NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2354 8.1727 122.0541 56.2517 34.0790 173.8355 2 V 4.6729 8.2091 126.9178 60.6694 33.0786 174.4229 3 F 4.4441 9.5465 127.8695 57.4028 40.2638 175.0718 4 G 3.9700 8.5412 108.4873 45.1481 0.0000 174.6331 5 R 3.4810 8.8956 120.8154 60.0017 29.9617 179.6275 6 C 4.3887 8.1075 115.2587 59.6658 36.3275 175.6137 7 E 3.9142 8.0990 120.7793 59.2130 29.2939 178.5054 8 L 3.4842 8.1605 120.4328 57.7033 42.0677 178.6649 9 A 3.9321 7.9453 120.6102 55.1036 18.2990 179.4468 10 A 3.9213 8.1419 118.9992 55.2028 18.4591 179.7302 11 A 3.9391 7.9076 119.1810 55.7412 18.5343 179.8593 12 M 3.8833 8.2781 117.5857 58.1379 31.8886 179.0409 13 K 3.9261 8.1346 119.9809 59.5544 32.2009 179.0559 14 R 3.9169 7.9126 117.2901 59.4123 30.0458 177.8303 15 H 4.4779 7.8458 113.1196 55.4213 28.8374 175.9091 16 G 3.8557 7.8362 108.9559 46.1859 0.0000 175.0155 17 L 3.7243 7.7379 121.2245 55.7873 41.9240 176.5183 18 D 4.6251 7.9393 118.5096 55.3907 41.3710 174.9066 19 N 4.3858 9.4002 124.1706 54.3370 38.2775 172.6105 20 Y 4.2958 8.3924 118.7675 58.4456 38.9504 176.1596 21 R 3.4453 9.1863 125.9190 57.1523 27.8033 177.2665 22 G 3.7248 8.3199 104.7626 45.4376 0.0000 173.7169 23 Y 4.4542 7.9066 118.9732 55.8822 38.5875 175.6895 24 S 4.6404 8.6209 120.0337 57.9600 64.0935 174.8050 25 L 4.3121 9.1325 124.0178 58.9212 41.5742 179.7764 26 G 3.9556 8.4066 104.7787 48.0717 0.0000 175.1532 27 N 4.5326 8.5104 118.5828 56.1392 38.5595 177.5702 28 W 3.8644 7.9001 119.8659 59.5132 29.1315 178.7221 29 V 3.6412 7.9576 118.3043 66.0193 31.0989 177.2867 30 C 3.2114 8.4106 118.2622 59.2112 43.4340 175.2902 31 A 3.9589 8.1351 122.2563 55.2593 17.9501 179.5009 32 A 3.9990 7.9394 119.1809 54.9748 18.4200 179.6752 33 K 2.4800 7.8001 118.3006 59.0012 31.8460 178.5004 34 F 4.4362 7.2052 114.5870 58.4329 39.2695 177.4760 35 E 4.3734 8.0118 118.4813 58.1072 29.8999 177.2276 36 S 4.5423 7.6951 109.5419 56.6155 64.3661 173.3886 37 N 4.0810 8.2803 117.1083 54.2620 36.9649 173.8521 38 F 4.0950 7.8918 110.6227 57.9938 36.7430 173.9785 39 N 5.1800 7.9534 120.9173 52.3377 39.0067 175.7771 40 T 4.1657 9.0776 117.5459 63.9617 69.7646 175.6183 41 Q 4.7329 8.6773 119.7756 55.4302 29.7619 175.9096 42 A 4.2732 7.8685 123.6001 52.5904 19.5220 177.0658 43 T 4.8912 8.3274 111.5730 60.1212 71.9581 173.0910 44 N 4.9717 8.8539 122.3800 51.3213 42.7718 173.7277 45 R 4.5369 8.6871 124.0379 56.2193 31.3063 175.1208 46 N 5.1528 9.2683 123.0494 51.4472 41.1898 176.2579 47 T 3.8984 8.6210 111.1050 64.5208 68.9416 174.8878 48 D 4.4470 7.9013 119.2562 53.3899 39.9276 176.8233 49 G 3.9703 7.9056 107.9179 45.0886 0.0000 173.7619 50 S 4.7158 8.1312 115.0151 57.4988 65.8873 173.1582 51 T 5.0546 8.8498 116.1516 61.8487 72.5655 172.7807 52 D 5.5076 8.8252 124.0361 52.8859 43.6909 174.9866 53 Y 4.8930 9.0938 120.7729 57.3315 41.5450 177.7060 54 G 4.5889 8.8832 111.5414 45.4545 0.0000 173.3395 55 I 3.6719 8.4948 116.9570 62.8614 37.7354 177.2665 56 L 4.5034 7.9416 116.0253 53.5598 42.5908 176.1284 57 Q 3.4956 8.0504 117.1701 57.0274 26.7390 173.8758 58 I 4.4309 8.1175 118.8473 60.6836 39.6262 176.6813 59 N 5.3821 9.1568 125.1178 53.2683 39.8496 175.8216 60 S 4.5759 8.7064 119.9903 60.5705 63.7119 175.7908 61 R 3.6466 8.8360 122.2175 58.9848 30.1073 178.6007 62 W 4.0086 8.1126 117.6589 57.7613 30.3144 177.6750 63 W 4.9240 8.3779 117.2639 57.8515 30.1676 174.1022 64 C 5.6082 8.3030 112.4963 53.5212 46.5236 172.0927 65 N 5.2681 9.0251 119.2384 52.2427 39.6883 174.7230 66 D 4.5963 8.9404 125.0531 52.2768 40.7346 176.6523 67 G 3.9625 8.2516 107.6024 46.5648 0.0000 174.4957 68 R 4.5949 8.3871 112.2409 55.6621 30.5836 174.6927 