NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4807 8.3049 120.3305 55.5071 33.1815 174.4045 2 M 4.5225 8.5734 123.4887 52.8337 34.6937 170.1601 3 V 4.3919 8.2692 121.6858 60.6883 34.3658 174.1671 4 W 4.5826 8.9708 135.0000 57.6791 31.1328 175.2171 5 T 4.2503 8.1505 123.8200 61.3104 67.1263 172.6790 6 P 4.5435 0.0000 0.0000 63.1302 32.2834 175.5699 7 V 4.0299 7.3930 119.7320 62.6994 32.9129 175.3704 8 N 4.2128 8.6803 125.2948 54.8312 36.0327 173.6517 9 N 4.9116 7.5650 108.3182 53.0021 40.1583 174.1850 10 K 4.1524 8.3355 115.9958 56.4833 32.7631 176.5628 11 M 4.9852 8.3743 120.7056 53.9101 35.3042 175.3078 12 F 4.6604 8.3546 116.4828 57.3600 41.0080 176.4107 13 E 3.4809 8.2991 122.8246 57.2533 27.9629 175.7274 14 T 3.8536 8.3476 122.6155 66.2927 68.9560 174.3655 15 F 4.4958 8.9726 123.9288 57.7115 36.7636 176.3408 16 S 4.5081 8.2273 114.6715 60.1722 63.0062 174.4089 17 Y 4.3972 8.2657 117.5709 58.1401 38.1779 174.9944 18 L 4.7364 7.5806 120.0435 51.9892 43.8555 174.4426 19 P 4.4219 0.0000 0.0000 61.9927 31.7486 175.0108 20 P 4.2774 0.0000 0.0000 62.7680 31.7634 176.4261 21 L 3.9621 8.3413 122.7744 54.8244 42.1180 177.9921 22 T 4.2098 8.2079 114.0658 61.2462 71.1074 175.2339 23 D 4.3347 8.5592 121.1760 57.6087 40.7891 178.7946 24 E 3.9508 8.0822 119.3476 59.2492 29.7327 178.7711 25 Q 3.9144 7.9686 118.2723 58.7195 28.6598 178.5659 26 I 3.6708 8.0435 120.9462 64.4401 37.1652 178.1510 27 A 4.0075 8.1584 121.3080 55.3543 18.2673 179.5737 28 A 3.9605 8.1165 119.0866 55.3820 18.4093 179.9363 29 Q 4.0932 8.0313 116.6461 59.0624 28.7937 179.0889 30 V 3.7472 8.3296 119.6836 66.1672 31.5799 177.7599 31 D 4.4374 8.4576 118.8308 57.5915 40.3621 178.2581 32 Y 4.1900 8.0458 119.7296 60.5602 38.8657 177.8767 33 I 3.9409 7.9998 120.8698 64.5949 37.3057 178.6034 34 V 3.5194 7.8771 118.5990 65.9743 31.1833 177.8335 35 A 3.8944 8.1150 119.6845 54.6440 18.2269 178.3409 36 N 4.1096 7.0237 112.0229 52.0106 38.7318 175.6116 37 G 3.7992 7.4385 108.2565 46.1688 0.0000 174.1604 38 W 4.9366 7.4798 118.7131 56.1106 30.6169 176.3455 39 I 4.4794 9.0627 123.4564 59.2905 37.8084 173.9223 40 P 4.8802 0.0000 0.0000 63.1636 32.7265 174.9195 41 C 5.0449 9.0962 121.3740 58.2729 35.6544 172.3189 42 L 5.3192 8.7498 123.9549 53.2467 44.2401 175.1990 43 E 5.6208 9.1839 121.2055 54.8784 34.0371 174.6590 44 F 5.6147 9.0779 116.0479 55.8116 42.0799 173.0894 45 A 4.5062 8.3519 120.7493 50.0121 22.6142 176.1963 46 E 4.2433 8.7007 119.0214 55.8521 30.5992 177.6818 47 A 4.2847 8.8757 123.0027 55.8773 18.4208 179.9005 48 D 4.4786 8.1780 113.4346 56.4966 41.0618 177.2521 49 K 4.6041 7.9137 117.0252 56.0599 32.4607 176.9105 50 A 3.9110 7.6588 124.6217 53.9583 18.8809 178.3116 51 Y 4.6543 7.4435 111.3909 55.5920 40.1189 175.7494 52 V 3.8083 8.3746 122.3337 63.9177 31.9940 175.2797 53 S 4.7596 8.7908 119.5024 57.5732 66.2362 173.6674 54 N 5.1648 8.5777 114.4363 52.7108 39.9701 176.2829 55 E 3.9290 8.3135 117.8584 59.5370 29.7561 179.3431 56 S 4.1392 8.6843 115.1062 60.5257 62.8006 175.9364 57 A 2.5800 7.6995 123.4450 53.5439 17.7381 179.0421 58 I 3.5641 6.7986 115.5744 63.8239 38.0223 177.1487 59 R 4.2587 7.3813 116.2257 55.7816 30.5110 176.2863 60 F 5.0810 7.0987 118.1382 55.9505 41.2944 177.4635 61 G 4.0308 8.2383 117.0138 46.2930 0.0000 175.6407 62 S 4.5950 8.4414 114.1889 58.5338 60.8380 174.5056 63 V 4.4577 7.2858 108.7442 61.1215 33.3446 178.2646 64 S 4.2074 8.2083 115.2906 59.6858 63.4534 173.2206 65 C 3.9791 7.2450 119.2315 61.3830 27.8900 173.2759 66 L 3.5672 8.4043 123.5787 55.6217 38.9041 173.3413 67 Y 4.3592 7.7255 119.7401 56.0027 39.8489 174.5752 68 Y 4.8835 7.2520 123.4647 56.2366 42.3656 174.8408 69 D 4.4771 8.8167 123.5261 55.4081 41.6530 176.8697 70 N 4.4976 8.9001 116.4060 54.2013 36.0033 176.0814 71 R 3.9390 7.9885 118.5830 59.3757 30.3410 177.1722 72 Y 4.3465 7.6698 114.5441 57.9852 38.3412 175.3384 73 W 5.0586 8.6800 124.2594 55.4607 32.6137 174.5300 74 T 4.3294 8.0817 117.0919 62.5489 69.5129 174.6197 75 M 4.5992 8.5424 126.6409 55.3500 