NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 H 4.7936 8.4293 116.3099 55.1289 30.1934 172.3028 -4 H 4.6760 7.4413 113.6519 53.8695 31.8412 171.3036 -3 H 4.4292 8.7078 118.7632 56.4394 30.2017 178.0507 *-2 H 4.1114 9.0872 121.6998 57.7047 28.1380 175.7140 *-1 H 5.1876 8.2836 117.5420 52.5778 29.7665 174.1649 0 H 4.4865 7.9332 123.8575 53.9931 31.7960 172.9184 -3 F 4.3192 8.5878 120.8632 59.1394 40.8017 179.7507 *-2 Y 3.9314 8.7872 123.7998 60.6047 36.9380 177.5139 *-1 E 4.8076 8.2836 119.5420 54.1778 30.6665 176.6649 0 I 3.9265 7.5132 125.5575 60.0931 41.5960 175.2184 6 R 5.0381 8.9846 127.1643 54.6198 32.6823 175.3197 7 T 4.9057 8.9728 120.7131 61.8894 71.8017 172.5879 8 Y 5.5088 8.9737 124.1771 56.2235 41.6461 174.5642 9 R 4.8430 9.1394 124.6584 55.0377 31.6169 175.6044 10 L 4.9015 8.9641 127.0430 53.0377 43.7213 176.3644 11 K 4.1342 8.6928 121.4792 56.1578 33.1224 175.5003 12 N 4.6453 8.8031 125.4582 55.4610 39.1606 174.9646 13 G 3.9256 9.2154 113.7034 45.9212 0.0000 174.2572 14 A 4.3257 8.0299 120.8274 52.6985 18.6198 179.2475 15 I 3.6761 7.6766 119.1290 63.9240 37.2939 176.1511 16 P 4.1479 0.0000 0.0000 65.6480 31.2330 178.5128 17 A 4.0088 7.9672 118.9071 55.1696 18.3414 178.8201 18 Y 3.9413 8.3688 118.2766 61.0375 38.9263 178.4323 19 L 4.0111 8.4935 120.2504 57.4283 41.5466 179.5295 20 K 3.8949 8.1539 119.9477 59.5648 32.2312 179.3785 21 V 3.6617 7.7153 119.4079 64.5268 31.3306 178.5430 22 V 3.4774 7.8166 119.0206 65.6758 31.1517 177.5120 23 E 3.7925 7.8812 117.6840 59.6265 29.5874 178.3804 24 D 4.5105 8.1612 117.4735 56.3817 40.9069 176.8010 25 E 4.4119 8.0995 116.8972 56.7820 32.3514 177.2487 26 G 2.7581 7.5365 104.5289 46.8999 0.0000 175.6050 27 I 3.8090 7.9525 121.4260 63.7989 37.9409 177.9228 28 E 4.0263 8.0594 119.2138 59.1679 28.9285 179.0519 29 I 3.6699 7.6923 119.4533 64.3757 37.1911 177.9943 30 Q 3.4216 8.1778 120.2993 59.0921 28.9277 178.4101 31 K 4.2391 8.5844 120.1373 59.6569 31.8680 179.4465 32 S 4.1259 7.9297 113.5836 61.2331 62.8310 175.6727 33 H 4.4940 7.4462 117.3077 57.8846 29.2106 177.1294 34 L 4.2544 7.9341 119.5220 55.5877 41.5524 176.7419 35 G 4.3217 9.0266 108.4977 45.0317 0.0000 173.4212 36 E 4.5105 7.6784 122.2380 53.4367 31.0206 172.8478 37 L 3.1661 8.2486 126.5525 54.7087 42.3605 175.7265 38 V 3.9899 8.1987 127.0580 64.4322 32.4705 175.8911 39 G 3.9120 7.2777 104.7808 45.4941 0.0000 171.5352 40 Y 4.6454 6.8776 122.0716 56.1822 41.2676 173.9134 41 F 5.3964 9.5335 125.5912 55.7170 43.6380 173.9295 42 F 5.6673 8.3833 114.5191 54.7908 41.1634 174.6462 43 S 4.2236 8.7212 115.9977 59.7977 62.8488 173.4573 44 E 4.4933 8.8624 121.9445 57.2156 31.6898 175.6402 45 I 4.5892 8.1483 116.9933 59.1324 41.1566 173.6791 46 G 3.8516 8.9881 112.7008 43.3423 0.0000 171.5939 47 P 4.2760 0.0000 0.0000 63.0934 31.8978 175.8861 48 I 4.2912 8.1394 122.8466 61.2598 38.8312 174.8799 49 N 4.2966 8.6883 117.4409 54.3910 36.0598 172.9603 50 E 5.1800 8.4359 119.2038 54.6994 32.1448 174.4544 51 I 5.0998 8.7226 126.9019 59.5326 40.5097 174.6519 52 V 4.9043 8.8771 126.1261 61.2979 34.4616 173.9068 53 H 5.1364 9.0232 122.6629 53.7498 32.1891 172.3155 54 I 5.9016 8.3406 120.3207 59.6315 40.8349 174.4740 55 W 5.2183 8.9814 124.8488 54.7537 32.6460 174.3112 56 A 5.1046 8.5045 125.3658 50.2603 20.4722 176.2296 57 F 5.0219 8.3130 119.1405 55.5819 42.3487 175.6412 58 S 4.3381 9.1738 117.3461 61.1862 63.4813 174.5726 59 S 4.6552 7.5626 113.7825 56.3476 66.4231 175.3961 60 L 3.6919 7.7125 122.0366 57.5146 41.3510 179.4170 61 D 4.2150 7.8295 118.7648 57.2088 40.7184 178.0446 62 D 4.2439 7.9625 118.4789 57.1219 41.1687 177.9386 63 R 3.0738 7.8315 119.1176 59.2717 29.8658 178.1253 64 A 3.7981 7.8492 120.3109 55.1938 18.3382 179.4187 65 E 3.8541 8.0378 116.9033 59.6523 29.5673 179.8798 66 R 3.8864 8.0593 118.1256 59.4067 29.9169 179.4493 67 R 3.7531 7.8752 116.6843 