NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.5927 8.3293 119.6292 55.9945 30.1345 173.9666 3 S 4.5181 8.5963 117.8743 55.8456 67.2608 171.6684 4 W 5.1410 9.3808 121.1984 56.7807 31.2211 176.3150 5 Y 5.5456 9.7663 118.6974 56.2044 42.9985 173.9782 6 L 4.5930 8.9913 123.3084 53.6214 44.2713 174.8944 7 L 4.9401 8.9293 127.3804 53.3726 44.3003 175.0224 8 Y 4.6685 8.4612 123.4900 56.0183 40.9873 174.2539 9 C 5.1516 7.6415 123.4651 57.3122 31.3166 174.0694 10 K 4.0006 9.1777 121.0531 57.4770 32.5316 179.4041 11 R 3.6478 8.0429 123.1158 59.0739 31.0054 177.7401 12 G 4.1641 7.7483 102.5395 44.8440 0.0000 172.8713 13 Q 4.4667 8.0815 117.1182 55.2356 28.7994 177.0276 14 L 3.8816 7.6627 124.0439 58.2676 41.9890 178.5359 15 Q 3.9479 8.0448 118.8262 59.4528 29.0028 178.5336 16 R 4.1816 8.1791 119.4453 58.6849 30.1505 178.7494 17 A 3.9493 8.3473 120.9946 55.1486 18.2669 179.3326 18 Q 3.9215 8.3218 118.2671 59.3920 28.5515 178.4495 19 E 3.9497 7.9493 119.5665 59.6652 29.5373 178.6376 20 H 4.0539 8.0065 117.5735 59.5013 29.7893 177.3020 21 L 4.2719 7.9763 118.9177 57.1485 41.4248 178.6966 22 E 4.5818 7.5141 118.9451 57.9150 29.9119 178.4380 23 R 4.0274 8.0168 117.8398 58.1017 30.6820 177.2314 24 Q 4.1850 7.9343 119.2470 54.9643 29.8270 176.1788 25 A 4.2166 8.3944 123.4101 53.4395 18.2367 178.1362 26 V 3.9792 7.6108 117.4271 62.9658 33.0368 174.6177 27 N 5.0775 8.6545 124.4394 52.5809 39.9896 174.0186 28 C 5.6584 8.8184 120.3812 58.1909 32.0713 173.7824 29 L 4.4935 8.9856 122.8826 54.2270 44.4807 174.2415 30 A 4.8631 8.5269 129.0230 48.6720 18.6316 173.1603 31 P 4.3933 0.0000 0.0000 62.9843 33.0084 175.1137 32 M 5.1522 8.5251 120.8868 53.6455 35.4326 175.1184 33 I 4.4372 9.0255 122.2643 59.8282 40.9324 174.8696 34 T 4.7630 8.4450 123.6495 62.7120 68.9181 174.0705 35 L 4.7846 8.8920 126.4969 52.8626 46.2222 176.2679 36 E 4.5686 8.7420 121.1021 55.2161 29.0712 175.2422 37 K 4.6488 8.3009 125.2031 54.1269 36.0781 175.2848 38 I 4.3709 8.1927 125.2062 60.7722 36.4278 175.9098 39 V 3.8725 7.9439 127.9261 64.1422 32.5833 176.6627 40 R 4.5031 7.0346 117.0494 54.5413 30.7554 176.7316 41 G 4.0485 8.2692 105.8062 45.4281 0.0000 171.3323 42 K 4.5233 7.5970 118.9456 54.5032 34.8043 176.5522 43 R 4.5990 8.2385 123.6749 55.5722 27.7599 175.1730 44 T 4.4160 8.1350 117.1737 62.1043 70.5048 174.9722 45 A 4.3073 8.6222 128.1892 52.3524 19.2248 176.5517 46 V 4.4872 9.5138 121.4143 61.1542 36.1696 174.2032 47 S 4.9862 8.6211 117.4454 56.7205 64.3557 172.4877 48 E 4.8699 8.9186 126.1490 53.3615 33.7179 174.0341 49 P 4.6719 0.0000 0.0000 62.4359 32.0662 176.5736 50 L 3.7524 8.5991 126.0335 57.5621 41.8854 177.6571 51 F 4.9423 7.0311 120.0511 55.8103 41.3573 174.0324 52 P 4.5237 0.0000 0.0000 57.7741 34.0186 178.1323 53 N 4.4378 8.9250 122.0478 55.3658 38.4665 173.1804 54 Y 4.8533 8.6659 117.0445 57.4019 39.8202 175.4355 55 L 4.7523 9.0222 124.3933 53.9364 45.5139 175.1789 56 F 5.1150 9.5845 125.7954 57.9143 40.4549 175.1498 57 V 5.1907 10.2665 115.8204 59.7972 36.1443 174.0282 58 E 4.7606 8.9931 126.1269 53.6214 31.5185 174.6024 59 F 5.1677 8.3714 120.7341 56.2568 42.0744 172.3375 60 D 4.8659 8.5749 118.2024 51.8993 41.8126 174.5846 61 P 4.2736 0.0000 0.0000 65.9943 31.6019 177.6544 62 E 4.0962 7.7392 116.2424 59.3363 29.6628 178.7917 63 V 3.7221 8.1184 118.1035 65.1974 31.7480 175.9884 64 I 4.5565 7.8035 120.0591 59.6744 39.5792 174.5679 65 H 5.0688 8.5057 120.3232 54.6708 30.7378 177.0326 66 T 3.0302 7.4803 112.7494 64.8634 68.7771 176.2225 67 T 3.6370 6.7072 116.8715 67.0919 69.1385 175.8418 68 T 4.0089 8.3385 117.5223 66.8370 68.5185 177.0352 69 I 3.5226 7.7188 121.2110 64.1545 36.7782 177.8381 70 N 4.1965 8.0992 117.0409 56.7434 38.9726 176.4325 71 A 4.1412 7.4717 120.6978 54.0613 18.6122 177.9426 72 T 3.4285 7.0605 114.5818 63.8277 68.8296 173.5309 73 R 3.9954 8.3327 125.8085 58.7667 30.3308 176.4327 74 G 3.9889 8.8744 110.8966 44.3549 0.0000 172.7810 75 V 4.1994 7.6099 120.7372 61.8237 32.0677 175.4877 76 S 4.6102 8.5227 123.1322 60.9909 64.1745 173.6381 