NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.2530 8.1849 122.4995 54.9528 43.8898 176.9018 4 I 3.7799 7.7653 119.0463 60.3133 37.3675 174.2422 5 K 4.7540 9.1029 125.7958 54.2865 35.6863 175.9635 6 E 4.4083 8.8455 118.8227 58.9635 29.5507 176.9668 7 D 5.6272 8.0700 117.3974 52.7840 43.6946 175.5928 8 M 5.0304 9.2519 121.6989 53.8401 37.0156 174.6923 9 R 5.0830 9.1414 119.7309 54.9492 33.6341 175.5392 10 V 5.0107 8.7773 119.5745 61.2603 35.0258 173.8569 11 K 5.1250 9.7006 129.1846 54.6269 35.1313 174.5851 12 V 4.8988 8.9569 127.1773 61.3324 34.6908 173.5180 13 H 5.3674 8.9185 126.8505 54.5721 33.1089 171.5167 14 M 5.1566 8.9989 125.3991 53.8441 35.2572 173.6129 15 E 4.5767 9.0398 126.4352 55.0633 31.6451 175.6408 16 G 3.6205 8.2200 110.5783 44.5183 0.0000 171.0945 17 N 5.4134 8.8520 117.7445 52.7317 42.7890 173.2135 18 V 4.8495 8.9558 126.8486 61.4843 34.2940 175.2926 19 N 4.3524 10.2697 127.1613 54.3411 36.6835 175.5576 20 G 3.9349 8.5700 106.1730 45.5737 0.0000 173.5509 21 H 4.5033 8.2865 120.1424 55.0730 29.7416 174.1302 22 A 4.9533 8.3745 129.4933 52.2422 19.8697 175.6604 23 F 5.0171 8.3187 113.8896 56.2978 42.2016 173.1092 24 V 4.8606 8.9342 118.6974 61.4444 34.9999 173.8071 25 I 5.1764 8.9492 127.9181 59.6015 40.8148 174.2782 26 E 5.2802 9.2653 125.0714 54.8006 33.0578 175.2758 27 G 4.7233 9.3506 109.4034 45.1258 0.0000 171.2003 28 E 5.3416 8.9838 117.6445 55.4560 33.6253 175.0464 29 G 4.0296 8.8760 106.8591 46.4001 0.0000 171.8438 30 K 5.1575 8.5961 117.8986 56.3164 36.7331 175.1179 31 G 4.0539 8.8933 107.3506 45.9389 0.0000 172.3078 32 K 5.8108 9.0701 119.6299 53.0253 33.2037 175.6066 33 P 3.8253 0.0000 0.0000 65.6016 31.3814 178.3424 34 Y 4.4070 7.8434 112.6648 59.2994 38.2014 175.7674 35 E 4.4363 8.1652 118.0875 55.3862 30.5338 175.9949 36 G 3.9921 7.8859 106.5404 46.5157 0.0000 173.1941 37 T 5.4358 7.7180 107.6521 58.6311 72.6081 172.5095 38 Q 4.8308 7.5559 118.1184 55.9107 31.7365 172.7502 39 T 5.2736 8.5937 116.7361 62.0055 72.8519 172.8739 40 A 5.2263 9.6046 126.9242 50.1900 23.4115 174.3457 41 N 5.3754 9.2725 117.7689 51.5889 41.0584 173.9345 42 L 5.3103 9.2066 124.1774 53.2766 45.3695 175.8164 43 T 5.1056 9.0592 118.6719 61.6105 72.6291 173.3911 44 V 4.0945 8.7034 127.3383 63.4112 31.3856 175.7975 45 K 4.3795 9.4265 128.8306 58.7442 32.9218 177.3921 46 E 4.6725 8.1108 117.3472 55.6365 34.0343 176.7275 47 G 4.0778 9.4735 109.5368 46.3500 0.0000 173.6918 48 A 4.1562 7.5971 122.2961 51.1258 19.0655 175.6632 49 P 4.4813 0.0000 0.0000 61.5550 32.4704 176.2545 50 L 3.5652 8.2891 122.2648 54.7015 41.6257 174.8917 51 P 4.6078 0.0000 0.0000 62.3586 31.4388 175.4320 52 F 4.9166 6.5855 111.7445 55.1787 40.6315 173.8582 53 S 3.8289 8.8105 116.8823 58.7304 62.5887 174.8998 54 Y 3.7905 8.1817 128.3871 60.4789 38.6476 177.6498 55 D 4.5483 8.0169 120.0656 57.2359 40.5061 178.6322 56 I 4.3708 7.3617 111.3835 63.7190 37.7735 177.7054 57 L 4.0841 8.0383 121.1353 56.9302 41.6899 179.0342 58 T 4.0796 7.9638 109.9737 65.1677 68.5396 176.6553 59 T 3.9788 8.2944 110.6179 63.8477 68.7743 175.3448 60 A 4.7502 8.1508 122.5685 53.3981 20.2357 178.0615 61 V 3.7745 7.3784 119.1923 61.6764 30.2029 176.3025 *65 N 4.6867 7.6400 118.7410 53.5567 39.0807 174.1890 66 R 3.8029 8.3343 122.6047 56.6212 29.7683 178.5050 67 V 3.4978 7.7370 119.7010 65.5202 31.6267 176.9432 68 F 4.4488 7.7554 121.0277 56.1065 37.2368 174.2368 69 T 4.9680 7.1272 116.2583 61.5110 73.0289 174.5936 70 K 4.3487 8.8161 128.3394 56.4670 33.1560 174.8998 71 Y 4.8393 8.5457 125.9677 55.3142 39.8627 174.4890 72 P 4.5556 0.0000 0.0000 62.1363 32.3285 177.1680 73 E 4.0387 8.7069 117.4939 59.0982 29.6334 177.3807 74 D 4.6877 8.0807 116.5429 53.0681 39.8777 175.6565 75 I 4.4006 7.4412 121.0280 58.8136 38.8004 173.7133 76 P 4.0234 0.0000 0.0000 63.2174 31.8184 175.9929 77 D 3.5671 8.1156 122.2266 52.1962 40.3883 175.5933 78 Y 3.6886 7.7559 127.2447 60.2889 38.3462 177.5293 79 F 3.9576 7.2982 117.7426 60.2716 39.2026 178.0755 80 K 4.1965 8.2886 118.0189 59.4527 31.5400 179.4794 81 Q 4.0900 7.7164 117.9266 58.8049 28.8536 178.6611 82 S 4.0048 7.6024 113.9448 59.7064 62.8996 174.4230 83 F 