NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3845 8.3044 120.3481 54.7173 33.6647 174.4686 2 E 3.9523 8.5595 123.2292 55.9587 30.5142 173.9042 3 K 5.2339 8.8983 126.0468 54.7661 35.4611 174.9450 4 S 4.7934 9.0148 117.5020 56.5092 66.8003 172.3061 5 F 5.3214 8.8996 127.6485 57.0330 40.8645 174.3689 6 I 4.3406 8.1435 127.3203 59.4395 40.1799 174.3645 7 M 4.6881 8.1481 126.2565 53.3776 35.3221 174.2659 8 I 4.3756 8.3298 127.9665 60.8250 38.4181 176.2889 9 K 4.4061 9.3137 127.8196 55.4588 33.2014 176.7386 10 P 4.9711 0.0000 0.0000 65.4275 30.6715 178.7795 11 D 4.5550 8.2768 117.4474 56.0958 39.3690 178.7782 12 G 3.5645 8.0489 107.4638 47.7662 0.0000 175.9872 13 V 3.6408 7.6867 120.3604 65.6583 31.4020 178.0113 14 Q 4.0470 8.0952 117.2444 58.7364 28.6823 178.0464 15 R 4.2791 7.6977 115.5670 55.1578 31.2208 176.2713 16 G 3.7963 7.6984 106.1995 47.1641 0.0000 174.3500 17 L 4.4077 7.8061 115.4823 54.2274 43.0755 179.4285 18 V 3.6574 7.7232 119.5621 65.9866 31.4428 177.6813 19 G 3.7733 8.0797 104.6205 48.3533 0.0000 174.9010 20 T 3.9214 7.9938 118.3234 66.4236 68.3603 176.3042 21 I 3.8255 8.0554 121.3888 64.4984 37.1589 178.4090 22 I 3.8354 7.9531 120.5123 64.5600 36.9722 178.0530 23 K 3.9388 8.7012 120.5548 60.1142 32.0325 178.7140 24 R 3.8808 7.9738 117.7295 59.2970 29.7461 179.0700 25 F 3.8815 7.9597 117.3390 59.9900 38.7058 177.7416 26 E 4.4464 8.7910 118.7749 59.7291 29.2060 179.7067 27 K 4.0660 8.1738 116.6845 58.8079 32.1435 178.8537 28 K 4.1058 7.4854 117.9244 57.4784 32.1052 177.4801 29 G 3.9099 8.1707 106.9364 45.7529 0.0000 172.8150 30 Y 4.9484 7.3761 115.1174 56.7813 40.0365 175.2287 31 K 4.6396 9.2943 122.9344 54.6092 34.0844 174.9351 32 L 3.2885 8.3689 131.0112 54.5684 41.9868 176.2127 33 I 4.7101 8.2663 118.4460 60.8405 40.3626 175.0558 34 A 4.7952 7.2579 123.5816 50.7799 22.3691 174.8656 35 I 5.1964 8.1594 120.6493 59.8928 41.5048 173.8986 36 K 4.5477 8.9922 127.5457 55.7277 36.1780 173.4510 37 M 5.2098 8.6631 127.2546 53.8872 33.7959 174.6734 38 L 4.6169 8.6371 124.7085 54.7924 44.6681 174.6410 39 N 5.0116 8.6176 118.5350 51.0219 39.2240 173.0706 40 P 4.2448 0.0000 0.0000 62.7146 32.2136 176.4993 41 T 4.2086 8.2495 117.3765 61.6193 69.3994 174.6685 42 E 3.8924 8.8233 126.2514 59.8439 29.0547 179.6123 43 E 3.8787 8.0460 117.6953 59.5270 29.5807 179.1920 44 I 3.3270 7.4056 118.8767 64.4493 37.1561 178.4956 45 L 4.1536 7.6811 119.4985 57.6430 41.1563 179.7670 46 K 4.2814 8.0616 117.9468 59.1051 32.0142 178.6582 47 E 4.2470 7.5261 117.6554 58.8367 29.7455 178.0103 48 H 4.2648 8.3948 118.0821 58.6442 30.4133 176.6904 49 Y 4.9369 7.9725 118.7373 57.6367 37.9579 177.7710 50 K 4.1286 8.0727 122.0740 59.0620 32.9490 176.9847 51 E 4.1252 8.1610 117.7302 57.6014 29.8655 176.4815 52 L 4.5572 7.2401 117.1154 54.9835 41.9285 177.8432 53 S 3.0126 7.5700 117.4970 61.3622 63.2514 175.1943 54 D 4.7096 7.5331 119.5492 53.7778 40.0489 176.3070 55 Q 4.6200 7.3053 116.0346 53.5195 33.3786 174.0161 56 P 4.4240 0.0000 0.0000 65.5741 31.4304 177.3559 57 F 4.6745 8.1494 119.9458 55.9469 38.2697 174.5224 58 F 5.0107 8.3049 126.9133 58.7761 41.4620 177.5429 59 K 3.8273 7.8612 119.4751 58.9743 31.8929 178.6159 60 N 4.1265 7.7660 116.0688 55.1076 38.5318 177.0801 61 L 3.9444 7.6092 121.7033 58.3466 42.2835 179.1876 62 V 3.7330 7.4962 111.1648 63.2421 31.1360 177.6959 63 A 4.3009 7.3373 119.9837 53.5034 19.3028 178.8364 64 Y 4.2506 7.8827 118.3652 61.2258 38.7882 177.9674 65 I 3.4875 7.3527 119.1752 64.0681 37.3094 178.1353 66 S 4.7498 7.6752 114.4247 60.7572 62.2147 174.6665 67 K 4.2123 7.6707 121.7329 57.2223 31.9201 177.7508 68 G 3.7895 