NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0094 8.3549 109.7441 45.4304 0.0000 173.0663 2 L 4.5133 8.2824 125.2468 50.4958 44.5032 175.6536 3 S 4.5251 9.6514 118.9472 57.9254 66.2326 174.9792 4 D 4.6926 8.7301 121.7791 57.5693 40.6370 179.3128 5 G 3.6649 8.0891 105.8038 47.7668 0.0000 175.5446 6 E 3.9401 7.8968 120.9014 59.0006 29.4827 179.3512 7 W 4.3595 8.2089 119.0233 59.7171 29.0141 178.3790 8 Q 4.0416 8.2784 119.5045 59.2845 28.6049 178.2678 9 L 4.0154 7.8452 119.6818 57.7130 41.5900 179.5097 10 V 3.7082 7.8343 118.1171 66.4015 31.5856 178.2295 11 L 4.2214 8.6516 118.8817 57.6762 41.1866 179.3692 12 N 4.4076 8.2890 116.0740 56.5686 38.8398 177.6239 13 V 3.8007 8.0546 113.7731 64.0262 31.6290 178.4520 14 W 4.1255 8.7189 128.5744 60.2090 30.2348 178.1535 15 G 3.6808 7.7546 104.7321 47.6526 0.0000 175.4640 16 K 3.9568 7.7674 120.6603 59.2764 32.0246 179.6223 17 V 2.8879 6.8904 117.9177 65.5853 31.0989 177.6600 18 E 3.9446 7.5580 116.7524 58.4418 29.3502 178.3415 19 A 4.2688 7.2464 118.1709 53.0422 20.2220 177.6148 20 D 4.6622 7.4782 115.5350 52.4575 43.3591 175.7272 21 V 3.5343 7.8402 123.4169 65.7031 32.1219 176.8062 22 A 4.0857 8.0361 120.2313 54.9880 18.2231 179.7439 23 G 3.4475 7.9812 104.1396 48.2900 0.0000 175.7984 24 H 4.1474 8.1211 118.7185 58.3272 28.7175 178.0407 25 G 3.6617 8.7394 107.9738 47.8295 0.0000 175.4968 26 Q 3.8495 8.2386 121.9703 59.0185 29.1798 178.0078 27 E 3.8382 8.0002 119.6176 59.3852 29.3971 179.6407 28 V 3.5087 7.9148 118.2615 66.0678 31.5492 178.1913 29 L 3.4220 7.7912 118.6622 57.4153 41.3271 179.5211 30 I 3.6271 7.7376 120.0616 64.2786 37.0133 178.6391 31 R 3.8184 7.8667 118.8031 59.1664 29.8485 178.7994 32 L 3.9312 7.7864 120.0995 58.3553 41.8287 179.0856 33 F 4.5038 7.7582 116.6124 60.2271 38.8953 177.6816 34 K 4.2611 8.3915 118.4023 59.1652 31.9636 179.2539 35 G 3.7417 8.3568 105.6357 46.4361 0.0000 173.7264 36 H 4.6408 8.2949 118.4059 51.8550 29.6863 171.9672 37 P 4.3326 0.0000 0.0000 65.2643 30.8479 178.2119 38 E 4.1352 8.1613 117.3561 59.1542 29.5172 178.6747 39 T 4.0763 8.5923 111.1736 63.9883 68.9306 176.3188 40 L 3.7071 8.0515 123.7810 57.9830 41.7566 178.5703 41 E 4.1387 7.8320 116.9570 58.8489 29.4452 178.6597 42 K 4.4670 8.0346 116.6394 56.7286 32.6662 177.3981 43 F 4.5442 8.0220 119.4813 55.6728 39.6406 175.7671 44 D 4.3774 8.4310 125.0694 57.2520 40.5719 178.7451 45 K 3.8811 7.9241 117.3035 58.7295 32.4404 177.3877 46 F 5.1703 7.7646 115.2071 56.9464 39.8770 177.0755 47 K 3.9699 7.9791 122.2070 59.9448 31.8208 177.7777 48 H 4.2690 8.1293 112.6426 56.3243 29.0059 175.1278 49 L 4.3673 7.7199 121.1053 54.5336 41.6490 176.9358 50 K 4.4078 8.9674 122.8842 56.4964 33.6610 176.4493 51 S 4.6763 7.4240 112.9923 55.5902 67.4151 174.1770 52 E 3.9343 8.6414 121.7073 59.5527 29.1619 178.4153 53 D 4.3181 8.0045 118.4897 57.1733 40.9950 178.3618 54 E 3.9896 8.0825 119.2666 59.3900 29.1936 179.2274 55 M 3.9456 7.6220 117.6897 58.3321 32.1313 178.7338 56 K 4.0219 8.1328 117.3722 58.9838 32.2134 178.6834 57 A 4.2823 7.4078 120.1420 52.7154 19.3156 177.7835 58 S 4.1288 7.4687 113.7484 58.4807 62.9911 174.6846 59 E 4.2747 8.8014 126.1559 58.8462 29.7841 178.4460 60 D 4.4769 8.1478 119.7732 57.2538 40.9172 178.2096 61 L 3.8483 7.8346 120.5229 57.9391 42.0091 178.9816 62 K 4.0298 7.6163 118.4926 59.2364 32.0910 179.0825 63 K 4.0543 8.0752 119.0471 59.2928 32.0696 179.5544 64 V 3.8883 8.4198 119.0792 65.9723 31.5342 178.2945 65 G 3.6396 8.6322 106.0238 47.7250 0.0000 175.1067 66 N 4.3324 8.2094 119.4231 56.8188 39.0024 177.0294 67 T 3.9160 8.1281 117.0322 66.9822 68.5581 176.2956 