NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4917 8.1633 118.3343 55.3078 33.7067 173.1930 2 L 4.9924 8.4140 118.5831 52.9595 43.1450 175.0886 3 R 4.6949 8.8889 123.6914 54.7056 33.5107 174.8904 4 T 4.9215 8.3699 116.5201 61.4201 68.6789 173.6842 5 M 5.0499 8.9598 126.7218 53.2563 37.3560 173.8260 6 L 3.5350 8.6331 122.9964 56.0345 42.2062 176.1977 7 K 4.3427 8.9852 129.3729 58.3319 33.8326 176.2787 8 S 4.9171 7.3563 112.0277 57.2903 66.9006 173.2360 9 K 5.1494 8.1767 117.9921 56.7836 36.4706 174.0275 10 I 4.5435 8.2409 129.2049 60.3338 38.0140 174.3362 11 H 4.7042 9.2586 129.5680 55.6118 30.7964 175.5081 12 R 4.3072 8.6687 125.3425 57.2110 27.2908 176.4577 13 A 4.4106 7.4365 118.3007 52.3516 19.8954 177.4906 14 T 4.8920 8.5061 117.3097 61.6900 70.4611 174.9098 15 V 3.4930 8.8735 126.7775 63.7702 31.6532 176.1504 16 T 3.9891 8.5937 125.0667 66.1757 67.7505 175.5414 17 C 5.1094 7.2705 114.4993 57.6581 33.9349 171.3244 18 A 4.6464 8.0785 114.9037 51.7012 21.6819 175.8366 19 D 4.5352 8.4470 122.5306 52.5642 44.1945 175.5260 20 L 4.0500 8.9854 128.6571 58.4918 43.0372 176.9751 21 H 4.7114 8.4753 113.6430 55.5909 29.9698 170.0872 22 Y 3.2788 8.4135 130.1613 57.0430 39.7933 169.2120 23 V 4.3613 7.4420 125.9022 61.8159 33.4023 175.3046 24 G 4.1854 8.8048 111.0798 45.1190 0.0000 176.4758 25 S 3.1438 8.0810 117.2989 58.5941 63.8914 173.8135 26 V 5.3557 5.4500 118.3217 60.1855 34.4569 173.2730 27 T 4.8116 8.4841 118.6756 60.6508 69.8324 173.5160 28 I 4.8339 8.8969 128.2557 58.8284 40.3058 174.7695 29 D 4.5905 8.8372 124.7476 54.5107 41.6955 176.6619 30 A 3.9750 8.7777 128.2384 55.8685 18.4228 178.9074 31 D 4.3700 8.2367 116.7554 57.9061 40.9401 179.5983 32 L 4.0438 8.2660 119.2580 58.1016 41.3767 179.5243 33 M 4.1986 7.8838 118.1757 58.2378 31.9358 178.4883 34 D 4.4895 8.2057 118.9790 57.1048 40.9021 178.4466 35 A 3.8630 8.2839 121.1808 55.1878 18.3547 178.1951 36 A 4.2288 8.3450 115.4579 51.3008 18.9840 176.7177 37 D 4.3122 7.7931 114.1213 54.7935 39.2779 171.7814 38 L 4.9917 9.5705 121.3560 52.3190 45.7772 176.0860 39 L 4.6043 8.9789 123.1199 52.4532 43.3552 176.1119 40 E 3.7314 8.7322 123.3896 58.2960 29.5519 175.2022 41 G 3.8058 10.5286 117.4880 45.6368 0.0000 170.9079 42 E 4.7188 8.1023 121.7277 54.7459 33.3162 174.1727 43 Q 4.6153 9.1181 128.6906 56.7381 29.7816 175.4457 44 V 4.7586 10.5090 125.7808 61.4707 35.2411 174.1064 45 T 5.1643 9.1768 123.2557 62.0100 71.5050 173.4736 46 I 5.1868 8.4876 124.9894 59.6571 41.1465 174.9731 47 V 4.7962 8.6789 118.7250 59.6763 35.5276 174.1903 48 D 4.9180 8.6701 125.9121 53.1708 41.2374 176.7620 49 I 3.7152 8.8920 129.0389 64.6793 37.0862 177.9814 50 D 4.5505 8.3896 120.9272 56.7788 40.8893 176.6385 51 N 4.9657 8.6139 115.1944 52.3631 37.9246 174.1424 52 G 4.0529 8.4537 104.3568 46.9552 0.0000 174.1265 53 A 4.3583 7.6380 120.2159 51.7841 20.0107 178.0746 54 R 5.4783 8.1471 117.4548 54.7884 33.9069 174.7093 55 L 4.9444 8.6421 122.7372 52.8039 46.6330 175.7179 56 V 4.7356 8.1613 119.1674 61.8996 33.8841 174.1068 57 T 4.7890 9.1677 122.1959 61.2043 71.9485 171.9285 58 Y 5.5024 8.9654 121.7474 55.8062 40.3043 173.8522 59 A 5.0827 8.6775 120.3748 50.2006 22.4648 175.3949 60 I 4.8400 8.9013 121.4320 59.3911 40.7590 175.2805 61 T 4.2025 8.5918 124.2651 64.0560 69.0350 174.4366 62 G 4.1386 9.9551 114.7643 44.1293 0.0000 172.0328 63 E 4.4850 8.5061 119.9498 55.8707 31.0369 176.8373 64 R 4.4204 8.6650 123.9794 57.1331 30.8526 178.9877 65 G 4.2940 8.9774 108.1685 46.9665 0.0000 175.2845 66 S 4.1437 8.5287 113.5540 59.0873 63.0066 174.3599 67 G 4.0311 8.5488 109.6646 46.3665 0.0000 173.7561 68 V 3.7644 7.5880 118.0771 62.9380 33.2115 175.4744 69 I 5.0634 8.2673 125.2869 60.4863 40.0226 173.2893 70 G 4.3142 8.9426 113.1252 45.1491 0.0000 170.1734 71 I 4.8453 8.2101 122.6462 59.4905 39.2629 173.9985 72 N 4.8452 9.9299 126.5032 52.5575 39.4630 172.7494 73 G 4.1117 9.9886 118.3120 45.6513 0.0000 171.2165 74 A 3.8170 8.4566 127.8604 53.2152 17.2746 179.2759 75 A 