NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 3.9424 8.2649 123.5722 50.5293 19.4418 177.2431 3 E 3.4142 7.7470 121.4044 57.5684 28.6810 173.0103 4 E 3.7913 7.5604 122.9261 59.1008 31.3677 178.3167 5 W 4.7618 7.2567 113.3035 56.4327 29.1279 174.6926 6 Y 4.9145 7.6141 122.0557 57.3603 37.5777 175.2767 7 F 4.2899 9.0430 126.6526 56.9674 40.5276 178.5182 8 G 3.7625 5.9970 108.6537 46.0102 0.0000 175.6585 9 K 4.7509 8.4594 116.7277 54.9454 30.7729 175.7317 10 I 4.5742 7.1301 113.1127 58.7924 40.8541 177.1240 11 T 4.2450 8.1028 112.2196 61.2776 70.9551 175.2879 12 R 3.8373 8.6353 123.2898 60.0693 29.9983 179.0172 13 R 3.9147 7.9447 116.8812 59.4426 30.0749 178.5697 14 E 4.0091 7.9230 118.1905 59.0706 29.5207 178.9357 15 S 4.0593 8.2059 114.5514 61.4974 62.9847 176.3993 16 E 3.9215 8.3443 122.3048 58.9755 28.9531 179.1316 17 R 3.8810 7.7446 117.8874 59.5792 30.1843 178.2199 18 L 4.2109 8.0269 117.6541 57.1164 41.5055 178.6646 19 L 4.3145 8.0771 118.7796 56.4072 41.6132 178.2640 20 L 4.3382 7.8762 116.5757 54.8901 41.4979 176.2825 21 N 4.3591 7.8538 119.2798 53.0611 38.8111 173.7983 22 P 4.4844 0.0000 0.0000 64.1335 31.4849 176.3963 23 E 4.4214 8.1562 116.5040 56.2019 30.2147 175.7639 24 N 4.5259 8.0148 118.7653 52.2677 38.8221 173.5069 25 P 4.3830 0.0000 0.0000 62.1439 32.1857 175.6947 26 R 3.9483 8.1738 120.8776 57.9146 30.5866 176.8768 27 G 4.0513 9.1718 113.4506 45.0980 0.0000 173.3063 28 T 4.6087 7.5117 116.5615 63.8504 69.7943 173.3545 29 F 6.0665 8.8690 118.9799 55.5553 42.2096 172.7645 30 L 4.9766 8.3397 117.5625 54.6853 43.8392 174.1098 31 V 5.1010 9.1733 120.7349 61.3906 34.1957 174.7527 32 R 4.9030 8.7029 123.3805 54.5195 33.3335 174.0149 33 E 4.7490 8.6717 118.1895 55.8578 30.8268 176.6041 34 S 4.3924 8.3519 117.4692 57.7333 62.4161 174.3002 35 E 4.1226 9.0048 127.2327 59.4762 29.5845 178.2100 36 T 4.1370 7.7759 113.8883 64.8996 69.2273 174.6101 37 T 4.4281 7.7794 117.1584 61.3630 70.5593 173.0665 38 K 4.2243 8.4785 127.0366 56.6347 32.6700 177.2289 39 G 3.9556 8.8370 111.5798 44.9995 0.0000 173.1092 40 A 4.7520 7.7034 121.8532 50.7898 21.7440 176.3744 41 Y 5.0023 8.5920 118.5096 56.9418 41.4929 173.9677 42 C 5.2518 9.0624 118.6188 58.2481 35.7987 172.8283 43 L 4.8545 9.1310 127.3889 53.6688 44.0144 175.1939 44 S 5.0401 8.8449 123.9711 57.1109 64.6807 173.4074 45 V 4.9910 8.5906 125.9285 61.0300 33.8183 174.6983 46 S 5.0338 8.9266 122.7664 57.6782 64.9543 172.5596 47 D 5.2296 9.1893 121.6837 52.6268 45.4154 174.3527 48 F 4.9722 8.5447 122.6833 56.6529 41.2478 172.3172 49 D 4.5358 8.0580 125.9739 52.5202 42.5255 175.4965 50 N 4.1132 8.4754 123.8562 54.4519 39.8047 173.9048 51 A 4.1634 8.6902 128.3961 52.3501 18.1126 179.2688 52 K 4.1817 7.2028 112.3453 55.5877 33.8095 177.9665 53 G 3.5913 7.4613 106.4320 44.0554 0.0000 172.4599 54 L 4.5351 8.5793 118.7576 55.9024 42.3139 176.4760 55 N 4.9774 9.1483 119.4373 52.0135 41.5658 173.0001 56 V 4.7733 8.0784 117.7652 61.1508 34.3349 174.5092 57 K 4.4640 8.9716 127.4429 55.2589 34.2387 175.0612 58 H 5.2809 8.3823 120.3269 54.1658 31.5008 172.9596 59 Y 4.6918 8.9614 120.0675 55.9645 41.2478 174.5165 60 K 4.6519 8.7669 125.2376 55.7533 33.7232 176.0447 61 I 4.4377 8.7235 129.2949 60.2771 38.0029 175.3170 62 R 4.5380 8.2056 126.8550 55.4496 31.5026 175.8351 63 K 4.9468 8.6146 122.5190 54.8164 34.8188 175.0939 64 L 4.8672 8.5403 125.1351 53.0157 44.1149 177.6316 65 D 4.3475 8.7500 120.6805 56.9449 40.9698 177.9501 66 S 4.1992 7.9067 112.2537 59.1999 63.2744 174.0968 67 G 3.7428 8.6395 109.7022 46.2706 0.0000 173.4538 68 G 4.3232 7.6763 103.9850 44.1137 0.0000 172.4130 69 F 5.8255 9.5414 120.2860 56.0923 42.4797 174.2715 70 Y 5.2694 