68 H 4.0540 8.3495 117.9259 59.0758 28.8178 177.9940 69 L 4.3077 8.0731 120.6226 57.8716 41.3368 179.6980 70 T 3.9874 8.4122 116.0000 66.5847 68.1076 176.5868 71 A 3.9914 8.0377 122.6812 55.0318 18.4318 179.3717 72 L 3.6531 7.9409 119.0558 58.1870 42.1717 179.4481 73 G 3.1572 8.2717 105.7635 47.3719 0.0000 175.8921 74 G 3.5758 7.4958 107.2509 47.6911 0.0000 175.6245 75 I 3.8427 7.2564 122.1830 64.0547 37.1410 178.6037 76 L 4.0257 7.6516 119.7863 57.6272 41.1722 179.4986 77 K 4.0361 7.6164 116.7449 58.3633 32.2591 179.0100 78 K 3.9066 7.8187 118.6233 56.5420 32.7171 176.6020 79 K 2.0000 8.2563 118.0343 56.3470 29.6424 174.5350 80 G 4.0163 7.8796 105.4286 45.7034 0.0000 173.4577 81 H 4.6824 7.1073 118.6081 55.2432 27.5499 174.7542 82 H 5.6452 7.1172 110.3673 54.4703 29.8540 176.4853 83 E 3.9423 8.5888 122.3730 60.3685 29.1095 178.4617 84 A 4.0599 7.9187 118.6853 55.0919 18.5751 178.8849 85 E 4.1463 8.0761 116.5629 58.9189 29.7556 178.8827 86 L 4.0843 8.5871 121.1576 58.2197 42.1396 178.8014 87 T 3.8993 7.8762 115.6702 66.5931 68.4215 174.7357 88 P 4.4977 0.0000 0.0000 65.1844 31.2214 178.6309 89 L 4.0091 7.4585 119.2786 58.1011 42.1019 178.8367 90 A 4.1591 8.1165 120.6593 55.2890 18.3609 179.4651 91 Q 3.8142 8.5636 117.1012 59.2423 28.7847 179.3890 92 S 3.9850 8.3033 115.3564 61.8669 62.8291 176.1221 93 H 4.1160 8.6663 119.5906 57.8508 28.1010 177.6214 94 A 3.5290 7.5405 123.2705 54.7755 17.9972 179.5462 95 T 3.7729 7.0879 105.8824 62.7385 69.8196 175.3776 96 K 4.2012 7.6705 120.4850 58.1640 33.5531 176.8216 97 H 4.2811 7.9281 114.0810 56.2873 29.3101 175.3937 98 K 3.7899 7.5207 116.3764 56.4347 28.7826 176.0523 99 I 4.1835 8.6292 120.2890 58.8649 38.3823 175.1075 100 P 4.4513 0.0000 0.0000 62.5016 32.0196 177.6304 101 V 3.2793 12.0000 119.9851 65.8137 31.3768 178.6630 102 K 3.7940 7.8460 118.0488 59.8550 32.2878 178.5062 103 Y 3.8424 7.6790 117.5558 60.4933 37.7777 177.9926 104 L 4.1137 7.8786 120.3270 57.4746 41.4885 178.9835 105 E 3.9847 7.8012 119.1490 59.1379 29.7611 178.6721 106 F 4.4838 7.6145 117.7473 60.6316 38.9723 177.5257 107 I 3.8768 8.2112 118.3230 63.8427 37.7357 178.1106 108 S 4.1926 8.1429 116.3129 61.6045 62.6493 176.2703 109 E 4.0043 8.1652 121.8243 59.2226 29.3459 178.6848 110 A 4.5691 7.9234 121.7774 54.5466 18.2965 179.6640 111 I 3.6498 7.8515 118.3698 64.7742 37.2153 178.7129 112 I 3.7412 7.8148 120.5364 64.5337 36.8926 178.5891 113 Q 4.0118 8.5764 119.3915 58.9370 28.4597 179.0279 114 V 3.5666 8.0302 119.4828 65.7345 31.4621 178.1114 115 L 3.7837 8.0064 119.1774 57.6814 41.0857 179.3058 116 Q 4.1408 7.8332 118.4194 59.3724 29.1147 178.1512 117 S 4.2458 7.9829 115.1924 61.4488 62.9478 176.3613 118 K 4.0745 8.1378 120.3407 57.9173 33.3110 177.1851 119 H 5.0561 8.2908 115.5097 53.8430 29.2918 173.0158 120 P 4.3724 0.0000 0.0000 65.9390 31.6723 178.5314 121 G 3.7112 8.1515 106.7557 48.0340 0.0000 173.7868 122 D 4.6514 8.0980 116.7990 54.5503 41.8570 176.4391 123 F 4.9434 7.6578 121.6102 56.6542 38.6434 174.6731 124 G 3.8598 7.4845 110.9431 43.4889 0.0000 170.8870 125 A 3.8785 8.4688 120.6800 55.5875 18.0923 179.6861 126 D 4.2078 7.9263 116.3475 57.3567 41.0500 178.6912 127 A 4.0256 7.7718 120.8228 54.9747 18.3585 179.4719 128 Q 3.1718 7.7523 116.8409 58.8290 28.8161 179.3732 129 G 3.4824 7.6821 105.9187 47.6027 0.0000 175.4755 130 A 3.8027 8.2392 123.8632 55.0824 18.4785 179.2725 131 M 4.0208 8.4654 117.3122 58.9659 32.2664 178.6079 132 S 4.2199 8.3418 114.4201 61.3397 63.1728 176.6060 133 K 3.8930 8.0237 121.8628 59.0402 31.7280 179.1947 134 A 3.8318 7.6610 120.6883 55.1694 18.3172 179.7676 135 