NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0234 8.3549 109.7357 46.0779 0.0000 172.8948 2 S 4.0770 7.8688 126.9975 57.7725 66.7275 175.4626 3 H 4.0903 8.0787 120.5034 55.0950 30.9459 171.2737 4 P 4.6155 0.0000 0.0000 62.8270 31.9206 176.8101 5 W 4.6453 6.7515 113.0126 57.6058 33.4449 175.2526 6 F 4.9165 6.0506 119.2774 58.0562 38.8398 172.5033 7 F 4.5039 8.1573 120.7579 57.3150 43.1428 175.0420 8 G 3.5159 6.7075 111.2131 44.1141 0.0000 174.1714 9 K 4.7668 8.5101 117.9631 54.4265 32.7569 174.5006 10 I 4.4715 7.1701 113.3125 57.6170 41.2572 174.1273 11 P 4.4747 0.0000 0.0000 61.8704 32.2549 177.2153 12 R 3.8567 8.8191 118.7807 59.7388 28.9064 178.7167 13 A 3.9305 7.9188 120.5928 54.8108 18.4284 179.1889 14 K 3.7317 8.0179 117.8305 59.7234 31.8095 178.8183 15 A 4.1871 7.7933 120.0418 54.5838 18.2274 178.5914 16 E 4.1559 8.1693 115.7647 57.7780 29.9910 178.1755 17 E 4.3049 7.8935 119.1538 59.0432 30.0642 178.3757 18 M 4.2155 7.9257 116.5834 57.7647 31.8644 178.1727 19 L 4.2934 7.6773 118.5120 56.6605 41.7967 178.8787 20 S 4.1532 7.8804 113.3708 60.3274 62.4709 174.7741 21 K 4.2299 7.8584 116.9873 57.0720 33.0832 176.3056 22 Q 4.2028 7.2290 118.8809 56.3741 29.0280 176.3806 23 R 4.4584 8.1893 111.5734 56.6328 31.6268 175.2373 24 H 4.7798 7.7684 116.4123 53.8066 29.8010 173.8449 25 D 4.9883 8.9433 124.5219 55.1107 38.3959 176.4141 26 G 5.6601 9.1387 127.0700 47.0174 0.0000 170.5456 27 A 4.1818 7.4169 121.8690 51.7200 19.3134 176.8115 28 F 5.6443 8.8644 115.9258 55.8492 41.6506 173.4324 29 L 4.9719 9.1043 118.2445 55.0075 44.2406 174.2416 30 I 5.5208 8.9601 120.7686 59.7607 40.3384 174.6563 31 R 4.9906 9.2393 123.0136 53.8017 32.3029 175.7399 32 E 4.8211 8.2605 123.6426 57.6736 27.6301 178.6111 33 S 3.5395 7.9717 106.8806 59.8765 60.5274 173.4363 34 E 4.0469 8.4447 125.9863 58.3036 29.6335 178.6735 35 S 4.2470 7.9657 112.1776 59.6128 63.9613 174.2724 36 A 4.4324 7.3878 124.5051 50.1044 19.6117 175.7091 37 P 4.3544 0.0000 0.0000 63.5206 32.0516 176.2231 38 G 4.1492 5.8859 120.4286 46.0017 0.0000 171.2599 39 D 4.7748 7.1014 120.4393 52.4448 43.6862 177.0299 40 F 4.9231 8.4960 122.5596 58.7015 40.6672 174.6595 41 S 5.2878 9.1968 115.3833 59.1451 68.4902 174.3904 42 L 5.0245 8.3121 119.7907 54.8987 45.8389 174.1929 43 S 5.3123 9.0997 122.5216 57.3375 65.7502 173.5059 44 V 5.4655 8.0101 120.6782 60.9373 35.2499 173.1474 45 K 4.9749 8.6367 124.6856 55.3634 33.1798 175.3301 46 F 4.9540 9.0596 127.8679 57.9274 39.0436 173.7219 47 G 4.2645 8.8168 112.1493 43.5137 0.0000 172.7558 48 N 5.2578 7.4301 128.7430 54.8483 38.3080 173.8808 49 D 4.6955 7.3645 118.3747 53.5960 43.2895 175.6154 50 V 4.5800 8.1137 119.3174 61.3835 32.6244 173.9180 51 Q 4.1309 8.1357 129.0623 54.7239 30.8041 173.8939 52 H 5.0216 7.9338 120.9546 54.0924 32.7286 172.7704 53 F 4.8656 8.6063 119.5815 55.6703 41.5424 175.1308 54 K 4.4743 8.5947 124.2765 56.2634 33.4449 175.3836 55 V 4.8625 8.2338 127.1964 61.7731 33.0325 174.6948 56 L 4.8473 8.3873 126.3116 52.7564 45.8054 174.8789 57 R 5.1080 7.8769 118.5242 53.5628 32.9392 175.3937 58 D 4.7942 9.2926 123.8398 55.1955 41.3998 176.8815 59 G 3.9841 8.1185 105.7053 45.9411 0.0000 173.8935 60 A 4.5179 8.3608 119.9496 51.4864 20.9276 175.8099 61 G 3.2724 8.0497 103.8935 44.8878 0.0000 174.0901 62 K 4.3307 7.6383 120.7449 56.2563 34.0998 175.3711 63 Y 5.2654 8.9512 118.9212 56.4240 41.9552 174.8219 64 F 5.4626 7.6865 117.5980 54.5545 42.3182 173.9844 65 L 5.6537 7.4942 112.3105 54.2948 40.2249 174.3460 66 W 5.0811 6.8307 135.0000 58.5775 29.8265 174.2606 67 V 4.2813 6.8431 118.9128 63.8207 34.0975 176.0398 68 V 3.6866 7.4648 121.4971 62.0814 32.5311 175.6317 69 K 4.8741 7.6010 123.3378 55.5923 35.4208 173.6785 70 F 4.4424 8.6409 115.0510 57.3549 42.3208 174.7455 71 N 4.9978 8.9758 120.6681 53.7449 39.1223 174.9025 72 S 4.8560 7.7538 109.2479 