NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.6179 8.0544 120.3634 62.6815 31.8916 174.9644 2 Q 4.0542 8.1427 130.0688 53.6594 28.2027 173.2349 3 W 4.3911 8.2337 126.1700 56.3543 30.4522 176.5491 4 S 4.6123 9.0818 117.9010 56.9544 64.3378 175.4152 5 A 4.0139 8.3091 122.2978 55.3533 18.4102 179.7001 6 E 4.2202 8.0881 112.1189 57.9688 30.3271 178.3685 7 E 4.2088 7.9203 120.1992 59.0237 29.5627 178.3237 8 K 3.8325 7.8781 117.8979 58.6439 32.4898 179.0830 9 Q 3.8490 7.9037 119.8450 59.3351 29.0278 179.5947 10 L 4.0997 7.7240 119.1973 57.5535 41.8366 178.9106 11 I 3.8818 7.4380 119.6911 65.0235 37.1146 178.3731 12 S 4.5355 8.4435 114.4802 60.8848 62.8811 176.4120 13 G 4.0619 7.9895 109.6087 46.1302 0.0000 174.4491 14 L 4.3305 8.3892 122.4607 56.7293 42.2977 177.6762 15 W 4.7013 8.7902 128.8230 61.1895 30.3578 178.0032 16 G 4.2937 7.7906 103.4606 47.6874 0.0000 174.6358 17 K 4.3616 7.9464 117.6396 55.2961 32.8632 177.2669 18 V 3.6797 8.2081 120.8032 62.7056 32.0709 175.5886 19 N 4.5282 8.2588 125.3488 51.6686 38.1982 175.2048 20 V 3.5058 8.1030 125.4782 65.7725 32.3261 178.2668 21 A 3.9666 8.0236 120.9187 55.5098 18.0261 178.8468 22 D 4.2529 7.9789 116.9611 57.6859 40.8579 178.3613 23 C 4.0546 8.2539 117.0956 63.1206 27.8098 176.8410 24 G 4.1767 8.1159 107.6566 47.3146 0.0000 175.3351 25 A 4.2254 8.6104 123.0503 54.2471 18.2099 179.0891 26 E 3.9858 8.0384 117.4311 58.6026 29.6610 178.5907 27 A 4.0568 7.9273 120.6302 55.6421 18.5702 179.5759 28 L 4.0217 8.0050 117.7503 58.2518 42.0601 178.8443 29 A 4.0653 7.8547 120.5790 55.0353 18.2022 179.8247 30 R 3.9321 10.2112 116.2434 58.7942 30.0790 179.0284 31 L 4.3008 8.3088 120.8603 58.3396 42.0828 178.8504 32 L 4.0254 8.1219 118.8916 57.8072 41.2887 179.7199 33 I 3.8872 7.2549 118.5986 63.8839 37.4462 178.0911 34 V 3.7274 8.3620 118.7997 64.6730 31.7410 175.6891 35 Y 3.9400 7.5894 120.7929 54.9521 38.9499 174.7315 36 P 4.4951 0.0000 0.0000 64.5721 31.4670 178.5557 37 W 4.2954 8.1663 115.4098 59.8425 27.4229 177.8007 38 T 4.2089 6.7852 107.9681 63.5576 67.6558 175.6738 39 Q 4.3067 8.2091 121.4166 57.6419 28.5082 177.8184 40 R 3.6965 7.6718 120.2495 59.1044 30.1144 177.6998 41 F 4.3485 6.9419 114.1755 58.2672 39.1909 176.2490 42 F 4.3655 7.0912 116.0127 56.7793 39.6076 176.9352 43 A 3.8830 8.1212 127.3661 55.3991 18.0825 180.6290 44 S 4.3272 7.9353 108.6489 60.7458 63.0522 175.0683 45 F 4.8107 8.7298 119.5980 58.2106 39.8898 176.8326 46 G 3.9848 7.9423 109.3158 45.3052 0.0000 175.8714 47 N 4.4463 8.8549 126.8580 53.8803 38.5343 174.3793 48 L 4.9568 8.2391 128.9798 54.5996 42.9037 177.5952 49 S 4.5977 8.0261 112.9075 59.0659 64.1628 174.6214 50 S 4.6569 7.7787 115.4973 55.4595 66.7610 172.7245 51 P 4.1604 0.0000 0.0000 66.6321 31.3405 178.2975 52 T 3.7704 8.1851 113.2244 66.9426 68.1606 175.9282 53 A 4.0696 8.4406 122.5341 55.6140 18.8188 179.6282 54 I 3.9143 7.9808 118.0838 64.4648 37.2564 178.3425 55 L 4.3144 7.8170 117.1602 56.4058 41.4270 178.4628 56 G 4.0288 7.3555 103.5676 44.1371 0.0000 173.7117 57 N 4.3601 7.5101 120.5875 53.2021 39.3116 173.6598 58 P 4.4374 0.0000 0.0000 65.6451 31.6850 177.5351 59 M 3.8890 7.9551 119.6246 56.8491 31.7466 178.0826 60 V 3.3145 7.1972 117.5402 66.2608 31.7215 178.2729 61 R 3.9532 7.5030 116.0891 59.4166 30.1031 177.8776 62 A 4.0499 7.9279 120.6664 55.5865 18.4204 179.0026 63 H 4.0363 8.8518 117.1817 59.3442 29.7066 177.3692 64 G 4.0321 8.9025 110.0422 47.1828 0.0000 175.4905 65 K 3.9482 8.2674 122.0542 59.0900 32.1134 178.6498 66 K 4.2473 7.8256 116.6464 58.7915 33.1328 178.6497 67 V 3.7518 7.7034 120.4312 65.9259 31.4270 176.5142 68 L 4.7319 7.8053 119.3678 56.7639 42.4096 178.6498 69 T 4.4159 7.7911 115.1784 67.4715 68.3582 176.6432 70 S 4.7929 8.1389 116.5492 60.8849 62.4129 176.2049 71 F 4.2671 8.5083 120.3159 60.1556 38.5548 177.6392 72 G 2.7701 7.8581 105.6643 47.6159 0.0000 175.5400 73 D 4.2537 7.9807 120.4574 56.5733 40.4992 178.7269 74 A 3.8980 7.2162 121.1501 54.9697 18.5046 179.5608 75 V 3.2571 7.0615 115.4449 66.0466 31.6854 178.3249 76 K 4.0851 7.8611 116.7775 57.9947 33.3192 176.8680 77 N 4.8825 7.4207 116.6153 51.4584 38.5059 174.6949 78 L 4.1360 7.7087 115.2004 