NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 R 5.1696 7.6774 120.3445 56.3450 32.2178 177.3459 -1 G 3.9856 8.3562 105.0523 44.2332 0.0000 174.1719 0 S 4.3527 9.0212 116.5858 61.5446 63.3578 174.2972 1 M 4.0351 8.1444 120.5538 58.5716 32.0689 178.0386 2 A 4.2941 7.9928 121.6267 54.6352 18.2424 178.9101 3 L 3.6624 7.5894 117.5039 58.5534 41.9470 179.5146 4 K 4.0824 8.4494 118.4772 59.0401 31.9446 179.5138 5 R 3.8705 7.9111 119.1620 59.6443 30.0036 178.4462 6 I 3.2007 8.0644 119.9061 64.3663 36.6869 177.1740 7 H 4.5252 7.8302 116.3253 57.1847 29.8461 176.8976 8 K 4.7162 7.5563 123.0351 59.2526 32.1328 178.2158 9 E 4.4871 8.3432 120.9789 58.3940 29.5477 178.5095 10 L 4.3451 7.8285 121.2479 57.9616 42.2173 178.4171 11 N 4.5010 8.0144 116.5160 55.3753 37.1231 177.1749 12 D 4.3632 7.8870 121.5460 57.2935 40.4467 178.4944 13 L 4.0457 8.1843 119.3226 57.7106 41.3632 179.5244 14 A 4.0394 7.7890 119.9724 54.9760 18.5264 179.0949 15 R 4.1634 7.7919 114.4266 57.3030 31.6486 176.1293 16 D 4.6540 7.5751 116.2225 52.1031 41.3384 172.6968 17 P 4.3764 0.0000 0.0000 61.1460 32.0578 174.9689 18 P 4.3149 0.0000 0.0000 61.9555 31.8938 175.8087 19 A 3.9613 8.6431 126.4543 53.4381 18.7562 176.6249 20 Q 3.6483 9.0355 119.0691 56.9238 27.5583 172.3351 21 C 5.2039 7.9022 114.3106 58.7534 32.0243 173.4906 22 S 4.8799 8.7860 117.1149 56.6876 65.6918 172.5506 23 A 5.4154 7.3756 122.9168 52.3315 21.9340 175.6442 24 G 2.7908 7.7388 108.2775 44.2088 0.0000 170.6022 25 P 4.5387 0.0000 0.0000 62.6715 32.0581 176.9105 26 V 3.8017 8.4780 123.8210 62.8495 30.7851 176.7033 27 G 3.9307 8.6629 119.1514 45.9946 0.0000 172.4768 28 D 4.6113 8.5532 121.3042 54.3297 41.3935 175.6065 29 D 4.7372 7.8907 120.6346 53.4090 41.6850 176.3278 30 M 4.4961 8.9446 126.1086 57.4076 32.7804 176.3636 31 F 4.4456 9.3883 116.6788 58.3840 39.7699 174.1260 32 H 5.3697 8.4302 121.0196 54.4675 31.8425 172.6658 33 W 5.4837 9.6511 126.3017 54.9379 32.7842 174.9446 34 Q 5.1300 9.4089 118.9483 54.5413 31.4515 174.2035 35 A 5.1790 9.0473 122.6253 50.7155 23.1182 174.7838 36 T 4.9421 9.1333 117.9272 61.6511 72.0612 173.0427 37 I 4.7322 9.0147 126.5782 59.3784 40.8546 174.0515 38 M 4.8664 8.5591 129.9999 54.5220 32.6469 176.7561 39 G 3.8868 9.2539 111.5281 45.5529 0.0000 171.2401 40 P 4.4748 0.0000 0.0000 62.9582 32.0037 177.1704 41 N 4.4283 8.9516 119.2319 55.7766 38.7989 175.3815 42 D 5.0697 7.9720 117.6525 54.0229 41.8350 175.4402 43 S 4.8837 7.6965 112.5641 55.4307 66.4108 173.0262 44 P 4.3296 0.0000 0.0000 64.8200 31.1974 176.9275 45 Y 4.9757 7.3834 114.8271 57.0066 38.2643 175.1705 46 Q 4.5952 7.2959 121.7441 57.2037 29.5485 175.4697 47 G 4.1549 9.2563 112.3567 45.3030 0.0000 174.0110 48 G 4.0587 8.1894 106.5238 45.5389 0.0000 173.2954 49 V 4.9268 7.9909 121.2822 59.5542 33.5506 174.9029 50 F 4.7951 9.4191 124.3698 55.5181 41.9170 174.5030 51 F 5.4518 8.9199 121.9896 56.3069 41.4396 174.9540 52 L 5.1562 8.9265 120.6550 53.4954 46.4159 175.3372 53 T 5.1155 8.9567 118.9430 61.9956 71.4306 173.5606 54 I 4.9397 8.6836 125.6521 59.7643 41.0747 174.1893 55 H 5.2493 8.9268 123.6322 53.7942 31.7032 172.9995 56 F 4.3559 9.1042 124.1149 56.1026 39.4818 174.4616 57 P 4.5069 0.0000 0.0000 63.2052 32.0327 176.8961 58 T 4.4587 8.5529 114.5604 64.5327 68.1579 175.1147 59 D 5.0577 8.0596 118.5232 53.9294 42.7066 174.1030 60 Y 4.5366 8.2784 119.2376 57.6500 39.3519 174.6368 61 P 4.0640 0.0000 0.0000 62.6004 31.4957 176.8820 62 F 4.6676 7.9820 116.5997 58.7126 39.2454 175.8754 63 K 4.7093 7.8204 119.7301 53.5770 35.5941 174.3448 64 P 2.9700 0.0000 0.0000 60.9175 31.9550 174.1985 65 P 4.2553 0.0000 0.0000 