NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3998 8.3044 120.3279 55.2502 33.3835 173.6540 2 E 4.0342 8.4583 120.3167 55.0151 30.5579 175.3190 3 A 4.0650 9.3182 129.3847 52.9374 19.8428 177.0564 4 L 4.1717 8.5384 120.3531 55.4049 42.2753 177.8321 5 G 3.7820 9.2653 104.9080 45.7235 0.0000 172.6111 6 A 4.5341 7.4669 116.2666 51.0330 21.9202 176.4161 7 D 4.7751 8.7880 121.7032 53.3000 42.6798 175.8134 8 V 4.6182 8.3929 122.4464 61.4240 34.3256 175.0535 9 T 4.4415 7.8321 123.0319 61.6816 68.9456 174.1667 10 Q 3.8375 8.7043 124.9410 56.7316 29.0463 177.5649 11 G 4.1076 8.8142 109.2686 45.9101 0.0000 172.4603 12 L 5.0885 7.9247 119.5223 52.8632 46.4522 174.9446 13 E 5.2526 9.2810 119.1660 54.1484 34.6662 175.1097 14 K 4.0817 8.3999 122.4868 58.1118 32.4409 177.1061 15 G 4.0024 9.5012 116.2034 45.0853 0.0000 173.9314 16 S 4.2891 7.8632 116.3617 58.5604 64.2495 173.5645 17 L 5.1127 8.4695 123.5945 53.4599 42.5414 175.6771 18 I 4.5765 8.2533 117.5141 58.8665 41.3639 174.9542 19 T 4.2986 8.8702 119.7008 63.5925 69.7677 174.1170 20 C 4.7841 8.5604 126.4393 57.7645 31.1631 173.7529 21 A 4.4948 8.6445 133.0489 49.1839 16.2180 174.7166 22 D 4.9379 7.5304 120.2582 52.8172 42.5808 176.8010 23 N 5.0254 8.5549 114.5551 52.7207 37.7067 176.2324 24 T 3.9269 8.2601 111.6708 64.1047 69.3857 174.9911 25 G 3.8898 8.3213 108.9318 45.2361 0.0000 172.8881 26 A 4.4528 7.4671 123.5155 51.3663 19.1860 177.2032 27 R 4.1719 9.0280 123.3427 58.8791 31.1419 176.1248 28 E 5.1298 8.0560 119.3908 54.3325 32.5216 174.0248 29 L 5.2529 8.8393 125.4092 52.7493 46.0030 175.1186 30 K 5.0049 8.6017 122.1073 54.4627 35.0658 175.4525 31 V 3.9990 8.6913 128.1216 63.2860 32.0774 176.1070 32 I 4.1428 8.3631 127.4951 62.7413 39.8272 175.6277 33 S 4.6812 7.7461 115.0902 57.4630 68.1843 173.3325 34 V 4.6371 8.1548 120.4632 60.9922 33.9525 174.3864 35 H 4.2231 9.2302 128.6337 57.7036 30.1104 175.1342 36 G 3.8633 8.4629 112.9185 46.1963 0.0000 172.4845 37 Y 4.5037 7.5830 120.5876 56.2578 40.1386 175.4070 38 S 4.3359 6.6372 119.3914 57.4048 64.4045 176.1314 39 G 4.1665 7.5259 122.1625 44.3807 0.0000 174.0683 40 T 4.4538 8.5722 117.7723 59.8997 69.8580 171.8000 41 K 3.9741 8.4019 125.5045 58.1095 32.3156 176.5409 42 N 4.5498 9.0235 122.4449 53.5235 37.2639 174.3992 43 R 3.9668 8.1242 119.2175 55.6420 30.1681 175.8651 44 L 4.1224 8.5229 126.5448 53.7026 41.8140 175.0001 45 P 4.3979 0.0000 0.0000 63.5743 31.7290 175.1866 46 K 5.0355 8.0222 122.7180 55.1467 35.0473 175.5162 47 A 4.5579 8.7288 123.5897 50.4697 22.5828 175.7439 48 G 4.4093 9.3793 110.1527 43.6206 0.0000 171.1373 49 L 3.8576 8.3072 121.6333 56.6395 42.2257 178.3313 50 G 4.0915 8.8393 113.9946 45.4638 0.0000 172.6768 51 D 4.9500 7.6614 119.8112 52.8519 43.2154 175.3357 52 K 4.9299 8.6146 123.2826 55.3757 34.0461 175.2568 53 I 5.0742 8.7210 120.4428 59.3275 41.3203 174.8192 54 T 4.5648 8.4806 121.1535 63.8441 69.9016 173.8147 55 V 5.0152 8.9569 124.1528 61.6742 36.0603 173.3896 56 S 5.2346 8.7379 117.2803 56.3989 66.8454 173.2556 57 V 4.3484 8.3072 122.3007 62.7350 31.7168 176.5569 58 T 4.1628 8.5731 125.8880 65.5275 69.3980 175.8183 59 K 4.5458 8.9680 119.3537 53.6513 36.1790 177.4528 60 G 3.5715 8.2149 109.8445 45.8053 0.0000 171.5171 61 T 4.1071 7.7968 111.4597 60.9589 69.6325 173.9296 62 P 4.2053 0.0000 0.0000 66.0038 31.2562 178.5383 63 E 4.1249 8.1198 115.3645 59.1756 29.4529 178.4583 64 M 4.2427 8.6895 118.9675 56.3105 33.0224 177.2957 65 R 4.0774 6.8035 117.7787 57.6119 30.7563 177.9872 66 R 3.9945 8.4498 117.1640 56.8786 29.3706 176.8916 67 Q 4.1896 7.6382 117.5487 55.6709 30.2290 175.6507 68 V 4.2841 8.3717 123.3273 61.9610 32.0204 174.2875 69 L 4.8835 8.4409 129.5403 52.8226 45.2707 174.8244 70 E 5.1552 8.3785 118.4454 55.3740 33.2909 174.6900 71 A 5.0087 8.3212 123.9824 