NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4625 8.1927 115.4181 57.6316 64.5956 173.7440 3 L 3.2788 8.3781 120.9232 57.7457 41.4794 176.9714 4 R 3.6084 8.0178 118.4361 59.5831 30.3766 178.0219 5 S 4.1240 7.8374 113.6348 60.9822 63.0719 176.3104 6 D 4.2808 8.4669 123.3115 57.0555 40.5841 178.1990 7 L 3.9047 8.2008 121.2190 58.3838 42.2404 179.0847 8 I 3.6252 7.7133 119.5780 64.3828 36.8791 178.3092 9 N 4.3026 8.0649 117.0565 56.2273 38.4084 177.2315 10 A 3.9708 8.6460 122.6199 55.1842 18.1790 179.6929 11 L 3.9887 8.1352 119.1808 58.8960 41.8162 179.7467 *12 Y 4.2049 7.6670 121.3537 62.5103 36.8351 180.0979 13 D 4.7812 8.3315 124.7484 58.2169 40.2895 179.7170 14 E 4.0674 7.8041 118.3963 56.6354 30.1905 179.8019 *19 D 4.6154 8.1923 115.8951 53.4780 40.1521 176.2308 20 V 3.9039 8.1137 125.3843 62.2611 32.1118 175.6221 21 C 4.5876 8.5470 118.7735 56.7121 30.8735 173.2058 22 G 4.0992 7.3009 107.1632 46.4621 0.0000 172.1786 23 I 4.6806 8.0121 113.6340 59.2855 40.0271 174.6623 24 I 5.1996 8.2642 123.5651 59.4161 41.0128 174.8648 25 S 4.7396 8.7534 122.6721 56.4504 64.8873 175.0258 26 A 3.9803 8.5257 123.7317 55.4498 18.0913 178.6321 27 E 4.1117 8.1045 112.4788 57.1933 29.5785 177.7406 28 G 3.9150 8.6751 111.2982 45.4533 0.0000 173.9164 29 K 4.5641 7.5838 123.0668 54.5087 33.5384 180.9909 30 I 4.9701 8.6665 124.9562 59.2279 40.1252 174.0828 31 Y 5.0364 8.9223 125.4994 55.6293 39.7576 174.0581 32 P 4.7919 0.0000 0.0000 62.6550 32.5519 175.7703 33 L 4.3286 8.2497 120.0274 53.7696 42.7096 177.1315 34 G 3.8361 8.3069 112.2256 45.9572 0.0000 174.4746 35 S 4.5326 8.3863 114.2609 57.7375 62.8303 174.5813 36 D 4.9417 7.4397 121.1370 53.3510 42.5247 177.4343 37 T 4.1573 8.5313 118.9361 67.0926 68.0751 177.7481 38 K 4.0685 8.2909 128.0381 60.5619 31.7405 183.6489 39 V 3.6718 8.0733 120.5935 65.7992 31.5960 180.4040 40 L 3.6093 7.8467 119.7094 57.3096 41.4088 179.9373 41 S 4.3016 8.7790 116.0297 61.2719 62.8708 176.8645 42 T 3.9550 7.4117 113.2552 64.0224 68.4495 176.8473 43 I 3.5822 7.2806 122.3190 64.3564 37.1525 178.1658 44 F 4.2652 7.7723 118.8667 60.5602 38.4683 177.3863 45 E 4.0775 8.2208 118.7381 59.4749 29.2799 178.9709 46 L 4.1081 7.6974 117.7133 57.7919 41.7536 179.0078 47 F 4.3396 8.9038 120.1466 61.2308 39.5759 176.9531 48 S 4.3162 8.2936 114.8737 60.8034 62.7722 176.3936 49 R 3.7614 7.8314 121.0985 59.0190 29.9227 176.8431 50 P 4.1910 0.0000 0.0000 65.7211 31.3238 178.5174 51 I 3.5648 7.4952 117.6682 64.4496 37.0105 178.1709 52 I 3.4810 7.5045 120.3838 64.5851 36.9316 178.1219 53 N 4.2525 8.0636 117.5824 56.1977 38.7085 176.9307 54 K 3.8658 8.0263 121.2208 59.4762 32.1533 178.8753 55 I 3.7001 7.4020 118.2915 64.3512 37.3299 177.8279 56 A 4.2243 8.3846 124.3625 55.8726 18.3096 179.7966 57 E 3.9992 8.2096 119.1607 62.2623 29.5224 182.2028 58 K 4.2795 7.9383 123.1570 59.1571 31.7073 179.6739 59 H 5.0719 8.2044 113.8863 55.3620 28.9090 175.8753 60 G 3.8078 7.8666 107.9393 46.0276 0.0000 173.2871 61 Y 4.7323 7.8040 115.7779 56.3336 40.1719 175.1658 62 I 4.1898 8.4991 123.1731 60.3854 38.9711 175.0273 63 V 4.8693 8.2154 125.3238 61.3830 33.9060 174.4858 64 E 4.8056 9.0836 126.7502 55.0543 33.1419 174.0434 65 E 5.2284 9.0937 125.8805 53.2299 31.9316 174.0509 66 P 4.4127 0.0000 0.0000 63.2771 32.4625 177.3884 67 K 4.0907 8.5904 124.1851 57.9574 31.6252 179.0570 68 Q 4.2228 7.5541 118.8303 54.3750 28.5876 179.0628 69 Q 4.0925 8.6524 121.1259 56.9374 29.5186 176.1539 70 N 5.1388 7.3806 115.8482 52.5808 37.1517 174.0422 71 H 5.2084 7.8431 113.4522 54.9536 32.7531 173.0556 72 Y 4.7440 8.7092 124.2925 55.7480 40.8497 172.8528 73 P 4.3284 0.0000 0.0000 60.5272 33.4151 174.5615 74 D 4.2019 8.7964 119.0249 56.8019 41.7566 177.2796 75 F 5.3183 8.3278 116.6393 55.9705 43.2663 174.0924 76 T 5.1279 9.2119 120.8113 61.9898 70.6648 173.3554 77 L 5.8856 8.8595 127.1226 52.5679 44.6759 