NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 P 4.3975 0.0000 0.0000 62.7748 33.6853 177.4470 12 H 4.1560 8.3638 124.1787 57.0902 30.2123 174.8864 13 R 4.5417 8.6878 116.5989 57.8429 34.9362 175.4789 14 R 4.8497 8.0382 123.6511 56.9560 28.9824 180.6778 15 D 4.3467 7.6946 124.8012 56.8704 41.4977 177.6295 16 L 4.4976 8.2058 118.3135 56.8039 42.9067 178.6966 17 C 4.2062 7.9648 116.3359 62.6353 28.0831 176.2279 18 S 4.2149 7.6594 112.7317 61.4780 62.9424 176.6750 19 R 4.0747 8.0664 121.4255 59.1725 29.8775 179.0821 20 S 4.2387 8.5072 115.2065 61.6515 62.7780 176.8834 21 I 3.8175 7.7890 122.0790 64.2651 36.8727 178.6014 22 W 4.3344 8.3569 119.8719 59.4868 28.7621 178.4830 23 L 4.0769 8.2534 120.1408 58.2452 41.6455 178.9012 24 A 3.8154 8.3463 120.7108 55.0509 18.1717 179.9105 25 R 3.8630 8.2553 116.8599 59.1993 30.0925 179.1268 26 K 4.0145 8.2877 119.4575 59.5657 32.2296 178.8602 27 I 3.6720 7.9516 120.1876 64.3291 36.8009 178.3179 28 R 3.7866 7.6867 118.1886 59.4135 30.2433 178.0854 29 S 4.2297 8.1718 112.8023 61.7865 62.3649 175.8245 30 D 4.4234 8.4679 121.7447 57.5275 40.4416 179.0144 31 L 3.9627 7.9830 119.3205 57.6935 40.9727 179.6109 32 T 3.8202 7.8809 115.8518 66.4318 68.2854 176.5095 33 A 3.9947 7.8584 122.0440 55.1043 18.6373 179.0375 34 L 4.0276 8.1542 119.1529 58.9392 42.1183 179.4132 35 T 3.9709 8.2414 115.6713 66.5410 68.3270 176.6019 36 E 3.9663 7.9548 119.6785 59.5381 29.5728 179.2044 37 S 4.0622 8.4085 113.4152 61.6816 62.2920 175.6176 38 Y 3.9494 8.6636 122.5987 60.5759 38.5094 178.1499 39 V 3.5865 7.9644 119.3188 66.0578 31.4038 177.8345 40 K 3.8549 7.7791 117.2666 59.6924 31.9924 178.0030 41 H 4.0213 7.7817 116.6222 58.5200 28.8880 176.5379 42 Q 4.0168 7.4665 115.9614 55.0118 29.5397 175.5371 43 G 3.8592 7.7075 105.4490 46.7442 0.0000 174.5008 44 L 4.6184 7.2778 126.2015 54.0844 40.6288 178.2113 *64 W 4.7906 8.6301 135.0000 58.3752 31.7888 176.9815 65 S 3.0196 8.0651 110.6474 59.9090 62.4360 174.3265 66 E 4.4038 7.6778 119.5023 56.0519 29.4618 175.5131 67 L 4.3024 7.0054 119.6080 54.0024 42.8391 177.3806 68 T 4.2931 8.3433 112.9147 60.7684 71.3939 175.4376 69 E 3.8623 8.8553 122.3600 59.7894 29.3875 179.3513 70 A 3.1397 7.4827 119.7181 54.9548 18.5159 179.0495 71 E 3.8463 7.5135 115.6383 59.6707 29.5521 179.8364 72 R 3.9769 8.0973 117.9305 59.4436 30.1430 179.0639 73 L 4.0573 7.6953 118.0058 58.1184 41.6714 179.7849 74 Q 4.0115 8.5001 118.2836 58.7826 28.4718 178.7392 75 E 4.0737 8.4827 119.9088 59.4050 29.5190 178.9541 76 N 4.3141 8.4757 116.5600 56.2012 38.6800 176.9258 77 L 3.9479 8.1271 121.7820 58.4833 42.2219 178.8578 78 Q 3.9149 8.2173 118.9729 58.9463 28.9138 178.0273 79 A 3.3602 7.9654 121.9819 55.3814 18.2106 179.3719 80 Y 3.9923 8.2568 115.2127 61.0528 37.5869 178.7781 81 R 4.1026 8.1524 119.3197 59.3672 30.0154 179.2577 82 T 3.8340 7.7078 115.5801 66.6415 68.4412 176.8657 83 F 4.2327 7.9000 119.7545 60.6439 38.7400 177.2933 84 H 4.0605 8.3280 117.9938 59.2485 29.7309 177.4410 85 V 3.6303 7.5303 119.7074 65.9622 31.3624 177.7944 86 L 4.1772 8.2279 118.8586 58.1390 41.5753 179.4754 87 L 3.9439 8.5882 118.7722 57.8256 41.4621 179.6573 88 A 3.9925 8.2532 120.8114 55.0663 18.4355 179.6344 89 R 3.9286 8.1768 117.5917 59.5108 30.2205 178.7671 90 L 4.3955 8.3886 119.7906 58.6546 40.5452 178.8825 91 L 3.8999 8.0534 121.2216 58.0576 42.0392 178.5108 92 E 3.9424 8.2796 118.4636 59.9291 29.4500 179.2631 93 D 4.3635 7.9791 117.9347 57.5383 40.8861 179.0479 94 Q 4.2467 8.2274 118.4951 59.2337 28.3338 178.8070 95 Q 4.1321 8.2764 119.0071 