NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.7675 8.0549 120.2807 61.2202 32.6093 174.4301 2 E 4.2856 8.1890 121.7968 53.8834 31.3865 174.0067 3 W 5.1204 8.4321 124.5464 55.6986 31.8416 176.5734 4 T 4.4579 8.9704 113.4488 61.0855 70.8812 175.7694 5 D 4.3937 8.6940 122.3137 57.6403 40.7839 179.1682 6 K 3.9638 8.0502 119.5084 59.5354 32.2195 178.5075 7 E 4.0368 8.4679 118.9082 59.4812 29.3640 179.4400 8 R 3.6604 8.1864 118.1244 59.3449 30.0707 179.1109 9 S 4.0586 8.1314 112.7899 61.3632 62.4278 176.2123 10 I 3.6969 8.0458 122.8318 64.4549 36.8442 178.4998 11 I 3.8142 7.9348 120.8304 64.4852 36.8994 178.5171 12 S 4.1315 8.2413 114.1366 61.1308 62.0794 175.5488 13 D 4.3246 8.3524 121.0521 57.4827 40.8361 178.0172 14 I 3.5538 8.0171 119.4843 64.7476 37.3341 178.1562 15 F 4.0670 8.3925 118.3252 59.9664 38.5704 178.0077 16 S 4.2485 8.2792 113.1730 60.7288 62.9556 175.1382 17 H 4.6759 7.6249 117.2534 54.6962 29.5984 174.7649 18 M 3.7136 7.0649 121.9978 55.4996 32.4662 175.9531 19 D 4.6950 8.2651 125.4029 53.2866 41.3445 176.2476 20 Y 3.9890 8.5618 125.7706 60.8181 37.8996 177.4531 21 D 4.5000 8.0611 118.1447 55.9116 40.7207 177.1781 22 D 4.6359 7.8245 118.0340 56.4111 42.1103 178.1052 23 I 3.7885 7.9773 120.7510 64.0694 37.0531 178.7818 24 G 3.6079 8.3698 106.7819 47.5504 0.0000 174.1452 25 P 4.3130 0.0000 0.0000 64.8506 31.4097 178.8878 26 K 3.9087 7.8100 116.6323 59.3875 31.9660 179.2982 27 A 3.9989 8.2394 121.2058 54.9879 18.2760 179.5321 28 L 3.9364 7.9108 118.8472 58.2872 42.2510 179.1435 29 S 4.0477 8.2926 115.4755 61.6388 62.7843 176.6161 30 R 3.7925 7.9972 121.1883 59.5377 29.6954 178.0023 31 C 4.1121 8.1439 118.2800 62.6840 31.6637 175.6745 32 L 3.9683 8.0751 121.6168 56.6894 40.8408 179.2618 33 I 3.8556 7.1834 118.8623 63.4956 37.6545 177.8783 34 V 3.5410 7.9463 118.1894 64.2035 32.8115 175.7323 35 Y 3.8804 7.4614 115.4453 54.6300 38.0815 174.3589 36 P 4.8452 0.0000 0.0000 64.2225 32.0234 178.1104 37 W 4.4126 8.0534 115.3967 59.0583 28.0741 177.6914 38 T 4.1525 7.6424 110.7744 63.7679 68.1859 175.9059 39 Q 4.4425 8.1452 121.2394 57.7114 28.4514 177.6893 40 R 3.7541 7.5415 120.4316 59.8031 29.9721 176.9578 41 H 4.1946 7.3355 111.1397 56.7434 29.1395 175.6016 42 F 4.4963 7.7622 118.9608 56.8071 39.1260 177.5837 43 S 4.1713 8.3804 118.0198 60.8199 62.5977 175.1269 44 G 4.1840 8.1093 107.9011 45.4904 0.0000 173.9723 45 F 4.4668 8.7296 117.6056 57.4757 40.1099 177.4484 46 G 4.0583 8.1089 107.3003 45.3008 0.0000 173.8939 47 N 4.7126 8.6230 122.0165 53.2141 38.7783 174.8392 48 L 4.7143 8.3934 120.4351 54.6620 43.9562 177.0831 49 Y 4.2969 7.4094 116.1386 57.8895 38.7197 174.6169 50 N 4.8313 7.1381 117.8167 50.9433 41.7375 174.9932 51 A 3.9319 8.3987 121.6754 55.2201 18.3798 179.3262 52 E 3.7893 8.0869 117.1820 59.2483 29.5339 178.7852 53 A 3.8253 8.0511 120.1271 55.0509 18.6859 179.3695 54 I 3.7528 7.6445 118.2811 64.6820 36.9785 178.8055 55 I 3.8546 7.8600 119.7020 63.7343 36.9038 177.6989 56 G 4.1069 7.7116 104.1803 43.4608 0.0000 172.7366 57 N 4.6044 7.6373 120.9200 52.0557 39.2740 175.8302 58 A 4.0862 8.4687 128.4909 54.8730 18.5203 178.8312 59 N 4.0295 8.1033 115.1523 56.2637 38.5342 177.5094 60 V 3.7494 8.6072 119.9424 65.8038 31.5696 177.8833 61 A 3.9491 8.0195 120.3464 55.2350 18.4051 179.3394 62 A 3.9523 8.0328 119.2222 55.7506 18.3547 179.3286 63 H 4.4391 8.4442 116.7191 58.8631 29.9736 177.5043 64 G 3.7951 8.3802 108.0789 48.0911 0.0000 175.6922 65 I 3.8742 7.8136 122.3524 63.7410 36.8912 178.4342 66 K 3.9516 7.7466 119.0177 59.6780 32.4648 178.6087 67 V 3.8022 8.1530 118.8981 65.9434 31.4016 177.7673 68 L 4.1478 8.2610 120.0587 58.6029 42.0905 178.5996 69 H 4.8534 8.7925 115.8854 58.1986 28.3587 177.4902 70 G 3.8692 7.9403 106.5769 46.7284 0.0000 175.2603 71 L 4.6354 8.1995 122.4903 56.7640 41.5229 178.8530 72 D 4.3155 8.3272 119.9181 57.1636 40.4950 178.7020 73 R 3.9981 8.0733 115.5581 59.1709 29.5698 178.6696 74 G 3.9984 8.2817 106.3858 47.4342 0.0000 175.8438 75 V 3.3139 7.8498 119.2832 65.4724 31.4758 177.2895 76 K 4.3119 7.4986 115.5999 56.6926 33.1506 176.2782 77 N 5.1537 8.0362 117.4419 52.6298 39.4950 176.2222 78 