NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.6441 8.4129 118.1062 57.2845 43.2895 172.7267 2 E 4.8346 8.7121 119.8546 54.6758 31.1356 168.8522 3 E 4.3502 9.6770 115.7741 58.1292 30.7950 175.5100 4 P 3.7822 0.0000 0.0000 61.4113 31.9945 174.6324 5 P 4.3639 0.0000 0.0000 63.2680 31.8323 176.0505 6 T 4.7227 7.9366 110.0728 60.3967 70.7535 173.4500 7 F 4.6626 8.2143 119.9245 56.0163 43.0911 174.3179 8 E 4.2172 8.9072 120.7682 57.0766 30.1251 176.0956 9 A 3.7618 7.7947 119.6143 51.7437 21.5901 176.2109 10 M 5.1724 7.7694 111.5244 53.5037 34.5387 174.7707 11 E 4.8934 8.9504 119.4322 54.2812 33.2823 174.5556 12 L 4.2472 8.4878 121.0497 54.9125 43.2657 176.0060 13 I 4.1193 8.0765 125.0488 61.8449 38.3288 176.2240 14 G 3.7341 8.8067 117.7954 44.4882 0.0000 172.5598 15 K 4.0427 8.2000 119.9840 53.9037 32.1445 170.8946 16 P 4.6376 0.0000 0.0000 61.3866 30.8447 176.8027 17 K 4.1579 8.8368 126.2896 53.1647 32.4054 172.7990 18 P 4.6444 0.0000 0.0000 64.7580 31.5709 177.3503 *19 Y 5.5138 7.1806 116.2955 54.9898 40.4497 176.6425 20 Y 4.6829 8.7346 121.8759 55.9657 41.1482 172.9424 21 E 4.8573 8.9051 121.3337 55.2688 32.7359 174.8447 22 I 4.4321 8.2967 118.4416 61.0205 38.9490 176.9448 23 G 3.9746 9.2453 112.8925 45.4318 0.0000 173.2006 24 E 4.2855 7.6322 121.0858 55.8525 30.9239 175.1017 25 R 5.2567 8.6130 126.7998 54.6257 32.1812 175.3075 26 V 4.3552 8.3620 124.9622 59.9350 34.4537 174.2857 27 D 5.0264 8.3134 122.4631 52.9563 43.6663 174.7362 28 Y 5.2389 8.8309 118.7406 56.0625 41.0502 175.2440 29 K 4.7467 8.6456 120.1084 54.9394 36.4276 174.7890 30 C 4.8650 8.7344 118.9422 56.8996 41.9503 174.0034 31 K 4.5267 9.1708 123.0054 55.6606 33.2843 176.4923 32 K 3.8809 8.7132 122.6744 58.7503 32.3747 176.8155 33 G 4.0803 9.4224 114.0871 45.0198 0.0000 172.0223 34 Y 5.5322 8.1122 116.4514 56.1829 41.2432 175.0941 35 F 5.2521 9.4257 115.8181 55.4530 41.9085 172.9581 36 Y 5.0603 8.7834 121.1695 56.9491 40.5599 174.0670 37 I 4.3669 7.3887 125.7798 58.5312 40.4228 173.8738 38 P 4.2652 0.0000 0.0000 61.7667 31.7492 174.1000 39 P 4.7962 0.0000 0.0000 62.4130 31.4387 175.1133 40 L 4.0201 7.7321 118.6608 55.4377 41.9932 176.1097 41 A 4.6489 8.1260 122.5408 51.6300 20.5557 176.9835 42 T 4.7076 8.2466 107.4111 61.3635 70.6055 172.4777 43 H 5.4481 7.6903 116.4795 54.8664 32.3978 171.9686 44 T 4.6082 8.3142 109.9790 61.4296 71.0952 172.2196 45 I 5.1046 8.5237 127.0242 60.0957 41.0671 175.3727 46 C 4.6854 8.8014 125.1305 54.9915 43.5353 173.2204 47 D 4.5867 8.2744 128.0278 52.6325 40.7753 177.4593 48 R 4.0454 8.7653 116.4770 59.8405 28.9949 174.7040 49 N 4.4367 8.2774 114.4016 54.4361 38.4358 174.9940 *50 H 3.9375 8.0664 114.2235 55.5051 25.6091 179.4987 51 T 4.5920 7.2432 107.8853 59.9477 71.9968 172.6152 52 W 5.1289 8.4778 122.6532 56.1938 29.8604 176.4555 53 L 4.3125 8.7127 125.2046 54.2205 42.0868 175.1745 54 P 4.6343 0.0000 0.0000 63.1419 31.9625 177.1315 55 V 4.2475 7.9498 119.4716 60.9447 33.8234 172.6167 56 S 4.8865 8.2898 118.2220 56.4246 66.0964 173.4885 57 D 4.3234 8.5339 121.9019 53.4581 39.1538 176.5836 58 D 4.3444 7.5321 118.0236 56.0786 42.4549 178.2814 59 A 3.8580 7.6512 120.6284 54.1464 19.7148 177.5045 60 C 4.7570 7.7844 112.5792 56.1998 40.4719 173.3733 61 Y 4.5459 8.3209 122.3462 56.8487 39.6503 174.9840 62 R 4.1968 8.5268 121.6234 55.2585 31.3352 175.9324 63 E 4.3494 8.9743 125.6492 57.5041 30.6456 176.4541 64 T 5.0650 8.4968 112.9465 60.3699 71.9254 173.6448 65 C 4.9026 8.6563 119.0020 54.2487 42.5053 172.7321 66 P 4.5969 0.0000 0.0000 62.6669 31.5957 176.0621 67 Y 4.2188 8.6726 122.2730 57.9946 39.1846 175.6387 68 I 4.0994 7.6362 127.7962 