58.2672 28.5379 178.1343 96 V 3.9030 7.9066 118.1063 64.7384 31.8855 175.0402 97 H 4.6570 8.3984 114.1592 57.0813 32.2918 174.6847 98 F 4.6216 7.2933 119.8751 60.6782 39.9609 176.4575 99 T 4.7910 8.0396 108.1051 59.3656 68.2038 172.9535 100 P 4.5551 0.0000 0.0000 65.2401 31.9861 177.9119 101 T 4.4517 7.7471 111.2855 63.4099 69.9313 175.4183 102 E 4.3938 7.8481 124.1364 54.8898 27.0129 176.5229 103 G 3.6054 7.9949 110.3055 47.1637 0.0000 171.7952 104 D 4.3614 8.0968 119.9170 57.2396 41.2532 178.0187 105 F 4.3603 8.1446 120.7856 61.6254 39.5230 176.8351 106 H 4.0691 8.0431 115.5135 58.6740 28.5248 177.5629 107 Q 4.0175 8.3945 121.7691 58.9086 28.8358 178.2240 108 A 3.9431 7.5840 121.9603 55.3258 18.5266 179.6739 109 I 3.5205 7.3280 118.2647 64.6619 37.0261 178.4510 110 H 4.2634 8.0617 117.1418 59.0995 28.4973 177.8267 111 T 3.8348 7.6904 117.1595 66.5486 68.3299 176.2309 112 L 4.1270 7.7208 123.3578 57.6109 42.0649 178.7009 113 L 3.9397 7.8602 118.7660 58.1799 41.5354 179.7631 114 L 4.0356 7.9467 118.4987 57.8571 41.4403 179.5915 115 Q 4.0346 8.2488 118.2253 58.9326 28.7496 179.0266 116 V 3.8696 8.4451 119.5768 65.8680 31.6574 178.0269 117 A 3.6179 8.2629 120.5211 54.8066 18.1154 179.5240 118 A 3.8098 8.2213 119.7492 55.1322 18.4951 179.6030 119 F 3.8564 8.1900 119.0135 61.3704 39.4344 177.2367 120 A 3.9281 7.8672 120.0183 55.3282 18.1444 179.2639 121 Y 4.3675 7.5758 115.2067 61.3806 38.0005 178.6825 122 Q 3.9869 8.2433 119.1426 58.9145 28.7093 178.8231 123 I 3.5640 7.4884 120.8537 64.3136 37.0958 178.3111 124 E 3.9820 8.2090 119.4686 59.5346 29.2394 179.3208 125 E 4.0375 8.2269 118.5357 58.9413 29.4282 179.1547 126 L 4.0016 7.7610 120.5802 58.2356 42.1776 178.8086 127 M 4.2229 8.2823 118.8084 58.4528 31.9198 178.6990 128 I 3.6708 7.8025 119.9289 64.3785 37.0785 178.2051 129 L 3.9733 7.5170 119.4048 57.6733 41.9128 177.9845 130 L 4.2052 7.5841 116.3953 53.3866 42.4922 176.4142 131 E 3.6665 7.6103 115.9164 58.0475 27.3796 174.4172 132 Y 5.0211 7.9585 114.8659 55.7082 40.7882 176.6506 133 K 4.0257 8.7844 124.1887 56.5661 32.5508 176.5945 134 I 4.1122 8.2662 125.4449 59.6669 37.2844 174.2721 135 P 4.4507 0.0000 0.0000 61.9499 31.9214 176.2478 136 R 3.9367 8.2494 120.9523 55.8549 30.5055 175.7005 137 N 4.3622 8.9211 126.1701 54.9334 38.2608 174.2620 138 E 4.6446 8.6028 120.6101 55.4951 30.8330 174.7554 139 A 4.1226 8.1453 124.5483 56.1138 18.4707 179.5673 140 D 4.4403 8.1843 114.2027 56.1028 41.0733 176.9946 141 G 3.8750 7.4659 108.6905 43.9940 0.0000 174.6474 *149 G 3.8314 7.7676 118.0688 43.8086 0.0000 171.6462 150 G 3.7332 8.8574 118.2562 44.9578 0.0000 173.1033 151 L 4.2684 8.4043 126.3571 58.0958 41.7092 178.8171 152 F 4.2697 8.3234 119.8746 61.3416 39.4142 176.9003 153 E 3.8574 8.2672 117.8490 59.1426 29.2548 179.2644 154 K 4.1303 8.0869 118.3765 59.5528 32.1660 179.3942 155 K 3.8564 7.9483 118.6805 59.3391 31.7958 179.4479 156 L 4.0090 7.4117 118.9825 57.3896 41.6272 178.9372 157 W 4.3391 8.7953 128.8279 60.6922 30.6460 178.1323 158 G 3.6978 8.8654 107.2536 47.1420 0.0000 175.4269 159 L 3.6417 7.5041 121.2046 57.3604 42.1163 178.8637 160 K 3.7637 8.1887 120.1081 59.4722 32.1865 178.6400 161 V 3.9088 7.3637 120.0823 65.5058 30.8052 178.0562 162 L 3.7814 7.4303 118.1460 57.5069 41.3677 179.6819 163 Q 3.8846 7.9514 118.2375 58.8865 28.8208 178.2859 164 E 3.9627 8.5052 119.9294 59.5202 29.5601 179.2858 165 L 2.8353 7.5196 120.0681 57.5122 41.4844 179.0917 166 S 3.9371 7.3920 112.6279 61.4302 62.4348 176.1160 167 Q 3.7815 7.8908 120.6167 58.7898 28.3276 178.8381 