NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2988 8.2649 123.5838 51.9842 20.1711 177.0170 3 R 4.2471 7.5973 111.5442 55.1250 31.7930 174.6609 4 R 4.7648 7.0887 113.5549 54.4370 33.8428 173.8609 5 R 4.2842 7.8129 113.3097 56.2008 31.0026 173.8493 6 R 4.3053 8.6235 118.1875 55.4047 31.6614 177.0219 7 A 3.6360 8.7823 127.1110 52.8437 17.2882 173.9497 8 E 4.7633 7.8692 120.4101 57.5512 35.2696 175.7396 9 V 4.0986 8.0547 120.0050 58.6749 31.5927 177.2066 10 R 3.5669 8.6164 111.5494 57.3628 26.8331 174.8267 11 Q 4.4105 9.6954 118.6624 56.3185 30.7504 176.3245 12 L 4.4722 6.5794 115.2143 54.7357 46.4827 171.5696 13 Q 4.4243 7.8182 120.0419 54.4223 30.8207 173.6170 14 P 4.1589 0.0000 0.0000 60.5307 32.8770 175.5061 15 D 4.5426 8.4498 121.2282 53.7829 43.0070 174.1798 16 L 3.9050 8.8635 127.4117 56.8726 39.0864 178.0188 17 V 3.3808 8.4656 115.5537 65.6825 33.3567 176.0439 18 Y 4.9837 7.3290 119.7085 57.9176 37.0618 176.6523 19 G 4.0302 8.6302 119.8456 47.0384 0.0000 173.6539 20 D 4.1874 8.7851 112.9839 54.9338 37.7047 174.6113 21 V 3.6962 8.3130 127.6820 65.0402 31.1547 177.6125 22 L 3.9839 8.1807 120.5460 58.0071 41.1365 179.1669 23 V 3.6294 7.9342 117.7338 66.3757 31.4076 177.7163 24 T 4.2812 7.7873 111.1762 64.5577 68.3475 176.0919 25 A 4.1840 8.4213 124.8657 54.8355 18.5731 179.2405 26 F 4.2925 8.3824 119.2286 61.8242 39.6033 177.2072 27 I 3.0443 7.3405 117.0465 63.8515 37.4569 177.2454 28 N 4.3784 7.5625 115.9136 56.0051 38.7082 176.6933 29 K 4.0273 8.0654 120.9832 59.5567 32.5463 178.4104 30 I 3.6441 7.9208 116.7561 62.3654 37.9950 177.2339 31 M 3.0351 7.6409 106.5848 53.8075 34.4142 177.5770 32 R 4.4652 9.9031 111.6275 56.9818 29.9240 177.1679 33 D 4.4241 8.9043 121.1722 55.3839 38.8174 176.9628 34 G 4.2059 8.9837 112.7550 44.6594 0.0000 174.3205 35 K 4.5632 7.5918 113.9113 55.3680 38.0399 178.2879 36 K 4.0230 8.2300 119.2469 58.8254 32.1661 177.6120 37 N 4.2078 8.2141 117.9014 57.5780 38.4204 176.3981 38 L 4.1597 7.7660 118.7087 56.6725 41.6466 178.7312 39 A 4.0345 7.9479 121.2160 54.9023 18.1393 178.9197 40 A 4.3845 7.7877 118.6185 56.2168 18.9570 179.0222 41 R 3.4195 7.7545 113.9656 61.0988 29.8594 177.9647 42 I 3.7831 7.8892 120.8671 64.1419 37.3806 178.4457 43 F 4.3689 7.7492 114.2386 60.2278 37.9637 176.4142 44 Y 3.7977 7.3477 120.0963 60.3820 38.3351 178.1132 45 D 4.1924 7.9614 119.0535 57.1730 40.8966 178.1723 46 A 4.1210 7.8993 119.4846 54.4363 18.5621 179.1404 47 C 4.2705 7.8025 115.7930 62.7019 28.3054 176.1330 48 K 4.0677 7.6064 118.5999 58.6077 31.6632 179.0057 49 I 3.9987 7.9229 120.5416 63.6121 37.1735 177.4178 50 I 4.0356 7.7373 119.3716 62.6967 36.7110 177.2919 51 Q 5.1269 7.5287 119.4719 56.8357 29.7348 177.1082 52 E 4.1399 7.6152 117.6401 59.6947 29.6321 178.0898 53 K 3.9866 8.7543 118.4906 56.7826 32.4927 176.4515 54 T 4.4693 7.2584 112.3690 60.7255 69.1615 176.2026 55 G 4.0879 8.7033 115.9076 45.9415 0.0000 172.6461 56 Q 4.6395 7.4900 118.1088 53.6238 31.2849 174.9650 57 E 3.8559 8.4667 121.1586 54.8195 30.7941 176.7225 58 P 4.1967 0.0000 0.0000 65.5485 32.3390 178.3714 59 L 3.8225 7.9428 119.7617 58.7185 39.9517 179.1966 60 K 4.0237 7.6769 119.6555 58.7923 31.6924 178.9705 61 V 3.6148 7.8921 119.1359 65.7331 31.0047 177.5193 62 F 4.2027 8.0711 120.0042 62.0742 39.2734 176.1412 63 K 3.8236 8.4399 118.3823 58.7356 31.2398 177.6722 64 Q 3.8786 8.3497 118.4703 60.1512 29.2375 178.8217 65 A 3.9538 7.4852 119.4501 55.1007 18.1504 178.9530 66 V 3.4973 7.6220 113.7751 66.0985 31.3952 178.1033 67 E 3.8794 7.8653 118.1802 59.1677 29.5874 177.7161 68 N 4.2966 7.7261 115.9581 57.0181 39.4291 177.0701 69 V 4.4944 7.6786 125.0138 58.9633 32.0534 177.6543 70 K 3.4582 9.0147 119.1591 55.5313 29.9020 172.0293 71 P 4.2786 0.0000 0.0000 63.6227 31.2606 176.7523 72 