NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3788 8.2893 120.3493 55.4919 32.0922 173.8820 2 N 4.4863 8.0449 120.7641 50.3738 37.9695 171.3356 3 E 3.9731 9.3434 125.3725 56.9037 29.3534 178.4484 4 L 4.4124 8.1580 124.7626 53.3815 40.6402 176.0009 5 E 4.5333 8.0290 123.2703 53.5484 32.1099 175.8331 6 G 3.7844 8.1521 112.6103 45.2381 0.0000 172.1935 7 Y 4.7434 8.7596 117.2409 56.0824 40.1720 176.8452 8 V 4.0595 8.5753 123.8025 63.5459 32.5331 177.5925 9 T 4.2116 8.1705 117.2997 66.1442 68.7925 174.9945 10 K 4.4007 7.9516 119.9210 56.6572 32.6238 177.3612 11 A 4.2790 8.2187 123.6912 53.5858 19.0294 182.1848 12 Q 3.4328 7.7649 111.7560 57.9703 31.6208 180.1433 13 S 4.0950 8.0131 110.8627 59.9891 63.1472 174.3235 14 F 4.2206 8.5962 119.8219 56.5059 39.8425 174.4812 15 R 4.5589 8.3437 121.5704 54.7203 32.1831 174.2909 16 F 5.6625 8.7280 123.0639 55.7842 43.8983 173.5512 17 A 4.7219 8.5584 120.5438 50.5356 22.4765 175.2211 18 I 4.8162 8.8081 122.9534 59.4842 40.3623 175.0108 19 V 4.5805 8.6357 125.4536 61.1963 34.4043 174.5985 20 V 5.2907 8.7706 120.6367 58.3585 35.2440 174.6936 21 A 5.6641 8.4468 125.5975 50.6069 19.6767 177.8051 22 R 4.2637 8.9491 121.4363 58.8596 30.7150 176.7295 23 F 4.1148 8.2991 119.9085 59.8115 39.7586 174.1925 24 N 4.3400 8.4336 123.3009 54.5162 36.2624 176.0761 25 E 4.4690 8.0671 121.6488 59.3895 29.4057 177.7305 26 F 3.9628 8.3319 118.6691 60.9828 39.4050 176.4267 27 V 4.1246 8.5744 117.2527 65.0597 32.0624 177.5648 28 T 3.8655 8.0098 109.0754 65.1026 68.2712 175.3567 29 R 4.0533 8.5010 122.0574 59.3590 30.0207 178.1586 30 R 3.8211 7.9768 116.7870 59.3213 30.1434 178.1870 31 L 3.8341 8.2023 120.2169 58.6227 41.9555 178.7377 32 M 3.8631 8.5875 117.8044 58.8263 32.2369 177.6424 33 E 4.0725 8.7561 119.1215 59.6321 29.5588 179.8597 34 G 3.4827 8.4763 105.4348 47.7102 0.0000 175.2874 35 A 3.6716 7.8077 124.0408 54.7774 18.4566 178.8832 36 L 4.0792 8.2697 118.7725 58.6447 41.9816 178.2995 37 D 4.4013 8.6394 117.7509 58.1041 41.1029 178.7207 38 T 3.8725 8.0353 116.0324 66.9453 68.2088 176.0379 39 F 4.3124 7.6770 117.9519 60.8070 39.3132 177.4587 40 K 4.1837 8.1764 117.1511 59.6635 31.7527 179.1133 41 K 3.8759 8.6298 118.7543 59.2000 32.6100 176.8824 42 Y 4.2979 8.6897 117.6594 58.4036 38.5859 176.1492 43 S 3.7647 8.1497 111.2492 58.8335 63.5198 172.8639 44 V 3.9651 7.7987 120.3304 62.1070 31.7002 175.8053 45 N 4.7082 8.3411 120.7198 53.7223 40.4493 174.1467 46 E 4.5055 9.0184 126.2755 56.3029 30.6514 174.4205 47 D 4.2971 8.7445 114.0263 59.8181 40.1810 173.9222 48 I 3.5631 6.5252 108.7090 58.4080 39.4385 174.3814 49 D 4.6566 8.7400 124.2956 54.0172 42.2559 175.4316 50 V 4.6502 8.3583 116.2841 59.5642 34.0171 175.0213 51 V 4.2896 8.8785 126.7410 60.9456 33.3716 174.3851 52 W 5.2207 8.8671 128.0695 55.8685 30.2976 176.1569 53 V 4.7122 9.1247 118.0707 58.8561 34.8128 174.8391 54 P 4.3647 0.0000 0.0000 65.5124 32.0305 176.3858 55 G 4.5301 8.1576 107.8822 42.4113 0.0000 173.1199 56 A 3.9514 8.6464 122.7571 55.3728 18.4011 179.4189 57 Y 3.9279 8.3510 116.0519 61.2084 38.6435 178.1722 58 E 4.1272 8.6493 119.1884 59.4499 29.5253 179.3524 59 L 3.9698 7.8035 119.0905 58.7451 41.7492 179.0676 60 G 3.6684 7.8472 100.9777 49.3308 0.0000 175.6136 61 V 3.6630 7.7316 112.0125 63.8868 32.1519 178.5473 62 T 3.8375 7.7441 114.7174 66.6961 68.2709 176.2315 63 A 3.8967 8.6334 122.5166 55.6388 18.3894 179.3482 64 Q 3.8982 8.4760 118.1072 60.0400 29.2235 178.7558 65 A 4.0117 8.8752 122.0405 54.6746 18.0746 179.1121 66 L 4.1465 8.2359 117.8627 57.8287 42.3544 180.2317 67 G 3.8182 8.9735 105.8890 47.9809 0.0000 176.0554 68 K 4.1930 8.1595 120.2748 58.2585 32.3306 178.9710 69 