175.2286 78 Y 5.1486 8.0187 117.8561 56.5126 41.1142 172.9465 79 K 4.4949 8.2884 119.8873 54.6948 33.7445 176.3508 80 P 4.5499 0.0000 0.0000 65.0690 31.7620 178.2083 81 S 4.2323 8.2110 114.9572 60.8659 63.4216 174.9454 82 E 4.5947 7.3213 116.7438 53.2241 29.2642 175.7703 83 P 4.3154 0.0000 0.0000 65.5041 32.3345 178.8695 84 N 4.7592 8.0432 116.8869 52.9950 37.8851 179.4894 85 K 4.7803 7.3593 118.6546 54.9298 31.3407 179.9270 86 K 4.3955 8.3349 123.6390 56.2806 34.0341 178.0801 87 I 4.5975 8.6708 124.8416 59.5012 39.7911 174.3067 88 A 5.0957 8.6447 128.1115 50.2168 21.4988 175.5070 89 I 5.1144 8.6401 122.9570 59.5589 41.1605 174.2751 90 D 5.1401 8.9156 124.9167 52.7755 44.8403 174.0507 91 I 4.8753 9.1040 127.0536 60.7402 38.4962 175.5343 92 K 4.9582 9.1037 124.4876 55.2228 36.2430 175.5278 93 T 5.6963 8.5844 118.6061 61.7007 73.5634 172.4907 94 T 4.5423 8.2840 117.1111 61.6624 70.9926 170.9903 95 Y 4.9054 7.7510 121.7759 55.0088 41.4335 173.9559 96 T 4.6443 8.8844 112.0669 60.7261 72.1362 174.7319 97 N 4.9051 8.6702 115.6449 51.9843 40.0521 172.7032 *103 I 4.1674 7.4189 109.1381 61.4833 39.3310 174.6261 104 K 4.9731 8.0371 119.9949 56.0654 35.5237 174.5262 105 F 5.0268 9.3408 120.0570 55.9699 43.1369 173.8564 106 T 4.9497 8.6929 109.6243 59.9169 70.6018 174.1022 107 L 4.7695 9.1234 123.8052 54.8024 43.3998 175.9574 108 G 3.8820 8.7164 106.3464 44.1457 0.0000 174.1746 109 G 4.1644 8.1633 107.9193 45.2007 0.0000 173.3200 110 Y 4.4691 7.6117 117.4499 56.5322 38.5084 176.1499 111 T 4.5737 7.3297 108.8494 61.5960 71.4592 174.0128 112 S 4.6834 7.0127 119.1225 57.5895 61.4647 178.0679 113 F 4.3401 8.5840 115.8680 59.2008 37.2678 176.0961 114 I 3.0331 6.5348 113.4853 62.1271 37.8057 176.5903 115 R 4.2449 7.5239 117.9472 56.0225 31.7599 175.2949 116 N 4.7566 8.1812 116.0792 51.5917 40.6243 174.1129 117 N 4.3117 8.7163 126.0962 56.5158 39.2624 175.6843 118 T 4.8392 8.4683 107.7668 61.4441 69.6100 173.9719 119 K 4.2866 8.3924 124.3151 55.1054 32.3760 180.2578 120 N 4.1926 8.8795 122.6202 53.1979 36.2325 173.7186 121 I 4.9823 7.3137 114.9801 58.9409 41.5863 174.6252 122 V 3.6961 8.7986 127.9752 65.6546 31.5075 175.7523 123 Y 4.9364 7.3885 113.5852 54.9291 40.9662 173.8438 124 P 4.6021 0.0000 0.0000 63.1372 31.9919 177.2229 125 F 4.2849 9.5264 125.7550 61.5493 39.3264 176.4458 126 D 4.6683 8.2246 117.8177 54.6766 39.5653 176.7924 127 Q 4.1439 8.5192 119.2976 56.6073 29.3057 174.5580 128 Y 4.8027 7.4876 117.0921 56.4571 39.0936 175.4232 129 I 4.4343 8.2648 117.2297 61.0116 38.9274 175.4227 130 A 4.7049 7.3670 123.6800 51.3285 22.9103 175.1542 131 H 5.0743 8.9853 117.2562 54.0478 32.1279 172.3057 132 W 5.4727 9.5934 124.2901 55.3626 31.6439 175.5308 133 I 5.0024 9.2824 124.0290 59.6866 39.9044 174.6410 134 I 4.3662 8.8300 128.3584 59.7480 38.9300 174.6466 135 G 3.5435 7.3081 115.3911 44.2306 0.0000 171.0345 136 Y 4.9788 9.0244 122.8881 56.0489 40.9176 174.9628 137 V 5.3662 9.1407 123.1793 60.1573 34.6888 173.7325 138 Y 5.2554 8.4357 125.1568 55.5051 41.5242 174.4158 139 T 4.8854 8.6479 120.7606 63.1535 70.2635 175.1576 140 R 4.3898 8.9738 128.2105 57.7962 30.0812 172.5790 141 V 3.7324 8.8877 117.2937 61.5171 30.5216 178.6229 *147 S 4.2246 9.0188 116.5562 59.1346 63.5371 171.9335 148 L 4.5344 8.6535 127.1918 55.0721 41.8207 176.5662 149 K 4.7025 7.6837 122.2811 53.7039 34.5813 179.6701 150 T 4.6439 7.9842 108.2461 61.5436 71.3396 172.9670 151 Y 4.8434 9.0155 122.2359 56.9567 42.5526 174.6262 152 N 5.2541 8.8430 118.3101 50.8953 41.9230 172.9642 153 I 4.1394 7.9158 123.5092 65.3830 36.1640 175.7662 154 N 4.5091 8.1259 132.4250 52.3511 37.0795 173.1440 155 E 4.7198 8.1441 117.2669 56.8000 30.3675 177.5083 156 L 3.8763 7.9887 121.6766 58.1788 41.6449 178.4340 157 N 4.5418 8.1822 114.5643 54.2578 38.6758 175.7737 158 E 4.4602 8.2243 114.6940 56.1622 31.4170 181.4788 159 I 3.1697 6.6904 118.4827 