62.4339 32.7244 175.8655 66 K 4.2272 8.7042 121.1955 55.4917 32.9968 175.8881 67 V 4.8610 8.1565 124.9701 60.9617 33.8664 174.5583 68 A 4.9081 8.5835 127.7840 50.5082 23.2228 175.1549 69 F 4.5579 9.2953 120.4158 58.0112 39.5735 176.6189 70 T 4.3963 9.5708 120.8849 65.1820 69.7224 175.5435 71 T 4.6049 8.2417 117.0468 62.2388 69.8461 175.2440 72 R 4.0974 8.5408 125.5871 56.4202 30.8547 175.5135 73 I 4.8443 8.0378 122.6091 60.0972 40.8504 173.7828 74 Y 3.9309 8.8108 128.2817 56.8627 37.4543 173.8820 75 H 4.8014 7.9437 125.2181 54.3255 33.0634 172.7407 76 P 4.1718 0.0000 0.0000 65.0989 31.5346 177.2001 77 N 4.9796 8.1536 115.5196 52.4854 38.9144 173.9749 78 I 5.4086 7.5995 118.5139 59.8346 40.6510 175.0200 79 N 4.7985 8.5670 123.7663 51.1442 39.0628 175.9051 80 S 4.1040 8.5818 112.2008 61.5571 62.8114 174.9967 81 N 4.4939 8.2271 115.5365 53.4674 38.6023 175.8656 82 G 4.3330 8.5237 107.5586 46.2024 0.0000 174.0121 83 S 4.4148 8.3327 116.7214 58.9629 63.4088 173.0940 84 I 4.8324 8.1603 124.1804 59.8024 39.4445 175.3300 85 C 4.4137 9.1671 129.0137 58.1932 31.0919 171.8228 86 L 4.5678 8.0130 126.6793 52.3896 44.4033 176.1953 87 D 4.3959 9.0429 127.4623 57.1476 40.5685 178.3707 88 I 4.2975 7.6915 119.2626 62.7736 38.0851 176.5505 89 L 4.5517 7.7826 118.2790 53.0090 41.7828 175.9995 90 R 4.7379 7.9869 118.9199 57.0253 33.0395 176.1069 91 S 4.3677 9.5701 113.5577 61.7785 63.6300 175.2750 92 Q 4.5926 8.5902 118.9971 55.9174 28.6237 175.3309 93 W 4.6974 7.8001 127.4516 56.9312 31.7584 175.4188 94 S 4.1624 6.0693 117.2048 55.7132 64.8544 173.1041 95 P 4.4614 0.0000 0.0000 64.2297 31.1552 177.3290 96 A 3.9741 7.0463 119.9006 53.2677 18.6003 177.6549 97 L 4.2482 6.8244 116.0795 54.0415 42.8981 176.2409 98 T 4.9347 7.8947 110.2473 59.4720 73.4100 174.5214 99 I 3.9280 8.3669 119.4346 63.3931 37.9084 177.7518 100 S 4.1786 7.9191 114.4653 61.6921 62.9505 176.7251 101 K 4.0421 7.8880 122.9055 58.7600 31.7199 179.5914 102 V 3.7648 7.7917 118.4925 65.7235 31.2991 178.0638 103 L 3.9114 8.0358 118.8010 57.8322 41.4893 179.1308 104 L 3.9610 7.8658 118.7964 58.2849 41.8022 179.8227 105 S 4.1596 8.5267 114.2519 60.5922 62.2103 176.2131 106 I 3.9615 7.6560 122.6234 64.1107 37.0454 177.8646 107 C 4.0910 8.3389 118.1576 62.9338 27.6328 176.4508 108 S 4.2136 8.3540 115.7498 61.1309 62.3187 176.2562 109 L 4.0683 7.2356 122.2502 57.8574 41.8454 178.5379 110 L 4.0262 7.5575 118.5228 57.7263 41.5469 178.7799 111 C 4.6797 7.7464 115.6938 61.1493 28.9130 173.2760 112 D 4.6233 8.2403 119.5918 51.4325 41.3641 172.8877 113 P 4.5037 0.0000 0.0000 62.3505 32.5119 177.2595 114 N 4.7298 8.9826 118.4943 50.6156 37.3159 174.0977 115 P 4.3330 0.0000 0.0000 64.3529 31.8811 178.3035 116 D 4.5111 8.0228 119.2359 56.4173 41.0840 175.9914 117 D 4.8577 7.5940 118.9035 50.2980 38.8097 172.7201 118 P 4.4766 0.0000 0.0000 63.3121 32.4028 177.1558 119 L 4.1926 9.1038 124.2070 56.1048 42.8007 177.0536 120 V 4.2255 7.2150 116.4609 59.3005 33.0758 173.2473 121 P 4.2058 0.0000 0.0000 65.7669 31.3761 177.7899 122 E 3.9423 8.1663 117.0896 59.4640 29.5272 178.7514 123 I 3.7118 7.6454 119.0807 63.9181 37.2633 178.0713 124 A 4.0326 7.7618 121.5644 55.1216 18.1136 179.2686 125 R 3.8917 8.2440 117.9065 59.4276 30.1486 178.5735 126 I 3.7426 8.1688 113.0101 64.2407 37.1248 177.5302 127 Y 4.0122 7.8196 120.1090 60.7651 38.7587 178.0082 128 K 4.0047 8.0375 117.8700 58.6916 32.2687 178.5575 129 T 4.4317 7.8031 107.7089 61.6557 71.2711 174.7638 130 D 4.6907 8.1636 119.8823 52.2229 43.1244 175.6901 131 R 3.9342 7.8033 122.4170 59.5450 30.3974 178.5719 132 E 4.1163 8.1005 117.5856 58.8451 29.4529 178.9912 