33.1997 175.2117 76 W 4.8547 9.5539 135.0000 56.0034 31.2711 176.8739 77 K 3.4236 8.5344 129.0180 57.6356 30.5416 177.9204 78 L 4.9241 8.2359 125.2555 52.6520 45.0367 174.0387 79 P 4.2456 0.0000 0.0000 63.4501 32.0307 177.5970 80 M 4.2904 8.5857 123.5021 53.6998 30.4301 175.2707 81 F 4.4660 7.4747 119.4047 58.6221 39.9937 176.4012 82 G 3.9882 9.1162 112.2695 45.6149 0.0000 173.1404 83 C 4.2931 7.8398 120.5196 59.6685 31.7782 173.2498 84 R 4.5873 8.6033 124.6487 55.5993 31.2825 174.6237 85 D 4.7006 7.8993 117.6843 51.1790 42.9492 174.0622 86 P 4.3279 0.0000 0.0000 65.9904 31.2407 178.4464 87 M 4.1077 8.1351 117.1628 58.3945 31.8455 178.5266 88 Q 4.0043 8.1477 119.8428 59.0446 29.2047 178.5809 89 V 3.6024 7.6445 118.8210 65.9812 31.7265 177.7277 90 L 4.0093 7.9934 118.7264 58.0533 41.4282 179.7863 91 R 3.9647 8.4308 118.2577 59.3366 29.9828 179.0393 92 E 4.0972 8.2754 118.3573 59.2163 29.3713 179.1975 93 I 3.4834 7.8048 119.9789 64.4013 37.2094 178.4149 94 V 3.4600 7.6572 118.5104 66.0697 31.3346 177.9187 95 A 3.9442 8.0657 120.4522 55.1149 18.2300 179.2244 96 C 2.0000 7.8511 117.6857 62.0988 31.2865 175.9914 97 T 3.7364 7.6781 111.4642 64.3538 67.9266 176.4154 98 K 3.8186 7.5736 121.7660 59.3432 32.3525 178.4740 99 A 3.9737 7.5712 119.8167 53.5640 19.6858 177.6259 100 F 4.7059 7.6919 115.6667 54.9678 39.1332 173.9168 101 P 4.4084 0.0000 0.0000 64.2340 31.8499 177.9160 102 D 4.6641 8.0738 116.5199 53.8754 41.2761 175.4666 103 A 4.7690 7.3012 121.4788 50.4566 21.2781 176.9730 104 Y 4.1937 8.5731 117.7489 57.8197 39.4365 175.2611 105 V 5.1743 8.7968 123.2742 61.1159 35.1366 174.2955 106 R 4.9965 9.4497 123.9358 54.2622 33.0012 173.8687 107 L 4.8355 8.1040 123.5226 53.9463 43.7859 175.6878 108 V 4.8114 8.6701 118.2827 59.4944 36.4557 174.1916 109 A 4.9748 8.0878 121.6989 50.3944 22.8994 175.1498 110 F 5.2498 9.0132 119.4310 55.6811 42.7692 174.0345 111 D 5.4425 8.8578 122.4660 52.7053 42.6222 176.4537 112 N 4.7769 9.1637 122.7637 53.9568 38.4434 176.2766 113 Q 4.1896 8.7716 118.9063 58.8515 29.0247 177.4630 114 K 4.0478 8.2707 114.3860 56.7371 33.0795 176.4144 115 Q 3.4201 7.9668 118.7822 55.9463 27.1051 172.7779 116 V 4.5199 7.7493 117.0376 60.0549 35.0520 174.2120 117 Q 4.3480 8.7390 123.3538 56.5570 29.3147 175.5560 118 I 4.1777 8.1149 123.9632 60.9855 39.8673 174.2864 119 M 4.6012 6.7839 119.5047 55.0109 35.7566 173.2242 120 G 4.8288 8.3633 107.8400 46.8672 0.0000 172.4564 121 F 5.0684 7.1766 117.1755 55.3133 41.2051 172.8950 122 L 4.5427 8.7990 122.8998 55.5598 42.0513 176.7917 123 V 4.5293 8.9490 118.1088 61.3492 34.0806 175.5956 124 Q 4.5982 7.7939 121.3156 54.4470 32.4131 173.1739 125 R 4.4037 8.0823 121.7009 52.8820 32.6752 173.6051 126 P 4.1695 0.0000 0.0000 62.8368 31.6714 177.6678 127 K 4.0739 8.4998 120.2444 59.2270 32.1371 178.0648 128 S 4.3873 7.9605 110.8549 58.5035 63.5562 174.0837 129 A 4.2978 7.8949 125.8076 52.8477 18.3698 177.5329 130 R 4.6097 8.8556 120.3202 55.9926 31.5996 175.5017 131 D 4.9474 8.4429 117.2876 52.5504 39.7382 175.5815 132 W 5.5905 7.5907 114.2884 54.1549 31.3291 174.0097 133 Q 4.3356 8.4424 117.9927 52.9342 30.8994 174.2014 134 P 4.5319 0.0000 0.0000 62.4440 32.0986 176.9010 135 A 3.9981 9.0061 123.4602 55.7013 18.1307 179.3542 136 N 4.5983 8.1067 109.3238 54.0935 37.7659 175.5130 137 K 4.4415 7.8027 117.4727 56.3239 32.9126 177.3372 138 R 3.5873 7.5665 120.9463 57.7434 30.1448 176.6424 139 S 5.0903 7.4915 110.2508 56.3162 66.0658 174.2481 140 V 3.9873 8.4496 114.3072 61.7443 32.1748 175.6425 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 8.30 4.48 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 2 M 8.57 4.52 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 3 V 8.27 4.39 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 1.09 0.00 0.00 0.97 0.00 0.00 4 W 8.97 4.58 0.00 3.46 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 5 T 8.15 4.25 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 6 P 0.00 4.54 0.00 2.23 2.19 0.00 3.78 