NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4520 8.2893 120.3365 55.3202 33.4093 175.8759 2 N 4.5330 9.0329 125.1918 51.7665 39.9708 174.8133 3 S 4.1355 9.2141 117.2868 61.6368 63.1655 177.7999 4 D 4.3589 8.0404 121.2930 57.3783 40.5923 178.5621 5 E 3.8691 8.0121 118.5448 59.2556 29.5496 179.2115 6 V 3.4355 7.7077 118.2643 66.1128 31.4791 177.8466 7 Q 3.9274 8.0147 119.1685 58.9905 28.8282 177.8615 8 L 3.9614 8.0889 121.4916 58.2018 42.1191 178.9816 9 I 3.2993 7.6427 119.5896 64.1791 36.7420 178.4715 10 K 4.0723 7.8254 117.7426 59.6085 32.1110 179.3249 11 K 4.2557 8.4145 119.0880 59.7368 31.5406 179.6865 12 T 4.0890 8.4574 110.1445 64.3964 68.7839 176.4728 13 W 4.6952 8.9588 131.3912 60.3160 30.4767 177.5441 14 E 3.9185 7.9630 118.3499 59.6136 29.1734 179.1041 15 I 3.7781 7.4690 118.8941 63.8200 37.3724 176.7326 16 P 4.1288 0.0000 0.0000 65.6562 31.0459 178.4802 17 V 3.1766 6.7424 117.1162 63.3659 31.2984 177.8168 18 A 4.1199 7.4384 120.9884 53.7495 19.6235 177.5275 19 T 4.5294 7.3760 106.7649 58.4251 68.5621 172.5836 20 P 4.1663 0.0000 0.0000 66.6241 31.7937 178.0851 21 T 3.8706 7.7952 113.9274 66.9194 68.4587 176.3015 22 D 4.3859 7.9649 120.1207 57.4020 41.0436 178.9728 23 S 4.1646 8.3782 116.0485 61.5849 62.7939 176.9951 24 G 3.6098 8.4414 108.5593 47.7616 0.0000 175.6319 25 A 4.2546 8.3409 122.9022 54.7613 18.4717 179.6136 26 A 3.9867 8.3076 119.6498 55.3081 18.3988 179.8303 27 I 3.6257 7.6355 118.0358 64.6748 37.2885 178.5286 28 L 3.8935 8.2168 121.4614 58.0222 41.8141 178.8735 29 T 4.1962 8.6890 110.4838 64.9955 68.5551 176.2871 30 Q 3.9732 8.1457 121.9650 58.6506 29.0661 177.6483 31 F 4.4931 8.4541 121.9187 61.8508 38.8912 177.2820 32 F 4.4615 8.2221 116.9985 60.1617 38.4832 177.4919 33 N 4.3415 8.4737 116.7341 56.8874 38.9065 176.9361 34 R 3.7976 7.8311 118.1863 57.6342 31.7785 177.1200 35 F 5.0432 7.8977 116.2601 54.5033 39.4245 173.8883 36 P 4.6214 0.0000 0.0000 64.8853 31.6571 178.6119 37 S 4.1900 8.2289 114.1104 61.6599 62.7566 176.0786 38 N 4.5172 8.2191 119.4417 55.8646 38.1908 177.0262 39 L 3.7084 8.0215 120.8553 57.9123 41.4477 179.2403 40 E 4.0518 7.9479 116.7940 58.6671 29.4138 178.9351 41 K 4.0087 7.8878 117.4544 57.0538 32.6684 176.7625 42 F 4.6295 7.2464 118.1979 54.4129 41.1464 174.9919 43 P 4.3109 0.0000 0.0000 65.2914 31.4953 176.9187 44 F 4.8141 7.4684 114.1283 56.6242 38.0010 177.3391 45 R 3.8536 7.5644 120.5762 59.6588 28.8788 176.9743 46 D 4.7329 7.8885 114.9376 53.6387 41.2065 176.1951 47 V 3.7878 7.8091 120.7637 61.6062 32.1381 174.2440 48 P 4.3022 0.0000 0.0000 62.7221 32.2745 176.6566 49 L 3.8965 8.8205 123.5751 58.5772 41.6705 179.3665 50 E 4.0714 8.1266 114.6756 58.3298 29.9677 177.5175 51 E 4.3568 8.0618 118.7526 56.2452 30.0982 177.5378 52 L 3.5300 7.3113 120.3114 57.5964 41.4553 179.3166 53 S 3.6938 7.4156 110.8918 60.0461 63.1682 174.9458 54 G 3.6955 7.5757 109.0498 46.2579 0.0000 173.6391 55 N 4.6351 7.8686 119.7341 52.4181 40.7483 175.4343 56 A 4.0279 8.5574 129.3321 55.4125 18.6202 180.0215 57 R 4.0561 8.1716 116.2297 59.0759 30.2117 178.6421 58 F 3.5032 8.5466 120.9193 61.3462 39.2112 177.4354 59 R 3.9732 8.4199 117.4532 59.1401 29.8326 178.9737 60 A 3.9962 8.2191 120.6632 55.4777 18.4219 179.2392 61 H 4.1414 8.3351 116.6277 59.1276 29.8426 177.1898 62 A 3.9254 8.1108 123.1944 55.2709 18.1100 179.9432 63 G 3.5977 8.2778 104.1823 47.8233 0.0000 176.1502 64 R 3.9481 8.0060 120.3466 59.1255 30.0717 179.0892 65 I 3.8265 7.7320 119.5118 64.5746 37.0796 178.5161 66 I 4.1386 7.6950 120.2582 64.7726 36.9032 178.8307 67 R 4.0782 8.5344 119.2859 59.1893 29.8520 179.3521 68 V 3.4402 8.1935 118.4574 65.9021 31.3942 178.0950 69 F 3.9586 8.3797 