R 4.6533 8.6456 120.1521 54.8640 31.0487 175.5800 73 M 4.8391 7.0322 121.2980 55.4461 34.7034 174.9055 74 E 4.8539 8.7079 120.9355 54.7436 33.9009 174.5017 75 V 4.7502 8.0765 111.3051 60.2561 35.5667 175.1673 76 R 4.6781 8.6155 122.7773 55.2700 35.3705 173.9245 77 S 4.8057 8.3024 115.3186 57.4278 64.5878 172.3649 78 R 4.6012 8.2792 120.0551 55.6526 33.6034 173.6512 79 R 4.5413 8.4204 121.9817 55.1485 32.0407 175.0737 80 V 3.9486 8.7213 118.4059 61.6618 34.3212 176.0528 81 G 4.8942 8.1149 127.0700 45.3866 0.0000 171.4105 82 G 4.0637 8.6392 111.6094 45.6521 0.0000 171.2994 83 A 4.3898 7.3205 120.2959 52.0685 21.7296 175.7175 84 N 4.8753 8.6877 113.7989 51.9739 38.7649 174.1895 85 Y 4.4684 8.4997 123.9929 58.4747 39.8393 175.4787 86 Q 4.4717 8.1304 120.7741 54.5364 30.9729 174.1019 87 V 3.6896 8.1158 126.3765 61.6919 33.0671 172.6964 88 P 5.0816 0.0000 0.0000 61.5341 33.3969 174.0974 89 M 4.5885 8.0459 119.3717 54.8080 34.1716 173.7379 90 E 4.3388 8.5926 121.7195 56.8188 31.4419 174.8130 91 V 4.2065 7.9731 125.4963 62.4221 33.0282 175.5509 92 S 4.5654 8.2385 109.1365 55.0903 66.3997 173.5371 93 P 4.1700 0.0000 0.0000 66.5428 30.8517 179.1440 94 R 3.9856 7.9169 117.6985 58.0294 29.8855 179.2619 95 R 3.9437 7.7780 118.0069 59.0634 30.2877 178.5128 96 Q 4.0346 8.3221 115.2594 58.0995 28.7008 177.8602 97 Q 4.0192 7.7921 122.0826 59.2222 28.8775 177.3875 98 S 4.1374 7.6519 116.2259 61.9933 62.8836 177.0713 99 L 3.8793 7.6864 120.6109 58.0068 40.7963 178.5265 100 A 3.9209 7.7247 120.1442 55.0954 17.8961 179.1786 101 L 3.4044 7.6526 116.7724 57.8348 42.3070 180.0517 102 R 4.1392 7.7231 116.8615 58.9410 29.5935 178.5008 103 W 4.6231 8.4826 128.3226 61.1289 30.4374 178.1519 104 L 4.0552 7.6023 116.7067 57.3826 40.8222 179.4805 105 V 3.7902 7.7019 119.0466 65.0051 31.0792 178.2874 106 Q 4.0072 8.1197 119.4016 58.3612 28.7631 177.5554 107 A 3.8911 7.7145 120.8286 54.7302 18.2198 179.5029 108 A 4.0320 7.7121 119.1151 55.3285 18.3318 179.2997 109 N 4.3042 7.5513 113.3645 55.6565 38.7573 175.7174 110 Q 4.4333 7.3279 117.3897 56.1841 30.1854 176.4558 111 R 4.1068 7.9754 117.9089 55.4586 30.5900 175.9035 112 P 4.0065 0.0000 0.0000 65.3192 31.4868 176.8973 113 E 4.2500 7.4254 118.2049 56.3350 30.4485 176.7870 114 R 4.6773 8.0352 118.0008 54.0819 31.0219 177.0155 115 R 4.8495 7.8528 118.0522 56.5505 32.7895 174.1858 116 A 3.5474 6.2791 127.6187 55.2264 16.5717 180.7871 117 A 3.7845 7.7022 112.3901 55.6009 19.5339 179.2308 118 V 3.6526 8.0625 108.9648 64.6858 31.8553 178.8887 119 R 3.7863 7.8706 115.0787 60.0713 29.2662 178.2686 120 I 3.7016 7.9807 120.5152 63.2945 37.3187 178.2933 121 A 3.9357 9.1265 122.2553 55.6078 18.5653 179.3542 122 H 4.2686 8.3909 114.4778 59.0980 28.6640 177.7040 123 E 4.2807 7.7647 119.2510 59.3509 29.6887 178.3611 124 L 4.0925 8.3233 119.4463 58.2761 41.6199 179.4539 125 M 4.1738 7.6975 116.9915 57.9744 32.0447 178.1294 126 D 4.1685 8.1714 118.6120 56.2878 40.8028 177.5877 127 A 4.4850 7.6657 119.8311 52.4976 19.6287 178.1196 128 A 4.5348 8.3098 118.6428 52.4904 18.0287 176.4865 129 E 4.6158 8.1600 120.3028 56.3673 35.7598 175.8489 130 G 3.7468 8.4242 106.1100 46.3562 0.0000 173.5799 131 K 4.4602 8.0989 115.1919 55.8202 33.7308 176.2796 132 G 4.2811 7.5424 105.9295 46.7417 0.0000 177.2359 133 G 2.9452 8.2243 106.9992 44.5748 0.0000 179.6515 134 A 2.8033 7.8317 113.7720 51.1213 20.6679 179.4784 135 V 3.6079 8.2874 118.8468 64.3036 32.6408 176.7947 136 K 4.0692 7.5248 118.2144 58.7682 31.7998 178.9093 137 K 3.6080 8.0922 119.3616 59.0976 31.8341 178.8681 138 K 4.3687 7.3476 118.9374 59.9022 32.0960 178.5766 139 E 3.9921 8.6946 119.1221 59.2630 29.2726 178.5167 140 D 4.3606 7.8560 117.7656 57.5651 41.3484 178.8765 141 V 3.6640 8.4710 118.6951 66.0301 31.4302 177.2459 142 