133 K 3.9889 8.0966 120.1865 59.1663 31.8956 178.1642 134 Y 4.0016 7.9331 119.4577 60.9523 38.7336 177.8285 135 N 4.5140 8.8343 117.7555 56.1941 38.5939 177.5544 136 R 3.8556 7.6544 119.4864 59.5314 30.1877 179.2400 137 I 3.4483 7.5025 119.1401 64.0588 36.9021 178.3828 138 A 3.7866 7.8180 122.0076 55.2101 17.9929 179.9486 139 R 4.7295 8.1082 118.0943 58.5451 30.1036 178.9404 140 E 3.9818 8.0623 119.4750 59.1234 29.7016 178.8978 141 W 4.4604 8.7209 119.5021 60.0130 28.9863 178.4069 142 T 4.1550 8.1004 115.5700 67.0732 67.7346 176.2651 143 Q 3.9800 7.6382 120.1506 59.0517 29.1692 177.9117 144 K 3.8699 7.8140 118.6269 58.4742 32.1081 177.9723 145 Y 4.7246 8.3408 115.0367 57.9050 39.8922 176.8810 146 A 4.3285 8.0237 119.4928 51.8504 19.3046 176.5463 147 M 4.0989 7.8373 122.8942 55.5975 32.3511 176.0151 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 -2 R 7.68 5.17 0.00 2.10 2.26 0.00 3.34 0.00 0.00 4.01 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 -1 G 8.36 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 0 S 9.02 4.35 0.00 3.92 3.96 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 1 M 8.14 4.04 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.71 0.00 2 A 7.99 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.59 3.66 0.00 2.02 1.92 1.01 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.45 4.08 0.00 1.87 1.85 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.64 1.60 7.81 5 R 7.91 3.87 0.00 1.90 2.14 0.00 3.11 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.76 0.00 6 I 8.06 3.20 1.32 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.44 -0.24 0.00 0.00 7 H 7.83 4.53 0.00 3.39 3.29 0.00 5.77 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.56 4.72 0.00 1.91 1.98 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.62 1.30 7.81 9 E 8.34 4.49 0.00 2.08 1.95 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 2.36 2.41 0.00 10 L 7.83 4.35 0.00 2.19 1.62 0.71 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.01 4.50 0.00 2.96 3.05 0.00 0.00 6.97 7.79 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 12 D 7.89 4.36 0.00 3.06 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 13 L 8.18 4.05 0.00 2.06 1.79 1.19 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.79 4.04 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 15 R 7.79 4.16 0.00 1.86 1.97 0.00 3.23 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 16 D 7.58 4.65 0.00 2.62 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 17 P 0.00 4.38 0.00 2.08 2.05 0.00 3.79 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 2.04 2.29 0.00 18 P 0.00 4.31 0.00 2.24 2.22 0.00 3.73 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.01 0.00 19 A 8.64 3.96 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 20 Q 9.04 3.65 0.00 2.43 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 21 C 7.90 5.20 0.00 2.79 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 22 S 8.79 4.88 0.00 3.87 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 23 A 7.38 5.42 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 24 G 7.74 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 0.00 0.00 0.00 25 P 0.00 4.54 0.00 2.00 2.00 0.00 2.97 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 26 V 8.48 3.80 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 0.65 0.00 0.00 0.81 0.00 0.00 27 G 8.66 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 28 D 8.55 4.61 0.00 2.68 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 29 D 7.89 4.74 0.00 2.77 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 30 M 8.94 4.50 0.00 