58.8632 30.0370 178.6414 68 A 4.0825 7.7698 120.0145 55.2583 18.4583 179.6128 69 R 4.0113 7.6855 115.5284 58.9451 30.3266 179.5979 70 L 3.3323 7.5678 117.1446 55.3693 41.7316 178.1044 *72 A 4.2512 7.9181 119.2390 50.9193 20.5588 177.5390 73 D 4.5603 7.9353 116.7177 53.0896 41.9832 174.8249 74 P 4.3314 0.0000 0.0000 65.9208 31.2888 178.7949 75 R 4.0167 8.5538 117.0201 58.8646 29.9375 178.8847 76 W 4.4190 8.1930 127.8245 60.5746 30.6841 177.9332 77 L 3.9645 8.0653 117.9209 57.8940 41.0862 179.2121 78 S 4.2087 8.1544 112.4377 60.9321 62.4906 175.6839 79 F 4.3143 7.8890 123.3372 60.9733 39.1618 176.9560 80 L 3.2807 7.5071 118.6225 57.4176 41.1858 177.8042 81 P 4.1536 0.0000 0.0000 65.1072 31.2657 178.1429 82 K 4.0258 7.6427 116.5516 57.5526 32.3198 177.3792 83 I 4.4159 7.0278 110.7841 60.1809 39.1511 177.4930 84 R 3.7889 7.9277 120.9471 58.9287 29.8840 176.4193 85 D 4.7604 7.7707 114.3122 54.1643 41.9200 177.1063 86 L 4.1866 7.8718 120.2336 56.7451 42.0850 176.9098 87 I 4.3182 7.5591 119.5048 60.7246 38.0285 174.9794 88 E 4.3325 9.2380 125.8482 58.2774 30.6907 176.5372 89 V 4.6449 7.6147 117.7155 61.1717 35.3471 173.5800 90 A 5.5565 8.5201 126.5147 50.8986 22.3730 174.9316 91 E 4.9686 9.2315 116.9802 55.3080 33.3685 173.6945 92 N 6.3000 8.6822 117.4019 51.4840 40.7794 173.2859 93 K 4.7796 8.5548 117.4462 55.7693 35.9224 175.0704 94 I 4.9757 8.2561 121.4489 59.7034 40.0783 175.1162 *96 K 4.1013 8.3510 121.9056 55.5294 32.9794 174.2626 97 P 4.1892 0.0000 0.0000 61.9042 32.3588 176.2976 98 A 3.9137 8.0123 124.3109 51.8572 18.8116 178.5818 99 R 3.7217 8.1365 118.6682 58.5393 30.2052 178.0015 100 F 4.7844 6.8495 110.4014 56.2259 38.2343 175.3967 101 S 4.2180 7.4260 116.8969 57.6507 62.5275 172.7225 102 P 4.3679 0.0000 0.0000 64.8312 31.5216 176.3506 103 L 4.2839 7.3590 122.2778 54.7653 41.6016 176.2140 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 -5 H 8.43 4.79 0.00 3.27 3.47 0.00 5.45 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 H 7.44 4.68 0.00 3.20 3.12 0.00 5.53 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 -3 H 8.71 4.43 0.00 3.26 3.25 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *-2 H 9.09 4.11 0.00 2.83 3.09 0.00 7.24 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *-1 H 8.28 5.19 0.00 2.82 2.98 0.00 7.26 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 7.93 4.49 0.00 3.30 3.37 0.00 5.65 0.00 0.00 0.00 0.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 F 8.59 4.32 0.00 3.11 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 *-2 Y 8.79 3.93 0.00 2.57 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 *-1 E 8.28 4.81 0.00 1.59 1.78 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 2.26 1.81 0.00 0 I 7.51 3.93 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 1.41 0.07 0.91 0.00 0.00 6 R 8.98 5.04 0.00 1.17 1.57 0.00 3.27 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 7 T 8.97 4.91 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 8 Y 8.97 5.51 0.00 2.75 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 R 9.14 4.84 0.00 1.89 1.83 0.00 3.10 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 10 L 8.96 4.90 0.00 1.55 1.65 0.66 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.69 4.13 0.00 1.85 1.74 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.33 7.81 12 N 8.80 4.65 0.00 2.71 2.74 0.00 0.00 7.25 7.98 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 13 G 9.22 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 14 A 8.03 4.33 1.44 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 15 I 7.68 3.68 1.86 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 1.68 0.71 0.69 0.00 0.00 16 P 0.00 4.15 0.00 2.14 2.07 0.00 3.79 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 2.10 2.11 0.00 17 A 7.97 4.01 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 18 Y 8.37 3.94 0.00 3.11 