NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3331 8.1593 110.9390 60.5256 70.1407 173.1315 2 P 4.2639 0.0000 0.0000 62.5590 31.8196 174.9057 3 Q 4.4407 8.1911 118.2667 56.0988 30.7762 176.4162 4 N 4.6679 7.2897 114.8840 50.9186 41.0601 174.9540 5 I 3.7006 8.0972 120.3262 64.2561 37.4789 178.0923 6 T 3.8189 7.8405 116.3147 66.8440 68.2579 176.4095 7 D 4.4131 8.1283 119.1944 56.9042 40.9097 178.3628 8 L 4.1341 7.8072 120.8557 58.2227 42.2375 178.0195 9 C 4.2134 8.1674 118.1229 59.6360 43.3330 175.1098 10 A 3.9621 7.5407 119.6602 53.9561 18.1618 178.7249 11 E 3.9109 7.8607 116.2829 57.0808 29.8968 176.3540 12 Y 4.7527 7.0781 115.9832 55.9862 40.9064 175.4005 13 H 4.4636 8.8246 120.3438 56.8222 30.2071 174.6901 14 N 4.3258 8.9425 116.8111 55.1324 35.7665 173.6930 15 T 5.7759 7.9689 105.4929 58.9376 72.6102 173.7042 16 Q 4.6445 8.2860 119.3287 54.7749 32.8706 173.2972 17 I 4.7524 8.1717 119.8769 60.1970 39.2522 175.0045 18 H 4.7989 8.7948 122.8320 54.4665 31.6192 173.2265 19 T 4.4836 8.5732 120.7376 62.5175 68.0453 174.4725 20 L 3.8575 8.4944 126.0466 56.3235 42.0144 177.6616 21 N 4.1832 7.7761 114.0331 53.0588 36.2290 172.8875 22 D 4.5241 7.7285 114.4775 53.1848 45.2663 174.9913 23 K 4.7532 8.6064 123.7629 56.3460 33.6492 176.5335 24 I 3.2768 8.0087 120.9499 61.0582 37.7266 176.1371 25 F 4.6300 8.5971 127.9419 60.4321 40.1868 175.8362 26 S 4.4998 7.8993 111.4488 56.7008 66.4909 172.4710 27 Y 4.9722 7.6899 122.2006 56.1267 41.5598 174.6604 28 T 4.5037 7.8252 122.1273 61.7079 72.5531 172.7579 29 E 4.9978 8.5271 123.2982 54.4559 33.1487 174.9125 30 S 4.7685 8.6567 114.6617 56.5155 65.8282 174.1559 31 L 4.6515 8.5873 124.4402 55.1181 41.3458 176.4806 32 A 4.1123 7.7661 123.4813 51.8589 18.9148 177.5476 33 G 3.8644 8.4371 110.1981 46.7732 0.0000 174.4785 34 K 3.9802 9.0848 121.6582 56.8637 30.6179 176.0110 35 R 4.6545 7.6207 116.9291 55.3846 30.1240 177.6770 36 E 4.7682 8.0916 118.8247 55.0556 30.0314 176.8162 37 M 4.8935 7.9605 121.1353 54.0978 35.4743 173.1319 38 A 5.0785 8.4832 118.5265 50.6029 23.4480 175.3862 39 I 5.2360 8.5365 119.7201 59.6295 41.8521 174.5150 40 I 5.7008 9.1627 119.7493 58.4019 40.8211 174.4847 41 T 5.3089 8.1569 113.2081 60.2229 72.8490 172.2988 42 F 5.2249 8.7721 120.2791 55.1392 42.4013 176.9629 43 K 3.1515 9.1007 119.0875 59.9907 32.0231 177.7178 44 N 4.5005 8.8054 113.4576 52.7573 38.9661 174.1694 45 G 3.2451 7.6229 108.3993 44.5891 0.0000 174.1348 46 A 3.9346 8.0287 124.2680 52.6911 19.2712 176.6820 47 T 4.9012 7.6622 117.9019 61.7796 72.3435 173.5094 48 F 5.3549 8.8813 122.3644 56.1720 43.5850 173.5176 49 Q 5.2413 9.2991 119.7914 54.4918 32.1838 174.1795 50 V 4.7545 8.2165 119.7741 61.0075 33.5184 175.1025 51 E 4.4501 8.8744 127.1451 55.4465 30.4473 176.9517 52 V 3.9693 8.2180 122.1012 61.9330 32.0742 174.2218 53 P 4.4941 0.0000 0.0000 63.2556 32.3490 176.1945 54 G 4.0550 8.0568 109.0816 45.4418 0.0000 173.4160 55 S 4.2565 8.6161 113.4570 60.3848 63.3164 174.9360 56 Q 4.0463 7.8382 117.7226 57.3455 28.7584 175.2082 57 H 5.0746 7.5341 116.6448 53.7260 31.0765 174.3066 58 I 4.0283 8.1770 117.8576 60.1928 38.7406 176.3622 59 D 4.3721 8.8618 120.5030 57.8032 40.6403 178.5946 60 S 4.3214 7.9755 112.1918 60.6252 63.5455 175.4545 61 Q 4.2943 8.2190 123.7583 57.9935 28.3121 178.8090 62 K 4.0083 7.8967 125.5802 59.6096 31.7136 184.7608 63 K 4.1593 8.0869 119.8622 59.7448 32.5544 178.7437 64 A 4.0958 7.8452 121.0135 54.3043 18.5853 179.6136 65 I 3.6929 7.8098 118.9221 64.6104 37.1067 178.1292 66 E 3.9944 7.8395 119.1631 59.5781 29.2124 179.5713 67 R 3.8911 7.7922 118.6796 59.6503 30.2857 178.2406 68 M 4.0540 