NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3600 0.0000 0.0000 61.8436 32.6244 175.9104 3 K 3.8154 8.7849 120.9882 56.0871 32.5876 175.0092 4 K 4.0877 9.3364 127.2557 56.7065 33.9761 175.2097 5 V 4.8664 8.3711 126.1796 61.3120 33.4097 174.4025 6 L 4.7670 8.9778 127.8012 53.1220 45.1810 175.4705 7 T 4.9871 8.2301 118.0589 62.1135 70.9773 173.7980 8 G 4.1955 8.7563 111.9326 45.7754 0.0000 171.4779 9 V 4.9994 8.3059 118.8853 59.5344 34.5641 175.4481 10 V 4.2583 8.5557 123.9862 63.2531 31.9215 176.4916 11 V 4.3602 8.6461 120.9161 61.4452 33.1478 176.0181 12 S 4.6588 7.6010 115.1079 56.8254 65.4867 174.0844 13 D 5.0821 8.5612 125.9163 53.2995 39.9007 176.4573 14 K 4.4745 7.8443 116.4381 57.6147 32.2236 176.6381 15 M 4.7649 7.5572 118.5745 53.0452 34.7786 175.1536 16 Q 4.3119 8.7003 122.0072 57.1378 29.1795 176.1734 17 K 4.6325 9.6711 121.8138 56.9061 30.2347 175.1392 18 T 5.1946 7.8706 113.9765 62.4104 72.6653 173.8794 19 V 4.7544 8.5939 118.8407 59.9241 35.8282 174.8018 20 T 4.6321 8.8612 121.7563 62.8313 69.9818 173.8583 21 V 4.6249 9.0794 127.8173 60.9391 33.4756 174.4732 22 L 4.5354 8.8872 131.6190 54.8459 43.5408 175.7050 23 V 4.6876 8.9265 125.2102 61.3685 34.6755 174.2966 24 E 5.3059 8.8466 126.7563 55.0751 32.2106 175.3649 25 R 4.8234 8.8942 116.6922 55.2783 32.9539 174.2794 26 Q 4.8984 8.4678 120.7748 54.7390 31.3931 174.3501 27 F 4.7534 8.1519 113.4377 55.6646 41.5354 171.4313 28 P 4.8561 0.0000 0.0000 62.4376 32.1715 175.6680 29 H 4.4406 8.6386 124.7236 55.1613 30.2910 174.2284 30 P 4.2650 0.0000 0.0000 65.2343 30.9414 176.5573 31 L 4.5216 7.8321 117.2312 55.0307 44.0073 176.0757 32 Y 4.7804 8.0739 113.2645 57.3765 38.2849 175.8347 33 G 4.1991 7.7630 114.2397 46.2071 0.0000 173.1411 34 K 4.5390 7.2426 119.4317 52.4047 33.4885 174.3535 35 V 4.0399 8.5292 128.5893 63.2571 31.8666 175.1760 36 I 4.2818 8.3411 122.5611 59.3172 40.5596 174.9558 37 K 4.7447 8.2345 123.0131 55.0798 34.0776 175.4815 38 R 4.8298 8.5424 126.6478 54.9789 33.0028 175.2537 39 S 5.2735 8.2629 114.0259 57.6131 66.7094 172.7795 40 K 4.4999 9.1758 119.2858 55.3829 35.7693 174.0927 41 K 4.8798 8.4324 125.6060 55.3742 33.6906 175.4095 42 Y 4.5878 8.8554 122.1240 56.0809 41.3064 174.9272 43 L 4.8017 8.7028 123.6308 53.9280 42.9574 175.4885 44 A 5.0973 8.7714 126.6004 50.4215 21.8913 175.1339 45 H 4.8054 9.3287 120.9045 56.0947 31.3478 174.2073 46 D 5.0666 9.1769 125.4940 51.2508 40.6941 173.5659 47 P 4.2473 0.0000 0.0000 65.0366 31.8322 177.9821 48 E 4.2742 8.2469 115.6977 55.3748 29.7306 176.7578 49 E 3.8649 7.7151 116.2727 56.4371 28.3198 175.0651 50 K 3.8063 7.8063 120.5093 59.5969 32.1488 176.5550 51 Y 4.3286 8.4984 115.0513 57.3492 38.6168 174.9548 52 K 4.5863 8.2688 121.9829 53.9367 35.0567 175.0537 53 L 4.0475 8.2389 122.0361 56.7578 42.1157 176.7666 54 G 4.0784 8.8063 114.3066 45.0054 0.0000 172.5763 55 D 4.7776 7.9033 120.8504 54.0851 42.3907 175.4480 56 V 4.6321 8.8940 123.4874 61.7217 33.2625 175.1591 57 V 4.9448 8.8074 120.4223 59.7006 36.4427 174.0151 58 E 4.9248 8.9000 121.1959 55.0490 