NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.8821 8.2816 114.7923 59.1945 63.6350 170.5197 2 I 2.6174 7.7386 127.5406 61.3766 37.4782 173.4008 3 Q 4.0731 7.9392 125.6793 58.3608 30.2111 177.2941 4 A 4.0854 7.6370 119.7111 53.9603 19.3043 177.6983 5 E 3.4983 7.7210 117.3951 56.0023 29.4688 178.0973 6 E 3.8380 8.2949 122.4432 58.4964 30.0455 177.4546 7 W 4.7012 7.1114 115.2751 57.0097 29.9357 175.0136 8 Y 5.2997 7.7730 124.0540 56.9676 38.8693 175.4901 9 F 4.2679 9.3164 126.1022 55.4872 39.8241 178.3262 10 G 3.3547 6.0681 108.5323 46.6406 0.0000 176.4802 11 K 4.5245 8.5890 123.8662 54.5211 30.5256 175.0710 12 I 4.6796 7.5954 116.3473 57.8758 40.9116 176.5954 13 T 4.3255 8.1108 112.6545 61.0110 71.1570 175.6976 14 R 3.7705 9.3712 121.3441 59.5554 29.9364 178.4988 15 R 3.8857 7.8869 118.0325 59.2981 30.1676 177.9375 16 E 3.9251 8.3601 119.4421 59.2330 29.5916 178.8017 17 S 4.0574 8.1964 114.3876 61.7051 62.8552 176.4391 18 E 3.9477 8.3252 122.1553 58.8787 28.9320 179.2156 19 R 3.8770 7.8721 118.1178 59.5018 30.2273 178.3451 20 L 4.1479 7.7558 117.5213 57.7745 41.8529 179.1512 21 L 4.2279 8.2847 118.9032 56.8966 41.3097 178.3534 22 L 4.5926 7.7002 117.5276 53.9137 41.9738 175.9867 23 N 4.5088 7.6407 119.1934 52.7684 39.4600 175.8497 24 A 4.0760 8.7898 128.6191 55.4399 18.5212 178.3956 25 E 4.0779 8.3894 114.0387 58.4684 29.7574 176.9801 26 N 4.4843 8.1668 118.2694 52.0676 38.8832 173.5171 27 P 4.5472 0.0000 0.0000 61.4113 32.7935 175.6304 28 R 3.9654 8.0709 117.6404 57.7751 30.3830 177.7072 29 G 4.1276 9.0638 109.5535 46.4495 0.0000 173.4715 30 T 4.7430 7.5667 117.6874 63.9744 69.7327 173.4331 31 F 5.5037 8.9642 119.8070 56.1798 42.1639 172.5718 32 L 4.6923 8.7381 117.3862 54.8545 43.8751 174.0278 33 V 5.0242 9.2596 120.7884 61.3927 34.3572 174.5920 34 R 4.9130 8.5367 122.2174 54.6443 32.8430 174.1383 35 E 4.5695 8.9756 119.3684 56.2187 30.1095 177.5330 36 S 4.3917 8.2185 117.5183 58.0364 63.2203 174.4501 37 E 4.1835 8.7893 125.9463 58.9953 29.3967 177.8661 38 T 4.4554 7.6989 104.0929 60.9143 70.5081 173.6319 39 T 4.3254 8.2298 121.2298 61.4792 68.2557 174.3160 40 K 4.0900 8.3838 126.2893 57.8510 33.0383 178.2816 41 G 3.7307 8.6094 107.7007 45.8211 0.0000 173.2740 42 A 4.7035 7.3393 122.4451 50.7472 21.9490 175.5004 43 Y 5.0947 8.3009 118.6549 57.6163 41.7117 176.0806 *45 L 4.5982 8.4090 127.6817 56.3776 43.8313 176.1521 46 S 5.1917 9.0841 123.6011 56.9368 65.1885 173.6852 47 V 5.1303 8.8830 124.6552 61.0660 34.8865 174.5511 48 S 5.0305 9.2176 122.6350 57.9880 65.0657 172.4616 49 D 5.2762 9.0950 121.1274 53.1736 45.5728 173.5373 50 F 5.5217 8.7735 120.7746 58.0403 42.3717 172.4231 51 D 4.6418 7.3917 123.8078 52.0796 42.5576 175.8310 52 N 4.4262 8.6979 115.5885 55.6608 39.0127 177.1408 53 A 4.0524 8.0786 120.6192 54.7894 18.5679 178.3828 54 K 4.2485 8.6402 112.6041 55.3541 34.5170 178.6398 55 G 3.2466 7.8233 107.8184 44.4498 0.0000 171.7510 56 L 4.8807 8.5013 123.3899 55.3923 42.8417 177.2825 57 N 5.0654 9.1441 122.6040 51.9418 41.5180 172.9989 58 V 4.9104 8.1926 117.6791 61.0395 34.6125 174.5149 59 K 4.5515 9.0459 125.9801 54.7613 35.6921 174.6709 60 H 5.1818 8.1445 119.1357 54.1462 31.6445 172.6528 61 Y 4.8271 8.7100 120.2540 56.0639 41.1563 175.2243 62 K 4.6534 8.7586 122.4125 55.6323 34.3092 175.5624 63 I 4.7106 8.8885 126.4396 59.8187 39.0837 175.2948 64 R 4.3765 8.8383 127.3217 55.2385 31.7779 175.8348 65 K 4.4660 8.0530 122.4939 54.5533 34.6952 175.8449 66 L 4.4014 8.5025 127.8356 53.9903 42.7520 177.8923 67 D 4.3719 8.4696 120.6594 57.3997 40.9914 178.2720 68 S 4.1752 7.9453 113.7044 59.7167 62.9981 173.7030 69 G 4.1703 8.0511 108.5836 45.5725 0.0000 174.9376 70 G 3.9936 8.0552 105.7148 46.3031 0.0000 172.5811 71 F 5.5207 9.2562 