NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.7154 8.0549 120.2860 61.2513 32.5906 174.5802 2 E 4.2381 8.2112 122.4744 54.0375 30.6561 173.8595 3 W 5.0948 8.3670 124.5570 55.4009 32.1601 176.7122 4 T 4.5062 9.1688 113.4358 60.9636 71.0480 175.8635 5 D 4.4167 8.6076 121.8264 57.5956 40.8193 179.1117 6 K 4.0119 8.0445 119.6352 59.3168 32.2958 178.5509 7 E 4.0325 8.3994 119.0214 59.5972 29.4742 179.3626 8 R 3.7037 8.0702 117.9793 59.2680 29.9975 179.1073 9 S 4.0370 8.0881 112.6749 61.4721 62.4884 176.1881 10 I 3.6953 7.8875 122.5712 64.5513 36.8337 178.5376 11 I 3.8243 7.8151 120.5620 64.3123 36.8275 178.4418 12 S 4.0559 8.0295 114.0321 61.2969 61.9945 175.5850 13 D 4.3092 8.0941 119.6614 57.4850 41.2132 177.7796 14 I 3.7421 8.1911 120.4734 64.6959 36.7203 178.4755 15 F 4.0434 8.4796 118.0641 59.7596 38.5580 177.8677 16 S 4.3453 8.2596 113.2291 60.4385 62.9708 174.5271 17 H 4.7863 7.3930 117.6528 55.3628 29.2021 173.9999 18 M 3.7962 7.4248 120.3433 55.2999 32.3709 176.2273 19 D 4.6942 8.2839 125.6464 53.3313 41.1507 176.1301 20 Y 3.9702 8.5868 125.4881 60.7624 37.8901 177.4524 21 D 4.4937 8.0080 117.6794 55.9810 40.8577 177.3190 22 D 4.6012 7.8438 118.1758 56.5474 41.9694 178.1897 23 I 3.8809 8.0047 120.7767 63.9564 37.0166 178.7490 24 G 3.6007 8.3325 106.8273 47.5362 0.0000 174.0981 25 P 4.3048 0.0000 0.0000 64.8033 31.3484 178.8502 26 K 3.8859 7.7449 115.9055 59.4952 31.9965 179.2754 27 A 3.9918 8.2260 121.1676 54.9981 18.3362 179.5026 28 L 3.9500 8.0112 118.9724 58.1129 42.0428 179.1814 29 S 4.0530 8.2678 115.4732 61.6639 62.8549 176.4998 30 R 3.9009 8.0095 121.1993 59.6779 29.7655 177.9373 31 C 4.1504 8.1726 118.2097 62.6661 31.5413 175.6401 32 L 4.1580 8.0483 120.3226 57.2598 40.8435 179.4994 33 I 3.7645 7.1719 119.0135 64.0476 37.5830 178.2070 34 V 3.4847 7.8876 117.7636 64.5393 32.7771 175.6735 35 Y 3.8676 7.7260 115.4985 54.7389 37.9446 174.4333 36 P 5.0868 0.0000 0.0000 63.8748 31.8918 177.6777 37 W 4.4967 7.6171 115.2770 58.4772 28.1624 177.7018 38 T 4.1212 7.8397 111.3828 63.9744 68.3286 176.0818 39 Q 4.2707 8.1167 121.3476 57.9117 28.3987 178.0036 40 R 3.8001 7.3356 119.6487 59.5536 30.0338 176.7973 41 H 4.4078 7.0197 112.1444 55.0343 29.2410 175.2247 42 F 4.4018 7.7436 121.1406 56.7369 39.5577 177.5747 43 S 4.1325 8.3523 117.0898 60.7909 62.4526 174.5153 44 G 4.1132 8.0729 106.4508 45.6700 0.0000 174.0158 45 F 4.2484 8.3013 118.2368 58.0003 39.4059 176.4017 46 G 3.8818 8.0641 107.3992 44.1045 0.0000 172.3165 47 N 4.6597 8.4816 116.3281 53.7092 38.7731 175.0456 48 L 4.7908 8.4296 120.5504 54.6318 43.7947 177.9475 49 Y 4.3412 8.0015 119.3382 59.3960 38.4096 174.9064 50 N 4.8639 7.0691 117.0454 50.0727 40.8781 175.0488 51 A 3.9092 8.7881 120.2479 55.5180 18.2128 179.7006 52 E 3.8547 8.1047 115.1111 59.4711 29.3444 179.0582 53 A 3.8254 7.6979 120.9954 54.8008 18.6294 179.4665 54 I 3.7820 7.5372 118.2384 64.6848 37.0411 178.8123 55 I 3.8973 7.3903 121.0487 63.1393 36.9573 177.7575 56 G 4.0242 7.6187 104.0644 43.7112 0.0000 172.9534 57 N 4.5733 7.7914 121.2264 52.2183 39.2752 175.4877 58 A 4.0230 8.5699 128.7431 55.1406 18.4647 178.8899 59 N 3.9663 7.9931 114.6575 56.4369 38.6818 177.4575 60 V 3.7192 8.7941 119.7092 65.9452 31.4819 177.8710 61 A 3.9489 7.9482 120.1819 55.3081 18.4518 179.6192 62 A 4.0218 7.9911 119.0898 55.3388 18.3610 179.3384 63 H 4.3834 8.5458 117.3224 59.2367 29.9777 177.6872 64 G 3.7880 8.3668 107.7528 47.7220 0.0000 175.8317 65 I 3.8580 7.7126 121.6352 64.0223 37.2648 178.3418 66 K 3.9598 7.9892 120.1822 59.6150 31.8620 178.9473 67 V 3.6770 7.9713 117.4998 65.9734 31.7169 177.3930 68 L 4.2945 8.2066 120.0599 58.6023 42.0923 178.5269 69 H 4.9402 8.2946 117.1092 57.4965 28.3891 177.6922 70 G 3.8375 7.8827 106.6548 47.2140 0.0000 175.3943 71 L 4.6822 8.0896 122.5984 56.9077 41.2597 178.6828 72 D 4.3503 8.1060 119.5685 57.5334 40.5204 179.1359 73 R 4.0017 7.9886 115.2272 59.1154 29.8595 178.6886 74 G 3.9918 8.4237 106.5549 47.4073 0.0000 175.9041 75 V 3.3019 7.7781 119.3673 65.4535 31.5672 176.9947 76 K 4.3085 7.5756 115.6640 56.5422 32.7547 177.0207 77 N 4.9357 7.9808 