E 3.9296 7.9560 117.6877 59.4569 29.5961 178.4238 143 R 4.0362 8.6120 118.7214 60.2725 29.9279 178.4374 144 M 3.8533 8.0539 117.4130 57.4467 33.2304 177.3637 145 A 5.4924 7.4009 117.2572 50.0941 18.5461 175.2854 146 E 3.8871 8.3496 125.4028 57.4893 30.6642 176.4151 147 A 4.6778 7.6957 128.1565 50.5832 20.5629 175.1683 148 N 5.0021 8.4305 117.1789 53.6046 41.4180 177.2933 149 R 3.7817 8.1657 117.5682 57.5148 30.8551 177.5678 150 A 3.8154 9.0992 122.6339 54.6301 18.3289 178.3322 151 Y 4.6260 7.3473 110.8326 56.6125 38.4684 176.8460 152 A 4.3485 7.8719 123.0181 54.3364 18.6292 179.0658 153 H 4.4415 7.9604 112.2240 58.5349 28.7770 176.3414 154 Y 4.8769 7.7549 118.4660 56.2574 36.5928 175.3720 155 R 4.0607 8.2948 119.2652 57.5502 30.7079 177.6909 156 W 4.0683 8.2824 119.0638 56.5331 29.6679 173.9102 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 2 A 8.26 4.30 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 3 R 7.60 4.25 0.00 1.90 1.93 0.00 3.16 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 4 R 7.09 4.76 0.00 1.88 1.93 0.00 3.18 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 5 R 7.81 4.28 0.00 1.87 1.90 0.00 3.06 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.54 0.00 6 R 8.62 4.31 0.00 1.79 1.89 0.00 3.30 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 7 A 8.78 3.64 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 8 E 7.87 4.76 0.00 1.85 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 2.11 2.26 0.00 9 V 8.05 4.10 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 0.83 0.00 0.00 0.93 0.00 0.00 10 R 8.62 3.57 0.00 1.92 1.98 0.00 3.18 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 11 Q 9.70 4.41 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.13 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 12 L 6.58 4.47 0.00 1.72 1.73 0.94 0.69 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 13 Q 7.82 4.42 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.50 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 14 P 0.00 4.16 0.00 2.09 1.97 0.00 3.74 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 15 D 8.45 4.54 0.00 2.68 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 16 L 8.86 3.91 0.00 1.68 1.44 0.79 0.58 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 17 V 8.47 3.38 1.69 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 0.11 0.00 0.00 0.41 0.00 0.00 18 Y 7.33 4.98 0.00 3.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.63 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 20 D 8.79 4.19 0.00 2.87 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 21 V 8.31 3.70 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 0.99 0.00 0.00 1.00 0.00 0.00 22 L 8.18 3.98 0.00 1.79 1.83 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.93 3.63 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 0.26 0.00 0.00 1.01 0.00 0.00 24 T 7.79 4.28 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 25 A 8.42 4.18 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 0.00 0.00 26 F 8.38 4.29 0.00 3.23 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 27 I 7.34 3.04 1.88 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 1.57 1.04 0.99 0.00 0.00 28 N 7.56 4.38 0.00 2.94 2.94 0.00 0.00 7.17 6.56 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 29 K 8.07 4.03 0.00 1.81 1.86 0.00 1.90 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.66 7.81 30 I 7.92 3.64 1.60 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 1.47 0.90 0.66 0.00 0.00 31 M 7.64 3.04 0.00 2.09 1.54 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.68 0.00 32 R 9.90 4.47 0.00 1.88 2.28 0.00 3.70 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 33 D 8.90 4.42 0.00 2.84 2.48 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 