NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4267 8.1476 120.3196 55.5698 34.6303 177.0653 2 V 3.3580 7.8904 118.7432 63.3686 30.8450 176.7256 3 Q 3.6345 8.6194 119.8895 58.5634 28.8653 179.4914 4 R 3.9837 7.8180 119.7184 58.9465 30.2543 178.6737 5 L 3.8637 7.9571 118.8751 57.9466 41.6000 179.6454 6 T 3.9981 7.3538 108.5183 65.1821 68.3495 176.1138 7 Y 4.3605 7.6961 118.9124 60.6856 38.0275 178.1898 8 R 4.1414 8.6016 118.4910 58.9433 30.6270 178.4517 9 K 4.4671 7.5488 114.7051 54.8877 32.4300 175.6085 10 R 4.1062 7.4596 119.8820 58.9549 31.4511 172.9960 11 H 4.3820 10.0496 122.6260 55.4847 25.6029 179.0522 12 S 3.5309 5.9179 115.0649 56.4578 65.4355 173.0144 13 Y 4.9176 9.5416 113.3147 59.3485 36.0324 169.7429 14 A 4.1619 8.1496 121.3629 55.5631 18.0449 178.4772 15 T 4.1408 7.4840 104.7654 63.0060 70.0807 174.3787 16 K 4.4104 7.7791 119.4238 54.2561 34.2156 176.9693 17 S 4.6909 8.1619 116.3200 58.1033 63.9002 171.6973 18 N 4.8335 9.3110 113.9247 51.2297 38.4728 173.3941 19 Q 3.9746 9.7649 117.2081 57.1385 26.5244 172.6439 20 T 3.6997 7.7458 112.2947 59.4691 68.3712 173.1958 21 R 4.8476 8.1629 124.2418 53.9797 34.2951 174.9314 22 V 4.6832 8.4046 122.5887 60.6537 32.8337 175.9139 23 V 4.3144 7.9870 122.1493 60.0880 33.2634 174.8575 24 K 4.4565 8.5826 126.9656 55.5061 33.7055 177.9577 *25 T 4.2317 7.8231 116.5836 59.5652 69.6789 172.6653 *26 P 4.4517 0.0000 0.0000 66.4958 31.6075 171.9690 27 G 4.2567 8.6667 111.0890 42.8798 0.0000 176.7658 28 G 3.7819 9.0986 114.8417 45.2372 0.0000 172.3894 29 K 4.8951 8.5958 126.8534 57.0198 32.1553 175.9068 30 L 5.1287 7.3368 121.2506 54.5135 43.7976 172.4012 31 V 4.8795 7.7509 113.7819 59.8431 34.6459 174.3041 32 Y 4.7814 8.4602 125.0851 56.0359 40.5130 174.7912 33 Q 4.2720 8.4981 126.1333 57.1472 29.5405 174.4874 34 Y 4.1299 9.4807 119.7137 56.8819 38.5208 166.8694 35 T 4.4597 9.2175 112.6665 63.7181 72.2673 173.9572 36 K 4.9454 7.1312 118.6300 59.4122 30.5195 174.3369 37 K 4.9712 7.2837 135.0000 57.7023 32.8904 175.0588 38 R 4.5199 7.2278 115.7261 55.7429 30.6434 176.5292 39 A 4.5560 8.1094 117.6961 52.9755 18.9366 181.7914 40 S 3.9083 7.3682 112.3613 60.6214 64.2262 175.5268 41 G 3.9183 7.2395 106.5143 44.5474 0.0000 171.4881 42 P 4.4580 0.0000 0.0000 63.3773 31.9805 175.3895 43 K 5.2038 7.9615 121.7790 56.9201 32.8299 173.7950 44 C 4.2677 8.1341 121.5839 58.8713 31.7930 172.2243 45 P 4.3278 0.0000 0.0000 65.5087 31.5121 177.5681 46 V 4.5658 7.4689 107.1566 60.8072 32.0313 173.5776 47 T 4.8019 7.7371 112.6857 60.0034 71.1026 173.4849 48 G 3.4583 8.5258 111.7203 47.1449 0.0000 174.2684 49 K 4.5484 7.9116 119.3165 56.1784 32.4307 176.5298 50 K 4.2187 8.4403 123.5903 55.9972 32.6637 178.0016 51 I 3.5978 8.3930 122.4141 63.4531 38.0830 175.9812 52 Q 4.6397 7.0124 118.9958 53.1716 27.9606 175.0049 53 G 3.9529 7.5174 110.2848 45.6042 0.0000 169.6957 54 I 4.5975 7.8599 119.1723 59.5839 41.4085 172.6472 55 P 5.1081 0.0000 0.0000 62.9072 33.3907 172.0251 56 H 4.7786 8.0768 114.3645 54.8522 31.5659 174.3580 57 L 3.5330 7.1021 120.2046 54.1791 39.9780 176.5468 58 R 5.5651 8.1674 131.9054 57.0913 27.6685 173.1158 59 P 4.5026 0.0000 0.0000 62.6575 32.8846 177.9030 60 T 3.1084 8.6718 109.5812 61.1210 69.5826 171.8434 61 E 3.6167 8.6212 121.3380 57.6142 29.9405 176.5097 62 Y 4.9179 8.6144 116.4070 57.5152 41.0305 174.7190 63 K 3.8664 7.9834 122.3056 55.6165 36.3493 177.4762 64 R 3.2881 9.8811 109.5221 57.1639 27.2778 169.9427 65 P 3.8833 0.0000 0.0000 61.8734 31.1970 175.1545 66 R 4.1023 