M 4.2057 8.2156 118.4821 58.1719 32.5267 177.6311 79 D 5.0373 8.1491 115.8734 54.2353 41.5033 175.6576 80 N 5.1672 8.4297 118.9100 52.7071 39.9462 176.7912 81 I 3.9243 8.2907 119.4675 63.9317 37.1082 177.3737 82 A 4.0362 8.0593 120.0134 55.2962 18.6764 179.1080 83 A 4.1166 8.0099 118.7288 55.5942 18.2983 179.8207 84 T 3.8105 7.9754 113.5339 66.3629 68.6161 175.4494 85 Y 4.3785 7.9411 116.4024 57.8554 38.0102 177.2395 86 A 4.0714 7.8742 124.1433 55.4406 18.3944 180.0029 87 D 4.3005 8.0144 116.9146 57.3876 40.9322 178.6462 88 L 4.0596 7.9975 119.1207 57.8031 41.6147 179.4256 89 S 4.2942 8.4045 113.2870 61.8860 62.3696 176.3219 90 T 3.7624 8.1383 118.6161 66.3733 68.1349 176.2507 91 L 3.8874 8.2277 122.4904 58.7264 42.1523 178.9037 92 H 4.2046 8.5640 116.1802 58.6610 28.6096 177.9091 93 S 3.4391 7.8299 114.9771 61.1701 61.9732 175.8063 94 E 4.1384 7.9583 119.4778 57.8893 29.6744 178.0885 95 K 4.2174 7.6965 116.4388 57.8324 33.3302 177.9712 96 L 4.2529 7.6688 117.1880 54.2922 42.1990 176.4400 97 H 4.2130 7.2972 112.9617 56.5298 26.8557 174.7781 98 V 3.7317 7.8495 118.9304 61.8290 32.1517 175.0139 99 D 4.2956 8.7112 127.1367 53.7730 41.4339 174.9406 100 P 3.1648 0.0000 0.0000 64.2008 31.9539 177.7735 101 D 4.2763 8.4506 119.4212 57.3654 40.9351 177.6653 102 N 4.4080 8.0778 116.9603 55.9256 38.3584 177.2445 103 F 4.5017 7.4636 119.6704 60.5948 38.9490 177.7623 104 K 4.0401 7.9960 117.9552 59.2077 31.8337 179.5534 105 L 3.7608 7.6455 118.9061 57.6670 41.5883 179.0664 106 L 4.0580 8.1199 120.3225 58.2111 41.9605 179.0005 107 S 4.1900 8.3381 115.2353 61.9968 62.8178 176.5923 108 D 4.4794 8.2920 121.3022 57.3839 40.4334 178.6769 109 C 4.2437 8.2569 117.5224 62.7029 28.0464 176.0227 110 I 3.7410 8.2762 121.8936 64.7745 36.6545 178.5105 111 T 4.0852 8.2857 116.5552 66.9645 68.3366 176.7877 112 I 3.6777 7.9722 121.6463 64.1558 37.1211 178.7084 113 V 3.5191 8.0267 119.5246 65.5885 31.2891 177.8463 114 L 3.6061 8.0322 120.3729 57.8668 41.7536 178.7579 115 A 3.1554 7.4777 120.7047 54.7868 17.9902 179.4871 116 A 3.8203 7.4494 118.1231 55.0336 18.5206 179.5230 117 K 3.9405 7.6636 116.9497 60.0360 32.7151 178.7772 118 M 4.1485 8.4574 119.2393 55.9607 32.2616 177.7206 119 G 3.7301 8.7940 108.2540 46.4421 0.0000 176.5470 120 H 4.1412 9.0918 122.2786 58.6779 29.7364 175.9235 121 A 4.1317 7.6901 120.3268 53.8272 18.7640 177.9583 122 F 4.4533 8.0496 120.6830 57.0864 37.7481 175.1267 123 T 4.1182 7.3084 116.1060 60.4566 71.3484 175.2291 124 A 3.8840 8.3162 122.3345 55.4883 18.3323 179.7004 125 E 3.8771 8.0229 116.4771 59.6416 29.4916 179.5566 126 T 3.7558 7.6182 115.6537 66.5862 68.4695 176.3774 127 Q 3.6043 7.8243 121.8975 58.8761 28.9171 178.6720 128 G 3.5704 8.2121 106.6931 47.8469 0.0000 175.5573 129 A 4.2041 8.1404 123.8152 54.7042 18.2994 179.5615 130 F 4.3672 8.6192 119.2957 61.8168 39.5410 177.5274 131 Q 4.0088 8.8487 118.1361 58.6094 28.4184 178.7107 132 K 3.9639 8.4127 121.1073 59.3418 32.3105 178.4920 133 F 4.4994 8.6164 120.9451 61.6825 39.3653 177.1096 134 L 3.6268 8.1979 118.5250 57.6317 41.2431 179.4702 135 A 4.0935 8.1895 120.8927 54.9055 18.2313 179.9062 136 V 3.4361 7.6998 117.0926 65.8749 31.4972 178.5175 137 V 2.9837 7.2981 118.0571 65.7316 31.3540 178.1864 138 V 3.2899 7.9387 118.3237 65.7998 31.0807 177.8787 139 S 4.0006 7.9884 111.9682 61.4166 62.6983 175.6711 140 A 4.1207 7.9446 123.4026 55.2345 17.8461 179.6323 141 L 3.9962 7.8121 116.9122 57.1739 41.7205 178.9705 142 G 3.9321 7.7750 103.4507 45.1950 0.0000 175.5085 143 K 4.1440 7.8607 121.6812 58.8510 32.2787 177.1237 144 Q 4.5125 8.1024 116.1123 55.7414 28.7787 174.9296 145 Y 4.1564 8.0411 117.8873 57.9491 38.0538 175.5307 146 H 4.5534 8.2941 119.8104 55.7952 28.7948 173.1015 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 V 8.05 3.77 1.68 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 0.73 0.00 0.00 -0.57 0.00 0.00 2 E 8.19 4.29 0.00 1.91 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 2.14 2.33 0.00 3 W 8.43 5.12 0.00 3.33 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 4 T 8.97 4.46 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 1.27 0.00 0.00 5 D 8.69 