34 G 8.98 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 0.00 0.00 0.00 35 K 7.59 4.56 0.00 1.78 1.78 0.00 1.69 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.42 7.81 36 K 8.23 4.02 0.00 2.00 1.95 0.00 1.41 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.59 7.81 37 N 8.21 4.21 0.00 2.76 2.87 0.00 0.00 6.95 6.03 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 38 L 7.77 4.16 0.00 1.74 1.72 0.92 0.66 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 39 A 7.95 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 40 A 7.79 4.38 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 41 R 7.75 3.42 0.00 2.24 1.81 0.00 3.07 0.00 0.00 3.12 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 42 I 7.89 3.78 1.93 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 1.75 0.97 0.96 0.00 0.00 43 F 7.75 4.37 0.00 3.16 3.50 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 44 Y 7.35 3.80 0.00 2.49 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 45 D 7.96 4.19 0.00 2.96 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 46 A 7.90 4.12 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 47 C 7.80 4.27 0.00 2.88 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 48 K 7.61 4.07 0.00 1.75 1.76 0.00 1.44 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.37 1.03 7.81 49 I 7.92 4.00 2.01 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 1.81 0.80 0.92 0.00 0.00 50 I 7.74 4.04 2.00 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 1.83 1.38 0.93 0.00 0.00 51 Q 7.53 5.13 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 7.06 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 52 E 7.62 4.14 0.00 2.16 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 2.34 2.50 0.00 53 K 8.75 3.99 0.00 1.78 1.68 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.50 7.81 54 T 7.26 4.47 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 1.35 0.00 0.00 55 G 8.70 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 0.00 0.00 0.00 0.00 56 Q 7.49 4.64 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.03 6.63 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 57 E 8.47 3.86 0.00 2.08 1.85 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 2.43 2.45 0.00 58 P 0.00 4.20 0.00 2.22 2.51 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 59 L 7.94 3.82 0.00 1.59 1.26 0.82 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.68 4.02 0.00 1.94 2.03 0.00 1.53 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.49 7.81 61 V 7.89 3.61 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 0.98 0.00 0.00 1.03 0.00 0.00 62 F 8.07 4.20 0.00 3.15 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 63 K 8.44 3.82 0.00 1.94 1.75 0.00 1.72 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.56 7.81 64 Q 8.35 3.88 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 65 A 7.49 3.95 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 66 V 7.62 3.50 1.81 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 0.75 0.00 0.00 0.45 0.00 0.00 67 E 7.87 3.88 0.00 2.13 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 2.30 2.33 0.00 68 N 7.73 4.30 0.00 2.78 2.85 0.00 0.00 7.33 7.59 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 69 V 7.68 4.49 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 1.10 0.00 0.00 0.96 0.00 0.00 70 K 9.01 3.46 0.00 1.95 1.73 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.52 7.81 71 P 0.00 4.28 0.00 2.04 1.76 0.00 3.61 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.65 0.00 72 R 8.65 4.65 0.00 1.77 1.92 0.00 3.33 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.76 0.00 73 M 7.03 4.84 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 74 E 8.71 4.85 0.00 1.86 