4.6861 7.0710 120.0583 56.1695 39.5364 174.0874 84 P 4.7917 0.0000 0.0000 64.7681 31.8299 177.5030 85 E 3.9372 8.1064 118.7969 57.8700 29.9859 177.2247 86 G 2.9620 9.1820 105.0655 44.6360 0.0000 170.9969 87 Y 5.2504 7.4905 114.8500 56.3861 41.8130 173.4359 88 S 5.1182 9.3000 114.3413 56.3816 67.2507 172.6493 89 W 5.9190 8.5736 116.2224 55.0862 32.1360 173.7761 90 E 5.2624 9.2779 119.6962 54.7981 33.1593 174.7083 91 R 5.1553 9.3722 124.2759 54.6531 34.1732 173.6230 92 T 4.8142 8.6566 115.5683 60.1275 71.6007 172.8717 93 M 4.4346 9.1712 126.1865 54.0298 34.0801 175.2282 94 T 4.6347 8.7366 122.6955 61.8424 70.5427 174.4050 95 F 5.0794 9.1067 126.4695 56.2671 40.4027 177.4035 96 E 4.1191 8.9453 119.4539 58.7696 29.6846 177.4385 97 D 4.7684 8.4379 117.7583 53.0587 39.5978 177.1090 98 K 4.0493 8.3573 117.3578 56.6004 30.3926 176.6183 99 G 3.0840 8.0239 107.5482 46.2283 0.0000 173.0861 100 I 5.2102 8.1284 124.4665 59.5820 41.1913 174.0549 101 C 5.3011 9.2321 124.7338 57.9976 31.2217 172.8913 102 T 4.8864 8.7074 113.2789 59.9085 71.1027 172.9790 103 I 4.9964 8.7559 126.0841 59.4060 41.7472 174.4860 104 R 4.7527 8.6848 124.1787 54.3192 33.8805 174.4606 105 S 4.5938 7.7604 117.0506 56.2174 66.2972 171.8039 106 D 4.9303 8.6697 126.1553 52.5281 43.3991 174.7537 107 I 4.8692 8.2418 127.8184 59.9237 38.8268 174.9320 108 S 5.3478 9.2184 121.8949 56.2997 66.7500 172.7341 109 L 5.0871 8.8665 122.0966 53.3380 44.3015 175.0050 110 E 4.5753 9.0375 127.6954 55.0504 32.3770 175.8050 111 G 3.7329 8.2746 116.5570 47.1888 0.0000 173.5031 112 D 4.5622 8.6988 125.0319 52.5791 39.8023 174.2911 113 C 5.2222 7.8984 121.4425 57.8323 34.3284 172.6202 114 F 5.0529 9.1744 125.6006 56.9855 40.3699 174.2771 115 F 5.4122 9.8252 126.8775 56.9980 41.2007 174.4225 116 Q 4.7163 8.9138 126.8631 54.3304 30.5881 174.3538 117 N 4.6913 8.4661 124.8803 51.8205 40.4998 173.5521 118 V 4.6502 8.8122 127.1475 60.9654 34.8445 174.2980 119 R 5.0492 9.1299 126.3954 54.3219 33.2454 174.3454 120 F 5.0817 9.1401 126.1004 56.1405 42.6946 173.3448 121 K 5.1383 8.7791 127.2779 54.5287 35.0716 174.7434 122 G 4.8296 9.6389 114.9188 44.7782 0.0000 171.8994 123 T 5.0312 8.6242 113.3208 60.1903 72.9903 173.1213 124 N 4.3214 8.7224 117.5575 54.5362 37.2920 173.7466 125 F 4.4008 7.9945 115.0331 55.5961 39.6857 174.1312 126 P 4.4343 0.0000 0.0000 61.9158 31.8592 175.6458 127 P 4.2653 0.0000 0.0000 65.5453 31.3347 177.0352 128 N 4.5810 8.0735 112.3575 53.0033 38.0489 175.7589 129 G 3.7678 7.8406 107.3687 43.6773 0.0000 172.8714 130 P 4.1401 0.0000 0.0000 64.9649 31.2081 179.0585 131 V 3.2648 7.1610 118.1865 66.3479 31.3655 177.7735 132 M 4.3032 7.7034 116.3052 57.8886 32.0336 177.7165 133 Q 4.1381 7.9273 115.6203 54.8854 30.1552 175.6281 134 K 3.6386 7.5437 118.6455 57.8964 29.7051 174.9881 135 K 4.5910 8.1945 114.6551 56.3109 33.8750 178.0493 136 T 4.4190 7.6631 110.6794 61.7956 69.4929 174.1819 137 L 4.5865 8.8696 124.3014 55.9500 43.0284 176.6171 138 K 4.4462 7.3549 114.9994 55.6012 35.7142 173.9946 139 W 4.9433 8.7142 121.1604 56.4243 29.5977 176.5694 140 E 4.3038 9.2584 124.4952 55.8582 29.6395 175.3498 141 P 4.6791 0.0000 0.0000 63.0917 32.5062 175.2134 142 S 4.7396 8.8915 115.2348 57.2945 67.3631 172.7808 143 T 4.9691 8.2253 115.6161 61.7864 71.3888 173.4000 144 E 4.5392 9.4622 128.8221 55.2081 31.5971 174.6348 145 K 4.7993 9.1900 128.4452 54.8349 34.4163 174.8415 146 L 5.4268 8.5265 127.1034 53.2493 45.3956 175.2509 147 H 5.1481 8.8332 117.3678 54.1205 32.7250 172.0793 148 V 4.4726 8.2054 118.8627 61.8478 32.8836 175.3045 149 R 4.4486 8.9836 127.2130 56.0374 33.0526 174.6561 150 D 4.4531 9.7968 126.2102 55.6724 38.4542 174.1157 151 G 3.9827 8.2550 101.4958 46.1629 0.0000 173.0827 152 L 4.8870 7.6128 118.6973 52.4660 45.7753 174.9977 153 L 4.6676 7.7270 123.0437 53.6274 43.7897 175.2282 154 V 4.7861 8.9087 126.7546 60.9988 34.3024 174.1812 155 G 4.9766 9.1362 115.2107 43.8141 0.0000 171.8159 156 N 5.7531 9.3738 121.1447 51.4282 42.5595 173.7098 157 I 4.7508 8.4704 122.4526 59.8537 41.9904 174.1376 158 N 4.8078 8.8531 124.7046 53.0292 38.6275 174.4067 159 M 4.5891 8.9518 124.2342 53.7261 35.1610 175.3741 