S 4.3519 8.3644 114.1954 58.6777 62.6688 175.1441 70 G 3.9237 7.9143 109.4944 46.3096 0.0000 174.7429 71 K 3.7938 7.8470 119.4209 58.1450 32.2086 176.9070 72 Y 4.7655 7.3807 114.1771 56.5928 40.3473 174.9154 73 H 4.8256 9.1303 118.3270 57.4986 30.0263 175.7842 74 A 4.9503 7.8737 118.0637 50.7307 22.6819 175.0909 75 I 4.9092 8.8201 115.5971 58.9302 40.7228 174.6521 76 V 4.6223 8.8233 125.7908 60.1117 33.8393 174.1310 77 C 5.0914 9.0788 123.0752 57.8855 30.6193 172.8102 78 L 5.5393 8.0663 123.4954 52.0835 44.9056 175.8097 79 G 4.3242 8.0733 107.3764 46.3947 0.0000 171.8932 80 A 5.2601 8.5303 121.3486 50.5946 21.9957 176.2956 81 V 4.2728 9.1108 123.1527 59.8848 33.5962 175.1586 82 V 4.2869 8.4578 119.5714 60.6053 32.5665 177.7206 83 K 3.5479 8.4836 127.4438 56.7562 29.0347 176.9568 84 G 3.7918 8.5374 113.1618 47.2958 0.0000 171.5702 85 D 4.6352 7.8893 116.9003 54.5752 43.2861 177.6041 86 T 4.2579 8.5609 115.1501 61.3723 70.7070 176.0960 87 S 4.9813 8.5462 117.0763 60.0912 62.5971 175.2574 88 H 3.8895 7.9365 122.5364 60.1301 29.4496 175.3301 89 Y 4.1722 8.2412 120.4379 61.4176 38.4844 177.7074 90 D 4.1875 8.4772 118.1801 58.0237 41.0780 178.6639 91 A 3.8472 8.2989 120.1435 55.9653 18.2938 179.4588 92 V 3.6115 8.4133 115.6603 65.9794 31.6136 178.3319 93 V 3.4617 8.1164 117.9098 66.4121 31.2078 177.8215 94 N 4.2419 8.8381 116.3669 56.3564 38.3788 177.2323 95 S 3.9489 8.1428 116.0694 62.1463 62.9851 176.3387 96 A 3.8971 8.6972 123.5991 55.3829 17.9422 179.1173 97 S 4.2736 8.7782 110.2724 61.7705 62.5356 176.5592 98 S 4.1070 8.9124 116.1931 61.6270 62.0927 176.2508 99 G 3.6239 8.4911 108.3196 48.1770 0.0000 175.4147 100 V 3.6875 7.9987 121.1873 65.8610 31.4956 177.3239 101 L 3.9438 8.2572 120.1519 57.4932 41.8009 178.7549 102 S 4.0882 8.8477 114.7619 62.0845 63.0670 176.5064 103 A 4.0945 8.6316 123.2410 55.3677 17.9613 179.4948 104 G 4.3154 8.2913 102.8716 47.8210 0.0000 175.4376 105 L 4.0261 7.7673 120.0363 57.5906 41.8015 179.0377 106 N 4.5035 8.6210 115.6270 56.4579 38.6358 177.3965 107 S 4.3843 8.7374 114.5039 58.9820 63.3605 175.3833 108 G 3.9746 8.0919 109.4261 45.6748 0.0000 172.8414 109 V 4.5460 7.8511 120.2348 59.8541 34.3197 173.2272 110 P 4.5101 0.0000 0.0000 63.2503 32.3156 174.7709 111 C 5.2555 8.5842 122.2072 57.8861 30.7207 173.7961 112 V 3.7462 8.8430 125.8869 62.5268 32.3072 175.3414 113 F 4.1511 9.0075 131.6006 56.4875 37.9451 175.5424 114 G 4.1810 8.7611 118.8969 44.1662 0.0000 170.7653 115 V 4.7586 6.4061 116.9900 59.5713 34.3104 177.2745 116 L 4.4266 8.8765 125.8444 54.1451 42.9373 177.1433 117 T 5.2991 7.9383 112.1241 60.3610 68.2488 173.1631 118 C 4.2929 8.1732 119.2571 60.4704 30.1857 174.5852 119 D 4.4975 8.9924 120.1094 56.0839 39.5643 176.7789 120 N 4.7170 9.5008 116.2661 51.9288 39.4190 175.8186 121 M 3.9773 8.8276 119.6128 59.1819 32.1118 177.7682 122 D 4.3716 8.2204 117.3000 57.7969 41.0103 178.1290 123 Q 3.9821 8.7390 116.7466 59.0496 29.0475 178.7124 124 A 4.1628 7.7023 120.3706 55.5624 18.3618 179.4537 125 I 3.7868 8.0914 118.2697 65.1683 37.2026 178.2850 126 N 4.4092 8.1896 116.9153 56.1608 38.4088 177.5073 127 R 4.0512 8.6306 119.1899 57.5428 30.8442 176.8085 128 A 4.4624 7.5335 123.7559 51.5367 18.3567 177.5626 129 G 3.9384 9.0366 106.3951 45.8128 0.0000 174.0351 130 G 4.2288 7.8199 110.9866 44.0886 0.0000 175.4435 131 K 4.1994 8.2897 120.4873 58.1272 32.5652 177.2425 132 A 4.4862 7.9860 121.4502 51.7926 20.0064 178.5441 133 G 3.7222 8.6780 105.5758 45.4653 0.0000 172.8838 134 N 5.7657 8.0416 119.0251 49.9749 41.4340 175.5507 135 K 4.1433 8.1766 131.2674 58.9949 32.3184 177.9308 136 G 3.7274 8.2438 104.8572 48.1266 0.0000 174.8081 137 A 3.7837 