NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2819 8.1627 120.5972 55.3131 33.9762 173.5103 2 L 4.6645 8.1730 128.3940 53.6779 43.2866 173.7632 3 Y 4.8281 9.7373 124.4807 56.5101 42.8154 174.0858 4 H 4.6995 9.0220 118.9710 54.1729 30.7329 173.4080 5 L 4.6198 8.3758 127.2955 53.8690 42.5475 175.7460 6 F 5.0566 9.2257 125.7382 56.2997 40.9092 175.8280 7 V 2.5540 8.0701 121.2603 62.3207 31.8090 175.5125 8 N 4.3330 8.4482 118.7722 52.7920 36.9249 173.2570 9 N 4.9011 7.6851 115.1904 53.1059 42.1198 171.1250 10 Q 4.9592 8.1898 114.5749 55.9929 31.8091 173.7988 11 V 4.5218 8.1575 110.4893 60.1880 36.3334 174.5313 12 K 4.6670 8.6211 124.9592 55.3706 32.7634 176.9803 13 L 3.9991 8.2183 125.9264 54.2670 42.3839 177.2545 14 Q 4.2070 9.4251 124.4291 58.5456 29.2335 176.1067 15 N 5.2247 7.8136 112.0679 50.9135 42.2804 173.5975 16 D 4.8157 8.4629 119.5670 54.4198 42.1951 176.2794 17 F 4.6642 9.6840 125.5471 57.8670 40.3628 174.2673 18 K 4.8627 7.9709 125.4169 54.0102 36.6849 173.3084 19 P 4.5526 0.0000 0.0000 64.9599 31.5953 175.9413 20 E 4.1946 9.3996 122.2879 56.1033 28.9966 175.4870 21 S 4.6231 7.8858 115.0959 58.5649 64.0823 173.7054 22 V 5.1217 8.7915 122.3061 61.1112 34.9808 173.9125 23 A 5.2777 9.6347 129.0166 50.2079 21.9664 174.6715 24 A 4.7299 9.2466 125.7900 50.4116 21.0501 174.9886 25 I 4.6205 8.6118 123.6501 61.1008 38.9647 175.6467 26 R 4.8009 9.1273 125.9533 54.4146 33.6516 174.9769 27 S 4.9329 8.7030 118.7898 57.2986 64.3942 174.4826 28 S 4.7640 8.7840 116.8087 58.1988 63.6088 174.4518 29 A 4.3715 7.7233 120.4833 52.0275 22.6110 173.9390 30 F 3.8676 8.4217 119.7722 58.6895 37.6816 174.2321 31 N 4.5369 8.6469 126.8745 51.0892 38.1238 176.3127 32 S 3.7518 8.1954 119.3484 60.4229 62.8190 175.6093 33 K 4.4441 7.6555 118.9033 55.8127 32.4474 176.3096 34 G 3.7207 7.6152 107.8361 44.9527 0.0000 175.6482 35 G 3.8482 8.5475 112.2819 44.6667 0.0000 173.2376 36 T 4.0016 8.3664 117.1065 64.8894 69.1416 173.8976 37 T 4.6459 8.9562 122.4786 61.6778 72.1860 173.1897 38 V 5.4987 8.6197 125.9027 60.3134 35.2373 174.2145 39 F 5.3753 8.6396 123.1278 55.8785 42.6557 173.2087 40 N 5.6227 9.1728 120.8827 51.5337 41.9744 173.5204 41 F 4.6382 9.5766 123.8072 56.4454 40.5266 174.6946 42 L 5.3315 8.9790 125.2887 52.7906 44.1642 177.6306 43 S 4.9995 9.2161 118.0940 57.1122 64.3156 174.8257 44 A 3.9798 8.6496 122.5662 55.4690 18.0796 178.6835 45 G 3.8683 8.0300 101.8750 45.7907 0.0000 173.7521 46 E 3.8686 7.9550 116.4575 56.5869 27.5138 174.3122 47 N 4.5512 8.0507 117.3772 53.2299 39.2256 174.8041 48 I 4.3402 8.2457 123.9953 60.6439 36.5337 176.5132 49 L 4.2670 8.7726 127.9500 57.0689 42.5456 177.7163 50 L 4.7908 7.9407 120.5426 53.6462 45.5488 174.2741 51 H 5.6354 9.2456 126.4080 53.6933 32.6847 172.5805 52 I 4.0309 8.9709 127.2057 59.8025 39.5359 174.7509 53 S 4.7430 8.8282 124.6334 56.5212 63.0647 172.3530 54 I 4.3290 8.6066 128.7227 60.7209 38.3220 175.2901 55 R 4.4985 8.5266 127.7441 52.9029 30.6258 174.6014 56 P 2.9700 0.0000 0.0000 65.0125 31.4411 179.6122 57 G 3.5634 7.7473 106.1452 47.1177 0.0000 173.3540 58 E 4.3863 7.7580 118.6920 54.7510 30.5012 174.7946 59 N 4.2305 7.8233 115.1892 54.1872 38.2090 173.1491 60 V 5.0357 7.1619 113.9595 60.4981 35.8006 173.9228 61 I 4.8654 8.9303 122.2283 59.5972 40.3643 174.6077 62 V 4.6542 8.6086 127.6055 61.1513 33.7964 174.3319 63 F 5.5166 8.7176 125.8568 55.3411 42.3139 174.2656 64 N 5.2185 7.9132 118.5504 55.1308 42.4069 172.5039 65 S 5.4597 9.7082 114.6239 58.0549 68.2545 174.0824 66 R 4.4633 8.6450 115.0539 55.6350 32.6803 174.2331 67 L 4.4684 8.1499 121.9737 54.2410 42.6447 177.7531 68 K 3.7886 9.1174 125.3225 59.6269 32.0369 177.9663 69 N 4.8789 