NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4655 8.3193 115.2871 57.8369 64.0996 173.6620 2 D 4.6748 7.9783 115.6176 52.7156 40.8711 174.3492 3 K 4.2629 8.8668 119.4267 57.9299 34.7790 177.0355 4 I 3.8132 7.7347 119.8422 61.7659 37.7408 176.4726 5 I 3.7808 8.9130 130.0326 61.5852 37.4297 175.6516 6 H 5.2080 8.7646 126.2000 54.6095 26.5003 175.0986 7 L 4.4170 7.9171 122.2559 55.2005 42.8298 176.4077 8 T 4.6671 8.1013 105.4921 60.7772 71.6614 173.8108 9 D 4.5495 8.9049 125.8240 58.1473 40.4606 178.1626 10 D 4.4080 7.7527 117.5824 57.9170 41.6230 178.1598 11 S 4.8383 7.8587 114.3772 57.7092 60.5066 171.9487 12 F 4.7122 7.2812 124.6343 59.9092 43.0055 176.1879 13 D 3.8426 8.2841 119.5144 57.5448 41.6505 178.5598 14 T 4.1218 7.9013 106.8068 62.8969 68.3071 173.8322 15 D 4.6511 8.4113 121.0504 56.0649 43.9448 178.3810 16 V 3.3415 6.9797 119.0766 65.7161 32.1182 177.7789 17 L 4.0564 7.1612 119.4316 56.7285 41.9864 178.9026 18 K 3.8590 7.9241 116.8457 58.6722 33.3006 176.9915 19 A 3.8751 7.2345 122.4243 51.5001 18.4265 177.1886 20 D 5.2930 7.8930 122.0325 53.7683 40.0695 176.6333 21 G 3.8548 8.7686 106.4010 44.7282 0.0000 173.5597 22 A 4.5035 8.4462 121.5753 50.8661 19.4900 176.0841 23 I 4.8660 8.2998 122.5014 59.8462 40.7392 174.0708 24 L 4.8175 9.6087 133.4449 54.5283 43.5775 175.2004 25 V 4.7430 9.1783 126.6756 61.2513 34.1138 173.6862 26 D 5.0153 9.3194 128.8896 52.6125 42.1952 174.7955 27 F 5.0539 9.0763 126.1752 56.0482 40.3399 175.2452 28 W 5.2549 8.4121 119.8601 55.5359 32.4141 173.2182 29 A 3.7133 8.0281 118.1120 50.4069 21.1598 177.4429 30 E 4.2681 8.6406 121.5289 57.6963 29.5712 177.8157 31 W 4.5725 7.1657 114.8140 56.4190 29.7478 175.5126 32 C 4.5134 7.6338 120.7218 57.6116 30.3222 173.7113 33 G 3.8418 8.5578 113.5870 47.8595 0.0000 171.3828 34 P 4.2755 0.0000 0.0000 65.0589 30.9002 179.0099 35 S 4.2817 8.1427 114.1427 61.3636 61.7974 176.1950 36 K 3.9631 8.1810 119.5025 58.1112 32.5445 177.5710 37 M 3.9144 7.2808 117.3815 56.7658 32.6501 176.8473 38 I 3.9739 7.4364 118.5873 64.1214 37.4801 177.7982 39 A 3.6850 6.8812 121.4861 54.6375 18.5098 177.5127 40 P 4.2453 0.0000 0.0000 66.0012 30.6599 178.7983 41 I 3.6988 7.7205 117.8302 64.5721 37.0015 178.3741 42 L 4.2167 7.8884 119.6996 57.4505 41.2378 179.3153 43 D 4.3487 7.9569 119.0770 57.4015 40.5873 178.7823 44 E 4.5251 7.2843 114.5657 57.0124 29.4046 177.6207 45 I 4.4015 7.8968 121.8900 62.4402 39.8159 177.9595 46 A 4.0807 8.0192 122.3559 54.9676 18.6405 178.4493 47 D 4.5626 8.1727 115.2687 57.2347 41.3687 178.2580 48 E 4.3479 8.1611 114.6357 58.1461 29.5586 177.0387 49 Y 4.5645 8.1223 114.5757 57.5191 40.3791 174.9707 50 Q 4.0740 7.9121 122.6299 57.0793 29.5809 178.6126 51 G 3.7826 8.7622 110.6381 46.1287 0.0000 174.7519 52 K 4.4882 8.2032 116.6298 55.5377 32.9321 175.4178 53 L 4.7200 6.9643 117.8823 55.3167 44.6383 173.1673 54 T 4.7300 8.3482 121.3128 61.7152 72.1037 172.9606 55 V 4.9209 8.3700 124.5975 61.0980 34.3128 174.0495 56 A 4.9883 9.1400 129.1584 50.2349 22.5476 174.8665 57 K 4.4812 8.7418 123.3640 55.3602 33.0118 175.8437 58 L 4.6179 8.2646 130.4708 52.8007 40.6598 174.8731 59 N 3.8370 8.4957 120.9992 53.3566 39.6467 173.8944 60 I 4.7435 7.3887 115.3719 59.6640 38.3635 175.9361 61 D 4.8098 8.2490 124.3408 57.3576 40.8556 177.9418 62 Q 4.7234 7.6037 114.6436 55.1438 29.4980 176.2090 63 N 5.0117 7.5858 111.4264 53.7646 40.4345 173.4861 64 P 4.5109 0.0000 0.0000 64.0910 32.8184 179.4020 65 G 3.9051 8.5031 108.2485 48.4385 0.0000 174.6661 66 T 4.1786 7.9372 115.4813 65.7952 69.6146 176.6323 67 A 3.6802 7.5939 124.8320 54.9867 18.6128 177.4880 68 P 4.2284 0.0000 0.0000 66.4392 31.5362 179.3999 69 K 3.8086 7.1278 114.5395 59.0985 31.8839 176.9040 70 Y 4.4498 7.9244 112.8249 57.1616 38.6899 175.4171 71 G 3.6075 8.7996 108.4162 46.6559 0.0000 175.2103 72 I 4.0975 7.5864 121.0961 59.9119 36.8901 