60.6914 37.2957 173.9411 160 P 4.3552 0.0000 0.0000 61.8673 32.0498 176.4089 161 K 3.8258 8.2423 122.6262 55.7674 32.5098 174.8185 162 P 4.6312 0.0000 0.0000 62.5718 31.3142 175.1062 163 Y 5.0848 6.7691 118.8176 56.2710 40.7588 176.7086 164 K 4.1869 9.2706 124.0989 55.9933 32.4320 175.6227 165 G 4.2102 7.7486 103.2708 47.4434 0.0000 171.8331 166 V 4.9818 7.9826 118.0468 61.4855 34.5440 173.5067 167 K 4.6876 9.0943 125.9901 54.5024 36.0133 175.6091 168 V 5.1235 8.2974 121.8701 59.0643 34.9704 174.2889 169 F 4.8433 7.3699 113.5557 55.8780 40.7285 172.3363 170 L 5.1940 8.2273 122.1828 53.7240 44.3091 175.0431 171 Q 4.4697 8.5714 124.0940 55.0976 33.3633 173.1952 172 D 5.0491 8.3118 124.0594 53.9865 41.8197 177.5227 173 K 3.9855 9.5459 124.8788 59.4258 31.9799 179.4030 174 W 3.1049 7.8828 115.3778 59.2659 28.2926 177.8842 175 V 2.7540 6.7139 118.7335 64.6394 30.8258 176.8886 176 I 4.0439 7.0142 109.4732 59.8840 38.1953 175.5491 177 A 4.4787 7.3494 124.5556 52.5008 19.0322 177.6234 178 G 4.3568 8.7256 111.1984 44.2042 0.0000 172.7740 179 D 4.6490 8.6547 116.8310 52.7863 40.3497 175.4898 180 L 5.0529 7.7827 120.4722 52.7272 44.2287 175.7385 181 A 4.3383 9.1788 124.8836 52.8232 18.4686 177.8378 182 G 3.9824 9.5762 109.7304 48.4700 0.0000 174.2555 183 S 4.4484 7.9462 112.6566 56.8134 65.8369 173.8743 184 G 3.8166 9.0612 110.4525 47.9443 0.0000 175.2059 185 N 4.4056 8.0606 121.7814 54.0726 38.1569 176.1873 186 T 4.2042 7.5904 107.6858 61.6452 69.5871 175.8413 187 T 3.3902 6.9211 108.8659 62.6804 67.3992 170.5291 188 N 5.2650 8.1231 127.8427 52.1982 42.5171 174.4509 189 I 3.4176 8.9453 123.9265 60.8605 38.4577 175.7667 190 G 4.4375 8.7337 113.3185 44.6770 0.0000 173.1645 191 S 5.5772 8.2652 116.6971 56.2165 65.5642 173.6606 192 I 3.7908 8.5478 114.0254 61.7329 37.9380 176.1444 193 H 5.2037 8.9629 123.8080 53.7140 28.7247 172.6485 194 A 4.7812 7.9892 123.6274 49.3063 22.9479 175.1018 195 H 4.5248 8.6313 115.9921 55.5493 29.7189 176.3876 196 Y 4.4224 9.2240 124.6761 61.8755 38.2939 179.4626 197 K 3.6755 8.1952 123.6755 60.1082 31.7124 180.3475 198 D 4.4349 7.7906 120.2465 57.1208 40.4660 179.2049 199 F 3.6594 7.8211 117.7643 60.1102 38.7291 177.8202 200 V 3.2229 6.9698 119.2169 66.6176 31.3960 178.4175 201 E 4.0271 8.3047 117.0157 58.7273 29.8719 178.7499 202 G 3.6990 7.5014 107.4363 46.9237 0.0000 175.7725 203 K 4.1652 7.6220 122.4426 52.8779 30.6412 179.4456 204 G 4.6028 7.8583 114.4801 43.3011 0.0000 170.3605 205 I 4.3141 8.0399 110.0131 60.5164 39.4917 175.6617 206 F 4.8047 8.0573 120.0839 57.0437 39.5386 175.5806 207 D 4.6543 9.7830 125.7582 56.9529 41.0708 176.5056 208 S 3.7148 7.4493 112.6036 56.1879 66.7299 174.6228 209 E 3.4185 7.1283 120.9607 58.6583 29.2531 177.7419 210 D 4.2697 7.6644 117.9503 57.0592 41.3297 177.6751 211 E 4.0215 7.9782 119.5834 58.9446 29.7672 178.3217 212 F 2.6450 7.6899 120.2730 60.8575 39.3924 177.0962 213 L 3.5342 8.0146 118.5626 57.6553 41.2362 178.9263 214 D 4.3495 7.6546 116.3473 57.5117 41.3576 177.2077 215 Y 3.4842 7.6351 119.7914 60.5292 38.4929 178.2764 216 W 4.1572 7.5297 117.1451 58.8203 29.2790 178.1960 217 R 4.2605 7.8982 116.7789 57.4064 29.7029 176.6402 218 N 4.9115 7.4333 114.2472 52.6054 39.8716 173.6608 219 Y 3.4233 7.5924 120.0665 56.9047 39.4526 174.9415 220 E 4.1442 7.2188 125.9933 55.4821 30.6119 177.9682 221 R 4.1905 8.5980 121.4865 58.8642 30.6161 177.4066 222 T 4.7552 7.1621 103.8609 58.8504 73.1615 174.8036 223 S 4.0817 8.7434 119.9095 63.0516 62.5649 177.1339 224 Q 3.9534 8.1175 120.8660 61.0726 27.5497 180.5927 225 L 4.2504 7.6344 119.6811 57.3041 41.8153 179.8425 226 R 3.3861 7.8736 120.9151 59.4346 29.6763 179.0745 227 N 4.3723 8.2570 121.3511 57.5786 37.4753 179.5691 228 D 5.0824 7.1643 119.0984 54.5386 40.3024 179.5608 229 K 4.5901 8.1763 118.0033 57.0379 33.6257 175.9850 230 Y 4.9828 7.3197 112.1483 56.2022 41.1012 