4.39 0.00 2.82 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 6 K 8.05 3.96 0.00 1.89 1.84 0.00 1.62 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.61 7.81 7 E 8.47 4.04 0.00 2.52 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 2.53 2.50 0.00 8 R 8.19 3.66 0.00 2.00 1.90 0.00 3.14 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.87 0.00 9 S 8.13 4.06 0.00 3.89 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 10 I 8.05 3.70 2.02 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 1.51 0.48 0.93 0.00 0.00 11 I 7.93 3.81 1.60 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 1.51 0.57 0.34 0.00 0.00 12 S 8.24 4.13 0.00 3.82 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 13 D 8.35 4.32 0.00 2.95 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 14 I 8.02 3.55 1.93 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.73 0.22 0.00 0.00 15 F 8.39 4.07 0.00 3.06 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.28 4.25 0.00 4.01 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 17 H 7.62 4.68 0.00 3.04 3.31 0.00 5.66 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 18 M 7.06 3.71 0.00 1.54 1.59 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.00 0.00 19 D 8.27 4.70 0.00 2.73 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 20 Y 8.56 3.99 0.00 3.08 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 21 D 8.06 4.50 0.00 2.85 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 22 D 7.82 4.64 0.00 2.76 2.75 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 23 I 7.98 3.79 1.73 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.49 0.81 0.00 0.00 24 G 8.37 3.61 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 0.00 25 P 0.00 4.31 0.00 2.17 2.11 0.00 3.75 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 26 K 7.81 3.91 0.00 1.97 1.82 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.52 7.81 27 A 8.24 4.00 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 28 L 7.91 3.94 0.00 1.82 1.66 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.29 4.05 0.00 3.92 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 30 R 8.00 3.79 0.00 1.96 2.06 0.00 3.07 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 31 C 8.14 4.11 0.00 3.21 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 32 L 8.08 3.97 0.00 1.80 1.67 0.77 0.80 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 33 I 7.18 3.86 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.53 0.82 0.00 0.00 34 V 7.95 3.54 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 -0.11 0.00 0.00 0.76 0.00 0.00 35 Y 7.46 3.88 0.00 2.65 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 36 P 0.00 4.85 0.00 2.22 2.10 0.00 3.78 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 37 W 8.05 4.41 0.00 3.57 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.64 4.15 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 0.99 0.00 0.00 39 Q 8.15 4.44 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.73 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 40 R 7.54 3.75 0.00 1.85 1.71 0.00 3.22 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.52 0.00 41 H 7.34 4.19 0.00 1.70 2.72 0.00 5.71 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.76 4.50 0.00 2.82 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 0.00 0.00 0.00 43 S 8.38 4.17 0.00 4.01 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 44 G 8.11 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 45 F 8.73 4.47 0.00 3.24 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 46 G 8.11 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.62 4.71 0.00 2.75 2.66 0.00 0.00 6.50 7.85 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 48 L 8.39 4.71 0.00 1.69 1.59 1.06 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 7.41 4.30 0.00 3.07 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 50 N 7.14 4.83 0.00 2.88 3.08 0.00 0.00 6.77 7.08 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 51 A 8.40 3.93 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 52 E 8.09 3.79 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 2.31 