177.1274 73 R 4.6331 8.2564 129.7588 53.9643 30.3487 177.3232 74 G 4.4604 6.8853 109.8775 45.4756 0.0000 172.1506 75 I 4.7908 8.0389 116.3348 57.8740 40.9150 173.1602 76 P 4.8882 0.0000 0.0000 62.4873 33.1953 175.0887 77 T 4.9666 8.4122 116.9534 62.0414 72.6889 172.4612 78 L 5.1414 8.7728 126.9367 53.1383 44.1298 175.3418 79 L 4.7771 8.8888 124.4606 53.0359 44.1621 175.7255 80 L 4.7412 8.7509 127.8096 53.8462 41.5252 176.0038 81 F 5.2257 8.8079 124.5688 56.0248 40.7334 175.6002 82 K 4.6499 8.4933 114.5043 56.2909 34.2443 175.5827 83 N 4.6000 7.5712 118.6489 55.0345 35.1461 175.2174 84 G 4.2605 8.0182 110.8301 45.5935 0.0000 171.5865 85 E 4.5247 8.3046 119.5501 54.4409 31.9662 173.8409 86 V 3.5916 8.5661 127.1036 62.6682 31.7249 175.1323 87 A 4.4317 8.9467 130.3481 54.3228 19.7669 176.2327 88 A 4.7051 7.6697 115.1024 52.0801 23.0279 175.1409 89 T 4.9871 8.3508 107.1768 60.9028 71.6480 173.5912 90 K 4.1409 9.2728 126.0606 54.5936 34.6937 174.5720 91 V 4.2956 8.0571 128.1011 62.4530 32.3601 175.1971 92 G 3.8558 8.7858 114.4100 44.0758 0.0000 172.9073 93 A 4.2784 8.2372 122.9171 51.1336 19.4280 176.4786 94 L 4.3973 7.4648 118.8381 54.6455 41.9580 174.5021 95 S 4.5164 7.6410 115.5860 57.0901 65.8999 174.9479 96 K 3.9759 8.4679 121.3620 59.7294 31.9088 178.6240 97 G 3.6635 8.0918 105.4556 47.9338 0.0000 175.0171 98 Q 3.9816 7.7228 119.2626 58.9685 28.7303 178.8908 99 L 3.9545 8.0095 120.7579 58.3403 42.1386 179.3859 100 K 3.8640 8.2524 118.3657 59.3709 31.6944 178.9521 101 E 4.2715 8.8816 119.7099 58.5806 29.3033 178.4111 102 F 4.3270 7.8223 120.3572 60.7336 39.7906 177.5210 103 L 3.8786 8.2420 118.8201 57.6808 41.0920 179.3444 104 D 4.3251 8.5847 118.1225 57.4986 41.0607 178.2142 105 A 4.0587 7.3459 119.4462 55.5706 18.2669 177.6568 106 N 4.2761 7.7533 113.6945 52.3885 39.0680 175.0634 107 L 3.9089 6.6397 123.9096 54.8195 43.5857 177.7184 108 A 4.1971 8.1747 122.3631 52.6393 19.2248 176.1918 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 S 8.32 4.47 0.00 3.82 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 2 D 7.98 4.67 0.00 2.83 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 3 K 8.87 4.26 0.00 1.74 1.87 0.00 1.77 0.00 0.00 1.90 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.42 7.81 4 I 7.73 3.81 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.81 0.79 0.00 0.00 5 I 8.91 3.78 1.86 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 1.43 0.80 0.92 0.00 0.00 6 H 8.76 5.21 0.00 3.02 3.35 0.00 5.91 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.92 4.42 0.00 1.70 1.79 1.07 0.76 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 8 T 8.10 4.67 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 1.25 0.00 0.00 9 D 8.90 4.55 0.00 2.86 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 10 D 7.75 4.41 0.00 2.68 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 11 S 7.86 4.84 0.00 4.04 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 12 F 7.28 4.71 0.00 3.21 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 13 D 8.28 3.84 0.00 2.80 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 14 T 7.90 4.12 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 1.21 0.00 0.00 15 D 8.41 4.65 0.00 2.53 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 16 V 6.98 3.34 0.67 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 0.10 0.00 0.00 0.52 0.00 0.00 17 L 7.16 4.06 0.00 1.95 1.59 0.33 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.92 3.86 0.00 1.82 1.87 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.30 7.81 19 A 7.23 3.88 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 20 D 7.89 5.29 0.00 2.79 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 21 G 8.77 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 22 A 8.45 4.50 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 23 I 8.30 4.87 1.87 