58.9787 38.3029 175.7466 69 R 3.6865 7.9383 125.9335 55.5982 30.5967 175.9314 70 D 4.4549 8.5918 123.5537 54.0557 41.4377 175.0366 71 P 4.2330 0.0000 0.0000 62.1794 31.9939 175.5410 72 L 3.9780 8.2422 123.4994 56.7378 42.5188 176.7615 73 N 4.0750 8.9751 121.2017 53.4565 36.6540 173.2626 74 G 4.3443 7.6505 107.1295 45.9093 0.0000 172.3896 75 Q 4.5408 8.3603 119.1672 55.3499 33.4593 173.9539 76 A 4.3799 8.9064 129.6215 50.6772 20.1130 176.6489 77 V 4.1939 8.1282 116.6967 59.0703 34.6566 173.5658 78 P 4.3308 0.0000 0.0000 62.8059 31.5500 177.4166 79 A 4.0766 8.3626 127.6884 54.1164 18.4411 177.7028 80 N 4.8110 8.0821 112.5926 52.6314 39.1649 175.3684 81 G 4.2467 8.1393 104.6335 46.2832 0.0000 173.4459 82 T 4.6572 7.2033 112.3861 61.4258 70.7038 172.7308 83 Y 4.7036 8.4858 116.7615 57.4471 38.7430 175.8524 84 E 4.6537 7.9832 120.6390 55.6461 30.2490 176.4340 85 F 4.5509 7.5270 115.8123 57.9487 38.4188 176.1067 86 G 3.7307 9.3492 111.3807 45.0474 0.0000 172.5955 87 Y 5.0677 7.2729 116.9329 56.3528 41.7594 174.6064 88 Q 5.3428 8.8033 118.8854 54.7380 32.6099 174.1551 89 M 4.6196 8.6040 119.7808 53.9871 35.2189 173.6323 90 H 5.1062 8.6240 125.3119 54.3681 32.8292 172.9151 91 F 5.2879 8.6790 122.7557 55.7784 41.5515 174.7342 92 I 4.7511 8.6586 123.4999 59.7613 41.1991 173.5676 93 C 4.8865 8.7896 123.4743 55.2567 39.4733 173.4939 94 N 4.6293 8.7201 122.9950 53.7930 39.6870 175.0720 95 E 4.2309 8.7108 116.4127 57.7269 30.1708 178.5166 96 G 3.9451 9.2465 110.7622 44.6791 0.0000 172.6452 97 Y 5.3433 7.7862 116.1355 56.2580 41.7841 174.4426 98 Y 5.0198 9.0857 119.1523 55.1507 41.7944 174.2222 99 L 4.8488 8.5891 122.7120 54.3127 43.4840 175.7274 100 I 4.1540 8.2691 118.3086 60.3796 40.0029 173.2472 101 G 3.5517 8.7472 116.3758 45.4389 0.0000 167.4806 102 E 3.6444 8.1539 123.8811 56.4682 26.3741 174.0936 103 E 4.5294 8.3635 120.4423 56.6875 31.1069 175.9601 104 I 5.5907 7.3321 120.1678 58.9920 41.3795 174.3094 105 L 4.7158 8.3187 125.3601 53.0509 45.2140 175.1761 106 Y 4.8383 8.3790 121.6974 57.9858 39.7387 174.2452 107 C 4.6552 9.1134 124.9246 55.3202 42.9507 172.5334 108 E 4.6542 8.6151 124.6090 54.5568 31.9745 175.1446 109 L 4.3445 8.2306 125.6808 54.2310 41.6950 176.8628 110 K 4.3509 8.5179 129.9237 54.1224 33.0950 174.4192 111 G 4.1049 8.2903 118.0240 45.6102 0.0000 174.6823 112 S 4.5405 8.8271 120.8961 57.9047 63.8965 173.6041 113 V 4.2857 7.2348 119.0863 60.6860 33.5244 173.8185 114 A 4.9554 8.2873 128.0418 50.5608 20.4003 176.3232 115 I 4.6362 8.0590 115.4338 58.9377 41.8761 174.1059 116 W 4.9979 8.6314 122.8712 56.1090 29.4920 176.4676 117 S 4.3317 9.7927 121.1363 61.5935 62.4182 173.9765 118 G 4.4091 7.9038 106.6240 44.1022 0.0000 170.6798 119 K 4.5834 8.4899 121.0201 53.5513 33.8891 175.2960 120 P 3.5480 0.0000 0.0000 62.6465 31.6434 174.3922 121 P 4.4146 0.0000 0.0000 62.0554 33.0328 175.0475 122 I 4.4787 7.7845 119.6106 59.8614 40.7971 174.6111 123 C 5.2562 8.5333 121.4037 55.3763 43.2999 173.0706 124 E 4.8074 8.8911 128.0848 54.6859 31.8233 177.2142 125 K 3.9306 8.8798 123.9929 54.2746 31.9153 178.2471 126 V 3.5990 8.1575 124.0892 64.4514 32.3631 171.8858 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 1 C 8.41 4.64 0.00 2.54 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 2 E 8.71 4.83 0.00 2.06 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 2.19 1.96 0.00 3 E 9.68 4.35 0.00 2.19 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 0.00 2.49 2.55 0.00 4 P 0.00 3.78 0.00 1.74 0.98 0.00 3.80 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.31 0.00 5 P 0.00 4.36 0.00 2.13 1.83 0.00 3.54 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 