174.9076 231 N 4.8308 9.1190 118.6395 53.2025 40.7139 173.5583 232 N 5.0601 7.7174 114.3186 50.8857 40.2218 174.6534 233 I 3.8096 8.9506 117.4447 64.4338 37.7857 178.1938 234 S 4.1655 8.1463 115.6038 61.8778 62.7678 176.4919 235 E 4.1367 9.1996 121.5826 59.4365 29.1753 178.8100 236 Y 3.7315 8.1747 119.7032 60.6426 38.9336 178.2302 237 R 3.8127 8.2009 119.0704 59.0263 30.1286 178.3271 238 N 4.5466 8.2583 116.5813 55.6818 38.9724 176.6622 239 W 4.2926 8.1075 129.9930 60.0311 30.7984 178.2353 240 I 3.2594 7.7029 120.1092 64.1377 36.3202 177.4755 241 Y 4.0760 7.5445 118.8276 60.9022 38.7449 178.2920 242 R 3.6308 7.4168 116.0904 57.1130 30.1102 177.3216 243 G 3.5499 7.1837 107.0875 45.2573 0.0000 173.8928 244 R 2.0000 7.1270 124.3748 55.5249 30.6010 176.3055 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 2 S 8.19 4.46 0.00 4.06 4.13 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 3 L 8.38 3.28 0.00 1.76 1.76 0.68 -0.25 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 4 R 8.02 3.61 0.00 1.80 1.77 0.00 2.70 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.50 0.00 5 S 7.84 4.12 0.00 3.99 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 6 D 8.47 4.28 0.00 3.01 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 7 L 8.20 3.90 0.00 1.82 1.79 0.88 1.07 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 8 I 7.71 3.63 1.76 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.88 0.84 0.00 0.00 9 N 8.06 4.30 0.00 2.86 2.84 0.00 0.00 6.89 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 10 A 8.65 3.97 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 11 L 8.14 3.99 0.00 1.71 1.67 0.83 0.73 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 *12 Y 7.67 4.20 0.00 2.45 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 0.00 0.00 0.00 0.00 13 D 8.33 4.78 0.00 2.75 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 14 E 7.80 4.07 0.00 1.94 1.80 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 2.27 2.16 0.00 *19 D 8.19 4.62 0.00 2.72 2.59 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 20 V 8.11 3.90 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 0.94 0.00 0.00 0.96 0.00 0.00 21 C 8.55 4.59 0.00 2.88 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 22 G 7.30 4.10 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 0.00 0.00 0.00 23 I 8.01 4.68 1.91 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 1.21 0.83 0.91 0.00 0.00 24 I 8.26 5.20 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 1.44 1.17 0.95 0.00 0.00 25 S 8.75 4.74 0.00 4.34 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.53 3.98 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.10 4.11 0.00 1.98 2.02 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 2.33 2.38 0.00 28 G 8.68 3.91 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 0.00 0.00 0.00 29 K 7.58 4.56 0.00 1.49 1.69 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.35 1.29 7.81 30 I 8.67 4.97 1.91 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.52 1.00 0.00 0.00 31 Y 8.92 5.04 0.00 2.96 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 32 P 0.00 4.79 0.00 2.10 2.11 0.00 3.96 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.31 0.00 33 L 8.25 4.33 0.00 1.52 1.50 0.77 0.80 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 34 G 8.31 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 0.00 0.00 0.00 35 S 8.39 4.53 0.00 3.63 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 36 D 7.44 4.94 0.00 2.85 2.79 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 37 T 8.53 4.16 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 1.46 0.00 0.00 38 K 8.29 4.07 0.00 1.76 1.82 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.08 7.81 39 V 8.07 3.67 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 0.76 0.00 0.00 0.93 0.00 0.00 40 L 7.85 3.61 0.00 1.21 0.82 -0.11 0.16 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 41 S 8.78 4.30 0.00 4.08 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 0.00 42 T 7.41 3.96 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 1.28 0.00 0.00 43 I 7.28 3.58 1.49 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 1.36 0.54 0.53 0.00 0.00 44 F 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.28 0.48 0.00 0.00 53 N 8.06 4.25 0.00 2.78 2.76 0.00 0.00 6.93 5.66 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 54 K 8.03 3.87 0.00 1.95 1.85 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.45 7.81 55 I 7.40 3.70 1.85 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 1.58 0.90 0.96 0.00 0.00 56 A 8.38 4.22 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.21 4.00 0.00 2.01 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 2.25 2.22 0.00 58 K 7.94 4.28 0.00 1.86 1.76 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.36 7.81 59 H 8.20 5.07 0.00 3.43 3.64 0.00 5.68 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.87 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 0.00 0.00 0.00 61 Y 7.80 4.73 0.00 2.73 2.77 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 62 I 8.50 4.19 1.02 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.30 0.71 0.00 0.00 63 V 8.22 4.87 2.23 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 0.91 0.00 0.00 0.89 0.00 0.00 64 E 9.08 4.81 0.00 2.31 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 65 E 9.09 5.23 0.00 1.89 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 0.00 2.34 2.24 0.00 66 P 0.00 4.41 0.00 2.33 2.01 0.00 3.61 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 1.91 1.87 0.00 67 K 8.59 4.09 0.00 1.80 1.75 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.33 1.00 7.81 68 Q 7.55 4.22 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.22 6.91 0.00 0.00 0.00 0.00 0.00 2.36 1.95 0.00 69 Q 8.65 4.09 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.44 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 70 N 7.38 5.14 0.00 3.01 2.85 0.00 0.00 6.72 7.78 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 71 H 7.84 5.21 0.00 3.24 3.21 0.00 5.88 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 8.71 4.74 0.00 3.02 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 73 P 0.00 4.33 0.00 1.70 0.49 0.00 3.62 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.44 0.00 74 D 8.80 4.20 0.00 2.38 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 0.00 0.00 0.00 75 F 8.33 5.32 0.00 2.92 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 9.21 5.13 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 77 L 8.86 5.89 0.00 1.39 1.29 0.92 0.33 0.00 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0.00 0.00 0.00 0.00 1.27 1.26 7.81 86 K 8.33 4.40 0.00 0.79 1.08 0.00 0.78 0.00 0.00 0.63 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.89 1.12 7.81 87 I 8.67 4.60 1.40 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.57 -0.43 0.00 0.00 88 A 8.64 5.10 0.91 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 0.00 0.00 89 I 8.64 5.11 2.09 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 1.17 0.65 1.11 0.00 0.00 90 D 8.92 5.14 0.00 2.81 2.59 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 91 I 9.10 4.88 2.03 0.00 0.00 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 1.53 0.86 1.17 0.00 0.00 92 K 9.10 4.96 0.00 1.58 1.96 0.00 1.98 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.59 7.81 93 T 8.58 5.70 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 94 T 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 116 N 8.18 4.76 0.00 2.61 2.71 0.00 0.00 6.61 7.47 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 0.00 117 N 8.72 4.31 0.00 2.93 2.92 0.00 0.00 6.63 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 0.00 118 T 8.47 4.84 