3.24 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 19 L 8.49 4.01 0.00 1.66 1.66 0.52 1.00 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 20 K 8.15 3.89 0.00 1.88 1.95 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.43 7.81 21 V 7.72 3.66 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 0.80 0.00 0.00 0.99 0.00 0.00 22 V 7.82 3.48 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 0.86 0.00 0.00 0.48 0.00 0.00 23 E 7.88 3.79 0.00 1.97 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 2.27 2.29 0.00 24 D 8.16 4.51 0.00 2.73 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.10 4.41 0.00 1.94 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 2.26 2.27 0.00 26 G 7.54 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 0.00 0.00 0.00 27 I 7.95 3.81 1.82 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.41 0.83 0.00 0.00 28 E 8.06 4.03 0.00 2.00 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 2.37 2.32 0.00 29 I 7.69 3.67 2.20 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 1.60 1.17 1.09 0.00 0.00 30 Q 8.18 3.42 0.00 2.19 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.78 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 31 K 8.58 4.24 0.00 2.01 1.95 0.00 1.73 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.64 1.84 7.81 32 S 7.93 4.13 0.00 3.95 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 0.00 33 H 7.45 4.49 0.00 2.97 3.39 0.00 5.65 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 34 L 7.93 4.25 0.00 1.11 1.46 -0.39 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 35 G 9.03 4.32 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 0.00 36 E 7.68 4.51 0.00 1.93 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 2.17 2.23 0.00 37 L 8.25 3.17 0.00 0.82 1.22 -0.07 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.20 3.99 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 0.89 0.00 0.00 1.03 0.00 0.00 39 G 7.28 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 40 Y 6.88 4.65 0.00 2.70 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 41 F 9.53 5.40 0.00 2.90 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 42 F 8.38 5.67 0.00 3.08 3.09 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 43 S 8.72 4.22 0.00 3.95 3.96 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 44 E 8.86 4.49 0.00 1.76 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 2.15 2.34 0.00 45 I 8.15 4.59 1.85 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 1.35 0.78 0.90 0.00 0.00 46 G 8.99 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 0.00 0.00 0.00 47 P 0.00 4.28 0.00 2.14 2.03 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 48 I 8.14 4.29 1.90 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 1.45 0.71 0.95 0.00 0.00 49 N 8.69 4.30 0.00 2.94 3.02 0.00 0.00 6.42 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 50 E 8.44 5.18 0.00 2.05 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 0.00 2.25 2.46 0.00 51 I 8.72 5.10 1.85 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.38 1.03 0.00 0.00 52 V 8.88 4.90 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 1.04 0.00 0.00 0.93 0.00 0.00 53 H 9.02 5.14 0.00 2.58 1.72 0.00 5.28 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.34 5.90 1.88 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 1.30 0.91 1.10 0.00 0.00 55 W 8.98 5.22 0.00 3.09 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 56 A 8.50 5.