NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4804 8.3049 120.3305 55.5282 33.0176 174.3705 2 M 4.4918 8.5588 123.6811 52.8785 34.5085 170.2959 3 V 4.3924 8.2888 121.9386 60.7207 34.3275 174.1638 4 W 4.6038 8.9666 135.0000 57.6626 31.1839 175.1716 5 T 4.2852 8.0785 123.6741 61.2121 67.1145 172.7634 6 P 4.5125 0.0000 0.0000 63.3705 32.2593 175.7163 7 V 4.0667 7.3713 119.7454 62.7263 32.5756 175.2507 8 N 4.2146 8.5978 124.9369 54.9689 36.1593 173.7138 9 N 4.8065 7.6704 109.1445 52.9669 40.0606 174.2020 10 K 4.1662 8.2138 115.8015 56.4955 32.7709 176.3700 11 M 5.0871 8.3347 120.1355 53.9063 35.8098 175.1721 12 F 4.6104 8.4253 116.4296 57.2366 40.9605 176.2852 13 E 3.5100 8.3141 122.1587 57.0932 27.8732 175.2757 14 T 3.8464 8.3575 121.5977 66.4933 68.9696 174.2795 15 F 4.5220 9.0087 124.1845 57.6059 36.6824 176.2974 16 S 4.5008 8.2144 114.6616 60.1924 63.0293 174.4044 17 Y 4.4291 8.2771 117.5991 58.0878 38.0996 174.9517 18 L 4.7242 7.5892 120.2483 52.0276 43.8462 174.4174 19 P 4.4419 0.0000 0.0000 61.9449 31.7411 175.0401 20 P 4.2977 0.0000 0.0000 62.7481 31.7785 176.4522 21 L 3.9639 8.3123 122.6833 54.7848 42.1463 177.9864 22 T 4.2236 8.1902 114.0415 61.1812 71.0948 175.2868 23 D 4.3254 8.5180 120.8477 57.5762 40.7572 178.7590 24 E 3.9333 8.0740 119.3390 59.2404 29.7053 178.7534 25 Q 3.9195 8.0370 118.3216 58.6667 28.6516 178.6050 26 I 3.6491 7.9821 120.8235 64.3802 37.1392 178.0809 27 A 4.0054 8.1903 121.4532 55.3712 18.1299 179.5182 28 A 3.9586 8.0416 119.0119 55.4679 18.4728 179.8993 29 Q 4.0908 8.0978 116.5754 59.0962 28.7820 179.2200 30 V 3.7387 8.3000 119.5733 66.1574 31.5754 177.6896 31 D 4.4335 8.5398 119.0345 57.6465 40.5189 178.2604 32 Y 4.1839 8.1471 119.9386 60.7012 38.8256 178.1297 33 I 3.9289 7.9553 120.6911 64.5916 37.3122 178.6641 34 V 3.5464 7.9011 118.7584 65.8891 31.1660 177.9179 35 A 3.9309 8.1518 119.8864 54.5396 18.2519 178.3546 36 N 4.0907 7.0978 112.6069 52.2207 38.7446 175.8643 37 G 3.7752 7.2626 108.2611 45.9291 0.0000 174.0047 38 W 4.9391 7.4979 118.8811 56.1761 30.5974 176.1906 39 I 4.3848 9.0705 123.1283 59.5471 37.8824 174.0429 40 P 4.9018 0.0000 0.0000 62.9217 32.7218 175.1718 41 C 4.9888 8.8451 121.4459 58.4175 35.5661 172.4512 42 L 5.3309 8.7380 123.7636 53.2294 44.4778 175.1943 43 E 5.6145 9.1721 120.8304 54.9462 34.1759 174.5442 44 F 5.6311 9.0587 116.0372 55.9953 42.1869 172.9934 45 A 4.4585 8.3042 119.5270 50.3546 22.7189 176.3571 46 E 4.2867 8.6249 119.2024 55.7658 30.3292 177.7519 47 A 4.3182 8.7518 122.5546 55.7641 18.4701 179.8002 48 D 4.5234 8.1457 113.6046 56.4183 41.0818 177.2005 49 K 4.6099 7.8284 116.9537 56.0468 32.4866 176.8309 50 A 3.9207 7.5970 123.9653 53.7338 18.9787 178.2648 51 Y 4.6926 7.4380 111.4529 55.5676 40.2352 175.7434 52 V 3.8344 8.3625 122.4618 63.8989 32.0766 175.2585 53 S 4.7413 8.7386 119.2065 57.6490 66.2256 173.7301 54 N 5.1063 8.5904 114.4082 52.5303 39.3286 176.1902 55 E 3.9337 8.3458 118.9260 59.8631 29.3050 179.0791 56 S 4.1115 8.6528 114.9480 60.3888 62.9229 175.9556 57 A 2.5800 7.6433 123.4593 53.5702 17.7339 179.0598 58 I 3.5726 6.8520 115.7059 63.8230 38.0318 177.1759 59 R 4.2507 7.4656 116.2560 55.8549 30.5118 176.2912 60 F 5.0750 7.1536 118.1484 55.9347 41.3411 177.6086 61 G 4.0693 8.2368 117.5703 46.2901 0.0000 175.7443 62 S 4.6343 8.4453 114.4572 58.6772 62.3090 174.4929 63 V 4.4643 7.3089 107.3663 61.1526 33.1813 177.6773 64 S 4.4768 8.2356 115.2932 59.7272 63.4511 173.1339 65 C 3.9390 8.0998 118.9445 61.3752 27.8170 173.0995 66 L 3.5864 8.4050 123.3202 55.6028 38.8842 173.3268 67 Y 4.3568 7.6836 119.7809 56.0593 39.8105 174.6208 68 Y 4.8896 7.2037 123.4429 56.3061 42.4381 174.7855 69 D 4.4656 8.7698 123.7129 55.5025 41.6038 176.7551 70 N 4.5201 8.8842 116.5441 54.2824 35.9505 176.0806 71 R 3.9537 7.9902 118.7569 59.3134 30.3798 177.1879 72 Y 4.3485 7.6263 114.6457 58.0185 38.3230 175.4167 73 W 5.0485 8.6759 124.4668 55.5000 32.5619 174.5760 74 T 4.3027 8.1155 117.2661 62.5372 69.4085 174.7003 75 M 4.5858 8.5782 