160 A 5.1868 8.4564 121.1965 50.7393 23.2604 174.9308 161 L 4.8011 9.1236 123.1201 52.7872 43.7018 176.0024 162 L 4.3442 8.7896 127.5202 55.2899 43.1716 175.7882 163 L 4.9814 8.7270 126.4880 52.6048 44.3083 175.8459 164 E 3.9687 8.8779 123.5087 58.2137 29.8370 177.3980 165 G 3.7466 8.8282 113.5484 45.2888 0.0000 174.1802 166 G 3.8647 7.6998 103.8426 45.9692 0.0000 174.5743 167 G 4.0768 8.7242 103.3221 45.5001 0.0000 171.8819 168 H 5.4548 8.3142 114.4964 53.9473 32.6556 172.6744 169 Y 5.0861 9.1729 123.6905 56.0542 40.8202 174.7032 170 L 4.9610 9.7079 127.6524 54.5160 43.8391 175.6329 171 C 5.0288 8.9833 121.6061 58.0576 35.6022 172.1160 172 D 5.3072 9.3605 126.2921 52.8685 42.8944 175.1763 173 F 5.1861 9.0686 122.7098 55.7117 41.2771 174.5596 174 K 5.0051 8.7120 125.2745 54.8556 34.6794 174.7240 175 T 4.8922 9.0209 124.0432 61.9345 72.2309 172.9615 176 T 4.8141 8.8750 122.7344 62.0840 70.8748 172.8216 177 Y 5.4360 9.0986 125.1153 56.5965 40.5477 175.0897 178 K 4.9442 9.8704 124.5155 54.5182 34.9366 175.0716 179 A 4.3389 9.2614 130.2016 51.5660 19.0274 176.7786 180 K 4.5981 8.3538 120.4000 55.7542 32.6896 176.5985 181 K 4.2844 7.4074 117.2037 55.6642 34.6839 175.0023 182 V 3.6271 8.2906 120.2026 63.0708 31.6363 175.6504 183 V 4.4536 7.9124 119.8996 59.0032 34.8659 175.1813 184 Q 4.2167 8.6933 120.4472 55.8414 29.3176 175.7395 185 L 4.5346 8.2394 121.3092 53.0156 43.0533 174.8540 186 P 4.5903 0.0000 0.0000 62.0073 32.4565 175.4850 187 D 4.6381 8.4209 119.3407 53.2854 41.7579 176.0206 188 A 4.3811 8.3638 122.5145 53.2213 18.8345 176.7000 189 H 4.7539 8.7539 116.9313 54.6255 32.5056 171.9073 190 F 5.2849 9.2442 115.9432 55.8933 42.8752 174.7911 191 V 4.5989 8.6621 121.8675 61.1909 34.0053 174.1680 192 D 5.1001 8.8200 128.5652 54.1659 42.3264 175.4068 193 H 5.4126 9.2518 119.5651 54.1206 33.4071 172.9203 194 R 4.8461 9.1708 121.1326 55.1830 33.1997 173.3589 195 I 5.1127 8.5612 126.7145 59.5205 40.4380 174.4728 196 E 4.9068 9.2973 127.4244 55.0035 34.3664 174.3680 197 I 4.5073 8.6117 125.4152 61.3909 37.2434 175.8748 198 L 4.3381 9.0711 127.9455 55.5957 42.5731 177.1662 199 G 4.1445 7.7643 104.1723 46.0000 0.0000 172.0323 200 N 5.3135 8.4311 117.7683 51.6495 40.3420 173.5066 201 D 4.3718 8.2570 120.4307 52.3332 42.0141 177.0703 202 S 3.8145 8.1847 112.2861 61.4097 63.3820 176.3420 203 D 5.0251 7.7249 119.1873 54.8392 41.4932 176.3313 204 Y 3.6252 7.9081 112.1897 58.9516 36.4784 172.2306 205 N 4.5871 7.8555 118.8768 55.5134 40.0467 175.4832 206 K 5.0589 8.8374 118.4570 54.4185 35.6776 175.8561 207 V 4.6254 8.7922 124.4677 60.9231 35.1737 173.6992 208 K 4.9802 9.3427 129.7141 54.9025 33.9335 174.6439 209 L 5.3712 9.1763 129.5456 53.4756 45.4945 174.3730 210 Y 5.3473 9.1361 126.0123 55.9081 42.6874 173.5302 211 E 4.9590 8.5786 125.4139 54.6025 33.8826 173.4386 212 H 5.3497 8.9704 124.4833 54.3629 33.4608 171.9801 213 A 5.1146 9.2313 126.5889 50.5995 23.1074 175.0988 214 V 4.6521 8.6489 121.1525 61.2284 35.0354 174.1914 215 A 4.7848 8.2463 130.1280 51.5581 19.7942 176.2473 216 R 4.3903 8.6347 115.5901 55.6050 33.4644 174.0674 217 Y 5.0470 8.2479 118.1233 56.7489 39.8285 175.2967 218 S 4.0595 9.1189 114.9393 58.3453 62.7229 172.4146 219 P 4.4355 0.0000 0.0000 64.1130 31.7577 176.0432 220 L 4.3447 7.4918 120.1095 52.9786 42.1070 174.9759 221 P 4.3764 0.0000 0.0000 62.2370 31.9671 176.3318 222 S 4.3067 8.4463 117.0069 58.5314 62.9210 174.0744 223 Q 4.2781 8.5836 124.7291 56.7123 29.2261 175.9707 224 V 4.4285 7.2927 117.8299 60.0874 33.6903 174.9307 225 W 4.2190 8.9266 135.0000 57.7430 31.1240 173.2083 226 H 4.2759 6.6144 118.5004 56.3769 31.0460 174.5410 227 H 3.9074 7.6905 115.8608 54.6014 29.8059 174.6743 228 H 4.5301 8.2054 119.2743 55.7114 31.0881 174.9832 229 H 4.6484 7.4716 120.7238 54.2785 27.2759 173.7303 230 H 4.8255 7.7823 120.6056 54.5811 32.5982 173.9036 231 H 4.3093 8.1297 117.6705 56.0833 29.8642 174.3988 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 3 L 8.18 4.25 0.00 1.65 1.82 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 4 I 7.77 3.78 1.92 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 1.38 0.74 0.71 0.00 0.00 5 