NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2627 8.1876 118.8212 56.5240 29.8163 175.2800 2 T 4.1003 7.6608 107.0749 60.9325 69.7570 173.3076 3 G 3.8940 7.5688 111.4284 43.4176 0.0000 174.5456 4 G 4.2863 8.4151 112.5015 43.9705 0.0000 173.1637 5 S 4.6366 8.5042 115.0292 59.2160 63.5071 174.0487 6 F 5.0306 8.6336 116.4313 56.1721 41.5084 172.0601 7 Y 5.1413 8.7743 120.7142 55.8441 41.3944 174.3285 8 E 4.3881 9.0376 128.0761 53.7301 31.1778 174.3771 9 P 4.1512 0.0000 0.0000 62.8098 32.3272 176.1417 10 F 4.1272 8.5695 118.1392 58.9605 36.8524 177.1919 11 N 4.5168 8.4315 118.6137 55.3844 39.1436 175.7406 12 N 5.1023 7.8407 112.4009 51.2961 42.1894 173.7813 13 Y 4.2908 8.5373 121.7381 56.4844 38.2137 174.7183 14 N 4.5679 8.4164 127.5569 52.9501 38.6994 175.7197 15 T 4.6225 7.9719 116.3184 63.1873 69.4499 176.1544 16 G 3.6211 8.2283 111.0238 47.3763 0.0000 174.0096 17 L 4.0307 7.6723 120.6624 54.9936 44.1941 175.9546 18 W 5.8721 8.1069 117.3577 54.8895 34.0875 174.2791 19 Q 5.0175 9.7018 119.0891 54.7609 31.7232 174.0873 20 K 4.7870 8.9012 120.9522 55.5235 33.1940 176.8121 21 W 4.7235 8.9058 124.5517 59.4402 29.3271 176.5158 22 A 4.6420 7.8580 121.4313 49.9801 21.3441 175.1467 23 F 4.4274 8.7908 124.3347 59.6186 38.1451 174.4490 24 D 5.3538 7.5545 135.0000 55.3623 40.3707 177.6032 25 H 4.5008 7.5313 117.4098 59.4081 29.3054 173.7116 26 V 3.8187 7.0066 117.3002 61.0603 28.6521 169.0316 27 S 4.5217 8.7563 120.4121 57.8034 67.0719 174.1278 28 M 4.9456 8.5245 121.4167 54.6874 33.3723 175.8938 29 T 4.5867 8.4812 113.5996 60.1990 70.8828 174.9895 30 S 4.3509 8.7036 115.2103 59.9994 63.4746 174.6113 31 L 4.5590 7.5996 121.1055 54.5303 41.6829 176.2694 32 G 4.0449 8.2590 104.3239 46.5927 0.0000 174.0624 33 E 5.0029 7.9340 116.9140 54.3229 34.0053 175.3454 34 M 4.3900 8.6013 123.4524 54.4673 34.0075 174.5991 35 R 4.9893 8.9020 126.5110 54.5478 33.0135 174.3235 36 L 5.3492 9.1830 126.4841 53.3266 44.3809 175.6406 37 S 5.2810 10.1937 115.8909 55.5858 66.2562 173.1261 38 L 4.5972 8.5024 127.1653 54.6863 43.7346 177.1962 39 T 4.2412 8.3717 121.9523 61.4456 69.8758 170.8127 40 S 4.5276 8.2743 123.2956 57.4016 64.0540 171.3637 41 P 5.0855 0.0000 0.0000 60.4998 34.1767 171.3054 42 S 4.9963 8.6964 116.2017 57.3695 65.7983 173.5094 *43 Y 4.7477 8.2327 121.3289 55.3775 39.3929 176.9664 44 N 4.6387 9.0513 124.4657 51.7434 38.5464 172.0831 45 K 4.4589 7.8662 122.4489 54.5420 33.5304 178.2332 *46 F 4.6113 8.1276 117.9392 57.4950 38.6171 177.5782 47 D 4.8370 8.1911 119.1714 53.7278 40.1827 177.6398 48 G 4.5274 7.8881 105.8227 44.8376 0.0000 173.1419 49 G 3.5740 8.9787 107.1754 46.2736 0.0000 173.3876 50 G 2.6364 7.4606 106.3735 44.4956 0.0000 171.7150 51 N 5.3808 8.6099 121.6797 51.5934 42.9037 172.9329 52 Q 5.1400 8.9275 120.2633 54.6724 32.4495 174.0778 53 S 4.5846 8.8121 116.0552 58.5088 63.6064 174.5874 54 V 3.7568 7.9610 121.9512 65.9744 31.7819 176.5994 55 Q 4.4266 7.7722 118.4776 55.0605 31.0283 175.1003 56 T 4.7626 8.2234 111.3157 60.9385 71.4212 173.2785 57 Y 4.8746 9.5244 120.0577 56.0171 42.2665 174.7771 58 G 4.1571 8.5391 110.0277 44.0883 0.0000 172.9136 59 Y 3.8513 7.5978 121.9041 57.6656 38.5455 176.3706 60 G 4.0833 8.1948 110.1786 44.1495 0.0000 170.8051 61 L 4.9151 8.1532 123.0915 54.0543 43.5226 175.0906 62 Y 5.1014 9.0489 124.9286 56.4303 40.0358 174.6046 63 E 5.2189 9.6213 124.3556 54.3675 33.4401 175.4837 64 V 4.2806 8.8985 123.0503 59.8639 34.8242 173.9447 65 N 4.8980 8.1254 125.3652 52.0569 39.6880 173.1767 66 M 5.4319 8.8168 122.8513 53.6366 36.0826 174.0995 67 K 4.2829 8.8413 117.8393 53.7817 35.5920 175.0360 68 P 4.5912 0.0000 0.0000 61.9640 32.4970 175.9269 69 A 4.1673 8.2923 122.8307 51.4772 19.0741 177.8949 70 K 4.3179 8.3191 123.6356 54.7644 32.5373 174.1213 71 N 4.8064 8.3326 122.2236 51.6233 43.0868 173.7028 72 V 3.6617 8.4308 125.7900 63.7520 31.4268 