NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 M 4.3434 8.3001 120.3268 55.5147 34.3664 176.0744 0 A 4.2148 7.6786 131.4280 51.6794 17.2174 174.6114 1 M 4.4448 8.5835 120.3082 54.9401 33.3439 173.8148 2 R 5.0523 9.0183 124.7879 54.7825 33.1860 174.5837 3 I 4.5770 8.3378 122.8141 59.8981 38.9308 175.4064 4 Y 4.8738 9.0099 124.4787 59.0326 39.4013 174.8750 5 Y 5.2607 7.7998 118.4726 56.7679 42.7053 173.1964 6 I 4.8977 7.6480 125.1639 59.7602 41.7587 174.4196 7 G 4.2633 9.0158 112.4986 44.6598 0.0000 171.5218 8 V 4.6888 8.4074 121.9241 60.7722 34.0437 174.6661 9 F 5.0621 9.5052 126.0369 55.6001 43.2322 174.0167 10 R 4.6101 8.5635 121.0362 54.5382 31.7819 175.4067 11 S 4.3479 9.2301 124.3326 58.9761 63.1741 173.8884 12 G 4.3928 8.4977 116.2552 44.1253 0.0000 171.0801 13 G 3.7238 8.1737 106.5345 47.2765 0.0000 174.7364 14 E 3.9596 7.7670 122.1345 57.1577 30.0498 177.1306 15 K 4.3925 7.3817 114.9661 55.1639 35.0354 174.8796 16 A 4.3503 8.1658 122.9675 52.5530 19.2908 176.6925 17 L 4.5916 8.4789 122.9724 53.0873 44.0870 175.1965 18 E 3.0705 8.8246 128.2391 56.2328 29.3048 176.0063 19 L 4.2367 8.4583 127.9529 55.9181 43.0675 177.4934 20 S 4.5353 7.2356 111.8187 57.0508 65.7673 172.7761 21 E 4.8997 8.4035 125.8497 55.4828 33.0676 174.0113 22 V 4.5572 7.7910 114.3527 60.3021 36.5779 173.3457 23 K 5.1168 8.5165 121.5708 55.1848 36.7442 176.1005 24 D 4.6474 9.1735 120.7482 52.6649 42.1558 174.2130 25 L 5.1854 8.3427 122.7820 54.3985 42.0784 178.3551 26 S 4.4697 8.1140 112.6556 59.6682 62.9025 174.4944 27 Q 4.1224 8.0089 121.2222 56.5649 29.2855 174.4000 28 F 4.7796 7.7096 115.2887 55.4431 42.1266 175.1383 29 G 2.3655 7.8537 109.9459 44.6436 0.0000 175.1152 30 F 4.2708 6.6913 121.0815 60.3094 38.8982 177.7933 31 F 4.4973 7.2692 113.5692 59.0681 38.0904 176.2358 32 E 4.5569 7.2489 115.2928 56.0392 29.8183 177.4270 33 R 3.9741 7.6660 116.6978 57.6098 30.2781 176.9913 34 S 4.4876 7.6399 114.1238 60.4842 63.3538 175.8704 35 S 4.1218 7.8153 115.3103 61.1768 62.2616 175.9782 36 V 3.4753 8.1175 121.6439 65.6647 31.1476 178.2541 37 G 3.5439 7.8794 104.9532 47.9118 0.0000 175.0370 38 Q 4.0140 7.9422 122.3835 58.8582 28.9014 178.4168 39 F 4.0508 8.3143 121.4388 61.3889 39.3587 176.5164 40 M 3.9853 8.0647 117.7127 59.0706 32.0518 178.0263 41 T 3.7348 7.7780 115.5525 66.7821 68.6302 176.3292 42 F 4.0286 8.1748 122.1836 61.0392 39.4149 176.8878 43 F 3.9548 8.4096 120.4839 61.0839 39.1214 176.7222 44 A 3.4001 8.0828 120.7572 55.0559 18.1047 179.2150 45 E 3.2552 7.8397 117.4808 59.5019 29.5550 179.0518 46 T 3.5029 7.4018 115.8852 66.6581 68.5167 176.8533 47 V 3.5468 7.3831 113.1941 63.3269 31.3211 178.4409 48 A 3.7910 6.9516 120.3744 54.8470 18.2017 179.4917 49 S 4.1061 7.6650 112.8924 61.3315 62.9526 176.5001 50 R 4.0532 7.4012 120.9259 57.9478 29.9097 176.6724 51 T 4.3419 6.8851 114.9572 62.5840 69.2003 175.0569 52 G 3.8248 9.7514 116.6582 44.2058 0.0000 172.4150 53 A 4.3014 8.2407 122.9109 53.3037 18.6174 178.3236 54 G 4.0464 9.6867 112.4622 45.3639 0.0000 172.7577 55 Q 4.5800 7.8929 121.3797 54.4236 31.0336 174.1944 56 R 5.1957 8.3148 125.8261 54.5549 32.7711 174.1309 57 Q 4.6661 9.0038 122.9163 55.3367 32.8100 173.6383 58 S 5.2180 8.6138 115.1713 57.0791 65.7501 173.5171 59 I 4.4010 8.8324 127.1861 60.0671 38.8035 175.0147 60 E 4.8419 8.8395 126.6755 55.4077 30.8550 175.8913 61 E 4.3905 9.0264 125.1202 54.9313 32.0842 176.6020 62 G 3.7479 8.2830 119.4349 46.9602 0.0000 173.1242 63 N 4.5487 8.3145 123.9046 52.9135 39.2161 173.4307 64 Y 5.3834 7.3623 116.8274 56.6188 41.2742 174.5913 65 I 5.1756 9.2809 121.0322 59.8004 41.7223 175.0866 66 G 4.0774 9.6280 114.6665 44.9508 0.0000 171.8834 67 H 5.4420 9.5455 126.2049 54.4883 30.2418 175.2996 68 V 4.9789 9.1771 122.9848 60.1810 35.2325 174.0555 69 Y 5.2497 8.9309 123.7700 56.3098 42.1976 173.2998 70 A 4.7291 8.9758 129.5702 50.3335 20.9600 176.5332 71 R 4.1222 8.4327 123.5340 55.4313 31.2280 177.5997 72 S 4.2136 