56.4405 66.6849 174.1949 73 L 3.7887 8.2599 127.1319 57.6146 41.5903 179.3312 74 N 3.8125 8.4334 116.6560 55.8613 37.0497 176.9289 75 E 3.8141 7.6191 120.0955 59.4243 29.6353 179.1820 76 L 3.0426 7.5598 118.7507 57.5328 41.4452 179.1791 77 V 2.9244 7.0010 118.3289 65.1246 31.1785 177.1402 78 D 4.2726 8.0586 118.1423 57.7980 40.9230 178.5828 79 Y 4.1369 7.5741 119.3997 61.2124 38.9166 177.6764 80 H 4.0120 7.7964 116.3720 56.5145 28.5771 177.4744 81 R 4.1939 7.7616 120.3191 57.9619 30.1191 177.1516 82 S 4.4381 7.6420 112.3756 58.2337 64.7783 174.0856 83 T 4.7345 7.6527 117.9706 61.0659 70.2509 175.1153 84 S 3.3004 8.0770 118.8248 57.5375 62.8544 173.5264 85 V 4.0794 7.5557 108.1193 61.9961 34.8722 175.6940 86 S 4.9144 7.4333 112.4839 56.5183 64.6632 173.8722 87 R 4.3621 8.4805 123.4730 56.5127 29.8067 176.6294 88 N 4.6960 7.5824 116.9284 54.6061 40.0950 174.0021 89 Q 4.4781 7.4788 114.2096 55.3222 32.5013 174.2473 90 Q 4.2480 8.2914 115.5563 54.7253 27.9004 174.3061 91 I 4.5666 6.7793 126.4248 60.5570 40.6513 174.1827 92 F 5.1977 8.5349 121.1857 55.5237 43.8022 173.9653 93 L 4.8126 8.2304 120.5791 55.2024 42.2508 176.9294 94 R 5.0124 8.9123 120.3199 54.9140 35.1681 172.9177 95 D 5.0384 8.8369 119.0634 53.2273 40.4728 176.0821 96 I 4.4619 8.1208 122.0605 60.0216 40.7645 175.7211 97 E 3.2846 9.9278 121.8350 58.5415 29.3227 176.2423 98 Q 3.7574 8.2983 114.9256 55.6178 27.9934 174.7865 99 V 3.1089 7.2938 110.2672 60.7838 31.3958 172.5438 100 P 4.3462 0.0000 0.0000 63.8162 28.9725 175.3066 101 Q 3.0522 7.4947 119.5599 58.8281 26.1023 176.2325 102 Q 4.1906 8.9649 120.2293 55.3305 26.7335 172.9624 103 P 4.4594 0.0000 0.0000 63.5501 29.9375 176.1795 104 T 3.8318 7.8664 114.9419 62.9332 70.1948 173.0669 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 G 8.35 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 0.00 0.00 0.00 2 S 7.87 4.08 0.00 3.83 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 3 H 8.08 4.09 0.00 2.94 2.81 0.00 5.81 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.62 0.00 2.28 2.16 0.00 3.26 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.04 0.00 5 W 6.75 4.65 0.00 1.99 2.46 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 6 F 6.05 4.92 0.00 1.51 2.34 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 7 F 8.16 4.50 0.00 3.06 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 8 G 6.71 3.52 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 0.00 0.00 0.00 9 K 8.51 4.77 0.00 1.66 1.94 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.30 1.29 7.81 10 I 7.17 4.47 1.56 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.49 0.60 0.00 0.00 11 P 0.00 4.47 0.00 2.18 2.15 0.00 3.54 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 2.02 1.86 0.00 12 R 8.82 3.86 0.00 1.85 2.09 0.00 2.89 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 13 A 7.92 3.93 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 0.00 0.00 0.00 0.00 0.00 14 K 8.02 3.73 0.00 1.73 1.80 0.00 1.30 0.00 0.00 1.51 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.99 1.15 7.81 15 A 7.79 4.19 1.48 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 0.00 0.00 16 E 8.17 4.16 0.00 2.02 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 2.37 2.53 0.00 17 E 7.89 4.30 0.00 2.22 1.95 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 2.26 2.30 0.00 18 M 7.93 4.22 0.00 2.11 2.27 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 2.72 2.87 0.00 19 L 7.68 4.29 0.00 1.91 1.70 1.04 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 20 S 7.88 4.15 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.86 4.23 0.00 1.88 1.91 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.67 7.81 22 Q 7.23 4.20 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 23 R 8.19 4.46 0.00 1.83 1.92 0.00 2.92 0.00 0.00 2.97 