7.9507 113.4414 53.0157 39.0326 174.3288 70 G 4.0800 8.3543 107.1732 44.0404 0.0000 172.2301 71 A 4.5794 8.0549 121.1059 49.6411 21.1529 176.7749 72 W 4.6286 8.4802 119.3742 57.3700 29.9565 176.8911 73 G 4.3514 8.7108 110.7748 44.4283 0.0000 171.5416 74 P 4.7308 0.0000 0.0000 63.0327 32.0546 175.8015 75 E 4.7599 8.7312 120.2838 55.7214 31.1593 175.4500 76 E 4.8434 9.0955 123.0802 54.9945 31.5841 175.2910 77 R 5.5554 9.0098 122.9707 53.4074 33.8622 174.8563 78 I 4.8145 8.3076 114.3325 58.5581 41.3225 172.3504 79 P 4.6766 0.0000 0.0000 64.0833 31.3828 175.7347 80 Y 4.2796 8.5610 124.6835 60.3579 39.2480 175.9484 81 A 3.7914 8.1959 120.2104 53.9163 18.9131 176.8761 82 E 3.6486 8.5328 119.5103 57.8557 27.2117 175.6934 83 K 4.3113 7.6910 117.9297 56.3854 34.6403 176.5979 84 F 5.1845 7.7481 115.5499 55.4196 41.3042 174.8232 85 R 4.5587 9.4415 124.9558 53.8084 30.6980 174.0488 86 P 4.4016 0.0000 0.0000 61.8829 32.2297 174.4426 87 P 4.7737 0.0000 0.0000 63.5223 32.3093 175.7146 88 N 5.5131 7.8268 115.4463 50.0410 37.7531 172.2158 89 P 4.9875 0.0000 0.0000 62.5551 33.6687 176.7467 90 S 5.0499 8.9171 113.2046 57.1566 67.4362 172.7946 91 I 4.6934 8.5551 120.3200 60.2225 41.5820 174.3570 92 T 5.0298 9.0417 123.7660 61.6179 71.7084 173.2570 93 V 4.8766 8.8841 125.5290 61.1236 34.8477 174.1760 94 I 5.0811 8.7479 127.7844 59.5426 41.1605 174.0655 95 D 4.6908 8.7221 127.1914 53.4424 41.7688 175.7422 96 H 4.8052 8.9015 124.4740 55.6913 28.5972 176.5777 97 G 4.1556 8.6489 116.4514 44.4349 0.0000 174.7488 98 D 4.8074 7.5468 118.3483 52.9656 41.6360 175.3304 99 R 4.9855 7.5444 114.5979 55.0905 33.2475 173.6040 100 F 5.3592 9.1461 118.8159 56.1729 41.5999 174.6146 101 Q 4.7975 9.1653 124.0547 54.3333 31.4842 174.0724 102 I 4.7256 8.7808 128.0316 59.4662 40.2481 174.6480 103 R 4.4573 8.7692 126.1865 54.4221 33.0169 175.5546 104 F 4.9929 7.8913 121.8362 56.0748 40.7116 175.3976 105 D 4.2337 8.2772 121.3945 57.2682 40.9043 175.3849 106 Y 4.6546 7.2721 114.0988 56.4285 41.5100 175.2421 107 G 3.9004 8.5970 110.0100 45.1471 0.0000 172.9992 108 T 4.2565 8.0906 112.4619 61.2683 68.1843 174.4917 109 S 4.4384 8.2408 121.3292 58.3778 64.1878 173.4104 110 I 4.3212 8.1101 122.0409 59.6682 39.7462 174.4076 111 Y 5.0842 8.4446 123.6668 56.3148 40.6221 174.6189 112 Y 4.6269 9.2098 124.9649 55.4679 41.7445 174.1498 113 N 4.6708 8.5616 125.0002 53.1836 39.0075 175.3824 114 K 4.0742 8.4153 123.8363 57.4161 32.3280 177.1345 115 R 4.5485 8.9570 119.9871 55.7282 32.6608 175.9520 116 I 4.5654 7.8109 118.2348 59.2217 39.5355 176.3830 117 K 4.3780 8.4662 125.8116 55.1548 31.2381 175.4440 118 E 4.7169 7.8301 124.4029 56.1205 33.9010 174.3095 119 N 5.0842 8.5804 117.8649 52.1899 41.6387 173.6274 120 A 4.9895 8.9611 121.9333 51.3265 20.4335 177.8076 121 A 4.7012 9.1815 123.1882 51.9136 20.9810 175.8694 122 A 4.6510 7.2935 115.2527 51.2139 23.0446 175.1928 123 I 4.6897 7.9239 118.6918 59.4180 40.8471 175.0487 124 A 5.1870 9.0820 128.4033 50.4326 22.4542 174.8039 125 Y 5.0136 8.6805 120.0288 55.9880 41.9606 173.9799 126 N 5.3391 8.6868 123.2632 51.2472 42.8365 173.4867 127 A 4.1718 8.0300 120.8804 51.8224 22.1754 176.5582 128 E 4.0454 9.0624 122.2331 58.7028 30.3674 177.1258 129 N 4.8465 7.3616 116.4881 51.8147 39.4559 172.4904 130 S 4.3305 7.7576 115.4800 57.4743 63.7100 174.1640 131 L 3.9502 8.0851 126.4763 56.8996 42.4464 176.5258 132 F 5.4540 7.6504 116.8940 55.6459 41.9178 175.3431 133 S 4.7407 8.8015 114.5356 58.1010 64.6932 173.8824 134 S 4.8396 8.5133 114.9965 56.2569 64.2279 171.7822 135 P 4.7508 0.0000 0.0000 61.8107 33.5665 174.9921 136 V 4.5188 7.9626 110.2433 60.0641 34.9521 175.6377 137 T 4.2953 8.5904 121.0370 63.4391 