69 T 4.4400 7.7229 114.9816 61.3982 70.8037 171.7759 70 P 4.1837 0.0000 0.0000 63.8099 31.8483 177.0790 71 G 3.7468 8.7083 109.1713 45.5260 0.0000 173.5278 72 S 4.0767 7.3803 114.2613 58.9187 62.5407 174.2700 73 R 4.2404 8.5550 125.8031 55.4142 32.2336 175.6724 74 N 4.1847 8.0659 116.0013 54.4970 37.1499 175.1185 75 L 4.1644 8.1817 118.1248 57.6888 42.3020 178.3577 76 C 4.5151 8.4761 114.3824 56.6057 41.1423 172.6731 77 N 4.1403 8.0327 117.8202 53.7709 37.1959 173.0551 78 I 4.5936 8.1501 117.8894 59.0260 42.2343 171.8624 79 P 4.7974 0.0000 0.0000 62.2800 32.0516 178.5146 80 C 4.1606 8.6200 120.0496 59.7502 35.7549 176.6640 81 S 3.7836 7.9169 115.3835 61.2436 62.1822 176.0627 82 A 4.1356 7.7953 123.0206 53.9753 18.2796 178.4303 83 L 4.3856 8.0111 116.7305 54.6114 43.1232 176.5527 84 L 5.1817 7.4706 119.8847 53.4119 40.9477 175.2596 85 S 4.7982 7.3986 112.7682 56.1561 66.2145 173.7984 86 S 4.2381 8.6406 118.0551 59.9525 63.2621 173.5803 87 D 4.6923 7.9810 121.7356 52.9714 40.7379 176.4028 88 I 3.9853 8.2936 120.2694 61.8117 37.6126 177.2423 89 T 3.7147 8.3720 119.2305 67.2909 68.3894 175.7451 90 A 3.9534 7.9255 121.5355 55.4508 18.3951 179.7122 91 S 4.1011 7.9455 113.1139 61.4974 62.9350 177.0025 92 V 3.2643 7.8292 121.1059 66.0433 31.1247 177.8496 93 N 4.1809 8.1672 116.4128 56.4225 38.3260 176.6492 94 C 4.3172 8.2577 119.6875 59.4379 43.3002 175.3084 95 A 4.1156 8.1493 122.6006 55.2412 17.4413 179.7070 96 K 3.7327 7.8131 116.9086 59.4300 31.7979 179.4862 97 K 4.0249 7.3134 117.5605 59.3872 32.1721 178.7109 98 I 2.9216 7.1811 119.2221 64.1974 37.0970 178.6960 99 V 4.0163 7.9835 112.6146 63.5813 31.1987 177.1155 100 S 4.7394 7.5426 114.1423 58.3046 65.0045 174.4318 *103 N 4.4239 8.0043 119.5385 54.4683 39.1176 175.4653 104 G 3.8740 8.2126 111.9911 46.2457 0.0000 171.8637 105 M 4.2208 7.1672 120.0552 55.4356 31.7892 177.6142 106 N 4.6671 7.5681 117.1298 55.9433 39.3199 175.7446 107 A 3.7888 7.8544 120.1929 54.5753 18.6328 177.7203 108 W 4.5248 8.2164 117.2449 55.3229 29.6212 177.4227 109 V 3.7118 8.5601 125.4711 65.0753 30.6973 178.0639 110 A 4.0598 8.5528 121.4944 54.3045 18.0973 179.5115 111 W 3.9116 8.2920 126.4756 60.6498 30.7581 178.0205 112 R 3.5323 8.1424 117.2284 59.5855 29.6167 177.9404 113 N 4.4435 8.4215 115.4598 55.3063 38.6276 176.2008 114 R 4.2857 7.9063 116.7760 56.0550 32.9842 175.8835 115 C 4.3945 7.4552 114.2621 58.0869 41.3677 174.0580 116 K 3.3696 6.5168 120.1463 57.8394 31.7170 176.8937 117 G 3.8632 8.8777 114.1056 45.4503 0.0000 172.8882 118 T 4.4470 7.2284 109.3145 60.0139 71.1651 175.8201 119 D 4.6639 8.1334 121.3335 53.1860 38.9249 176.4998 120 V 4.0584 8.0052 117.4117 63.4524 31.9766 177.0481 121 Q 4.0842 8.4217 118.7949 58.5970 28.4254 177.6123 122 A 3.9584 8.1857 121.8142 54.7416 18.0780 179.0473 123 W 4.0140 8.2624 116.3947 58.1311 29.6691 176.7902 124 I 4.5483 7.8820 110.9629 60.1495 38.4130 175.6940 125 R 4.1807 7.3992 121.5806 57.7069 30.1750 176.8907 126 G 4.0329 9.0521 111.0651 45.3919 0.0000 174.2766 127 C 4.5495 7.5818 116.6565 56.0379 41.2024 173.0818 128 R 4.4275 8.3700 123.3191 55.2520 30.3264 176.2942 129 L 4.3835 8.3630 124.3542 54.9798 42.4480 176.3292 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 K 8.17 4.24 0.00 1.78 1.71 0.00 1.36 0.00 0.00 1.49 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 1.17 7.81 2 V 8.21 4.67 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 0.97 0.00 0.00 0.97 0.00 0.00 3 F 9.55 4.44 0.00 2.78 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 4 G 8.54 3.97 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 0.00 5 R 8.90 3.48 0.00 2.17 2.07 0.00 3.63 0.00 0.00 3.76 