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.44 0.00 24 H 7.77 4.78 0.00 3.31 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.94 4.99 0.00 2.94 2.88 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 26 G 9.14 5.66 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 27 A 7.42 4.18 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 28 F 8.86 5.64 0.00 3.17 3.26 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 0.00 29 L 9.10 4.97 0.00 1.64 1.63 1.27 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.96 5.52 2.97 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 1.91 1.31 1.17 0.00 0.00 31 R 9.24 4.99 0.00 1.95 2.12 0.00 2.83 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 32 E 8.26 4.82 0.00 2.41 2.14 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 2.16 1.78 0.00 33 S 7.97 3.54 0.00 4.21 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.44 4.05 0.00 2.00 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 0.00 2.35 2.14 0.00 35 S 7.97 4.25 0.00 3.95 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 36 A 7.39 4.43 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 37 P 0.00 4.35 0.00 2.16 2.15 0.00 3.84 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 38 G 5.89 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 0.00 0.00 0.00 39 D 7.10 4.77 0.00 2.56 2.59 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 40 F 8.50 4.92 0.00 3.08 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 41 S 9.20 5.29 0.00 3.90 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 0.00 42 L 8.31 5.02 0.00 2.14 1.67 1.32 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 43 S 9.10 5.31 0.00 3.91 3.79 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 44 V 8.01 5.47 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 -0.40 0.00 0.00 1.13 0.00 0.00 45 K 8.64 4.97 0.00 1.98 1.83 0.00 1.80 0.00 0.00 1.90 0.00 0.00 3.10 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.60 1.51 7.81 46 F 9.06 4.95 0.00 2.88 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 47 G 8.82 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 0.00 0.00 0.00 0.00 48 N 7.43 5.26 0.00 2.82 2.96 0.00 0.00 7.00 8.48 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 49 D 7.36 4.70 0.00 2.65 2.55 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 50 V 8.11 4.58 2.29 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 0.77 0.00 0.00 0.93 0.00 0.00 51 Q 8.14 4.13 0.00 1.91 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 5.13 0.00 0.00 0.00 0.00 0.00 1.58 2.13 0.00 52 H 7.93 5.02 0.00 2.82 3.20 0.00 5.92 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.61 4.87 0.00 2.98 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 54 K 8.59 4.47 0.00 1.90 1.71 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.53 1.54 7.81 55 V 8.23 4.86 2.41 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 0.90 0.00 0.00 1.10 0.00 0.00 56 L 8.39 4.85 0.00 1.00 1.46 1.19 0.52 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 57 R 7.88 5.11 0.00 1.90 1.71 0.00 2.88 0.00 0.00 3.15 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.43 0.00 58 D 9.29 4.79 0.00 2.84 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 59 G 8.12 3.98 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 0.00 0.00 0.00 60 A 8.36 4.52 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 61 G 8.05 3.27 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 0.00 62 K 7.64 4.33 0.00 1.81 1.93 0.00 1.58 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.65 1.44 7.81 63 Y 8.95 5.27 0.00 2.94 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 64 F 7.69 5.46 0.00 3.18 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 65 L 7.49 5.65 0.00 1.83 1.83 0.96 1.13 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 66 W 6.83 5.08 0.00 3.03 