69.9357 174.0296 138 V 4.7236 8.5998 125.1975 61.4297 34.8423 173.6981 139 D 5.2620 8.9376 128.9310 52.8273 42.6714 175.6164 140 V 4.9956 8.8695 124.8946 61.6542 33.1888 174.6678 141 H 5.0830 9.8420 124.9802 54.0573 31.6950 175.4167 142 G 3.8004 8.8971 109.2982 46.7302 0.0000 173.4009 143 L 5.0603 7.3093 116.5385 55.2261 42.2878 173.9743 144 L 3.8208 8.7158 119.7906 54.9068 41.7953 176.0195 145 P 4.5478 0.0000 0.0000 61.0146 32.3999 174.1848 146 P 4.2097 0.0000 0.0000 63.1835 31.5737 176.2397 147 L 4.4172 8.2680 123.0777 53.0353 42.5239 174.9779 148 P 4.5831 0.0000 0.0000 61.5513 32.3181 175.6111 149 P 3.9336 0.0000 0.0000 64.6428 31.5762 176.5988 150 A 4.2706 7.3837 125.1664 52.1753 19.1401 175.4438 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 8.16 4.28 0.00 2.20 1.97 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.36 0.00 2 L 8.17 4.66 0.00 1.75 1.38 0.87 0.49 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 3 Y 9.74 4.83 0.00 2.93 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 4 H 9.02 4.70 0.00 3.14 3.10 0.00 5.71 0.00 0.00 0.00 0.00 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.38 4.62 0.00 1.78 1.60 1.18 1.35 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 6 F 9.23 5.06 0.00 3.08 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 7 V 8.07 2.55 1.54 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 0.55 0.00 0.00 0.41 0.00 0.00 8 N 8.45 4.33 0.00 2.73 2.85 0.00 0.00 6.65 7.87 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 9 N 7.69 4.90 0.00 2.91 2.86 0.00 0.00 6.77 6.74 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 10 Q 8.19 4.96 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.44 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 11 V 8.16 4.52 1.97 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 0.88 0.00 0.00 0.65 0.00 0.00 12 K 8.62 4.67 0.00 1.66 1.77 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.72 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.47 7.81 13 L 8.22 4.00 0.00 1.73 1.75 1.03 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 9.43 4.21 0.00 2.10 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.70 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 15 N 7.81 5.22 0.00 2.79 2.72 0.00 0.00 6.92 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 16 D 8.46 4.82 0.00 2.63 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 17 F 9.68 4.66 0.00 3.26 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 18 K 7.97 4.86 0.00 1.78 1.90 0.00 1.58 0.00 0.00 1.82 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.36 7.81 19 P 0.00 4.55 0.00 1.99 1.99 0.00 3.60 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.17 0.00 20 E 9.40 4.19 0.00 1.93 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 2.12 2.32 0.00 21 S 7.89 4.62 0.00 2.72 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 22 V 8.79 5.12 2.15 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 0.99 0.00 0.00 0.95 0.00 0.00 23 A 9.63 5.28 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 24 A 9.25 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 25 I 8.61 4.62 1.56 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.39 0.40 0.00 0.00 26 R 9.13 4.80 0.00 1.59 1.70 0.00 3.06 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 27 S 8.70 4.93 0.00 3.72 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 28 S 8.78 4.76 0.00 4.04 3.95 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 29 A 7.72 4.37 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.42 3.87 0.00 3.24 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 N 8.65 4.54 0.00 2.53 2.61 0.00 0.00 6.48 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 