117.6674 60.4611 38.7207 177.1273 70 D 4.5890 8.7840 117.9849 57.5628 40.9023 178.0647 71 E 4.0222 8.3659 118.2822 59.5776 29.6315 179.3641 72 S 4.3084 7.9952 115.0890 61.7904 63.0820 176.8762 73 I 3.6611 7.9761 122.6688 64.2670 36.5095 178.4333 74 Q 4.0877 8.0079 118.2925 58.7332 28.6647 178.5934 75 V 3.9375 7.6221 111.6285 61.2447 32.0471 176.3187 76 L 3.9987 7.0328 119.0368 55.9174 41.8667 177.8628 77 G 3.8972 8.8145 109.5880 45.7452 0.0000 172.8908 78 Q 4.7063 7.2202 116.7072 53.2682 31.9525 174.7054 79 D 4.4640 8.3426 119.1807 56.0816 41.3243 177.4895 80 G 4.0637 8.9177 110.5742 45.4241 0.0000 174.8048 81 D 4.3249 7.9905 120.6024 56.6831 39.1974 178.7773 82 L 3.9703 7.8378 120.5643 57.0808 41.5453 179.2483 83 E 3.9696 8.0917 117.9685 59.4984 29.4420 179.4861 84 K 4.0193 8.4053 118.8313 59.2771 32.0370 179.5043 85 L 4.1207 8.2595 119.6571 57.8380 41.5560 178.9580 86 D 4.3610 8.3250 118.0509 57.2331 41.2258 177.8992 87 E 3.8850 8.3329 119.7056 59.3633 29.6968 178.5577 88 I 3.4684 7.8301 119.8728 64.4641 37.2218 178.4080 89 W 4.1556 8.2999 118.9369 59.2439 28.9061 179.0195 90 T 3.9045 8.1300 116.2900 66.3926 67.7667 176.5282 91 K 3.9112 7.9048 121.1050 59.4225 31.9966 178.8776 92 I 3.6417 7.3972 118.8663 64.2869 37.4491 177.8883 93 A 4.2676 8.1618 121.4818 55.4333 18.3638 179.9620 94 V 3.6284 8.1446 116.9471 66.1696 31.3461 178.3537 95 S 4.1816 8.2571 114.3456 61.2177 62.8472 175.3853 96 H 4.6150 8.1767 116.9645 56.0694 28.9049 177.0185 97 I 4.2421 7.5500 122.0125 63.4110 37.0610 176.0775 98 P 4.4725 0.0000 0.0000 64.0444 31.1914 176.8218 99 R 4.3378 8.0644 116.8802 55.0921 31.2582 176.0843 100 T 3.3499 7.6637 107.6413 62.5237 67.9425 173.6852 101 V 3.7179 7.2150 121.6727 62.7246 32.0564 175.4862 102 S 4.6872 8.3210 122.9419 57.6729 65.2949 174.9962 103 K 3.8828 8.6358 121.9998 59.3773 31.5388 179.2948 104 E 3.9411 8.1535 119.2292 59.3149 29.5930 178.6423 105 S 4.5752 8.2497 114.5953 61.1986 62.4039 175.5740 106 Y 4.3115 8.1907 119.4137 61.5470 37.5538 178.7068 107 N 4.6174 9.0354 117.5993 56.2365 38.1461 177.4754 108 Q 3.6567 8.5463 120.1181 58.9402 28.7194 178.8030 109 L 3.9742 8.1841 121.2247 57.6865 42.0177 178.7240 110 K 3.8747 8.4838 120.1820 59.6435 32.1245 179.0677 111 G 3.6584 7.9307 105.6765 47.6543 0.0000 175.9023 112 V 3.7001 7.6538 119.3958 65.7668 31.5576 178.1350 113 I 3.5939 8.0966 120.0048 64.5336 36.9424 178.4481 114 L 3.8500 7.8356 119.6555 57.5523 41.4303 179.1095 115 D 4.2418 8.1749 118.0780 57.3131 41.1281 178.5243 116 V 3.5182 7.8936 118.8258 66.0537 31.5447 178.0267 117 L 3.7469 7.8367 118.7337 57.8357 41.2784 179.5462 118 T 3.7211 7.9140 115.6045 66.5002 68.3750 176.5592 119 A 3.8934 7.8592 122.1194 55.1515 18.2583 179.5434 120 A 3.8641 8.0293 119.3926 54.9769 18.5078 178.5756 121 S 4.5230 8.0321 108.5733 57.5183 63.6639 174.4204 122 S 3.7135 7.4753 115.1623 59.5121 60.4922 173.0376 123 L 4.3460 7.9652 119.3459 54.3969 42.5190 178.5023 124 D 4.7193 9.0138 124.0809 52.6008 41.9267 177.3316 125 E 3.9907 8.5947 118.1672 59.7303 29.3878 179.8003 126 S 4.1598 8.0876 114.6737 61.6973 62.9789 176.6126 127 Q 4.0727 9.0839 120.9782 58.9184 28.3830 178.6131 128 A 4.1229 8.5827 122.0903 55.1359 18.3982 179.5440 129 A 3.9680 8.2783 119.3618 55.4996 18.3816 180.0252 130 T 3.7748 7.9540 114.2202 66.5724 68.4573 176.8383 131 W 3.9090 8.2587 120.6162 59.7842 29.1124 178.4623 132 A 3.9690 8.5194 120.9701 54.8725 17.7401 179.5986 133 K 3.8498 8.1051 118.4053 59.4048 32.2661 178.8184 134 L 3.7982 7.6061 120.1859 58.1904 41.9675 179.1512 135 V 3.5473 7.9702 118.3346 66.1001 31.4086 177.6755 136 D 4.1313 8.4409 119.0693 57.3242 40.4482 178.2033 137 H 3.9316 8.1140 118.7385 