115.6363 52.1057 40.0521 176.2638 78 M 4.1519 8.2691 119.0069 58.0371 32.3515 177.4620 79 D 5.0666 8.1074 115.7269 54.2935 41.9088 175.6068 80 N 5.1736 8.4777 119.1592 52.7397 39.9671 176.6482 81 I 3.9065 8.2939 119.4136 63.9662 37.1607 177.1743 82 A 4.0527 8.1582 119.9872 55.3229 18.4413 179.1780 83 A 4.0998 7.9626 118.4405 55.7653 18.4260 179.6384 84 T 3.7471 7.9752 113.1970 66.6859 68.7380 175.3115 85 Y 4.3179 8.0383 115.9614 57.8777 38.0563 177.1874 86 A 4.0814 8.0518 124.3856 55.4837 18.4728 179.8752 87 D 4.3092 8.0350 116.8495 57.3855 41.0119 178.7843 88 L 4.1060 7.9299 119.1481 57.6015 41.6221 179.4154 89 S 4.2796 8.2905 113.3287 61.8878 62.3706 176.2478 90 T 3.7547 8.1351 118.6451 66.4085 68.0975 176.3559 91 L 3.8780 7.9820 122.1169 58.6518 42.2240 178.7904 92 H 4.1612 8.4218 116.1433 58.7310 28.1665 177.9068 93 S 3.5581 7.9099 114.8715 61.1814 61.9952 175.7800 94 E 4.1681 8.0066 119.1779 57.3716 29.6118 177.3771 95 K 4.2737 7.8587 117.0490 57.1348 33.6395 177.2698 96 L 4.2756 7.7292 116.1353 54.4688 42.7211 175.8314 97 H 4.2553 7.7475 113.9262 55.2600 26.2975 174.9474 98 V 3.8002 7.8368 117.9226 61.4447 32.3879 174.6639 99 D 4.2488 8.7311 127.0354 53.8282 41.3459 175.0624 100 P 2.9700 0.0000 0.0000 64.5547 31.7710 177.8501 101 D 4.2732 8.6214 119.3122 57.2899 40.8557 177.7149 102 N 4.3938 8.2088 117.1489 55.8406 38.3915 177.2190 103 F 4.4510 7.4770 119.7266 60.5618 38.9302 177.7265 104 K 4.0673 8.0136 118.0798 59.1589 31.9390 179.5407 105 L 3.7491 7.5967 118.9624 57.6352 41.6218 179.0790 106 L 4.0640 8.2195 120.5114 58.0854 41.8924 179.0839 107 S 4.1614 8.1017 115.2687 61.9261 62.7425 176.5431 108 D 4.4447 8.2412 121.3462 57.4806 40.4662 178.6871 109 C 4.2245 8.1931 117.2385 62.6988 28.1234 176.1575 110 I 3.7443 8.3075 121.8787 64.6548 36.6553 178.4194 111 T 4.0182 8.3365 116.7724 67.0762 68.4559 176.7557 112 I 3.6527 8.1203 121.7221 64.0623 37.0513 178.8158 113 V 3.4956 7.9119 119.4595 65.7868 31.4120 177.8482 114 L 3.6294 8.2145 120.2232 57.8867 41.7495 178.7616 115 A 3.2601 7.5533 120.7371 54.7150 17.9748 179.5108 116 A 3.8508 7.3950 117.9595 54.9736 18.5118 179.5164 117 K 3.9365 7.6537 117.0668 60.0366 32.6911 178.7837 118 M 4.1567 8.5358 118.9683 55.9937 32.2508 177.7226 119 G 3.7431 8.6914 108.3046 46.3601 0.0000 176.3266 120 H 4.0377 9.1441 121.7284 58.8803 29.7270 176.0949 121 A 4.0887 7.8086 120.9574 54.1332 18.7795 177.9217 122 F 4.5082 7.9998 120.6817 57.1335 37.7806 174.8808 123 T 4.0436 7.2969 115.7484 60.8466 71.1733 175.0649 124 A 3.8704 8.3189 122.3944 55.2266 18.2378 179.3710 125 E 3.8173 8.0035 117.1988 59.6835 29.7020 178.8506 126 T 3.7588 7.6163 115.7063 66.7315 68.5113 176.2074 127 Q 3.6705 7.8865 121.7307 58.9370 28.9853 178.6296 128 G 3.6012 8.2523 106.7696 47.7632 0.0000 175.5799 129 A 4.2073 8.2560 123.6971 54.7856 18.3647 179.5471 130 F 4.3638 8.7377 119.5780 61.7448 39.5867 177.3150 131 Q 3.9947 8.8515 118.1331 58.7800 28.4812 178.8094 132 K 3.9414 8.3862 120.6294 59.5201 32.3402 178.5177 133 F 4.5661 8.7338 121.0538 61.6429 39.3049 177.1428 134 L 3.5766 8.1619 118.6346 57.4349 41.3211 179.3732 135 A 3.9686 8.4664 121.3354 55.0258 18.2931 179.8901 136 V 3.4971 7.8967 116.9462 65.8229 31.4875 178.5407 137 V 2.9915 7.2157 118.0157 65.7179 31.3220 178.1494 138 V 3.2764 7.7847 118.3749 65.8232 31.0896 177.6070 139 S 4.0187 7.7461 111.5182 61.5784 62.5552 175.8149 140 A 4.1331 7.6334 122.6364 55.2456 17.9045 179.6424 141 L 4.0326 7.8368 116.6075 57.0424 41.7284 178.9776 142 G 3.9529 8.0076 104.2768 45.2511 0.0000 175.5583 143 K 4.1047 7.8236 121.7082 59.0979 32.2522 177.0619 144 Q 4.4703 8.3318 116.1706 55.7918 28.7660 174.9812 145 Y 4.0601 7.9615 117.8379 57.8028 37.9457 175.4673 146 H 4.5378 8.1391 119.8536 55.7815 28.7761 173.1321 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 3.72 1.78 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 0.89 0.00 0.00 -0.46 0.00 0.00 2 E 8.21 4.24 0.00 1.88 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 2.15 2.28 0.00 3 W 8.37 5.09 0.00 3.32 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 4 T 9.17 4.51 