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.13 0.00 6 C 8.11 4.39 0.00 3.02 3.13 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 7 E 8.10 3.91 0.00 2.06 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 2.62 2.41 0.00 8 L 8.16 3.48 0.00 1.26 1.29 -0.02 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.95 3.93 1.42 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 10 A 8.14 3.92 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 11 A 7.91 3.94 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 12 M 8.28 3.88 0.00 1.86 2.08 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.29 0.00 13 K 8.13 3.93 0.00 1.92 1.94 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 14 R 7.91 3.92 0.00 1.92 1.92 0.00 3.19 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 15 H 7.85 4.48 0.00 3.22 3.17 0.00 5.71 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.84 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 17 L 7.74 3.72 0.00 1.49 0.78 0.10 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.94 4.63 0.00 2.66 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 19 N 9.40 4.39 0.00 3.07 2.93 0.00 0.00 6.40 7.72 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 20 Y 8.39 4.30 0.00 3.12 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 21 R 9.19 3.45 0.00 2.12 2.02 0.00 3.33 0.00 0.00 2.96 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 1.46 0.00 22 G 8.32 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 23 Y 7.91 4.45 0.00 3.39 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 24 S 8.62 4.64 0.00 4.11 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 25 L 9.13 4.31 0.00 2.11 1.86 0.96 1.03 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 26 G 8.41 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 0.00 0.00 0.00 27 N 8.51 4.53 0.00 2.73 2.48 0.00 0.00 6.96 7.29 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 28 W 7.90 3.86 0.00 3.45 3.06 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 29 V 7.96 3.64 2.25 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 1.28 0.00 0.00 1.05 0.00 0.00 30 C 8.41 3.21 0.00 2.99 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 31 A 8.14 3.96 1.02 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 0.00 0.00 32 A 7.94 4.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.80 2.48 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.91 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.30 0.21 7.81 34 F 7.21 4.44 0.00 3.04 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 35 E 8.01 4.37 0.00 2.04 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 2.55 2.61 0.00 36 S 7.70 4.54 0.00 4.12 4.20 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 37 N 8.28 4.08 0.00 2.73 2.85 0.00 0.00 7.38 7.02 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 38 F 7.89 4.10 0.00 3.32 3.13 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 39 N 7.95 5.18 0.00 2.83 2.81 0.00 0.00 6.98 7.38 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 40 T 9.08 4.17 4.55 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 1.57 0.00 0.00 41 Q 8.68 4.73 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 42 A 7.87 4.27 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 43 T 8.33 4.89 3.98 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 1.35 0.00 0.00 44 N 8.85 4.97 0.00 2.76 2.67 0.00 0.00 6.29 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 45 R 8.69 4.54 0.00 1.78 1.78 0.00 3.19 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 46 N 9.27 5.15 0.00 2.84 2.71 0.00 0.00 6.65 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 47 T 8.62 3.90 