NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4638 8.2893 120.3506 55.6679 33.4006 174.1116 2 E 4.7773 8.1736 120.0824 54.5389 33.0340 172.4876 3 A 4.6762 8.7240 122.3875 50.0384 22.7797 176.8239 4 K 4.6769 8.8077 120.2998 55.2130 35.4283 174.3885 5 A 4.2958 8.4186 121.4247 48.7446 22.4645 173.2861 6 I 3.1948 8.2164 128.6384 60.2290 35.5895 173.6220 7 A 4.4578 9.0280 130.6041 50.4286 18.7709 176.0210 8 R 4.2101 8.3607 121.5848 57.6366 30.9664 176.5746 9 Y 3.5442 8.0779 118.8696 59.2734 35.1626 171.1984 10 V 3.2677 7.6133 120.4860 66.5403 32.0265 176.6546 11 R 4.0678 8.9716 115.2692 55.6729 27.9720 175.2524 12 I 4.4022 6.6582 115.5856 59.5701 41.5929 173.5478 13 S 4.1448 8.7396 121.8954 57.9132 62.7005 172.2630 14 P 4.1129 0.0000 0.0000 65.6660 30.8786 178.1824 15 R 3.8546 7.8704 116.6878 59.6713 30.2485 178.3072 16 K 4.1304 8.2231 118.0945 59.5048 32.1784 179.4935 17 V 3.7177 7.8307 117.9408 66.0479 31.4827 177.6888 18 R 3.9271 8.0150 117.8913 59.5593 29.7437 178.3654 19 L 3.9632 7.2464 115.5221 58.3950 41.9958 180.0186 20 V 3.8006 7.7685 111.3411 64.2474 31.5107 178.5564 21 V 3.6014 7.8921 118.1116 66.2678 31.1009 177.8312 22 D 4.3829 8.6770 118.7430 57.0588 40.3839 178.2598 23 L 4.0910 7.9351 119.9710 56.6342 42.4181 177.0054 24 I 4.4597 7.8271 110.1263 60.0729 39.0334 175.4153 25 R 4.0526 7.2817 122.2809 58.0718 30.1150 177.0321 26 G 4.1116 8.5398 111.8333 45.8974 0.0000 174.0029 27 K 4.3816 7.7907 119.7644 55.3515 33.1693 176.5959 28 S 4.7572 8.2320 114.5847 58.1156 64.9201 175.1523 29 L 3.9275 8.5300 124.0670 58.0089 41.6227 179.0230 30 E 3.8965 8.0984 118.9959 59.2525 29.6989 178.1576 31 E 3.9392 8.2512 118.3598 59.6963 29.5658 178.7946 32 A 4.2397 8.2048 120.5032 55.6635 18.3609 179.5236 33 R 3.8580 8.3410 115.5604 59.6134 30.3535 179.0519 34 N 4.3806 8.3976 115.8289 56.8679 38.4099 176.8905 35 I 3.6677 8.4025 120.4382 65.0075 37.5083 177.6431 36 L 4.0902 8.3654 118.9799 58.0585 41.4397 179.4980 37 R 3.7044 7.6278 117.2786 59.3093 30.0916 178.5896 38 Y 4.8141 7.6594 113.9547 57.0177 39.5971 175.6442 39 T 4.5171 7.3174 117.1706 62.0976 70.1530 175.9324 40 N 4.7246 8.5362 127.3316 51.5679 37.5421 173.4545 41 K 4.6246 7.5069 119.2210 54.4421 36.6518 177.0446 42 R 3.8229 9.0245 123.8118 59.6202 30.5534 178.4944 43 G 4.0453 8.6795 103.9618 48.2782 0.0000 174.9390 44 A 3.9908 7.6568 123.5745 55.1179 18.2952 178.6377 45 Y 3.9325 7.5720 116.9090 61.2570 38.7636 178.6459 46 F 4.4162 8.0095 117.7105 60.7033 39.0900 177.7458 47 V 3.6132 8.2096 117.6736 65.7595 31.2951 177.7452 48 A 3.8682 8.3472 120.9641 55.1222 18.2526 179.1507 49 K 3.6076 7.9497 118.2394 59.9289 32.1277 179.2212 50 V 3.6831 7.7717 118.8996 64.4133 31.4798 178.1323 51 L 3.8727 8.2394 121.6798 57.7743 41.9122 178.5767 52 E 3.8378 8.5538 119.7196 59.2779 29.6692 178.4047 53 S 4.0369 7.9201 112.9887 61.6580 62.3710 175.9751 54 A 3.9581 8.1436 122.9188 55.0850 18.0153 179.5244 55 A 3.8429 7.7921 118.3610 55.3787 18.4461 179.1591 56 A 3.8947 7.9340 119.0533 55.7290 18.2596 179.1687 57 N 4.4245 8.2606 113.7230 57.2191 38.7610 176.6956 58 A 4.1686 8.1834 121.0860 56.2187 18.1152 179.7769 59 V 3.5689 8.3442 115.0110 65.5897 31.5809 178.0645 60 N 4.5201 8.9741 117.1450 55.2268 39.0713 175.6623 61 N 4.9675 9.0373 115.9045 53.0062 40.3882 174.7229 62 H 4.6809 8.0206 115.9687 55.6063 30.3956 174.6133 63 D 4.4519 7.4185 112.3708 54.6788 36.9709 172.9867 64 M 4.5362 8.1112 127.9202 54.6813 34.5895 172.9925 65 L 3.6829 7.9954 122.6296 54.1292 38.8573 174.1035 66 E 3.9130 8.8928 124.9358 59.4362 29.4723 179.1124 67 D 4.4807 8.1999 115.9481 56.8697 41.1352 177.2717 68 R 4.6859 8.2489 117.1436 55.7902 31.7961 175.5960 69 L 5.1086 8.1623 120.5703 54.6589 43.3667 175.4471 70 Y 5.1150 8.3325 118.6641 55.7428 42.2454 174.4839 71 V 3.8839 9.1357 121.6580 62.4877 31.0600 176.4491 72 K 3.7789 8.0038 129.1955 58.9196 32.5880 176.3806 73 A 4.7935 8.3013 119.5595 51.1088 22.9459 174.8453 74 A 4.8258 7.9279 119.6853 51.1019 22.3973 175.3858 75 Y 4.7896 7.9419 115.9106 56.3173 41.7112 173.0677 76 V 5.0191 