7.3167 110.0986 44.8343 0.0000 170.7432 69 P 4.6409 0.0000 0.0000 62.4284 33.3325 175.3775 70 V 4.7792 8.2466 120.2464 61.3179 35.5726 174.2417 71 V 4.3381 8.3934 127.4832 61.2400 32.9584 174.1507 72 A 4.5696 8.8939 131.4302 51.6181 20.1472 175.9428 73 M 5.3787 8.7660 120.2600 53.6920 37.4233 174.2721 74 V 4.9298 8.4459 120.8673 60.9648 34.6128 174.3890 75 W 5.1482 9.0230 126.9419 54.8037 32.6966 174.1369 76 E 5.1063 10.6428 123.7103 53.9227 32.5766 174.9147 77 G 4.9456 8.4054 114.2459 43.6443 0.0000 172.8206 78 V 3.5214 8.1772 120.5127 64.6740 32.4267 175.5806 79 D 4.5479 8.9458 126.1743 55.3900 39.9323 174.5438 80 M 3.7605 8.0645 120.0512 58.6652 32.7529 176.7971 81 V 3.5725 7.7851 117.8618 66.0069 31.6877 178.1152 82 K 3.9806 7.9762 117.5702 59.7826 32.0069 179.3532 83 Q 4.1579 8.1641 117.8798 58.5025 28.6099 178.9868 84 G 3.5983 8.2070 107.0818 47.8967 0.0000 175.8735 85 R 3.9554 7.9871 121.0111 58.8188 29.8553 179.1066 86 K 3.9355 8.0622 118.5705 59.5725 32.5205 178.6631 87 L 3.9793 8.2658 119.6210 57.3870 41.3793 179.6860 88 I 3.7826 7.6606 120.0765 64.8045 37.2962 175.4730 89 G 3.8424 8.2903 102.5150 43.9396 0.0000 172.6840 90 E 4.2368 8.3023 118.0316 56.2697 30.1188 177.8291 91 T 3.9221 8.4841 116.9203 66.5740 68.8130 174.7174 92 N 4.6457 7.9905 121.5078 51.8560 38.9437 173.6013 93 P 5.0435 0.0000 0.0000 64.0012 31.7349 177.6439 94 L 4.2031 8.0492 118.2395 57.0511 41.8804 177.7581 95 T 4.2880 7.5677 106.3441 61.8836 69.6477 175.1352 96 S 4.3514 7.7170 118.4745 57.6949 63.7204 173.5882 97 N 4.7171 8.4897 121.1062 53.1228 39.0850 174.7372 98 T 3.9251 8.0540 111.3102 62.7713 69.6829 173.5579 99 G 4.0422 8.7858 112.1465 46.2821 0.0000 175.2155 100 T 4.2965 7.3306 108.7474 60.7250 71.1478 175.6380 101 I 3.6846 8.1828 123.0753 65.0754 37.3275 179.1977 102 R 4.1408 8.2422 118.6635 58.9233 29.6927 178.8859 103 G 3.7572 7.7828 103.1772 46.1978 0.0000 174.5896 104 D 4.4143 7.4017 119.5331 54.7593 41.6683 177.0380 105 F 5.1612 7.9700 114.8712 56.9539 41.2375 174.7034 106 C 5.1079 7.9461 116.9033 57.8769 31.0461 173.6033 107 L 4.6605 8.4839 118.9125 54.6481 44.2787 176.8289 108 E 4.7413 7.8412 118.4367 53.7323 32.0871 176.9088 109 V 3.7625 8.4142 124.8278 64.4629 31.8057 177.4324 110 S 4.2805 8.1011 114.5777 60.2521 62.6024 173.9241 111 K 4.7270 7.7795 119.3068 54.0986 31.6756 175.5251 112 N 5.0003 8.0908 120.6046 52.3774 38.5047 179.0656 113 V 3.4002 8.3008 114.7889 62.8762 31.7559 172.7656 114 I 5.1425 8.8425 117.2787 59.4315 41.4331 173.9912 115 H 5.0397 9.4385 127.5101 54.3744 32.3337 173.2245 116 G 4.4534 8.1626 110.7557 44.0685 0.0000 172.4566 117 S 4.6095 8.1658 118.5923 58.5238 62.9073 174.5281 118 D 4.6018 8.9265 123.1191 55.0489 40.2498 176.8597 119 S 4.7126 7.6138 113.4007 55.5134 67.4069 174.6996 120 V 3.5692 8.4579 121.5771 66.3453 30.8779 178.1190 121 A 4.0245 7.9679 119.9161 55.2094 18.2993 179.4117 122 S 4.0819 8.3341 111.5239 61.1929 62.3695 176.2525 123 A 4.0940 8.2738 123.8110 55.4876 18.1148 179.4138 124 N 4.3574 8.2093 114.9318 56.1186 38.3846 177.6941 125 K 3.9821 7.8260 120.7734 59.6504 32.5045 178.7557 126 E 4.0032 8.3405 118.8429 59.4442 29.2781 179.4338 127 I 3.8798 8.2236 120.2204 64.6372 36.9840 178.2706 128 N 4.3800 7.7418 116.1634 56.2826 38.3963 177.0003 129 I 3.7562 7.3929 119.3502 63.3506 38.1347 177.3399 130 W 4.2027 7.8934 118.3449 56.9053 29.5900 176.5211 131 F 5.1457 7.9925 115.7942 55.3971 42.0089 174.8582 132 K 4.4476 8.7838 122.1626 55.1868 32.9105 178.1626 133 A 4.0849 8.6571 124.4935 55.3077 18.5061 179.9938 134 E 4.0945 8.1926 112.6136 59.2948 29.8169 178.2346 135 E 4.0980 8.1371 118.8561 