55.9613 41.9834 177.7219 79 D 4.9997 8.3167 118.9498 54.2427 43.2172 176.0616 80 N 5.1006 7.7134 117.5247 52.8189 39.7588 175.9815 81 I 3.8317 7.9595 121.9474 64.4269 37.6021 177.9980 82 K 4.0837 8.1904 117.3676 59.5692 32.2885 177.6489 83 N 4.6291 7.9766 117.1979 55.7302 39.1445 176.9429 84 T 3.5221 7.6887 116.4759 65.4880 68.6650 174.7833 85 F 4.8372 7.5276 117.1601 57.0529 40.2164 176.2360 86 A 4.1334 9.1057 127.4677 55.4660 18.5479 180.3799 87 Q 3.9884 8.2790 116.5820 59.3923 29.1240 178.3659 88 L 4.2303 7.8711 115.9594 56.5527 42.1774 178.3035 89 S 4.4718 7.8809 112.8833 59.8561 62.2496 175.6462 90 E 3.8888 7.8864 121.7280 59.4986 29.3534 178.1550 91 L 3.9090 7.9639 119.7448 58.9377 42.0908 178.7279 92 H 4.2801 8.0590 113.3539 57.7484 28.3094 176.6573 93 C 4.5314 7.0792 115.8309 60.2286 29.6660 175.0310 94 D 4.5289 8.4692 117.6318 54.1328 41.0599 176.6493 95 K 4.3417 7.6325 117.4916 57.7510 34.0959 176.8036 96 L 4.2138 8.0850 116.5233 55.0871 42.6075 176.3964 97 H 4.0852 7.9688 114.2637 56.7172 25.5682 174.3361 98 V 4.1314 7.9087 117.7998 60.4384 33.4389 174.8432 99 D 4.1278 8.5220 126.8418 53.6076 41.8510 174.7337 100 P 3.0580 0.0000 0.0000 65.5667 31.4330 178.0473 101 E 3.7611 8.8267 118.0408 58.7266 29.0492 177.7591 102 N 4.7493 7.8307 115.0760 54.1729 39.4378 176.8140 103 F 4.6783 7.7009 120.1121 60.0913 38.9305 177.6007 104 R 4.1444 7.9269 118.2789 59.0074 30.0457 178.0249 105 L 3.9188 7.4628 117.8136 57.9867 41.7109 179.1815 106 L 4.1866 7.7799 118.8169 58.3184 41.5379 179.3769 107 G 3.7104 7.8245 104.4002 47.7229 0.0000 175.5699 108 D 4.5065 8.5597 121.0021 56.5398 40.6734 178.3459 109 I 4.1460 7.8311 120.0711 62.9929 37.4042 177.8270 110 L 3.9443 7.7849 121.7494 58.1634 41.9098 179.0482 111 I 3.6817 7.5198 119.5116 64.2516 37.0786 178.4995 112 I 3.7250 7.4527 119.4598 64.0133 36.7127 178.6853 113 V 3.6158 7.4355 119.3237 65.7984 31.4446 178.0692 114 L 3.8130 8.0973 118.9616 57.5855 41.3107 179.4845 115 A 3.6353 7.4493 120.2862 54.8312 18.1675 179.1552 116 A 3.8911 7.4976 118.0412 55.9441 18.3990 179.4614 117 H 4.1756 7.7943 113.0610 58.8111 29.0949 177.2775 118 F 4.3471 8.2499 117.7425 56.7561 39.3478 177.3682 119 T 3.6780 8.4276 110.6698 61.8135 71.2555 176.7270 120 K 4.1452 8.7848 121.3766 58.6285 32.0540 177.3066 121 E 4.1073 8.4407 119.9789 59.1680 29.8454 177.6958 122 F 4.4334 7.9547 121.6259 57.7752 37.2861 174.4068 123 T 4.1552 7.7304 114.4654 60.5307 70.3265 175.0403 124 P 4.1089 0.0000 0.0000 65.7661 31.4755 178.2649 125 E 3.8967 8.2438 116.8921 59.6868 29.5307 178.4988 126 C 3.7090 8.2303 118.7777 62.7249 31.3631 175.4609 127 Q 3.9478 7.4755 119.7908 59.0850 28.6102 177.9665 128 A 3.9995 8.5000 121.7342 55.2014 18.5095 179.2004 129 A 4.0118 7.9840 119.0371 55.5104 18.3526 179.8776 130 W 4.1601 8.3015 115.9301 58.9167 29.0650 178.3595 131 Q 4.1907 8.5582 120.1353 58.4266 28.4594 177.5000 132 K 4.0091 8.1390 120.7049 58.8315 32.1240 178.5896 133 L 4.1996 7.8506 120.9704 58.3828 42.1625 179.3009 134 V 3.9843 7.7388 112.1591 64.2832 31.5282 178.6536 135 R 4.0158 7.9208 118.9560 59.8068 29.9229 177.7485 136 V 3.7211 7.8737 118.8725 64.4255 31.4579 178.0356 137 V 3.1550 8.3040 116.6950 66.0485 31.5120 178.2361 138 A 3.8885 7.8650 120.0959 55.5857 18.5509 178.8468 139 H 4.1787 8.0793 115.8868 59.4752 29.8671 177.3129 140 A 4.0682 8.2569 120.9714 54.5468 18.1686 178.6875 141 L 3.8137 7.4113 117.7959 56.8490 41.7212 177.7087 142 A 4.8038 8.0921 120.1726 52.8424 19.3770 179.0094 143 R 4.2291 7.9454 113.9174 58.7600 29.4718 177.3297 144 K 4.3711 7.6225 116.8837 56.7938 32.3695 176.1958 145 Y 4.2555 9.5746 115.7162 59.1532 38.7159 175.5335 146 H 4.5729 7.7091 121.5718 55.8468 29.3454 173.3906 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 3.62 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.63 0.00 0.00 2 Q 8.14 4.05 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 3 W 8.23 4.39 0.00 3.27 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 4 S 9.08 4.61 0.00 4.06 4.14 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 5 A 8.31 4.01 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 6 E 8.09 4.22 0.00 2.14 