4.0810 7.6021 115.8385 53.6283 18.7815 179.2849 76 A 3.9940 8.0186 118.1779 54.7001 18.7533 177.2813 77 H 4.6593 8.1895 112.8276 55.9087 30.5910 173.5594 78 L 3.7104 8.2851 119.5701 55.8480 40.4040 174.3734 79 V 4.3791 7.3764 116.8012 61.3791 32.8845 174.8587 80 H 5.0813 8.6091 122.7168 52.8986 32.4288 171.3515 81 P 4.3708 0.0000 0.0000 63.9417 31.5541 177.4194 82 G 3.9325 8.5290 108.2579 45.9733 0.0000 173.1701 83 D 4.9934 7.5658 119.7476 52.9032 43.1291 175.6363 84 L 4.8567 9.9041 124.5613 54.2055 43.0233 176.3559 85 V 4.9656 8.5515 116.9207 59.5925 36.2597 174.4244 86 I 4.9201 8.7632 120.9538 59.8451 41.2868 174.8180 87 L 5.2707 8.4842 125.4360 53.2120 44.1739 175.6538 88 I 5.1287 9.0527 123.3570 59.4828 41.8913 174.2192 89 A 4.8324 8.6716 126.6497 50.7742 21.7449 174.8268 90 Y 4.8896 9.2186 123.5992 58.4050 39.6110 174.3140 91 A 5.3159 8.3690 133.0390 53.0122 21.7189 176.8786 92 T 4.6262 8.4568 114.0216 62.3789 69.9719 173.7352 93 M 4.8967 9.3827 122.5591 53.6514 37.5115 173.9259 94 D 4.7929 8.6182 120.1459 53.9999 41.9728 176.7099 95 D 4.3269 8.8420 126.4406 57.3065 41.4186 178.4912 96 A 4.1294 7.6994 120.4589 55.2010 18.1972 179.4492 97 R 3.7636 7.9903 115.0553 59.1951 29.9646 178.6904 98 A 3.9408 7.7791 119.4818 55.9144 18.3849 179.3177 99 R 4.1591 7.6008 114.4765 58.0775 30.2936 177.2305 100 T 4.4256 7.1248 114.7916 60.7687 69.1518 173.6713 101 Y 4.8527 8.1636 124.5409 56.8460 41.6359 173.4074 102 Q 4.3176 8.7962 126.5308 53.4592 29.2791 173.5239 103 P 3.8890 0.0000 0.0000 62.1869 32.0774 178.1573 104 R 4.1098 8.4476 124.1934 56.5519 28.5650 174.2253 105 I 4.3444 7.6146 122.8467 59.7896 38.9687 175.1021 106 V 3.9954 8.4974 127.0540 60.8709 33.4060 174.8383 107 F 5.1824 7.9980 126.9651 57.5353 39.7741 175.2162 108 V 4.6502 7.8940 119.8116 59.9144 34.8289 174.7193 109 D 4.4949 8.6976 120.0457 53.4901 41.8138 176.9154 110 A 3.8025 8.2897 125.5703 54.2831 18.3516 177.8434 111 Y 4.8925 8.2663 112.2843 57.0271 38.7392 173.9252 112 N 4.2564 9.2446 122.8392 53.4586 35.4773 173.0745 113 K 4.4768 8.2306 120.9038 57.5139 38.3580 175.4156 *114 P 4.2215 0.0000 0.0000 62.2715 31.3818 178.2878 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 M 8.16 4.49 0.00 2.11 2.31 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 2 L 8.41 4.99 0.00 1.61 1.64 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 3 R 8.89 4.69 0.00 1.80 1.85 0.00 3.13 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 4 T 8.37 4.92 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 1.20 0.00 0.00 5 M 8.96 5.05 0.00 2.05 2.00 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 2.60 2.57 0.00 6 L 8.63 3.53 0.00 1.35 1.49 0.65 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.99 4.34 0.00 1.99 2.09 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.51 7.81 8 S 7.36 4.92 0.00 3.88 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 9 K 8.18 5.15 0.00 1.65 1.54 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.29 7.81 10 I 8.24 4.54 1.87 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 1.21 0.79 0.92 0.00 0.00 11 H 9.26 4.70 0.00 3.34 3.52 0.00 5.89 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.67 4.31 0.00 1.91 1.95 0.00 3.14 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.96 0.00 13 A 7.44 4.41 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 14 T 8.51 4.89 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 1.24 0.00 0.00 15 V 8.87 3.49 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.03 0.00 0.00 16 T 8.59 3.99 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 1.21 0.00 0.00 17 C 7.27 5.11 0.00 2.95 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 18 A 8.08 4.65 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 19 D 8.45 4.54 0.00 2.74 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.99 4.05 0.00 1.86 1.74 1.07 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 21 H 8.48 4.71 0.00 3.20 3.32 0.00 6.08 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.41 