NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 C 4.6723 8.4549 118.1629 56.3746 40.1341 173.2657 5 K 4.1631 8.2361 120.5629 55.0528 32.6412 174.8707 6 E 3.7760 8.5275 122.5298 59.2774 30.6264 177.3994 7 D 4.9305 8.0961 116.0727 52.9225 39.8522 174.9144 8 E 5.3531 8.7284 118.5949 55.1517 32.8331 174.7705 9 Y 4.8504 9.1591 120.6184 54.3714 40.5567 173.3604 10 P 4.5202 0.0000 0.0000 62.7855 32.6523 177.0422 11 V 4.0816 8.8381 124.2037 61.6552 33.1393 174.3979 12 G 3.9855 8.4192 117.6114 46.7507 0.0000 173.7351 13 S 4.4799 8.2865 118.1410 58.7971 63.7215 173.8484 14 E 4.5948 7.5036 119.2962 55.2567 31.4508 174.8574 15 C 4.9964 8.4246 119.1416 56.3060 38.6966 173.6337 16 C 4.9839 8.0457 115.1049 54.8886 44.8449 172.0923 17 P 4.8151 0.0000 0.0000 63.0235 31.3606 176.4894 18 K 4.3383 8.4071 123.7512 56.1429 34.5715 175.7307 19 C 4.5843 8.8086 119.1530 56.9539 42.2144 173.1503 20 S 5.0287 8.2342 115.5881 56.3325 64.9332 172.2678 21 P 4.5572 0.0000 0.0000 64.6842 31.6681 177.2034 22 G 3.9051 9.2696 109.6994 45.4319 0.0000 172.2841 23 Y 5.2305 7.8181 115.9915 55.9477 41.5337 174.6903 24 R 4.7693 9.0864 117.3208 54.1041 33.3997 174.8225 25 V 3.8951 8.4159 120.9742 63.1980 32.0051 176.2761 26 K 4.4375 8.8323 127.7890 57.1363 34.7748 175.6321 27 E 4.8432 7.8247 118.3761 54.7005 32.9336 174.5170 28 A 4.8832 8.9178 127.6225 49.9765 19.4234 178.4205 29 C 4.9870 8.3387 109.2275 53.2790 38.9300 174.8798 30 G 4.0808 8.4615 107.7616 44.8550 0.0000 172.5067 31 E 3.7561 8.9975 121.1599 58.8166 29.3001 178.0124 32 L 4.5909 7.8100 113.0463 54.4197 43.2387 175.7990 33 T 4.3743 7.2269 113.4905 60.5098 69.4749 172.4688 34 G 4.2635 7.9928 109.6928 44.1499 0.0000 172.3782 35 T 4.4924 8.3340 116.5204 63.3266 69.4174 175.3093 36 V 3.9702 8.5678 126.8540 62.4399 32.0417 174.3335 37 C 5.2105 8.5748 125.4346 55.9111 40.3846 172.9512 38 E 5.0337 9.2365 121.6305 53.7056 32.9440 173.3234 39 P 4.3673 0.0000 0.0000 62.4901 32.2112 176.9429 40 C 4.4690 8.6843 120.4857 56.4671 41.5965 172.4519 41 P 4.5204 0.0000 0.0000 61.3617 31.8020 174.2468 42 P 4.3581 0.0000 0.0000 64.6090 31.8685 176.5054 43 G 4.0221 9.2184 110.2724 44.9553 0.0000 172.8527 44 T 5.5430 7.4330 108.8943 60.0772 71.6928 172.5444 45 Y 4.8023 7.6886 117.7581 57.2510 41.2394 172.9981 46 I 4.2335 8.6623 117.5043 60.5092 42.0827 175.3643 47 A 4.6970 8.9952 128.5101 52.1621 19.4268 174.8155 48 H 5.0451 7.7152 113.0409 54.1400 33.6062 173.0861 49 L 4.1880 8.6519 119.4869 55.6608 41.7665 176.5498 50 N 4.8925 8.9457 122.8708 51.8860 41.2926 174.9560 51 G 3.8682 8.5347 109.0683 45.5583 0.0000 172.0953 52 L 4.7000 8.3497 121.2264 52.8744 43.8562 176.7893 53 S 4.7929 8.6484 112.1748 57.5630 62.9671 173.6185 54 K 4.5130 7.4507 118.2896 56.4908 35.0747 175.2879 55 C 4.9445 8.2140 117.0144 55.4035 43.7800 173.1746 56 L 4.5836 7.9996 119.1953 54.1460 43.1539 176.3765 57 Q 4.6391 8.4089 120.1596 55.7757 29.6683 176.4276 58 C 4.8804 9.2297 122.0127 56.9761 40.7824 173.8156 59 Q 4.3019 9.3749 124.8270 56.2406 29.4053 174.8789 60 M 4.7805 8.2325 120.1627 53.6511 35.4860 176.5044 61 C 4.6273 8.3607 118.2190 54.7399 35.5842 172.7434 62 D 4.3602 8.5722 124.8620 53.6774 40.7021 175.5943 63 P 4.2357 0.0000 0.0000 65.6256 31.0187 177.3657 64 A 3.7933 7.4227 119.5657 56.1030 19.1716 178.6258 65 M 3.9555 8.1651 109.1719 55.7958 32.6638 177.7985 66 G 4.3021 9.0596 107.6350 45.8492 0.0000 172.9307 67 L 5.0361 7.5343 118.9466 52.9758 43.3074 176.3549 68 R 4.5680 8.5997 123.0466 54.1338 33.4301 173.8908 69 A 4.3647 8.9061 127.6574 53.2718 18.1314 177.0815 70 S 4.4212 9.6245 