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 0.00 2.38 2.29 0.00 7 E 7.92 4.21 0.00 2.38 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 2.40 2.42 0.00 8 K 7.88 3.83 0.00 1.75 1.60 0.00 1.64 0.00 0.00 1.39 0.00 0.00 2.33 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.05 1.62 7.81 9 Q 7.90 3.85 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 10 L 7.72 4.10 0.00 1.97 1.75 0.98 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.44 3.88 1.64 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.68 0.25 0.00 0.00 12 S 8.44 4.54 0.00 4.15 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 13 G 7.99 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 14 L 8.39 4.33 0.00 1.76 1.82 0.43 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.79 4.70 0.00 3.80 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 16 G 7.79 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 0.00 0.00 0.00 0.00 17 K 7.95 4.36 0.00 2.16 2.15 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.35 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.53 7.81 18 V 8.21 3.68 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 0.47 0.00 0.00 0.85 0.00 0.00 19 N 8.26 4.53 0.00 2.67 2.58 0.00 0.00 6.79 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 20 V 8.10 3.51 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.74 0.00 0.00 21 A 8.02 3.97 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 22 D 7.98 4.25 0.00 2.70 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 23 C 8.25 4.05 0.00 3.09 2.96 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 24 G 8.12 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 25 A 8.61 4.23 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 26 E 8.04 3.99 0.00 2.18 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 2.33 2.33 0.00 27 A 7.93 4.06 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 28 L 8.01 4.02 0.00 1.83 1.70 1.01 0.93 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 29 A 7.85 4.07 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 0.00 0.00 30 R 10.21 3.93 0.00 2.08 2.00 0.00 3.15 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 31 L 8.31 4.30 0.00 2.06 1.94 1.05 0.66 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 32 L 8.12 4.03 0.00 1.81 1.79 1.12 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.25 3.89 1.84 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 0.52 0.87 0.00 0.00 34 V 8.36 3.73 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 0.29 0.00 0.00 0.87 0.00 0.00 35 Y 7.59 3.94 0.00 2.20 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 36 P 0.00 4.50 0.00 2.23 2.10 0.00 3.81 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 2.17 1.95 0.00 37 W 8.17 4.30 0.00 3.53 3.53 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 38 T 6.79 4.21 4.36 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 0.95 0.00 0.00 39 Q 8.21 4.31 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.83 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 40 R 7.67 3.70 0.00 1.61 1.12 0.00 3.04 0.00 0.00 2.81 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.42 0.00 41 F 6.94 4.35 0.00 2.03 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.09 4.37 0.00 2.98 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.12 3.88 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 44 S 7.94 4.33 0.00 4.10 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 45 F 8.73 4.81 0.00 3.22 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 46 G 7.94 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 0.00 0.00 0.00 47 N 8.85 4.45 0.00 2.72 2.81 0.00 0.00 6.59 7.78 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 48 L 8.24 4.96 0.00 1.68 1.66 1.11 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.03 4.60 0.00 4.00 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 50 S 7.78 4.66 0.00 4.02 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.16 0.00 2.17 2.15 0.00 3.62 0.00 0.00 3.77 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 52 T 8.19 3.77 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 53 A 8.44 4.07 1.38 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 