K 9.10 4.75 0.00 1.77 1.80 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.62 7.81 6 E 8.85 4.41 0.00 2.11 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 0.00 2.46 2.34 0.00 7 D 8.07 5.63 0.00 2.58 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 8 M 9.25 5.03 0.00 2.13 2.31 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.92 0.00 9 R 9.14 5.08 0.00 1.76 1.91 0.00 3.10 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 10 V 8.78 5.01 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 1.12 0.00 0.00 1.08 0.00 0.00 11 K 9.70 5.12 0.00 1.96 1.98 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.60 1.61 7.81 12 V 8.96 4.90 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 1.01 0.00 0.00 1.00 0.00 0.00 13 H 8.92 5.37 0.00 3.49 3.17 0.00 5.77 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 M 9.00 5.16 0.00 2.10 1.88 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 15 E 9.04 4.58 0.00 1.85 1.75 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 2.28 2.42 0.00 16 G 8.22 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 N 8.85 5.41 0.00 2.79 2.66 0.00 0.00 7.00 7.26 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 18 V 8.96 4.85 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 0.59 0.00 0.00 0.52 0.00 0.00 19 N 10.27 4.35 0.00 2.93 2.94 0.00 0.00 7.23 7.97 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 20 G 8.57 3.93 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 0.00 0.00 0.00 21 H 8.29 4.50 0.00 3.33 3.60 0.00 5.59 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.37 4.95 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 23 F 8.32 5.02 0.00 3.31 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 8.93 4.86 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 0.93 0.00 0.00 1.02 0.00 0.00 25 I 8.95 5.18 2.00 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 1.38 0.90 1.03 0.00 0.00 26 E 9.27 5.28 0.00 1.96 1.89 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 2.37 2.34 0.00 27 G 9.35 4.72 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 28 E 8.98 5.34 0.00 2.14 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 0.00 2.24 2.37 0.00 29 G 8.88 4.03 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 0.00 30 K 8.60 5.16 0.00 1.86 1.91 0.00 1.39 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.42 7.81 31 G 8.89 4.05 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 0.00 0.00 0.00 32 K 9.07 5.81 0.00 1.77 1.86 0.00 1.77 0.00 0.00 2.16 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.65 1.31 7.81 33 P 0.00 3.83 0.00 1.50 1.46 0.00 3.88 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.71 0.00 34 Y 7.84 4.41 0.00 3.04 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 35 E 8.17 4.44 0.00 2.04 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 0.00 2.34 2.34 0.00 36 G 7.89 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 0.00 0.00 0.00 37 T 7.72 5.44 4.18 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 1.03 0.00 0.00 38 Q 7.56 4.83 0.00 1.59 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 1.94 2.05 0.00 39 T 8.59 5.27 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 1.33 0.00 0.00 40 A 9.60 5.23 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 41 N 9.27 5.38 0.00 2.62 2.75 0.00 0.00 6.98 6.45 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 42 L 9.21 5.31 0.00 1.65 1.71 1.18 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 43 T 9.06 5.11 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 1.25 0.00 0.00 44 V 8.70 4.09 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 0.85 0.00 0.00 1.03 0.00 0.00 45 K 9.43 4.38 0.00 1.87 1.91 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.69 7.81 46 E 8.11 4.67 0.00 1.93 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 47 G 9.47 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 0.00 0.00 0.00 48 A 7.60 4.16 1.33 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 0.00 0.00 0.00 49 P 0.00 4.48 0.00 2.14 2.04 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 50 L 8.29 3.57 0.00 1.17 0.45 0.40 0.59 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 