120.5501 55.7756 42.4521 174.0773 72 Y 5.1995 8.4725 118.7394 57.2405 41.0599 175.0251 73 I 4.3601 9.0279 120.2056 62.2927 38.5914 176.1035 74 T 4.7138 7.8308 114.7038 59.7368 68.9174 174.9408 75 S 2.7900 8.5801 123.3220 60.7669 62.8474 175.5945 76 R 3.9603 7.3343 118.2382 57.8356 29.9554 176.8372 77 T 4.1528 7.6947 114.0598 61.4176 69.4897 172.9974 78 Q 4.8210 7.6676 123.8064 53.8414 31.6438 175.2885 79 F 4.9021 8.7495 117.5532 55.8008 42.7252 176.1716 80 N 4.7016 8.9956 120.0049 55.4002 39.0599 175.7296 81 S 4.5140 7.7471 111.8609 55.8167 67.3405 174.9277 82 L 3.4150 7.2728 123.8377 58.0282 41.7705 179.0835 83 Q 4.1346 7.9149 117.6278 59.2822 28.7041 178.8038 84 Q 3.9878 8.0514 118.9436 58.4869 28.6963 178.5517 85 L 2.4400 7.4123 121.5071 57.5805 41.9951 179.1593 86 V 3.1924 7.5683 118.1349 65.8315 31.1121 177.8193 87 A 3.8889 7.6453 119.3802 55.0822 18.4690 178.7685 88 Y 3.9414 7.7981 118.1153 61.0125 38.8792 177.4070 89 Y 4.5139 7.6212 117.1303 58.9688 37.8050 177.3887 90 S 4.5911 7.3168 116.9695 58.9346 63.2318 174.6977 91 K 4.2406 7.5948 119.8433 56.4729 33.3933 176.2066 92 H 4.6772 7.4359 115.3971 53.5896 31.3020 174.5780 93 A 4.0628 8.6902 127.2686 53.8213 19.8420 179.1654 94 D 4.2853 7.7071 113.2689 55.9983 40.2362 174.9366 95 G 3.9551 8.9057 116.4116 46.3129 0.0000 173.3183 96 L 3.9444 7.8587 121.2061 53.6416 42.3456 177.8996 97 C 4.1943 8.8122 116.0918 61.4418 29.7203 173.4045 98 H 4.4744 7.1489 116.7492 54.9034 32.6158 173.5162 99 R 4.1562 7.6956 120.4632 55.6094 30.1836 175.9540 100 L 4.2681 8.6204 121.1152 55.2687 41.7752 176.0485 101 T 4.4949 8.7409 112.6262 62.7179 70.5203 173.8525 102 T 4.7950 7.7421 116.8381 58.8599 71.0036 172.4955 103 V 3.5112 8.4434 128.2433 62.4641 32.3890 175.0947 104 C 4.1305 8.5476 129.2257 59.1628 31.6851 171.8538 105 P 4.5178 0.0000 0.0000 62.6737 31.8319 176.4405 106 T 4.2971 8.3981 110.1847 62.0107 69.0235 174.6376 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 S 8.28 4.88 0.00 3.95 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 2 I 7.74 2.62 1.56 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 1.03 0.34 0.00 0.00 3 Q 7.94 4.07 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 4 A 7.64 4.09 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 5 E 7.72 3.50 0.00 1.16 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 1.90 1.52 0.00 6 E 8.29 3.84 0.00 1.97 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 2.30 2.24 0.00 7 W 7.11 4.70 0.00 3.43 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 8 Y 7.77 5.30 0.00 2.84 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 9 F 9.32 4.27 0.00 2.69 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 G 6.07 3.35 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 0.00 11 K 8.59 4.52 0.00 1.92 1.78 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.61 7.81 12 I 7.60 4.68 1.91 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 1.52 0.86 0.98 0.00 0.00 13 T 8.11 4.33 4.40 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 1.21 0.00 0.00 14 R 9.37 3.77 0.00 1.72 1.98 0.00 3.02 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.26 0.00 15 R 7.89 3.89 0.00 1.90 1.90 0.00 3.23 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 16 E 8.36 3.93 0.00 2.14 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 0.00 2.34 2.39 0.00 17 S 8.20 4.06 0.00 4.02 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 18 E 8.33 3.95 0.00 2.20 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 0.00 2.36 2.51 0.00 19 R 7.87 3.88 0.00 1.91 2.11 0.00 3.27 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 20 L 7.76 4.15 0.00 1.77 1.66 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.28 4.23 0.00 1.69 1.69 