118.1935 59.7378 64.8145 174.7802 71 R 4.5144 7.6432 118.9735 53.8766 33.2961 175.2063 72 N 4.8963 8.7957 121.5505 53.1177 39.6512 175.2326 73 C 4.7019 8.5366 120.1424 56.5984 43.1685 172.3857 74 S 4.7185 9.1144 118.2318 56.5605 65.8550 174.5472 75 R 3.9956 8.4517 117.2912 57.8697 30.0829 178.1347 76 T 5.3484 7.2564 105.2393 60.3294 70.8750 174.1147 77 E 4.5384 8.8253 122.3003 54.1712 32.5980 174.6808 78 N 4.2450 7.8354 120.7135 52.3010 40.0436 174.4188 79 A 4.3865 8.2767 124.6718 52.2694 19.6729 177.1080 80 V 4.3664 8.5767 118.9050 61.2292 34.6381 174.3842 81 C 4.6160 8.9366 125.5775 57.1744 37.2608 173.2263 82 G 4.1543 8.5697 109.0986 45.5783 0.0000 169.6390 83 C 5.5826 8.7023 118.0737 54.8086 40.7721 174.5003 84 S 4.4223 8.7806 118.7455 57.4009 64.0070 172.1521 85 P 4.4693 0.0000 0.0000 64.2958 31.7266 176.7736 86 G 4.1475 9.8278 108.3095 46.3032 0.0000 172.2352 87 H 5.0662 7.5281 114.8496 54.2031 33.5474 172.4210 88 F 4.9404 8.3945 113.2316 55.5377 41.4853 172.8354 89 C 4.8888 8.8497 121.0012 56.6229 43.8520 172.9983 90 I 4.3158 8.3826 117.3474 60.3106 39.0841 175.4731 91 V 4.2722 7.4156 123.0729 61.8003 34.5084 174.9556 92 Q 4.3510 8.5150 127.7991 55.0594 30.6270 175.5366 *95 D 4.5503 8.3766 117.0793 54.5470 42.4185 175.1272 96 H 4.9856 7.7121 115.9202 53.8416 31.1425 174.6735 97 C 4.5661 8.2509 120.7025 56.6498 44.1844 172.9772 98 A 4.5038 9.0244 127.8471 53.4807 20.0534 177.6251 99 A 4.6175 7.6555 115.6528 50.6363 22.6747 175.9972 100 C 5.1847 8.0833 117.9080 55.0798 44.0723 173.3822 101 R 4.6475 8.1809 120.7727 54.1504 32.9381 174.5789 102 A 4.3767 8.3902 126.8160 51.7353 19.1725 177.0812 103 Y 4.6364 8.2515 119.5749 57.6574 38.7640 176.2748 104 A 4.1776 8.7517 125.5073 52.5387 19.3135 177.9145 105 T 4.1992 8.3982 110.3907 61.8453 69.1804 174.7707 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 4 C 8.45 4.67 0.00 2.98 3.09 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 0.00 5 K 8.24 4.16 0.00 2.15 1.82 0.00 1.59 0.00 0.00 2.06 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.55 7.81 6 E 8.53 3.78 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 2.32 2.43 0.00 7 D 8.10 4.93 0.00 2.88 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 8 E 8.73 5.35 0.00 1.98 1.90 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 2.25 2.24 0.00 9 Y 9.16 4.85 0.00 3.02 2.97 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 10 P 0.00 4.52 0.00 1.95 2.00 0.00 3.74 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 2.04 2.08 0.00 11 V 8.84 4.08 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 0.51 0.00 0.00 0.88 0.00 0.00 12 G 8.42 3.99 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 0.00 0.00 0.00 13 S 8.29 4.48 0.00 3.97 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 14 E 7.50 4.59 0.00 1.96 1.78 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 0.00 2.22 2.28 0.00 15 C 8.42 5.00 0.00 2.83 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 16 C 8.05 4.98 0.00 2.16 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 17 P 0.00 4.82 0.00 1.98 2.03 0.00 3.72 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 2.05 2.11 0.00 18 K 8.41 4.34 0.00 1.83 1.83 0.00 1.50 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.82 7.81 19 C 8.81 4.58 0.00 2.87 3.05 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 20 S 8.23 5.03 0.00 3.81 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 21 P 0.00 4.56 0.00 2.09 2.15 0.00 3.75 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 2.06 2.05 0.00 22 G 9.27 3.91 