51 P 0.00 4.61 0.00 2.16 2.05 0.00 3.33 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.70 0.00 52 F 6.59 4.92 0.00 2.82 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.81 3.83 0.00 3.64 3.63 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 54 Y 8.18 3.79 0.00 2.49 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 55 D 8.02 4.55 0.00 2.52 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 56 I 7.36 4.37 2.28 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.53 0.80 0.00 0.00 57 L 8.04 4.08 0.00 1.37 1.43 0.08 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.96 4.08 4.50 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 1.62 0.00 0.00 59 T 8.29 3.98 4.28 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 0.82 0.00 0.00 60 A 8.15 4.75 1.79 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 0.00 0.00 61 V 7.38 3.77 2.39 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 0.85 0.00 0.00 1.04 0.00 0.00 *65 N 7.64 4.69 0.00 3.03 2.96 0.00 0.00 7.07 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 66 R 8.33 3.80 0.00 0.67 0.66 0.00 3.15 0.00 0.00 2.71 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.60 0.00 67 V 7.74 3.50 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 -0.28 0.00 0.00 0.91 0.00 0.00 68 F 7.76 4.45 0.00 3.03 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 69 T 7.13 4.97 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 0.97 0.00 0.00 70 K 8.82 4.35 0.00 1.97 1.70 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.62 7.81 71 Y 8.55 4.84 0.00 3.01 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 72 P 0.00 4.56 0.00 2.40 2.17 0.00 3.58 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.84 0.00 73 E 8.71 4.04 0.00 2.12 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 0.00 2.31 2.33 0.00 74 D 8.08 4.69 0.00 2.91 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 75 I 7.44 4.40 1.91 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.36 0.76 0.00 0.00 76 P 0.00 4.02 0.00 1.98 1.97 0.00 3.67 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.10 0.00 77 D 8.12 3.57 0.00 2.31 2.33 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 0.00 78 Y 7.76 3.69 0.00 2.45 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 0.00 0.00 0.00 79 F 7.30 3.96 0.00 2.93 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 80 K 8.29 4.20 0.00 1.75 1.85 0.00 1.63 0.00 0.00 1.19 0.00 0.00 2.13 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.26 1.40 7.81 81 Q 7.72 4.09 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.97 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 82 S 7.60 4.00 0.00 3.95 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 83 F 7.07 4.69 0.00 3.24 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 84 P 0.00 4.79 0.00 2.23 2.27 0.00 3.55 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 85 E 8.11 3.94 0.00 2.03 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 2.29 2.36 0.00 86 G 9.18 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 7.49 5.25 0.00 3.14 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 9.30 5.12 0.00 3.86 3.87 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 89 W 8.57 5.92 0.00 3.30 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.28 5.26 0.00 1.90 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 2.14 2.20 0.00 91 R 9.37 5.16 0.00 1.87 1.94 0.00 2.71 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.34 0.00 92 T 8.66 4.81 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 1.13 0.00 0.00 93 M 9.17 4.43 0.00 1.55 1.89 0.00 0.00 0.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.89 0.00 94 T 8.74 4.63 4.18 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 1.19 0.00 0.00 95 F 9.11 5.08 0.00 3.18 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 96 E 8.95 4.12 0.00 2.17 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 0.00 2.45 2.47 0.00 97 D 8.44 4.77 0.00 2.92 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 98 K 8.36 4.05 0.00 1.99 2.04 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.40 7.81 99 G 8.02 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 0.00 0.00 0.00 100 I 8.13 5.21 1.76 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 1.18 0.89 0.83 0.00 0.00 101 C 9.23 5.30 0.00 2.77 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 0.00 102 T 8.71 4.89 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 1.11 0.00 0.00 103 I 8.76 5.00 2.05 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.18 1.04 0.00 0.00 104 R 8.68 4.75 0.00 1.52 1.55 0.00 3.06 0.00 0.00 3.