NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.3143 8.2549 119.7070 56.0328 32.1751 175.8863 4 K 3.7987 7.8627 116.3294 55.0413 32.3756 175.0717 5 L 3.9907 8.9295 127.8109 55.0469 42.5663 175.3945 6 A 4.8680 8.2870 128.6383 50.4591 21.9587 175.7242 7 L 4.8722 7.9449 119.0861 53.7379 44.1479 176.1725 8 K 4.5447 8.3873 120.2591 55.9613 35.8982 176.2608 9 T 3.9830 8.4785 120.6570 63.6827 69.0027 173.9956 10 I 4.0352 7.8327 124.2261 58.7098 39.4739 176.0320 11 D 4.4692 8.3328 126.2264 54.2806 40.5577 176.9566 12 W 4.2385 8.6496 126.2156 59.3516 28.8144 178.5470 13 V 3.6908 8.0982 117.8129 65.9457 30.7333 177.7879 14 A 4.0163 7.8751 119.0783 55.5987 18.7221 178.3892 15 F 4.0649 8.7664 119.2019 62.0887 39.0540 177.3707 16 G 3.8318 8.9634 107.0949 47.8160 0.0000 174.2110 17 E 4.2935 7.7596 118.6124 57.3211 29.7518 176.8819 18 I 4.5417 7.1893 108.6633 60.7024 39.1201 174.7594 19 I 3.9816 7.4271 114.9297 59.3373 38.5962 174.0078 20 P 4.3361 0.0000 0.0000 62.4438 32.2028 177.2726 21 R 3.8742 8.7742 120.5243 59.8359 30.0400 178.1902 22 N 4.7334 8.0447 111.1540 54.2726 38.8172 175.1709 23 Q 4.5261 8.2590 116.5695 54.3638 31.1745 176.9567 24 K 3.7372 7.9712 119.4183 59.9013 31.9326 177.5124 25 A 3.9470 8.1410 119.8657 55.4937 18.0551 179.1695 26 V 3.5140 7.8804 114.7869 66.2033 31.5217 177.9656 27 A 4.1991 7.9167 119.8308 55.4427 18.3629 178.9042 28 N 4.3062 8.5617 115.3486 57.0378 38.7854 177.4166 29 S 4.1615 8.3950 114.1672 61.2746 62.3900 176.0700 30 L 4.1043 8.4059 123.3383 58.2344 41.9651 178.5390 31 K 3.8165 8.8895 118.9541 60.1729 31.5205 179.3165 32 S 4.3729 8.1778 115.0201 60.3072 62.8126 175.8990 33 W 4.6659 8.1361 131.7178 60.6091 29.5694 177.0583 34 N 4.5147 8.2069 116.5634 56.9766 37.9579 176.1873 35 E 3.8390 8.0236 119.4218 59.9812 29.5726 179.0858 36 T 3.8132 9.0222 115.5707 67.1056 68.6137 176.0071 37 L 3.5878 8.5430 121.0569 58.4187 41.6742 179.6429 38 T 3.7746 9.0905 115.5318 66.8097 68.4580 176.5170 39 S 4.0713 8.5481 116.1888 61.5476 62.8102 176.5513 40 R 3.7629 8.2564 122.4622 59.2336 29.6527 178.3171 41 L 3.9048 7.6779 118.3523 57.9501 42.0865 178.1738 42 A 4.1127 7.7057 120.0977 56.1679 18.2936 179.1390 43 T 4.2194 7.5318 113.1195 65.1684 68.6850 174.9009 44 L 4.0139 7.9512 129.7069 54.0475 41.4885 175.6520 45 P 4.2629 0.0000 0.0000 63.0834 31.1058 176.1734 46 E 3.7161 8.0756 119.3528 59.0594 29.8204 177.9884 47 K 4.5801 7.5782 116.8132 53.8070 35.2208 173.8056 48 P 4.6794 0.0000 0.0000 60.8707 32.7783 173.7699 49 P 4.3613 0.0000 0.0000 62.2319 31.7336 176.0459 50 A 4.2411 8.2359 123.3793 50.9950 19.1227 177.4206 51 I 3.2224 7.9478 124.3599 61.7162 37.2285 176.7560 52 D 4.5239 8.3383 125.6777 52.9925 39.8989 176.2120 53 W 4.3821 8.3987 125.9516 59.5163 29.4149 177.1273 54 A 4.4101 8.4057 119.8792 55.8534 17.7601 178.5333 55 Y 3.9408 8.4343 116.6288 61.1508 38.8553 178.4731 56 Y 3.8499 7.8170 116.7477 60.7724 37.7702 178.3838 57 K 3.8914 9.0415 120.1405 59.7036 32.4104 178.0612 58 A 4.1180 8.2738 119.6693 54.4874 18.3357 177.7316 59 N 4.7087 7.4018 109.8731 52.5669 40.2427 174.6972 60 V 3.7682 8.2837 119.9021 62.2504 31.9649 175.8052 61 A 4.1146 8.5549 130.6631 54.5246 18.7985 177.7875 62 K 4.0393 7.8155 116.3692 55.7351 33.0814 176.4235 63 A 3.9850 8.5615 128.8388 53.3242 19.0791 179.1326 64 G 3.9455 8.8537 107.2513 46.5681 0.0000 174.7699 65 L 3.6632 7.5041 121.3188 58.1343 41.7523 178.6362 66 V 3.6269 7.5828 116.7262 66.5258 31.6999 178.0375 67 D 4.2792 8.0691 117.6466 57.7283 40.6089 177.5534 68 D 4.3294 8.5544 118.6076 