L 4.1048 8.0535 117.5372 57.5777 41.5720 179.4091 136 E 3.9012 8.4130 119.6095 59.0849 29.5933 178.3267 137 L 3.9431 8.2593 120.8609 58.3356 42.1467 178.6537 138 F 4.0822 8.3550 120.2506 61.3836 39.2587 177.0741 139 R 3.5510 8.4783 117.9123 59.3595 29.8828 178.7840 140 N 4.2351 8.2528 116.1581 56.5180 38.5801 177.3171 141 D 4.3745 8.2123 120.2946 57.4427 40.7689 178.8412 142 M 3.9049 7.6591 119.1322 58.2081 31.8204 178.5495 143 A 3.7128 7.8829 120.7550 55.0209 18.4170 179.5810 144 A 3.9536 7.8722 119.3439 55.2489 18.0962 180.0743 145 K 4.0649 8.1644 117.0972 59.5553 32.1305 179.2886 146 Y 4.1998 8.5231 117.5761 61.2583 37.6077 178.8834 147 K 4.1388 8.6207 119.8976 59.1221 31.9059 178.8840 148 E 4.2504 8.0179 116.1677 58.0803 29.8970 177.8945 149 L 4.4697 7.5559 117.3625 54.3273 42.0156 177.1189 150 G 3.7160 7.5219 105.8148 45.6996 0.0000 174.4893 151 F 4.7667 8.0953 118.6933 57.3034 39.2878 175.3950 152 Q 4.4021 8.8075 127.6930 56.6680 28.7878 173.8604 153 G 3.7660 8.8886 114.3068 45.5457 0.0000 171.1333 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 G 8.35 4.01 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 0.00 0.00 0.00 2 L 8.28 4.51 0.00 0.86 0.78 0.59 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.65 4.53 0.00 4.05 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 4 D 8.73 4.69 0.00 2.77 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.09 3.66 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 0.00 0.00 0.00 6 E 7.90 3.94 0.00 1.98 1.72 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 2.22 2.27 0.00 7 W 8.21 4.36 0.00 3.56 3.18 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 8 Q 8.28 4.04 0.00 2.42 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 9 L 7.85 4.02 0.00 1.95 1.72 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.83 3.71 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 1.30 0.00 0.00 0.85 0.00 0.00 11 L 8.65 4.22 0.00 1.81 1.81 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.29 4.41 0.00 2.89 2.93 0.00 0.00 7.06 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 13 V 8.05 3.80 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 1.04 0.00 0.00 1.05 0.00 0.00 14 W 8.72 4.13 0.00 3.59 3.18 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 15 G 7.75 3.68 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 0.00 0.00 0.00 16 K 7.77 3.96 0.00 1.76 1.31 0.00 1.44 0.00 0.00 1.50 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.26 1.31 7.81 17 V 6.89 2.89 0.67 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 0.08 0.00 0.00 0.10 0.00 0.00 18 E 7.56 3.94 0.00 2.05 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 2.40 2.33 0.00 19 A 7.25 4.27 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.48 4.66 0.00 2.74 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 21 V 7.84 3.53 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 1.07 0.00 0.00 0.96 0.00 0.00 22 A 8.04 4.09 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 23 G 7.98 3.45 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 24 H 8.12 4.15 0.00 3.11 3.25 0.00 5.83 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 25 G 8.74 3.66 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 0.00 0.00 0.00 26 Q 8.24 3.85 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 27 E 8.00 3.84 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 28 V 7.91 3.51 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.98 0.00 0.00 29 L 7.79 3.42 0.00 1.38 0.86 0.87 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.74 3.63 1.77 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 