168 W 4.0342 8.3112 120.2186 59.8977 29.0387 178.6323 169 T 4.0418 7.7315 110.7343 64.0248 68.0659 176.9538 170 V 3.5085 7.3533 120.9671 65.8416 31.5664 177.7845 171 R 3.7120 7.7598 118.3620 59.6253 29.6915 178.6543 172 S 4.4299 8.7035 115.0899 61.8675 62.9341 176.5934 173 I 3.7207 7.8207 122.4978 64.9161 36.8009 178.2551 174 H 4.3953 8.3069 116.9167 58.6882 28.4303 177.6759 175 D 4.6334 8.6903 120.9787 57.5797 40.7538 178.8105 176 L 4.0947 8.3819 119.6958 57.9055 41.6799 179.6401 177 R 3.9764 8.3036 118.6448 58.9938 29.8148 178.5007 178 F 4.1123 8.3884 120.8313 61.4057 39.2865 177.3480 179 I 3.8371 8.0997 118.3663 64.3621 36.8927 178.1758 180 S 4.1283 8.0672 113.3139 61.6471 62.4533 176.3407 181 S 4.1933 7.8198 116.0956 61.0010 62.5904 174.7543 182 H 4.4553 7.7145 123.2045 55.7581 28.7871 174.6866 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 P 0.00 4.40 0.00 2.25 2.21 0.00 3.69 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 2.00 1.97 0.00 12 H 8.36 4.16 0.00 3.15 3.41 0.00 5.86 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 13 R 8.69 4.54 0.00 1.86 1.87 0.00 3.16 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 14 R 8.04 4.85 0.00 2.01 1.37 0.00 3.21 0.00 0.00 3.35 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 15 D 7.69 4.35 0.00 2.71 2.70 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 16 L 8.21 4.50 0.00 1.69 1.68 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 17 C 7.96 4.21 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 18 S 7.66 4.21 0.00 4.26 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 19 R 8.07 4.07 0.00 2.18 2.08 0.00 3.16 0.00 0.00 3.60 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 20 S 8.51 4.24 0.00 3.88 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 21 I 7.79 3.82 1.80 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 1.55 0.79 0.64 0.00 0.00 22 W 8.36 4.33 0.00 3.58 3.16 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 0.00 0.00 0.00 0.00 23 L 8.25 4.08 0.00 2.09 2.12 1.01 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.35 3.82 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 25 R 8.26 3.86 0.00 2.23 2.08 0.00 2.30 0.00 0.00 2.81 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 26 K 8.29 4.01 0.00 2.11 2.07 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.56 7.81 27 I 7.95 3.67 1.97 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 1.41 0.70 0.84 0.00 0.00 28 R 7.69 3.79 0.00 1.90 2.14 0.00 3.23 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 29 S 8.17 4.23 0.00 4.15 3.97 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 30 D 8.47 4.42 0.00 2.95 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 31 L 7.98 3.96 0.00 1.92 1.64 0.80 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.88 3.82 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 1.21 0.00 0.00 33 A 7.86 3.99 1.38 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 34 L 8.15 4.03 0.00 1.89 1.70 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.24 3.97 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 1.21 0.00 0.00 36 E 7.95 3.97 0.00 2.26 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 2.34 2.43 0.00 37 S 8.41 4.06 0.00 4.10 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 38 Y 8.66 3.95 0.00 3.46 3.21 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 0.00 39 V 7.96 3.59 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 0.98 0.00 0.00 1.08 0.00 0.00 40 K 7.78 3.85 0.00 1.77 1.59 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.41 