8.4982 117.8783 61.6343 62.9564 176.0337 73 E 4.0976 8.1112 118.5418 57.5546 29.5471 176.9234 74 G 4.0042 7.5626 106.7899 45.0966 0.0000 173.6552 75 I 4.5275 7.5480 113.6468 59.5026 40.8366 174.1215 76 C 4.9109 8.9515 122.5672 57.7597 35.0613 172.7646 77 G 4.3791 8.8857 113.5056 44.8351 0.0000 172.6738 78 V 5.0862 8.8618 122.4381 60.9023 35.3034 173.9373 79 L 5.1987 9.6557 128.3181 53.1431 44.9297 175.4907 80 I 4.9660 8.9812 126.0836 60.2648 38.9582 174.7234 81 T 5.4966 8.7896 118.3747 59.5988 72.6018 172.9093 82 D 5.1252 8.7727 120.2947 54.1779 41.4596 177.9629 83 K 3.9762 8.6421 123.2853 59.3959 32.2073 177.3578 84 E 4.6782 8.0477 115.4354 55.9559 29.8430 174.9826 85 Y 4.0295 8.3250 121.4133 56.4859 39.6006 174.3279 86 P 4.1465 0.0000 0.0000 62.9590 32.2437 176.9476 87 V 3.2296 8.3847 122.6205 65.9659 31.5318 177.4929 88 R 3.7386 7.7924 117.6089 59.2625 29.8405 176.3840 89 P 4.2685 0.0000 0.0000 65.4303 31.3861 178.3619 90 A 4.0176 7.8797 119.0339 55.6493 18.3422 179.4052 91 Y 4.3620 8.2642 115.4558 61.5652 37.9799 179.0052 92 T 3.9657 8.0638 116.9375 66.3451 68.4516 176.6028 93 L 3.6929 7.7965 122.4544 57.7942 41.9660 178.9789 94 L 3.9994 7.8956 118.9216 58.0224 41.5885 179.3229 95 N 4.4316 8.2561 116.3492 55.8760 38.3688 177.5861 96 K 3.9125 7.8238 120.8776 59.5547 32.3077 178.9312 97 I 3.8460 8.0564 120.4743 64.5176 37.0764 178.5098 98 L 3.9670 8.2426 120.0379 57.8474 40.9581 179.2759 99 D 4.4159 8.3147 118.9163 57.5541 40.7569 178.8137 100 E 4.0992 8.3306 119.1164 59.4221 29.3815 178.7783 101 Y 3.8757 8.3623 119.8738 60.6455 38.6890 177.9614 102 L 4.1593 8.0228 118.6860 57.1829 41.6916 179.3996 103 V 3.8001 7.1636 116.5261 65.7763 31.7442 177.6190 104 A 4.2347 7.9018 119.1299 53.6107 18.6456 176.7361 105 H 4.6599 7.8383 114.8566 52.8078 29.5690 171.9560 106 P 4.4451 0.0000 0.0000 62.1220 32.1933 177.5565 107 K 2.4800 8.6787 121.2820 59.1703 31.9818 178.6066 108 E 3.8396 7.6889 114.5122 58.1856 29.5993 177.5966 109 E 4.1408 7.5929 119.3945 58.1528 29.6825 177.2934 110 W 5.0897 6.6715 110.9270 55.2745 29.9064 175.7443 111 A 4.0918 7.5640 122.7702 54.9909 18.2201 177.8530 112 D 5.0341 7.7034 112.6539 52.8280 40.9750 175.5814 113 V 4.5532 7.4107 112.0620 59.5408 35.3604 176.7673 114 T 4.1602 8.5890 113.9187 63.7362 69.2645 173.9324 115 E 4.6218 7.6390 117.6520 55.0568 32.2630 173.8951 116 T 4.3739 8.1477 114.3222 61.1596 68.9762 172.0909 117 N 4.9571 7.9974 119.3328 51.3838 40.5883 174.9165 118 D 4.3178 8.7142 116.8344 57.4093 40.8690 178.4915 119 A 4.2573 8.1950 120.0305 53.6443 18.4479 177.7013 120 L 4.5791 7.7175 114.7225 54.0567 42.1324 176.3356 121 K 4.2843 7.6982 119.9318 55.4119 33.2316 176.0601 122 M 4.5944 8.5855 124.0885 53.3477 33.1312 176.4657 123 K 3.9475 8.5242 127.2766 59.4671 32.2583 179.0199 124 Q 3.7276 8.0203 117.7721 58.5838 28.3053 178.9931 125 L 3.8021 7.3500 120.1673 57.9621 41.0170 178.8388 126 D 4.3932 7.8208 118.4817 57.9704 40.6555 179.5169 127 T 4.0314 7.5422 115.1539 66.8155 68.8101 176.5595 128 Y 4.7082 8.4886 118.9764 61.3615 37.6353 178.6790 129 I 3.8664 8.1930 119.3055 63.8038 38.1051 177.9758 130 S 4.3269 7.4234 112.1684 61.1877 63.2950 175.2681 131 K 3.8358 8.2845 122.9733 60.0721 31.8747 178.4580 132 Y 4.3978 7.8182 114.0422 58.3810 37.6631 175.6882 133 Q 4.2980 7.9261 119.5214 56.7443 29.2311 175.5643 134 D 4.2532 8.9807 122.0877 54.2973 38.2243 172.2450 135 P 4.3848 0.0000 0.0000 62.6853 31.4484 177.1709 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 8.30 4.34 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 0 A 7.68 4.21 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 1 M 8.58 4.44 0.00 1.81 1.89 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.62 0.00 2 R 9.02 5.05 0.00 1.80 0.96 0.00 3.11 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.50 0.00 3 I 8.34 4.58 1.86 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 0.83 0.84 0.92 0.00 0.00 4 Y 9.01 4.87 0.00 3.11 