1.46 0.52 0.90 0.00 0.00 31 R 7.87 3.82 0.00 1.92 1.92 0.00 3.25 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.74 0.00 32 L 7.79 3.93 0.00 1.61 1.39 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.76 4.50 0.00 2.97 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 34 K 8.39 4.26 0.00 1.64 1.83 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.57 7.81 35 G 8.36 3.74 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 0.00 0.00 0.00 36 H 8.29 4.64 0.00 3.00 2.64 0.00 5.82 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.33 0.00 2.25 2.30 0.00 3.59 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 2.05 1.99 0.00 38 E 8.16 4.14 0.00 2.32 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 39 T 8.59 4.08 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 0.78 0.00 0.00 40 L 8.05 3.71 0.00 1.47 1.82 0.22 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.83 4.14 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 42 K 8.03 4.47 0.00 1.53 1.74 0.00 1.77 0.00 0.00 1.90 0.00 0.00 3.22 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.77 1.81 7.81 43 F 8.02 4.54 0.00 3.17 2.56 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 44 D 8.43 4.38 0.00 2.65 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 45 K 7.92 3.88 0.00 1.11 1.22 0.00 1.55 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.36 7.81 46 F 7.76 5.17 0.00 2.87 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 47 K 7.98 3.97 0.00 1.75 1.91 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.56 7.81 48 H 8.13 4.27 0.00 3.19 3.39 0.00 5.70 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.72 4.37 0.00 1.59 1.55 0.69 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.97 4.41 0.00 1.70 1.80 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.61 7.81 51 S 7.42 4.68 0.00 3.96 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.64 3.93 0.00 2.03 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 2.34 2.37 0.00 53 D 8.00 4.32 0.00 2.71 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 54 E 8.08 3.99 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 55 M 7.62 3.95 0.00 1.92 2.22 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 2.68 2.45 0.00 56 K 8.13 4.02 0.00 1.81 1.84 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.54 7.81 57 A 7.41 4.28 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 58 S 7.47 4.13 0.00 3.92 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 59 E 8.80 4.27 0.00 2.25 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 0.00 2.37 2.43 0.00 60 D 8.15 4.48 0.00 2.97 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 61 L 7.83 3.85 0.00 1.16 1.43 0.48 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.62 4.03 0.00 1.93 1.97 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 63 K 8.08 4.05 0.00 1.95 1.90 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.60 7.81 64 V 8.42 3.89 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 1.19 0.00 0.00 65 G 8.63 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 0.00 0.00 0.00 66 N 8.21 4.33 0.00 2.95 3.04 0.00 0.00 7.