NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 L 4.3106 8.1844 120.6313 54.2289 42.5536 176.2407 1 V 3.7173 7.9970 124.6139 62.6016 32.1664 174.1759 2 K 4.5635 8.8326 122.4879 55.5792 36.7784 174.6851 3 K 4.8132 8.2022 120.7979 54.7135 34.3905 174.7114 4 V 5.0040 8.8318 128.2929 60.9831 34.5054 173.9221 5 L 5.1833 8.6912 128.5372 53.1983 44.7254 174.6555 6 L 4.9549 9.3092 129.3731 54.3593 43.6182 175.0428 7 I 5.1864 8.9504 127.5529 59.6630 40.1329 174.2465 8 N 5.4205 9.4095 124.7087 51.7203 41.3622 175.1328 9 G 4.3816 8.8395 114.1877 44.0574 0.0000 171.7355 10 P 4.4969 0.0000 0.0000 63.8698 32.0786 177.6030 11 N 4.4288 9.2906 118.2101 54.5088 38.6544 176.7449 12 L 3.9114 7.9324 118.3136 57.6706 41.8910 178.9363 13 N 4.2151 8.2383 114.8071 55.5949 36.9613 175.3149 14 L 4.4675 8.5134 117.6575 54.0799 42.3138 176.1880 15 L 4.3499 8.0077 121.2949 55.5038 40.9526 176.5379 16 G 4.4033 7.7745 110.2926 44.2519 0.0000 172.5765 17 T 4.2198 8.7975 122.2116 64.0126 69.5111 176.4932 18 R 4.0048 7.8348 120.9476 58.3525 30.6219 176.5943 *23 Y 4.4862 7.7056 115.1879 56.5343 40.4314 174.4259 24 G 4.3066 7.7149 107.9565 44.0234 0.0000 173.6414 25 T 3.7707 8.6145 112.3610 62.6060 69.6244 173.8235 26 T 4.1672 10.7500 120.1317 63.5061 67.9851 175.0384 27 S 5.4359 8.6801 124.1384 56.5088 66.0088 174.8381 28 L 3.9078 8.2301 122.7595 58.1732 41.7804 178.6380 29 S 4.2527 7.9775 112.8310 61.4428 62.3152 175.4394 30 D 4.3055 8.0579 121.6600 57.3545 40.6874 178.5020 31 I 3.6215 7.4724 119.5982 64.7873 37.1319 178.2974 32 E 3.8510 8.0155 118.6857 59.3789 29.4588 179.0964 33 Q 3.9536 8.0348 117.7968 59.0847 28.8772 178.9256 34 A 4.0057 8.4347 121.7510 55.2771 18.0052 179.5997 35 A 4.0068 7.9715 119.0396 55.2489 18.3739 179.9805 36 I 3.5430 8.1759 118.9213 64.5321 37.1758 178.4385 37 E 4.0960 8.3654 119.3385 58.8214 29.3773 179.0266 38 Q 3.9612 7.9501 119.7641 59.0304 29.1496 178.2225 39 A 3.9588 7.6489 121.3851 55.0744 18.6114 179.4205 40 K 3.8416 7.7383 116.9711 59.9780 31.9802 179.0415 41 L 4.0111 7.8268 118.5724 57.9522 42.3825 178.7126 42 K 3.8990 7.7453 117.9684 57.6211 31.7411 178.0279 43 N 4.7077 8.1679 115.3181 53.4504 38.7271 173.5040 44 N 5.0176 7.2460 112.7673 53.4767 37.6537 173.7587 45 D 4.4081 8.2792 113.3074 56.8635 38.1431 174.5686 46 S 4.8197 7.2661 114.5157 58.2779 64.6762 173.5617 47 E 4.7052 8.9346 120.0112 55.3161 33.3946 173.8332 48 V 4.7894 8.3976 126.0424 61.2251 33.5278 174.8223 49 L 4.6307 9.1742 128.5488 54.1547 43.4095 176.3021 50 V 5.0817 8.1779 113.7337 60.0077 35.4838 174.7092 51 F 4.9324 8.9417 123.9323 57.4549 43.2398 172.7274 52 Q 5.3459 7.0532 123.6558 55.3359 31.8238 173.1930 53 S 4.6252 8.3457 118.7887 57.6317 65.3661 173.3343 54 N 4.7372 8.9658 119.6074 53.7705 38.0710 175.7752 55 T 4.3693 7.9116 117.0996 61.8630 69.5241 174.4060 56 E 3.5549 8.7918 127.2080 59.3685 29.4635 178.8353 57 G 3.7389 7.8539 104.7596 48.1460 0.0000 174.9108 58 F 4.3465 7.5722 119.7401 60.7381 38.9525 178.1208 59 I 3.8888 8.0441 119.0457 64.3367 36.8675 178.3096 60 I 3.5890 7.7449 120.2036 64.6921 36.9589 177.9294 61 D 4.1836 8.6930 120.0275 57.2127 40.5929 179.0267 62 R 3.5828 7.5647 118.9626 59.3122 29.8105 178.5335 63 I 3.6533 7.4010 118.3100 64.5757 37.2543 177.6689 64 H 4.3390 8.3792 117.5183 59.0922 28.5523 177.7214 65 E 3.9763 8.3064 118.8567 59.0238 29.3554 178.5401 66 A 4.1619 8.3707 123.6618 54.4762 18.2888 179.5458 67 K 3.9404 7.9064 117.3820 59.5272 32.1217 179.2835 68 R 3.9487 7.9354 116.8536 59.2771 30.2786 177.6013 69 Q 4.0921 8.5087 116.0176 56.3118 29.0175 177.0042 70 G 3.7721 7.9177 106.0177 46.0024 0.0000 174.0095 71 V 3.7623 8.1420 120.1162 62.9968 31.7923 176.0171 72 G 4.0930 8.6991 113.9005 47.3691 0.0000 173.4509 73 F 4.9943 8.0244 121.3612 56.7326 43.2838 172.9795 74 V 5.0187 8.4250 124.0088 61.0881 34.7154 174.2938 75 V 4.8994 8.9305 127.4277 61.3548 33.7547 173.8723 76 I 5.0248 8.9929 128.8591 59.2161 41.2518 173.6772 77 N 5.4197 9.7302 128.0176 51.0162 40.4335 174.3318 78 A 4.3379 8.7936 128.2990 51.5392 20.1349 178.4020 79 G 3.7200 8.4458 105.8020 45.9215 0.0000 175.4925 80 A 4.1097 8.6367 119.4865 56.0057 18.1447 