NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 L 4.2994 8.1693 122.4895 53.9807 42.3802 175.9234 12 P 4.1311 0.0000 0.0000 62.4651 32.6226 173.6648 13 T 4.8304 8.9635 120.7637 62.1118 71.1097 174.5138 14 Y 4.9084 8.9691 124.3314 56.2588 40.6860 175.0761 15 K 5.0654 9.3952 125.2430 55.6823 33.3376 175.7565 16 L 5.1218 9.2361 126.3922 52.8798 44.5445 175.9322 17 V 4.5247 8.3499 122.6989 61.0269 34.2290 174.1819 18 V 4.7026 8.4083 127.8013 61.6493 32.9472 174.9289 19 V 4.6379 9.9811 121.2061 59.0803 35.7273 174.6737 20 G 3.9559 7.7839 107.4702 43.5046 0.0000 172.8506 21 D 4.6992 8.1887 120.6162 53.7551 41.4592 176.6952 22 G 3.7226 8.5628 109.9837 47.5905 0.0000 174.2662 23 G 3.9952 8.9710 110.8444 45.4454 0.0000 175.4614 24 V 3.7306 7.2823 112.3168 62.5415 31.8791 177.0323 25 G 4.2941 7.7729 106.5978 45.6375 0.0000 175.9238 26 K 3.8592 8.6109 121.0072 59.4766 31.9123 179.1039 27 S 4.3043 8.2385 115.5886 61.0507 62.8405 176.3723 28 A 4.0980 8.0076 122.9088 55.2389 18.1927 179.3655 29 L 4.0452 8.3117 117.7420 58.3759 41.6700 180.0609 30 T 3.9577 7.9579 115.3965 66.8516 68.3781 177.0285 31 I 3.7381 8.0812 122.1218 64.1541 37.0564 178.3307 32 Q 4.2186 8.3549 121.9559 58.6009 28.7352 178.0161 33 F 4.0060 8.0173 120.1512 61.4698 39.4333 176.7007 34 F 3.9632 8.1210 115.6848 59.1764 38.2768 177.0021 35 Q 4.5806 8.4850 115.2010 54.1866 29.7859 176.2292 36 K 4.2010 8.0811 118.3687 57.2277 30.0099 175.1567 37 I 4.6890 7.2161 111.0451 58.8531 40.3947 173.9454 38 F 4.8948 8.7320 122.6146 56.4462 41.3955 174.5507 39 V 4.0291 7.7415 127.9496 59.9544 32.0056 172.6780 40 P 3.9074 0.0000 0.0000 63.9276 31.8441 175.8347 41 D 4.2130 8.2595 118.4619 55.4496 39.6424 173.3205 42 Y 4.6577 7.4321 118.0120 55.7348 39.6114 174.1092 43 D 4.5264 8.3170 127.3692 50.7166 40.8126 173.8265 44 P 3.9493 0.0000 0.0000 62.7447 32.0650 176.5768 45 T 4.0580 8.7969 120.0129 66.0532 68.7485 174.8564 46 I 4.5389 7.2613 112.0382 58.1859 40.1861 174.9192 47 E 3.8708 8.7105 121.1874 57.1631 29.5898 176.2781 48 D 4.7174 8.4627 123.4389 52.4239 42.9719 176.1745 49 S 4.4628 8.0859 119.9420 58.1099 64.6452 173.2073 50 Y 4.3051 8.1881 119.1952 56.0140 41.3430 174.3856 51 L 5.5200 8.3512 125.4946 53.2671 45.2246 175.3957 52 K 4.8835 9.2501 124.2803 56.0246 36.4496 174.6480 53 H 5.1375 9.0958 120.5784 56.0818 29.5609 174.6018 54 T 4.6858 9.4793 117.6454 60.4009 71.5603 171.8082 55 E 4.1225 7.7721 127.4652 54.4211 31.2888 174.6743 56 I 4.2078 8.1044 127.7075 60.7892 40.2145 175.6224 57 D 4.2407 9.5950 126.1021 55.6195 38.1644 174.0817 58 N 4.4706 7.8748 110.8982 53.2923 37.2059 174.3886 59 Q 4.7231 7.9472 119.0011 53.7119 31.0017 175.3389 60 W 4.9232 9.0507 124.1650 56.9300 30.1832 175.5548 61 A 4.9299 9.1611 123.2060 51.0268 22.9682 175.0865 62 I 4.7195 8.7080 121.5034 60.1483 39.2845 174.8537 63 L 5.1906 9.5016 127.9267 53.4229 43.7088 175.0159 64 D 5.3657 9.6804 125.0882 52.7431 43.2856 174.6019 65 V 5.0487 9.2048 127.0777 61.0119 34.7830 173.8204 66 L 4.1536 8.6954 130.2343 53.7094 43.5052 174.8571 67 D 4.7439 8.6160 127.5220 53.1016 40.8324 175.5585 68 T 3.9788 7.8826 114.6904 60.9698 69.9868 173.8022 *74 F 4.5142 8.3265 123.7228 58.5550 40.6346 174.9207 75 S 4.0367 6.0861 113.8947 56.1417 65.2124 175.5987 76 A 3.8616 8.2300 131.8705 55.3111 18.2439 178.9722 77 M 4.0220 7.8813 116.7222 58.6810 32.1626 178.2153 78 R 3.8649 7.6070 118.2027 60.0708 30.1834 178.0933 79 E 4.1441 8.0434 118.1480 59.0126 29.5605 178.6312 80 Q 3.9493 8.1859 119.9426 59.4714 29.1292 177.9676 81 Y 3.8781 8.3437 117.7313 61.1745 37.6779 177.9871 82 M 4.4210 8.5200 119.2677 58.7504 32.1539 178.7796 83 R 4.1129 