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.13 3.92 4.56 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 1.25 0.00 0.00 68 H 8.35 4.05 0.00 3.52 3.48 0.00 5.81 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 69 L 8.07 4.31 0.00 1.83 1.96 0.94 0.95 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 70 T 8.41 3.99 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 71 A 8.04 3.99 1.31 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 0.00 0.00 72 L 7.94 3.65 0.00 1.71 1.74 0.23 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.27 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 7.50 3.58 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 0.00 0.00 0.00 75 I 7.26 3.84 1.79 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 1.53 1.17 0.85 0.00 0.00 76 L 7.65 4.03 0.00 1.35 1.61 -0.08 0.77 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 77 K 7.62 4.04 0.00 1.68 1.81 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.48 1.59 7.81 78 K 7.82 3.91 0.00 1.68 1.85 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.68 1.61 7.81 79 K 8.26 2.00 0.00 1.13 0.74 0.00 1.31 0.00 0.00 1.34 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.58 1.05 7.81 80 G 7.88 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.11 4.68 0.00 3.18 3.20 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.12 5.65 0.00 3.31 3.47 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.59 3.94 0.00 2.11 2.02 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 2.40 2.48 0.00 84 A 7.92 4.06 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 85 E 8.08 4.15 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 86 L 8.59 4.08 0.00 2.03 1.70 1.08 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.88 3.90 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 88 P 0.00 4.50 0.00 2.18 2.12 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 89 L 7.46 4.01 0.00 1.92 1.81 0.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.12 4.16 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 91 Q 8.56 3.81 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 92 S 8.30 3.98 0.00 3.92 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 93 H 8.67 4.12 0.00 3.55 3.57 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 94 A 7.54 3.53 -0.06 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 95 T 7.09 3.77 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 1.01 0.00 0.00 96 K 7.67 4.20 0.00 1.55 1.76 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.94 1.26 7.81 97 H 7.93 4.28 0.00 3.04 3.16 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.52 3.79 0.00 1.85 1.80 0.00 1.75 0.00 0.00 2.35 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.29 7.81 99 I 8.63 4.18 2.04 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 1.45 0.96 1.04 0.00 0.00 100 P 0.00 4.45 0.00 1.85 1.96 0.00 2.96 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 1.42 0.00 101 V 12.00 3.28 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 0.83 0.00 0.00 0.10 0.00 0.00 102 K 7.85 3.79 0.00 1.71 1.93 0.00 1.48 0.00 0.00 1.92 0.00 0.00 3.19 0.00 0.00 3.52 0.00 0.00 0.00 0.00 1.42 1.50 7.81 103 Y 7.68 3.84 0.00 3.11 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.88 4.11 0.00 1.69 1.73 0.52 0.62 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 0.00 105 E 7.80 3.98 0.00 1.92 1.83 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 2.40 2.39 0.00 106 F 7.61 4.48 0.00 3.17 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 0.00 107 I 8.21 3.88 2.00 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 1.58 1.39 1.07 0.00 0.00 108 S 8.14 4.19 0.00 4.17 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 0.00 109 E 8.17 4.00 0.00 2.07 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 2.55 2.39 0.00 110 A 7.92 4.57 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.85 3.65 2.04 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 1.63 0.81 1.05 0.00 0.00 112 I 7.81 3.74 2.11 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 1.80 0.80 1.17 0.00 