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 48 D 7.90 4.45 0.00 2.74 2.80 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 49 G 7.91 3.97 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 0.00 50 S 8.13 4.72 0.00 3.88 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 51 T 8.85 5.05 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 0.57 0.00 0.00 52 D 8.83 5.51 0.00 2.64 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.09 4.89 0.00 2.96 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 54 G 8.88 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 0.00 0.00 0.00 0.00 55 I 8.49 3.67 1.90 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.11 0.86 0.00 0.00 56 L 7.94 4.50 0.00 1.75 1.83 0.80 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.05 3.50 0.00 2.42 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 6.77 0.00 0.00 0.00 0.00 0.00 2.50 2.65 0.00 58 I 8.12 4.43 2.06 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 1.24 1.04 1.10 0.00 0.00 59 N 9.16 5.38 0.00 3.16 3.15 0.00 0.00 6.96 7.63 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 60 S 8.71 4.58 0.00 4.08 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 61 R 8.84 3.65 0.00 1.41 1.25 0.00 2.21 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.04 0.00 62 W 8.11 4.01 0.00 2.48 1.74 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 63 W 8.38 4.92 0.00 3.49 3.23 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 64 C 8.30 5.61 0.00 3.13 3.26 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 65 N 9.03 5.27 0.00 2.82 2.70 0.00 0.00 7.18 8.69 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 66 D 8.94 4.60 0.00 2.77 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 67 G 8.25 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 0.00 0.00 0.00 68 R 8.39 4.59 0.00 1.89 1.94 0.00 3.10 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.72 0.00 69 T 7.72 4.44 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 1.08 0.00 0.00 70 P 0.00 4.18 0.00 1.97 1.93 0.00 3.68 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 1.98 2.04 0.00 71 G 8.71 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 72 S 7.38 4.08 0.00 3.87 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 73 R 8.56 4.24 0.00 1.84 1.89 0.00 3.52 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 74 N 8.07 4.18 0.00 2.87 2.74 0.00 0.00 7.25 6.66 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 75 L 8.18 4.16 0.00 1.91 1.93 0.55 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 76 C 8.48 4.52 0.00 3.41 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 77 N 8.03 4.14 0.00 2.86 2.84 0.00 0.00 6.84 7.32 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 78 I 8.15 4.59 1.89 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 1.30 1.22 0.95 0.00 0.00 79 P 0.00 4.80 0.00 2.17 1.90 0.00 3.63 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 2.08 2.08 0.00 80 C 8.62 4.16 0.00 2.18 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 0.00 0.00 0.00 81 S 7.92 3.78 0.00 4.01 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 82 A 7.80 4.14 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 83 L 8.01 4.39 0.00 1.89 1.80 1.02 0.79 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 84 L 7.47 5.18 0.00 1.80 1.68 1.14 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.40 4.80 0.00 3.78 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 86 S 8.64 4.24 0.00 3.98 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 87 D 7.98 4.69 0.00 2.69 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 88 I 8.29 3.99 1.67 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 -0.02 