2.05 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 2.65 2.70 0.00 31 F 9.39 4.45 0.00 3.32 3.21 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 0.00 32 H 8.43 5.37 0.00 3.31 3.25 0.00 5.56 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 W 9.65 5.48 0.00 3.20 3.12 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 34 Q 9.41 5.13 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 35 A 9.05 5.18 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 36 T 9.13 4.94 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 1.09 0.00 0.00 37 I 9.01 4.73 1.83 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 1.21 1.17 1.04 0.00 0.00 38 M 8.56 4.87 0.00 1.97 2.23 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.52 0.00 39 G 9.25 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 40 P 0.00 4.47 0.00 2.29 2.08 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 41 N 8.95 4.43 0.00 2.75 2.92 0.00 0.00 6.84 8.06 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 42 D 7.97 5.07 0.00 2.66 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 43 S 7.70 4.88 0.00 4.08 4.04 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 44 P 0.00 4.33 0.00 1.88 2.22 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.94 0.00 45 Y 7.38 4.98 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 46 Q 7.30 4.60 0.00 2.37 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.46 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 47 G 9.26 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 0.00 0.00 0.00 48 G 8.19 4.06 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 0.00 49 V 7.99 4.93 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 0.46 0.00 0.00 0.66 0.00 0.00 50 F 9.42 4.80 0.00 3.13 3.50 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 51 F 8.92 5.45 0.00 3.06 2.93 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 52 L 8.93 5.16 0.00 1.41 1.35 0.43 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.96 5.12 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 1.40 0.00 0.00 54 I 8.68 4.94 1.86 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 1.05 0.60 0.11 0.00 0.00 55 H 8.93 5.25 0.00 2.99 3.16 0.00 5.81 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 9.10 4.36 0.00 2.62 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.51 0.00 2.32 2.19 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.24 0.00 58 T 8.55 4.46 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 1.26 0.00 0.00 59 D 8.06 5.06 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 60 Y 8.28 4.54 0.00 3.36 2.86 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 61 P 0.00 4.06 0.00 1.84 1.12 0.00 3.22 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.44 0.00 62 F 7.98 4.67 0.00 3.54 3.24 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 63 K 7.82 4.71 0.00 1.78 1.63 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.53 7.81 64 P 0.00 2.97 0.00 1.47 0.61 0.00 3.50 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 65 P 0.00 4.26 0.00 1.37 1.12 0.00 2.86 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 66 K 8.70 4.23 0.00 1.57 1.72 0.00 1.55 0.00 0.00 1.48 0.00 0.00 2.70 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.45 7.81 67 V 8.16 4.86 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 0.67 0.00 0.00 0.74 0.00 0.00 68 A 8.58 4.91 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 69 F 9.30 4.56 0.00 3.21 3.01 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 70 T 9.57 4.40 4.48 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 0.00 0.00 0.00 1.31 0.00 0.00 71 T 8.24 