54 I 7.98 3.91 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.09 0.95 0.00 0.00 55 L 7.82 4.31 0.00 1.63 1.72 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.36 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 0.00 0.00 0.00 57 N 7.51 4.36 0.00 2.82 2.72 0.00 0.00 6.82 7.36 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 58 P 0.00 4.44 0.00 2.25 2.24 0.00 3.71 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 2.02 2.02 0.00 59 M 7.96 3.89 0.00 1.25 1.74 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 2.61 2.45 0.00 60 V 7.20 3.31 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.04 0.00 0.00 61 R 7.50 3.95 0.00 1.84 2.09 0.00 3.29 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 62 A 7.93 4.05 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 63 H 8.85 4.04 0.00 3.02 3.14 0.00 5.82 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 8.90 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 0.00 0.00 0.00 65 K 8.27 3.95 0.00 1.79 1.95 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.45 7.81 66 K 7.83 4.25 0.00 1.97 1.91 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.30 7.81 67 V 7.70 3.75 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 1.25 0.00 0.00 1.07 0.00 0.00 68 L 7.81 4.73 0.00 1.97 1.85 1.35 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.79 4.42 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 1.31 0.00 0.00 70 S 8.14 4.79 0.00 4.03 4.14 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 71 F 8.51 4.27 0.00 3.40 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 72 G 7.86 2.77 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 73 D 7.98 4.25 0.00 2.61 2.53 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 74 A 7.22 3.90 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 75 V 7.06 3.26 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 0.50 0.00 0.00 0.48 0.00 0.00 76 K 7.86 4.09 0.00 1.67 1.82 0.00 1.87 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.49 7.81 77 N 7.42 4.88 0.00 2.66 2.57 0.00 0.00 7.04 6.54 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 78 L 7.71 4.14 0.00 1.15 0.51 -0.09 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.32 5.00 0.00 2.64 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 80 N 7.71 5.10 0.00 2.75 2.67 0.00 0.00 7.25 7.89 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 81 I 7.96 3.83 1.98 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.06 1.10 0.00 0.00 82 K 8.19 4.08 0.00 1.95 2.00 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.57 7.81 83 N 7.98 4.63 0.00 3.03 2.84 0.00 0.00 7.14 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 84 T 7.69 3.52 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 0.78 0.00 0.00 85 F 7.53 4.84 0.00 3.24 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 86 A 9.11 4.13 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 87 Q 8.28 3.99 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 88 L 7.87 4.23 0.00 1.90 1.83 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.88 4.47 0.00 4.09 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 90 E 7.89 3.89 0.00 2.25 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 91 L 7.96 3.91 0.00 1.75 1.70 0.90 1.01 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 92 H 8.06 4.28 0.00 3.33 3.57 0.00 5.82 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 93 C 7.08 4.53 0.00 3.01 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 94 D 8.47 4.53 0.00 2.61 2.63 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 0.00 0.00 0.00 0.00 95 K 7.63 4.34 0.00 1.65 1.79 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.47 7.81 96 L 8.09 4.21 0.00 1.59 1.59 0.82 1.46 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 97 H 7.97 4.09 0.00 3.43 3.43 0.00 5.67 0.00 0.00 0.00 0.00 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.91 4.