8.0018 117.6601 58.5971 32.1928 178.3920 69 K 4.1670 8.1105 118.4383 59.3494 32.1986 179.0805 70 D 4.3460 7.9015 119.1258 57.7841 40.7957 178.8281 71 T 3.8815 8.2265 116.4884 66.7939 68.4445 176.5482 72 L 4.1672 7.9224 120.1922 57.3229 41.7234 179.4370 73 R 3.1869 7.7317 118.4773 59.1197 29.9467 178.6704 74 I 3.6165 7.8251 119.4217 64.3643 36.7736 178.3239 75 A 4.0891 7.9764 122.9647 54.5293 18.0048 179.1168 76 Y 3.9993 7.8899 118.0658 61.0266 38.7857 178.3290 77 L 3.6782 7.6665 118.1770 56.8231 41.6960 178.5137 78 T 4.1880 7.8079 108.4549 60.7938 68.9914 174.9345 79 E 3.5313 7.5317 119.7839 57.1648 27.8327 174.1826 80 A 4.2300 7.4601 119.9329 51.5351 18.9933 178.8069 81 K 4.2513 8.7833 122.7073 56.5477 33.0320 176.6820 82 V 4.2159 8.4876 124.7507 60.4288 33.2251 176.1325 83 E 4.1640 9.0107 126.9206 58.1402 30.1937 176.2768 84 K 5.1075 7.9586 115.7134 54.8431 37.7092 174.6911 85 L 5.0627 8.3566 120.9815 53.1158 45.3961 175.2164 86 C 4.9151 8.4259 124.5102 56.3099 42.4241 172.7179 87 V 4.9080 8.2392 117.6785 59.3625 36.4100 174.4270 88 W 5.3068 9.3807 124.3644 55.8116 29.6546 176.5726 89 N 4.4932 9.0539 122.2454 53.0513 37.4893 175.2209 90 N 4.8178 8.2364 116.2641 52.8064 37.8516 174.6054 91 K 4.7150 7.8298 116.9928 55.1007 35.5840 175.5514 92 T 4.5744 8.2042 116.9684 61.0960 70.8217 172.5224 93 P 4.5610 0.0000 0.0000 62.1183 32.8154 176.0120 94 H 4.5770 8.9581 117.6702 56.9697 29.7866 174.4130 95 A 4.9501 8.7876 125.8940 51.3797 19.9025 176.4654 96 I 4.2724 8.8035 124.6084 61.4535 37.1952 175.8950 97 A 4.4807 8.4172 128.0873 53.0135 20.4918 176.1562 98 A 4.5622 7.3794 114.7802 51.3615 23.1873 175.0280 99 I 4.7971 7.9974 118.3309 59.8572 41.1199 173.9403 100 S 4.9456 8.9997 123.0730 56.9095 66.5500 172.9311 101 M 5.1523 8.5067 119.6424 53.9996 35.2219 174.3994 102 A 4.6507 9.1176 128.1924 51.4030 22.3843 176.1207 *103 N 4.6711 8.7718 115.1644 52.5034 37.5162 175.5414 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 T 8.16 4.33 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 2 P 0.00 4.26 0.00 2.29 2.21 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.17 0.00 3 Q 8.19 4.44 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 4 N 7.29 4.67 0.00 2.92 2.86 0.00 0.00 5.86 7.34 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 5 I 8.10 3.70 1.83 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 1.57 1.25 0.87 0.00 0.00 6 T 7.84 3.82 4.37 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 1.19 0.00 0.00 7 D 8.13 4.41 0.00 2.64 2.72 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 8 L 7.81 4.13 0.00 1.86 1.83 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.17 4.21 0.00 3.20 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 10 A 7.54 3.96 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 11 E 7.86 3.91 0.00 1.74 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 2.23 2.47 0.00 12 Y 7.08 4.75 0.00 3.09 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 13 H 8.82 4.46 0.00 3.26 3.32 0.00 6.05 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.94 4.33 0.00 3.22 3.13 0.00 0.00 6.46 7.05 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 15 T 7.97 5.78 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 16 Q 8.29 4.64 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 17 I 8.17 4.75 1.82 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 1.29 0.83 0.86 0.00 0.00 18 H 8.79 4.80 0.00 3.14 3.06 0.00 5.78 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.57 4.48 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 1.18 0.00 0.00 20 L 8.49 3.86 0.00 1.47 1.39 0.45 