51.3454 23.7223 175.0583 72 V 4.4801 7.9798 118.2368 60.8105 34.8824 174.8447 73 V 3.7769 8.3260 128.0750 63.2098 31.7809 176.2796 74 V 3.8579 8.9032 129.1252 64.5800 33.2372 175.9194 75 R 4.0652 7.3563 117.3976 54.2877 34.8577 174.2933 76 Q 4.8554 7.9645 118.8548 54.7251 31.7963 176.1769 77 R 4.2744 9.2281 120.5714 58.5740 30.4421 177.7745 78 K 4.1534 7.8956 118.9472 55.6312 33.1230 175.3185 79 P 4.9414 0.0000 0.0000 63.1280 32.7839 174.9626 80 I 4.9124 8.7079 113.8477 59.2931 41.6929 173.8851 81 R 4.9591 8.9351 124.2937 54.8582 31.9426 175.8546 82 R 4.6717 8.7048 125.5704 54.3780 31.4508 175.6537 83 P 4.2508 0.0000 0.0000 65.7301 31.3463 176.9572 84 D 4.6507 8.1182 115.2908 52.9668 39.5615 176.2047 85 G 4.1696 8.5570 110.7839 46.0931 0.0000 174.9095 86 T 4.0511 7.6251 115.2957 64.0444 69.6163 173.6718 87 R 5.1905 8.4568 122.7472 54.5851 32.7610 175.6817 88 V 4.5595 8.7530 122.5086 60.9984 34.6384 174.4055 89 K 5.0951 8.2992 124.8420 55.7475 35.6611 175.1362 90 F 4.7654 8.9808 120.5553 55.6558 41.6757 176.4384 91 E 4.1464 9.0159 120.0897 58.8553 29.6997 175.0184 92 D 4.7211 7.7018 115.4907 52.7933 42.5399 173.4293 93 N 5.2660 8.7368 114.8480 51.7701 41.2306 173.9808 94 A 5.1613 9.1172 124.4187 50.6772 23.3401 174.4763 95 A 5.0838 9.3557 120.8737 50.1371 23.8440 175.1771 96 V 4.4772 8.2931 118.4037 60.7094 34.4655 175.0702 97 I 4.2935 8.4335 129.0289 62.0094 37.9527 175.5978 98 V 5.0217 8.4697 125.5982 60.0924 35.0597 173.9696 99 D 5.0814 7.9397 119.0864 51.0424 41.9043 176.2668 100 E 3.7877 8.8158 117.4212 59.8215 29.2767 178.1016 101 N 4.6967 8.7450 113.1034 52.6552 38.9697 174.5644 102 E 3.8114 8.7887 117.2634 57.7129 27.3886 173.8576 103 D 5.3507 8.4190 117.9926 50.8028 42.5003 174.2689 104 P 4.1930 0.0000 0.0000 63.2192 31.2815 176.1458 105 R 3.9063 8.7593 124.0914 58.9211 30.2260 176.8081 106 G 3.9897 7.6938 105.3136 45.0859 0.0000 172.3233 107 T 4.3760 8.5434 113.8127 64.4080 70.0719 175.2570 108 E 4.7807 8.5578 119.5356 54.4525 34.0255 174.8289 109 L 4.9800 8.3935 123.0765 52.9890 42.9060 176.7615 110 K 4.2385 8.6631 123.0296 55.9059 33.7535 177.5164 111 G 3.7639 8.6654 111.3993 44.9437 0.0000 170.5993 112 P 4.8975 0.0000 0.0000 62.7634 32.8321 175.5348 113 I 4.7402 8.2634 118.6564 59.5476 42.0859 174.9263 114 A 4.7289 8.2902 126.5693 51.7685 19.2331 179.1122 115 R 3.9545 8.9526 118.6382 59.5979 29.4539 179.2360 116 E 4.0763 8.2279 118.5298 58.9372 29.4982 179.1817 117 V 3.7861 7.8493 117.9145 65.5151 31.2706 178.0207 118 A 4.0158 7.6633 119.8390 55.3868 18.3966 179.1691 119 Q 4.0427 8.2033 114.6175 58.8003 28.6969 179.0081 120 R 4.1822 7.2617 117.0818 57.1740 31.9959 178.2326 121 F 4.7341 8.4027 122.4791 54.8828 38.0323 176.3404 122 G 3.8446 8.3330 109.9240 48.0253 0.0000 172.2880 123 S 4.3358 8.1192 118.1210 60.3398 62.7514 176.6167 124 V 3.5747 7.8699 120.9986 65.5203 31.2801 177.6920 125 A 4.0649 8.1885 120.8784 55.1486 18.1469 180.1250 126 S 4.4560 8.6626 108.9175 59.1027 62.5217 175.0759 127 A 4.5989 7.6860 122.0040 51.6482 20.3417 176.9838 128 A 4.1922 8.6160 120.8407 52.0081 18.9690 177.8215 129 T 4.0457 8.7232 120.7993 66.4586 68.9845 174.4955 130 M 4.9091 7.8588 120.0116 53.4268 35.7929 174.4565 131 I 4.7806 8.4003 122.4640 59.6174 40.4311 175.5697 132 V 4.0539 8.8940 127.0628 62.9021 31.0969 175.2339 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 4.40 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 2 E 8.46 4.03 0.00 1.93 1.76 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 2.23 2.34 0.00 3 A 9.32 4.07 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 4 L 8.54 4.17 0.00 1.67 1.76 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.27 3.78 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 0.00 0.00 0.00 6 A 7.47 4.53 1.24 