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 1.95 1.96 0.00 7 V 7.39 4.03 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 0.76 0.00 0.00 0.90 0.00 0.00 8 N 8.68 4.21 0.00 2.97 2.88 0.00 0.00 6.51 6.92 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 9 N 7.57 4.91 0.00 2.65 2.67 0.00 0.00 7.31 6.68 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 10 K 8.34 4.15 0.00 1.94 1.50 0.00 0.61 0.00 0.00 1.08 0.00 0.00 2.60 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.35 1.47 7.81 11 M 8.37 4.99 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.69 0.00 12 F 8.35 4.66 0.00 3.10 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.30 3.48 0.00 2.14 1.71 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 2.21 2.14 0.00 14 T 8.35 3.85 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 0.13 0.00 0.00 15 F 8.97 4.50 0.00 3.31 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 16 S 8.23 4.51 0.00 4.15 4.20 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 0.00 0.00 0.00 0.00 17 Y 8.27 4.40 0.00 3.02 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 18 L 7.58 4.74 0.00 1.86 1.62 0.92 0.99 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 19 P 0.00 4.42 0.00 2.04 2.01 0.00 3.71 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 2.04 2.15 0.00 20 P 0.00 4.28 0.00 2.05 2.00 0.00 3.73 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 2.11 2.20 0.00 21 L 8.34 3.96 0.00 1.58 1.49 0.34 0.54 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 22 T 8.21 4.21 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 1.18 0.00 0.00 23 D 8.56 4.33 0.00 2.70 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 24 E 8.08 3.95 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 25 Q 7.97 3.91 0.00 2.29 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 26 I 8.04 3.67 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.86 1.08 0.00 0.00 27 A 8.16 4.01 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 28 A 8.12 3.96 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 29 Q 8.03 4.09 0.00 2.47 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.34 1.86 0.00 30 V 8.33 3.75 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 1.14 0.00 0.00 1.08 0.00 0.00 31 D 8.46 4.44 0.00 2.96 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 32 Y 8.05 4.19 0.00 3.21 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 33 I 8.00 3.94 2.17 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 1.71 1.28 1.06 0.00 0.00 34 V 7.88 3.52 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 1.01 0.00 0.00 0.96 0.00 0.00 35 A 8.11 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.02 4.11 0.00 1.44 1.42 0.00 0.00 7.01 7.40 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 37 G 7.44 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 W 7.48 4.94 0.00 3.36 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 39 I 9.06 4.48 2.14 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.99 0.77 0.00 0.00 40 P 0.00 4.88 0.00 2.21 2.20 0.00 3.64 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 41 C 9.10 5.04 0.00 3.10 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 42 L 8.75 5.32 0.00 1.85 1.62 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.18 5.62 0.00 2.07 2.06 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 2.36 2.31 0.00 44 F 9.08 5.61 0.00 3.05 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 45 A 8.35 4.51 -0.15 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 0.00 0.00 46 E 8.70 4.24 0.00 2.18 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 2.30 2.29 0.00 47 A 8.88 4.28 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 48 D 8.18 4.48 0.00 2.71 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 49 K 7.91 4.60 0.00 1.51 1.71 0.00 1.70 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.42 7.81 50 A 7.66 3.