8.4232 123.2880 54.5841 18.0438 179.3044 138 E 3.7329 8.0015 116.7155 59.8232 29.0937 179.8264 139 S 4.0237 8.5266 114.9007 61.5492 62.8213 176.4473 140 A 3.3786 7.5816 123.0888 54.8675 17.9485 179.0238 141 L 3.3463 7.4778 118.3943 58.6950 42.0388 179.4996 142 T 3.6880 8.0373 115.3441 66.3926 68.2628 176.1200 143 A 3.8912 8.0189 123.0346 55.7960 18.2702 179.1428 144 I 3.6321 7.5480 117.7727 64.7074 37.1280 177.7582 145 E 3.8290 8.3484 119.3722 59.9325 29.4222 179.3732 146 M 3.8453 8.4423 118.2854 58.4495 31.7948 178.1021 147 A 3.8608 7.8396 119.5380 55.3289 18.7810 178.9003 148 S 4.2356 7.9266 110.6322 61.5808 62.3705 176.2601 149 L 4.0056 8.3120 123.0271 58.6753 41.7987 179.0267 150 F 4.4652 8.8878 117.4542 59.2539 39.8672 174.7623 151 E 5.0832 7.9976 118.1412 52.7769 28.7308 173.9536 152 H 4.9366 7.8336 129.5717 56.8940 32.1192 174.6970 153 H 4.4677 9.0673 113.9615 57.2371 29.0049 174.9632 154 L 3.9398 7.2915 120.8532 53.1195 41.9436 173.9714 155 K 4.1229 7.5132 120.9232 56.8075 32.7139 175.9667 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 8.29 4.38 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 N 8.04 4.49 0.00 2.90 2.78 0.00 0.00 6.34 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 E 9.34 3.97 0.00 1.97 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 0.00 2.31 2.33 0.00 4 L 8.16 4.41 0.00 1.68 1.82 0.96 0.95 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 5 E 8.03 4.53 0.00 1.79 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 2.03 2.17 0.00 6 G 8.15 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 7 Y 8.76 4.74 0.00 2.96 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.58 4.06 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 0.96 0.00 0.00 0.87 0.00 0.00 9 T 8.17 4.21 4.31 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 1.25 0.00 0.00 10 K 7.95 4.40 0.00 1.95 1.89 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.34 0.00 0.00 3.59 0.00 0.00 0.00 0.00 1.61 1.84 7.81 11 A 8.22 4.28 1.59 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 12 Q 7.76 3.43 0.00 2.32 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 13 S 8.01 4.10 0.00 3.62 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 14 F 8.60 4.22 0.00 2.64 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.34 4.56 0.00 1.82 1.70 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 1.47 1.76 0.00 16 F 8.73 5.66 0.00 2.52 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 17 A 8.56 4.72 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.81 4.82 1.74 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 1.18 0.89 0.74 0.00 0.00 19 V 8.64 4.58 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 0.95 0.00 0.00 0.81 0.00 0.00 20 V 8.77 5.29 1.73 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 0.61 0.00 0.00 -0.63 0.00 0.00 21 A 8.45 5.66 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 22 R 8.95 4.26 0.00 1.99 2.15 0.00 3.14 0.00 0.00 3.11 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.38 0.00 23 F 8.30 4.11 0.00 3.32 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 24 N 8.43 4.34 0.00 3.26 3.07 0.00 0.00 6.72 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 25 E 8.07 4.47 0.00 2.33 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 2.36 2.29 0.00 26 F 8.33 3.96 0.00 3.11 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 27 V 8.57 4.12 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 1.10 0.00 0.00 1.15 0.00 0.00 28 T 8.01 3.87 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 1.36 0.00 0.00 29 R 8.50 4.05 0.00 2.17 1.99 0.00 3.36 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 30 R 7.98 