32 S 8.20 3.75 0.00 3.96 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 33 K 7.66 4.44 0.00 1.65 1.74 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.33 7.81 34 G 7.62 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 35 G 8.55 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 36 T 8.37 4.00 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 1.11 0.00 0.00 37 T 8.96 4.65 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 1.23 0.00 0.00 38 V 8.62 5.50 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 1.27 0.00 0.00 0.91 0.00 0.00 39 F 8.64 5.38 0.00 3.16 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 40 N 9.17 5.62 0.00 2.68 2.78 0.00 0.00 6.56 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 41 F 9.58 4.64 0.00 2.81 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 42 L 8.98 5.33 0.00 1.53 1.58 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 43 S 9.22 5.00 0.00 4.05 4.12 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 44 A 8.65 3.98 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 45 G 8.03 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 46 E 7.96 3.87 0.00 2.14 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 2.22 2.27 0.00 47 N 8.05 4.55 0.00 2.81 2.75 0.00 0.00 7.03 6.59 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 48 I 8.25 4.34 1.91 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.66 1.13 0.00 0.00 49 L 8.77 4.27 0.00 1.87 2.07 1.17 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.94 4.79 0.00 0.87 1.00 0.82 -0.02 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 51 H 9.25 5.64 0.00 3.60 3.43 0.00 5.64 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.97 4.03 2.07 0.00 0.00 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 1.23 0.98 0.97 0.00 0.00 53 S 8.83 4.74 0.00 3.46 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.61 4.33 1.99 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.75 1.15 0.00 0.00 55 R 8.53 4.50 0.00 1.62 1.69 0.00 3.04 0.00 0.00 3.12 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.60 0.00 56 P 0.00 2.97 0.00 1.83 1.52 0.00 3.47 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 1.79 1.89 0.00 57 G 7.75 3.56 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 0.00 0.00 0.00 58 E 7.76 4.39 0.00 1.84 1.83 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 2.17 2.16 0.00 59 N 7.82 4.23 0.00 3.00 2.78 0.00 0.00 6.70 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 60 V 7.16 5.04 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 0.64 0.00 0.00 1.00 0.00 0.00 61 I 8.93 4.87 2.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.45 0.70 0.00 0.00 62 V 8.61 4.65 1.89 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 0.90 0.00 0.00 0.87 0.00 0.00 63 F 8.72 5.52 0.00 2.94 2.44 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 64 N 7.91 5.22 0.00 2.70 2.81 0.00 0.00 7.47 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 65 S 9.71 5.46 0.00 4.05 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 66 R 8.65 4.46 0.00 1.52 1.58 0.00 2.21 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.89 0.00 67 L 8.15 4.47 0.00 1.69 1.67 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 68 K 9.12 3.79 0.00 1.78 1.84 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.42 7.81 69 N 7.95 4.88 0.00 2.71 2.77 0.00 0.00 6.59 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 70 G 8.35 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 71 A 8.05 4.58 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 72 W 8.48 4.63 0.00 3.23 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 73 G 8.71 4.35 