7.9592 117.3492 58.8547 30.4580 178.3249 84 T 4.3966 7.9370 107.3795 61.2337 69.9484 175.4841 85 G 3.7421 7.8628 111.2075 46.6333 0.0000 173.0872 86 D 4.8684 9.1140 122.9130 56.2330 41.8348 176.7920 87 G 4.3591 7.6238 103.1194 45.3290 0.0000 172.1868 88 F 5.3549 9.2066 119.5514 55.3970 42.8305 174.2294 89 L 4.8151 9.0141 124.0489 53.6935 43.3360 175.7154 90 I 4.6240 8.7196 126.2903 59.9740 38.6122 174.7774 91 V 4.8665 8.6008 128.7021 61.1744 33.6526 174.2231 92 Y 4.9920 8.6163 124.7540 55.2935 42.2789 173.7457 93 S 5.0723 8.8443 114.5159 56.6561 64.0471 175.6160 94 V 3.8862 8.8089 120.7422 63.9788 31.4839 177.5903 95 T 4.5187 7.5149 107.4713 60.8653 68.8752 174.4147 96 D 4.6747 7.9190 122.1761 51.5405 42.3117 175.4312 97 K 4.0652 8.6965 127.9057 59.3536 32.1725 178.0508 98 A 4.0682 8.1441 120.8844 55.0707 18.1204 179.4932 99 S 4.6839 8.0496 113.0478 61.0848 63.2512 176.4043 100 F 4.0306 7.9912 122.8988 61.1009 38.9239 177.0096 101 E 3.8186 8.1731 117.0409 59.5399 29.5165 178.3245 102 H 4.6624 8.5109 114.4760 56.4206 28.9535 177.2555 103 V 3.8558 7.7022 121.8849 66.2811 31.2003 177.1176 104 D 4.4344 8.0947 118.4385 56.8025 40.8978 178.3233 105 R 3.7601 7.7884 118.0708 59.3234 30.0124 179.1047 106 F 4.0902 7.9264 116.9673 60.5221 39.0924 177.1327 107 H 3.8985 8.3709 118.0146 59.1838 29.7432 177.0738 108 Q 3.8168 8.1453 121.4558 58.9881 28.8925 177.6866 109 L 3.8229 7.9918 121.6584 58.3644 42.1204 179.0558 110 I 3.2440 7.5485 119.3145 64.3472 36.9870 178.5454 111 L 3.9162 7.5437 119.4431 57.5874 41.2763 179.9377 112 R 3.8675 7.7461 118.0245 59.1811 29.8376 179.1781 113 V 3.5882 7.4670 116.9658 65.3229 31.6130 177.3891 114 K 4.0338 7.6837 115.6510 55.3855 33.4372 175.7992 115 D 4.3624 7.4674 118.1586 54.9903 39.9121 172.6519 116 R 4.7720 7.8020 116.3561 54.5937 34.7749 175.9216 117 E 4.2155 8.7951 120.6368 58.1384 30.1191 176.7065 118 S 4.8209 7.7139 110.8831 56.8495 66.1518 172.7625 119 F 4.6502 8.4351 121.9219 55.8882 42.3054 171.8477 120 P 4.3347 0.0000 0.0000 63.8081 31.9091 174.9327 121 M 5.8898 8.2601 119.7320 55.2852 34.0073 174.0506 122 I 4.6496 8.1694 120.3479 59.4463 41.6711 174.0383 123 L 4.7490 8.9417 129.1934 54.4493 43.4513 175.3013 124 V 4.4144 9.0264 127.1840 61.1430 33.8370 174.3303 125 A 3.6097 8.3681 131.5828 50.2973 19.3864 175.5717 126 N 4.8355 8.4942 120.5251 53.1339 41.4209 175.1659 127 K 4.2830 8.5057 118.5301 57.4690 28.9702 178.6509 128 V 3.7813 7.3723 112.8170 63.0600 31.5136 177.4066 129 D 4.4044 7.9039 119.2562 55.9255 40.1548 177.2447 130 L 4.4091 7.8107 122.6084 53.6808 39.9031 177.3305 131 M 4.1294 7.8590 121.8091 58.4133 32.7140 178.8717 132 H 4.3622 8.3166 112.6111 57.3784 29.1058 175.7186 133 L 4.3664 7.5625 119.3756 54.2188 42.0320 175.9012 134 R 4.1882 7.5324 120.3988 56.2354 30.1285 176.0719 135 K 4.4167 9.0947 124.2945 55.8714 34.0255 176.1886 136 V 4.2793 7.5145 118.5856 60.5919 33.3761 175.7757 137 T 4.1848 8.4569 118.3462 61.0359 70.7798 175.3944 138 R 4.0679 8.4427 121.1733 60.0120 29.9943 178.3673 139 D 4.2356 7.9549 118.0081 57.1743 40.8674 178.5042 140 Q 4.1040 8.0436 118.8269 58.8764 28.7186 179.2018 141 G 3.7317 7.7777 106.1316 47.8768 0.0000 175.9317 142 K 3.4744 7.6095 121.5971 58.8250 31.9928 179.1255 143 E 3.8430 8.2866 119.7712 59.2424 29.4207 178.6331 144 M 3.8091 8.1731 118.1990 58.4777 32.3883 178.0137 145 A 4.1986 8.1917 120.9553 55.5028 18.5381 179.6631 146 T 3.7900 8.1029 114.3540 66.7675 68.3468 176.4362 147 K 3.6630 7.6490 119.9625 59.5740 32.0002 177.3882 148 Y 4.5359 7.6187 114.2099 56.9037 38.6728 174.6557 149 N 4.1353 8.2401 118.0285 54.7817 37.8586 173.0600 150 I 4.8711 7.8041 