4.60 4.63 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 1.22 0.00 0.00 72 R 8.54 4.10 0.00 1.38 1.22 0.00 2.21 0.00 0.00 2.61 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.38 0.00 73 I 8.04 4.84 1.98 0.00 0.00 -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 1.20 0.99 0.36 0.00 0.00 74 Y 8.81 3.93 0.00 1.96 2.55 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 0.00 0.00 0.00 0.00 75 H 7.94 4.80 0.00 3.05 2.88 0.00 5.77 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.17 0.00 2.06 2.21 0.00 3.28 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 1.61 1.47 0.00 77 N 8.15 4.98 0.00 2.88 2.82 0.00 0.00 6.93 7.56 0.00 0.00 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 I 7.60 5.41 1.69 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 -0.08 0.82 0.00 0.00 79 N 8.57 4.80 0.00 2.96 2.97 0.00 0.00 5.96 7.64 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 80 S 8.58 4.10 0.00 4.00 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 81 N 8.23 4.49 0.00 2.89 2.92 0.00 0.00 7.00 7.65 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 82 G 8.52 4.33 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 0.00 83 S 8.33 4.41 0.00 3.98 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 84 I 8.16 4.83 1.90 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 1.48 0.87 0.96 0.00 0.00 85 C 9.17 4.41 0.00 2.93 2.86 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 86 L 8.01 4.57 0.00 1.76 1.47 0.93 1.30 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 87 D 9.04 4.40 0.00 2.82 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 88 I 7.69 4.30 1.93 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 1.72 1.49 1.00 0.00 0.00 89 L 7.78 4.55 0.00 1.87 1.63 0.89 0.97 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 90 R 7.99 4.74 0.00 1.72 1.57 0.00 3.25 0.00 0.00 3.24 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 91 S 9.57 4.37 0.00 4.13 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 92 Q 8.59 4.59 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 93 W 7.80 4.70 0.00 3.54 3.09 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 94 S 6.07 4.16 0.00 3.54 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 95 P 0.00 4.46 0.00 1.80 1.60 0.00 3.55 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 96 A 7.05 3.97 1.08 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 97 L 6.82 4.25 0.00 0.79 1.46 0.64 0.46 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 98 T 7.89 4.93 4.33 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 1.22 0.00 0.00 99 I 8.37 3.93 1.87 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.21 1.05 0.00 0.00 100 S 7.92 4.18 0.00 4.18 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 0.00 101 K 7.89 4.04 0.00 1.94 1.92 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.46 7.81 102 V 7.79 3.76 2.26 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 1.02 0.00 0.00 1.18 0.00 0.00 103 L 8.04 3.91 0.00 1.99 1.71 0.99 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.87 3.96 0.00 1.91 1.75 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.53 4.16 0.00 3.99 4.04 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 0.00 106 I 7.66 3.96 1.97 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 1.53 0.65 0.92 0.00 0.00 107 C 8.34 4.09 0.00 3.10 2.98 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 0.00 0.00 0.00 108 S 8.35 4.21 0.00 4.05 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 7.24 4.07 0.00 1.87 1.89 1.03 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.56 4.03 0.00 1.75 1.52 -0.25 