3.82 0.00 2.06 1.93 0.00 3.26 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.51 0.00 31 L 8.20 3.83 0.00 1.89 1.71 0.92 0.78 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 32 M 8.59 3.86 0.00 2.12 1.81 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.60 0.00 33 E 8.76 4.07 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 34 G 8.48 3.48 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 0.00 0.00 0.00 0.00 35 A 7.81 3.67 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 36 L 8.27 4.08 0.00 1.99 1.72 1.02 1.13 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 37 D 8.64 4.40 0.00 2.77 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 38 T 8.04 3.87 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 0.83 0.00 0.00 39 F 7.68 4.31 0.00 3.34 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 40 K 8.18 4.18 0.00 2.00 1.94 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.58 1.67 7.81 41 K 8.63 3.88 0.00 2.07 2.30 0.00 1.95 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.49 7.81 42 Y 8.69 4.30 0.00 3.23 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 43 S 8.15 3.76 0.00 4.15 4.02 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 44 V 7.80 3.97 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 0.90 0.00 0.00 1.33 0.00 0.00 45 N 8.34 4.71 0.00 2.76 2.75 0.00 0.00 6.93 7.53 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 46 E 9.02 4.51 0.00 2.05 1.84 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 2.15 2.25 0.00 47 D 8.74 4.30 0.00 2.78 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 48 I 6.53 3.56 1.72 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 1.40 1.53 0.54 0.00 0.00 49 D 8.74 4.66 0.00 2.62 2.65 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 0.00 0.00 0.00 0.00 50 V 8.36 4.65 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.91 0.00 0.00 51 V 8.88 4.29 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 1.07 0.00 0.00 0.86 0.00 0.00 52 W 8.87 5.22 0.00 3.24 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 53 V 9.12 4.71 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 0.83 0.00 0.00 1.11 0.00 0.00 54 P 0.00 4.36 0.00 2.21 2.38 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.05 0.00 55 G 8.16 4.53 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 0.00 0.00 0.00 56 A 8.65 3.95 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 57 Y 8.35 3.93 0.00 3.00 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 58 E 8.65 4.13 0.00 2.42 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 0.00 2.42 2.50 0.00 59 L 7.80 3.97 0.00 1.76 1.69 0.83 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.85 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.73 3.66 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 0.86 0.00 0.00 1.04 0.00 0.00 62 T 7.74 3.84 4.38 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 1.21 0.00 0.00 63 A 8.63 3.90 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 64 Q 8.48 3.90 0.00 2.20 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 65 A 8.88 4.01 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 66 L 8.24 4.15 0.00 1.73 1.70 0.70 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.97 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 0.00 0.00 0.00 68 K 8.16 4.19 0.00 1.96 1.92 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.48 7.81 69 S 8.36 4.35 0.00 4.08 4.19 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 70 G 7.91 3.92 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 0.00 0.00 0.00 71 K 7.85 3.79 0.00 0.79 1.19 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 1.39 7.81 72 Y 7.38 