6 T 7.94 4.72 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 7 F 8.21 4.66 0.00 2.89 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 8 E 8.91 4.22 0.00 1.89 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 2.25 2.31 0.00 9 A 7.79 3.76 0.76 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 10 M 7.77 5.17 0.00 1.75 1.92 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.90 0.00 11 E 8.95 4.89 0.00 2.09 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 2.22 2.25 0.00 12 L 8.49 4.25 0.00 1.59 1.56 0.44 0.98 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 13 I 8.08 4.12 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.78 0.86 0.00 0.00 14 G 8.81 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 15 K 8.20 4.04 0.00 1.79 1.62 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.03 7.81 16 P 0.00 4.64 0.00 2.07 2.10 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 2.03 2.09 0.00 17 K 8.84 4.16 0.00 1.75 1.59 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.28 7.81 18 P 0.00 4.64 0.00 1.97 2.10 0.00 3.48 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 1.96 1.99 0.00 *19 Y 7.18 5.51 0.00 2.03 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 0.00 0.00 0.00 0.00 20 Y 8.73 4.68 0.00 2.97 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 21 E 8.91 4.86 0.00 2.06 1.95 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 2.24 2.31 0.00 22 I 8.30 4.43 1.85 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 1.30 0.58 0.98 0.00 0.00 23 G 9.25 3.97 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 0.00 0.00 0.00 24 E 7.63 4.29 0.00 2.26 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 0.00 2.42 2.34 0.00 25 R 8.61 5.26 0.00 1.85 1.76 0.00 2.85 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.76 0.00 26 V 8.36 4.36 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.58 0.00 0.00 27 D 8.31 5.03 0.00 2.55 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.83 5.24 0.00 2.71 2.69 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 29 K 8.65 4.75 0.00 1.78 1.84 0.00 1.32 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.40 7.81 30 C 8.73 4.87 0.00 3.01 3.22 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 31 K 9.17 4.53 0.00 1.74 1.83 0.00 1.81 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.66 1.39 7.81 32 K 8.71 3.88 0.00 1.75 1.82 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 33 G 9.42 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 34 Y 8.11 5.53 0.00 3.01 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 35 F 9.43 5.25 0.00 3.23 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 36 Y 8.78 5.06 0.00 3.12 2.89 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 37 I 7.39 4.37 1.82 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.46 0.76 0.00 0.00 38 P 0.00 4.27 0.00 2.01 2.06 0.00 3.58 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.22 0.00 39 P 0.00 4.80 0.00 2.15 2.13 0.00 3.50 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.06 0.00 40 L 7.73 4.02 0.00 1.59 1.64 0.87 0.73 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 41 A 8.13 4.65 1.08 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 42 T 8.25 4.71 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 1.02 0.00 0.00 43 H 7.69 5.45 0.00 3.04 3.40 0.00 5.76 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 44 T 8.31 4.61 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 0.99 0.00 0.00 45 I 8.52 5.10 1.97 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 1.34 0.87 1.03 0.00 0.00 46 C 8.80 4.69 0.00 2.13 