2.34 0.00 53 A 8.05 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.64 3.75 1.93 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.80 0.86 0.00 0.00 55 I 7.86 3.85 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.53 0.88 0.00 0.00 56 G 7.71 4.11 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 0.00 0.00 0.00 57 N 7.64 4.60 0.00 2.94 2.84 0.00 0.00 7.10 8.44 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 58 A 8.47 4.09 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 59 N 8.10 4.03 0.00 2.45 1.63 0.00 0.00 6.80 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 60 V 8.61 3.75 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 1.04 0.00 0.00 1.06 0.00 0.00 61 A 8.02 3.95 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 62 A 8.03 3.95 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 63 H 8.44 4.44 0.00 3.65 3.47 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.38 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 65 I 7.81 3.87 2.06 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 1.69 0.74 1.03 0.00 0.00 66 K 7.75 3.95 0.00 1.83 1.98 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.49 7.81 67 V 8.15 3.80 2.22 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 1.05 0.00 0.00 0.99 0.00 0.00 68 L 8.26 4.15 0.00 2.07 2.02 1.05 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.79 4.85 0.00 3.35 3.30 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.94 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 71 L 8.20 4.64 0.00 2.14 2.03 1.33 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.33 4.32 0.00 2.79 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.07 4.00 0.00 1.78 1.95 0.00 2.21 0.00 0.00 2.83 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.90 0.00 74 G 8.28 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 75 V 7.85 3.31 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 0.66 0.00 0.00 -0.28 0.00 0.00 76 K 7.50 4.31 0.00 1.82 1.80 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.40 1.52 7.81 77 N 8.04 5.15 0.00 2.85 2.74 0.00 0.00 6.88 7.74 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 78 M 8.22 4.21 0.00 1.55 2.02 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 2.25 2.61 0.00 79 D 8.15 5.04 0.00 2.75 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 80 N 8.43 5.17 0.00 2.76 2.71 0.00 0.00 7.20 8.52 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 81 I 8.29 3.92 2.00 0.00 0.00 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 1.79 0.82 0.99 0.00 0.00 82 A 8.06 4.04 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 83 A 8.01 4.12 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.98 3.81 4.39 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 0.91 0.00 0.00 85 Y 7.94 4.38 0.00 2.98 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 86 A 7.87 4.07 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 87 D 8.01 4.30 0.00 2.69 2.72 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 88 L 8.00 4.06 0.00 1.94 1.86 1.03 0.94 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 89 S 8.40 4.29 0.00 4.17 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 T 8.14 3.76 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 91 L 8.23 3.89 0.00 1.74 1.87 0.90 1.19 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 92 H 8.56 4.20 0.00 3.72 3.79 0.00 5.86 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 7.83 3.44 0.00 2.72 3.24 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 0.00 94 E 7.96 4.14 0.00 1.98 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 2.18 2.28 0.00 95 K 7.70 4.22 0.00 1.81 1.80 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.42 7.81 96 L 7.67 4.25 0.00 1.77 1.64 0.74 1.16 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 97 H 7.30 4.21 0.00 3.40 3.39 0.00 5.65 0.00 0.00 0.00 0.00 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.85 3.73 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 0.39 0.00 0.00 0.70 0.00 0.00 99 D 8.71 4.30 0.00 2.70 2.67 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 0.00 100 P 0.00 3.16 0.00 1.99 1.59 0.00 3.46 