59.4994 29.9287 177.8759 138 V 3.1852 7.5479 113.9816 64.2581 30.9945 178.2433 139 Y 3.2441 8.0847 116.6932 60.4754 37.3987 178.1711 140 A 3.9857 7.8948 121.8899 55.1934 18.2013 179.8230 141 I 3.5765 6.8963 117.2678 64.4856 37.4904 178.2555 142 I 3.7807 7.3742 120.5642 64.6002 36.7463 178.3378 143 F 4.5661 8.0841 116.3814 59.0539 38.8990 176.8983 144 K 4.3373 7.7281 116.9626 57.2410 32.8839 176.8855 145 A 4.6613 7.9742 122.0640 52.0611 20.2469 176.3979 146 I 4.8506 7.2625 107.8108 58.6627 40.9681 174.6239 147 D 4.6812 8.5743 121.8290 52.2968 40.8161 176.9988 148 D 4.2284 8.5270 117.8385 57.3225 40.7290 177.9859 149 D 4.5662 8.1846 115.9568 54.3380 41.4290 177.0810 150 G 4.1190 8.2637 108.1087 46.5740 0.0000 173.5012 151 N 4.8907 8.4043 117.5206 51.6404 39.5839 174.5594 152 A 4.3246 8.2334 122.2617 52.0295 19.0533 177.9787 153 K 4.1034 8.5917 118.4098 56.9455 32.0666 177.1976 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.29 4.45 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 2 N 9.03 4.53 0.00 2.96 2.92 0.00 0.00 6.63 6.75 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 3 S 9.21 4.14 0.00 3.87 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 4 D 8.04 4.36 0.00 2.66 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 5 E 8.01 3.87 0.00 2.10 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 2.35 2.32 0.00 6 V 7.71 3.44 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 0.89 0.00 0.00 0.91 0.00 0.00 7 Q 8.01 3.93 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 8 L 8.09 3.96 0.00 1.84 1.78 1.01 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.64 3.30 1.63 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 1.00 0.20 0.04 0.00 0.00 10 K 7.83 4.07 0.00 1.89 1.95 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.21 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.61 7.81 11 K 8.41 4.26 0.00 1.83 1.92 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.70 1.63 7.81 12 T 8.46 4.09 4.48 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 1.40 0.00 0.00 13 W 8.96 4.70 0.00 3.95 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 14 E 7.96 3.92 0.00 2.07 2.01 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 2.41 2.69 0.00 15 I 7.47 3.78 1.83 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 1.55 0.93 0.85 0.00 0.00 16 P 0.00 4.13 0.00 1.94 2.13 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.89 0.00 17 V 6.74 3.18 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 0.53 0.00 0.00 0.81 0.00 0.00 18 A 7.44 4.12 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 19 T 7.38 4.53 4.19 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 1.16 0.00 0.00 20 P 0.00 4.17 0.00 2.17 2.15 0.00 3.56 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 2.10 2.24 0.00 21 T 7.80 3.87 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 1.24 0.00 0.00 22 D 7.96 4.39 0.00 2.66 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 23 S 8.38 4.16 0.00 3.84 3.82 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 24 G 8.44 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 A 8.34 4.25 1.58 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 26 A 8.31 3.99 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 27 I 7.64 3.63 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.68 0.86 0.00 0.00 28 L 8.22 3.89 0.00 1.66 1.41 0.73 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.69 4.20 4.34 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 1.36 0.00 0.00 30 Q 8.15 3.97 0.00 2.27 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.08 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 31 F 8.45 4.49 0.00 3.07 