8.2805 120.3243 56.9645 31.2414 175.3878 67 L 3.5132 8.3882 115.0902 56.3629 37.5829 175.9566 68 S 4.6533 9.0317 113.2661 56.5495 65.5197 175.2747 69 R 4.5352 9.1357 120.5816 55.2076 32.5035 172.1528 70 N 4.3758 9.5198 112.0761 54.6028 36.6634 174.1973 71 R 3.7649 7.8377 117.9291 56.4726 28.1567 176.1520 72 R 4.4824 8.1773 122.3395 56.6481 31.9465 176.4578 73 T 4.7505 8.1712 115.0455 60.1921 70.6136 172.8077 74 V 4.6005 8.3860 126.0329 61.0471 34.8108 173.7771 75 N 4.9905 9.1242 126.0769 51.8335 41.2374 173.3159 76 R 4.8838 8.4176 126.3478 54.2914 32.8496 172.9502 77 P 4.6129 0.0000 0.0000 62.6681 33.8774 177.8734 78 Y 3.8027 9.2402 120.2010 59.0876 37.1912 171.9847 79 G 4.3036 8.9596 115.8884 46.9831 0.0000 176.8025 80 G 4.1929 6.2859 119.2416 45.8727 0.0000 173.3637 81 V 4.6694 7.4106 124.4474 61.8407 31.2459 170.1209 82 L 4.4622 8.1472 121.6523 55.3902 46.0541 176.2596 83 S 4.1814 8.2136 115.7709 60.9016 62.6208 176.4094 84 G 3.6552 8.0807 109.1341 46.8952 0.0000 173.4454 85 P 4.2619 0.0000 0.0000 65.2380 31.3234 178.3419 86 A 4.0393 8.6596 119.7902 55.1859 18.2675 179.7036 87 V 3.5031 7.6841 116.2710 66.2921 31.5009 178.3299 88 R 3.8999 8.2556 118.0105 59.4331 29.9019 178.7918 89 E 3.9012 8.6543 118.5123 59.4989 29.0722 179.7025 90 R 3.9265 8.3139 118.3049 59.2481 30.1574 179.1862 91 I 3.3856 8.0885 119.7168 64.3352 37.0631 178.5057 92 I 3.8353 8.3404 121.0903 64.5901 36.9063 178.6097 93 R 3.8867 7.7765 118.1600 59.1587 29.8923 178.8274 94 A 3.9239 7.4775 119.0815 55.2491 18.3963 179.4202 95 F 4.4755 7.7566 116.1278 61.0959 39.0577 177.8973 96 L 4.2770 8.2280 119.7203 57.1842 41.5147 179.6715 97 V 3.6068 8.1748 118.4315 66.2157 31.2296 177.7803 98 E 3.9916 8.0427 116.7298 59.4926 29.0920 178.6309 99 E 4.0662 8.7583 119.5603 59.4013 29.6181 178.5419 100 Q 4.0678 8.1933 119.5084 59.0655 28.7423 178.5439 101 K 4.0665 7.8110 115.4039 57.6326 32.2856 178.8373 102 I 3.9149 7.3885 121.9710 60.3519 35.6173 176.9071 103 V 4.3081 8.1980 110.4008 61.5505 39.3319 177.5285 104 K 3.5227 8.8596 116.8801 57.5481 32.7589 178.2488 105 K 4.6456 8.4985 126.3948 59.8116 33.9969 174.8761 106 V 3.6164 7.2439 116.9636 62.7476 31.4900 174.5152 107 L 4.5705 7.9362 123.8676 54.6699 44.4236 173.8877 108 K 4.5058 7.0623 121.2760 55.8728 30.3330 174.1587 109 I 4.9891 7.3264 120.4206 58.6043 41.1718 174.3353 110 Q 4.6570 9.2979 128.7391 56.1928 30.3444 178.6015 111 K 4.0112 7.9666 119.0905 55.9517 32.9140 174.4499 112 T 3.8164 8.7896 113.4059 63.8540 68.5835 175.7921 113 K 4.1545 8.0940 122.8076 58.0446 34.1341 177.0811 114 E 4.7167 7.7524 118.2083 53.3789 32.7471 174.8467 115 K 4.4657 8.5543 125.1191 55.8634 34.0433 175.2134 116 T 5.2898 8.3706 119.3476 60.4939 70.7282 172.7510 117 T 4.7757 8.3360 116.1422 59.5345 71.4855 174.1682 118 K 4.0864 8.5891 122.8916 56.0691 32.9778 177.1146 119 S 4.2440 8.2048 114.4112 58.7292 62.2946 173.9746 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 M 8.15 4.43 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 2 V 7.89 3.36 1.97 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 0.62 0.00 0.00 0.83 0.00 0.00 3 Q 8.62 3.63 0.00 1.64 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 4 R 7.82 3.98 0.00 2.00 2.06 0.00 3.14 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.77 0.00 5 L 7.96 3.86 0.00 1.79 1.71 0.90 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 6 T 7.35 4.00 4.21 0.00 0.00 0.00 0.00 0.00 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 7 Y 7.70 4.36 0.00 3.04 