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 67 V 6.84 4.28 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 0.86 0.00 0.00 0.61 0.00 0.00 68 V 7.46 3.69 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 0.33 0.00 0.00 0.76 0.00 0.00 69 K 7.60 4.87 0.00 1.99 1.35 0.00 0.92 0.00 0.00 1.31 0.00 0.00 2.73 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.95 1.18 7.81 70 F 8.64 4.44 0.00 3.22 3.07 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 0.00 0.00 0.00 71 N 8.98 5.00 0.00 2.70 2.85 0.00 0.00 6.64 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 72 S 7.75 4.86 0.00 3.99 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 73 L 8.26 3.79 0.00 1.79 1.65 -0.43 -0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.43 3.81 0.00 3.42 3.51 0.00 0.00 6.13 7.70 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 75 E 7.62 3.81 0.00 2.25 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 2.35 2.58 0.00 76 L 7.56 3.04 0.00 1.66 1.58 1.09 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.00 2.92 1.72 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 0.51 0.00 0.00 -0.64 0.00 0.00 78 D 8.06 4.27 0.00 2.62 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 0.00 0.00 0.00 0.00 79 Y 7.57 4.14 0.00 2.69 2.42 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 80 H 7.80 4.01 0.00 3.25 3.16 0.00 5.69 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 81 R 7.76 4.19 0.00 1.86 1.94 0.00 3.13 0.00 0.00 3.40 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.62 0.00 82 S 7.64 4.44 0.00 3.79 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 83 T 7.65 4.73 3.44 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 84 S 8.08 3.30 0.00 3.54 3.41 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 85 V 7.56 4.08 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 0.57 0.00 0.00 0.36 0.00 0.00 86 S 7.43 4.91 0.00 3.92 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 87 R 8.48 4.36 0.00 1.81 1.86 0.00 3.13 0.00 0.00 2.95 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 88 N 7.58 4.70 0.00 2.71 2.82 0.00 0.00 6.89 6.98 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 89 Q 7.48 4.48 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.00 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 90 Q 8.29 4.25 0.00 2.45 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.85 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 91 I 6.78 4.57 0.56 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.60 0.95 0.00 0.00 92 F 8.53 5.20 0.00 2.91 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 93 L 8.23 4.81 0.00 1.23 0.82 -1.27 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 94 R 8.91 5.01 0.00 1.90 1.95 0.00 3.35 0.00 0.00 3.47 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.69 0.00 95 D 8.84 5.04 0.00 2.70 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 96 I 8.12 4.46 1.79 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 1.31 0.72 0.99 0.00 0.00 97 E 9.93 3.28 0.00 2.15 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 2.30 2.49 0.00 98 Q 8.30 3.76 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.00 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 99 V 7.29 3.11 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 0.74 0.00 0.00 0.93 0.00 0.00 100 P 0.00 4.35 0.00 2.19 2.11 0.00 3.78 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 2.00 2.00 0.00 101 Q 7.49 3.05 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.80 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 102 Q 8.96 4.19 0.00 2.19 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.54 0.00 0.00 0.00 0.00 0.00 2.17 2.48 0.00 103 P 0.00 4.46 0.00 2.21 2.13 0.00 3.91 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 104 T 7.87 3.83 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 1.21 0.00 0.00