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.44 4.65 0.00 2.94 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 52 V 8.37 3.81 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 0.61 0.00 0.00 0.76 0.00 0.00 53 S 8.79 4.76 0.00 4.08 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 54 N 8.58 5.16 0.00 2.77 2.85 0.00 0.00 6.57 7.66 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 55 E 8.31 3.93 0.00 2.10 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 2.39 2.32 0.00 56 S 8.68 4.14 0.00 4.09 3.75 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 57 A 7.70 2.58 1.14 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 0.00 0.00 58 I 6.80 3.56 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.81 0.87 0.00 0.00 59 R 7.38 4.26 0.00 1.92 2.01 0.00 3.19 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 60 F 7.10 5.08 0.00 3.00 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 61 G 8.24 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 62 S 8.44 4.59 0.00 3.86 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 63 V 7.29 4.46 1.86 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 0.79 0.00 0.00 0.49 0.00 0.00 64 S 8.21 4.21 0.00 4.10 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 0.00 65 C 7.25 3.98 0.00 3.07 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 66 L 8.40 3.57 0.00 1.79 1.77 0.94 0.99 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 67 Y 7.73 4.36 0.00 2.96 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 68 Y 7.25 4.88 0.00 2.81 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 69 D 8.82 4.48 0.00 2.80 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 N 8.90 4.50 0.00 3.06 3.26 0.00 0.00 6.98 7.66 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 71 R 7.99 3.94 0.00 1.53 1.68 0.00 3.09 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 72 Y 7.67 4.35 0.00 3.05 2.87 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 73 W 8.68 5.06 0.00 3.08 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 74 T 8.08 4.33 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 0.93 0.00 0.00 75 M 8.54 4.60 0.00 2.08 2.03 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 2.70 2.77 0.00 76 W 9.55 4.85 0.00 3.70 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 77 K 8.53 3.42 0.00 1.72 0.85 0.00 1.72 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.79 0.21 7.81 78 L 8.24 4.92 0.00 1.60 1.57 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.25 0.00 0.67 1.82 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.13 0.00 80 M 8.59 4.29 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 81 F 7.47 4.47 0.00 3.10 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 82 G 9.12 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 83 C 7.84 4.29 0.00 2.99 3.05 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 0.00 0.00 0.00 84 R 8.60 4.59 0.00 1.80 1.86 0.00 3.22 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 85 D 7.90 4.70 0.00 2.71 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 86 P 0.00 4.33 0.00 2.22 2.13 0.00 3.67 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 2.13 2.20 0.00 87 M 8.14 4.11 0.00 2.03 2.26 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.71 0.00 88 Q 8.15 4.00 0.00 2.35 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 89 V 7.64 3.60 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.97 0.00 0.00 90 L 7.99 4.01 0.00 1.90 1.72 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.43 3.96 0.00 2.00 2.02 0.00 3.15 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 92 E 8.28 4.10 0.00 2.23 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 2.62 2.65 0.00 93 I 7.80 3.48 1.99 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 1.34 0.82 0.85 0.00 0.00 94 V 7.66 3.46 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 0.97 0.00 0.00 0.94 0.00 0.00 95 A 8.07 3.94 1.53 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 0.00 0.00 96 C 7.85 2.00 0.00 1.23 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 0.00 0.00 0.00 0.00 97 T 7.68 3.74 4.28 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 1.11 