77 H 4.6437 7.5478 113.3193 55.0418 31.1246 172.7510 78 F 5.1803 8.9787 117.4061 55.9921 40.6487 176.4943 79 V 4.1400 8.7342 122.2869 63.0700 32.8726 175.2506 80 R 5.2016 8.3584 122.5217 53.3589 33.3650 173.6593 81 F 4.4498 8.4907 124.7546 59.3968 39.7021 175.5865 82 G 3.1834 8.3008 112.5419 45.7366 0.0000 172.7010 83 A 4.0216 8.6042 129.4100 55.3805 18.2076 178.2097 84 S 4.1127 7.8487 108.2320 60.8782 62.3854 172.5242 85 P 4.2710 0.0000 0.0000 62.8275 31.8298 175.6643 86 A 4.5109 8.2480 123.8015 51.7881 19.3139 177.3431 87 I 4.2369 8.7637 122.4283 60.9597 39.0800 175.6940 88 V 4.7617 8.0066 125.2464 59.9484 31.7892 173.6253 89 P 4.6106 0.0000 0.0000 61.9205 32.2370 177.0230 90 S 4.2007 8.6829 117.3655 58.1293 63.6748 174.9590 91 A 4.1666 8.8942 124.3959 55.9074 17.6630 180.3693 92 V 3.6242 7.7547 115.9018 65.8913 31.4625 178.1179 93 I 3.7138 7.3902 119.1372 64.5952 37.1631 177.7798 94 H 3.9415 7.7364 116.5120 58.6306 28.6798 177.2787 95 Q 4.3031 7.5259 121.0949 58.5300 28.4775 179.4297 96 L 3.6750 6.9050 117.8222 57.4578 41.4994 179.6051 97 S 4.0294 6.8750 114.7086 61.3656 62.8039 175.0095 98 V 3.6299 6.9685 114.2983 62.7177 31.8008 176.9926 99 Y 4.4759 6.4176 119.0600 60.4976 40.1350 179.2481 100 K 4.4195 7.7347 119.4357 56.1240 31.2339 178.0360 *115 K 4.3699 9.1176 128.0705 57.4258 33.8000 177.9507 116 V 3.6796 7.7299 115.5553 64.8493 31.6912 176.7580 117 I 4.3547 7.4735 117.3249 61.8152 39.1472 177.5074 118 I 4.4963 7.2437 121.7554 63.7205 37.2048 178.3141 119 T 3.7962 7.8706 116.5572 66.7250 68.1874 176.8324 120 E 4.3161 8.0697 117.9625 58.3085 29.8697 179.0879 121 G 4.0576 8.0117 107.1511 46.6315 0.0000 175.7569 122 A 4.1886 8.1051 123.8262 55.0086 18.6513 178.8827 123 F 3.7962 9.1710 114.1124 62.7786 39.4727 176.8544 124 E 4.2731 9.1914 118.2024 59.5959 30.0033 179.1967 125 G 3.4783 8.0335 105.2903 48.0610 0.0000 175.8894 126 F 3.7932 8.5569 121.1420 59.5608 38.5954 177.9288 127 Q 4.0400 7.7865 116.7319 58.8734 28.7432 178.3761 128 A 4.1428 7.8613 121.3321 55.2168 18.0828 179.7956 129 I 3.7165 7.5164 118.3457 64.3076 36.9506 177.9273 130 F 5.0113 8.3259 116.2219 58.8254 39.0426 175.9825 131 T 4.4260 7.6856 114.1008 63.0341 69.9268 173.7826 132 E 4.2330 7.7805 123.1199 54.6542 29.6531 173.8787 133 P 4.3889 0.0000 0.0000 65.4678 31.8836 176.6153 134 D 5.1036 7.9551 117.8456 51.5169 42.6547 177.5574 135 G 3.7171 8.5211 108.5587 48.1321 0.0000 175.5957 136 E 4.1463 8.5098 120.4622 59.5868 29.4232 179.4168 137 A 4.1063 8.8361 120.8783 55.0461 18.4168 179.9475 138 R 3.9304 7.6839 115.3731 59.4261 30.1804 179.0200 139 S 3.9422 8.8744 115.3869 62.1359 62.9576 176.5938 140 M 3.9701 7.6964 119.7794 58.7969 31.8111 178.8813 141 L 4.0602 7.8521 118.6407 57.6252 41.6269 179.6691 142 L 3.5219 8.2280 120.5470 57.8166 41.9526 178.7158 143 L 3.8096 7.9612 119.2095 58.0005 41.5408 179.1316 144 N 4.2514 8.5277 116.4440 56.5262 38.4469 177.2711 145 L 3.8403 7.7462 121.3815 57.9346 41.9798 179.1931 146 I 3.6488 7.8737 120.4013 64.1147 37.1799 177.6494 147 N 4.2354 8.4237 118.3233 56.9353 38.8576 176.4948 148 K 3.8364 8.2131 119.7741 59.7311 32.2034 178.7528 149 E 3.9252 8.5017 118.4243 59.7531 29.6130 179.8141 150 I 3.4466 7.8767 119.7955 64.2005 36.9924 178.4076 151 K 3.7904 7.5255 119.0394 59.8739 31.8178 178.7408 152 H 4.0272 8.0692 117.9896 59.2455 29.5315 177.0204 153 S 4.0522 7.7767 113.9168 61.8172 62.1920 176.0392 154 V 3.7292 7.4562 119.6773 65.6423 31.4652 177.7261 155 K 4.0373 8.4060 119.2006 58.6549 32.0888 176.8605 156 N 4.5285 8.1887 120.6209 53.2390 39.0658 174.0208 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 Q 8.33 4.59 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 3 S 8.60 4.52 0.00 3.58 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 4 W 9.38 5.14 0.00 3.50 3.34 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 5 Y 9.77 5.55 0.00 3.49 3.44 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 6 L 8.99 4.59 0.00 1.62 1.54 0.46 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.93 4.94 0.00 1.58 