57.5018 41.0902 178.0591 69 F 4.3031 9.0762 118.1112 60.9419 39.0777 177.4156 70 E 2.0000 8.2296 118.6878 58.6378 29.2743 178.7301 71 K 3.7815 7.5824 117.6675 59.6598 32.0022 179.3554 72 K 3.9585 8.0703 117.2635 59.4134 32.2039 178.8331 73 F 4.2154 8.6614 121.1780 61.6606 39.1986 176.9052 74 N 4.3329 8.5645 114.9252 56.2754 38.4354 176.8304 75 A 4.2307 8.3370 120.9783 52.5991 18.7703 177.2970 76 L 3.8585 7.3191 120.5326 54.6622 42.3493 176.5431 77 K 4.2190 8.3499 126.4368 54.7510 31.6910 176.1936 78 V 3.7895 8.0006 124.6301 61.4702 32.0410 174.2584 79 P 4.4206 0.0000 0.0000 62.3792 31.9377 175.8261 80 I 4.1315 8.1044 123.1693 59.4069 37.9172 174.2283 81 P 4.3325 0.0000 0.0000 62.7360 31.4621 176.0553 82 E 4.0201 8.6648 122.7039 56.4267 30.3502 177.6592 83 D 4.7551 8.3800 124.0077 53.7699 39.2488 175.4104 84 K 4.1936 6.4601 116.3518 57.3616 33.5146 177.8767 85 Y 4.7796 7.3780 114.8390 59.0566 39.9116 177.0771 86 T 4.2968 7.8773 117.7970 62.9715 66.8237 174.7841 87 A 4.9724 7.6333 125.8018 53.2307 19.3780 178.1612 88 Q 3.8487 8.4338 118.0136 59.9637 28.8995 179.2296 89 V 3.2074 7.3891 118.1896 65.5880 31.9195 177.4559 90 D 4.5599 7.8401 117.4188 56.5237 41.3992 178.3228 91 A 4.0703 8.1552 120.0436 55.7298 18.4891 178.2988 92 E 4.0050 9.3742 119.6104 57.9495 29.6424 178.3035 93 E 4.7182 8.4844 119.7957 59.2999 29.8567 180.2473 94 K 3.9535 8.2084 118.2876 59.4926 32.0256 179.0226 95 E 4.0123 8.2530 119.1994 58.9487 29.3694 178.6941 96 D 4.3497 7.8754 118.6903 57.2231 41.4792 178.1382 97 V 3.5940 7.5045 118.3760 66.3613 31.1358 178.1787 98 K 4.1277 7.7726 116.4813 59.9868 32.1526 178.6850 99 S 4.0366 10.1832 112.5034 60.5206 61.6614 177.2337 100 C 4.3357 9.7804 118.5813 61.3130 26.4259 176.9974 101 A 3.5055 8.0911 128.4024 54.4890 20.6568 180.3267 102 E 3.9113 7.7463 115.0623 58.7752 30.5298 178.9529 103 F 4.4692 9.7608 119.0249 59.9681 40.7939 176.7927 104 L 3.8631 7.3111 116.2652 59.8940 41.7762 178.8313 105 T 3.9196 8.6453 116.0046 65.4480 68.4308 176.2721 106 Q 3.8076 7.9291 120.5937 59.6604 29.1286 179.7329 107 S 3.7226 8.0885 113.9189 61.2363 62.3672 176.0274 108 K 3.8537 7.7521 120.9705 59.8262 31.8146 179.1727 109 T 3.7547 8.1994 113.4693 65.1324 67.2892 176.0896 110 R 3.9045 7.6848 121.3757 58.6938 30.1184 178.8020 111 I 3.9196 7.9886 118.3343 64.0831 37.8716 177.8581 112 Q 3.9921 8.3245 119.5931 58.8184 28.1875 178.4394 113 E 3.8680 8.1525 118.3816 59.8077 29.5315 178.3820 114 Y 4.5357 7.6057 118.3319 60.8959 37.9969 178.8613 115 E 3.9765 8.4331 118.9015 59.5360 29.8013 179.2738 116 K 3.9789 8.6852 119.8184 59.7386 32.0279 178.2912 117 E 4.0249 8.9577 119.9359 59.0404 29.5928 178.7658 118 L 4.1466 8.0379 119.3456 57.2404 41.4539 178.5220 119 E 3.9218 8.3747 119.4238 59.5265 29.7479 178.9601 120 K 4.1525 8.0077 118.1502 60.1635 32.5634 178.5954 121 M 4.1844 7.5328 116.6108 56.8853 31.9477 177.8537 122 R 4.1038 7.6710 117.9321 57.8560 30.3330 175.7002 123 N 4.6038 8.1645 120.7822 53.8184 39.1739 173.9902 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 R 8.25 4.31 0.00 1.82 2.06 0.00 3.18 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 4 K 7.86 3.80 0.00 1.83 1.76 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 5 L 8.93 3.99 0.00 1.60 1.61 0.91 1.01 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 6 A 8.29 4.87 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 7 L 7.94 4.87 0.00 1.59 1.52 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.39 4.54 0.00 1.66 1.62 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.44 