0.00 0.00 98 K 7.57 3.82 0.00 1.82 1.93 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.38 7.81 99 A 7.57 3.97 1.16 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 0.00 100 F 7.69 4.71 0.00 2.80 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 0.00 101 P 0.00 4.41 0.00 2.12 2.11 0.00 3.28 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.87 0.00 102 D 8.07 4.66 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 0.00 103 A 7.30 4.77 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 0.00 104 Y 8.57 4.19 0.00 2.54 2.71 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 0.00 105 V 8.80 5.17 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 0.95 0.00 0.00 0.87 0.00 0.00 106 R 9.45 5.00 0.00 1.83 1.91 0.00 2.31 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.33 0.00 107 L 8.10 4.84 0.00 1.50 0.73 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.67 4.81 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 0.51 0.00 0.00 0.53 0.00 0.00 109 A 8.09 4.97 1.21 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 0.00 0.00 110 F 9.01 5.25 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 0.00 111 D 8.86 5.44 0.00 2.36 2.40 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 0.00 112 N 9.16 4.78 0.00 2.93 3.05 0.00 0.00 6.31 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 0.00 113 Q 8.77 4.19 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.99 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 114 K 8.27 4.05 0.00 1.75 1.86 0.00 2.03 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.45 7.81 115 Q 7.97 3.42 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 116 V 7.75 4.52 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 0.54 0.00 0.00 0.91 0.00 0.00 117 Q 8.74 4.35 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.84 0.00 0.00 0.00 0.00 0.00 2.18 1.87 0.00 118 I 8.11 4.18 1.25 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.41 -0.47 0.00 0.00 119 M 6.78 4.60 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 120 G 8.36 4.83 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 0.00 0.00 0.00 121 F 7.18 5.07 0.00 3.22 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.80 4.54 0.00 1.62 1.61 0.66 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.95 4.53 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 0.72 0.00 0.00 0.91 0.00 0.00 124 Q 7.79 4.60 0.00 1.98 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 125 R 8.08 4.40 0.00 1.12 1.44 0.00 2.21 0.00 0.00 2.65 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.24 0.00 126 P 0.00 4.17 0.00 2.11 2.18 0.00 2.20 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 127 K 8.50 4.07 0.00 2.02 1.93 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.00 7.81 128 S 7.96 4.39 0.00 4.01 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 0.00 129 A 7.89 4.30 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.86 4.61 0.00 1.82 1.91 0.00 3.19 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.78 0.00 131 D 8.44 4.95 0.00 2.94 2.99 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 0.00 132 W 7.59 5.59 0.00 3.66 3.21 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 0.00 133 Q 8.44 4.34 0.00 1.88 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.04 0.00 0.00 0.00 0.00 0.00 2.31 2.03 0.00 134 P 0.00 4.53 0.00 2.36 2.11 0.00 3.40 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.76 0.00 135 A 9.01 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 0.00 136 N 8.11 4.60 0.00 2.83 2.95 0.00 0.00 5.84 7.13 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 0.00 137 K 7.80 4.44 0.00 1.59 1.68 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.28 1.40 7.81 138 R 7.57 3.59 0.00 1.48 0.66 0.00 3.03 0.00 0.00 3.01 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.68 0.00 139 S 7.49 5.09 0.00 4.07 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 0.00 140 V 8.45 3.99 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 0.60 0.00 0.00 0.95 0.00 0.00