8.8254 117.7776 56.8049 40.9101 175.2277 71 I 4.2215 8.8787 120.8965 62.4323 38.7778 176.6737 72 T 4.5312 8.3203 112.2008 61.6907 69.3087 173.2004 73 S 4.3415 8.6975 115.0353 58.9802 60.5860 171.0030 74 R 3.9173 7.9262 117.4719 58.9834 30.0072 176.7498 75 T 4.1794 7.6809 114.0684 61.7671 69.5409 174.0078 76 Q 4.5648 7.7850 124.6249 53.7931 32.4227 174.9259 77 F 4.8760 8.7496 118.5380 55.8795 42.5244 176.0256 78 S 4.6438 8.8061 117.4426 59.0486 63.7808 174.7152 79 S 4.7383 7.7593 115.0916 56.4057 66.2390 174.5645 80 L 3.7407 8.2249 128.8351 57.5350 41.4827 179.5556 81 Q 4.2799 8.1875 117.1680 58.9189 28.5118 178.3586 82 Q 3.8887 7.8553 121.6069 58.8721 29.2655 177.1842 83 L 2.4400 7.2900 120.9203 57.7025 41.8076 179.0698 84 V 3.0313 7.2398 117.4337 65.8666 31.1527 177.4905 85 A 3.8890 7.4510 119.0105 55.5067 18.4198 178.8013 86 Y 3.8317 7.8659 117.6261 61.0004 39.0425 177.4926 87 Y 4.4498 7.6567 116.2313 59.8566 37.6268 178.1172 88 S 4.5835 7.2379 117.5044 59.7135 63.3366 175.7319 89 K 4.1511 7.5341 121.7898 57.6006 32.1772 176.9134 90 H 4.5652 7.0014 113.2816 54.0479 31.1563 172.6765 91 A 3.9432 9.3156 128.0526 55.0625 18.6470 177.3662 92 D 4.3454 8.7275 112.9936 55.4027 39.5187 173.0945 93 G 4.1380 8.3572 110.7951 46.2276 0.0000 174.0909 94 L 3.9029 8.2334 121.9250 54.5971 42.5581 177.5743 95 C 4.3439 8.6805 117.8792 61.2003 29.8253 173.5490 96 H 4.5242 7.2510 116.7372 54.7675 32.7596 173.5798 97 R 4.1861 8.2690 122.0513 56.0151 29.6889 175.8837 98 L 4.5800 8.6691 120.3038 54.9204 42.3755 177.5153 99 T 4.7284 8.6613 112.1423 61.2292 70.4926 173.5175 100 N 4.5431 8.1635 118.3907 52.9164 42.5375 172.9683 101 V 3.4033 8.3553 126.7547 61.5758 32.4728 175.0289 102 C 4.1023 8.1528 129.1972 58.9633 31.8647 171.7872 103 P 4.3356 0.0000 0.0000 62.2490 31.3666 176.3018 104 T 3.6167 8.5895 117.4764 64.0154 69.0438 172.0499 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 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 3 E 7.75 3.41 0.00 2.11 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 2.20 2.34 0.00 4 E 7.56 3.79 0.00 1.99 2.10 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 2.33 2.36 0.00 5 W 7.26 4.76 0.00 3.62 3.28 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 6 Y 7.61 4.91 0.00 2.80 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 7 F 9.04 4.29 0.00 2.80 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 8 G 6.00 3.76 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 0.00 0.00 0.00 9 K 8.46 4.75 0.00 1.79 1.82 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.65 1.50 7.81 10 I 7.13 4.57 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.68 1.05 0.00 0.00 11 T 8.10 4.24 4.32 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 1.25 0.00 0.00 12 R 8.64 3.84 0.00 1.82 2.01 0.00 3.01 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.45 0.00 13 R 7.94 3.91 0.00 1.89 1.97 0.00 3.18 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 14 E 7.92 4.01 0.00 2.14 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 0.00 2.35 2.42 0.00 15 S 8.21 4.06 0.00 4.04 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 16 E 8.34 3.92 0.00 2.19 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 2.37 2.57 0.00 17 R 7.74 3.88 0.00 1.95 2.16 0.00 3.26 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 18 L 8.03 4.21 0.00 1.81 1.71 1.10 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.08 4.31 0.00 1.83 1.67 0.79 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.88 4.34 0.00 1.77 1.70 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.85 4.36 0.00 2.75 2.71 0.00 0.00 6.97 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 22 P 