58.9583 29.7208 176.9295 136 L 4.2283 7.5302 118.5442 55.1186 41.9022 177.0912 137 T 4.5961 8.7520 116.2635 60.3732 70.3264 174.2854 138 Q 4.6903 8.7087 124.1045 54.7104 29.8782 175.0251 139 W 5.2068 8.2956 119.5443 54.5212 31.1809 174.0354 140 K 3.9664 8.6784 121.8016 55.8008 32.0969 175.8275 141 H 4.4941 8.2079 126.9349 55.6111 30.0895 174.9968 142 H 4.2523 9.3958 127.5873 59.6152 29.9794 175.8251 143 M 4.3980 7.8862 116.6870 56.1202 32.4863 177.8456 144 K 3.8575 7.7029 120.2547 59.0413 31.9204 177.8610 145 E 3.7277 8.1320 118.7742 58.6270 29.4495 177.7925 146 W 4.7577 7.9128 115.2994 56.6042 29.5306 176.5817 147 I 4.3299 7.5784 119.8254 61.6176 38.9260 174.8499 148 C 4.8275 7.9011 116.2817 57.2959 31.0200 174.0551 149 S 4.2496 8.3750 113.9729 58.8182 62.8675 174.0979 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 4.38 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.64 0.00 2 E 8.56 3.95 0.00 2.22 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 2.41 2.44 0.00 3 K 8.90 5.23 0.00 1.67 1.70 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.40 7.81 4 S 9.01 4.79 0.00 3.85 3.64 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 5 F 8.90 5.32 0.00 3.24 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 6 I 8.14 4.34 1.57 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.54 0.43 0.00 0.00 7 M 8.15 4.69 0.00 1.58 0.73 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.20 0.00 8 I 8.33 4.38 1.81 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.56 0.94 0.00 0.00 9 K 9.31 4.41 0.00 1.86 1.79 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.55 1.46 7.81 10 P 0.00 4.97 0.00 1.97 1.95 0.00 3.72 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 1.34 1.84 0.00 11 D 8.28 4.55 0.00 2.96 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 12 G 8.05 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 13 V 7.69 3.64 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 1.05 0.00 0.00 1.01 0.00 0.00 14 Q 8.10 4.05 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.66 2.59 0.00 15 R 7.70 4.28 0.00 1.90 1.89 0.00 3.32 0.00 0.00 3.48 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 16 G 7.70 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 17 L 7.81 4.41 0.00 1.74 1.46 0.70 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.72 3.66 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 1.06 0.00 0.00 0.92 0.00 0.00 19 G 8.08 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.99 3.92 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 1.23 0.00 0.00 21 I 8.06 3.83 2.12 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 1.65 1.51 1.03 0.00 0.00 22 I 7.95 3.84 2.13 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 1.57 1.01 1.29 0.00 0.00 23 K 8.70 3.94 0.00 1.96 1.90 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.58 7.81 24 R 7.97 3.88 0.00 2.10 1.75 0.00 3.26 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.93 0.00 25 F 7.96 3.88 0.00 2.31 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.79 4.45 0.00 2.32 2.20 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 2.81 2.95 0.00 27 K 8.17 4.07 0.00 1.72 1.88 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.63 7.81 28 K 7.49 4.11 0.00 1.92 2.04 0.00 1.57 0.00 0.00 1.62 0.00 0.00 3.10 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.25 7.81 29 G 8.17 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 0.00 0.00 0.00 30 Y 7.38 4.95 0.00 3.43 3.35 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 31 K 9.29 4.64 0.00 1.93 1.75 0.00 1.09 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 0.89 7.81 