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 1.30 0.00 0.00 119 K 8.39 4.29 0.00 1.80 1.65 0.00 1.96 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.27 7.81 120 N 8.88 4.19 0.00 3.09 3.13 0.00 0.00 6.49 7.28 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 0.00 121 I 7.31 4.98 1.98 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 1.53 0.93 1.16 0.00 0.00 122 V 8.80 3.70 2.11 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 0.42 0.00 0.00 0.93 0.00 0.00 123 Y 7.39 4.94 0.00 3.16 2.82 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 0.00 124 P 0.00 4.60 0.00 2.29 2.13 0.00 3.83 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 2.22 2.21 0.00 125 F 9.53 4.28 0.00 3.24 3.42 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 0.00 126 D 8.22 4.67 0.00 2.83 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 0.00 127 Q 8.52 4.14 0.00 1.95 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.84 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 128 Y 7.49 4.80 0.00 2.61 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 0.00 129 I 8.26 4.43 1.88 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 1.13 0.60 0.88 0.00 0.00 130 A 7.37 4.70 1.11 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 0.00 0.00 131 H 8.99 5.07 0.00 3.23 3.44 0.00 5.61 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 W 9.59 5.47 0.00 3.22 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 0.00 133 I 9.28 5.00 2.04 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.13 0.80 0.00 0.00 134 I 8.83 4.37 1.94 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 1.13 1.07 0.71 0.00 0.00 135 G 7.31 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 0.00 0.00 0.00 136 Y 9.02 4.98 0.00 2.82 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 0.00 0.00 0.00 0.00 137 V 9.14 5.37 2.03 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 1.22 0.00 0.00 1.12 0.00 0.00 138 Y 8.44 5.26 0.00 3.14 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 0.00 139 T 8.65 4.89 4.34 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 1.26 0.00 0.00 140 R 8.97 4.39 0.00 1.56 1.73 0.00 3.27 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 141 V 8.89 3.73 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 0.83 0.00 0.00 0.94 0.00 0.00 *147 S 9.02 4.22 0.00 3.97 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 0.00 148 L 8.65 4.53 0.00 1.66 1.66 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 149 K 7.68 4.70 0.00 1.56 1.57 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.29 1.22 7.81 150 T 7.98 4.64 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 0.93 0.00 0.00 151 Y 9.02 4.84 0.00 2.85 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 0.00 152 N 8.84 5.25 0.00 2.39 2.63 0.00 0.00 7.48 7.62 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 0.00 153 I 7.92 4.14 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 1.09 1.10 0.91 0.00 0.00 154 N 8.13 4.51 0.00 2.84 2.87 0.00 0.00 6.79 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 E 8.14 4.72 0.00 2.30 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 0.00 2.29 2.29 0.00 156 L 7.99 3.88 0.00 1.67 1.70 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 157 N 8.18 4.54 0.00 2.69 2.82 0.00 0.00 6.65 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 E 8.22 4.46 0.00 1.91 1.84 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 2.17 2.12 0.00 159 I 6.69 3.17 1.49 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.56 0.53 0.00 0.00 160 P 0.00 4.36 0.00 2.11 2.01 0.00 3.62 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.98 0.00 161 K 8.24 3.83 0.00 1.45 1.03 0.00 1.46 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.09 1.15 7.81 162 P 0.00 4.63 0.00 2.11 1.99 0.00 3.06 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 163 Y 6.77 5.08 0.00 3.36 