108.9477 58.2242 41.3919 174.5518 151 P 4.6036 0.0000 0.0000 63.0180 32.6514 174.5212 152 Y 5.2397 8.4392 122.1312 56.0905 41.6515 174.4507 153 I 4.3199 7.7398 124.7711 59.6376 42.0626 172.9083 154 E 4.9298 8.4048 127.7337 54.9690 31.1448 175.2476 155 T 5.3629 8.5286 112.6272 58.9630 73.1973 172.6051 156 S 4.5936 8.2166 115.5918 56.7116 65.0793 174.4523 157 A 4.0757 8.1700 128.4836 53.6696 18.8624 177.6156 158 K 2.4800 6.9672 117.0052 55.2203 32.7460 175.9816 159 D 4.6105 8.0585 125.3667 53.6731 41.4339 174.4044 160 P 4.4606 0.0000 0.0000 61.2032 32.1677 174.7168 161 P 4.8013 0.0000 0.0000 61.9567 32.2664 175.2666 162 L 4.4659 8.5187 122.1789 54.3457 43.7086 176.2916 163 N 4.0238 8.8866 121.4765 54.5073 36.4123 176.5385 164 V 3.5897 7.7468 119.1701 66.3242 31.7191 177.6439 165 D 4.5052 8.0736 118.1479 57.2641 40.7047 178.4477 166 K 3.8454 7.9727 119.5629 59.7951 32.2693 178.4115 167 T 3.6925 8.0278 116.1126 66.8964 68.3578 176.4759 168 F 3.6740 7.6453 119.1619 60.7602 38.7806 177.6168 169 H 4.2496 8.6228 116.2666 58.9320 28.4188 177.5431 170 D 4.3053 8.6180 121.1247 57.1667 40.5548 178.6328 171 L 3.8273 7.6888 120.6062 58.1342 42.0078 179.1667 172 V 3.1560 7.4165 117.7416 65.9528 31.3311 178.2159 173 R 3.7980 7.9235 117.8231 59.0414 29.6335 179.1655 174 V 3.5129 7.7260 117.5438 65.9943 31.5064 177.8065 175 I 3.7448 7.7056 119.4979 64.5960 36.7472 178.7506 176 R 4.0073 7.9651 117.6644 58.6209 29.9089 178.1227 177 Q 4.4555 7.6305 115.4190 55.5223 29.0762 175.7037 178 Q 4.1284 7.6021 124.0883 56.3901 28.8390 175.8000 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 11 L 8.17 4.30 0.00 1.62 1.69 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.13 0.00 1.56 1.97 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 13 T 8.96 4.83 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 1.23 0.00 0.00 14 Y 8.97 4.91 0.00 2.94 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 15 K 9.40 5.07 0.00 1.74 1.80 0.00 1.53 0.00 0.00 1.39 0.00 0.00 2.46 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.43 1.43 7.81 16 L 9.24 5.12 0.00 1.75 1.60 1.10 0.51 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 17 V 8.35 4.52 1.54 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 1.11 0.00 0.00 0.87 0.00 0.00 18 V 8.41 4.70 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 0.86 0.00 0.00 1.01 0.00 0.00 19 V 9.98 4.64 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 0.88 0.00 0.00 0.97 0.00 0.00 20 G 7.78 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 21 D 8.19 4.70 0.00 2.87 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 22 G 8.56 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 23 G 8.97 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 0.00 0.00 0.00 24 V 7.28 3.73 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 0.79 0.00 0.00 0.91 0.00 0.00 25 G 7.77 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 0.00 0.00 0.00 0.00 26 K 8.61 3.86 0.00 1.79 1.87 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.50 7.81 27 S 8.24 4.30 0.00 3.80 3.80 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 28 A 8.01 4.10 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.31 4.05 0.00 1.97 1.89 0.85 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.96 3.96 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 0.60 0.00 0.00 31 I 8.08 3.74 1.98 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.73 1.07 0.00 0.00 32 Q 8.35 4.22 0.00 2.38 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 33 F 8.02 4.01 0.00 2.69 2.61 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 34 F 8.12 3.96 0.00 3.07 