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 0.00 74 P 0.00 4.73 0.00 2.18 2.15 0.00 3.89 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 2.11 2.08 0.00 75 E 8.73 4.76 0.00 1.92 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 2.23 2.34 0.00 76 E 9.10 4.84 0.00 2.43 2.13 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 2.49 2.96 0.00 77 R 9.01 5.56 0.00 1.72 1.86 0.00 3.28 0.00 0.00 2.25 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 78 I 8.31 4.81 1.99 0.00 0.00 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 1.65 1.24 1.02 0.00 0.00 79 P 0.00 4.68 0.00 1.98 2.09 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 80 Y 8.56 4.28 0.00 3.00 3.11 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 81 A 8.20 3.79 1.37 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 82 E 8.53 3.65 0.00 2.00 1.82 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 2.07 2.23 0.00 83 K 7.69 4.31 0.00 1.20 0.74 0.00 1.61 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.22 1.02 7.81 84 F 7.75 5.18 0.00 2.86 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 85 R 9.44 4.56 0.00 1.46 1.77 0.00 2.97 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 86 P 0.00 4.40 0.00 2.34 1.92 0.00 3.79 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 87 P 0.00 4.77 0.00 2.28 2.28 0.00 3.73 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 1.98 2.02 0.00 88 N 7.83 5.51 0.00 2.57 2.83 0.00 0.00 7.30 8.02 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 89 P 0.00 4.99 0.00 2.29 2.19 0.00 4.04 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.35 0.00 90 S 8.92 5.05 0.00 3.93 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 91 I 8.56 4.69 1.62 0.00 0.00 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 1.84 0.74 0.80 0.00 0.00 92 T 9.04 5.03 4.12 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 1.18 0.00 0.00 93 V 8.88 4.88 1.97 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 0.59 0.00 0.00 0.79 0.00 0.00 94 I 8.75 5.08 1.82 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 1.13 0.70 0.70 0.00 0.00 95 D 8.72 4.69 0.00 2.66 2.43 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 96 H 8.90 4.81 0.00 3.33 3.24 0.00 5.70 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 97 G 8.65 4.16 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 0.00 98 D 7.55 4.81 0.00 2.65 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 99 R 7.54 4.99 0.00 1.93 1.97 0.00 2.95 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 100 F 9.15 5.36 0.00 3.17 2.89 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 0.00 101 Q 9.17 4.80 0.00 2.31 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 1.96 1.58 0.00 102 I 8.78 4.73 1.55 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.30 0.59 0.00 0.00 103 R 8.77 4.46 0.00 1.47 1.59 0.00 3.02 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.38 0.00 104 F 7.89 4.99 0.00 2.78 2.46 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 0.00 105 D 8.28 4.23 0.00 2.48 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 0.00 0.00 0.00 0.00 106 Y 7.27 4.65 0.00 3.00 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 0.00 107 G 8.60 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 0.00 0.00 0.00 108 T 8.09 4.26 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 1.24 0.00 0.00 109 S 8.24 4.44 0.00 3.43 3.31 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 0.00 110 I 8.11 4.32 1.25 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 1.18 0.87 0.22 0.00 0.00 111 Y 8.44 5.08 0.00 2.82 2.87 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 0.00 112 Y 9.21 4.63 0.00 2.96 