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 47 D 8.27 4.59 0.00 2.84 2.71 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 0.00 48 R 8.77 4.05 0.00 1.75 2.01 0.00 3.26 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.25 0.00 49 N 8.28 4.44 0.00 2.67 2.87 0.00 0.00 6.77 8.16 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 *50 H 8.07 3.94 0.00 3.09 3.00 0.00 7.15 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 51 T 7.24 4.59 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 1.17 0.00 0.00 52 W 8.48 5.13 0.00 3.26 3.14 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 53 L 8.71 4.31 0.00 1.68 1.73 0.99 1.18 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 54 P 0.00 4.63 0.00 1.96 2.01 0.00 3.76 0.00 0.00 3.76 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 55 V 7.95 4.25 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 0.94 0.00 0.00 0.58 0.00 0.00 56 S 8.29 4.89 0.00 4.07 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 57 D 8.53 4.32 0.00 2.56 2.48 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 58 D 7.53 4.34 0.00 2.52 2.57 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 0.00 0.00 0.00 0.00 59 A 7.65 3.86 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 60 C 7.78 4.76 0.00 2.67 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 61 Y 8.32 4.55 0.00 2.40 2.71 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 0.00 62 R 8.53 4.20 0.00 1.66 1.68 0.00 2.97 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.64 0.00 63 E 8.97 4.35 0.00 2.30 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 2.59 2.49 0.00 64 T 8.50 5.07 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 1.33 0.00 0.00 65 C 8.66 4.90 0.00 2.41 2.30 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 66 P 0.00 4.60 0.00 2.32 2.15 0.00 3.80 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 67 Y 8.67 4.22 0.00 2.72 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 68 I 7.64 4.10 1.59 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.92 0.78 0.00 0.00 69 R 7.94 3.69 0.00 1.69 1.77 0.00 3.33 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 70 D 8.59 4.45 0.00 2.70 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 4.23 0.00 2.12 1.87 0.00 3.72 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.16 0.00 72 L 8.24 3.98 0.00 1.51 1.49 0.84 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.98 4.07 0.00 2.32 1.42 0.00 0.00 6.78 7.67 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 74 G 7.65 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.36 4.54 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.18 2.38 0.00 76 A 8.91 4.38 1.02 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 77 V 8.13 4.19 2.01 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 0.67 0.00 0.00 0.88 0.00 0.00 78 P 0.00 4.33 0.00 2.07 2.10 0.00 3.60 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 2.30 2.11 0.00 79 A 8.36 4.08 1.31 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 0.00 0.00 80 N 8.08 4.81 0.00 2.81 2.62 0.00 0.00 7.04 8.36 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 81 G 8.14 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 82 T 7.20 4.66 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 0.89 0.00 0.00 83 Y 8.49 4.70 0.00 3.12 3.01 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 84 E 7.98 4.65 0.00 2.26 1.71 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 2.33 2.29 0.00 85 F 7.53 4.55 0.00 2.95 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 86 G 9.35 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 87 Y 7.27 5.07 0.00 3.13 