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.70 4.59 0.00 1.69 1.69 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.64 4.51 0.00 2.69 2.69 0.00 0.00 7.09 9.28 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 24 A 8.79 4.08 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 25 E 8.39 4.08 0.00 2.10 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 0.00 2.33 2.36 0.00 26 N 8.17 4.48 0.00 2.80 2.77 0.00 0.00 7.00 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 27 P 0.00 4.55 0.00 2.18 2.15 0.00 3.70 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 28 R 8.07 3.97 0.00 1.47 1.68 0.00 3.27 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.65 0.00 29 G 9.06 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 0.00 0.00 0.00 30 T 7.57 4.74 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 1.19 0.00 0.00 31 F 8.96 5.50 0.00 3.23 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 32 L 8.74 4.69 0.00 1.14 1.00 0.74 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 33 V 9.26 5.02 2.77 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 1.35 0.00 0.00 1.06 0.00 0.00 34 R 8.54 4.91 0.00 1.95 1.85 0.00 3.27 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 35 E 8.98 4.57 0.00 1.96 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 2.64 2.62 0.00 36 S 8.22 4.39 0.00 3.81 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.79 4.18 0.00 1.99 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 2.31 2.28 0.00 38 T 7.70 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 39 T 8.23 4.33 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 1.18 0.00 0.00 40 K 8.38 4.09 0.00 1.82 1.79 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.36 7.81 41 G 8.61 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 42 A 7.34 4.70 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 43 Y 8.30 5.09 0.00 3.18 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 *45 L 8.41 4.60 0.00 1.89 1.78 0.99 0.63 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 46 S 9.08 5.19 0.00 3.78 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 47 V 8.88 5.13 2.29 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 1.14 0.00 0.00 1.13 0.00 0.00 48 S 9.22 5.03 0.00 3.93 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 49 D 9.10 5.28 0.00 2.79 2.53 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 50 F 8.77 5.52 0.00 3.09 2.88 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 51 D 7.39 4.64 0.00 2.66 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 52 N 8.70 4.43 0.00 2.71 2.90 0.00 0.00 6.87 7.35 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 53 A 8.08 4.05 1.26 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 54 K 8.64 4.25 0.00 1.56 1.77 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.28 7.81 55 G 7.82 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 0.00 0.00 0.00 56 L 8.50 4.88 0.00 1.93 1.71 1.10 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 57 N 9.14 5.07 0.00 2.81 2.84 0.00 0.00 5.97 7.30 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 58 V 8.19 4.91 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 0.71 0.00 0.00 0.91 0.00 0.00 59 K 9.05 4.55 0.00 1.57 1.12 0.00 1.55 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.56 7.81 60 H 8.14 5.18 0.00 2.86 3.08 0.00 5.64 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 61 Y 8.71 4.83 0.00 2.80 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 K 8.76 4.65 0.00 1.73 1.76 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.44 7.81 63 I 8.89 4.71 2.17 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 1.33 0.89 1.23 0.00 0.00 64 R 8.84 4.38 0.00 0.67 1.40 0.00 3.15 0.00 0.00 3.07 