8.7600 120.7884 60.2140 33.8904 174.4113 77 D 5.0698 8.6135 123.7169 52.2041 43.9102 175.2673 78 E 4.3229 8.7748 122.7614 56.2294 30.5126 175.9556 79 G 4.0779 8.4857 113.8300 42.9688 0.0000 171.0571 80 P 4.3478 0.0000 0.0000 63.0340 31.4909 175.5992 81 A 4.4937 8.3568 124.0054 50.9567 20.3306 176.5622 82 L 4.2826 8.5404 122.5455 54.1469 42.7547 176.4552 83 K 4.8322 8.6153 124.0602 55.9820 33.2361 176.6861 84 R 4.7395 9.0053 122.2490 54.4698 34.9448 174.1407 85 V 4.4918 8.3469 121.4223 61.7779 32.9957 174.7235 86 L 4.8027 9.2590 130.7628 52.5561 44.4238 173.2270 87 P 4.8623 0.0000 0.0000 62.5665 32.4699 175.8831 88 R 4.7100 8.4277 122.1644 53.8361 33.0833 175.5061 89 A 4.0795 8.4588 122.2695 53.5901 18.7628 177.0304 90 R 3.7945 9.3960 116.4828 57.3247 27.7325 177.1093 91 G 4.1357 8.2883 109.6248 46.9696 0.0000 179.3492 92 R 2.6698 6.9767 113.4567 53.5954 31.9277 173.5049 93 A 3.6623 7.7163 135.0000 52.4755 15.8230 176.2964 94 D 5.0623 9.2779 122.4907 53.4393 44.3756 175.3735 95 I 4.9195 8.0551 112.5331 59.4555 39.5191 175.5296 96 I 4.2629 9.0944 128.1094 60.3799 39.2647 175.3456 97 K 4.7570 8.3793 123.1629 54.4757 34.3893 176.1555 98 K 4.2149 8.7498 126.2466 55.9340 32.6777 177.6769 99 R 4.5426 8.4510 124.5671 55.8904 31.7028 175.7414 100 T 4.6891 8.0695 110.4512 60.7634 70.8902 172.7042 101 S 5.0637 8.5784 121.6760 57.2373 67.3241 172.8326 102 H 5.7277 8.5700 117.5822 52.8191 29.8578 171.1280 103 I 4.1355 7.9713 121.7663 61.3198 38.4922 174.5466 104 T 4.7016 8.6993 124.4819 61.5027 71.3507 173.5925 105 V 4.6207 8.1361 125.3664 60.8281 35.0964 173.7974 106 I 4.8383 9.0241 121.6562 59.1419 40.0256 174.8233 107 L 4.6181 9.0747 127.6235 53.7165 43.9094 175.8522 108 G 4.4078 8.1167 107.5478 44.8353 0.0000 170.8791 109 E 5.2402 8.6892 119.2304 54.5108 30.3468 176.7822 110 K 3.6770 9.7331 127.2525 57.2465 33.0362 177.5906 111 H 3.8441 8.1100 116.1186 57.7029 31.9018 173.2112 112 G 3.9895 8.6023 120.7147 47.5776 0.0000 173.4513 113 K 4.1650 9.0007 124.1731 54.5922 31.6687 179.3018 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 4.46 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.62 0.00 2 E 8.17 4.78 0.00 2.09 1.77 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 2.14 2.32 0.00 3 A 8.72 4.68 1.18 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 0.00 0.00 4 K 8.81 4.68 0.00 1.65 1.76 0.00 1.13 0.00 0.00 1.91 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.26 1.20 7.81 5 A 8.42 4.30 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.22 3.19 1.84 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 1.30 0.39 0.85 0.00 0.00 7 A 9.03 4.46 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 8 R 8.36 4.21 0.00 1.91 1.79 0.00 2.91 0.00 0.00 2.56 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 9 Y 8.08 3.54 0.00 3.18 3.12 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 10 V 7.61 3.27 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 -0.21 0.00 0.00 0.89 0.00 0.00 11 R 8.97 4.07 0.00 1.97 2.21 0.00 3.51 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 12 I 6.66 4.40 1.91 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.78 0.75 0.00 0.00 13 S 8.74 4.14 0.00 3.90 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 14 P 0.00 4.11 0.00 2.18 2.06 0.00 3.95 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.08 0.00 15 R 7.87 3.85 0.00 1.80 1.99 0.00 3.24 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 16 K 8.22 4.13 0.00 2.05 1.87 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.46 7.81 17 V 7.83 3.72 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 1.13 0.00 0.00 0.99 0.00 0.00 18 R 8.02 3.93 0.00 1.92 2.03 0.00 3.23 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.93 0.00 19 L 7.25 3.96 0.00 1.90 1.79 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.77 3.80 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 0.84 0.00 0.00 0.97 0.00 0.00 21 V 7.89 3.60 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.95 0.00 0.00 22 D 8.68 4.38 0.00 2.88 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.94 