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.78 4.18 0.00 2.84 2.81 0.00 0.00 6.49 8.08 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 22 D 7.73 4.52 0.00 2.90 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.61 4.75 0.00 1.92 1.95 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.50 1.51 7.81 24 I 8.01 3.28 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.48 0.87 0.00 0.00 25 F 8.60 4.63 0.00 3.05 3.19 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 26 S 7.90 4.50 0.00 3.81 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 27 Y 7.69 4.97 0.00 2.47 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 0.00 0.00 0.00 0.00 28 T 7.83 4.50 4.15 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 1.08 0.00 0.00 29 E 8.53 5.00 0.00 1.95 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 2.22 2.27 0.00 30 S 8.66 4.77 0.00 3.86 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 31 L 8.59 4.65 0.00 1.74 1.72 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.77 4.11 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.44 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 34 K 9.08 3.98 0.00 2.19 1.98 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.32 1.02 7.81 35 R 7.62 4.65 0.00 1.76 1.84 0.00 3.30 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 36 E 8.09 4.77 0.00 1.97 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 2.37 2.31 0.00 37 M 7.96 4.89 0.00 2.03 2.28 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.66 0.00 38 A 8.48 5.08 1.14 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 39 I 8.54 5.24 1.76 0.00 0.00 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 1.27 0.71 0.88 0.00 0.00 40 I 9.16 5.70 1.87 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.24 1.04 0.00 0.00 41 T 8.16 5.31 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 1.21 0.00 0.00 42 F 8.77 5.22 0.00 3.12 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 43 K 9.10 3.15 0.00 1.72 2.02 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.48 7.81 44 N 8.81 4.50 0.00 2.71 2.86 0.00 0.00 6.94 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 45 G 7.62 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.03 3.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.66 4.90 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 1.18 0.00 0.00 48 F 8.88 5.35 0.00 3.09 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 49 Q 9.30 5.24 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.49 2.37 0.00 50 V 8.22 4.75 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 1.01 0.00 0.00 1.01 0.00 0.00 51 E 8.87 4.45 0.00 1.98 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 2.54 2.24 0.00 52 V 8.22 3.97 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 1.00 0.00 0.00 0.99 0.00 0.00 53 P 0.00 4.49 0.00 2.10 2.00 0.00 3.78 0.00 0.00 3.79 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 54 G 8.06 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 55 S 8.62 4.26 0.00 3.96 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 56 Q 7.84 4.05 0.00 1.94 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.72 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 57 H 7.53 5.07 0.00 3.27 3.20 0.00 5.67 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.18 4.03 1.90 0.00 0.00 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 1.42 0.64 0.94 0.00 0.00 59 D 8.86 4.37 0.00 2.82 2.74 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 60 S 7.98 4.32 0.00 4.09 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 8.22 4.29 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 62 K 