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 35 Q 8.49 4.58 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.24 0.00 0.00 0.00 0.00 0.00 2.48 2.64 0.00 36 K 8.08 4.20 0.00 1.92 1.89 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.27 7.81 37 I 7.22 4.69 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 1.37 1.03 0.93 0.00 0.00 38 F 8.73 4.89 0.00 3.03 2.98 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 39 V 7.74 4.03 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 0.84 0.00 0.00 0.83 0.00 0.00 40 P 0.00 3.91 0.00 2.03 1.98 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 2.04 2.13 0.00 41 D 8.26 4.21 0.00 2.69 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 42 Y 7.43 4.66 0.00 2.83 2.93 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 43 D 8.32 4.53 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 3.95 0.00 1.94 2.26 0.00 3.33 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.77 0.00 45 T 8.80 4.06 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 1.23 0.00 0.00 46 I 7.26 4.54 1.85 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 1.41 0.65 0.91 0.00 0.00 47 E 8.71 3.87 0.00 1.93 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 2.28 2.32 0.00 48 D 8.46 4.72 0.00 2.05 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 0.00 0.00 0.00 0.00 49 S 8.09 4.46 0.00 3.62 3.69 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 0.00 0.00 0.00 0.00 50 Y 8.19 4.31 0.00 2.25 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 51 L 8.35 5.52 0.00 1.59 1.53 1.00 0.64 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 52 K 9.25 4.88 0.00 2.03 2.28 0.00 1.22 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.15 0.00 0.00 0.00 0.00 1.29 1.49 7.81 53 H 9.10 5.14 0.00 3.17 3.59 0.00 5.85 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 9.48 4.69 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 1.27 0.00 0.00 55 E 7.77 4.12 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 1.85 1.54 0.00 56 I 8.10 4.21 1.74 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 0.74 0.34 0.78 0.00 0.00 57 D 9.59 4.24 0.00 2.69 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 58 N 7.87 4.47 0.00 2.86 2.94 0.00 0.00 7.13 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 59 Q 7.95 4.72 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.99 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 60 W 9.05 4.92 0.00 3.19 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 61 A 9.16 4.93 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.71 4.72 1.86 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 0.83 0.54 0.97 0.00 0.00 63 L 9.50 5.19 0.00 1.89 1.96 1.17 1.13 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 64 D 9.68 5.37 0.00 2.85 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 65 V 9.20 5.05 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 1.11 0.00 0.00 1.43 0.00 0.00 66 L 8.70 4.15 0.00 0.27 1.15 0.42 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.62 4.74 0.00 2.89 2.67 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 68 T 7.88 3.98 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 1.27 0.00 0.00 *74 F 8.33 4.51 0.00 3.02 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 75 S 6.09 4.04 0.00 3.72 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 84 T 7.94 4.40 4.15 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 1.16 0.00 0.00 85 G 7.86 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 86 D 9.11 4.87 0.00 2.68 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 87 G 7.62 4.36 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 0.00 88 F 9.21 5.35 0.00 3.09 2.99 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 89 L 9.01 4.82 0.00 1.40 1.40 -0.08 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.72 4.62 1.93 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 1.15 0.67 0.94 0.00 0.00 91 V 8.60 4.87 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 0.88 0.00 0.00 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0.00 0.00 0.00 7.21 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 109 L 7.99 3.82 0.00 1.74 1.78 0.