32 L 8.37 3.29 0.00 0.27 0.98 0.25 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.27 4.71 2.03 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.99 0.95 0.00 0.00 34 A 7.26 4.80 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 35 I 8.16 5.20 1.80 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.82 0.85 0.00 0.00 36 K 8.99 4.55 0.00 2.02 1.59 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.72 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.29 1.37 7.81 37 M 8.66 5.21 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 38 L 8.64 4.62 0.00 1.76 1.71 1.03 0.68 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 39 N 8.62 5.01 0.00 2.60 2.84 0.00 0.00 6.98 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 40 P 0.00 4.24 0.00 2.30 2.18 0.00 3.85 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 41 T 8.25 4.21 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 1.08 0.00 0.00 42 E 8.82 3.89 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 43 E 8.05 3.88 0.00 1.86 1.90 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 2.35 2.29 0.00 44 I 7.41 3.33 1.44 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.28 -0.88 0.00 0.00 45 L 7.68 4.15 0.00 1.70 1.86 1.09 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.06 4.28 0.00 1.97 1.95 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.52 7.81 47 E 7.53 4.25 0.00 2.00 1.88 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 2.27 2.28 0.00 48 H 8.39 4.26 0.00 2.94 3.19 0.00 5.92 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 49 Y 7.97 4.94 0.00 3.59 3.25 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 50 K 8.07 4.13 0.00 1.96 1.85 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.46 7.81 51 E 8.16 4.13 0.00 1.99 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 0.00 2.29 2.33 0.00 52 L 7.24 4.56 0.00 1.85 1.56 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.57 3.01 0.00 3.65 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 54 D 7.53 4.71 0.00 2.59 2.62 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 55 Q 7.31 4.62 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.01 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 56 P 0.00 4.42 0.00 2.19 2.25 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 57 F 8.15 4.67 0.00 2.91 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 58 F 8.30 5.01 0.00 3.11 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 59 K 7.86 3.83 0.00 1.66 1.67 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.39 7.81 60 N 7.77 4.13 0.00 2.59 2.84 0.00 0.00 6.80 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 61 L 7.61 3.94 0.00 1.69 1.55 0.83 0.25 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 62 V 7.50 3.73 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 0.31 0.00 0.00 0.81 0.00 0.00 63 A 7.34 4.30 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 64 Y 7.88 4.25 0.00 3.11 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 65 I 7.35 3.49 2.00 0.00 0.00 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 1.22 0.69 1.05 0.00 0.00 66 S 7.68 4.75 0.00 3.99 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 67 K 7.67 4.21 0.00 1.95 1.89 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.51 7.81 68 G 7.32 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 69 P 0.00 4.64 0.00 2.11 2.17 0.00 3.61 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 70 V 8.25 4.78 2.23 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 0.80 0.00 0.00 0.90 0.00 0.00 71 V 8.39 4.34 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 0.89 0.00 