7.81 9 T 8.48 3.98 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 1.22 0.00 0.00 10 I 7.83 4.04 0.92 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.50 -0.63 0.00 0.00 11 D 8.33 4.47 0.00 2.72 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 12 W 8.65 4.24 0.00 3.43 3.29 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 13 V 8.10 3.69 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 1.10 0.00 0.00 1.00 0.00 0.00 14 A 7.88 4.02 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 15 F 8.77 4.06 0.00 2.87 3.22 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 16 G 8.96 3.83 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 17 E 7.76 4.29 0.00 2.25 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 2.31 2.32 0.00 18 I 7.19 4.54 1.78 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.68 0.90 0.00 0.00 19 I 7.43 3.98 1.73 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.52 0.50 0.00 0.00 20 P 0.00 4.34 0.00 2.16 1.98 0.00 3.54 0.00 0.00 3.86 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 21 R 8.77 3.87 0.00 1.85 1.99 0.00 3.12 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 22 N 8.04 4.73 0.00 2.70 2.85 0.00 0.00 6.67 7.69 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 23 Q 8.26 4.53 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.69 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 24 K 7.97 3.74 0.00 1.87 1.91 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 25 A 8.14 3.95 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 26 V 7.88 3.51 2.24 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 1.16 0.00 0.00 0.93 0.00 0.00 27 A 7.92 4.20 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 28 N 8.56 4.31 0.00 2.93 2.97 0.00 0.00 6.74 6.75 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 29 S 8.40 4.16 0.00 4.06 3.90 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 30 L 8.41 4.10 0.00 2.32 2.01 1.05 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.89 3.82 0.00 2.18 1.83 0.00 1.54 0.00 0.00 0.84 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.56 1.90 7.81 32 S 8.18 4.37 0.00 4.11 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 33 W 8.14 4.67 0.00 3.51 3.31 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 34 N 8.21 4.51 0.00 2.96 3.08 0.00 0.00 7.31 7.67 0.00 0.00 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 8.02 3.84 0.00 2.10 1.87 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 2.08 2.02 0.00 36 T 9.02 3.81 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 1.13 0.00 0.00 37 L 8.54 3.59 0.00 1.42 1.43 0.18 -0.00 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 38 T 9.09 3.77 4.34 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 1.16 0.00 0.00 39 S 8.55 4.07 0.00 3.93 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 40 R 8.26 3.76 0.00 1.84 2.04 0.00 3.09 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 41 L 7.68 3.90 0.00 1.87 1.63 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.71 4.11 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.53 4.22 4.39 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 1.19 0.00 0.00 44 L 7.95 4.01 0.00 1.62 1.64 0.90 1.14 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 45 P 0.00 4.26 0.00 2.39 2.07 0.00 3.77 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 1.99 2.01 0.00 46 E 8.08 3.72 0.00 1.99 2.02 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 0.00 2.33 2.34 0.00 47 K 7.58 4.58 0.00 1.74 1.77 0.00 1.78 