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 110 I 7.55 3.24 1.58 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.56 0.02 0.00 0.00 111 L 7.54 3.92 0.00 1.59 1.81 0.89 0.95 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 0.00 112 R 7.75 3.87 0.00 2.05 1.91 0.00 3.06 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 113 V 7.47 3.59 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 0.85 0.00 0.00 0.93 0.00 0.00 114 K 7.68 4.03 0.00 1.58 1.55 0.00 1.18 0.00 0.00 1.36 0.00 0.00 3.12 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.98 0.37 7.81 115 D 7.47 4.36 0.00 2.68 2.61 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 0.00 116 R 7.80 4.77 0.00 1.89 2.02 0.00 3.36 0.00 0.00 3.41 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 117 E 8.80 4.22 0.00 1.95 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 2.31 2.26 0.00 118 S 7.71 4.82 0.00 4.01 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 0.00 119 F 8.44 4.65 0.00 2.99 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 0.00 120 P 0.00 4.33 0.00 2.07 1.86 0.00 2.20 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 121 M 8.26 5.89 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.72 0.00 122 I 8.17 4.65 1.77 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 1.20 0.72 0.82 0.00 0.00 123 L 8.94 4.75 0.00 1.98 1.92 1.33 1.25 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 0.00 124 V 9.03 4.41 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 0.68 0.00 0.00 0.79 0.00 0.00 125 A 8.37 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 N 8.49 4.84 0.00 2.68 2.68 0.00 0.00 7.13 6.78 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 0.00 127 K 8.51 4.28 0.00 2.01 1.92 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.42 7.81 128 V 7.37 3.78 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 0.62 0.00 0.00 0.88 0.00 0.00 129 D 7.90 4.40 0.00 2.72 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 0.00 130 L 7.81 4.41 0.00 1.80 1.60 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 131 M 7.86 4.13 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.57 0.00 132 H 8.32 4.36 0.00 3.28 3.41 0.00 5.51 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 0.00 133 L 7.56 4.37 0.00 1.78 1.64 0.87 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 134 R 7.53 4.19 0.00 1.76 1.92 0.00 3.20 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 135 K 9.09 4.42 0.00 1.78 1.80 0.00 1.58 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.38 7.81 136 V 7.51 4.28 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 -0.19 0.00 0.00 0.73 0.00 0.00 137 T 8.46 4.18 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 1.17 0.00 0.00 138 R 8.44 4.07 0.00 1.93 1.97 0.00 3.21 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 139 D 7.95 4.24 0.00 2.71 2.64 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 0.00 140 Q 8.04 4.10 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 141 G 7.78 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 0.00 142 K 7.61 3.47 0.00 1.61 1.68 0.00 1.53 0.00 