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 0.00 0.00 7 D 8.79 4.78 0.00 2.61 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.39 4.62 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 0.85 0.00 0.00 0.96 0.00 0.00 9 T 7.83 4.44 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 1.22 0.00 0.00 10 Q 8.70 3.84 0.00 1.86 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.02 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 11 G 8.81 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 12 L 7.92 5.09 0.00 1.69 1.48 0.86 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 13 E 9.28 5.25 0.00 1.78 1.77 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 2.18 2.21 0.00 14 K 8.40 4.08 0.00 1.72 1.71 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.52 7.81 15 G 9.50 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 16 S 7.86 4.29 0.00 3.79 3.77 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 17 L 8.47 5.11 0.00 1.50 1.60 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.25 4.58 1.91 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.91 0.87 0.00 0.00 19 T 8.87 4.30 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 1.19 0.00 0.00 20 C 8.56 4.78 0.00 3.01 3.05 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 21 A 8.64 4.49 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 22 D 7.53 4.94 0.00 2.59 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 23 N 8.55 5.03 0.00 2.82 2.90 0.00 0.00 6.00 7.71 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 24 T 8.26 3.93 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 1.30 0.00 0.00 25 G 8.32 3.89 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 0.00 0.00 0.00 26 A 7.47 4.45 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 27 R 9.03 4.17 0.00 1.85 1.96 0.00 3.08 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 28 E 8.06 5.13 0.00 2.01 1.75 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 2.25 2.28 0.00 29 L 8.84 5.25 0.00 1.55 1.47 0.87 0.75 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 30 K 8.60 5.00 0.00 1.78 1.60 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.33 7.81 31 V 8.69 4.00 2.22 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 0.84 0.00 0.00 0.94 0.00 0.00 32 I 8.36 4.14 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 1.22 0.94 0.92 0.00 0.00 33 S 7.75 4.68 0.00 3.75 3.74 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 34 V 8.15 4.64 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 0.99 0.00 0.00 0.81 0.00 0.00 35 H 9.23 4.22 0.00 3.22 3.33 0.00 6.14 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.46 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 37 Y 7.58 4.50 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 38 S 6.64 4.34 0.00 3.82 3.68 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 39 G 7.53 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.57 4.45 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 1.23 0.00 0.00 41 K 8.40 3.97 0.00 1.75 1.75 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.52 7.81 42 N 9.02 4.55 0.00 2.95 3.03 0.00 0.00 7.07 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 43 R 8.12 3.97 0.00 1.75 2.10 0.00 3.36 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 44 L 8.52 4.12 0.00 1.84 1.63 1.01 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.40 0.00 2.11 2.44 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 2.10 2.06 0.00 46 K 8.02 5.04 0.00 1.63 1.73 0.00 1.48 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.10 1.09 7.81 47 A 8.73 4.56 1.12 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 48 G 9.38 4.41 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 0.00 49 L 8.31 3.86 0.00 1.61 1.60 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.84 