7.81 41 H 7.78 4.02 0.00 2.57 3.02 0.00 5.83 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 42 Q 7.47 4.02 0.00 1.67 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.57 0.00 0.00 0.00 0.00 0.00 1.58 1.16 0.00 43 G 7.71 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 44 L 7.28 4.62 0.00 1.64 1.03 0.96 0.94 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 *64 W 8.63 4.79 0.00 3.30 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 65 S 8.07 3.02 0.00 3.94 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 66 E 7.68 4.40 0.00 1.90 1.93 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 2.21 2.27 0.00 67 L 7.01 4.30 0.00 1.31 1.41 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.34 4.29 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 1.18 0.00 0.00 69 E 8.86 3.86 0.00 2.16 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 0.00 2.70 2.58 0.00 70 A 7.48 3.14 0.64 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 0.00 0.00 71 E 7.51 3.85 0.00 2.13 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 2.28 2.28 0.00 72 R 8.10 3.98 0.00 2.01 2.05 0.00 3.11 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 73 L 7.70 4.06 0.00 1.82 1.75 1.11 1.41 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 74 Q 8.50 4.01 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 75 E 8.48 4.07 0.00 2.40 2.34 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 2.42 2.66 0.00 76 N 8.48 4.31 0.00 3.20 3.06 0.00 0.00 6.68 6.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.13 3.95 0.00 1.84 1.87 1.00 0.76 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 78 Q 8.22 3.91 0.00 2.35 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 79 A 7.97 3.36 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.26 3.99 0.00 3.11 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 81 R 8.15 4.10 0.00 2.00 1.99 0.00 3.14 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 82 T 7.71 3.83 3.97 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 0.97 0.00 0.00 83 F 7.90 4.23 0.00 2.98 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 84 H 8.33 4.06 0.00 3.39 3.45 0.00 5.59 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.53 3.63 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 1.08 0.00 0.00 1.11 0.00 0.00 86 L 8.23 4.18 0.00 2.08 1.64 1.07 0.75 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 87 L 8.59 3.94 0.00 1.96 1.65 0.76 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.25 3.99 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 89 R 8.18 3.93 0.00 2.09 2.52 0.00 3.17 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.74 0.00 90 L 8.39 4.40 0.00 2.33 2.23 1.06 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.05 3.90 0.00 1.82 1.91 0.74 0.86 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 92 E 8.28 3.94 0.00 2.28 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 0.00 2.34 2.60 0.00 93 D 7.98 4.36 0.00 3.15 2.86 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 94 Q 8.23 4.25 0.00 2.29 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.88 2.91 0.00 95 Q 8.28 4.13 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.68 0.00 0.00 0.00 0.00 0.00 2.00 2.29 0.00 96 V 7.91 3.90 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 0.54 0.00 0.00 0.92 0.00 0.00 97 H 8.40 4.66 0.00 2.24 2.30 0.00 5.72 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 98 F 7.29 4.62 0.00 3.13 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 0.00 99 T 8.04 4.79 