0.00 1.49 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.24 0.58 7.81 143 E 8.29 3.84 0.00 1.98 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 0.00 2.26 2.25 0.00 144 M 8.17 3.81 0.00 2.47 1.97 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.74 0.00 145 A 8.19 4.20 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 0.00 0.00 0.00 0.00 0.00 146 T 8.10 3.79 4.36 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 1.18 0.00 0.00 147 K 7.65 3.66 0.00 1.58 1.56 0.00 1.59 0.00 0.00 1.46 0.00 0.00 2.73 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.78 1.25 7.81 148 Y 7.62 4.54 0.00 3.03 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 0.00 149 N 8.24 4.14 0.00 2.85 2.90 0.00 0.00 6.89 7.49 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 0.00 150 I 7.80 4.87 2.16 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.01 1.07 0.00 0.00 151 P 0.00 4.60 0.00 2.10 2.03 0.00 3.77 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 2.11 2.10 0.00 152 Y 8.44 5.24 0.00 2.96 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 0.00 153 I 7.74 4.32 1.71 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 1.06 1.23 0.69 0.00 0.00 154 E 8.40 4.93 0.00 1.77 1.72 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 2.05 2.07 0.00 155 T 8.53 5.36 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 1.06 0.00 0.00 156 S 8.22 4.59 0.00 3.76 3.59 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 0.00 0.00 0.00 157 A 8.17 4.08 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 0.00 158 K 6.97 2.48 0.00 0.98 1.26 0.00 1.52 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.16 0.85 7.81 159 D 8.06 4.61 0.00 2.71 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 0.00 160 P 0.00 4.46 0.00 2.01 1.95 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 161 P 0.00 4.80 0.00 2.16 2.16 0.00 3.29 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 162 L 8.52 4.47 0.00 1.63 1.54 0.88 0.82 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 0.00 163 N 8.89 4.02 0.00 3.05 2.78 0.00 0.00 6.76 7.68 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 0.00 164 V 7.75 3.59 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 1.27 0.00 0.00 1.00 0.00 0.00 165 D 8.07 4.51 0.00 2.73 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 0.00 166 K 7.97 3.85 0.00 1.77 1.88 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.50 7.81 167 T 8.03 3.69 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 0.81 0.00 0.00 168 F 7.65 3.67 0.00 1.89 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 0.00 0.00 0.00 0.00 169 H 8.62 4.25 0.00 3.14 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 D 8.62 4.31 0.00 2.82 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 0.00 171 L 7.69 3.83 0.00 1.62 1.68 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 172 V 7.42 3.16 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 0.47 0.00 0.00 0.80 0.00 0.00 173 R 7.92 3.80 0.00 2.02 1.90 0.00 3.30 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 174 V 7.73 3.51 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 0.77 0.00 0.00 0.94 0.00 0.00 175 I 7.71 3.74 1.78 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 1.57 0.65 1.00 0.00 0.00 176 R 7.97 4.01 0.00 1.85 1.98 0.00 3.05 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 177 Q 7.63 4.46 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.99 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 178 Q 7.60 4.13 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.55 0.00 0.00 0.00 0.00 0.00 2.58 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.