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 5 Y 7.80 5.26 0.00 3.15 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 6 I 7.65 4.90 1.68 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 1.13 0.75 0.84 0.00 0.00 7 G 9.02 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 0.00 0.00 0.00 0.00 8 V 8.41 4.69 1.39 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 -0.10 0.00 0.00 0.57 0.00 0.00 9 F 9.51 5.06 0.00 2.81 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 10 R 8.56 4.61 0.00 1.87 1.84 0.00 3.35 0.00 0.00 3.69 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 11 S 9.23 4.35 0.00 3.83 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 12 G 8.50 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 0.00 0.00 0.00 0.00 13 G 8.17 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 14 E 7.77 3.96 0.00 1.94 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 2.31 2.33 0.00 15 K 7.38 4.39 0.00 1.97 1.69 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.30 1.41 7.81 16 A 8.17 4.35 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 17 L 8.48 4.59 0.00 1.85 1.58 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.82 3.07 0.00 1.50 1.64 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 1.91 1.50 0.00 19 L 8.46 4.24 0.00 1.25 1.59 0.56 0.76 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 20 S 7.24 4.54 0.00 3.96 3.45 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 0.00 21 E 8.40 4.90 0.00 1.80 1.62 0.00 0.00 0.00 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 2.66 0.00 22 V 7.79 4.56 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 0.62 0.00 0.00 0.86 0.00 0.00 23 K 8.52 5.12 0.00 1.69 1.98 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.69 1.53 7.81 24 D 9.17 4.65 0.00 2.68 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.34 5.19 0.00 1.89 1.83 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.11 4.47 0.00 4.03 4.07 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 27 Q 8.01 4.12 0.00 2.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.23 0.00 28 F 7.71 4.78 0.00 2.94 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 29 G 7.85 2.37 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 0.00 30 F 6.69 4.27 0.00 3.09 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 31 F 7.27 4.50 0.00 3.22 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 32 E 7.25 4.56 0.00 2.20 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 0.00 1.65 2.18 0.00 33 R 7.67 3.97 0.00 1.82 2.04 0.00 3.31 0.00 0.00 3.26 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.88 0.00 34 S 7.64 4.49 0.00 3.90 3.84 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 35 S 7.82 4.12 0.00 3.93 3.80 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 36 V 8.12 3.48 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.55 0.00 0.00 37 G 7.88 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 7.94 4.01 0.00 2.29 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 39 F 8.31 4.05 0.00 3.17 3.15 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 0.00 40 M 8.06 3.99 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.74 0.00 41 T 7.78 3.73 4.42 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 1.26 0.00 0.00 42 F 8.17 4.03 0.00 3.09 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 43 F 8.41 3.95 0.00 2.09 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 44 A 8.08 3.40 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 45 E 7.84 3.26 0.00 2.14 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 2.23 2.53 0.00 46 T 7.40 3.50 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 1.04 0.00 0.00 47 V 7.38 3.55 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 0.54 0.00 0.00 0.42 0.00 0.00 48 A 6.95 3.79 0.42 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 0.00 0.00 49 S 7.66 4.11 0.00 3.70 3.84 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 50 