0.00 4.48 0.00 2.21 2.16 0.00 3.80 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 23 E 8.16 4.42 0.00 2.10 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 0.00 2.52 2.25 0.00 24 N 8.01 4.53 0.00 2.89 2.79 0.00 0.00 7.08 7.57 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 25 P 0.00 4.38 0.00 2.18 1.96 0.00 3.59 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.07 0.00 26 R 8.17 3.95 0.00 1.75 1.74 0.00 3.31 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.62 0.00 27 G 9.17 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 28 T 7.51 4.61 4.23 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 1.19 0.00 0.00 29 F 8.87 6.07 0.00 2.95 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.34 4.98 0.00 1.03 1.07 0.69 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 31 V 9.17 5.10 2.67 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 1.27 0.00 0.00 0.92 0.00 0.00 32 R 8.70 4.90 0.00 2.04 2.02 0.00 3.04 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 33 E 8.67 4.75 0.00 1.95 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 2.51 2.64 0.00 34 S 8.35 4.39 0.00 3.92 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 9.00 4.12 0.00 1.98 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 2.31 2.32 0.00 36 T 7.78 4.14 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 1.20 0.00 0.00 37 T 7.78 4.43 4.23 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 1.20 0.00 0.00 38 K 8.48 4.22 0.00 1.73 1.73 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.41 1.41 7.81 39 G 8.84 3.96 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 0.00 0.00 0.00 40 A 7.70 4.75 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 41 Y 8.59 5.00 0.00 3.11 3.24 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 42 C 9.06 5.25 0.00 3.03 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 43 L 9.13 4.85 0.00 1.73 1.54 0.81 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.84 5.04 0.00 3.77 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.59 4.99 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1.02 0.00 0.00 46 S 8.93 5.03 0.00 3.94 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 47 D 9.19 5.23 0.00 2.77 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.54 4.97 0.00 2.97 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 49 D 8.06 4.54 0.00 2.73 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.48 4.11 0.00 2.82 2.70 0.00 0.00 7.25 8.10 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 51 A 8.69 4.16 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 52 K 7.20 4.18 0.00 1.73 1.74 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.34 7.81 53 G 7.46 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.58 4.54 0.00 1.60 1.70 1.15 0.98 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 55 N 9.15 4.98 0.00 2.70 2.85 0.00 0.00 6.06 8.49 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 56 V 8.08 4.77 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 0.66 0.00 0.00 0.90 0.00 0.00 57 K 8.97 4.46 0.00 1.61 1.32 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.56 7.81 58 H 8.38 5.28 0.00 2.89 3.13 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 8.96 4.69 0.00 2.82 2.74 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 60 K 8.77 4.65 0.00 1.78 1.71 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.60 7.81 61 I 8.72 4.44 2.09 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 1.27 0.53 1.12 0.00 0.00 62 R 8.21 4.54 0.00 0.99 1.74 0.00 3.23 0.00 0.00 3.07 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 63 K 8.61 4.95 0.00 1.71 1.60 0.00 1.29 0.00 0.00 1.57 0.00 0.00 2.31 