179.1635 81 Y 4.5066 7.5574 113.9176 61.1617 37.8260 178.7594 82 T 3.9284 8.3723 117.6622 66.6660 68.3474 175.1782 83 H 5.1476 8.4287 115.7895 56.1532 29.6382 175.6840 84 T 4.6720 8.0882 108.2929 61.3787 70.6083 174.3558 85 S 4.5461 8.2586 117.7610 55.9086 61.2565 174.2016 86 V 3.2301 7.5829 126.8573 64.9871 31.2899 177.5022 87 G 3.4744 7.7620 105.2107 47.8450 0.0000 175.4179 88 I 3.5875 7.6575 122.7943 63.8404 37.0762 178.2627 89 R 3.7954 7.6001 119.4897 59.8527 29.9633 178.3464 90 D 4.5372 8.5903 118.3819 57.0792 40.6196 178.9178 91 A 3.9984 8.0395 121.6861 55.0604 18.3831 179.6896 92 L 3.8660 7.8104 117.5199 57.8092 41.4179 179.7780 93 L 4.1228 8.2281 118.3735 57.8328 41.7437 179.6922 94 G 3.7441 8.5019 104.3016 46.7737 0.0000 174.5791 95 T 4.4182 7.6133 109.1017 60.4891 70.3606 174.3976 96 A 3.6984 8.1618 123.1830 52.8943 16.4456 177.4770 97 I 4.0907 7.6969 120.5319 61.1682 37.8675 174.4717 98 P 4.4180 0.0000 0.0000 63.1491 32.4488 175.1026 99 F 5.5901 7.4271 114.0926 55.6195 41.6462 172.7512 100 I 4.8609 8.6308 119.8429 59.5803 40.2573 173.9453 101 E 5.0410 8.7921 126.8602 54.6433 31.3236 174.5590 102 V 4.5555 8.8781 127.3535 61.3342 34.5029 173.8318 103 H 4.9111 8.7320 124.0076 53.9892 31.5273 174.2999 104 I 3.6983 8.7473 124.5743 64.2883 37.9417 176.3103 105 T 4.5868 7.7341 108.9813 59.7645 71.1942 173.3545 106 N 4.6012 8.1961 119.7410 51.9655 38.1513 175.3096 107 V 3.7487 8.1421 120.5454 64.5703 31.8084 178.6228 108 H 4.0219 7.7589 115.2507 58.1138 28.6227 176.3768 109 Q 4.1819 8.2466 117.8563 57.4674 29.3860 176.8176 110 R 4.5786 7.5784 119.4566 55.2389 31.2661 175.7124 111 E 3.9998 8.1534 120.2309 56.4097 30.4529 175.7337 112 P 3.6196 0.0000 0.0000 65.5753 31.2533 178.4840 113 F 4.1717 8.2323 112.4273 59.7142 37.4602 176.6339 114 R 3.6471 7.4829 117.9719 56.6195 30.2122 177.0625 115 H 4.4091 8.0049 115.8003 58.0870 29.0438 176.0141 116 Q 4.2195 7.4263 118.5287 55.3017 29.1977 175.2840 117 S 4.9253 8.2938 116.0634 56.9068 65.2455 172.9854 118 Y 4.6166 9.0367 123.3850 58.2645 38.1241 176.2029 119 L 4.7103 8.5815 122.1536 56.4323 43.5230 178.9896 120 S 4.3312 8.5216 114.0681 60.9473 62.8273 175.8192 121 D 4.5800 8.0958 117.0084 54.5994 39.6419 176.7022 122 K 4.3523 8.0161 117.9088 56.1769 33.2041 176.5379 123 A 2.8126 7.2931 121.6822 51.2459 18.8869 177.8620 124 V 3.7836 7.9845 120.8263 65.8767 32.2553 175.9454 125 A 4.5506 7.3519 119.3757 50.9105 22.7979 175.5027 126 V 4.6061 8.0653 118.3355 61.5142 34.4861 174.3597 127 I 4.6009 8.5954 129.4850 59.6030 39.2936 174.6388 128 C 5.5846 8.1231 121.0416 57.4982 32.3788 174.2375 129 G 3.9793 9.2136 109.9895 45.4692 0.0000 173.3755 130 L 4.2835 7.7305 119.4757 54.2318 42.8669 178.4365 131 G 3.9212 7.8085 106.7999 45.8249 0.0000 174.7401 132 V 3.8793 8.4314 116.9934 66.0448 32.0608 178.6376 133 Y 4.5190 8.3626 120.2512 60.2474 38.4193 177.8618 134 G 3.6712 8.0028 107.1265 48.1537 0.0000 175.0122 135 Y 4.2050 7.5431 118.8956 61.1848 37.9619 178.9036 136 T 4.4721 8.3844 117.0994 65.9796 68.5022 176.3915 137 A 3.7146 7.6643 122.2566 55.0335 18.4609 179.2762 138 A 3.9320 7.7866 119.3450 55.6255 18.2717 180.0419 139 I 3.6669 7.7967 117.9784 64.5169 36.9996 178.2073 140 E 3.9302 8.0441 118.3225 59.7630 29.6010 178.8054 141 Y 3.9315 7.9282 118.8932 60.5761 38.7297 177.4176 142 A 2.8054 8.0649 120.5923 54.9178 18.4815 179.0282 143 L 4.2265 7.8285 113.8041 55.7287 41.6567 177.3005 144 N 4.8709 7.5532 115.3720 52.7081 39.4592 173.0774 145 Y 4.2603 7.6561 120.1676 57.4406 40.6707 175.6227 146 Q 3.5440 7.5968 124.5355 55.8039 28.4017 175.4849 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 L 8.18 4.31 0.00 1.65 1.71 0.93 0.61 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 1 V 8.00 3.72 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 0.82 0.00 0.00 1.22 0.00 0.00 2 K 8.83 4.56 0.00 1.68 1.97 0.00 1.68 0.00 0.00 1.88 0.00 0.00 2.92 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.54 1.36 7.81 3 K 8.20 4.81 0.00 1.86 1.70 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.48 7.81 4 V 8.83 5.00 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 0.80 0.00 0.00 0.95 0.00 0.00 