1.30 0.63 -0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.46 4.67 0.00 2.67 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 9 C 7.64 5.15 0.00 2.62 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 10 K 9.18 4.00 0.00 1.61 1.72 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.54 7.81 11 R 8.04 3.65 0.00 1.77 1.90 0.00 3.23 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 12 G 7.75 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 13 Q 8.08 4.47 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 14 L 7.66 3.88 0.00 1.61 1.62 0.98 0.80 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 15 Q 8.04 3.95 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 16 R 8.18 4.18 0.00 1.98 1.95 0.00 3.45 0.00 0.00 3.29 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.54 0.00 17 A 8.35 3.95 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 18 Q 8.32 3.92 0.00 2.27 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 19 E 7.95 3.95 0.00 2.16 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 2.34 2.56 0.00 20 H 8.01 4.05 0.00 3.24 3.49 0.00 5.79 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 21 L 7.98 4.27 0.00 1.65 1.67 0.85 0.70 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 22 E 7.51 4.58 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 23 R 8.02 4.03 0.00 1.79 1.95 0.00 3.30 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.74 0.00 24 Q 7.93 4.19 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.89 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 25 A 8.39 4.22 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.61 3.98 2.20 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 0.97 0.00 0.00 0.80 0.00 0.00 27 N 8.65 5.08 0.00 2.59 2.84 0.00 0.00 6.67 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 28 C 8.82 5.66 0.00 2.93 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.99 4.49 0.00 1.81 1.60 0.87 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.53 4.86 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.39 0.00 2.10 1.98 0.00 3.74 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 2.06 2.07 0.00 32 M 8.53 5.15 0.00 1.83 1.91 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 33 I 9.03 4.44 1.78 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.96 0.90 0.00 0.00 34 T 8.44 4.76 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 1.19 0.00 0.00 35 L 8.89 4.78 0.00 1.60 1.48 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.74 4.57 0.00 1.83 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 2.22 2.27 0.00 37 K 8.30 4.65 0.00 1.81 1.60 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.37 7.81 38 I 8.19 4.37 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 1.30 0.65 0.91 0.00 0.00 39 V 7.94 3.87 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 R 7.03 4.50 0.00 1.84 1.78 0.00 3.27 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 41 G 8.27 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 42 K 7.60 4.52 0.00 1.74 1.70 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.36 1.38 7.81 43 R 8.24 4.60 0.00 1.69 1.88 0.00 3.19 0.00 0.00 3.22 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 44 T 8.14 4.42 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 1.20 0.00 0.00 45 A 8.62 4.31 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 46 V 9.51 4.49 2.07 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 1.01 0.00 0.00 0.96 0.00 0.00 47 S 8.62 4.99 0.00 3.84 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.92 4.87 0.00 1.95 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 2.20 2.27 0.00 49 P 0.00 4.67 0.00 2.08 2.04 0.00 3.70 0.00 0.00 3.58 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 50 L 8.60 3.75 0.00 1.49 0.89 0.88 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 51 F 7.03 4.94 0.00 3.27 3.03 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 52 P 0.00 4.52 0.00 2.58 1.54 0.00 3.80 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 2.41 2.25 0.00 53 N 8.92 4.44 