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.89 0.00 101 D 8.45 4.28 0.00 2.70 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 0.00 102 N 8.08 4.41 0.00 2.71 2.82 0.00 0.00 6.89 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 0.00 103 F 7.46 4.50 0.00 3.12 2.91 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 0.00 104 K 8.00 4.04 0.00 2.02 1.83 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.49 7.81 105 L 7.65 3.76 0.00 1.66 1.09 0.96 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.12 4.06 0.00 1.86 1.78 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.34 4.19 0.00 4.17 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 0.00 108 D 8.29 4.48 0.00 2.95 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 0.00 109 C 8.26 4.24 0.00 3.22 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 0.00 110 I 8.28 3.74 2.16 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.96 1.19 0.00 0.00 111 T 8.29 4.09 4.58 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 1.54 0.00 0.00 112 I 7.97 3.68 1.93 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 1.42 0.80 0.88 0.00 0.00 113 V 8.03 3.52 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 0.91 0.00 0.00 0.93 0.00 0.00 114 L 8.03 3.61 0.00 1.44 1.22 0.54 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.48 3.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 7.45 3.82 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 0.00 117 K 7.66 3.94 0.00 1.63 1.82 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.41 7.81 118 M 8.46 4.15 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 119 G 8.79 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 0.00 120 H 9.09 4.14 0.00 3.08 3.40 0.00 5.93 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 0.00 121 A 7.69 4.13 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 0.00 122 F 8.05 4.45 0.00 2.81 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 0.00 123 T 7.31 4.12 4.15 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 1.21 0.00 0.00 124 A 8.32 3.88 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 0.00 125 E 8.02 3.88 0.00 1.97 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 2.39 2.37 0.00 126 T 7.62 3.76 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 1.05 0.00 0.00 127 Q 7.82 3.60 0.00 1.48 2.06 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 2.43 2.63 0.00 128 G 8.21 3.57 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 0.00 129 A 8.14 4.20 1.49 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 0.00 0.00 130 F 8.62 4.37 0.00 3.31 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 0.00 131 Q 8.85 4.01 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.56 2.78 0.00 132 K 8.41 3.96 0.00 2.00 2.30 0.00 1.62 0.00 0.00 1.83 0.00 0.00 2.13 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.50 1.37 7.81 133 F 8.62 4.50 0.00 3.22 3.24 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 0.00 134 L 8.20 3.63 0.00 1.55 1.55 0.74 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.19 4.09 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 0.00 136 V 7.70 3.44 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 1.00 0.00 0.00 0.92 0.00 0.00 137 V 7.30 2.98 1.61 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 0.12 0.00 0.00 0.06 0.00 0.00 138 V 7.94 3.29 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 0.97 0.00 0.00 0.94 0.00 0.00 139 S 7.99 4.00 0.00 3.88 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 0.00 140 A 7.94 4.12 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 0.00 141 L 7.81 4.00 0.00 1.14 0.67 0.09 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 142 G 7.78 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 0.00 0.00 0.00 143 K 7.86 4.14 0.00 2.01 1.98 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.50 7.81 144 Q 8.10 4.51 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.66 0.00 0.00 0.00 0.00 0.00 2.41 2.67 0.00 145 Y 8.04 4.16 0.00 2.99 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 0.00 146 H 8.29 4.55 0.00 3.22 3.24 0.00 5.56 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00