126.7382 55.4483 33.2078 175.1587 76 W 4.9027 9.4409 135.0000 55.8727 31.3134 176.8620 77 K 3.3673 8.4733 128.9176 57.7007 30.6226 177.4722 78 L 4.9196 8.1991 125.5529 52.6394 44.9144 174.0416 79 P 4.2474 0.0000 0.0000 63.4643 32.1408 177.6147 80 M 4.3049 8.6284 123.4610 53.7688 30.4220 175.4840 81 F 4.4769 7.4588 119.1286 58.6503 40.0382 176.5282 82 G 4.0041 9.1075 112.3242 45.5971 0.0000 173.1790 83 C 4.2901 7.8270 120.4837 59.6745 31.7902 173.1728 84 R 4.5702 8.6304 124.0330 55.5094 31.4824 174.4254 85 D 4.7829 7.8653 118.0069 51.3318 42.8914 174.4218 86 P 4.3573 0.0000 0.0000 65.8972 31.2105 178.5522 87 M 4.1146 8.1957 117.2584 58.2323 31.8214 178.4700 88 Q 3.9654 8.0144 119.4272 59.0946 29.2373 178.5577 89 V 3.6003 7.7507 118.7092 66.0938 31.7011 177.7564 90 L 4.0253 8.0514 118.6890 58.0058 41.3835 179.8105 91 R 3.9844 8.3566 118.1858 59.2543 29.9626 179.0165 92 E 4.1054 8.2940 118.4819 59.1901 29.4218 179.1220 93 I 3.4876 7.7973 119.9968 64.4230 37.2214 178.3359 94 V 3.4650 7.6755 118.4440 66.0967 31.3561 177.8821 95 A 3.9422 8.0686 120.4063 55.1366 18.2206 179.1443 96 C 2.0000 7.8956 117.5403 62.1095 31.3504 175.9145 97 T 3.6894 7.5763 111.3483 64.5415 67.8656 176.2069 98 K 3.8099 7.7432 121.5331 59.3102 32.3272 178.4619 99 A 3.9828 7.5135 119.8303 53.3950 19.7200 177.6103 100 F 4.7101 7.7167 115.8609 54.9922 39.0229 174.0133 101 P 4.4422 0.0000 0.0000 64.3101 31.8761 177.9391 102 D 4.6460 8.0765 116.6562 53.8706 41.1067 175.4434 103 A 4.7351 7.3021 121.1400 50.3195 21.5199 176.9050 104 Y 4.2084 8.5902 117.8207 57.7677 39.4339 175.2053 105 V 5.1878 8.8932 123.4059 61.0913 35.0898 174.3235 106 R 5.0014 9.4706 123.8729 54.2730 33.0430 173.7991 107 L 4.8676 8.0447 123.4522 53.8293 43.9437 175.6593 108 V 4.7701 8.6022 118.2495 59.4777 36.3813 174.1860 109 A 4.9810 8.0713 121.6087 50.4178 22.9296 175.1396 110 F 5.2330 9.0765 119.4698 55.7027 42.6834 174.0792 111 D 5.4140 8.7475 122.5969 52.7369 42.4472 176.5402 112 N 4.7609 9.1472 122.9096 54.0690 38.4126 176.3109 113 Q 4.1827 8.5720 118.6170 58.8284 28.9916 177.4533 114 K 4.0589 8.2625 114.6391 56.6631 33.1118 176.3654 115 Q 3.4358 7.9587 118.7236 55.9331 27.1224 172.8060 116 V 4.5130 7.7679 117.0082 60.0168 35.0523 174.2226 117 Q 4.3964 8.7760 123.5743 56.6072 29.2680 175.5536 118 I 4.2543 8.2784 124.5847 61.0360 39.7835 174.5052 119 M 4.6599 6.7726 117.3780 54.5464 34.4864 173.7864 120 G 4.7865 8.2972 105.9589 47.0586 0.0000 172.3951 121 F 5.0204 7.0954 116.5053 55.3452 41.0657 172.8520 122 L 4.4761 8.8577 123.0403 55.5650 42.0697 176.8033 123 V 4.5126 8.8872 118.2382 61.4610 33.9057 175.6239 124 Q 4.6107 7.7605 121.1939 54.5759 32.3398 173.0653 125 R 4.3924 8.0894 121.8250 52.9024 32.7382 173.6385 126 P 4.1786 0.0000 0.0000 62.8332 31.6829 177.6641 127 K 4.0861 8.4803 119.9688 59.1197 32.1549 178.0266 128 S 4.4409 7.9363 110.9543 58.1975 63.5455 174.0540 129 A 4.2448 7.9838 127.8997 53.4563 18.3950 178.2821 130 R 4.6560 8.8580 119.5467 55.9236 31.2990 172.4632 131 D 5.0491 8.4442 116.9358 53.5673 39.7654 175.6683 132 W 5.6226 7.6196 114.1922 54.2281 31.3046 174.0132 133 Q 4.3220 8.4291 118.2197 52.9613 30.7891 174.1642 134 P 4.5060 0.0000 0.0000 62.4313 31.8387 176.9097 135 A 3.9837 8.9796 123.4101 55.6771 18.1597 179.3523 136 N 4.5787 8.0793 109.6244 54.1550 37.8378 175.5883 137 K 4.4317 7.7621 117.6872 56.3508 32.7178 177.3203 138 R 3.6443 7.4938 120.4851 57.5860 30.2194 176.6186 139 S 5.0657 7.4814 110.3830 56.3142 66.0538 174.2514 140 V 3.9869 8.4541 114.4814 61.7417 32.1492 175.6142 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 8.30 4.48 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 2 M 8.56 4.49 0.00 2.04 2.06 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 2.56 2.63 0.00 3 V 8.29 4.39 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 1.09 0.00 0.00 0.97 0.00 0.00 4 W 8.97 4.60 0.00 3.46 3.03 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 5 T 8.08 4.29 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 