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.98 0.44 7.81 64 L 8.54 4.87 0.00 1.54 1.58 1.03 0.82 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 65 D 8.75 4.35 0.00 2.65 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 66 S 7.91 4.20 0.00 3.94 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 67 G 8.64 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.68 4.32 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 0.00 69 F 9.54 5.83 0.00 3.12 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 70 Y 8.83 5.27 0.00 3.20 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 71 I 8.88 4.22 1.93 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.69 0.94 0.00 0.00 72 T 8.32 4.53 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 73 S 8.70 4.34 0.00 3.91 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.93 3.92 0.00 1.79 1.96 0.00 3.21 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 75 T 7.68 4.18 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 76 Q 7.78 4.56 0.00 1.76 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.48 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 77 F 8.75 4.88 0.00 3.12 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 78 S 8.81 4.64 0.00 4.04 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 79 S 7.76 4.74 0.00 3.97 3.78 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 80 L 8.22 3.74 0.00 1.66 1.49 0.33 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.19 4.28 0.00 2.46 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.97 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 82 Q 7.86 3.89 0.00 2.21 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.06 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 83 L 7.29 2.44 0.00 1.39 1.47 1.01 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.24 3.03 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 0.36 0.00 0.00 -0.21 0.00 0.00 85 A 7.45 3.89 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 86 Y 7.87 3.83 0.00 2.94 2.45 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 87 Y 7.66 4.45 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 88 S 7.24 4.58 0.00 3.85 3.85 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 89 K 7.53 4.15 0.00 1.58 1.37 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.16 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.37 7.81 90 H 7.00 4.57 0.00 3.10 3.11 0.00 5.62 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 91 A 9.32 3.94 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 92 D 8.73 4.35 0.00 2.77 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.36 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 94 L 8.23 3.90 0.00 1.82 1.41 -0.47 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 95 C 8.68 4.34 0.00 3.37 3.20 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 96 H 7.25 4.52 0.00 3.13 3.16 0.00 5.95 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.27 4.19 0.00 2.01 1.86 0.00 3.13 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 98 L 8.67 4.58 0.00 1.18 0.87 -0.24 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.66 4.73 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 1.31 0.00 0.00 100 N 8.16 4.54 0.00 2.86 2.65 0.00 0.00 6.78 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 0.00 101 V 8.36 3.40 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 0.87 0.00 0.00 1.06 0.00 0.00 102 C 8.15 4.10 0.00 2.94 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.34 0.00 2.24 2.07 0.00 3.97 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 2.01 2.10 0.00 104 T 8.59 3.62 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 1.07 0.00 0.00