NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.7086 8.4449 117.8490 55.6838 29.2123 172.3488 *2 S 4.2332 8.2809 120.0782 58.4809 63.8965 173.5540 3 A 4.4992 7.9740 123.6259 51.1956 21.6359 175.8154 4 R 4.2226 8.5151 121.8291 55.3719 30.9034 175.8225 5 V 4.4536 8.3097 124.7735 61.1028 33.5086 174.7159 6 R 4.7789 8.2998 124.7790 53.4941 34.3535 173.0431 7 P 4.6458 0.0000 0.0000 63.2097 32.9181 174.9068 8 F 5.2146 8.3916 122.4915 57.2604 42.4776 173.6380 9 L 4.8229 8.5638 127.3961 53.2041 45.1913 175.0008 *11 F 4.9754 8.3551 116.3160 58.3230 40.6444 174.5348 12 Q 4.8912 9.0652 121.2690 55.7322 30.9589 176.6787 13 G 3.9285 8.7595 109.8544 46.3284 0.0000 176.1481 14 V 4.4700 8.3061 123.8492 61.1690 32.0057 174.6723 15 Q 4.4583 8.5481 122.5172 55.1875 32.2712 177.4971 16 A 3.0430 8.6049 121.3673 54.7763 18.5771 178.5687 17 E 3.8572 7.9629 115.0703 59.0214 30.2982 177.7257 18 A 3.9792 7.8686 121.2255 55.1806 18.7174 179.6415 19 A 2.9211 7.2372 116.2372 52.4098 17.3327 178.9866 *21 N 4.5654 8.2506 118.8033 54.8425 41.0103 176.8898 22 F 4.2591 8.1751 119.6076 61.7033 39.4926 176.8363 23 Y 4.1215 7.6936 116.6803 61.1093 37.6012 178.6933 24 L 4.1755 7.5170 120.3895 57.5299 41.4759 179.2867 25 S 4.1782 7.6797 112.4932 60.2240 63.1595 175.5339 26 L 3.9632 7.4534 121.5863 54.4443 42.1123 176.5532 27 F 4.8241 7.0540 116.1029 55.3676 42.3668 174.6076 28 D 4.4225 9.0134 124.6872 57.3033 41.6012 176.3804 29 D 4.8429 7.8954 120.6100 52.3827 39.6255 174.2597 30 A 5.1719 7.7735 121.3162 50.3518 22.8135 175.3841 31 E 4.7396 8.9076 117.5447 55.2687 33.7100 174.2003 32 I 4.3910 8.2685 121.9547 61.1821 37.2354 175.9362 33 L 4.3626 9.0147 128.4622 57.1493 42.5657 177.8079 34 Q 4.6683 7.8427 116.2412 54.4458 33.4001 173.9619 35 I 4.9591 8.2330 122.6765 59.6415 41.5739 173.5513 36 Q 4.5246 9.2818 130.1418 54.4797 31.8152 174.0773 37 R 5.0825 8.4914 124.9131 54.4477 32.6913 175.8065 38 Y 4.0507 8.7532 120.2246 58.1134 38.7825 176.2340 39 G 4.2161 8.8800 118.3369 46.0798 0.0000 175.0672 40 A 4.4395 8.5932 125.8014 52.6338 19.1339 178.0357 41 E 4.0108 8.1491 113.7682 56.6199 30.3476 177.9711 42 G 3.8208 8.0026 108.2219 43.6813 0.0000 171.0899 43 P 4.1793 0.0000 0.0000 64.3011 31.7685 176.8352 44 G 3.0834 5.9601 108.5907 43.0771 0.0000 171.0839 45 P 4.2084 0.0000 0.0000 61.9356 31.8303 175.6070 46 E 4.6289 8.0904 121.4613 57.5527 29.7358 176.9620 47 G 4.0295 9.2466 115.7169 45.3035 0.0000 173.7438 48 S 4.3816 7.9940 114.5078 57.5329 64.1907 173.5295 49 V 4.1050 8.9897 121.5377 62.0239 31.1741 176.2457 50 L 3.6097 8.3222 130.6343 57.5629 42.2844 177.0699 51 K 4.7149 7.6764 117.8095 55.3879 35.7100 173.8653 52 A 5.1985 8.8706 127.1937 50.5721 23.4703 174.6084 53 L 5.2790 9.1943 121.3713 53.3241 45.5562 175.4781 54 F 5.6756 9.0680 120.4986 54.9962 42.2404 173.7266 55 R 4.9154 9.2580 114.8516 54.3801 33.2467 174.2893 56 L 4.3922 8.6577 121.7488 52.4907 43.8042 176.7666 57 G 3.7294 9.1882 117.0987 46.7223 0.0000 173.0648 58 D 4.5370 8.7495 124.5428 53.0916 39.5665 175.4756 59 Q 4.5178 8.0000 123.0524 54.7821 30.3430 174.6093 60 S 4.8762 8.4565 121.6258 57.4671 65.0865 173.8074 61 V 4.3970 8.1622 121.4144 61.5598 34.6409 174.3380 62 H 5.1399 9.0036 125.1122 55.9279 30.4029 173.9657 63 C 5.3986 8.9453 114.5829 57.7967 33.3091 172.5158 64 I 5.0167 8.0972 111.9421 59.6788 40.7895 173.7019 65 D 5.1376 8.8799 123.3126 53.2708 42.1270 176.0312 66 S 4.9181 9.4669 119.8914 57.0095 63.3518 174.6190 67 H 4.3010 9.2342 123.1208 57.3397 28.9926 175.4854 68 V 3.7547 6.9541 119.9661 62.0516 31.8060 175.3578 69 R 4.5333 8.1564 126.0452 55.2948 31.5045 175.0300 70 H 4.7475 8.5314 116.9633 53.5968 32.5821 173.8438 71 A 4.0258 8.2835 123.1514 54.5376 18.4587 178.2092 72 F 4.6268 