3.28 0.00 3.14 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.44 4.36 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 0.99 0.00 0.00 0.90 0.00 0.00 24 G 8.80 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 0.00 0.00 0.00 0.00 25 S 8.08 3.14 0.00 3.57 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 26 V 5.45 5.36 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 0.99 0.00 0.00 0.85 0.00 0.00 27 T 8.48 4.81 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 1.30 0.00 0.00 28 I 8.90 4.83 1.87 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 1.10 0.90 0.91 0.00 0.00 29 D 8.84 4.59 0.00 2.95 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.78 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.24 4.37 0.00 2.86 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 32 L 8.27 4.04 0.00 1.89 1.71 0.93 1.19 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 33 M 7.88 4.20 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.63 0.00 34 D 8.21 4.49 0.00 2.70 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 35 A 8.28 3.86 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 36 A 8.35 4.23 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 37 D 7.79 4.31 0.00 2.75 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 9.57 4.99 0.00 1.55 1.50 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.98 4.60 0.00 1.61 1.60 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.73 3.73 0.00 1.96 1.93 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 2.36 2.40 0.00 41 G 10.53 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.10 4.72 0.00 2.25 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 2.25 2.26 0.00 43 Q 9.12 4.62 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.49 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 44 V 10.51 4.76 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 0.88 0.00 0.00 1.01 0.00 0.00 45 T 9.18 5.16 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 46 I 8.49 5.19 1.87 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 1.23 1.18 0.91 0.00 0.00 47 V 8.68 4.80 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 0.77 0.00 0.00 1.03 0.00 0.00 48 D 8.67 4.92 0.00 2.78 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 49 I 8.89 3.72 2.01 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 1.23 0.53 0.91 0.00 0.00 50 D 8.39 4.55 0.00 2.78 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 51 N 8.61 4.97 0.00 2.75 2.83 0.00 0.00 7.14 7.06 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 52 G 8.45 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 53 A 7.64 4.36 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 54 R 8.15 5.48 0.00 1.66 1.82 0.00 3.21 0.00 0.00 3.90 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 55 L 8.64 4.94 0.00 1.54 1.51 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.16 4.74 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 0.80 0.00 0.00 0.94 0.00 0.00 57 T 9.17 4.79 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 1.19 0.00 0.00 58 Y 8.97 5.50 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 59 A 8.68 5.08 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 60 I 8.90 4.84 2.04 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.03 0.97 0.00 0.00 61 T 8.59 4.20 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 62 G 9.96 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 63 E 8.51 4.48 0.00 2.07 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 2.38 2.35 0.00 64 R 8.67 4.42 0.00 1.92 1.95 0.00 3.33 0.00 0.00 3.45 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.63 0.00 65 G 8.98 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 0.00 0.00 0.00 0.00 66 S 8.53 4.14 0.00 3.93 4.01 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 67 G 8.55 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 68 V 7.59 3.76 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 1.04 0.00 0.00 0.93 0.00 0.00 69 I 8.27 5.06 