5 L 8.69 5.18 0.00 1.82 1.52 0.99 0.33 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 6 L 9.31 4.95 0.00 1.81 1.55 1.07 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.95 5.19 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 1.35 0.64 1.08 0.00 0.00 8 N 9.41 5.42 0.00 2.65 2.72 0.00 0.00 6.46 7.15 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 9 G 8.84 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 0.00 0.00 0.00 0.00 10 P 0.00 4.50 0.00 1.98 2.11 0.00 3.76 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.44 0.00 11 N 9.29 4.43 0.00 2.91 2.99 0.00 0.00 7.22 6.75 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 12 L 7.93 3.91 0.00 1.88 1.77 1.11 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.24 4.22 0.00 2.77 3.13 0.00 0.00 5.98 7.79 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 14 L 8.51 4.47 0.00 1.68 1.70 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.01 4.35 0.00 1.87 1.82 0.99 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.77 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 0.00 0.00 0.00 0.00 17 T 8.80 4.22 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 1.19 0.00 0.00 18 R 7.83 4.00 0.00 1.74 1.89 0.00 3.26 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 *23 Y 7.71 4.49 0.00 3.02 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 24 G 7.71 4.31 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 0.00 25 T 8.61 3.77 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 1.20 0.00 0.00 26 T 10.75 4.17 4.29 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 1.25 0.00 0.00 27 S 8.68 5.44 0.00 4.05 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 28 L 8.23 3.91 0.00 1.91 1.67 0.84 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.98 4.25 0.00 3.90 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 30 D 8.06 4.31 0.00 2.93 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.47 3.62 1.81 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 1.08 0.16 0.00 0.00 32 E 8.02 3.85 0.00 2.12 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 2.22 2.53 0.00 33 Q 8.03 3.95 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 34 A 8.43 4.01 1.39 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 0.00 0.00 35 A 7.97 4.01 1.39 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 0.00 0.00 36 I 8.18 3.54 1.87 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 1.66 1.60 0.92 0.00 0.00 37 E 8.37 4.10 0.00 2.08 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 2.43 2.46 0.00 38 Q 7.95 3.96 0.00 2.43 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 39 A 7.65 3.96 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 40 K 7.74 3.84 0.00 1.84 1.92 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.78 7.81 41 L 7.83 4.01 0.00 1.84 1.71 0.93 0.53 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 42 K 7.75 3.90 0.00 1.94 1.86 0.00 1.79 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.60 7.81 43 N 8.17 4.71 0.00 3.10 3.00 0.00 0.00 6.95 7.08 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 44 N 7.25 5.02 0.00 2.86 2.83 0.00 0.00 6.95 7.94 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 45 D 8.28 4.41 0.00 2.87 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 46 S 7.27 4.82 0.00 3.78 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 47 E 8.93 4.71 0.00 2.02 1.74 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 2.23 2.25 0.00 48 V 8.40 4.79 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 0.90 0.00 0.00 0.95 0.00 0.00 49 L 9.17 4.63 0.00 1.62 1.59 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.18 5.08 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 0.68 0.00 0.00 0.94 0.00 0.00 51 F 8.94 4.93 0.00 3.07 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 52 Q 7.05 5.35 0.00 1.91 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.53 0.00 0.00 0.00 0.00 0.00 2.33 2.07 0.00 53 S 8.35 4.63 0.00 3.88 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 54 N 8.97 4.74 0.00 2.78 2.85 0.00 0.00 6.92 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 55 T 7.91 4.37 