0.00 1.44 2.27 0.00 0.00 6.82 7.48 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 54 Y 8.67 4.85 0.00 3.07 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 55 L 9.02 4.75 0.00 1.69 1.50 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 56 F 9.58 5.11 0.00 3.14 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 57 V 10.27 5.19 2.31 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 0.76 0.00 0.00 1.35 0.00 0.00 58 E 8.99 4.76 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.47 0.00 59 F 8.37 5.17 0.00 3.14 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 60 D 8.57 4.87 0.00 2.74 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 61 P 0.00 4.27 0.00 2.05 2.11 0.00 3.66 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 2.06 2.05 0.00 62 E 7.74 4.10 0.00 1.90 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 63 V 8.12 3.72 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 0.79 0.00 0.00 0.95 0.00 0.00 64 I 7.80 4.56 2.02 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 0.92 0.89 0.00 0.00 65 H 8.51 5.07 0.00 3.34 3.51 0.00 5.47 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 66 T 7.48 3.03 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 0.99 0.00 0.00 67 T 6.71 3.64 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 1.20 0.00 0.00 68 T 8.34 4.01 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 69 I 7.72 3.52 2.06 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.10 0.51 0.00 0.00 70 N 8.10 4.20 0.00 2.94 2.87 0.00 0.00 7.16 8.09 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 71 A 7.47 4.14 1.29 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 72 T 7.06 3.43 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 1.03 0.00 0.00 73 R 8.33 4.00 0.00 1.73 1.86 0.00 3.15 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 74 G 8.87 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 75 V 7.61 4.20 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 0.57 0.00 0.00 0.88 0.00 0.00 76 S 8.52 4.61 0.00 4.08 4.06 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 77 H 7.55 4.64 0.00 3.26 3.44 0.00 5.44 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 8.98 5.18 0.00 2.99 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 79 V 8.73 4.14 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 1.07 0.00 0.00 1.18 0.00 0.00 80 R 8.36 5.20 0.00 1.84 2.17 0.00 3.34 0.00 0.00 3.51 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 81 F 8.49 4.45 0.00 2.90 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 82 G 8.30 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 0.00 0.00 0.00 83 A 8.60 4.02 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 84 S 7.85 4.11 0.00 3.82 3.85 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 85 P 0.00 4.27 0.00 2.28 2.03 0.00 3.73 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 2.13 2.12 0.00 86 A 8.25 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.76 4.24 1.95 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 1.30 1.20 0.98 0.00 0.00 88 V 8.01 4.76 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 0.69 0.00 0.00 0.72 0.00 0.00 89 P 0.00 4.61 0.00 2.07 1.99 0.00 4.05 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 2.28 2.14 0.00 90 S 8.68 4.20 0.00 3.99 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.89 4.17 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.75 3.62 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 1.06 0.00 0.00 0.94 0.00 0.00 93 I 7.39 3.71 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 1.65 0.65 1.00 0.00 0.00 94 H 7.74 3.94 0.00 3.17 2.84 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 95 Q 7.53 4.30 0.00 2.14 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 96 L 6.90 3.67 0.00 0.40 0.90 0.87 0.86 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 97 S 6.88 4.03 0.00 3.66 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 98 V 6.97 3.63 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 0.59 0.00 0.00 0.30 0.00 0.00 99 Y 