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 8.61 4.42 0.00 2.74 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 8.04 4.01 0.00 1.89 1.84 0.00 1.63 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.61 7.81 7 E 8.40 4.03 0.00 2.52 2.27 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 2.56 2.51 0.00 8 R 8.07 3.70 0.00 2.04 1.90 0.00 3.15 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.82 0.00 9 S 8.09 4.04 0.00 4.02 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 10 I 7.89 3.70 1.90 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 1.52 0.43 0.94 0.00 0.00 11 I 7.82 3.82 1.59 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 1.49 0.51 0.27 0.00 0.00 12 S 8.03 4.06 0.00 3.90 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 13 D 8.09 4.31 0.00 2.83 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 14 I 8.19 3.74 1.92 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 0.74 0.25 0.00 0.00 15 F 8.48 4.04 0.00 3.13 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 16 S 8.26 4.35 0.00 3.96 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 H 7.39 4.79 0.00 3.03 3.29 0.00 5.66 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 M 7.42 3.80 0.00 1.38 1.52 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.14 0.00 19 D 8.28 4.69 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 8.59 3.97 0.00 3.05 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 21 D 8.01 4.49 0.00 2.87 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 7.84 4.60 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 8.00 3.88 1.72 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 1.51 0.51 0.79 0.00 0.00 24 G 8.33 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 25 P 0.00 4.30 0.00 2.16 2.10 0.00 3.73 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 2.28 2.39 0.00 26 K 7.74 3.89 0.00 2.04 1.82 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.43 1.52 7.81 27 A 8.23 3.99 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 28 L 8.01 3.95 0.00 1.80 1.65 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.27 4.05 0.00 3.95 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 8.01 3.90 0.00 1.98 2.09 0.00 3.07 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 1.58 1.58 0.00 31 C 8.17 4.15 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 32 L 8.05 4.16 0.00 1.84 1.67 0.78 0.71 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 33 I 7.17 3.76 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 0.83 0.00 0.00 34 V 7.89 3.48 1.52 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 -0.03 0.00 0.00 0.78 0.00 0.00 35 Y 7.73 3.87 0.00 2.60 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 0.00 0.00 0.00 36 P 0.00 5.09 0.00 2.23 2.10 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 37 W 7.62 4.50 0.00 3.58 3.49 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 38 T 7.84 4.12 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 8.12 4.27 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 40 R 7.34 3.80 0.00 1.91 1.64 0.00 3.23 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.63 0.00 41 H 7.02 4.41 0.00 1.99 2.72 0.00 5.65 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.74 4.40 0.00 2.82 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 0.00 0.00 0.00 43 S 8.35 4.13 0.00 3.83 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 44 G 8.07 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 45 F 8.30 4.25 0.00 3.28 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.06 3.88 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 0.00 47 N 8.48 4.66 0.00 2.82 2.82 0.00 0.00 6.52 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 8.43 4.79 0.00 1.69 1.59 1.10 0.90 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 49 Y 8.00 4.34 0.00 3.05 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 50 N 7.07 4.86 0.00 3.06 3.03 0.00 0.00 6.66 7.82 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 51 A 8.79 3.91 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 8.10 3.85 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 