174.2863 73 G 4.1594 9.1390 112.5460 45.5956 0.0000 174.0059 74 I 4.1943 7.2231 112.1872 60.0685 39.9009 175.1201 75 V 4.5768 7.9693 122.8312 61.2163 34.5607 174.1458 76 S 5.4375 8.9266 123.6733 57.0080 65.0571 173.1544 77 A 5.6152 9.4732 125.0932 50.3893 23.2337 174.5057 78 F 5.4629 9.9471 122.1980 56.8638 42.7600 173.2982 79 Y 5.4950 8.2235 122.7517 56.4068 41.8311 173.4791 80 T 5.1163 8.3710 110.9407 60.9535 71.4645 173.4577 81 S 5.3187 9.0111 116.1967 57.9639 66.0585 175.3702 82 T 3.9424 8.9105 115.1414 63.7967 69.1207 173.6718 83 G 3.8025 8.2844 112.5421 44.5106 0.0000 173.9320 84 P 4.5259 0.0000 0.0000 62.9724 33.7083 174.9366 85 T 3.0470 8.1438 113.9854 62.4275 64.2731 169.5434 86 D 4.5109 7.8986 123.5179 54.4882 42.3115 176.3451 87 G 4.0019 9.4237 112.7799 45.9187 0.0000 173.1733 88 T 4.7259 7.2946 114.0071 60.8226 72.4933 172.1473 89 P 4.4718 0.0000 0.0000 62.3682 32.5850 176.7679 90 W 4.7442 9.0164 133.8557 57.0542 30.8489 173.1895 91 D 5.5336 8.9523 125.9788 52.1975 43.0492 174.9420 92 E 5.0950 8.8099 122.7809 55.1246 34.1022 173.6554 93 I 4.9310 8.3879 125.2779 59.5736 40.6205 174.0324 94 D 5.4919 9.4064 126.3405 52.5579 44.6627 175.1196 95 I 5.0581 9.5030 123.2777 59.8747 40.2749 174.3884 96 E 5.2196 8.9927 126.5764 54.3667 33.8675 175.1349 97 F 4.9358 9.1976 121.5431 55.5326 42.5163 174.3388 98 L 4.3780 8.5130 124.6436 54.0640 42.0443 178.3588 99 G 4.0903 9.4634 112.6519 48.4277 0.0000 175.9042 100 K 3.8387 8.0897 118.9165 59.2913 32.6962 176.4436 101 D 4.3688 8.0462 119.3824 53.5089 42.1417 174.3080 102 T 4.5699 8.3961 116.2150 61.8990 69.1899 176.0512 103 T 4.9714 8.0702 111.8413 61.8612 69.9047 174.2190 104 K 5.1309 7.6539 120.2345 54.5971 35.5935 175.8234 105 V 4.0691 8.4309 121.4470 59.7402 35.0102 173.9469 106 Q 4.5100 8.3708 124.1817 54.3390 31.2454 174.3325 107 F 5.1818 8.1816 124.8673 55.5735 41.7863 174.1123 108 N 4.9719 8.2954 117.8790 53.7079 42.4583 172.2159 109 Y 5.2327 7.4466 118.1379 56.1917 41.5309 172.8243 110 Y 4.7992 9.2053 118.2376 56.5333 41.7910 175.1357 111 T 4.9564 8.4866 118.8531 62.5530 72.9420 173.9888 112 N 4.3476 10.4500 125.2713 54.3759 36.8650 175.5389 113 G 4.0709 8.4285 104.0081 45.5155 0.0000 174.1654 114 V 4.2813 7.8630 120.5841 61.1829 33.3930 175.4166 115 G 3.3082 7.9800 115.2355 43.7831 0.0000 173.1697 116 N 4.2745 8.2813 115.6876 53.9349 35.5839 173.4565 117 H 4.7833 7.4530 110.5502 55.2625 29.9397 175.1653 118 E 4.0553 8.0575 118.8927 56.5191 30.6095 175.9427 119 K 4.3864 9.0219 126.7675 54.5486 34.8623 174.6355 120 I 4.3921 8.1394 128.7230 59.9948 38.5256 175.4066 121 V 4.3011 8.4168 127.0289 60.7563 34.2956 174.2523 122 N 4.7212 8.6638 125.5875 53.4325 38.4011 175.2233 123 L 3.7070 8.7559 124.9365 55.1523 42.2985 178.6213 124 G 3.9048 9.7540 105.1695 45.0018 0.0000 172.4414 125 F 4.7546 6.6263 112.3019 55.5427 40.4443 172.7161 126 D 4.8275 8.7452 121.7218 53.4216 41.0416 177.0315 127 A 4.3269 9.3153 131.4947 55.0706 18.6002 178.4293 128 A 4.0283 8.0111 118.2140 54.8025 18.6998 178.6431 129 N 4.4834 7.9291 113.0242 55.5629 38.8255 175.1013 130 S 4.5351 7.3975 109.6992 56.3604 66.3498 172.4836 131 Y 4.3804 8.2211 118.5629 58.1777 38.2542 175.1241 132 H 4.8822 8.7328 119.0765 54.1734 33.5634 172.5346 133 T 4.5734 8.5601 118.0965 62.6526 70.0959 173.3563 134 Y 5.4589 9.3453 124.6969 56.3008 40.8671 174.8652 135 A 5.4726 9.4818 124.4690 50.4836 23.6222 174.6781 136 F 5.2231 8.7408 113.5928 55.2830 41.8754 173.4178 137 D 5.2014 9.3897 123.1786 52.9766 42.1792 174.8450 138 W 5.2439 9.6132 135.0000 56.4757 31.9137 175.0230 139 Q 4.8444 9.2327 125.7280 53.1699 32.2960 174.9700 140 P 4.5444 0.0000 0.0000 64.5187 31.2157 177.2829 141 N 4.9833 7.7885 112.6347 52.5480 39.7762 173.5660 142 S 4.8623 7.8380 111.6821 57.4590 66.9087 173.8972 143 I 4.7246 8.4477 123.7487 59.3710 39.7338 174.5845 144 K 4.8336 8.2726 125.4059 54.3485 