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 32 F 8.22 4.46 0.00 3.28 3.03 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 33 N 8.47 4.34 0.00 2.86 2.97 0.00 0.00 7.24 7.23 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 34 R 7.83 3.80 0.00 0.97 0.66 0.00 3.06 0.00 0.00 2.98 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.60 0.00 35 F 7.90 5.04 0.00 2.87 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.62 0.00 2.28 2.34 0.00 3.97 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.89 0.00 37 S 8.23 4.19 0.00 4.09 4.21 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 0.00 0.00 0.00 0.00 38 N 8.22 4.52 0.00 2.79 3.17 0.00 0.00 6.69 6.28 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 39 L 8.02 3.71 0.00 1.78 1.58 0.87 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 40 E 7.95 4.05 0.00 2.05 1.99 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 2.50 2.49 0.00 41 K 7.89 4.01 0.00 1.50 1.48 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.56 7.81 42 F 7.25 4.63 0.00 2.17 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 43 P 0.00 4.31 0.00 2.25 2.21 0.00 3.82 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.04 0.00 44 F 7.47 4.81 0.00 3.21 3.32 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 45 R 7.56 3.85 0.00 1.92 2.33 0.00 3.02 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 46 D 7.89 4.73 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 47 V 7.81 3.79 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 0.63 0.00 0.00 1.04 0.00 0.00 48 P 0.00 4.30 0.00 2.17 1.94 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 49 L 8.82 3.90 0.00 1.74 1.67 0.99 0.95 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 50 E 8.13 4.07 0.00 2.12 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 0.00 2.23 2.31 0.00 51 E 8.06 4.36 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 52 L 7.31 3.53 0.00 1.14 0.46 0.99 0.56 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 53 S 7.42 3.69 0.00 3.93 3.82 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 54 G 7.58 3.70 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 0.00 0.00 0.00 55 N 7.87 4.64 0.00 2.64 2.60 0.00 0.00 7.01 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.56 4.03 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 57 R 8.17 4.06 0.00 2.35 2.35 0.00 3.30 0.00 0.00 3.44 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.81 0.00 58 F 8.55 3.50 0.00 1.81 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 59 R 8.42 3.97 0.00 2.11 2.02 0.00 3.23 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.99 0.00 60 A 8.22 4.00 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 61 H 8.34 4.14 0.00 3.41 3.25 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 62 A 8.11 3.93 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 63 G 8.28 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 64 R 8.01 3.95 0.00 2.01 1.95 0.00 3.19 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 65 I 7.73 3.83 2.09 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 1.62 0.64 1.17 0.00 0.00 66 I 7.70 4.14 2.10 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 1.77 1.15 1.04 0.00 0.00 67 R 8.53 4.08 0.00 1.95 2.02 0.00 3.16 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.83 0.00 68 V 8.19 3.44 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 0.01 0.00 0.00 0.76 0.00 0.00 69 F 8.38 3.96 0.00 3.59 2.66 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 70 D 8.78 4.59 0.00 3.45 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 71 E 8.37 4.02 0.00 2.07 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 2.50 2.46 0.00 72 S 8.00 