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 0.54 0.00 0.00 56 E 8.79 3.55 0.00 1.16 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.74 0.00 57 G 7.85 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 0.00 0.00 0.00 58 F 7.57 4.35 0.00 3.39 3.20 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 59 I 8.04 3.89 2.06 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.28 0.99 0.00 0.00 60 I 7.74 3.59 1.98 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.69 0.71 0.00 0.00 61 D 8.69 4.18 0.00 2.77 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 7.56 3.58 0.00 1.43 1.53 0.00 2.95 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 63 I 7.40 3.65 1.94 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.70 0.87 0.00 0.00 64 H 8.38 4.34 0.00 3.26 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.31 3.98 0.00 2.17 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 2.31 2.25 0.00 66 A 8.37 4.16 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 67 K 7.91 3.94 0.00 1.79 1.97 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.62 7.81 68 R 7.94 3.95 0.00 1.94 1.98 0.00 3.24 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 69 Q 8.51 4.09 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.88 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 70 G 7.92 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.14 3.76 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 0.88 0.00 0.00 0.99 0.00 0.00 72 G 8.70 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 0.00 0.00 0.00 73 F 8.02 4.99 0.00 2.99 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 74 V 8.42 5.02 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 1.04 0.00 0.00 0.93 0.00 0.00 75 V 8.93 4.90 2.24 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 1.16 0.00 0.00 1.12 0.00 0.00 76 I 8.99 5.02 1.88 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 1.21 1.39 0.99 0.00 0.00 77 N 9.73 5.42 0.00 2.88 2.89 0.00 0.00 6.97 7.74 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 78 A 8.79 4.34 1.42 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 0.00 0.00 79 G 8.45 3.72 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 0.00 0.00 0.00 80 A 8.64 4.11 1.25 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 81 Y 7.56 4.51 0.00 3.20 2.95 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 82 T 8.37 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 1.34 0.00 0.00 83 H 8.43 5.15 0.00 3.30 3.48 0.00 5.60 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.09 4.67 4.35 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 1.35 0.00 0.00 85 S 8.26 4.55 0.00 3.68 3.88 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 86 V 7.58 3.23 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 0.69 0.00 0.00 -0.01 0.00 0.00 87 G 7.76 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.66 3.59 1.81 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 1.33 0.66 0.82 0.00 0.00 89 R 7.60 3.80 0.00 2.08 2.08 0.00 3.13 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 90 D 8.59 4.54 0.00 2.83 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.04 4.00 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 92 L 7.81 3.87 0.00 1.62 1.54 -0.07 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.23 4.12 0.00 1.58 1.76 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.50 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 0.00 0.00 0.00 95 T 7.61 4.42 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 1.23 0.00 0.00 96 A 8.16 3.70 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 97 I 7.70 4.09 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 1.47 0.72 0.87 0.00 0.00 98 P 0.00 4.42 0.00 1.11 1.97 0.00 3.71 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.85 0.00 99 F 7.43 5.59 0.00 3.08 2.95 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 0.00 100 I 8.63 4.86 2.02 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 1.20 1.17 0.87 0.00 0.00 101 E 8.79 5.04 0.00 2.23 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 2.13 2.18 0.00 102 V 8.88 4.56 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 