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.41 0.00 105 S 7.76 4.59 0.00 2.83 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 0.00 106 D 8.67 4.93 0.00 2.59 2.37 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 0.00 107 I 8.24 4.87 1.39 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.61 1.28 0.00 0.00 108 S 9.22 5.35 0.00 4.03 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 0.00 109 L 8.87 5.09 0.00 1.58 1.83 -0.04 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 110 E 9.04 4.58 0.00 2.01 1.75 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 2.17 2.20 0.00 111 G 8.27 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 0.00 112 D 8.70 4.56 0.00 2.79 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 0.00 113 C 7.90 5.22 0.00 3.01 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 0.00 114 F 9.17 5.05 0.00 3.21 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 0.00 115 F 9.83 5.41 0.00 3.10 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 0.00 116 Q 8.91 4.72 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.54 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 117 N 8.47 4.69 0.00 2.27 2.49 0.00 0.00 6.34 7.31 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 0.00 118 V 8.81 4.65 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 1.00 0.00 0.00 0.86 0.00 0.00 119 R 9.13 5.05 0.00 1.66 1.72 0.00 3.10 0.00 0.00 2.98 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 120 F 9.14 5.08 0.00 3.17 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 0.00 121 K 8.78 5.14 0.00 1.79 1.50 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.28 1.35 7.81 122 G 9.64 4.83 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 0.00 123 T 8.62 5.03 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 1.21 0.00 0.00 124 N 8.72 4.32 0.00 2.75 2.91 0.00 0.00 7.05 7.02 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 0.00 125 F 7.99 4.40 0.00 3.25 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 0.00 126 P 0.00 4.43 0.00 2.20 1.99 0.00 3.85 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.15 0.00 127 P 0.00 4.27 0.00 2.04 2.13 0.00 3.68 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 2.04 2.10 0.00 128 N 8.07 4.58 0.00 2.80 2.91 0.00 0.00 5.99 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.84 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.14 0.00 1.88 2.00 0.00 3.12 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.95 0.00 131 V 7.16 3.26 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 0.12 0.00 0.00 0.50 0.00 0.00 132 M 7.70 4.30 0.00 2.02 2.33 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.61 0.00 133 Q 7.93 4.14 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.64 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 134 K 7.54 3.64 0.00 1.76 1.70 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.17 1.32 7.81 135 K 8.19 4.59 0.00 1.51 1.69 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.41 7.81 136 T 7.66 4.42 4.05 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 1.08 0.00 0.00 137 L 8.87 4.59 0.00 1.59 1.74 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 138 K 7.35 4.45 0.00 1.87 1.91 0.00 1.58 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.49 7.81 139 W 8.71 4.94 0.00 3.26 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 0.00 140 E 9.26 4.30 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.46 0.00 141 P 0.00 4.68 0.00 1.94 2.09 0.00 3.67 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 2.05 2.13 0.00 142 S 8.89 4.74 0.00 3.69 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 0.00 143 T 8.23 4.97 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 