31.7581 175.5432 59 I 4.8544 9.1744 124.6870 59.4530 40.8597 174.4135 60 I 5.1661 8.6869 125.3216 58.7637 41.3862 173.9501 61 E 3.3189 9.4400 129.8938 57.3208 29.7895 176.1912 62 S 4.6787 7.9593 121.0485 56.4709 67.8047 173.7952 63 R 3.8925 8.4508 121.5235 55.4160 30.3511 174.3223 64 P 4.2715 0.0000 0.0000 63.6588 31.6622 175.9527 65 I 4.2015 8.0869 123.1045 61.5673 38.7014 175.6173 66 S 4.4900 7.2185 112.8215 57.1617 64.5394 175.6191 67 K 4.0605 8.5340 122.8642 58.5609 31.9608 175.9084 68 R 4.1327 9.0442 126.2366 55.6598 28.9758 174.7149 69 K 4.7198 8.1222 118.2873 54.2799 32.1845 175.2884 70 R 4.9199 8.4713 124.7185 55.5006 32.6065 174.8457 71 F 5.2673 8.2382 116.2896 55.9982 43.8396 173.7188 72 R 4.9664 8.7237 119.5014 54.2195 34.0758 175.6158 73 V 3.9344 8.0302 122.1805 62.5467 30.7818 175.6510 74 L 4.2560 8.7676 131.3841 56.9274 42.2509 176.8690 75 R 4.6128 7.3542 112.3395 55.5946 32.2732 172.2578 76 L 4.6944 8.7972 122.0387 54.8412 42.3029 176.2197 77 V 4.1014 9.1586 127.7943 65.0041 32.6082 175.1285 78 E 4.9558 7.8040 115.9629 56.4708 32.3160 174.5800 79 S 4.7571 8.5898 113.7759 58.1908 65.9281 173.1112 80 G 3.7544 8.7448 105.8423 47.2712 0.0000 174.8414 81 R 4.7080 7.6600 116.1438 53.5917 29.4784 177.4028 82 M 4.1899 7.8270 120.1060 57.6604 31.8554 177.9044 83 D 4.5818 8.1018 119.5230 56.6463 39.4515 178.6267 84 L 4.0145 7.8074 120.4237 57.1010 41.5265 179.5717 85 V 3.6258 7.7249 117.6668 66.3484 31.5269 177.1232 86 E 3.9217 9.1800 119.0337 59.8375 29.3575 179.3078 87 K 3.8242 8.2366 117.4650 60.0950 32.2149 178.0301 88 Y 4.0854 7.9623 118.6139 61.0734 38.7092 178.3804 89 L 3.6771 8.1997 119.6321 57.9048 41.7024 179.7334 90 I 3.5923 8.0755 119.6627 64.4831 37.1841 178.2642 91 R 3.7689 8.2679 119.7665 59.6831 29.5204 178.4584 92 R 3.1247 7.3476 117.4901 58.7368 29.7567 177.9682 93 Q 4.0212 7.8806 119.5230 59.1989 28.8677 177.6499 94 N 4.1678 8.0325 116.3135 57.4991 38.9861 176.1786 95 Y 4.1771 7.9334 114.8936 62.0843 37.8299 178.7197 96 E 4.3022 8.2697 113.6774 57.4030 29.1872 178.1579 97 S 4.8730 8.4751 112.5939 57.8241 63.6873 174.1776 98 L 4.2696 7.7241 118.6462 54.9870 43.5615 178.2210 99 S 4.1003 8.3882 116.5560 58.1226 63.9000 176.2153 100 K 3.8681 8.5789 118.3604 58.4912 31.7868 177.7508 101 R 4.4744 7.6947 116.5567 55.5883 30.5937 176.7946 102 G 4.4785 8.0767 108.5643 46.7208 0.0000 171.3376 103 G 3.9830 7.7437 111.8192 46.1585 0.0000 174.6923 104 K 4.2111 8.2665 119.0775 55.1646 33.9095 177.2611 105 A 4.2336 8.3353 122.1096 52.5724 18.7439 177.5441 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 P 0.00 4.36 0.00 2.19 2.13 0.00 3.76 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 1.88 1.99 0.00 3 K 8.78 3.82 0.00 1.74 1.94 0.00 1.74 0.00 0.00 1.88 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.49 7.81 4 K 9.34 4.09 0.00 1.99 1.87 0.00 1.47 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.43 7.81 5 V 8.37 4.87 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 0.90 0.00 0.00 0.98 0.00 0.00 6 L 8.98 4.77 0.00 0.97 1.14 0.10 