0.00 0.92 0.00 0.00 72 A 8.89 4.57 1.12 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 0.00 0.00 73 M 8.77 5.38 0.00 1.99 2.08 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 2.54 2.48 0.00 74 V 8.45 4.93 1.69 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 0.96 0.00 0.00 0.48 0.00 0.00 75 W 9.02 5.15 0.00 3.16 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 76 E 10.64 5.11 0.00 1.95 1.76 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 2.20 2.22 0.00 77 G 8.41 4.95 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 0.00 0.00 0.00 78 V 8.18 3.52 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 0.82 0.00 0.00 0.95 0.00 0.00 79 D 8.95 4.55 0.00 2.94 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 80 M 8.06 3.76 0.00 2.14 2.41 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 81 V 7.79 3.57 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 1.00 0.00 0.00 0.96 0.00 0.00 82 K 7.98 3.98 0.00 2.15 1.96 0.00 1.78 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.61 7.81 83 Q 8.16 4.16 0.00 2.35 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.86 2.70 0.00 84 G 8.21 3.60 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 0.00 0.00 0.00 85 R 7.99 3.96 0.00 2.11 2.00 0.00 3.27 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 86 K 8.06 3.94 0.00 1.86 1.96 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.45 7.81 87 L 8.27 3.98 0.00 1.53 1.27 -0.25 0.52 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 88 I 7.66 3.78 2.10 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.17 0.94 0.00 0.00 89 G 8.29 3.84 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 0.00 0.00 0.00 90 E 8.30 4.24 0.00 1.95 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 2.32 2.40 0.00 91 T 8.48 3.92 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 1.27 0.00 0.00 92 N 7.99 4.65 0.00 2.81 2.71 0.00 0.00 7.18 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 93 P 0.00 5.04 0.00 2.13 2.32 0.00 3.79 0.00 0.00 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 94 L 8.05 4.20 0.00 1.64 1.72 1.01 0.91 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 95 T 7.57 4.29 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 96 S 7.72 4.35 0.00 4.01 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 97 N 8.49 4.72 0.00 2.74 2.75 0.00 0.00 6.90 7.05 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 98 T 8.05 3.93 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 1.16 0.00 0.00 99 G 8.79 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 7.33 4.30 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 101 I 8.18 3.68 1.93 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 1.68 1.00 1.12 0.00 0.00 102 R 8.24 4.14 0.00 1.98 2.00 0.00 3.38 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.80 0.00 103 G 7.78 3.76 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 0.00 0.00 0.00 104 D 7.40 4.41 0.00 1.99 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 0.00 0.00 0.00 0.00 105 F 7.97 5.16 0.00 3.17 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 0.00 106 C 7.95 5.11 0.00 3.16 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 0.00 107 L 8.48 4.66 0.00 1.60 1.66 0.94 0.82 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 0.00 108 E 7.84 4.74 0.00 1.96 1.76 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 2.32 2.24 0.00 109 V 8.41 3.76 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 0.76 0.00 0.00 0.97 0.00 0.00 110 S 8.10 4.28 0.00 3.83 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 0.00 111 K 7.78 4.73 0.00 1.80 1.94 