1.00 0.00 0.00 6 P 0.00 4.51 0.00 2.23 2.19 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 7 V 7.37 4.07 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 0.77 0.00 0.00 0.90 0.00 0.00 8 N 8.60 4.21 0.00 2.98 2.89 0.00 0.00 6.53 6.92 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 9 N 7.67 4.81 0.00 2.65 2.72 0.00 0.00 7.29 6.68 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 10 K 8.21 4.17 0.00 1.96 1.47 0.00 0.62 0.00 0.00 1.07 0.00 0.00 2.65 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.35 1.47 7.81 11 M 8.33 5.09 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.68 0.00 12 F 8.43 4.61 0.00 3.11 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 13 E 8.31 3.51 0.00 2.15 1.75 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 2.21 2.14 0.00 14 T 8.36 3.85 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 0.24 0.00 0.00 15 F 9.01 4.52 0.00 3.29 3.14 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 0.00 0.00 0.00 0.00 16 S 8.21 4.50 0.00 4.14 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 17 Y 8.28 4.43 0.00 3.03 3.19 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 18 L 7.59 4.72 0.00 1.86 1.63 0.93 1.00 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 19 P 0.00 4.44 0.00 2.04 2.01 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 2.04 2.14 0.00 20 P 0.00 4.30 0.00 2.05 2.00 0.00 3.73 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 2.12 2.21 0.00 21 L 8.31 3.96 0.00 1.57 1.48 0.31 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.19 4.22 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 23 D 8.52 4.33 0.00 2.70 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.07 3.93 0.00 2.01 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 0.00 2.35 2.38 0.00 25 Q 8.04 3.92 0.00 2.28 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 26 I 7.98 3.65 2.05 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 1.58 0.81 1.07 0.00 0.00 27 A 8.19 4.01 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 28 A 8.04 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 8.10 4.09 0.00 2.47 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.31 1.83 0.00 30 V 8.30 3.74 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 1.14 0.00 0.00 1.12 0.00 0.00 31 D 8.54 4.43 0.00 2.96 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 32 Y 8.15 4.18 0.00 3.23 3.34 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 33 I 7.96 3.93 2.17 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.06 1.06 0.00 0.00 34 V 7.90 3.55 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 1.02 0.00 0.00 1.01 0.00 0.00 35 A 8.15 3.93 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 36 N 7.10 4.09 0.00 1.44 1.42 0.00 0.00 7.03 7.52 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 37 G 7.26 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 38 W 7.50 4.94 0.00 3.37 3.08 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 39 I 9.07 4.38 2.12 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.89 0.77 0.00 0.00 40 P 0.00 4.90 0.00 2.09 1.99 0.00 3.81 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 41 C 8.85 4.99 0.00 3.09 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 42 L 8.74 5.33 0.00 1.86 1.63 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.17 5.61 0.00 2.05 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 0.00 2.36 2.32 0.00 44 F 9.06 5.63 0.00 3.05 3.03 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 45 A 8.30 4.46 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.62 4.29 0.00 2.18 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 2.30 2.29 0.00 47 A 8.75 4.32 1.48 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 48 D 8.15 4.52 0.00 2.70 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 49 K 7.83 4.61 0.00 1.53 1.70 0.00 1.70 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.42 7.81 50 A 7.60 3.92 0.65 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 0.00 0.00 