35.0524 175.1265 145 W 4.9642 9.0701 126.0875 55.7122 30.7335 175.2511 146 Y 5.3231 9.1338 121.9072 56.2178 41.4187 175.0262 147 V 4.7623 8.7192 121.7083 61.3934 34.5594 175.3692 148 D 4.7138 10.1463 130.4684 55.5236 38.7775 175.3000 149 G 3.9982 8.5815 105.9149 45.4999 0.0000 173.7264 150 Q 4.6763 7.8233 119.2892 53.8274 30.2069 174.9135 151 L 3.9996 8.7678 124.9807 55.1903 42.6177 176.2531 152 K 4.7061 8.7148 124.9978 57.5083 34.8561 175.8672 153 H 5.0299 7.8517 117.0999 55.4550 33.3673 172.5344 154 T 5.1847 8.2993 119.2426 61.7891 72.0555 172.9467 155 A 5.0603 9.3883 128.2590 50.4741 21.5561 176.8256 156 T 4.7701 9.0578 108.5439 59.7207 70.4699 173.8573 157 T 4.6285 7.6979 111.5823 60.9561 71.6142 173.3598 158 Q 3.4640 8.7280 119.9217 57.1143 26.4590 174.5452 159 I 3.9047 7.6426 116.9890 60.0792 38.2766 175.0990 160 P 4.6759 0.0000 0.0000 63.2245 31.5296 176.0319 161 Q 4.7849 9.0408 115.8425 56.3319 31.3238 175.6367 162 T 4.4858 8.9366 115.7869 62.1766 68.8911 172.7420 163 P 4.8007 0.0000 0.0000 63.4643 32.1585 175.6170 164 G 4.4783 9.3259 109.2811 44.4863 0.0000 171.5890 165 K 4.8782 9.0783 119.1258 55.8457 33.8884 176.6671 166 I 4.6357 8.9534 124.5410 61.1559 38.5222 174.7440 167 Y 5.1005 9.1617 125.0751 56.3258 41.6334 174.5811 168 M 5.4239 8.9107 121.2520 53.7064 35.9758 174.7779 169 S 5.0299 9.0748 116.8968 56.8261 67.4969 172.7049 170 L 5.4669 9.2291 123.7429 53.3596 45.0387 175.2363 171 W 5.5272 8.7989 121.9093 56.4342 31.6398 174.9504 172 A 3.9220 9.1086 122.2897 52.0361 16.7572 178.3451 *189 L 3.9735 7.5455 114.4262 54.8160 43.4399 175.7446 190 Y 5.7465 8.4731 118.8797 55.1414 42.7141 173.7400 191 A 4.8440 8.6778 124.0622 50.5214 22.0129 174.9235 192 H 5.3274 8.8068 119.2527 54.1406 32.1329 173.2000 193 Y 4.8058 9.1368 120.1336 56.5228 40.1673 175.9663 194 N 4.3786 9.4991 124.8584 55.8403 39.3063 174.8745 195 W 5.4486 7.4018 113.5152 55.4997 31.8847 172.9259 196 V 5.0571 8.9560 120.0558 61.4366 35.1169 174.2585 197 R 4.8949 9.3802 125.9626 55.0072 34.0041 172.7418 198 Y 4.8383 7.6854 127.2844 55.8990 41.5785 174.2167 199 T 4.1770 8.0269 123.5165 61.2478 71.0891 173.5810 200 K 3.9679 8.3074 129.6709 56.1213 31.0058 177.2173 201 R 4.0542 8.0051 123.8154 55.9957 30.1426 176.7480 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 Q 8.19 4.26 0.00 2.35 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 2 T 7.66 4.10 4.12 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 0.00 0.00 1.14 0.00 0.00 3 G 7.57 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 8.42 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 5 S 8.50 4.64 0.00 3.74 3.76 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 6 F 8.63 5.03 0.00 3.06 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 7 Y 8.77 5.14 0.00 2.80 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 8 E 9.04 4.39 0.00 2.29 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.47 0.00 9 P 0.00 4.15 0.00 2.35 2.13 0.00 3.74 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 10 F 8.57 4.13 0.00 3.43 3.07 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 0.00 0.00 0.00 11 N 8.43 4.52 0.00 2.77 2.93 0.00 0.00 6.96 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 N 7.84 5.10 0.00 2.71 2.78 0.00 0.00 6.81 7.46 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 13 Y 8.54 4.29 0.00 3.02 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.42 4.57 0.00 2.76 2.68 0.00 0.00 6.88 7.22 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 15 T 7.97 4.62 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 1.51 0.00 0.00 16 G 8.23 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.67 4.03 0.00 1.32 0.91 0.17 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 18 W 8.11 5.87 0.00 2.86 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 19 Q 9.70 5.02 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.88 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 20 K 8.90 4.79 0.00 1.77 1.92 0.00 1.82 0.00 0.00 1.