4.31 0.00 4.10 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 73 I 7.98 3.66 1.64 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.79 0.81 0.00 0.00 74 Q 8.01 4.09 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.92 0.00 0.00 0.00 0.00 0.00 2.47 2.66 0.00 75 V 7.62 3.94 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.99 0.00 0.00 76 L 7.03 4.00 0.00 1.59 1.51 0.73 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.81 3.90 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 0.00 0.00 0.00 78 Q 7.22 4.71 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 79 D 8.34 4.46 0.00 2.64 2.60 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 80 G 8.92 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 81 D 7.99 4.32 0.00 2.84 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 82 L 7.84 3.97 0.00 1.71 1.77 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.09 3.97 0.00 2.21 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 2.46 0.00 84 K 8.41 4.02 0.00 1.83 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.58 7.81 85 L 8.26 4.12 0.00 1.89 1.86 0.89 1.31 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 86 D 8.32 4.36 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 87 E 8.33 3.88 0.00 2.07 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 2.26 2.33 0.00 88 I 7.83 3.47 1.82 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 1.35 0.40 0.02 0.00 0.00 89 W 8.30 4.16 0.00 3.46 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 90 T 8.13 3.90 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 1.22 0.00 0.00 91 K 7.90 3.91 0.00 1.79 1.85 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.44 7.81 92 I 7.40 3.64 1.95 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.05 1.03 0.00 0.00 93 A 8.16 4.27 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 94 V 8.14 3.63 2.09 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 0.98 0.00 0.00 0.99 0.00 0.00 95 S 8.26 4.18 0.00 4.06 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 96 H 8.18 4.62 0.00 3.43 3.38 0.00 5.83 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 7.55 4.24 2.02 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 1.49 1.96 0.92 0.00 0.00 98 P 0.00 4.47 0.00 2.01 2.08 0.00 3.72 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 2.01 2.09 0.00 99 R 8.06 4.34 0.00 1.81 1.79 0.00 3.28 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 100 T 7.66 3.35 4.34 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 1.20 0.00 0.00 101 V 7.22 3.72 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 0.27 0.00 0.00 0.86 0.00 0.00 102 S 8.32 4.69 0.00 4.23 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 0.00 103 K 8.64 3.88 0.00 1.55 1.30 0.00 1.47 0.00 0.00 0.61 0.00 0.00 2.21 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.30 1.18 7.81 104 E 8.15 3.94 0.00 2.03 1.94 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 2.32 2.35 0.00 105 S 8.25 4.58 0.00 3.94 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 8.19 4.31 0.00 3.48 3.03 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 0.00 107 N 9.04 4.62 0.00 3.05 2.98 0.00 0.00 7.22 7.39 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 0.00 108 Q 8.55 3.66 0.00 2.26 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.74 0.00 0.00 0.00 0.00 0.00 1.16 2.09 0.00 109 L 8.18 3.97 0.00 1.14 1.84 0.27 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.48 3.87 0.00 1.75 1.93 0.00 1.11 0.00 0.00 1.42 0.00 0.00 2.66 0.00 0.00 2.15 0.00 0.00 0.00 0.00 1.14 0.66 7.81 111 G 7.93 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 0.00 112 V 7.65 3.70 2.35 