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 8 R 8.60 4.14 0.00 1.85 2.02 0.00 3.16 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 9 K 7.55 4.47 0.00 1.94 1.73 0.00 1.57 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.36 7.81 10 R 7.46 4.11 0.00 2.00 2.11 0.00 3.27 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.91 0.00 11 H 10.05 4.38 0.00 3.15 2.84 0.00 5.69 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 5.92 3.53 0.00 3.53 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.54 4.92 0.00 3.26 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 14 A 8.15 4.16 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 15 T 7.48 4.14 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 1.22 0.00 0.00 16 K 7.78 4.41 0.00 2.06 2.09 0.00 1.57 0.00 0.00 1.99 0.00 0.00 3.01 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.47 1.62 7.81 17 S 8.16 4.69 0.00 4.00 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 18 N 9.31 4.83 0.00 2.80 3.13 0.00 0.00 7.01 7.69 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 19 Q 9.76 3.97 0.00 2.14 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.34 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 20 T 7.75 3.70 4.56 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 1.29 0.00 0.00 21 R 8.16 4.85 0.00 1.99 1.81 0.00 3.27 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 22 V 8.40 4.68 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 0.74 0.00 0.00 1.00 0.00 0.00 23 V 7.99 4.31 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 0.79 0.00 0.00 0.93 0.00 0.00 24 K 8.58 4.46 0.00 1.80 1.77 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.37 7.81 *25 T 7.82 4.23 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 1.21 0.00 0.00 *26 P 0.00 4.45 0.00 2.08 1.90 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.59 0.00 27 G 8.67 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 28 G 9.10 3.78 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 0.00 0.00 0.00 29 K 8.60 4.90 0.00 1.88 1.74 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.40 7.81 30 L 7.34 5.13 0.00 1.87 1.74 1.10 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.75 4.88 2.14 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 0.71 0.00 0.00 1.02 0.00 0.00 32 Y 8.46 4.78 0.00 3.04 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 33 Q 8.50 4.27 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 5.61 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 34 Y 9.48 4.13 0.00 2.99 3.19 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 35 T 9.22 4.46 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 1.06 0.00 0.00 36 K 7.13 4.95 0.00 1.96 2.19 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.60 7.81 37 K 7.28 4.97 0.00 1.99 2.01 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.22 7.81 38 R 7.23 4.52 0.00 1.77 1.70 0.00 3.16 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 39 A 8.11 4.56 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 40 S 7.37 3.91 0.00 3.94 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 41 G 7.24 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 0.00 0.00 0.00 42 P 0.00 4.46 0.00 2.07 1.96 0.00 3.89 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.06 0.00 43 K 7.96 5.20 0.00 2.05 1.93 0.00 1.26 0.00 0.00 1.84 0.00 0.00 3.17 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.21 1.46 7.81 44 C 8.13 4.27 0.00 2.98 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 45 P 