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.34 0.00 0.00 99 D 8.52 4.13 0.00 2.63 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 3.06 0.00 1.91 1.87 0.00 3.25 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.40 0.00 101 E 8.83 3.76 0.00 1.90 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 2.23 2.35 0.00 102 N 7.83 4.75 0.00 2.68 2.85 0.00 0.00 6.85 7.70 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 0.00 103 F 7.70 4.68 0.00 3.01 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 0.00 104 R 7.93 4.14 0.00 1.88 1.91 0.00 3.35 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 105 L 7.46 3.92 0.00 1.75 1.51 0.29 0.17 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 0.00 106 L 7.78 4.19 0.00 1.95 1.87 1.08 1.27 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 0.00 107 G 7.82 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.56 4.51 0.00 2.91 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 0.00 109 I 7.83 4.15 2.15 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 1.00 0.00 0.00 110 L 7.78 3.94 0.00 1.80 1.75 0.86 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.52 3.68 1.91 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.06 1.03 0.00 0.00 112 I 7.45 3.73 1.87 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 1.42 1.33 0.90 0.00 0.00 113 V 7.44 3.62 2.21 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 1.07 0.00 0.00 0.97 0.00 0.00 114 L 8.10 3.81 0.00 1.04 0.86 0.21 0.57 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 0.00 115 A 7.45 3.64 1.10 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 0.00 0.00 116 A 7.50 3.89 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 0.00 117 H 7.79 4.18 0.00 3.31 3.09 0.00 5.84 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 0.00 118 F 8.25 4.35 0.00 3.12 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 0.00 119 T 8.43 3.68 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 1.20 0.00 0.00 120 K 8.78 4.15 0.00 1.81 1.96 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.46 7.81 121 E 8.44 4.11 0.00 2.05 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.35 0.00 122 F 7.95 4.43 0.00 3.01 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 0.00 123 T 7.73 4.16 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 1.31 0.00 0.00 124 P 0.00 4.11 0.00 2.18 2.14 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.25 0.00 125 E 8.24 3.90 0.00 2.02 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 2.40 2.44 0.00 126 C 8.23 3.71 0.00 2.65 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 0.00 0.00 0.00 127 Q 7.48 3.95 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.65 0.00 0.00 0.00 0.00 0.00 2.62 2.85 0.00 128 A 8.50 4.00 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 0.00 129 A 7.98 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 0.00 130 W 8.30 4.16 0.00 3.67 3.53 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 0.00 131 Q 8.56 4.19 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 132 K 8.14 4.01 0.00 1.85 2.08 0.00 1.46 0.00 0.00 1.63 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.17 7.81 133 L 7.85 4.20 0.00 1.58 1.76 0.84 -0.00 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 0.00 134 V 7.74 3.98 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 1.09 0.00 0.00 135 R 7.92 4.02 0.00 2.00 1.93 0.00 3.09 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 136 V 7.87 3.72 2.36 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 0.89 0.00 0.00 0.82 0.00 0.00 137 V 8.30 3.15 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 -0.17 0.00 0.00 0.96 0.00 0.00 138 A 7.87 3.89 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 H 8.08 4.18 0.00 3.39 3.49 0.00 5.60 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 0.00 140 A 8.26 4.07 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 0.00 141 L 7.41 3.81 0.00 1.41 1.16 0.38 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.09 4.80 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 0.00 143 R 7.95 4.23 0.00 2.04 2.26 0.00 3.05 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.71 0.00 144 K 7.62 4.37 0.00 1.80 1.96 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.36 7.81 145 Y 9.57 4.26 0.00 2.98 2.82 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 0.00 146 H 7.71 4.57 0.00 3.15 3.17 0.00 5.69 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