53 A 7.70 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.54 3.78 1.92 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 1.49 0.85 0.86 0.00 0.00 55 I 7.39 3.90 1.82 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 1.36 0.91 0.88 0.00 0.00 56 G 7.62 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 57 N 7.79 4.57 0.00 2.92 2.87 0.00 0.00 7.02 7.56 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 58 A 8.57 4.02 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 7.99 3.97 0.00 2.45 1.69 0.00 0.00 6.78 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 8.79 3.72 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 0.94 0.00 0.00 1.03 0.00 0.00 61 A 7.95 3.95 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 62 A 7.99 4.02 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 63 H 8.55 4.38 0.00 3.57 3.44 0.00 5.79 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 8.37 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 65 I 7.71 3.86 2.07 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 1.67 0.78 1.03 0.00 0.00 66 K 7.99 3.96 0.00 2.02 1.92 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.49 7.81 67 V 7.97 3.68 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 0.96 0.00 0.00 1.05 0.00 0.00 68 L 8.21 4.29 0.00 2.15 2.04 1.04 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.29 4.94 0.00 3.33 3.30 0.00 5.68 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 7.88 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 71 L 8.09 4.68 0.00 2.17 1.99 1.37 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.11 4.35 0.00 2.90 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 73 R 7.99 4.00 0.00 1.79 1.95 0.00 2.21 0.00 0.00 2.73 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.97 0.00 74 G 8.42 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 0.00 0.00 0.00 75 V 7.78 3.30 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 0.60 0.00 0.00 -0.17 0.00 0.00 76 K 7.58 4.31 0.00 1.96 1.75 0.00 1.85 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.40 1.43 7.81 77 N 7.98 4.94 0.00 2.95 2.74 0.00 0.00 6.97 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 78 M 8.27 4.15 0.00 1.54 2.02 0.00 0.00 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.63 0.00 79 D 8.11 5.07 0.00 2.74 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 80 N 8.48 5.17 0.00 2.76 2.72 0.00 0.00 7.15 8.28 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 81 I 8.29 3.91 2.02 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 1.82 1.09 1.03 0.00 0.00 82 A 8.16 4.05 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 83 A 7.96 4.10 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 3.75 4.38 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 0.80 0.00 0.00 85 Y 8.04 4.32 0.00 3.13 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 8.05 4.08 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 D 8.04 4.31 0.00 2.77 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 7.93 4.11 0.00 1.97 1.84 1.06 0.94 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 89 S 8.29 4.28 0.00 4.10 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 90 T 8.14 3.75 4.40 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 1.19 0.00 0.00 91 L 7.98 3.88 0.00 1.84 1.85 0.90 0.91 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 92 H 8.42 4.16 0.00 3.64 3.80 0.00 5.86 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 93 S 7.91 3.56 0.00 2.72 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 94 E 8.01 4.17 0.00 1.88 1.93 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 2.21 2.35 0.00 95 K 7.86 4.27 0.00 1.82 1.78 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.49 7.81 96 L 7.73 4.28 0.00 1.74 1.63 0.74 1.08 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 97 H 7.75 4.26 0.00 3.29 3.35 0.00 5.74 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.84 3.80 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 0.43 0.00 0.00 0.62 0.00 0.00 99 D 8.73 4.25 0.00 2.69 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 0.00 100 