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.40 7.81 48 P 0.00 4.68 0.00 2.22 2.12 0.00 3.85 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 49 P 0.00 4.36 0.00 2.03 2.00 0.00 3.67 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 2.01 2.07 0.00 50 A 8.24 4.24 1.27 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 0.00 0.00 51 I 7.95 3.22 0.56 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 -1.05 0.00 0.00 52 D 8.34 4.52 0.00 2.73 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.40 4.38 0.00 3.51 3.32 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 54 A 8.41 4.41 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 55 Y 8.43 3.94 0.00 3.05 3.02 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 0.00 0.00 0.00 0.00 56 Y 7.82 3.85 0.00 3.37 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 57 K 9.04 3.89 0.00 1.79 2.06 0.00 1.84 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.50 7.81 58 A 8.27 4.12 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 59 N 7.40 4.71 0.00 2.40 2.64 0.00 0.00 7.01 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 60 V 8.28 3.77 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 0.69 0.00 0.00 1.10 0.00 0.00 61 A 8.55 4.11 1.27 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 0.00 0.00 62 K 7.82 4.04 0.00 1.70 1.66 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.41 7.81 63 A 8.56 3.98 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 64 G 8.85 3.95 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 0.00 0.00 0.00 65 L 7.50 3.66 0.00 1.52 1.44 0.66 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.58 3.63 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 1.34 0.00 0.00 0.99 0.00 0.00 67 D 8.07 4.28 0.00 2.89 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.55 4.33 0.00 2.93 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 69 F 9.08 4.30 0.00 3.29 3.42 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 0.00 70 E 8.23 2.00 0.00 1.46 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 1.47 1.47 0.00 71 K 7.58 3.78 0.00 2.01 1.82 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.50 7.81 72 K 8.07 3.96 0.00 1.75 1.88 0.00 1.79 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.48 1.47 7.81 73 F 8.66 4.22 0.00 3.38 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.56 4.33 0.00 2.91 2.90 0.00 0.00 7.14 7.24 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 75 A 8.34 4.23 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 76 L 7.32 3.86 0.00 1.61 1.55 0.87 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.35 4.22 0.00 1.74 1.74 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.51 7.81 78 V 8.00 3.79 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 0.77 0.00 0.00 0.85 0.00 0.00 79 P 0.00 4.42 0.00 2.08 1.96 0.00 3.71 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 2.02 2.09 0.00 80 I 8.10 4.13 1.88 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 1.47 0.48 0.93 0.00 0.00 81 P 0.00 4.33 0.00 2.29 2.16 0.00 3.79 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 2.04 2.04 0.00 82 E 8.66 4.02 0.00 1.87 1.84 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 2.29 2.28 0.00 83 D 8.38 4.76 0.00 2.66 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 84 K 6.46 4.19 0.00 1.60 1.60 0.00 1.44 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.85 0.46 7.81 85 Y 7.38 4.78 0.00 3.01 3.02 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 0.00 0.00 0.00 0.00 86 T 7.88 4.30 