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.31 5.02 0.00 2.91 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 58 S 9.17 4.34 0.00 4.03 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 59 S 7.56 4.66 0.00 4.00 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 60 L 7.71 3.69 0.00 1.38 1.47 0.67 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.83 4.21 0.00 2.70 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 62 D 7.96 4.24 0.00 2.82 2.83 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 63 R 7.83 3.07 0.00 0.88 1.64 0.00 2.61 0.00 0.00 2.80 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 64 A 7.85 3.80 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 65 E 8.04 3.85 0.00 2.13 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 2.28 2.53 0.00 66 R 8.06 3.89 0.00 1.94 2.08 0.00 3.34 0.00 0.00 3.58 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 67 R 7.88 3.75 0.00 1.60 1.86 0.00 2.97 0.00 0.00 3.02 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 68 A 7.77 4.08 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 69 R 7.69 4.01 0.00 1.91 2.00 0.00 3.19 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 70 L 7.57 3.33 0.00 1.33 1.46 -0.17 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 *72 A 7.92 4.25 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 73 D 7.94 4.56 0.00 2.87 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 74 P 0.00 4.33 0.00 2.24 2.13 0.00 3.70 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 2.15 2.22 0.00 75 R 8.55 4.02 0.00 2.10 2.09 0.00 3.17 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 76 W 8.19 4.42 0.00 3.39 3.36 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 77 L 8.07 3.96 0.00 1.85 1.74 0.96 0.85 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 78 S 8.15 4.21 0.00 3.96 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 79 F 7.89 4.31 0.00 3.07 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.51 3.28 0.00 1.45 1.46 0.84 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.15 0.00 1.87 2.01 0.00 3.55 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.07 0.00 82 K 7.64 4.03 0.00 1.14 1.62 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.28 7.81 83 I 7.03 4.42 2.02 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.63 0.63 0.00 0.00 84 R 7.93 3.79 0.00 1.83 1.90 0.00 3.13 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 85 D 7.77 4.76 0.00 2.65 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 86 L 7.87 4.19 0.00 1.99 1.81 1.02 0.81 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 87 I 7.56 4.32 1.72 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 1.21 0.51 0.62 0.00 0.00 88 E 9.24 4.33 0.00 2.06 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 2.28 2.30 0.00 89 V 7.61 4.64 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 1.07 0.00 0.00 0.94 0.00 0.00 90 A 8.52 5.56 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 91 E 9.23 4.97 0.00 2.08 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 0.00 2.26 2.31 0.00 92 N 8.68 6.30 0.00 2.75 2.86 0.00 0.00 5.84 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 93 K 8.55 4.78 0.00 1.77 1.80 0.00 1.57 0.00 0.00 1.73 0.00 0.00 2.78 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.52 7.81 94 I 8.26 4.98 1.96 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 1.38 0.91 1.15 0.00 0.00 *96 K 8.35 4.10 0.00 1.67 1.51 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.33 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.05 1.47 7.81 97 P 0.00 4.19 0.00 2.07 2.02 0.00 3.62 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.10 0.00 98 A 8.01 3.91 0.30 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 99 R 8.14 3.72 0.00 1.81 1.88 0.00 3.11 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.45 0.00 100 F 6.85 4.78 0.00 3.11 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 0.00 101 S 7.43 4.22 0.00 3.59 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 0.00 102 P 0.00 4.37 0.00 2.07 2.10 0.00 3.68 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 103 L 7.36 4.28 0.00 1.33 1.36 0.85 0.85 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 * Residues marked with a * may have inaccurate shift predictions.