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 0.00 0.00 0.00 51 D 7.66 4.95 0.00 2.64 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 52 K 8.61 4.93 0.00 2.00 1.72 0.00 1.68 0.00 0.00 2.02 0.00 0.00 2.67 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.45 1.54 7.81 53 I 8.72 5.07 2.01 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 1.17 0.56 0.87 0.00 0.00 54 T 8.48 4.56 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 1.26 0.00 0.00 55 V 8.96 5.02 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 1.02 0.00 0.00 0.96 0.00 0.00 56 S 8.74 5.23 0.00 3.89 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 57 V 8.31 4.35 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 0.92 0.00 0.00 0.94 0.00 0.00 58 T 8.57 4.16 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 1.25 0.00 0.00 59 K 8.97 4.55 0.00 1.72 1.63 0.00 1.93 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.40 7.81 60 G 8.21 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.80 4.11 4.24 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 1.21 0.00 0.00 62 P 0.00 4.21 0.00 2.18 2.15 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 63 E 8.12 4.12 0.00 1.93 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 2.31 2.34 0.00 64 M 8.69 4.24 0.00 1.87 2.20 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.70 0.00 65 R 6.80 4.08 0.00 2.07 1.86 0.00 3.24 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 66 R 8.45 3.99 0.00 1.98 2.06 0.00 3.15 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 67 Q 7.64 4.19 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 68 V 8.37 4.28 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 0.80 0.00 0.00 0.93 0.00 0.00 69 L 8.44 4.88 0.00 1.62 1.56 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.38 5.16 0.00 2.00 1.90 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 2.24 2.26 0.00 71 A 8.32 5.01 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 72 V 7.98 4.48 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 0.01 0.00 0.00 -0.11 0.00 0.00 73 V 8.33 3.78 2.19 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 0.75 0.00 0.00 0.90 0.00 0.00 74 V 8.90 3.86 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 0.76 0.00 0.00 0.85 0.00 0.00 75 R 7.36 4.07 0.00 1.45 1.07 0.00 3.21 0.00 0.00 3.62 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.26 0.00 76 Q 7.96 4.86 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.92 0.00 0.00 0.00 0.00 0.00 2.28 2.60 0.00 77 R 9.23 4.27 0.00 1.84 2.06 0.00 3.14 0.00 0.00 3.02 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.55 0.00 78 K 7.90 4.15 0.00 1.76 1.73 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.55 7.81 79 P 0.00 4.94 0.00 2.13 1.98 0.00 3.61 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 80 I 8.71 4.91 2.05 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 1.38 1.25 1.00 0.00 0.00 81 R 8.94 4.96 0.00 1.88 1.83 0.00 3.09 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 82 R 8.70 4.67 0.00 1.93 1.83 0.00 3.22 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.62 0.00 83 P 0.00 4.25 0.00 2.04 2.16 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 2.05 2.12 0.00 84 D 8.12 4.65 0.00 2.78 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 85 G 8.56 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.63 4.05 4.41 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 1.19 0.00 0.00 87 R 8.46 5.19 0.00 1.66 1.83 0.00 3.32 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 88 V 8.75 4.56 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 0.76 0.00 0.00 0.91 0.00 0.00 89 K 8.30 5.10 0.00 2.00 1.74 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.44 7.81 90 F 8.98 4.77 0.00 3.15 3.05 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 