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 0.00 0.00 0.00 23 Y 7.82 5.23 0.00 2.99 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 24 R 9.09 4.77 0.00 1.77 1.94 0.00 2.79 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 25 V 8.42 3.90 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 0.90 0.00 0.00 0.41 0.00 0.00 26 K 8.83 4.44 0.00 1.78 2.01 0.00 2.22 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.35 7.81 27 E 7.82 4.84 0.00 2.07 1.73 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 2.31 2.34 0.00 28 A 8.92 4.88 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 29 C 8.34 4.99 0.00 3.08 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 30 G 8.46 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 31 E 9.00 3.76 0.00 1.90 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 0.00 2.29 2.42 0.00 32 L 7.81 4.59 0.00 1.62 1.63 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.23 4.37 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 1.23 0.00 0.00 34 G 7.99 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 0.00 0.00 0.00 0.00 35 T 8.33 4.49 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 1.33 0.00 0.00 36 V 8.57 3.97 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 1.03 0.00 0.00 0.94 0.00 0.00 37 C 8.57 5.21 0.00 2.62 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 38 E 9.24 5.03 0.00 2.02 1.77 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 2.21 2.30 0.00 39 P 0.00 4.37 0.00 1.86 1.68 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 40 C 8.68 4.47 0.00 2.76 2.98 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 0.00 0.00 0.00 41 P 0.00 4.52 0.00 2.16 1.95 0.00 3.58 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 2.09 2.08 0.00 42 P 0.00 4.36 0.00 2.03 2.00 0.00 3.65 0.00 0.00 3.64 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 43 G 9.22 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 44 T 7.43 5.54 4.31 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 1.20 0.00 0.00 45 Y 7.69 4.80 0.00 3.15 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 46 I 8.66 4.23 1.83 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 0.95 0.81 0.97 0.00 0.00 47 A 9.00 4.70 1.35 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 48 H 7.72 5.05 0.00 2.95 3.20 0.00 5.91 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.65 4.19 0.00 1.53 1.65 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.95 4.89 0.00 2.84 2.74 0.00 0.00 6.40 7.83 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 51 G 8.53 3.87 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 0.00 0.00 0.00 52 L 8.35 4.70 0.00 1.80 1.54 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.65 4.79 0.00 3.96 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 54 K 7.45 4.51 0.00 1.79 1.75 0.00 1.52 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.42 7.81 55 C 8.21 4.94 0.00 2.75 3.10 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 0.00 0.00 0.00 0.00 56 L 8.00 4.58 0.00 0.78 1.21 0.75 0.73 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 57 Q 8.41 4.64 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 58 C 9.23 4.88 0.00 2.94 3.09 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 0.00 59 Q 9.37 4.30 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 60 M 8.23 4.78 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 61 C 8.36 4.63 0.00 2.90 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 62 D 8.57 4.36 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.24 0.00 2.06 2.09 0.00 3.74 