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.62 0.00 65 K 8.05 4.47 0.00 1.38 1.62 0.00 1.12 0.00 0.00 0.61 0.00 0.00 2.86 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.17 1.27 7.81 66 L 8.50 4.40 0.00 1.71 1.61 1.03 1.28 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 67 D 8.47 4.37 0.00 2.65 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 68 S 7.95 4.18 0.00 3.86 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 69 G 8.05 4.17 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 0.00 70 G 8.06 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 71 F 9.26 5.52 0.00 3.18 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 72 Y 8.47 5.20 0.00 3.43 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 73 I 9.03 4.36 1.92 0.00 0.00 0.38 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 1.53 0.95 0.00 0.00 74 T 7.83 4.71 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 1.31 0.00 0.00 75 S 8.58 2.79 0.00 3.48 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.33 3.96 0.00 1.77 1.95 0.00 3.07 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 77 T 7.69 4.15 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 0.76 0.00 0.00 78 Q 7.67 4.82 0.00 1.84 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.78 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 79 F 8.75 4.90 0.00 3.24 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 80 N 9.00 4.70 0.00 3.08 2.98 0.00 0.00 6.75 7.57 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 81 S 7.75 4.51 0.00 4.05 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 82 L 7.27 3.41 0.00 0.86 1.47 0.83 0.64 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 83 Q 7.91 4.13 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.59 2.89 0.00 84 Q 8.05 3.99 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 85 L 7.41 2.44 0.00 1.56 1.63 1.22 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.57 3.19 1.64 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 0.33 0.00 0.00 0.01 0.00 0.00 87 A 7.65 3.89 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 88 Y 7.80 3.94 0.00 2.84 2.26 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 89 Y 7.62 4.51 0.00 2.97 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 90 S 7.32 4.59 0.00 3.84 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 91 K 7.59 4.24 0.00 1.54 1.52 0.00 1.53 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.39 7.81 92 H 7.44 4.68 0.00 2.55 3.16 0.00 5.61 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 93 A 8.69 4.06 1.26 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 94 D 7.71 4.29 0.00 3.10 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 0.00 0.00 0.00 95 G 8.91 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 0.00 0.00 0.00 96 L 7.86 3.94 0.00 1.61 1.24 0.38 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 97 C 8.81 4.19 0.00 3.36 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 98 H 7.15 4.47 0.00 3.05 3.18 0.00 5.75 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 7.70 4.16 0.00 2.05 1.93 0.00 3.24 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 100 L 8.62 4.27 0.00 1.21 0.42 0.21 0.43 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 0.00 101 T 8.74 4.49 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 1.37 0.00 0.00 102 T 7.74 4.80 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 1.26 0.00 0.00 103 V 8.44 3.51 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 0.85 0.00 0.00 0.99 0.00 0.00 104 C 8.55 4.13 0.00 2.86 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.52 0.00 2.11 1.99 0.00 3.72 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 106 T 8.40 4.30 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.