NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9387 8.3549 109.7382 45.3171 0.0000 173.6710 2 E 4.3635 7.8958 118.6516 53.7453 31.4222 174.9203 3 K 4.3980 8.5189 121.9564 56.1420 33.8943 177.9072 4 I 3.7432 8.5380 122.5001 64.2603 37.8032 178.4534 5 T 4.1089 8.0672 110.1330 64.5196 68.4462 176.1773 6 K 4.1226 8.3464 121.7160 59.0559 31.7432 179.3162 7 V 3.7318 7.7715 119.0470 64.6849 31.3258 177.6978 8 Y 4.2167 7.9206 116.7469 60.1683 37.5586 176.8036 9 E 4.4522 8.1882 118.2913 57.0942 29.9238 177.8714 10 L 3.9772 8.0581 118.2590 55.9966 41.9160 176.2554 11 G 4.1973 6.9498 105.0875 46.0116 0.0000 172.3800 12 N 5.0486 8.4493 114.6487 51.8835 38.0001 174.5801 13 E 4.0450 8.3254 117.8634 57.1785 30.1746 176.3429 14 P 4.3404 0.0000 0.0000 65.7078 31.6918 177.2706 15 E 4.3087 8.1210 113.8681 57.3874 30.6497 178.3838 16 R 2.5106 7.8622 120.7775 58.9823 29.8977 177.9251 17 K 4.0854 7.9800 118.8760 59.6594 32.1216 178.2088 18 L 4.0087 7.9505 119.9338 57.8603 42.0534 178.4290 19 W 4.1365 8.2616 128.3132 60.5648 30.6399 178.1355 20 V 3.6019 8.4876 118.5486 66.0242 30.9494 177.5590 21 D 4.4805 8.5074 118.9279 57.6554 40.6523 179.1896 22 R 3.9250 8.2698 118.7007 59.2493 29.8393 178.5271 23 Y 2.4888 7.3577 118.4379 60.2586 38.6952 177.8465 24 L 3.6803 7.6989 118.7573 57.7987 41.9430 179.4231 25 T 4.0078 7.6035 115.4280 66.2815 68.2198 176.8927 26 F 4.0662 7.9585 118.9520 59.3748 39.1462 176.0121 *28 E 4.1098 8.1099 119.6684 55.8261 31.0324 177.6163 29 E 3.9399 8.0115 117.1748 58.4680 29.6012 177.7427 30 R 3.9727 7.2125 113.6229 56.1709 29.9379 177.2760 31 G 3.8586 8.0508 107.8414 45.4464 0.0000 174.0933 32 S 4.7031 7.1954 111.4511 55.9516 62.8061 172.6069 33 P 4.1551 0.0000 0.0000 63.5333 32.0725 176.2703 34 V 4.3651 8.1400 120.3155 61.6443 32.9035 175.1468 35 S 4.7753 8.7190 122.3354 58.7619 65.4591 174.0215 36 S 5.3051 7.9283 113.5101 56.1348 66.4674 173.9948 37 L 4.1604 8.7997 123.3345 54.1313 42.0001 175.7513 38 P 4.4789 0.0000 0.0000 62.5908 32.6435 175.1458 39 A 4.9587 8.2540 122.7133 50.6566 22.5097 175.9624 40 V 4.2923 8.2628 118.9797 61.7634 34.2353 175.8466 41 G 3.7891 8.3492 118.0850 47.3307 0.0000 173.6316 42 K 4.3916 8.8470 123.1811 55.4686 32.2958 175.1531 43 K 4.4285 7.9465 122.0010 53.7864 32.8600 173.9587 44 P 4.7399 0.0000 0.0000 62.4240 31.8874 175.8829 45 L 4.3022 8.7291 123.8616 53.7177 42.3986 177.3852 46 D 4.5505 8.4724 123.4469 53.4605 40.5045 176.0601 47 L 3.9821 8.3049 127.2995 57.3444 41.7061 178.9319 48 F 2.6263 7.9757 120.0574 60.8922 39.3367 177.2551 49 R 3.5548 7.9613 117.3169 58.9639 29.7785 178.7951 50 L 3.9222 7.9214 120.1135 58.2885 41.9830 178.3880 51 Y 4.0963 7.9529 119.4731 60.7106 38.7362 178.2330 52 V 3.3873 7.4514 119.1745 66.1493 31.2646 177.8469 53 C 4.0274 8.1539 116.8311 62.7297 27.8422 176.3020 54 V 3.2506 7.7946 120.0192 65.5429 30.9371 178.0317 55 K 3.7232 7.9290 119.6862 59.3136 31.7380 178.5740 56 E 3.8962 7.7887 118.1514 59.5532 29.4357 179.1625 57 I 3.8672 7.0538 118.6089 63.0728 37.1423 176.4198 58 G 3.7005 7.9578 107.2952 45.1334 0.0000 174.2992 59 G 3.8924 8.6364 106.8465 44.3593 0.0000 174.7135 60 L 3.7910 9.2895 119.7286 58.4468 41.7805 178.9976 61 A 3.9824 8.0658 119.6775 55.4194 18.3030 179.5016 62 Q 3.8718 7.9009 116.0066 58.9668 28.8856 178.8433 63 V 3.2036 7.7247 119.4523 65.6659 31.3307 177.9313 64 N 4.4233 8.2329 116.3910 56.1933 38.2330 177.2611 65 K 3.9210 7.8555 119.5899 59.4932 32.4556 177.8260 66 N 4.5017 8.0395 113.1183 52.2673 39.6971 174.9133 67 K 3.7855 7.3386 118.9992 57.6249 30.2099 175.9671 68 K 4.3446 7.7225 114.6882 56.1931 32.6402 178.3324 69 W 4.2089 7.7108 121.9909 59.7734 28.9427 178.2343 70 R 3.9551 8.0585 118.4200 59.1451 29.5567 178.0268 71 E 3.8925 8.0724 118.7802 59.2245 29.7724 178.5988 72 L 3.9257 8.0321 118.8350 57.8219 41.6142 179.4236 73 A 4.0891 8.3955 120.9036 55.3294 18.3584 179.9176 74 T 3.8981 8.1201 114.3130 67.0650 68.4169 176.8830 75 N 4.4656 8.4130 116.9924 55.3842 38.5613 176.4629 76 L 4.4367 7.7496 118.2797 53.3518 42.0779 175.7043 77 N 4.1994 7.7496 116.0063 54.6592 37.8929 175.4583 78 V 3.8586 8.4568 118.5311 62.3652 32.0666 176.1104 79 G 