R 7.40 4.05 0.00 1.77 1.84 0.00 3.21 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 51 T 6.89 4.34 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 1.23 0.00 0.00 52 G 9.75 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.24 4.30 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 54 G 9.69 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 55 Q 7.89 4.58 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 56 R 8.31 5.20 0.00 1.27 1.37 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.73 0.00 57 Q 9.00 4.67 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.51 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 58 S 8.61 5.22 0.00 3.87 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 0.00 59 I 8.83 4.40 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.73 1.10 0.00 0.00 60 E 8.84 4.84 0.00 1.90 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 2.35 2.36 0.00 61 E 9.03 4.39 0.00 1.72 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 1.82 2.36 0.00 62 G 8.28 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 N 8.31 4.55 0.00 2.12 2.56 0.00 0.00 6.73 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 64 Y 7.36 5.38 0.00 3.01 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 65 I 9.28 5.18 1.96 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 1.28 0.86 0.83 0.00 0.00 66 G 9.63 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 0.00 0.00 0.00 67 H 9.55 5.44 0.00 3.16 3.45 0.00 5.56 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 9.18 4.98 1.94 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 0.78 0.00 0.00 0.87 0.00 0.00 69 Y 8.93 5.25 0.00 2.77 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 70 A 8.98 4.73 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 71 R 8.43 4.12 0.00 1.39 1.61 0.00 2.82 0.00 0.00 2.78 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.43 0.00 72 S 8.50 4.21 0.00 3.92 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 0.00 73 E 8.11 4.10 0.00 2.01 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 0.00 2.40 2.43 0.00 74 G 7.56 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 0.00 0.00 0.00 75 I 7.55 4.53 1.47 0.00 0.00 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 1.04 0.92 -0.18 0.00 0.00 76 C 8.95 4.91 0.00 2.79 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 77 G 8.89 4.38 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 0.00 78 V 8.86 5.09 2.39 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 0.98 0.00 0.00 0.69 0.00 0.00 79 L 9.66 5.20 0.00 1.63 1.54 0.92 -0.50 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 80 I 8.98 4.97 2.12 0.00 0.00 0.62 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 0.72 1.18 0.00 0.00 81 T 8.79 5.50 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 0.75 0.00 0.00 82 D 8.77 5.13 0.00 2.87 2.82 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 0.00 0.00 0.00 0.00 83 K 8.64 3.98 0.00 2.01 1.92 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.62 7.81 84 E 8.05 4.68 0.00 2.02 1.94 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 2.25 2.22 0.00 85 Y 8.33 4.03 0.00 3.09 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 86 P 0.00 4.15 0.00 1.97 1.87 0.00 2.46 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.97 0.00 87 V 8.38 3.23 1.86 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 0.29 0.00 0.00 0.85 0.00 0.00 88 R 7.79 3.74 0.00 1.87 1.87 0.00 3.27 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 89 P 0.00 4.27 0.00 2.37 2.13 0.00 3.75 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 2.03 2.13 0.00 90 A 7.88 4.02 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 91 Y 8.26 4.36 0.00 3.05 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 92 T 8.06 3.97 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 93 L 7.80 3.69 0.00 1.49 1.72 0.09 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.90 4.00 0.00 2.03 1.81 1.