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 1.19 0.00 0.00 1.33 0.00 0.00 113 I 8.10 3.59 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.58 0.55 0.00 0.00 114 L 7.84 3.85 0.00 1.65 1.66 0.84 0.94 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 0.00 115 D 8.17 4.24 0.00 2.89 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 0.00 116 V 7.89 3.52 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.98 0.00 0.00 117 L 7.84 3.75 0.00 1.25 0.92 0.11 0.50 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 0.00 118 T 7.91 3.72 4.35 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 1.22 0.00 0.00 119 A 7.86 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 0.00 120 A 8.03 3.86 1.25 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 0.00 0.00 121 S 8.03 4.52 0.00 3.89 3.90 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 0.00 122 S 7.48 3.71 0.00 3.97 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 0.00 123 L 7.97 4.35 0.00 1.62 1.65 0.68 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 124 D 9.01 4.72 0.00 2.96 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 0.00 125 E 8.59 3.99 0.00 2.04 2.05 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 0.00 2.41 2.41 0.00 126 S 8.09 4.16 0.00 4.02 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 9.08 4.07 0.00 2.25 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.61 0.00 128 A 8.58 4.12 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 8.28 3.97 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 0.00 130 T 7.95 3.77 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 1.05 0.00 0.00 131 W 8.26 3.91 0.00 3.55 3.23 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 0.00 0.00 0.00 0.00 132 A 8.52 3.97 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 0.00 133 K 8.11 3.85 0.00 1.91 1.96 0.00 1.58 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.39 7.81 134 L 7.61 3.80 0.00 1.55 1.69 0.79 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.97 3.55 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 0.66 0.00 0.00 1.07 0.00 0.00 136 D 8.44 4.13 0.00 2.77 2.61 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 0.00 137 H 8.11 3.93 0.00 3.28 3.36 0.00 5.78 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 0.00 138 V 7.55 3.19 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 0.45 0.00 0.00 0.10 0.00 0.00 139 Y 8.08 3.24 0.00 2.82 2.28 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 0.00 140 A 7.89 3.99 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 0.00 141 I 6.90 3.58 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.52 0.98 0.00 0.00 142 I 7.37 3.78 1.33 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.50 0.22 0.00 0.00 143 F 8.08 4.57 0.00 2.86 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 0.00 144 K 7.73 4.34 0.00 1.87 1.93 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.70 1.45 7.81 145 A 7.97 4.66 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 0.00 146 I 7.26 4.85 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.69 0.97 0.00 0.00 147 D 8.57 4.68 0.00 2.89 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 D 8.53 4.23 0.00 2.68 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 0.00 149 D 8.18 4.57 0.00 2.89 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.26 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 0.00 0.00 0.00 151 N 8.40 4.89 0.00 3.13 2.75 0.00 0.00 6.88 6.67 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 0.00 152 A 8.23 4.32 1.24 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 0.00 0.00 153 K 8.59 4.10 0.00 1.76 1.75 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.45 7.81