7.1802 110.1280 56.4808 39.1128 173.2775 73 D 4.7158 8.2504 119.2997 52.5048 44.2722 174.2007 74 F 4.3411 8.5273 119.1893 58.1422 39.5184 174.8038 75 T 4.9160 8.2655 112.3243 59.3646 71.8586 172.7101 76 P 4.9745 0.0000 0.0000 63.4064 31.4257 177.7965 77 A 4.1753 8.0101 121.7471 54.1103 18.4678 177.5828 78 F 4.7381 7.9923 116.9105 56.4339 41.2837 173.7230 79 S 4.7271 8.4238 121.2506 56.5964 66.7803 173.0694 80 F 4.6263 8.0902 118.6623 56.4891 40.3619 174.8960 81 F 5.1268 8.8277 124.2189 56.3432 41.8372 174.1107 82 V 4.3842 8.3120 126.4318 61.1691 33.7952 174.2992 83 D 4.9746 8.9348 128.6753 53.9934 40.5901 176.0680 84 C 4.5852 9.0436 122.1725 59.4374 28.6852 174.2571 85 E 4.2700 9.7333 121.4731 58.7087 29.9058 177.4283 86 S 4.6214 7.4714 111.5203 55.9390 66.9196 174.7051 87 N 4.2452 8.7195 120.1851 56.7498 38.6785 176.4843 88 A 3.9494 8.0078 121.6373 55.3622 18.3671 179.2890 89 Q 3.8015 8.1403 117.8246 59.3711 29.0947 178.2151 90 I 3.6146 7.7848 119.6851 63.9337 37.9687 177.7501 91 E 3.9054 8.3526 119.6899 59.2534 29.3068 179.1844 92 R 3.7990 7.8918 118.6455 59.4970 30.1018 178.5934 93 L 3.7230 8.0055 118.6524 57.5961 41.5630 179.3335 94 A 3.9429 8.1763 121.0386 55.0113 18.0673 179.3156 95 E 3.8102 7.9560 116.5524 59.3444 29.9392 178.6721 96 A 4.1819 8.0224 120.7448 55.3463 18.5908 179.7209 97 L 4.1679 8.3092 118.1616 57.5203 41.5961 179.2064 98 S 4.6905 8.1193 113.0047 58.4691 63.1654 173.2178 99 D 4.4056 7.4843 123.0614 55.4277 40.5288 176.1106 100 G 3.8991 9.0195 115.1446 45.4909 0.0000 171.9039 101 G 4.7491 7.8349 107.8218 45.0993 0.0000 172.6225 102 K 4.7310 9.2218 122.0682 54.8188 35.9946 176.9163 103 A 4.6594 8.7237 129.3828 50.3626 17.8535 176.8084 104 L 4.0918 8.5564 115.9574 56.1453 41.9229 175.2232 *106 P 4.3449 0.0000 0.0000 61.6824 32.7531 176.0808 107 L 4.1865 8.6997 123.8766 56.5558 42.5094 176.4390 108 G 3.8402 8.7738 111.6532 46.2607 0.0000 171.0908 109 D 4.9981 8.5646 120.0493 53.0146 41.5028 175.5643 110 Y 4.2726 8.4905 123.0538 57.7298 38.2254 176.8774 111 G 4.0074 8.4125 110.0615 44.9749 0.0000 174.4512 112 F 4.8338 6.8516 112.2938 56.6291 38.8765 174.7245 113 S 4.5563 7.0490 114.3345 57.4777 65.4032 174.3608 114 Q 4.2025 8.5825 121.7834 59.1650 29.1262 176.6207 115 R 5.0338 7.8227 115.7143 55.0818 35.0378 173.9037 116 F 5.5091 9.5851 123.5414 57.1379 43.4588 172.8770 117 A 4.9431 7.9510 125.0466 50.0029 23.3915 174.8972 118 W 4.8997 8.7849 129.4084 55.7427 33.5273 174.0509 119 L 5.4585 9.2782 127.5509 53.0014 44.8790 175.3597 120 A 5.4942 9.0734 124.5521 50.3645 21.2934 177.1523 121 D 5.5434 9.7392 123.2578 51.9548 40.9070 177.2690 122 R 4.1230 8.2824 113.9175 57.7093 29.3847 177.1120 123 F 4.6418 8.6030 116.5386 57.5618 39.3984 176.7007 124 G 4.2173 8.6216 110.0995 44.9889 0.0000 174.1198 125 V 3.5856 7.9598 120.2578 62.4969 32.3531 174.7374 126 S 5.2496 8.5737 122.9470 58.1321 64.5269 172.9770 127 W 4.9100 9.6619 124.0822 55.0072 32.4501 174.1929 128 Q 4.4175 8.9462 124.4738 54.0759 30.5296 174.5695 129 L 4.8573 8.1008 123.9452 52.7341 44.7824 174.9643 130 N 5.4920 8.8696 122.2580 51.6297 42.6854 172.6403 131 L 5.0198 9.0744 128.3329 52.9827 43.8520 175.3465 132 A 4.4226 8.8218 128.6548 51.9384 19.3963 177.3703 133 G 3.7512 8.5826 108.3553 45.7758 0.0000 173.8302 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 0 H 8.44 4.71 0.00 3.14 3.33 0.00 5.72 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 S 8.28 4.23 0.00 3.89 3.84 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 3 A 7.97 4.50 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 4 R 8.52 4.22 0.00 1.79 1.87 0.00 3.19 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 5 V 8.31 4.45 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 