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 0.00 164 K 9.27 4.19 0.00 1.80 1.76 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.26 7.81 165 G 7.75 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 0.00 0.00 0.00 0.00 166 V 7.98 4.98 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 0.51 0.00 0.00 0.16 0.00 0.00 167 K 9.09 4.69 0.00 1.27 0.86 0.00 0.61 0.00 0.00 1.26 0.00 0.00 2.63 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.00 1.06 7.81 168 V 8.30 5.12 1.22 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 0.36 0.00 0.00 -0.02 0.00 0.00 169 F 7.37 4.84 0.00 2.94 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 0.00 170 L 8.23 5.19 0.00 1.51 1.34 0.93 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 171 Q 8.57 4.47 0.00 2.12 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.01 2.15 0.00 172 D 8.31 5.05 0.00 2.47 2.60 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 0.00 0.00 0.00 173 K 9.55 3.99 0.00 1.99 1.87 0.00 1.85 0.00 0.00 1.88 0.00 0.00 3.24 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.38 1.52 7.81 174 W 7.88 3.10 0.00 3.12 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 V 6.71 2.75 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 0.67 0.00 0.00 -0.61 0.00 0.00 176 I 7.01 4.04 1.93 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 1.60 1.12 0.73 0.00 0.00 177 A 7.35 4.48 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 0.00 178 G 8.73 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 0.00 179 D 8.65 4.65 0.00 2.56 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 0.00 0.00 0.00 0.00 180 L 7.78 5.05 0.00 1.75 1.75 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 181 A 9.18 4.34 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 0.00 0.00 0.00 0.00 0.00 182 G 9.58 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 0.00 183 S 7.95 4.45 0.00 3.85 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 0.00 184 G 9.06 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 0.00 0.00 0.00 185 N 8.06 4.41 0.00 2.84 2.97 0.00 0.00 5.88 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 0.00 186 T 7.59 4.20 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 187 T 6.92 3.39 3.06 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 1.15 0.00 0.00 188 N 8.12 5.27 0.00 2.71 2.73 0.00 0.00 7.06 6.61 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 0.00 189 I 8.95 3.42 1.54 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.07 0.32 0.00 0.00 190 G 8.73 4.44 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 0.00 0.00 0.00 191 S 8.27 5.58 0.00 4.35 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 0.00 192 I 8.55 3.79 1.66 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.13 0.87 0.00 0.00 193 H 8.96 5.20 0.00 3.14 3.27 0.00 5.69 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 A 7.99 4.78 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 0.00 195 H 8.63 4.52 0.00 3.20 3.28 0.00 5.65 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 0.00 196 Y 9.22 4.42 0.00 3.11 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 0.00 197 K 8.20 3.68 0.00 1.80 1.82 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.11 7.81 198 D 7.79 4.43 0.00 2.50 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 0.00 199 F 7.82 3.66 0.00 2.53 1.69 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 0.00 200 V 6.97 3.22 1.84 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 0.60 0.00 0.00 0.01 0.00 0.00 201 E 8.30 4.03 0.00 2.06 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 2.26 2.19 0.00 202 G 7.50 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 0.00 203 K 7.62 4.17 0.00 1.77 1.64 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.25 7.81 204 G 7.86 4.60 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 0.00 0.00 0.00 0.00 0.00 0.00 205 I 8.04 4.31 1.61 