6938 176.3042 101 K 3.2098 8.6863 116.0032 58.6803 32.5207 176.0085 *102 C 4.3630 8.3055 116.4284 57.9704 28.5244 172.5454 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 R 8.25 4.22 0.00 1.82 1.98 0.00 3.30 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 3 V 8.74 3.68 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 0.73 0.00 0.00 0.93 0.00 0.00 4 K 9.27 4.17 0.00 1.92 1.97 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.56 1.54 7.81 5 M 6.50 3.50 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 6 H 8.41 4.50 0.00 3.28 3.42 0.00 5.56 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.53 3.58 2.02 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 0.72 0.00 0.00 0.91 0.00 0.00 8 K 7.31 4.28 0.00 1.58 1.70 0.00 1.63 0.00 0.00 1.59 0.00 0.00 3.22 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.41 7.81 9 K 7.02 4.14 0.00 1.99 1.97 0.00 1.29 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.21 1.14 7.81 10 G 8.38 4.05 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 0.00 0.00 0.00 11 D 9.07 4.82 0.00 2.76 2.42 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 12 T 8.50 4.46 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 1.20 0.00 0.00 13 V 7.95 4.76 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 0.77 0.00 0.00 0.91 0.00 0.00 14 L 9.03 4.97 0.00 1.66 1.55 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.88 4.48 2.23 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 0.90 0.00 0.00 1.03 0.00 0.00 16 A 8.02 4.57 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 17 S 8.70 4.92 0.00 3.91 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 18 G 8.98 4.02 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 0.00 0.00 0.00 19 K 9.36 3.90 0.00 1.58 1.57 0.00 0.85 0.00 0.00 1.26 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.96 1.25 7.81 20 Y 7.55 4.81 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 21 K 8.46 4.09 0.00 1.67 1.88 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.45 7.81 22 G 9.02 4.22 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 0.00 23 R 7.54 4.26 0.00 1.95 1.92 0.00 3.22 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 24 V 8.30 4.52 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 0.86 0.00 0.00 0.94 0.00 0.00 25 G 8.33 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 0.00 0.00 0.00 0.00 26 K 8.48 4.77 0.00 1.71 0.93 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.46 7.81 27 V 8.31 3.79 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 1.02 0.00 0.00 0.96 0.00 0.00 28 K 8.65 4.41 0.00 1.83 1.84 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.32 7.81 29 E 8.51 3.66 0.00 2.01 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 2.23 2.32 0.00 30 V 6.95 3.63 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 0.75 0.00 0.00 0.86 0.00 0.00 31 L 7.46 4.22 0.00 1.65 1.54 0.92 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.95 0.00 2.05 2.18 0.00 3.73 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 1.95 1.94 0.00 33 K 8.31 3.96 0.00 1.78 1.95 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.46 7.81 34 K 7.99 4.24 0.00 1.73 1.84 0.00 1.94 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.44 7.81 35 Y 8.40 3.33 0.00 3.03 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 36 A 7.07 5.34 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 37 V 7.59 4.88 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 0.65 0.00 0.00 1.02 0.00 0.00 38 I 8.26 4.60 1.84 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 1.41 0.59 0.88 0.00 0.00 39 V 7.34 3.44 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 1.11 0.00 0.00 0.89 0.00 0.00 40 E 8.78 4.73 0.00 1.92 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 0.00 2.19 2.24 0.00 41 G 8.52 3.32 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 0.00 42 V 7.68 3.24 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 1.45 0.00 0.00 0.66 0.00 0.00 43 N 8.77 5.47 0.00 2.70 2.76 0.00 0.00 7.35 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 44 I 6.84 3.35 1.91 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 1.38 0.52 0.96 0.00 0.00 45 V 8.08 4.96 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 1.37 0.00 0.00 1.02 0.00 0.00 46 K 8.09 4.72 0.00 1.87 1.00 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.37 7.81 47 K 8.56 3.41 0.00 1.70 1.90 0.00 1.39 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.23 1.42 7.81 48 A 7.70 3.67 1.17 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 0.00 0.00 49 V 8.46 4.06 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 0.85 0.00 0.00 0.92 0.00 0.00 50 R 7.84 4.24 0.00 1.85 2.12 0.00 3.58 0.00 0.00 2.99 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.64 0.00 51 V 8.12 3.60 2.02 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 0.78 0.00 0.00 0.90 0.00 