0.92 0.00 0.00 0.94 0.00 0.00 6 R 8.30 4.78 0.00 1.90 1.75 0.00 3.57 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 7 P 0.00 4.65 0.00 2.15 2.25 0.00 3.83 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 8 F 8.39 5.21 0.00 2.99 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 9 L 8.56 4.82 0.00 1.70 1.32 1.50 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 *11 F 8.36 4.98 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 12 Q 9.07 4.89 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 5.66 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 13 G 8.76 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 14 V 8.31 4.47 2.11 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 0.90 0.00 0.00 0.97 0.00 0.00 15 Q 8.55 4.46 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.69 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 16 A 8.60 3.04 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 17 E 7.96 3.86 0.00 1.87 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 2.21 2.22 0.00 18 A 7.87 3.98 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 19 A 7.24 2.92 -0.28 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 *21 N 8.25 4.57 0.00 2.89 2.88 0.00 0.00 6.65 8.13 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 22 F 8.18 4.26 0.00 3.10 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 23 Y 7.69 4.12 0.00 2.88 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 24 L 7.52 4.18 0.00 1.93 1.72 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.68 4.18 0.00 4.03 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 26 L 7.45 3.96 0.00 1.20 0.83 0.07 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 27 F 7.05 4.82 0.00 3.10 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 28 D 9.01 4.42 0.00 2.65 2.72 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 0.00 0.00 0.00 29 D 7.90 4.84 0.00 2.87 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 30 A 7.77 5.17 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 31 E 8.91 4.74 0.00 2.08 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 0.00 2.23 2.32 0.00 32 I 8.27 4.39 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.57 0.95 0.00 0.00 33 L 9.01 4.36 0.00 1.66 1.72 0.90 1.10 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 34 Q 7.84 4.67 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 35 I 8.23 4.96 1.88 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 1.22 0.73 0.91 0.00 0.00 36 Q 9.28 4.52 0.00 2.07 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.52 0.00 0.00 0.00 0.00 0.00 2.13 2.25 0.00 37 R 8.49 5.08 0.00 1.73 1.92 0.00 3.27 0.00 0.00 3.47 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 38 Y 8.75 4.05 0.00 3.07 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 39 G 8.88 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 40 A 8.59 4.44 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 41 E 8.15 4.01 0.00 2.13 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 0.00 2.38 2.32 0.00 42 G 8.00 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 43 P 0.00 4.18 0.00 1.92 2.14 0.00 4.00 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.01 0.00 44 G 5.96 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 0.00 0.00 0.00 45 P 0.00 4.21 0.00 2.21 2.15 0.00 3.56 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 46 E 8.09 4.63 0.00 2.03 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 2.33 2.50 0.00 47 G 9.25 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 48 S 7.99 4.38 0.00 4.33 4.09 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 49 V 8.99 4.10 2.22 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 0.95 0.00 0.00 0.96 0.00 0.00 50 