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 2.02 2.08 0.00 64 A 7.42 3.79 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 65 M 8.17 3.96 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.54 0.00 66 G 9.06 4.30 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 0.00 67 L 7.53 5.04 0.00 1.68 1.57 0.89 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.60 4.57 0.00 1.83 1.75 0.00 3.12 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 69 A 8.91 4.36 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 70 S 9.62 4.42 0.00 3.74 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 71 R 7.64 4.51 0.00 1.69 1.80 0.00 3.09 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 72 N 8.80 4.90 0.00 2.58 2.75 0.00 0.00 7.13 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 73 C 8.54 4.70 0.00 2.94 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 74 S 9.11 4.72 0.00 3.92 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 R 8.45 4.00 0.00 1.83 1.92 0.00 2.93 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 76 T 7.26 5.35 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 77 E 8.83 4.54 0.00 1.88 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 78 N 7.84 4.25 0.00 1.44 2.31 0.00 0.00 7.03 7.96 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 79 A 8.28 4.39 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 80 V 8.58 4.37 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 0.83 0.00 0.00 1.02 0.00 0.00 81 C 8.94 4.62 0.00 2.91 2.96 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 82 G 8.57 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 0.00 0.00 0.00 0.00 83 C 8.70 5.58 0.00 2.84 2.96 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 84 S 8.78 4.42 0.00 3.83 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 85 P 0.00 4.47 0.00 2.11 2.10 0.00 3.74 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 2.05 2.12 0.00 86 G 9.83 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 0.00 0.00 0.00 0.00 87 H 7.53 5.07 0.00 2.99 3.03 0.00 5.85 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 88 F 8.39 4.94 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 89 C 8.85 4.89 0.00 2.99 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 90 I 8.38 4.32 1.77 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 0.96 0.74 0.46 0.00 0.00 91 V 7.42 4.27 2.13 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 0.86 0.00 0.00 0.88 0.00 0.00 92 Q 8.52 4.35 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.49 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 *95 D 8.38 4.55 0.00 2.70 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 96 H 7.71 4.99 0.00 3.08 3.31 0.00 5.71 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 97 C 8.25 4.57 0.00 2.90 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 98 A 9.02 4.50 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 99 A 7.66 4.62 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 0.00 100 C 8.08 5.18 0.00 2.78 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 0.00 101 R 8.18 4.65 0.00 1.39 0.66 0.00 3.09 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.45 0.00 102 A 8.39 4.38 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 0.00 0.00 0.00 0.00 0.00 103 Y 8.25 4.64 0.00 2.94 2.78 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 0.00 0.00 0.00 0.00 104 A 8.75 4.18 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 0.00 105 T 8.40 4.20 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 1.24 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.