51 Y 7.44 4.69 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 52 V 8.36 3.83 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 0.60 0.00 0.00 0.77 0.00 0.00 53 S 8.74 4.74 0.00 4.08 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 54 N 8.59 5.11 0.00 2.76 2.84 0.00 0.00 6.57 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 55 E 8.35 3.93 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 56 S 8.65 4.11 0.00 4.03 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 57 A 7.64 2.58 1.09 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 58 I 6.85 3.57 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.81 0.86 0.00 0.00 59 R 7.47 4.25 0.00 1.95 2.02 0.00 3.20 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 60 F 7.15 5.08 0.00 3.02 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 61 G 8.24 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 0.00 0.00 0.00 0.00 62 S 8.45 4.63 0.00 3.86 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 63 V 7.31 4.46 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 0.67 0.00 0.00 0.50 0.00 0.00 64 S 8.24 4.48 0.00 4.10 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 0.00 65 C 8.10 3.94 0.00 2.97 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 66 L 8.40 3.59 0.00 1.79 1.78 0.94 0.99 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 67 Y 7.68 4.36 0.00 2.97 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 68 Y 7.20 4.89 0.00 2.81 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 69 D 8.77 4.47 0.00 2.81 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 70 N 8.88 4.52 0.00 3.05 3.24 0.00 0.00 6.99 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 71 R 7.99 3.95 0.00 1.51 1.66 0.00 3.08 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 72 Y 7.63 4.35 0.00 3.07 2.90 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 73 W 8.68 5.05 0.00 3.09 3.20 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 74 T 8.12 4.30 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 0.90 0.00 0.00 75 M 8.58 4.59 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.77 0.00 76 W 9.44 4.90 0.00 3.72 3.30 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 77 K 8.47 3.37 0.00 1.70 0.91 0.00 1.71 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.78 0.21 7.81 78 L 8.20 4.92 0.00 1.61 1.60 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.25 0.00 0.65 1.82 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.13 0.00 80 M 8.63 4.30 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 81 F 7.46 4.48 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 82 G 9.11 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 0.00 0.00 0.00 83 C 7.83 4.29 0.00 3.04 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 84 R 8.63 4.57 0.00 1.80 1.86 0.00 3.22 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.81 0.00 85 D 7.87 4.78 0.00 2.72 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 86 P 0.00 4.36 0.00 2.22 2.12 0.00 3.67 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 87 M 8.20 4.11 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.70 0.00 88 Q 8.01 3.97 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 89 V 7.75 3.60 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 1.05 0.00 0.00 0.97 0.00 0.00 90 L 8.05 4.03 0.00 1.90 1.72 0.94 0.83 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 91 R 8.36 3.98 0.00 2.03 2.02 0.00 3.15 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 92 E 8.29 4.11 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.66 0.00 93 I 7.80 3.49 2.00 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 1.35 0.74 0.85 0.00 0.00 94 V 7.68 3.47 2.19 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 0.97 0.00 0.00 0.96 0.00 0.00 95 A 8.07 3.94 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 96 C 7.90 2.00 0.00 1.23 2.37 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 97 T 7.58 3.69 4.28 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 