L 8.32 3.61 0.00 0.65 1.48 0.54 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 51 K 7.68 4.71 0.00 1.89 1.55 0.00 1.67 0.00 0.00 1.94 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.54 7.81 52 A 8.87 5.20 1.27 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 0.00 0.00 0.00 53 L 9.19 5.28 0.00 1.71 1.48 0.70 0.99 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 54 F 9.07 5.68 0.00 3.31 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 55 R 9.26 4.92 0.00 1.83 1.93 0.00 2.85 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 56 L 8.66 4.39 0.00 1.19 0.96 0.74 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 57 G 9.19 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 58 D 8.75 4.54 0.00 2.77 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 59 Q 8.00 4.52 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.91 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 60 S 8.46 4.88 0.00 3.76 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 61 V 8.16 4.40 0.67 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 1.10 0.00 0.00 0.58 0.00 0.00 62 H 9.00 5.14 0.00 2.97 2.74 0.00 5.88 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.95 5.40 0.00 3.36 3.26 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 64 I 8.10 5.02 2.05 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.89 1.12 0.00 0.00 65 D 8.88 5.14 0.00 2.94 2.94 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 66 S 9.47 4.92 0.00 3.99 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 67 H 9.23 4.30 0.00 3.27 3.33 0.00 5.57 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 6.95 3.75 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 0.59 0.00 0.00 0.71 0.00 0.00 69 R 8.16 4.53 0.00 1.72 1.72 0.00 3.34 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 70 H 8.53 4.75 0.00 1.65 2.41 0.00 5.85 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 71 A 8.28 4.03 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 72 F 7.18 4.63 0.00 3.08 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 73 D 8.25 4.72 0.00 2.65 2.66 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 0.00 0.00 0.00 0.00 74 F 8.53 4.34 0.00 3.35 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 75 T 8.27 4.92 4.33 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 1.34 0.00 0.00 76 P 0.00 4.97 0.00 2.01 2.16 0.00 3.80 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.16 0.00 77 A 8.01 4.18 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 78 F 7.99 4.74 0.00 3.08 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 79 S 8.42 4.73 0.00 3.72 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 80 F 8.09 4.63 0.00 1.85 2.39 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 81 F 8.83 5.13 0.00 2.90 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 82 V 8.31 4.38 2.11 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 1.18 0.00 0.00 1.28 0.00 0.00 83 D 8.93 4.97 0.00 2.71 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 84 C 9.04 4.59 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 85 E 9.73 4.27 0.00 1.97 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 2.35 2.38 0.00 86 S 7.47 4.62 0.00 4.00 3.92 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 87 N 8.72 4.25 0.00 2.85 2.85 0.00 0.00 6.74 7.72 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 88 A 8.01 3.95 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 89 Q 8.14 3.80 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 90 I 7.78 3.61 1.85 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 1.48 1.39 0.98 0.00 0.00 91 E 8.35 3.91 0.00 2.21 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 2.32 2.43 0.00 92 R 7.89 3.80 0.00 