4.09 0.00 1.76 1.74 0.94 0.89 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 24 I 7.83 4.46 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.69 0.92 0.00 0.00 25 R 7.28 4.05 0.00 1.81 1.92 0.00 3.37 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 26 G 8.54 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 27 K 7.79 4.38 0.00 1.89 1.93 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.60 7.81 28 S 8.23 4.76 0.00 4.16 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 29 L 8.53 3.93 0.00 1.81 1.83 0.91 0.99 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 30 E 8.10 3.90 0.00 2.10 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 2.40 2.41 0.00 31 E 8.25 3.94 0.00 2.25 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 2.36 2.37 0.00 32 A 8.20 4.24 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 33 R 8.34 3.86 0.00 2.03 2.01 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 34 N 8.40 4.38 0.00 3.06 2.94 0.00 0.00 7.05 7.52 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 35 I 8.40 3.67 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.76 0.94 0.00 0.00 36 L 8.37 4.09 0.00 1.66 1.71 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.63 3.70 0.00 1.85 2.09 0.00 2.98 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.63 0.00 38 Y 7.66 4.81 0.00 3.04 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 39 T 7.32 4.52 4.41 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 1.24 0.00 0.00 40 N 8.54 4.72 0.00 2.71 2.77 0.00 0.00 7.02 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 41 K 7.51 4.62 0.00 1.80 1.65 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.39 7.81 42 R 9.02 3.82 0.00 1.84 1.98 0.00 3.22 0.00 0.00 3.42 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.56 0.00 43 G 8.68 4.05 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 0.00 0.00 0.00 44 A 7.66 3.99 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 45 Y 7.57 3.93 0.00 2.89 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 46 F 8.01 4.42 0.00 3.36 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 47 V 8.21 3.61 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 1.02 0.00 0.00 0.98 0.00 0.00 48 A 8.35 3.87 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 49 K 7.95 3.61 0.00 1.50 1.89 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.40 1.35 7.81 50 V 7.77 3.68 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 0.84 0.00 0.00 0.93 0.00 0.00 51 L 8.24 3.87 0.00 1.92 1.75 0.90 0.69 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 52 E 8.55 3.84 0.00 2.16 1.87 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 2.25 2.32 0.00 53 S 7.92 4.04 0.00 3.92 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 A 8.14 3.96 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 55 A 7.79 3.84 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 56 A 7.93 3.89 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 57 N 8.26 4.42 0.00 2.99 2.96 0.00 0.00 7.00 6.83 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 58 A 8.18 4.17 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 59 V 8.34 3.57 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 0.98 0.00 0.00 0.98 0.00 0.00 60 N 8.97 4.52 0.00 2.71 2.85 0.00 0.00 7.04 7.67 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 61 N 9.04 4.97 0.00 2.60 2.60 0.00 0.00 6.80 8.04 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 62 H 8.02 4.68 0.00 3.16 3.24 0.00 5.89 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.42 4.45 0.00 2.86 3.01 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 64 M 8.11 4.54 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.69 0.00 65 L 8.00 3.68 0.00 1.93 1.87 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.89 3.91 0.00 2.00 1.98 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 2.40 2.38 0.00 67 D 8.20 4.48 0.00 2.72 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 68 R 8.25 4.69 0.00 1.73 1.86 0.00 3.09 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 