P 0.00 2.97 0.00 1.96 1.55 0.00 3.43 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.05 0.00 101 D 8.62 4.27 0.00 2.67 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 8.21 4.39 0.00 2.69 2.80 0.00 0.00 6.88 8.98 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 0.00 103 F 7.48 4.45 0.00 3.10 2.89 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 0.00 104 K 8.01 4.07 0.00 1.96 1.82 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.47 7.81 105 L 7.60 3.75 0.00 1.58 0.97 0.86 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.22 4.06 0.00 1.83 1.76 0.99 1.39 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 0.00 107 S 8.10 4.16 0.00 4.16 3.88 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 0.00 108 D 8.24 4.44 0.00 2.95 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 0.00 109 C 8.19 4.22 0.00 3.27 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 8.31 3.74 2.18 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 1.61 0.86 1.17 0.00 0.00 111 T 8.34 4.02 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 112 I 8.12 3.65 1.88 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 1.43 0.96 0.88 0.00 0.00 113 V 7.91 3.50 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.96 0.00 0.00 114 L 8.21 3.63 0.00 1.35 1.11 0.55 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.55 3.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 7.40 3.85 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 7.65 3.94 0.00 1.63 1.80 0.00 1.61 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 1.42 7.81 118 M 8.54 4.16 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 2.34 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 8.69 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 0.00 120 H 9.14 4.04 0.00 3.09 3.38 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 7.81 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 0.00 122 F 8.00 4.51 0.00 2.83 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 0.00 123 T 7.30 4.04 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 1.17 0.00 0.00 124 A 8.32 3.87 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 8.00 3.82 0.00 2.00 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 2.37 2.40 0.00 126 T 7.62 3.76 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 1.13 0.00 0.00 127 Q 7.89 3.67 0.00 1.37 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 2.42 2.58 0.00 128 G 8.25 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 0.00 129 A 8.26 4.21 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 8.74 4.36 0.00 3.31 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.85 3.99 0.00 2.30 2.20 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 2.51 2.70 0.00 132 K 8.39 3.94 0.00 2.01 2.28 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.13 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.56 1.39 7.81 133 F 8.73 4.57 0.00 3.15 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 0.00 134 L 8.16 3.58 0.00 1.62 1.51 0.63 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.47 3.97 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 0.00 136 V 7.90 3.50 2.31 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 1.07 0.00 0.00 0.93 0.00 0.00 137 V 7.22 2.99 1.63 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 0.21 0.00 0.00 0.07 0.00 0.00 138 V 7.78 3.28 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 0.96 0.00 0.00 0.93 0.00 0.00 139 S 7.75 4.02 0.00 3.94 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 0.00 140 A 7.63 4.13 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 0.00 141 L 7.84 4.03 0.00 1.16 0.74 0.19 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.01 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 0.00 0.00 0.00 143 K 7.82 4.10 0.00 2.08 1.97 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.52 7.81 144 Q 8.33 4.47 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 145 Y 7.96 4.06 0.00 3.00 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 0.00 146 H 8.14 4.54 0.00 3.21 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