0.00 52 S 8.00 4.42 0.00 3.92 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 53 P 0.00 4.05 0.00 2.03 2.26 0.00 3.68 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.39 0.00 54 K 8.93 3.52 0.00 1.47 0.84 0.00 1.85 0.00 0.00 1.54 0.00 0.00 3.43 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.16 1.25 7.81 55 Y 7.59 3.51 0.00 3.26 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 56 P 0.00 4.08 0.00 2.31 1.32 0.00 3.71 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 2.12 2.17 0.00 57 Q 8.70 4.81 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 58 G 8.67 4.04 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 0.00 0.00 0.00 59 G 8.54 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 0.00 0.00 0.00 60 F 8.52 5.25 0.00 3.06 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 61 I 8.09 3.96 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.81 0.94 0.00 0.00 62 E 8.36 4.12 0.00 2.27 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 0.00 2.42 2.36 0.00 63 K 7.92 4.75 0.00 1.78 1.68 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.41 7.81 64 E 8.48 4.50 0.00 1.88 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 2.26 2.33 0.00 65 A 8.71 4.63 1.13 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 0.00 0.00 66 P 0.00 4.02 0.00 2.06 2.03 0.00 3.81 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 2.04 2.10 0.00 67 L 7.56 3.72 0.00 2.04 1.86 0.93 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.30 4.82 0.00 3.23 3.03 0.00 5.66 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 69 A 8.49 4.49 1.01 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 0.00 0.00 70 S 8.03 3.96 0.00 3.88 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 71 K 8.32 4.17 0.00 1.76 1.91 0.00 1.76 0.00 0.00 1.90 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.64 1.60 7.81 72 V 7.28 4.82 2.23 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 0.67 0.00 0.00 0.90 0.00 0.00 73 R 9.21 4.84 0.00 1.66 1.77 0.00 3.13 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 74 P 0.00 4.79 0.00 2.10 2.15 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 75 I 7.34 4.77 1.94 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.63 0.97 0.00 0.00 76 C 8.99 4.58 0.00 2.92 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 77 P 0.00 4.13 0.00 2.15 2.18 0.00 3.80 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 1.95 2.06 0.00 78 A 6.89 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 C 9.31 4.63 0.00 3.03 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 80 G 8.87 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 0.00 0.00 0.00 0.00 81 K 9.21 3.51 0.00 1.86 1.77 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.44 7.81 82 P 0.00 4.45 0.00 2.04 2.08 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 83 T 8.03 4.57 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 1.20 0.00 0.00 84 R 8.33 4.50 0.00 1.84 1.88 0.00 3.09 0.00 0.00 3.10 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 85 V 8.17 4.70 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 0.87 0.00 0.00 0.94 0.00 0.00 86 R 9.21 4.75 0.00 1.83 1.69 0.00 3.14 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 87 K 8.88 3.87 0.00 2.08 2.10 0.00 1.63 0.00 0.00 2.10 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.50 7.81 88 K 8.50 3.91 0.00 2.10 2.04 0.00 1.72 0.00 0.00 2.00 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.49 7.81 89 F 7.91 4.65 0.00 2.93 3.11 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 90 L 6.87 4.91 0.00 1.70 1.73 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.60 4.64 0.00 1.93 1.12 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 2.21 2.22 0.00 92 N 8.12 4.87 0.00 2.69 2.69 0.00 0.00 7.16 7.98 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 93 G 8.26 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 0.00 0.00 0.00 0.00 94 K 8.33 5.14 0.00 1.81 1.82 0.00 1.17 0.00 0.00 0.61 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.28 1.26 7.81 95 K 8.35 4.42 0.00 1.73 1.80 0.00 1.62 0.00 0.00 1.95 0.00 0.00 2.85 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.46 7.81 96 I 8.21 4.54 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.73 0.94 0.00 0.00 97 R 8.33 4.30 0.00 1.72 1.83 0.00 3.37 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 98 V 8.55 3.33 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 0.81 0.00 0.00 0.93 0.00 0.00 99 C 6.60 4.53 0.00 2.94 1.86 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 0.00 100 A 9.22 4.04 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 0.00 101 K 8.69 3.21 0.00 1.79 1.77 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.41 7.81 *102 C 8.31 4.36 0.00 2.74 2.73 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 * Residues marked with a * may have inaccurate shift predictions.