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.50 7.81 21 W 8.91 4.72 0.00 3.46 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 22 A 7.86 4.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 8.79 4.43 0.00 2.94 3.01 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 0.00 0.00 0.00 24 D 7.55 5.35 0.00 2.74 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 25 H 7.53 4.50 0.00 3.23 3.23 0.00 5.67 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.01 3.82 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 0.57 0.00 0.00 0.75 0.00 0.00 27 S 8.76 4.52 0.00 3.73 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 M 8.52 4.95 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.52 0.00 29 T 8.48 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 1.22 0.00 0.00 30 S 8.70 4.35 0.00 4.02 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.60 4.56 0.00 1.81 1.75 0.94 0.91 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 32 G 8.26 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 7.93 5.00 0.00 1.96 1.92 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 2.39 2.51 0.00 34 M 8.60 4.39 0.00 1.04 0.57 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.10 0.00 35 R 8.90 4.99 0.00 1.72 1.69 0.00 2.21 0.00 0.00 2.82 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.10 0.00 36 L 9.18 5.35 0.00 1.71 1.57 0.90 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 37 S 10.19 5.28 0.00 3.83 4.08 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 38 L 8.50 4.60 0.00 1.62 1.54 1.04 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.37 4.24 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 40 S 8.27 4.53 0.00 3.56 3.65 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 41 P 0.00 5.09 0.00 2.03 1.77 0.00 3.66 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 1.81 1.53 0.00 42 S 8.70 5.00 0.00 4.04 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1.20 1.40 0.00 0.81 0.00 0.00 0.61 0.00 0.00 2.37 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.19 0.81 7.81 68 P 0.00 4.59 0.00 1.88 1.45 0.00 3.48 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.03 0.00 69 A 8.29 4.17 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 70 K 8.32 4.32 0.00 1.71 1.70 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.37 7.81 71 N 8.33 4.81 0.00 2.79 2.51 0.00 0.00 6.82 7.59 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 72 V 8.43 3.66 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 0.70 0.00 0.00 0.89 0.00 0.00 73 G 9.14 4.16 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 0.00 0.00 0.00 74 I 7.22 4.19 1.74 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.07 0.83 0.00 0.00 75 V 7.97 4.58 0.67 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 0.83 0.00 0.00 0.29 0.00 0.00 76 S 8.93 5.44 0.00 3.92 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 77 A 9.47 5.62 1.68 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 0.00 0.00 78 F 9.95 5.46 0.00 3.54 3.28 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 79 Y 8.22 5.50 0.00 3.25 3.13 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 80 T 8.37 5.12 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 0.95 0.00 0.00 81 S 9.01 5.32 0.00 4.29 3.76 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 82 T 8.91 3.94 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 1.48 0.00 0.00 83 G 8.28 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 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0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.37 7.81 101 D 8.05 4.37 0.00 2.64 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 T 8.40 4.57 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 1.22 0.00 0.00 103 T 