0.00 4.33 0.00 2.09 2.12 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.17 0.00 46 V 7.47 4.57 2.12 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 0.73 0.00 0.00 1.00 0.00 0.00 47 T 7.74 4.80 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 1.23 0.00 0.00 48 G 8.53 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.91 4.55 0.00 1.91 2.07 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.43 7.81 50 K 8.44 4.22 0.00 1.75 1.60 0.00 1.11 0.00 0.00 1.24 0.00 0.00 2.55 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.27 7.81 51 I 8.39 3.60 2.00 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 1.39 0.72 0.85 0.00 0.00 52 Q 7.01 4.64 0.00 1.87 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.40 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 53 G 7.52 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 54 I 7.86 4.60 1.81 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.56 0.87 0.00 0.00 55 P 0.00 5.11 0.00 2.09 1.98 0.00 3.64 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.90 0.00 56 H 8.08 4.78 0.00 3.13 3.18 0.00 5.71 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.10 3.53 0.00 1.83 1.98 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.17 5.57 0.00 2.04 2.17 0.00 3.08 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.44 0.00 59 P 0.00 4.50 0.00 2.06 2.17 0.00 3.84 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 2.02 2.06 0.00 60 T 8.67 3.11 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 1.22 0.00 0.00 61 E 8.62 3.62 0.00 2.09 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 2.23 2.39 0.00 62 Y 8.61 4.92 0.00 2.82 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 63 K 7.98 3.87 0.00 1.65 1.32 0.00 1.73 0.00 0.00 1.44 0.00 0.00 3.04 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.20 1.32 7.81 64 R 9.88 3.29 0.00 1.88 1.98 0.00 3.50 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 65 P 0.00 3.88 0.00 2.21 2.00 0.00 3.62 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.06 0.00 66 R 8.28 4.10 0.00 1.80 1.88 0.00 3.45 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 67 L 8.39 3.51 0.00 1.82 1.80 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 68 S 9.03 4.65 0.00 3.82 3.78 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 69 R 9.14 4.54 0.00 2.30 2.22 0.00 3.04 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.40 0.00 70 N 9.52 4.38 0.00 2.85 3.12 0.00 0.00 6.93 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 71 R 7.84 3.76 0.00 1.57 1.72 0.00 2.60 0.00 0.00 2.99 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.45 0.00 72 R 8.18 4.48 0.00 1.71 1.75 0.00 3.31 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 73 T 8.17 4.75 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 1.27 0.00 0.00 74 V 8.39 4.60 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 0.83 0.00 0.00 0.91 0.00 0.00 75 N 9.12 4.99 0.00 2.76 2.71 0.00 0.00 6.42 7.44 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 76 R 8.42 4.88 0.00 1.74 1.76 0.00 3.45 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 1.53 1.56 0.00 77 P 0.00 4.61 0.00 1.98 2.03 0.00 3.96 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.87 0.00 78 Y 9.24 3.80 0.00 3.05 2.20 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 79 G 8.96 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 80 G 6.29 4.19 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 0.00 81 V 7.41 4.67 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 0.73 