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 1.25 1.63 0.90 0.00 0.00 24 L 9.61 4.82 0.00 1.75 1.65 1.03 0.65 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 25 V 9.18 4.74 2.32 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 0.59 0.00 0.00 1.33 0.00 0.00 26 D 9.32 5.02 0.00 2.74 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 27 F 9.08 5.05 0.00 3.18 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 28 W 8.41 5.25 0.00 3.38 3.10 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 29 A 8.03 3.71 -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 30 E 8.64 4.27 0.00 2.09 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 2.22 2.44 0.00 31 W 7.17 4.57 0.00 3.32 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 32 C 7.63 4.51 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 33 G 8.56 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 34 P 0.00 4.28 0.00 2.19 2.16 0.00 3.65 0.00 0.00 3.80 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 35 S 8.14 4.28 0.00 4.33 4.15 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 36 K 8.18 3.96 0.00 1.89 2.14 0.00 1.35 0.00 0.00 1.60 0.00 0.00 3.08 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.73 1.48 7.81 37 M 7.28 3.91 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 38 I 7.44 3.97 1.95 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 1.39 0.58 0.81 0.00 0.00 39 A 6.88 3.69 1.06 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 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.25 0.00 2.11 2.06 0.00 3.61 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 41 I 7.72 3.70 1.91 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.80 0.86 0.00 0.00 42 L 7.89 4.22 0.00 1.76 1.63 0.79 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 43 D 7.96 4.35 0.00 2.92 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 44 E 7.28 4.53 0.00 2.13 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 0.00 2.34 2.51 0.00 45 I 7.90 4.40 1.93 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 1.48 0.95 0.72 0.00 0.00 46 A 8.02 4.08 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 47 D 8.17 4.56 0.00 2.82 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 48 E 8.16 4.35 0.00 2.29 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 2.36 2.42 0.00 49 Y 8.12 4.56 0.00 3.14 2.92 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 50 Q 7.91 4.07 0.00 2.34 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.87 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 51 G 8.76 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 52 K 8.20 4.49 0.00 1.81 1.86 0.00 1.34 0.00 0.00 1.52 0.00 0.00 2.68 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.61 1.42 7.81 53 L 6.96 4.72 0.00 1.72 1.85 1.06 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.35 4.73 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 1.20 0.00 0.00 55 V 8.37 4.92 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 0.97 0.00 0.00 0.91 0.00 0.00 56 A 9.14 4.99 1.18 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 0.00 0.00 57 K 8.74 4.48 0.00 1.56 1.77 0.00 1.34 0.00 0.00 1.20 0.00 0.00 2.18 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.19 7.81 58 L 8.26 4.62 0.00 1.57 0.88 0.91 -0.16 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 59 N 8.50 3.84 0.00 2.48 2.59 0.00 0.00 7.08 7.94 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 60 I 7.39 4.74 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.75 1.07 0.00 0.00 61 D 8.25 4.81 0.00 2.56 2.81 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 62 Q 7.60 4.72 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.26 0.00 0.00 0.00 0.00 0.00 2.15 2.32 0.00 63 N 7.59 5.01 0.00 2.97 2.92 0.00 0.00 6.71 8.03 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 64 P 0.00 4.51 0.00 2.23 2.34 