0.09 0.00 0.00 0.77 0.00 0.00 103 H 8.73 4.91 0.00 3.11 3.09 0.00 5.69 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 0.00 104 I 8.75 3.70 1.91 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.39 0.97 0.00 0.00 105 T 7.73 4.59 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 1.23 0.00 0.00 106 N 8.20 4.60 0.00 2.75 2.74 0.00 0.00 6.88 7.71 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 0.00 107 V 8.14 3.75 1.88 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 0.49 0.00 0.00 0.59 0.00 0.00 108 H 7.76 4.02 0.00 3.05 3.24 0.00 5.89 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.25 4.18 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.64 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 110 R 7.58 4.58 0.00 1.74 1.65 0.00 3.12 0.00 0.00 3.14 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 111 E 8.15 4.00 0.00 1.16 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.29 0.00 112 P 0.00 3.62 0.00 2.12 2.02 0.00 3.52 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 113 F 8.23 4.17 0.00 3.16 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 0.00 114 R 7.48 3.65 0.00 1.55 1.72 0.00 2.92 0.00 0.00 3.13 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 115 H 8.00 4.41 0.00 3.18 3.36 0.00 5.67 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.43 4.22 0.00 1.85 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.63 0.00 0.00 0.00 0.00 0.00 2.33 2.25 0.00 117 S 8.29 4.93 0.00 3.85 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 0.00 118 Y 9.04 4.62 0.00 3.09 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 0.00 119 L 8.58 4.71 0.00 2.06 2.01 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.52 4.33 0.00 3.91 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 0.00 121 D 8.10 4.58 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 0.00 122 K 8.02 4.35 0.00 1.98 2.01 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.60 7.81 123 A 7.29 2.81 1.15 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 0.00 0.00 124 V 7.98 3.78 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 0.95 0.00 0.00 0.84 0.00 0.00 125 A 7.35 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 8.07 4.61 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 0.94 0.00 0.00 0.98 0.00 0.00 127 I 8.60 4.60 1.74 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.41 0.81 0.00 0.00 128 C 8.12 5.58 0.00 3.17 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 0.00 129 G 9.21 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 0.00 0.00 0.00 130 L 7.73 4.28 0.00 1.58 1.77 0.99 1.00 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 0.00 131 G 7.81 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 0.00 132 V 8.43 3.88 2.21 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 1.11 0.00 0.00 1.10 0.00 0.00 133 Y 8.36 4.52 0.00 3.08 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 0.00 134 G 8.00 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Y 7.54 4.20 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 0.00 136 T 8.38 4.47 4.42 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 1.42 0.00 0.00 137 A 7.66 3.71 0.89 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 0.00 138 A 7.79 3.93 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 0.00 139 I 7.80 3.67 2.18 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 1.57 0.86 0.96 0.00 0.00 140 E 8.04 3.93 0.00 2.13 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 2.40 2.53 0.00 141 Y 7.93 3.93 0.00 3.10 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 0.00 142 A 8.06 2.81 0.89 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 0.00 143 L 7.83 4.23 0.00 1.62 1.69 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 144 N 7.55 4.87 0.00 2.58 2.61 0.00 0.00 6.71 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 7.66 4.26 0.00 2.76 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 0.00 146 Q 7.60 3.54 0.00 1.62 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.42 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 * Residues marked with a * may have inaccurate shift predictions.