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 95 N 8.26 4.43 0.00 2.92 2.93 0.00 0.00 6.71 7.92 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 96 K 7.82 3.91 0.00 1.87 1.80 0.00 1.38 0.00 0.00 1.04 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.42 7.81 97 I 8.06 3.85 2.01 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 1.78 0.58 0.92 0.00 0.00 98 L 8.24 3.97 0.00 1.66 1.60 0.62 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 99 D 8.31 4.42 0.00 2.79 2.75 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 0.00 0.00 0.00 0.00 100 E 8.33 4.10 0.00 2.15 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 0.00 2.41 2.68 0.00 101 Y 8.36 3.88 0.00 3.21 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 0.00 102 L 8.02 4.16 0.00 1.80 1.82 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.16 3.80 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 0.80 0.00 0.00 1.01 0.00 0.00 104 A 7.90 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 H 7.84 4.66 0.00 3.04 3.43 0.00 5.69 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 0.00 106 P 0.00 4.45 0.00 2.12 1.96 0.00 3.62 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 2.09 0.00 107 K 8.68 2.48 0.00 1.59 1.53 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.04 0.32 7.81 108 E 7.69 3.84 0.00 1.98 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 0.00 2.15 2.23 0.00 109 E 7.59 4.14 0.00 2.22 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 0.00 2.37 2.43 0.00 110 W 6.67 5.09 0.00 3.54 3.20 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 0.00 111 A 7.56 4.09 1.05 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 0.00 112 D 7.70 5.03 0.00 2.59 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 0.00 113 V 7.41 4.55 2.35 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 0.86 0.00 0.00 1.11 0.00 0.00 114 T 8.59 4.16 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 0.00 115 E 7.64 4.62 0.00 2.05 1.94 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 2.19 2.30 0.00 116 T 8.15 4.37 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 1.18 0.00 0.00 117 N 8.00 4.96 0.00 2.94 2.89 0.00 0.00 5.94 8.07 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 0.00 118 D 8.71 4.32 0.00 2.73 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 0.00 119 A 8.19 4.26 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 0.00 120 L 7.72 4.58 0.00 1.86 1.74 1.11 1.15 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 0.00 121 K 7.70 4.28 0.00 1.74 1.82 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.33 7.81 122 M 8.59 4.59 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 123 K 8.52 3.95 0.00 1.78 1.79 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.50 7.81 124 Q 8.02 3.73 0.00 1.67 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 125 L 7.35 3.80 0.00 1.58 1.63 0.79 1.13 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 0.00 126 D 7.82 4.39 0.00 2.75 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 0.00 127 T 7.54 4.03 4.38 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 1.29 0.00 0.00 128 Y 8.49 4.71 0.00 3.09 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 0.00 129 I 8.19 3.87 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 1.56 0.79 1.02 0.00 0.00 130 S 7.42 4.33 0.00 3.95 3.92 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 0.00 0.00 0.00 0.00 131 K 8.28 3.84 0.00 1.79 1.59 0.00 0.61 0.00 0.00 1.21 0.00 0.00 2.83 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.76 1.17 7.81 132 Y 7.82 4.40 0.00 3.19 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 0.00 133 Q 7.93 4.30 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.82 6.39 0.00 0.00 0.00 0.00 0.00 2.70 2.50 0.00 134 D 8.98 4.25 0.00 2.82 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 0.00 135 P 0.00 4.38 0.00 2.06 1.96 0.00 3.39 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.17 0.00