2.01 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 1.17 0.73 0.91 0.00 0.00 70 G 8.94 4.31 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 0.00 71 I 8.21 4.85 1.86 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 1.32 0.78 0.94 0.00 0.00 72 N 9.93 4.85 0.00 2.48 3.02 0.00 0.00 7.01 7.53 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 73 G 9.99 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.46 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.60 4.08 1.28 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 0.00 0.00 76 A 8.02 3.99 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 77 H 8.19 4.66 0.00 3.16 3.32 0.00 5.83 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.29 3.71 0.00 1.75 1.70 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.38 4.38 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 0.81 0.00 0.00 0.90 0.00 0.00 80 H 8.61 5.08 0.00 3.51 3.14 0.00 5.67 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.37 0.00 2.05 2.00 0.00 3.81 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 2.04 2.10 0.00 82 G 8.53 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 83 D 7.57 4.99 0.00 2.82 2.69 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 84 L 9.90 4.86 0.00 1.52 1.59 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.55 4.97 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 0.82 0.00 0.00 0.99 0.00 0.00 86 I 8.76 4.92 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 1.26 0.77 1.00 0.00 0.00 87 L 8.48 5.27 0.00 1.60 1.55 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 88 I 9.05 5.13 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.89 0.52 0.00 0.00 89 A 8.67 4.83 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 90 Y 9.22 4.89 0.00 2.97 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 91 A 8.37 5.32 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 92 T 8.46 4.63 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 1.23 0.00 0.00 93 M 9.38 4.90 0.00 1.84 1.94 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.46 0.00 94 D 8.62 4.79 0.00 2.73 2.50 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 0.00 95 D 8.84 4.33 0.00 2.76 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 96 A 7.70 4.13 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 97 R 7.99 3.76 0.00 1.69 1.80 0.00 3.24 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.57 0.00 98 A 7.78 3.94 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 99 R 7.60 4.16 0.00 1.87 2.00 0.00 3.16 0.00 0.00 3.29 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.97 0.00 100 T 7.12 4.43 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 1.23 0.00 0.00 101 Y 8.16 4.85 0.00 3.00 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 0.00 102 Q 8.80 4.32 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 103 P 0.00 3.89 0.00 1.73 1.88 0.00 3.50 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 1.85 1.82 0.00 104 R 8.45 4.11 0.00 1.66 1.80 0.00 3.38 0.00 0.00 3.10 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 105 I 7.61 4.34 1.57 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 1.09 0.56 0.64 0.00 0.00 106 V 8.50 4.00 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 1.03 0.00 0.00 0.83 0.00 0.00 107 F 8.00 5.18 0.00 3.02 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 0.00 108 V 7.89 4.65 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 0.78 0.00 0.00 0.95 0.00 0.00 109 D 8.70 4.49 0.00 2.71 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 0.00 110 A 8.29 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 Y 8.27 4.89 0.00 2.96 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 0.00 112 N 9.24 4.26 0.00 2.85 2.93 0.00 0.00 6.67 7.49 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 0.00 113 K 8.23 4.48 0.00 1.72 1.80 0.00 1.86 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.52 7.81 *114 P 0.00 4.22 0.00 1.83 1.86 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.