8.07 4.97 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 0.00 104 K 7.65 5.13 0.00 1.56 1.56 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.25 7.81 105 V 8.43 4.07 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 0.27 0.00 0.00 0.01 0.00 0.00 106 Q 8.37 4.51 0.00 1.82 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 107 F 8.18 5.18 0.00 2.12 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.30 4.97 0.00 2.65 2.53 0.00 0.00 6.53 7.56 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 0.00 109 Y 7.45 5.23 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 0.00 110 Y 9.21 4.80 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.49 4.96 4.33 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 0.00 0.00 0.00 1.36 0.00 0.00 112 N 10.45 4.35 0.00 2.88 2.94 0.00 0.00 7.16 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 0.00 113 G 8.43 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.86 4.28 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 0.88 0.00 0.00 0.95 0.00 0.00 115 G 7.98 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 0.00 0.00 0.00 116 N 8.28 4.27 0.00 2.59 2.71 0.00 0.00 7.11 8.16 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 0.00 117 H 7.45 4.78 0.00 2.41 2.90 0.00 5.86 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.06 4.06 0.00 1.83 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 2.29 2.22 0.00 119 K 9.02 4.39 0.00 1.48 1.29 0.00 1.36 0.00 0.00 1.48 0.00 0.00 2.85 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.75 1.19 7.81 120 I 8.14 4.39 1.72 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 1.03 0.53 0.78 0.00 0.00 121 V 8.42 4.30 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 1.08 0.00 0.00 0.94 0.00 0.00 122 N 8.66 4.72 0.00 2.58 2.66 0.00 0.00 7.13 7.85 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 0.00 123 L 8.76 3.71 0.00 0.93 0.13 1.05 0.98 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 0.00 124 G 9.75 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 6.63 4.75 0.00 3.20 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 0.00 126 D 8.75 4.83 0.00 2.75 2.66 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 0.00 127 A 9.32 4.33 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 0.00 128 A 8.01 4.03 1.24 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 0.00 0.00 0.00 129 N 7.93 4.48 0.00 2.89 2.87 0.00 0.00 6.75 7.64 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 0.00 130 S 7.40 4.54 0.00 3.80 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 0.00 131 Y 8.22 4.38 0.00 2.87 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 0.00 132 H 8.73 4.88 0.00 2.82 2.83 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 T 8.56 4.57 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 1.13 0.00 0.00 134 Y 9.35 5.46 0.00 3.07 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 0.00 135 A 9.48 5.47 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 0.00 136 F 8.74 5.22 0.00 2.34 2.44 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 0.00 0.00 0.00 0.00 137 D 9.39 5.20 0.00 2.99 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 0.00 138 W 9.61 5.24 0.00 3.70 3.54 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 0.00 0.00 0.00 0.00 139 Q 9.23 4.84 0.00 1.95 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.52 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 140 P 0.00 4.54 0.00 1.84 1.94 0.00 3.30 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.65 0.00 141 N 7.79 4.98 0.00 2.69 2.78 0.00 0.00 6.72 7.57 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 0.00 142 S 7.84 4.86 0.00 3.78 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 0.00 143 I 8.45 4.72 0.93 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.27 -0.62 0.00 0.00 144 K 8.27 4.83 0.00 1.71 1.35 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.33 