1.34 0.00 0.00 144 E 9.46 4.54 0.00 2.06 1.96 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 2.30 2.41 0.00 145 K 9.19 4.80 0.00 1.87 1.63 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.13 1.10 7.81 146 L 8.53 5.43 0.00 1.25 1.32 0.83 1.11 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 0.00 147 H 8.83 5.15 0.00 3.09 3.26 0.00 5.25 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 8.21 4.47 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 0.80 0.00 0.00 0.91 0.00 0.00 149 R 8.98 4.45 0.00 1.85 1.64 0.00 3.34 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 150 D 9.80 4.45 0.00 2.80 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 G 8.26 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 0.00 152 L 7.61 4.89 0.00 1.70 1.69 0.94 0.36 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 0.00 153 L 7.73 4.67 0.00 0.59 0.63 0.74 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 154 V 8.91 4.79 1.75 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 0.90 0.00 0.00 0.85 0.00 0.00 155 G 9.14 4.98 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 0.00 156 N 9.37 5.75 0.00 2.64 2.68 0.00 0.00 6.55 7.72 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 0.00 157 I 8.47 4.75 1.49 0.00 0.00 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 1.17 0.64 0.68 0.00 0.00 158 N 8.85 4.81 0.00 2.57 2.76 0.00 0.00 7.00 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 0.00 159 M 8.95 4.59 0.00 1.39 1.60 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.77 0.00 160 A 8.46 5.19 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 0.00 161 L 9.12 4.80 0.00 1.79 1.50 0.88 -0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 162 L 8.79 4.34 0.00 1.83 1.55 0.81 0.37 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 0.00 163 L 8.73 4.98 0.00 1.83 1.49 0.89 0.67 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 0.00 164 E 8.88 3.97 0.00 1.83 1.95 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 2.30 2.25 0.00 165 G 8.83 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 0.00 0.00 0.00 166 G 7.70 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 0.00 167 G 8.72 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 0.00 0.00 0.00 168 H 8.31 5.45 0.00 3.04 3.25 0.00 5.86 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 Y 9.17 5.09 0.00 2.96 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 0.00 170 L 9.71 4.96 0.00 1.62 1.57 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 171 C 8.98 5.03 0.00 2.60 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 0.00 172 D 9.36 5.31 0.00 2.56 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 0.00 173 F 9.07 5.19 0.00 2.69 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 0.00 174 K 8.71 5.01 0.00 1.79 1.57 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.34 7.81 175 T 9.02 4.89 3.71 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 0.43 0.00 0.00 176 T 8.87 4.81 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 1.21 0.00 0.00 177 Y 9.10 5.44 0.00 2.91 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 0.00 178 K 9.87 4.94 0.00 1.89 1.91 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.46 7.81 179 A 9.26 4.34 0.82 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 0.00 180 K 8.35 4.60 0.00 1.75 1.79 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.38 7.81 181 K 7.41 4.28 0.00 1.75 1.67 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.15 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.14 1.29 7.81 182 V 8.29 3.63 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 0.80 0.00 0.00 0.91 0.00 0.00 183 V 7.91 4.45 1.95 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 0.57 0.00 0.00 0.48 0.00 0.00 184 Q 8.69 4.22 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.47 2.31 0.00 185 L 8.24 4.53 0.00 1.68 1.64 0.95 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 186 P 0.00 4.59 0.00 2.22 2.22 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 187 D 8.42 4.64 0.00 2.91 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 0.00 188 A 8.36 4.38 