0.00 113 Q 8.58 4.01 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 114 V 8.03 3.57 2.02 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 1.01 0.00 0.00 0.93 0.00 0.00 115 L 8.01 3.78 0.00 0.81 0.41 0.67 0.83 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 0.00 116 Q 7.83 4.14 0.00 2.30 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.97 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 117 S 7.98 4.25 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 0.00 118 K 8.14 4.07 0.00 1.59 1.36 0.00 1.28 0.00 0.00 1.32 0.00 0.00 2.67 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.27 1.30 7.81 119 H 8.29 5.06 0.00 3.18 3.19 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.37 0.00 2.20 2.23 0.00 3.85 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 121 G 8.15 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 0.00 122 D 8.10 4.65 0.00 2.74 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 0.00 123 F 7.66 4.94 0.00 2.96 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 0.00 124 G 7.48 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 0.00 0.00 0.00 125 A 8.47 3.88 1.27 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 0.00 0.00 126 D 7.93 4.21 0.00 2.65 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 0.00 127 A 7.77 4.03 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 0.00 128 Q 7.75 3.17 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.54 1.46 0.00 129 G 7.68 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.24 3.80 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 M 8.47 4.02 0.00 2.46 2.45 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.87 0.00 132 S 8.34 4.22 0.00 4.10 4.13 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 0.00 133 K 8.02 3.89 0.00 1.83 1.75 0.00 1.57 0.00 0.00 1.49 0.00 0.00 2.87 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.38 1.48 7.81 134 A 7.66 3.83 1.07 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 0.00 135 L 8.05 4.10 0.00 1.78 1.81 0.99 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.41 3.90 0.00 2.13 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 2.42 2.31 0.00 137 L 8.26 3.94 0.00 1.86 2.00 1.01 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.35 4.08 0.00 3.18 3.27 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 0.00 139 R 8.48 3.55 0.00 1.93 1.86 0.00 3.11 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.92 0.00 140 N 8.25 4.24 0.00 2.86 2.83 0.00 0.00 7.10 8.76 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 0.00 141 D 8.21 4.37 0.00 2.84 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 0.00 142 M 7.66 3.90 0.00 1.62 1.64 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 2.10 0.00 143 A 7.88 3.71 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.87 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 0.00 145 K 8.16 4.06 0.00 2.12 1.99 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.66 7.81 146 Y 8.52 4.20 0.00 3.13 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 0.00 147 K 8.62 4.14 0.00 1.82 1.89 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.72 7.81 148 E 8.02 4.25 0.00 2.12 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 0.00 2.50 2.37 0.00 149 L 7.56 4.47 0.00 2.03 2.03 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.52 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 F 8.10 4.77 0.00 2.99 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 0.00 152 Q 8.81 4.40 0.00 2.18 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 153 G 8.89 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