4.3447 7.0496 109.9663 45.4909 0.0000 171.8236 80 T 4.4280 7.9872 108.8057 61.1404 69.9403 175.1863 81 S 4.5743 7.5652 118.2762 57.6511 65.9306 174.7434 82 S 4.1594 8.4521 116.2754 61.4162 62.0545 176.2487 83 S 4.1451 8.0442 116.5547 61.2451 62.8205 176.2054 84 A 3.9499 8.0702 124.1517 54.7257 18.1045 179.4484 85 A 4.0044 7.9344 118.9412 55.6106 18.5430 180.1354 86 S 3.9404 8.1042 113.6442 61.7224 62.8545 177.1715 87 S 4.1056 8.2881 118.1715 61.2933 62.4978 176.4731 88 L 3.9446 8.1012 123.3156 57.9354 41.8244 178.8399 89 K 2.0000 7.4991 119.5366 58.6411 31.7636 178.5771 90 K 3.8064 7.7438 119.7536 59.7379 32.0569 178.8613 91 Q 4.1980 8.1564 118.2670 59.0104 28.4926 178.1306 92 Y 4.0708 8.2396 120.8420 60.7030 38.5224 178.0584 93 I 3.8891 8.0947 120.9159 64.5136 37.0145 178.2752 94 Q 4.0549 8.2864 119.3792 58.9348 28.9977 176.9343 95 Y 4.6264 8.2829 115.5989 58.2932 39.1985 176.4231 96 L 4.9443 8.2497 118.0448 54.3617 44.5384 178.5127 97 F 4.5195 7.9063 121.0408 61.3053 39.2652 176.8653 98 A 3.9220 8.2214 120.0102 55.0955 18.2423 179.2500 99 F 3.3620 8.3130 118.7513 61.0335 39.5242 176.6685 100 E 4.3667 8.5890 120.6181 59.0339 29.4451 178.6476 101 C 3.9861 7.8141 116.5078 62.5658 27.6978 176.0953 102 K 4.4920 7.5442 122.3405 59.2092 31.5702 179.0121 103 I 3.5972 7.3872 119.0380 63.9335 37.0969 177.6543 104 E 4.3816 8.4053 118.3534 57.4142 29.6902 177.4247 105 R 4.4931 7.4250 114.8486 54.8768 31.3522 175.2312 106 G 4.0161 8.3579 103.8764 45.4323 0.0000 173.4550 107 E 3.9360 7.9591 120.7654 55.7577 29.9022 175.5198 108 E 4.3902 8.2814 129.0198 54.0042 30.1834 172.5869 109 P 4.0689 0.0000 0.0000 60.9882 30.2708 173.1118 110 P 4.0955 0.0000 0.0000 61.3918 30.9084 171.3917 111 P 4.1083 0.0000 0.0000 62.1826 30.6850 173.6288 112 E 4.2387 8.8588 123.2740 55.8884 27.2478 172.7411 113 V 4.0906 6.8614 117.1762 59.5329 35.8100 175.6391 114 F 4.4936 6.9422 123.4801 57.6097 38.5366 176.0894 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 G 8.35 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 0.00 0.00 0.00 2 E 7.90 4.36 0.00 2.09 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 2.35 2.34 0.00 3 K 8.52 4.40 0.00 1.85 1.76 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.45 7.81 4 I 8.54 3.74 1.89 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 1.63 1.50 1.01 0.00 0.00 5 T 8.07 4.11 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 6 K 8.35 4.12 0.00 1.92 1.93 0.00 1.71 0.00 0.00 1.99 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.58 1.62 7.81 7 V 7.77 3.73 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 0.63 0.00 0.00 0.95 0.00 0.00 8 Y 7.92 4.22 0.00 3.16 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 9 E 8.19 4.45 0.00 2.19 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 0.00 2.32 2.43 0.00 10 L 8.06 3.98 0.00 1.64 1.75 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 11 G 6.95 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.45 5.05 0.00 2.79 2.85 0.00 0.00 6.03 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 13 E 8.33 4.05 0.00 2.08 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 2.57 2.49 0.00 14 P 0.00 4.34 0.00 2.07 2.16 0.00 3.71 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 2.06 2.12 0.00 15 E 8.12 4.31 0.00 2.33 2.32 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 2.66 2.49 0.00 16 R 7.86 2.51 0.00 1.01 1.76 0.00 3.14 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.82 0.00 17 K 7.98 4.09 0.00 1.88 1.86 0.00 1.83 0.00 0.00 1.96 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.69 1.47 7.81 18 L 7.95 4.01 0.00 1.87 1.75 0.97 1.01 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 19 W 8.26 4.14 0.00 3.79 3.42 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 20 V 8.49 3.60 1.85 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 0.37 0.00 0.00 1.06 0.00 0.00 21 D 8.51 4.48 0.00 3.03 2.76 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 22 R 8.27 3.93 0.00 1.97 2.09 0.00 3.18 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 23 Y 7.36 2.49 0.00 1.43 2.15 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 24 L 7.70 3.68 