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.48 7.81 112 N 8.09 5.00 0.00 2.97 3.04 0.00 0.00 6.18 7.68 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 0.00 113 V 8.30 3.40 2.12 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 1.06 0.00 0.00 1.02 0.00 0.00 114 I 8.84 5.14 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.97 1.03 0.00 0.00 115 H 9.44 5.04 0.00 3.31 3.05 0.00 5.77 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 0.00 116 G 8.16 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.17 4.61 0.00 3.97 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 0.00 118 D 8.93 4.60 0.00 2.81 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 0.00 119 S 7.61 4.71 0.00 4.03 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 0.00 120 V 8.46 3.57 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 1.06 0.00 0.00 0.96 0.00 0.00 121 A 7.97 4.02 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 0.00 122 S 8.33 4.08 0.00 4.02 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 0.00 123 A 8.27 4.09 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 N 8.21 4.36 0.00 2.79 2.91 0.00 0.00 6.75 7.34 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 0.00 125 K 7.83 3.98 0.00 1.98 2.04 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 126 E 8.34 4.00 0.00 2.39 1.79 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 2.50 2.43 0.00 127 I 8.22 3.88 1.94 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 1.64 0.96 0.97 0.00 0.00 128 N 7.74 4.38 0.00 2.91 2.89 0.00 0.00 7.05 7.35 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 0.00 129 I 7.39 3.76 1.70 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 -0.19 0.94 0.00 0.00 130 W 7.89 4.20 0.00 3.18 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 0.00 131 F 7.99 5.15 0.00 3.10 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 0.00 132 K 8.78 4.45 0.00 1.90 1.75 0.00 1.80 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.41 7.81 133 A 8.66 4.08 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 0.00 134 E 8.19 4.09 0.00 2.11 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 2.32 2.37 0.00 135 E 8.14 4.10 0.00 2.36 2.29 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 2.44 2.56 0.00 136 L 7.53 4.23 0.00 1.55 1.59 0.87 0.63 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 0.00 137 T 8.75 4.60 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 1.25 0.00 0.00 138 Q 8.71 4.69 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 139 W 8.30 5.21 0.00 3.54 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 0.00 140 K 8.68 3.97 0.00 1.80 1.85 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.77 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.41 7.81 141 H 8.21 4.49 0.00 2.53 2.96 0.00 5.75 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 H 9.40 4.25 0.00 3.26 3.50 0.00 5.97 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 M 7.89 4.40 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.59 0.00 144 K 7.70 3.86 0.00 1.91 1.74 0.00 1.54 0.00 0.00 1.55 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.45 7.81 145 E 8.13 3.73 0.00 1.83 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 2.00 2.25 0.00 146 W 7.91 4.76 0.00 3.38 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 0.00 147 I 7.58 4.33 1.86 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 1.43 0.72 0.90 0.00 0.00 148 C 7.90 4.83 0.00 3.04 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 0.00 149 S 8.38 4.25 0.00 3.93 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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