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 0.00 113 N 8.56 4.67 0.00 2.43 2.65 0.00 0.00 7.16 7.61 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 0.00 114 K 8.42 4.07 0.00 1.63 1.78 0.00 1.52 0.00 0.00 1.51 0.00 0.00 2.22 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.03 1.09 7.81 115 R 8.96 4.55 0.00 1.90 2.01 0.00 3.42 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.73 0.00 116 I 7.81 4.57 2.00 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 1.53 0.71 1.00 0.00 0.00 117 K 8.47 4.38 0.00 1.87 1.85 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.47 7.81 118 E 7.83 4.72 0.00 2.02 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 2.26 2.37 0.00 119 N 8.58 5.08 0.00 2.73 3.04 0.00 0.00 6.67 7.18 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 0.00 120 A 8.96 4.99 1.58 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 0.00 0.00 121 A 9.18 4.70 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 0.00 122 A 7.29 4.65 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 123 I 7.92 4.69 1.48 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.43 0.38 0.00 0.00 124 A 9.08 5.19 1.21 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 0.00 0.00 125 Y 8.68 5.01 0.00 2.92 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 0.00 126 N 8.69 5.34 0.00 2.57 2.55 0.00 0.00 6.31 6.90 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 0.00 127 A 8.03 4.17 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 0.00 128 E 9.06 4.05 0.00 1.89 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 2.23 2.20 0.00 129 N 7.36 4.85 0.00 2.65 2.52 0.00 0.00 6.87 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 0.00 130 S 7.76 4.33 0.00 3.70 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 0.00 131 L 8.09 3.95 0.00 0.85 0.53 0.69 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 132 F 7.65 5.45 0.00 3.16 2.99 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 0.00 133 S 8.80 4.74 0.00 3.95 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 0.00 134 S 8.51 4.84 0.00 3.90 3.83 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 0.00 135 P 0.00 4.75 0.00 1.89 0.49 0.00 3.52 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.18 0.00 136 V 7.96 4.52 1.91 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 0.89 0.00 0.00 0.77 0.00 0.00 137 T 8.59 4.30 4.32 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 0.00 0.00 0.00 1.18 0.00 0.00 138 V 8.60 4.72 2.15 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 1.01 0.00 0.00 0.90 0.00 0.00 139 D 8.94 5.26 0.00 2.75 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 0.00 140 V 8.87 5.00 2.42 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 1.12 0.00 0.00 1.17 0.00 0.00 141 H 9.84 5.08 0.00 3.07 3.34 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.90 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 0.00 0.00 0.00 143 L 7.31 5.06 0.00 1.68 1.58 0.92 0.78 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 0.00 144 L 8.72 3.82 0.00 1.63 1.67 0.91 0.99 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 0.00 145 P 0.00 4.55 0.00 2.16 2.02 0.00 3.68 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.75 0.00 146 P 0.00 4.21 0.00 2.05 2.05 0.00 3.67 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 2.03 2.12 0.00 147 L 8.27 4.42 0.00 1.62 1.57 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 148 P 0.00 4.58 0.00 2.20 2.16 0.00 3.68 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 2.05 1.96 0.00 149 P 0.00 3.93 0.00 2.05 2.15 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 150 A 7.38 4.27 1.13 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 0.00 0.00