6.42 4.48 0.00 3.25 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 7.73 4.42 0.00 1.72 1.17 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.52 1.58 7.81 *115 K 9.12 4.37 0.00 1.81 1.84 0.00 1.92 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.37 7.81 116 V 7.73 3.68 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.91 0.00 0.00 117 I 7.47 4.35 1.69 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.22 0.90 0.00 0.00 118 I 7.24 4.50 1.78 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 1.51 0.36 0.88 0.00 0.00 119 T 7.87 3.80 4.06 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 0.72 0.00 0.00 120 E 8.07 4.32 0.00 2.06 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 2.39 2.29 0.00 121 G 8.01 4.06 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 0.00 122 A 8.11 4.19 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 9.17 3.80 0.00 3.29 2.94 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 0.00 124 E 9.19 4.27 0.00 2.09 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 0.00 2.51 2.58 0.00 125 G 8.03 3.48 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 0.00 126 F 8.56 3.79 0.00 2.97 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 0.00 127 Q 7.79 4.04 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.52 0.00 128 A 7.86 4.14 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 0.00 129 I 7.52 3.72 1.61 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.71 1.12 0.00 0.00 130 F 8.33 5.01 0.00 3.24 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 0.00 131 T 7.69 4.43 4.27 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 1.23 0.00 0.00 132 E 7.78 4.23 0.00 2.12 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 133 P 0.00 4.39 0.00 2.08 2.13 0.00 3.71 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 134 D 7.96 5.10 0.00 2.93 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 0.00 135 G 8.52 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.51 4.15 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.57 0.00 137 A 8.84 4.11 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 138 R 7.68 3.93 0.00 2.23 2.30 0.00 3.30 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.71 0.00 139 S 8.87 3.94 0.00 4.19 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 0.00 140 M 7.70 3.97 0.00 2.05 2.31 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.79 0.00 141 L 7.85 4.06 0.00 1.87 1.61 0.95 0.49 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 0.00 142 L 8.23 3.52 0.00 1.09 1.24 -0.41 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.96 3.81 0.00 1.76 1.66 0.99 0.55 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 0.00 144 N 8.53 4.25 0.00 2.60 2.84 0.00 0.00 6.76 6.60 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 0.00 145 L 7.75 3.84 0.00 1.56 1.73 0.89 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 146 I 7.87 3.65 1.91 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.66 0.86 0.00 0.00 147 N 8.42 4.24 0.00 2.79 2.97 0.00 0.00 7.25 5.57 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 0.00 148 K 8.21 3.84 0.00 1.96 1.79 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.63 7.81 149 E 8.50 3.93 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 150 I 7.88 3.45 0.97 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.06 0.11 0.00 0.00 151 K 7.53 3.79 0.00 1.97 1.89 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.22 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.66 1.65 7.81 152 H 8.07 4.03 0.00 3.20 3.42 0.00 5.60 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 S 7.78 4.05 0.00 3.87 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 0.00 154 V 7.46 3.73 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.04 0.00 0.00 155 K 8.41 4.04 0.00 1.72 1.86 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.60 7.81 156 N 8.19 4.53 0.00 2.33 2.41 0.00 0.00 6.86 7.74 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 * Residues marked with a * may have inaccurate shift predictions.