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 111 C 7.75 4.68 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 0.00 112 D 8.24 4.62 0.00 2.56 2.53 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 0.00 0.00 0.00 0.00 113 P 0.00 4.50 0.00 1.55 1.65 0.00 3.78 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 0.84 1.38 0.00 114 N 8.98 4.73 0.00 2.65 2.74 0.00 0.00 7.12 8.06 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 0.00 115 P 0.00 4.33 0.00 2.28 2.19 0.00 3.74 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.39 0.00 116 D 8.02 4.51 0.00 2.68 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 0.00 117 D 7.59 4.86 0.00 2.74 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 0.00 118 P 0.00 4.48 0.00 2.17 2.05 0.00 3.78 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 1.97 1.94 0.00 119 L 9.10 4.19 0.00 1.50 1.81 0.92 0.93 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 0.00 120 V 7.21 4.23 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 1.00 0.00 0.00 0.94 0.00 0.00 121 P 0.00 4.21 0.00 2.19 2.11 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 122 E 8.17 3.94 0.00 2.10 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 0.00 2.43 2.52 0.00 123 I 7.65 3.71 1.69 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.80 0.10 0.00 0.00 124 A 7.76 4.03 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 0.00 125 R 8.24 3.89 0.00 1.92 2.08 0.00 3.14 0.00 0.00 3.25 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 126 I 8.17 3.74 2.00 0.00 0.00 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 1.73 1.00 1.06 0.00 0.00 127 Y 7.82 4.01 0.00 3.04 3.24 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 0.00 128 K 8.04 4.00 0.00 1.97 1.86 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.79 7.81 129 T 7.80 4.43 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 0.00 130 D 8.16 4.69 0.00 2.72 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.80 3.93 0.00 1.68 1.82 0.00 2.67 0.00 0.00 3.00 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.20 0.00 132 E 8.10 4.12 0.00 1.99 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 2.38 2.33 0.00 133 K 8.10 3.99 0.00 2.01 2.11 0.00 1.49 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.49 7.81 134 Y 7.93 4.00 0.00 3.16 3.12 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 0.00 135 N 8.83 4.51 0.00 2.91 2.86 0.00 0.00 7.10 7.26 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 0.00 136 R 7.65 3.86 0.00 1.93 1.91 0.00 3.09 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.95 0.00 137 I 7.50 3.45 0.83 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.60 -0.36 0.00 0.00 138 A 7.82 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.11 4.73 0.00 2.01 1.97 0.00 3.11 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 1.75 1.63 0.00 140 E 8.06 3.98 0.00 2.12 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 2.42 2.37 0.00 141 W 8.72 4.46 0.00 3.49 3.62 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 0.00 0.00 0.00 142 T 8.10 4.16 4.59 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 1.43 0.00 0.00 143 Q 7.64 3.98 0.00 2.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.01 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 144 K 7.81 3.87 0.00 0.93 0.77 0.00 1.48 0.00 0.00 1.73 0.00 0.00 3.18 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.17 1.27 7.81 145 Y 8.34 4.72 0.00 3.05 2.95 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 0.00 146 A 8.02 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 M 7.84 4.10 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.61 0.00