0.74 0.00 0.00 89 T 8.37 3.71 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 90 A 7.93 3.95 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 91 S 7.95 4.10 0.00 3.95 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 92 V 7.83 3.26 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 0.71 0.00 0.00 0.60 0.00 0.00 93 N 8.17 4.18 0.00 2.70 2.79 0.00 0.00 6.74 8.20 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 94 C 8.26 4.32 0.00 3.09 3.06 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 95 A 8.15 4.12 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 96 K 7.81 3.73 0.00 1.77 1.59 0.00 1.32 0.00 0.00 1.04 0.00 0.00 2.21 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.30 0.96 7.81 97 K 7.31 4.02 0.00 1.79 1.94 0.00 1.98 0.00 0.00 1.91 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.63 1.58 7.81 98 I 7.18 2.92 1.57 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.19 -0.24 0.00 0.00 99 V 7.98 4.02 2.28 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 1.35 0.00 0.00 1.50 0.00 0.00 100 S 7.54 4.74 0.00 4.10 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 *103 N 8.00 4.42 0.00 2.70 2.78 0.00 0.00 7.24 7.98 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 0.00 104 G 8.21 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 105 M 7.17 4.22 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.09 0.00 106 N 7.57 4.67 0.00 2.87 3.01 0.00 0.00 7.05 7.84 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 0.00 107 A 7.85 3.79 0.61 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 0.00 108 W 8.22 4.52 0.00 3.65 3.26 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 0.00 109 V 8.56 3.71 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 1.09 0.00 0.00 0.97 0.00 0.00 110 A 8.55 4.06 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.29 3.91 0.00 3.38 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.14 3.53 0.00 2.12 2.14 0.00 3.47 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.23 0.00 113 N 8.42 4.44 0.00 2.70 2.78 0.00 0.00 6.87 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 0.00 114 R 7.91 4.29 0.00 1.26 1.26 0.00 2.55 0.00 0.00 2.50 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.40 0.00 115 C 7.46 4.39 0.00 2.27 2.94 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 0.00 116 K 6.52 3.37 0.00 0.79 1.24 0.00 1.72 0.00 0.00 1.57 0.00 0.00 3.07 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.23 1.14 7.81 117 G 8.88 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 0.00 118 T 7.23 4.45 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 1.21 0.00 0.00 119 D 8.13 4.66 0.00 2.78 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 0.00 120 V 8.01 4.06 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 0.91 0.00 0.00 1.13 0.00 0.00 121 Q 8.42 4.08 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 122 A 8.19 3.96 1.20 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 0.00 0.00 123 W 8.26 4.01 0.00 3.57 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.88 4.55 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.82 1.05 0.00 0.00 125 R 7.40 4.18 0.00 1.75 1.91 0.00 3.12 0.00 0.00 3.38 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 126 G 9.05 4.03 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 0.00 0.00 0.00 127 C 7.58 4.55 0.00 3.13 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 0.00 128 R 8.37 4.43 0.00 1.77 1.84 0.00 3.18 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 129 L 8.36 4.38 0.00 1.64 1.50 0.95 0.91 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 * Residues marked with a * may have inaccurate shift predictions.