0.00 0.00 0.93 0.00 0.00 82 L 8.15 4.46 0.00 1.82 1.87 0.90 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.21 4.18 0.00 4.06 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 84 G 8.08 3.66 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 0.00 0.00 0.00 85 P 0.00 4.26 0.00 2.32 2.15 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 86 A 8.66 4.04 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 87 V 7.68 3.50 2.18 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 0.87 0.00 0.00 0.94 0.00 0.00 88 R 8.26 3.90 0.00 2.02 1.98 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 89 E 8.65 3.90 0.00 2.17 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 2.33 2.53 0.00 90 R 8.31 3.93 0.00 1.97 1.98 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 91 I 8.09 3.39 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.83 0.26 0.00 0.00 92 I 8.34 3.84 1.88 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 1.64 0.76 0.99 0.00 0.00 93 R 7.78 3.89 0.00 1.85 1.95 0.00 3.22 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 94 A 7.48 3.92 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 95 F 7.76 4.48 0.00 3.35 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 96 L 8.23 4.28 0.00 1.86 1.76 0.98 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.17 3.61 2.25 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 1.04 0.00 0.00 1.02 0.00 0.00 98 E 8.04 3.99 0.00 2.24 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 2.63 2.58 0.00 99 E 8.76 4.07 0.00 1.96 2.18 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 2.32 2.47 0.00 100 Q 8.19 4.07 0.00 2.49 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 101 K 7.81 4.07 0.00 1.99 1.82 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.60 7.81 102 I 7.39 3.91 1.96 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 1.30 0.82 0.91 0.00 0.00 103 V 8.20 4.31 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 0.59 0.00 0.00 0.93 0.00 0.00 104 K 8.86 3.52 0.00 1.98 1.38 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.39 1.57 7.81 105 K 8.50 4.65 0.00 1.75 1.87 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.47 7.81 106 V 7.24 3.62 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 0.81 0.00 0.00 0.93 0.00 0.00 107 L 7.94 4.57 0.00 1.57 1.57 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.06 4.51 0.00 1.92 2.00 0.00 1.63 0.00 0.00 1.86 0.00 0.00 3.10 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.31 1.28 7.81 109 I 7.33 4.99 1.86 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 1.24 1.21 0.89 0.00 0.00 110 Q 9.30 4.66 0.00 1.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 111 K 7.97 4.01 0.00 1.95 1.71 0.00 1.86 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.38 7.81 112 T 8.79 3.82 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 1.21 0.00 0.00 113 K 8.09 4.15 0.00 1.87 1.96 0.00 1.40 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.51 7.81 114 E 7.75 4.72 0.00 1.82 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 2.19 2.26 0.00 115 K 8.55 4.47 0.00 1.84 1.65 0.00 1.58 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.39 7.81 116 T 8.37 5.29 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 0.00 117 T 8.34 4.78 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 1.21 0.00 0.00 118 K 8.59 4.09 0.00 1.72 1.71 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.38 7.81 119 S 8.20 4.24 0.00 3.65 3.64 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.