7.90 4.01 0.00 1.80 1.81 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.32 7.81 63 K 8.09 4.16 0.00 1.98 2.11 0.00 1.48 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.66 1.52 7.81 64 A 7.85 4.10 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.81 3.69 1.99 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 1.49 1.06 0.92 0.00 0.00 66 E 7.84 3.99 0.00 2.15 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 2.49 0.00 67 R 7.79 3.89 0.00 1.84 2.08 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 68 M 8.00 4.05 0.00 2.35 2.16 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.67 0.00 69 K 8.11 4.17 0.00 2.09 1.96 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.71 7.81 70 D 7.90 4.35 0.00 2.88 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.23 3.88 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 72 L 7.92 4.17 0.00 1.89 1.87 1.04 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.73 3.19 0.00 1.37 1.87 0.00 2.98 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.06 0.00 74 I 7.83 3.62 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.46 0.88 0.00 0.00 75 A 7.98 4.09 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.89 4.00 0.00 3.13 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 77 L 7.67 3.68 0.00 1.58 1.60 0.87 0.99 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 78 T 7.81 4.19 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 79 E 7.53 3.53 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 2.07 2.06 0.00 80 A 7.46 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.78 4.25 0.00 1.68 1.80 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.49 7.81 82 V 8.49 4.22 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 1.02 0.00 0.00 0.99 0.00 0.00 83 E 9.01 4.16 0.00 2.09 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 0.00 2.28 2.12 0.00 84 K 7.96 5.11 0.00 1.69 1.54 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.37 7.81 85 L 8.36 5.06 0.00 1.20 1.21 0.01 0.86 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 86 C 8.43 4.92 0.00 2.84 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 8.24 4.91 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 0.66 0.00 0.00 1.14 0.00 0.00 88 W 9.38 5.31 0.00 3.39 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 89 N 9.05 4.49 0.00 2.66 2.82 0.00 0.00 6.27 8.04 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 90 N 8.24 4.82 0.00 2.88 3.01 0.00 0.00 5.91 7.13 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 91 K 7.83 4.71 0.00 1.90 1.76 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.37 7.81 92 T 8.20 4.57 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 93 P 0.00 4.56 0.00 2.06 1.93 0.00 3.73 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 2.03 2.09 0.00 94 H 8.96 4.58 0.00 3.34 3.55 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.79 4.95 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 0.00 0.00 0.00 0.00 0.00 96 I 8.80 4.27 1.95 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 1.11 0.85 0.94 0.00 0.00 97 A 8.42 4.48 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.38 4.56 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.00 4.80 1.84 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.88 0.91 0.00 0.00 100 S 9.00 4.95 0.00 3.88 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 0.00 101 M 8.51 5.15 0.00 1.86 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 102 A 9.12 4.65 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 *103 N 8.77 4.67 0.00 2.81 3.04 0.00 0.00 6.55 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.