0.00 1.56 1.62 0.92 0.77 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 25 T 7.60 4.01 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 26 F 7.96 4.07 0.00 3.18 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 *28 E 8.11 4.11 0.00 1.96 1.85 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 2.20 2.27 0.00 29 E 8.01 3.94 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 2.27 2.47 0.00 30 R 7.21 3.97 0.00 1.60 1.50 0.00 2.21 0.00 0.00 2.70 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.29 0.00 31 G 8.05 3.86 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 0.00 0.00 0.00 32 S 7.20 4.70 0.00 3.82 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 33 P 0.00 4.16 0.00 2.15 2.02 0.00 3.75 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 34 V 8.14 4.37 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 1.04 0.00 0.00 1.09 0.00 0.00 35 S 8.72 4.78 0.00 3.82 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 36 S 7.93 5.31 0.00 3.73 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 37 L 8.80 4.16 0.00 1.47 1.57 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.48 0.00 1.62 1.13 0.00 3.31 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 0.98 0.87 0.00 39 A 8.25 4.96 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.26 4.29 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 0.98 0.00 0.00 0.95 0.00 0.00 41 G 8.35 3.79 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 0.00 0.00 0.00 42 K 8.85 4.39 0.00 1.75 1.82 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.40 7.81 43 K 7.95 4.43 0.00 1.78 1.80 0.00 1.83 0.00 0.00 1.66 0.00 0.00 3.21 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.38 7.81 44 P 0.00 4.74 0.00 2.08 1.96 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 2.03 2.10 0.00 45 L 8.73 4.30 0.00 1.59 1.59 0.93 1.03 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 46 D 8.47 4.55 0.00 2.72 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.30 3.98 0.00 1.75 1.69 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 48 F 7.98 2.63 0.00 2.72 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 49 R 7.96 3.55 0.00 1.99 1.89 0.00 3.21 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 50 L 7.92 3.92 0.00 1.82 1.88 1.13 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.95 4.10 0.00 3.22 2.56 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 52 V 7.45 3.39 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 0.77 0.00 0.00 -0.12 0.00 0.00 53 C 8.15 4.03 0.00 2.87 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 54 V 7.79 3.25 1.89 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 0.46 0.00 0.00 0.53 0.00 0.00 55 K 7.93 3.72 0.00 1.61 1.78 0.00 1.90 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.37 1.40 7.81 56 E 7.79 3.90 0.00 2.08 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 2.27 2.45 0.00 57 I 7.05 3.87 1.74 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.41 0.69 0.00 0.00 58 G 7.96 3.70 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 0.00 0.00 0.00 59 G 8.64 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 0.00 0.00 0.00 60 L 9.29 3.79 0.00 1.98 1.77 1.19 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.07 3.98 1.36 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 0.00 0.00 0.00 0.00 0.00 62 Q 7.90 3.87 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 63 V 7.72 3.20 1.46 0.00 0.00 0.00 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 0.33 0.00 0.00 64 N 8.23 4.42 0.00 2.98 2.90 0.00 0.00 6.63 6.52 0.00 0.00 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 K 7.86 3.92 0.00 1.79 1.93 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.47 7.81 66 N 8.04 4.50 0.00 2.72 2.74 0.00 0.00 7.22 7.16 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 67 K 7.34 3.79 0.00 1.84 1.85 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.47 7.81 68 K 7.72 4.34 0.00 1.41 1.53 0.00 1.46 0.00 0.00 1.48 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.24 1.45 7.81 69 W 7.71 4.21 0.00 3.40 3.34 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 70 R 8.06 3.96 0.00 1.93 1.94 0.00 