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 -0.14 0.76 0.00 0.00 206 F 8.06 4.80 0.00 3.48 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 D 9.78 4.65 0.00 2.71 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 0.00 208 S 7.45 3.71 0.00 3.69 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 0.00 209 E 7.13 3.42 0.00 1.16 1.48 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 2.41 2.47 0.00 210 D 7.66 4.27 0.00 2.78 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 0.00 211 E 7.98 4.02 0.00 2.17 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 0.00 2.53 2.61 0.00 212 F 7.69 2.65 0.00 2.64 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 0.00 213 L 8.01 3.53 0.00 1.78 1.68 1.14 1.39 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 0.00 214 D 7.65 4.35 0.00 2.87 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 0.00 215 Y 7.64 3.48 0.00 2.25 2.51 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 0.00 216 W 7.53 4.16 0.00 2.92 3.04 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 0.00 217 R 7.90 4.26 0.00 1.97 1.98 0.00 3.08 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 218 N 7.43 4.91 0.00 2.60 2.64 0.00 0.00 6.92 7.47 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 0.00 219 Y 7.59 3.42 0.00 2.33 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 0.00 0.00 0.00 220 E 7.22 4.14 0.00 1.51 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.12 0.00 221 R 8.60 4.19 0.00 1.82 2.06 0.00 3.17 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 222 T 7.16 4.76 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 0.00 223 S 8.74 4.08 0.00 3.86 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 0.00 224 Q 8.12 3.95 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.11 0.00 0.00 0.00 0.00 0.00 2.29 2.05 0.00 225 L 7.63 4.25 0.00 1.59 1.62 0.87 0.85 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 0.00 226 R 7.87 3.39 0.00 1.86 1.64 0.00 2.54 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.37 0.00 227 N 8.26 4.37 0.00 2.81 2.75 0.00 0.00 6.86 8.81 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 0.00 228 D 7.16 5.08 0.00 2.70 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 K 8.18 4.59 0.00 1.33 0.91 0.00 1.49 0.00 0.00 1.02 0.00 0.00 2.49 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.30 0.98 7.81 230 Y 7.32 4.98 0.00 3.05 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 0.00 231 N 9.12 4.83 0.00 2.85 2.89 0.00 0.00 6.77 7.62 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 0.00 232 N 7.72 5.06 0.00 3.11 3.00 0.00 0.00 5.89 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 0.00 233 I 8.95 3.81 1.65 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.20 0.86 0.00 0.00 234 S 8.15 4.17 0.00 4.08 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 E 9.20 4.14 0.00 2.33 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 2.41 2.54 0.00 236 Y 8.17 3.73 0.00 2.10 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 0.00 237 R 8.20 3.81 0.00 2.24 2.00 0.00 3.26 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.03 0.00 238 N 8.26 4.55 0.00 2.94 3.03 0.00 0.00 6.78 8.10 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 0.00 239 W 8.11 4.29 0.00 3.59 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 0.00 240 I 7.70 3.26 1.84 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 0.99 0.55 0.78 0.00 0.00 241 Y 7.54 4.08 0.00 2.93 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 0.00 242 R 7.42 3.63 0.00 1.64 1.82 0.00 3.23 0.00 0.00 3.46 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.11 0.00 243 G 7.18 3.55 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 0.00 244 R 7.13 2.00 0.00 1.41 1.05 0.00 2.97 0.00 0.00 3.02 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.89 0.00 * Residues marked with a * may have inaccurate shift predictions.