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 1.16 0.00 0.00 100 P 0.00 4.56 0.00 2.08 2.19 0.00 3.73 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 101 T 7.75 4.45 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 0.00 102 E 7.85 4.39 0.00 2.06 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 2.15 2.41 0.00 103 G 7.99 3.61 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 0.00 104 D 8.10 4.36 0.00 2.77 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 0.00 105 F 8.14 4.36 0.00 2.99 3.16 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 0.00 0.00 0.00 0.00 106 H 8.04 4.07 0.00 3.32 3.19 0.00 5.69 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 0.00 107 Q 8.39 4.02 0.00 2.22 2.35 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 2.38 2.42 0.00 108 A 7.58 3.94 1.28 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 0.00 0.00 0.00 109 I 7.33 3.52 1.60 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 1.04 0.37 0.77 0.00 0.00 110 H 8.06 4.26 0.00 3.42 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 T 7.69 3.83 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 1.22 0.00 0.00 112 L 7.72 4.13 0.00 1.71 1.75 0.91 0.39 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 0.00 113 L 7.86 3.94 0.00 1.99 1.73 0.95 0.17 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 0.00 114 L 7.95 4.04 0.00 1.91 1.73 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.25 4.03 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 116 V 8.45 3.87 2.28 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 1.20 0.00 0.00 0.99 0.00 0.00 117 A 8.26 3.62 1.13 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 0.00 118 A 8.22 3.81 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 0.00 119 F 8.19 3.86 0.00 3.18 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 0.00 120 A 7.87 3.93 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 0.00 121 Y 7.58 4.37 0.00 3.13 2.91 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 0.00 0.00 0.00 122 Q 8.24 3.99 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 123 I 7.49 3.56 1.84 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.45 0.90 0.00 0.00 124 E 8.21 3.98 0.00 2.26 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 2.36 2.55 0.00 125 E 8.23 4.04 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 2.31 2.46 0.00 126 L 7.76 4.00 0.00 1.92 1.86 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 127 M 8.28 4.22 0.00 2.38 2.29 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.72 0.00 128 I 7.80 3.67 1.98 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 1.39 1.03 0.89 0.00 0.00 129 L 7.52 3.97 0.00 1.76 1.82 0.90 1.45 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 0.00 130 L 7.58 4.21 0.00 1.59 1.10 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 131 E 7.61 3.67 0.00 1.81 1.86 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 2.15 2.12 0.00 132 Y 7.96 5.02 0.00 2.91 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 0.00 133 K 8.78 4.03 0.00 1.79 1.79 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.51 7.81 134 I 8.27 4.11 1.88 0.00 0.00 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 1.44 0.77 0.93 0.00 0.00 135 P 0.00 4.45 0.00 2.05 1.99 0.00 3.69 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 0.00 136 R 8.25 3.94 0.00 1.77 1.84 0.00 3.24 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 137 N 8.92 4.36 0.00 2.75 2.78 0.00 0.00 6.83 7.65 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 0.00 138 E 8.60 4.64 0.00 1.90 