4.77 0.00 2.95 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 73 H 9.13 4.83 0.00 2.85 3.47 0.00 5.89 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.87 4.95 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.82 4.91 1.78 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 1.28 1.49 0.77 0.00 0.00 76 V 8.82 4.62 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 0.92 0.00 0.00 0.83 0.00 0.00 77 C 9.08 5.09 0.00 2.69 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 78 L 8.07 5.54 0.00 1.39 1.40 0.79 0.66 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 79 G 8.07 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 0.00 0.00 0.00 0.00 80 A 8.53 5.26 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 81 V 9.11 4.27 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 0.77 0.00 0.00 0.87 0.00 0.00 82 V 8.46 4.29 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 0.76 0.00 0.00 1.06 0.00 0.00 83 K 8.48 3.55 0.00 0.79 1.33 0.00 0.93 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.08 0.64 7.81 84 G 8.54 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 0.00 0.00 0.00 85 D 7.89 4.64 0.00 2.63 2.40 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 86 T 8.56 4.26 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 1.24 0.00 0.00 87 S 8.55 4.98 0.00 4.28 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 0.00 88 H 7.94 3.89 0.00 3.28 3.43 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 8.24 4.17 0.00 3.12 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 90 D 8.48 4.19 0.00 2.92 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 91 A 8.30 3.85 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 92 V 8.41 3.61 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 0.94 0.00 0.00 1.02 0.00 0.00 93 V 8.12 3.46 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 0.91 0.00 0.00 0.10 0.00 0.00 94 N 8.84 4.24 0.00 2.84 2.79 0.00 0.00 7.06 6.63 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 95 S 8.14 3.95 0.00 3.73 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.70 3.90 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 97 S 8.78 4.27 0.00 3.72 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.91 4.11 0.00 3.81 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 0.00 99 G 8.49 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 0.00 0.00 0.00 100 V 8.00 3.69 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 1.09 0.00 0.00 1.02 0.00 0.00 101 L 8.26 3.94 0.00 1.83 1.71 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.85 4.09 0.00 3.98 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 0.00 103 A 8.63 4.09 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 0.00 104 G 8.29 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 0.00 0.00 0.00 0.00 105 L 7.77 4.03 0.00 1.82 1.76 0.94 0.99 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 0.00 106 N 8.62 4.50 0.00 2.70 2.90 0.00 0.00 7.20 8.18 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 0.00 107 S 8.74 4.38 0.00 4.03 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 0.00 108 G 8.09 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 0.00 109 V 7.85 4.55 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 1.09 0.00 0.00 1.07 0.00 0.00 110 P 0.00 4.51 0.00 1.95 1.74 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.38 0.00 111 C 8.58 5.26 0.00 2.94 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 0.00 112 V 8.84 3.75 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 0.84 0.00 0.00 0.92 0.00 0.00 113 F 9.01 4.15 0.00 3.04 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 0.00 114 G 8.76 