91 E 9.02 4.15 0.00 1.96 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 2.31 2.26 0.00 92 D 7.70 4.72 0.00 2.67 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 93 N 8.74 5.27 0.00 2.60 2.69 0.00 0.00 6.49 7.45 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 94 A 9.12 5.16 1.11 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 95 A 9.36 5.08 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.29 4.48 1.96 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 0.97 0.00 0.00 0.91 0.00 0.00 97 I 8.43 4.29 1.84 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 1.25 0.38 0.91 0.00 0.00 98 V 8.47 5.02 1.98 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 0.71 0.00 0.00 0.95 0.00 0.00 99 D 7.94 5.08 0.00 2.97 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 0.00 100 E 8.82 3.79 0.00 1.98 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 0.00 2.34 2.38 0.00 101 N 8.75 4.70 0.00 2.97 2.85 0.00 0.00 7.14 7.22 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 0.00 102 E 8.79 3.81 0.00 2.22 2.41 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 2.35 2.33 0.00 103 D 8.42 5.35 0.00 2.90 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 0.00 104 P 0.00 4.19 0.00 2.15 2.10 0.00 3.79 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 105 R 8.76 3.91 0.00 1.78 1.98 0.00 3.24 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 106 G 7.69 3.99 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 0.00 0.00 0.00 107 T 8.54 4.38 4.24 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 1.21 0.00 0.00 108 E 8.56 4.78 0.00 1.86 1.76 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 2.21 2.26 0.00 109 L 8.39 4.98 0.00 1.52 1.58 0.94 1.03 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 0.00 110 K 8.66 4.24 0.00 1.63 1.73 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.43 7.81 111 G 8.67 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 0.00 0.00 0.00 112 P 0.00 4.90 0.00 2.26 2.17 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.11 0.00 113 I 8.26 4.74 1.90 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 1.12 0.57 0.91 0.00 0.00 114 A 8.29 4.73 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 0.00 115 R 8.95 3.95 0.00 2.08 2.26 0.00 3.00 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 116 E 8.23 4.08 0.00 2.13 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 2.50 2.50 0.00 117 V 7.85 3.79 2.21 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 0.97 0.00 0.00 1.02 0.00 0.00 118 A 7.66 4.02 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 0.00 119 Q 8.20 4.04 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 120 R 7.26 4.18 0.00 1.93 0.86 0.00 3.19 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.56 0.00 121 F 8.40 4.73 0.00 3.04 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 0.00 122 G 8.33 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 0.00 0.00 0.00 123 S 8.12 4.34 0.00 4.08 4.18 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 0.00 124 V 7.87 3.57 2.30 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 0.99 0.00 0.00 0.96 0.00 0.00 125 A 8.19 4.06 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.66 4.46 0.00 4.03 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 0.00 127 A 7.69 4.60 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 0.00 128 A 8.62 4.19 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 0.00 129 T 8.72 4.05 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 0.00 130 M 7.86 4.91 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 131 I 8.40 4.78 1.90 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 1.26 0.63 0.95 0.00 0.00 132 V 8.89 4.05 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 0.67 0.00 0.00 0.98 0.00 0.00