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 88 Q 8.80 5.34 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.86 0.00 0.00 0.00 0.00 0.00 2.57 2.74 0.00 89 M 8.60 4.62 0.00 1.44 1.12 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.47 0.00 90 H 8.62 5.11 0.00 3.10 3.01 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.68 5.29 0.00 2.81 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 92 I 8.66 4.75 1.90 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 1.30 0.89 0.95 0.00 0.00 93 C 8.79 4.89 0.00 2.92 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 94 N 8.72 4.63 0.00 2.88 2.85 0.00 0.00 6.83 7.56 0.00 0.00 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 E 8.71 4.23 0.00 1.98 1.75 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 2.23 1.89 0.00 96 G 9.25 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 0.00 0.00 0.00 97 Y 7.79 5.34 0.00 2.99 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 98 Y 9.09 5.02 0.00 3.01 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 99 L 8.59 4.85 0.00 1.67 1.60 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.27 4.15 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.49 0.64 0.00 0.00 101 G 8.75 3.55 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 0.00 102 E 8.15 3.64 0.00 2.02 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 0.00 2.13 2.22 0.00 103 E 8.36 4.53 0.00 2.19 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 0.00 2.31 2.25 0.00 104 I 7.33 5.59 1.71 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 1.36 0.21 0.45 0.00 0.00 105 L 8.32 4.72 0.00 1.47 1.68 0.81 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 8.38 4.84 0.00 3.06 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 0.00 107 C 9.11 4.66 0.00 1.50 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 0.00 108 E 8.62 4.65 0.00 1.88 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 2.22 2.28 0.00 109 L 8.23 4.34 0.00 0.75 1.05 0.80 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.52 4.35 0.00 1.73 1.70 0.00 1.90 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.23 7.81 111 G 8.29 4.10 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 0.00 0.00 0.00 112 S 8.83 4.54 0.00 3.85 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 0.00 113 V 7.23 4.29 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 0.93 0.00 0.00 0.90 0.00 0.00 114 A 8.29 4.96 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 0.00 115 I 8.06 4.64 1.89 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 1.18 1.00 0.89 0.00 0.00 116 W 8.63 5.00 0.00 3.25 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 0.00 117 S 9.79 4.33 0.00 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 0.00 118 G 7.90 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 K 8.49 4.58 0.00 1.68 1.63 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.23 1.38 7.81 120 P 0.00 3.55 0.00 1.86 1.75 0.00 3.63 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 121 P 0.00 4.41 0.00 1.54 1.95 0.00 2.20 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.74 0.00 122 I 7.78 4.48 1.71 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.22 0.78 0.00 0.00 123 C 8.53 5.26 0.00 2.86 2.89 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 0.00 124 E 8.89 4.81 0.00 1.66 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 2.31 2.43 0.00 125 K 8.88 3.93 0.00 1.82 1.68 0.00 2.01 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.36 0.99 7.81 126 V 8.16 3.60 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 0.74 0.00 0.00 1.11 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.