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 1.83 0.00 139 A 8.15 4.12 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 0.00 140 D 8.18 4.44 0.00 2.70 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 0.00 141 G 7.47 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 0.00 0.00 0.00 *149 G 7.77 3.83 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 0.00 0.00 0.00 150 G 8.86 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 0.00 151 L 8.40 4.27 0.00 1.91 2.15 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 152 F 8.32 4.27 0.00 3.08 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 0.00 153 E 8.27 3.86 0.00 2.22 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 2.49 2.39 0.00 154 K 8.09 4.13 0.00 2.39 2.23 0.00 1.82 0.00 0.00 1.91 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.72 7.81 155 K 7.95 3.86 0.00 1.67 1.60 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.73 1.12 7.81 156 L 7.41 4.01 0.00 1.68 1.60 0.48 0.90 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 0.00 157 W 8.80 4.34 0.00 3.37 3.41 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 0.00 158 G 8.87 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 0.00 159 L 7.50 3.64 0.00 2.00 1.89 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 160 K 8.19 3.76 0.00 1.87 1.76 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.40 7.81 161 V 7.36 3.91 1.63 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 1.09 0.00 0.00 -0.30 0.00 0.00 162 L 7.43 3.78 0.00 1.64 1.49 0.49 0.68 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 0.00 163 Q 7.95 3.88 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 164 E 8.51 3.96 0.00 2.13 2.28 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 2.37 2.53 0.00 165 L 7.52 2.84 0.00 0.37 1.18 -0.06 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 166 S 7.39 3.94 0.00 4.06 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 0.00 167 Q 7.89 3.78 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.57 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 168 W 8.31 4.03 0.00 3.51 3.09 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 0.00 169 T 7.73 4.04 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 1.20 0.00 0.00 170 V 7.35 3.51 2.16 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 0.91 0.00 0.00 0.87 0.00 0.00 171 R 7.76 3.71 0.00 1.56 1.85 0.00 2.99 0.00 0.00 2.71 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.91 0.00 172 S 8.70 4.43 0.00 4.16 4.14 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 0.00 173 I 7.82 3.72 1.94 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.96 0.77 0.00 0.00 174 H 8.31 4.40 0.00 3.23 3.29 0.00 5.62 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 0.00 175 D 8.69 4.63 0.00 3.10 2.92 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 0.00 176 L 8.38 4.09 0.00 1.84 1.80 1.14 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 177 R 8.30 3.98 0.00 2.11 2.05 0.00 3.07 0.00 0.00 3.06 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 178 F 8.39 4.11 0.00 3.44 3.16 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 0.00 0.00 0.00 0.00 179 I 8.10 3.84 2.10 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.96 1.05 0.00 0.00 180 S 8.07 4.13 0.00 4.11 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 0.00 181 S 7.82 4.19 0.00 3.82 3.84 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 0.00 182 H 7.71 4.46 0.00 2.86 3.11 0.00 5.88 0.00 0.00 0.00 0.00 6.98 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.