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 2.41 2.19 0.00 75 V 8.08 4.75 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 0.72 0.00 0.00 0.92 0.00 0.00 76 R 8.62 4.68 0.00 1.70 1.79 0.00 3.07 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 77 S 8.30 4.81 0.00 3.87 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 78 R 8.28 4.60 0.00 1.95 1.73 0.00 3.10 0.00 0.00 3.05 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 79 R 8.42 4.54 0.00 1.63 1.74 0.00 3.35 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 80 V 8.72 3.95 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 0.00 0.00 0.37 0.00 0.00 -0.44 0.00 0.00 81 G 8.11 4.89 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 0.00 0.00 0.00 82 G 8.64 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 83 A 7.32 4.39 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 84 N 8.69 4.88 0.00 2.83 2.83 0.00 0.00 5.90 7.55 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 85 Y 8.50 4.47 0.00 2.95 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 86 Q 8.13 4.47 0.00 1.96 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.96 0.00 0.00 0.00 0.00 0.00 2.15 2.39 0.00 87 V 8.12 3.69 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 0.94 0.00 0.00 0.98 0.00 0.00 88 P 0.00 5.08 0.00 2.15 2.05 0.00 3.86 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.35 0.00 89 M 8.05 4.59 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 90 E 8.59 4.34 0.00 1.83 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 91 V 7.97 4.21 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 0.70 0.00 0.00 0.92 0.00 0.00 92 S 8.24 4.57 0.00 3.81 3.56 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 93 P 0.00 4.17 0.00 2.28 2.28 0.00 3.71 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 2.05 2.04 0.00 94 R 7.92 3.99 0.00 1.81 2.00 0.00 3.28 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 95 R 7.78 3.94 0.00 1.96 1.87 0.00 3.05 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 1.66 1.62 0.00 96 Q 8.32 4.03 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.97 0.00 0.00 0.00 0.00 0.00 2.48 2.30 0.00 97 Q 7.79 4.02 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 98 S 7.65 4.14 0.00 3.81 3.91 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 99 L 7.69 3.88 0.00 1.44 1.29 0.67 0.90 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 0.00 100 A 7.72 3.92 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 0.00 101 L 7.65 3.40 0.00 1.62 1.03 1.10 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.72 4.14 0.00 1.92 2.06 0.00 3.26 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.83 0.00 103 W 8.48 4.62 0.00 3.59 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 0.00 104 L 7.60 4.06 0.00 1.58 1.65 0.96 0.81 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 0.00 105 V 7.70 3.79 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 0.93 0.00 0.00 1.06 0.00 0.00 106 Q 8.12 4.01 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 107 A 7.71 3.89 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 0.00 108 A 7.71 4.03 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 0.00 109 N 7.55 4.30 0.00 2.93 2.92 0.00 0.00 6.98 7.49 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 0.00 110 Q 7.33 4.43 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 111 R 7.98 4.11 0.00 1.97 1.87 0.00 3.33 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.00 0.00 112 P 0.00 4.01 0.00 2.19 2.20 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 113 E 7.43 4.25 0.00 1.87 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 2.39 2.36 0.00 114 R 8.04 4.68 0.00 1.75 1.85 0.00 3.29 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 115 R 7.85 4.85 0.00 1.76 1.83 0.00 3.35 