1.82 1.95 0.00 2.99 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 93 L 8.01 3.72 0.00 1.56 1.45 0.71 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.18 3.94 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 95 E 7.96 3.81 0.00 2.04 2.11 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 2.31 2.32 0.00 96 A 8.02 4.18 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.31 4.17 0.00 1.69 1.70 0.42 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.12 4.69 0.00 4.11 4.18 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 0.00 0.00 0.00 0.00 99 D 7.48 4.41 0.00 2.77 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 0.00 100 G 9.02 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 0.00 0.00 0.00 101 G 7.83 4.75 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 0.00 0.00 0.00 102 K 9.22 4.73 0.00 1.81 1.69 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.42 7.81 103 A 8.72 4.66 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 0.00 104 L 8.56 4.09 0.00 1.72 1.59 0.88 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 *106 P 0.00 4.34 0.00 2.07 2.10 0.00 3.93 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 2.19 0.00 107 L 8.70 4.19 0.00 1.67 1.65 1.00 0.98 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 0.00 108 G 8.77 3.84 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 0.00 0.00 0.00 109 D 8.56 5.00 0.00 2.63 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 0.00 110 Y 8.49 4.27 0.00 2.47 2.94 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 0.00 111 G 8.41 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 0.00 0.00 0.00 112 F 6.85 4.83 0.00 3.08 3.18 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 0.00 0.00 0.00 0.00 113 S 7.05 4.56 0.00 4.30 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 0.00 114 Q 8.58 4.20 0.00 2.15 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.63 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 115 R 7.82 5.03 0.00 1.76 1.79 0.00 3.35 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 116 F 9.59 5.51 0.00 3.16 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 0.00 117 A 7.95 4.94 1.14 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 0.00 0.00 118 W 8.78 4.90 0.00 3.61 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 0.00 119 L 9.28 5.46 0.00 1.74 1.68 1.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 120 A 9.07 5.49 1.43 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 0.00 0.00 121 D 9.74 5.54 0.00 3.31 3.25 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 0.00 122 R 8.28 4.12 0.00 1.55 1.94 0.00 2.21 0.00 0.00 2.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.50 0.00 123 F 8.60 4.64 0.00 3.57 3.56 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 0.00 0.00 0.00 0.00 124 G 8.62 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 0.00 125 V 7.96 3.59 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 0.77 0.00 0.00 0.33 0.00 0.00 126 S 8.57 5.25 0.00 4.02 3.98 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 0.00 127 W 9.66 4.91 0.00 3.16 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 0.00 128 Q 8.95 4.42 0.00 1.59 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.76 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 129 L 8.10 4.86 0.00 1.31 1.40 0.82 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 130 N 8.87 5.49 0.00 2.65 2.65 0.00 0.00 6.25 7.27 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 0.00 131 L 9.07 5.02 0.00 1.78 1.57 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 132 A 8.82 4.42 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 0.00 133 G 8.58 3.75 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.