69 L 8.16 5.11 0.00 1.77 1.58 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.33 5.12 0.00 3.24 2.97 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 71 V 9.14 3.88 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.88 0.00 0.00 72 K 8.00 3.78 0.00 1.43 1.76 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.46 7.81 73 A 8.30 4.79 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 74 A 7.93 4.83 1.11 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 75 Y 7.94 4.79 0.00 2.88 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 76 V 8.76 5.02 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 0.81 0.00 0.00 0.94 0.00 0.00 77 D 8.61 5.07 0.00 2.69 2.58 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 78 E 8.77 4.32 0.00 1.93 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 0.00 2.26 2.33 0.00 79 G 8.49 4.08 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 0.00 0.00 0.00 80 P 0.00 4.35 0.00 2.25 2.16 0.00 3.87 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 2.19 2.23 0.00 81 A 8.36 4.49 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 82 L 8.54 4.28 0.00 1.69 1.62 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.62 4.83 0.00 1.64 1.73 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.47 7.81 84 R 9.01 4.74 0.00 1.65 1.75 0.00 3.27 0.00 0.00 3.09 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 85 V 8.35 4.49 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 0.75 0.00 0.00 0.93 0.00 0.00 86 L 9.26 4.80 0.00 1.73 1.48 0.92 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.86 0.00 2.11 2.04 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 88 R 8.43 4.71 0.00 1.69 1.91 0.00 3.38 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 89 A 8.46 4.08 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 90 R 9.40 3.79 0.00 1.98 2.04 0.00 3.23 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 91 G 8.29 4.14 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 0.00 92 R 6.98 2.67 0.00 1.95 2.10 0.00 3.35 0.00 0.00 3.23 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.86 0.00 93 A 7.72 3.66 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 94 D 9.28 5.06 0.00 2.56 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 95 I 8.06 4.92 1.87 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 1.34 0.67 0.91 0.00 0.00 96 I 9.09 4.26 1.87 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 1.23 0.72 0.91 0.00 0.00 97 K 8.38 4.76 0.00 1.59 1.73 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.43 7.81 98 K 8.75 4.21 0.00 1.71 1.77 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.57 7.81 99 R 8.45 4.54 0.00 1.69 1.96 0.00 3.15 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.62 0.00 100 T 8.07 4.69 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 101 S 8.58 5.06 0.00 3.69 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 H 8.57 5.73 0.00 3.12 3.06 0.00 5.64 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 7.97 4.14 1.86 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 1.35 0.87 0.90 0.00 0.00 104 T 8.70 4.70 3.81 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 0.72 0.00 0.00 105 V 8.14 4.62 1.98 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 0.93 0.00 0.00 0.84 0.00 0.00 106 I 9.02 4.84 1.77 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.65 0.75 0.00 0.00 107 L 9.07 4.62 0.00 1.50 1.48 0.80 0.55 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 0.00 108 G 8.12 4.41 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 0.00 109 E 8.69 5.24 0.00 1.91 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 2.27 2.31 0.00 110 K 9.73 3.68 0.00 1.60 1.70 0.00 0.74 0.00 0.00 0.61 0.00 0.00 2.80 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.28 1.31 7.81 111 H 8.11 3.84 0.00 3.36 3.48 0.00 5.68 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 0.00 112 G 8.60 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 0.00 113 K 9.00 4.16 0.00 1.79 1.60 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.01 7.81