7.81 145 W 9.07 4.96 0.00 2.50 1.81 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 0.00 146 Y 9.13 5.32 0.00 2.96 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 0.00 147 V 8.72 4.76 2.35 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 1.30 0.00 0.00 1.46 0.00 0.00 148 D 10.15 4.71 0.00 2.89 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 0.00 149 G 8.58 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 0.00 150 Q 7.82 4.68 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.94 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 151 L 8.77 4.00 0.00 1.65 1.63 0.53 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.71 4.71 0.00 2.02 2.11 0.00 1.93 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.75 1.76 7.81 153 H 7.85 5.03 0.00 3.40 3.18 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 T 8.30 5.18 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 1.25 0.00 0.00 155 A 9.39 5.06 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 T 9.06 4.77 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 0.00 157 T 7.70 4.63 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 1.26 0.00 0.00 158 Q 8.73 3.46 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 159 I 7.64 3.90 2.16 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.73 1.19 0.00 0.00 160 P 0.00 4.68 0.00 2.09 2.24 0.00 3.53 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.69 0.00 161 Q 9.04 4.78 0.00 2.22 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 7.15 0.00 0.00 0.00 0.00 0.00 2.62 2.45 0.00 162 T 8.94 4.49 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 163 P 0.00 4.80 0.00 1.98 2.12 0.00 3.68 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 164 G 9.33 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 K 9.08 4.88 0.00 1.59 1.49 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.59 1.47 7.81 166 I 8.95 4.64 2.20 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.94 1.06 0.00 0.00 167 Y 9.16 5.10 0.00 1.43 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 0.00 0.00 0.00 0.00 168 M 8.91 5.42 0.00 1.10 1.37 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 1.40 0.00 169 S 9.07 5.03 0.00 4.10 4.16 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 0.00 170 L 9.23 5.47 0.00 1.80 1.56 0.94 0.96 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 0.00 171 W 8.80 5.53 0.00 3.60 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 0.00 172 A 9.11 3.92 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 *189 L 7.55 3.97 0.00 1.46 1.50 0.84 0.75 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 0.00 190 Y 8.47 5.75 0.00 2.83 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 A 8.68 4.84 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 0.00 192 H 8.81 5.33 0.00 3.05 3.33 0.00 5.75 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 0.00 193 Y 9.14 4.81 0.00 2.48 2.89 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 0.00 194 N 9.50 4.38 0.00 1.44 2.51 0.00 0.00 7.05 7.99 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 0.00 195 W 7.40 5.45 0.00 3.41 3.07 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 0.00 0.00 0.00 196 V 8.96 5.06 2.40 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 1.30 0.00 0.00 1.29 0.00 0.00 197 R 9.38 4.89 0.00 2.29 1.92 0.00 3.16 0.00 0.00 2.96 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.69 0.00 198 Y 7.69 4.84 0.00 2.49 1.92 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 0.00 199 T 8.03 4.18 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 1.01 0.00 0.00 200 K 8.31 3.97 0.00 1.61 1.65 0.00 2.01 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.55 7.81 201 R 8.01 4.05 0.00 1.80 1.77 0.00 3.26 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 * Residues marked with a * may have inaccurate shift predictions.