1.13 0.00 0.00 98 K 7.74 3.81 0.00 1.80 1.93 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.38 7.81 99 A 7.51 3.98 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 100 F 7.72 4.71 0.00 2.78 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 0.00 101 P 0.00 4.44 0.00 2.12 2.11 0.00 3.25 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.87 0.00 102 D 8.08 4.65 0.00 2.69 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 0.00 103 A 7.30 4.74 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 0.00 104 Y 8.59 4.21 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 0.00 105 V 8.89 5.19 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 0.99 0.00 0.00 0.87 0.00 0.00 106 R 9.47 5.00 0.00 1.82 1.91 0.00 2.31 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 1.43 1.33 0.00 107 L 8.04 4.87 0.00 1.52 0.75 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.60 4.77 1.62 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 0.43 0.00 0.00 0.48 0.00 0.00 109 A 8.07 4.98 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 0.00 110 F 9.08 5.23 0.00 2.97 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 0.00 111 D 8.75 5.41 0.00 2.42 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 0.00 112 N 9.15 4.76 0.00 2.93 3.04 0.00 0.00 6.33 7.39 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 0.00 113 Q 8.57 4.18 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.99 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 114 K 8.26 4.06 0.00 1.76 1.86 0.00 2.04 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.45 7.81 115 Q 7.96 3.44 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 116 V 7.77 4.51 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 0.56 0.00 0.00 0.91 0.00 0.00 117 Q 8.78 4.40 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.17 1.86 0.00 118 I 8.28 4.25 1.26 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 0.39 -0.59 0.00 0.00 119 M 6.77 4.66 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.58 0.00 120 G 8.30 4.79 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 0.00 121 F 7.10 5.02 0.00 3.22 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 0.00 122 L 8.86 4.48 0.00 1.64 1.62 0.64 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.89 4.51 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 0.75 0.00 0.00 0.92 0.00 0.00 124 Q 7.76 4.61 0.00 1.99 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.21 0.00 125 R 8.09 4.39 0.00 1.16 1.47 0.00 2.21 0.00 0.00 2.65 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.22 0.00 126 P 0.00 4.18 0.00 2.10 2.16 0.00 2.20 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.53 0.00 127 K 8.48 4.09 0.00 2.02 1.93 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.00 7.81 128 S 7.94 4.44 0.00 4.00 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 0.00 129 A 7.98 4.24 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.86 4.66 0.00 1.79 1.76 0.00 3.25 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 131 D 8.44 5.05 0.00 2.93 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 0.00 132 W 7.62 5.62 0.00 3.67 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 0.00 133 Q 8.43 4.32 0.00 1.88 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.04 0.00 0.00 0.00 0.00 0.00 2.31 2.03 0.00 134 P 0.00 4.51 0.00 2.32 2.10 0.00 3.39 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.76 0.00 135 A 8.98 3.98 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 136 N 8.08 4.58 0.00 2.83 2.95 0.00 0.00 5.86 7.13 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 0.00 137 K 7.76 4.43 0.00 1.84 1.68 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.24 7.81 138 R 7.49 3.64 0.00 1.50 0.66 0.00 3.02 0.00 0.00 3.02 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.67 0.00 139 S 7.48 5.07 0.00 4.08 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 0.00 140 V 8.45 3.99 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 0.60 0.00 0.00 0.94 0.00 0.00