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.42 0.00 116 A 6.28 3.55 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 0.00 117 A 7.70 3.78 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 0.00 118 V 8.06 3.65 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 0.86 0.00 0.00 0.97 0.00 0.00 119 R 7.87 3.79 0.00 2.16 2.18 0.00 2.93 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 120 I 7.98 3.70 2.08 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 1.59 0.65 0.93 0.00 0.00 121 A 9.13 3.94 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 0.00 122 H 8.39 4.27 0.00 3.18 3.33 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 7.76 4.28 0.00 2.16 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 0.00 2.35 2.35 0.00 124 L 8.32 4.09 0.00 1.81 1.71 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 125 M 7.70 4.17 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.62 0.00 126 D 8.17 4.17 0.00 2.90 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 0.00 127 A 7.67 4.48 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 0.00 128 A 8.31 4.53 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 0.00 129 E 8.16 4.62 0.00 1.82 1.88 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 2.13 2.15 0.00 130 G 8.42 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 0.00 0.00 0.00 131 K 8.10 4.46 0.00 1.78 1.87 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.46 7.81 132 G 7.54 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 0.00 0.00 0.00 0.00 133 G 8.22 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 0.00 0.00 0.00 134 A 7.83 2.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 8.29 3.61 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 0.91 0.00 0.00 136 K 7.52 4.07 0.00 1.83 1.76 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.57 7.81 137 K 8.09 3.61 0.00 0.79 0.74 0.00 1.28 0.00 0.00 1.05 0.00 0.00 2.75 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.30 0.83 7.81 138 K 7.35 4.37 0.00 2.05 2.03 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.57 1.86 7.81 139 E 8.69 3.99 0.00 1.99 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 2.33 2.31 0.00 140 D 7.86 4.36 0.00 2.98 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 0.00 141 V 8.47 3.66 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 0.94 0.00 0.00 1.23 0.00 0.00 142 E 7.96 3.93 0.00 2.05 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 2.35 2.35 0.00 143 R 8.61 4.04 0.00 1.93 2.15 0.00 3.37 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 144 M 8.05 3.85 0.00 2.03 2.32 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.99 0.00 145 A 7.40 5.49 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 0.00 146 E 8.35 3.89 0.00 2.03 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 2.33 2.31 0.00 147 A 7.70 4.68 1.22 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 0.00 0.00 0.00 148 N 8.43 5.00 0.00 2.88 3.15 0.00 0.00 7.03 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 0.00 149 R 8.17 3.78 0.00 1.86 2.00 0.00 3.15 0.00 0.00 3.35 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 150 A 9.10 3.82 0.68 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 0.00 151 Y 7.35 4.63 0.00 3.02 3.08 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 0.00 0.00 0.00 0.00 152 A 7.87 4.35 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 0.00 153 H 7.96 4.44 0.00 3.36 3.59 0.00 5.74 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 7.75 4.88 0.00 3.05 3.08 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 0.00 0.00 0.00 0.00 155 R 8.29 4.06 0.00 1.92 2.25 0.00 3.53 0.00 0.00 3.56 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 156 W 8.28 4.07 0.00 3.63 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