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 6.41 4.76 1.78 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 -0.77 0.00 0.00 0.74 0.00 0.00 116 L 8.88 4.43 0.00 1.63 1.66 0.95 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 117 T 7.94 5.30 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 1.28 0.00 0.00 118 C 8.17 4.29 0.00 2.97 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 0.00 119 D 8.99 4.50 0.00 2.67 2.52 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 0.00 120 N 9.50 4.72 0.00 2.88 2.91 0.00 0.00 6.77 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 0.00 121 M 8.83 3.98 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 122 D 8.22 4.37 0.00 2.82 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 0.00 123 Q 8.74 3.98 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 124 A 7.70 4.16 1.46 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 0.00 125 I 8.09 3.79 2.05 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 1.82 0.99 1.02 0.00 0.00 126 N 8.19 4.41 0.00 3.00 2.87 0.00 0.00 7.02 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 R 8.63 4.05 0.00 1.91 1.98 0.00 3.28 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 128 A 7.53 4.46 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 0.00 129 G 9.04 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 0.00 0.00 0.00 130 G 7.82 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.29 4.20 0.00 1.83 1.94 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.39 7.81 132 A 7.99 4.49 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 0.00 133 G 8.68 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 0.00 134 N 8.04 5.77 0.00 2.71 2.60 0.00 0.00 6.78 6.38 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 0.00 135 K 8.18 4.14 0.00 1.83 1.75 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.20 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.36 7.81 136 G 8.24 3.73 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 0.00 0.00 0.00 137 A 8.42 3.78 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 0.00 138 E 8.00 3.73 0.00 2.12 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 2.26 2.42 0.00 139 S 8.53 4.02 0.00 3.83 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 0.00 140 A 7.58 3.38 0.38 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 0.00 141 L 7.48 3.35 0.00 1.43 1.64 0.70 0.11 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 0.00 142 T 8.04 3.69 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 1.12 0.00 0.00 143 A 8.02 3.89 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 0.00 144 I 7.55 3.63 1.92 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.43 0.92 0.00 0.00 145 E 8.35 3.83 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 146 M 8.44 3.85 0.00 1.66 2.06 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.71 0.00 147 A 7.84 3.86 1.15 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 0.00 148 S 7.93 4.24 0.00 3.84 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 0.00 149 L 8.31 4.01 0.00 1.86 2.03 0.99 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 150 F 8.89 4.47 0.00 3.41 3.16 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 0.00 151 E 8.00 5.08 0.00 2.25 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 152 H 7.83 4.94 0.00 3.38 3.69 0.00 5.71 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 9.07 4.47 0.00 3.32 3.73 0.00 5.96 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 L 7.29 3.94 0.00 1.75 1.62 0.85 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 155 K 7.51 4.12 0.00 1.82 1.69 0.00 1.53 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.27 1.40 7.81