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 1.25 0.00 0.00 87 A 7.63 4.97 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 88 Q 8.43 3.85 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.60 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 89 V 7.39 3.21 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 1.06 0.00 0.00 0.94 0.00 0.00 90 D 7.84 4.56 0.00 2.84 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 91 A 8.16 4.07 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.37 4.00 0.00 2.01 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 2.30 2.34 0.00 93 E 8.48 4.72 0.00 2.18 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 2.35 2.49 0.00 94 K 8.21 3.95 0.00 1.81 1.85 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.63 7.81 95 E 8.25 4.01 0.00 2.03 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 2.29 2.34 0.00 96 D 7.88 4.35 0.00 2.78 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 97 V 7.50 3.59 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 1.04 0.00 0.00 1.00 0.00 0.00 98 K 7.77 4.13 0.00 1.85 1.85 0.00 1.80 0.00 0.00 1.98 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.58 7.81 99 S 10.18 4.04 0.00 4.06 3.79 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 0.00 100 C 9.78 4.34 0.00 3.05 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 0.00 101 A 8.09 3.51 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 0.00 102 E 7.75 3.91 0.00 2.32 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 2.32 0.00 103 F 9.76 4.47 0.00 3.18 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 0.00 104 L 7.31 3.86 0.00 1.92 1.90 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.65 3.92 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 1.19 0.00 0.00 106 Q 7.93 3.81 0.00 2.25 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.92 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 107 S 8.09 3.72 0.00 2.97 3.66 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 0.00 108 K 7.75 3.85 0.00 2.10 1.83 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.46 7.81 109 T 8.20 3.75 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 0.00 110 R 7.68 3.90 0.00 1.94 1.74 0.00 3.12 0.00 0.00 3.11 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 111 I 7.99 3.92 1.92 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 1.62 1.43 0.98 0.00 0.00 112 Q 8.32 3.99 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 113 E 8.15 3.87 0.00 2.08 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 2.32 2.00 0.00 114 Y 7.61 4.54 0.00 3.32 2.99 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 0.00 115 E 8.43 3.98 0.00 2.34 2.02 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 0.00 2.37 2.60 0.00 116 K 8.69 3.98 0.00 1.77 1.94 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.61 7.81 117 E 8.96 4.02 0.00 2.25 2.27 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 2.38 2.44 0.00 118 L 8.04 4.15 0.00 1.92 1.70 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.37 3.92 0.00 2.03 2.18 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 2.33 2.34 0.00 120 K 8.01 4.15 0.00 2.07 2.06 0.00 1.37 0.00 0.00 1.65 0.00 0.00 3.21 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 121 M 7.53 4.18 0.00 2.06 2.28 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 2.64 2.55 0.00 122 R 7.67 4.10 0.00 1.83 2.24 0.00 3.20 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 123 N 8.16 4.60 0.00 2.76 2.65 0.00 0.00 6.80 7.89 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