3.21 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 71 E 8.07 3.89 0.00 2.02 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 2.31 2.36 0.00 72 L 8.03 3.93 0.00 1.91 1.73 0.33 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 73 A 8.40 4.09 1.40 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 0.00 0.00 0.00 74 T 8.12 3.90 4.39 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 1.21 0.00 0.00 75 N 8.41 4.47 0.00 2.70 2.85 0.00 0.00 7.08 7.40 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 76 L 7.75 4.44 0.00 1.71 1.70 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 77 N 7.75 4.20 0.00 2.88 2.87 0.00 0.00 7.02 7.54 0.00 0.00 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 V 8.46 3.86 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 0.83 0.00 0.00 0.96 0.00 0.00 79 G 7.05 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 80 T 7.99 4.43 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 1.22 0.00 0.00 81 S 7.57 4.57 0.00 4.07 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 82 S 8.45 4.16 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 83 S 8.04 4.15 0.00 4.08 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 84 A 8.07 3.95 1.41 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 85 A 7.93 4.00 1.49 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 0.00 0.00 86 S 8.10 3.94 0.00 3.85 3.85 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 87 S 8.29 4.11 0.00 3.98 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 88 L 8.10 3.94 0.00 1.89 1.86 1.03 0.86 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 89 K 7.50 2.00 0.00 0.79 1.22 0.00 1.20 0.00 0.00 1.24 0.00 0.00 2.75 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.91 0.40 7.81 90 K 7.74 3.81 0.00 1.85 1.93 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.60 7.81 91 Q 8.16 4.20 0.00 2.33 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.63 2.56 0.00 92 Y 8.24 4.07 0.00 3.30 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 93 I 8.09 3.89 2.02 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 1.37 0.84 0.96 0.00 0.00 94 Q 8.29 4.05 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 1.69 2.18 0.00 95 Y 8.28 4.63 0.00 3.18 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 96 L 8.25 4.94 0.00 0.82 1.59 1.11 0.98 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 97 F 7.91 4.52 0.00 3.37 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 98 A 8.22 3.92 1.61 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 0.00 0.00 99 F 8.31 3.36 0.00 3.05 3.31 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 0.00 100 E 8.59 4.37 0.00 2.47 2.31 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 2.43 2.36 0.00 101 C 7.81 3.99 0.00 2.97 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 0.00 102 K 7.54 4.49 0.00 1.66 1.40 0.00 1.74 0.00 0.00 1.33 0.00 0.00 3.17 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.18 1.26 7.81 103 I 7.39 3.60 1.53 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 -0.36 0.81 0.00 0.00 104 E 8.41 4.38 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 2.56 2.54 0.00 105 R 7.43 4.49 0.00 1.86 1.87 0.00 3.38 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 106 G 8.36 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 0.00 107 E 7.96 3.94 0.00 2.09 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 2.28 2.29 0.00 108 E 8.28 4.39 0.00 1.92 1.82 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 2.18 2.28 0.00 109 P 0.00 4.07 0.00 2.14 1.85 0.00 3.84 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.65 0.00 110 P 0.00 4.10 0.00 2.08 1.93 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.63 0.00 111 P 0.00 4.11 0.00 2.08 1.93 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.63 0.00 112 E 8.86 4.24 0.00 1.98 1.83 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 2.24 1.89 0.00 113 V 6.86 4.09 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 0.96 0.00 0.00 0.93 0.00 0.00 114 F 6.94 4.49 0.00 3.15 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 * Residues marked with a * may have inaccurate shift predictions.