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 65 G 8.50 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 66 T 7.94 4.18 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 0.79 0.00 0.00 67 A 7.59 3.68 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 68 P 0.00 4.23 0.00 2.17 2.12 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 69 K 7.13 3.81 0.00 1.48 1.43 0.00 1.63 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.63 7.81 70 Y 7.92 4.45 0.00 2.86 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 71 G 8.80 3.61 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 0.00 0.00 0.00 72 I 7.59 4.10 1.60 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.56 0.73 0.00 0.00 73 R 8.26 4.63 0.00 1.74 1.89 0.00 3.36 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 74 G 6.89 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 4.79 1.91 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.83 1.01 0.00 0.00 76 P 0.00 4.89 0.00 2.16 2.26 0.00 3.81 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 77 T 8.41 4.97 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 1.16 0.00 0.00 78 L 8.77 5.14 0.00 1.39 1.52 0.78 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.89 4.78 0.00 1.67 1.02 0.91 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.75 4.74 0.00 1.94 1.71 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 81 F 8.81 5.23 0.00 3.30 2.92 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 82 K 8.49 4.65 0.00 1.76 1.76 0.00 1.86 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.47 7.81 83 N 7.57 4.60 0.00 3.04 2.92 0.00 0.00 7.56 7.58 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 84 G 8.02 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 85 E 8.30 4.52 0.00 2.11 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 2.33 2.42 0.00 86 V 8.57 3.59 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 0.75 0.00 0.00 0.80 0.00 0.00 87 A 8.95 4.43 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 88 A 7.67 4.71 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 89 T 8.35 4.99 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 1.15 0.00 0.00 90 K 9.27 4.14 0.00 0.79 1.22 0.00 1.40 0.00 0.00 1.36 0.00 0.00 2.70 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.38 0.51 7.81 91 V 8.06 4.30 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 0.80 0.00 0.00 0.89 0.00 0.00 92 G 8.79 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 93 A 8.24 4.28 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 94 L 7.46 4.40 0.00 1.69 1.59 0.86 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 95 S 7.64 4.52 0.00 4.06 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 96 K 8.47 3.98 0.00 1.83 1.84 0.00 1.90 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.49 7.81 97 G 8.09 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 0.00 0.00 0.00 98 Q 7.72 3.98 0.00 2.41 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 99 L 8.01 3.95 0.00 1.71 1.78 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.25 3.86 0.00 2.02 1.95 0.00 1.77 0.00 0.00 1.64 0.00 0.00 3.15 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.39 1.76 7.81 101 E 8.88 4.27 0.00 2.07 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 0.00 2.36 2.36 0.00 102 F 7.82 4.33 0.00 3.08 3.17 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 0.00 103 L 8.24 3.88 0.00 1.66 1.56 0.35 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.58 4.33 0.00 2.70 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 0.00 105 A 7.35 4.06 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 0.00 106 N 7.75 4.28 0.00 2.34 2.44 0.00 0.00 6.99 9.11 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 0.00 107 L 6.64 3.91 0.00 1.86 1.67 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.17 4.20 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00