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 H 8.75 4.75 0.00 3.21 3.29 0.00 5.21 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 F 9.24 5.28 0.00 2.88 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 0.00 191 V 8.66 4.60 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 0.54 0.00 0.00 0.81 0.00 0.00 192 D 8.82 5.10 0.00 2.55 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 0.00 193 H 9.25 5.41 0.00 2.90 3.06 0.00 5.58 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 R 9.17 4.85 0.00 1.85 1.85 0.00 3.18 0.00 0.00 3.38 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 195 I 8.56 5.11 1.89 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.31 1.05 0.00 0.00 196 E 9.30 4.91 0.00 2.08 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 2.34 2.45 0.00 197 I 8.61 4.51 1.98 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.64 1.03 0.00 0.00 198 L 9.07 4.34 0.00 1.48 1.68 0.85 0.74 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 0.00 199 G 7.76 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 0.00 0.00 0.00 200 N 8.43 5.31 0.00 1.92 2.31 0.00 0.00 6.04 8.06 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 0.00 201 D 8.26 4.37 0.00 2.74 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 0.00 202 S 8.18 3.81 0.00 3.83 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 0.00 203 D 7.72 5.03 0.00 2.66 2.62 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 0.00 204 Y 7.91 3.63 0.00 2.94 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 N 7.86 4.59 0.00 3.11 2.87 0.00 0.00 6.83 7.70 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 0.00 206 K 8.84 5.06 0.00 1.67 1.62 0.00 1.57 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.32 7.81 207 V 8.79 4.63 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 0.71 0.00 0.00 0.32 0.00 0.00 208 K 9.34 4.98 0.00 1.81 1.64 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.54 7.81 209 L 9.18 5.37 0.00 1.85 1.53 1.11 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 210 Y 9.14 5.35 0.00 3.09 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 0.00 211 E 8.58 4.96 0.00 1.90 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 2.25 2.20 0.00 212 H 8.97 5.35 0.00 3.21 3.09 0.00 5.64 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 0.00 213 A 9.23 5.11 1.17 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 0.00 0.00 214 V 8.65 4.65 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 1.01 0.00 0.00 0.90 0.00 0.00 215 A 8.25 4.78 0.19 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 0.00 0.00 216 R 8.63 4.39 0.00 1.85 1.95 0.00 2.71 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 217 Y 8.25 5.05 0.00 2.99 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 0.00 218 S 9.12 4.06 0.00 3.97 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 0.00 219 P 0.00 4.44 0.00 2.20 2.13 0.00 3.68 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 220 L 7.49 4.34 0.00 1.70 1.65 0.90 0.77 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 0.00 221 P 0.00 4.38 0.00 2.06 2.00 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 222 S 8.45 4.31 0.00 3.87 3.78 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 0.00 223 Q 8.58 4.28 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.47 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 224 V 7.29 4.43 2.13 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 0.84 0.00 0.00 0.97 0.00 0.00 225 W 8.93 4.22 0.00 3.29 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 0.00 226 H 6.61 4.28 0.00 2.97 2.94 0.00 5.78 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 H 7.69 3.91 0.00 2.95 3.01 0.00 5.53 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 0.00 228 H 8.21 4.53 0.00 3.05 3.20 0.00 5.70 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 H 7.47 4.65 0.00 3.01 3.15 0.00 5.92 0.00 0.00 0.00 0.00 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 230 H 7.78 4.83 0.00 3.19 3.18 0.00 5.87 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 H 8.13 4.31 0.00 3.24 3.08 0.00 5.81 0.00 0.00 0.00 0.00 6.91 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.