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.23 4.99 4.18 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 1.23 0.00 0.00 8 G 8.76 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 0.00 0.00 0.00 9 V 8.31 5.00 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 0.72 0.00 0.00 0.95 0.00 0.00 10 V 8.56 4.26 2.21 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 0.97 0.00 0.00 0.99 0.00 0.00 11 V 8.65 4.36 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.54 0.00 0.00 12 S 7.60 4.66 0.00 3.88 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.56 5.08 0.00 2.91 2.81 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 14 K 7.84 4.47 0.00 1.80 1.89 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.57 7.81 15 M 7.56 4.76 0.00 2.09 2.10 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 2.52 2.48 0.00 16 Q 8.70 4.31 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 17 K 9.67 4.63 0.00 2.02 1.95 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.37 7.81 18 T 7.87 5.19 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 1.32 0.00 0.00 19 V 8.59 4.75 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 0.78 0.00 0.00 0.95 0.00 0.00 20 T 8.86 4.63 4.16 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 1.11 0.00 0.00 21 V 9.08 4.62 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 0.89 0.00 0.00 0.83 0.00 0.00 22 L 8.89 4.54 0.00 1.49 1.39 0.91 0.62 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 23 V 8.93 4.69 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 0.99 0.00 0.00 0.91 0.00 0.00 24 E 8.85 5.31 0.00 1.89 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 2.25 2.29 0.00 25 R 8.89 4.82 0.00 1.94 2.03 0.00 2.71 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 26 Q 8.47 4.90 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 27 F 8.15 4.75 0.00 3.17 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 28 P 0.00 4.86 0.00 2.06 2.09 0.00 3.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 29 H 8.64 4.44 0.00 3.23 3.27 0.00 5.62 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.27 0.00 2.14 2.18 0.00 3.19 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 31 L 7.83 4.52 0.00 1.35 1.07 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.07 4.78 0.00 2.76 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 33 G 7.76 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 0.00 0.00 0.00 34 K 7.24 4.54 0.00 1.88 1.68 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.49 7.81 35 V 8.53 4.04 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 0.80 0.00 0.00 0.93 0.00 0.00 36 I 8.34 4.28 1.68 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 -0.31 0.91 0.00 0.00 37 K 8.23 4.74 0.00 1.70 1.69 0.00 1.77 0.00 0.00 2.10 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.46 7.81 38 R 8.54 4.83 0.00 2.15 1.97 0.00 3.23 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 39 S 8.26 5.27 0.00 3.93 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 40 K 9.18 4.50 0.00 1.75 1.62 0.00 0.83 0.00 0.00 0.61 0.00 0.00 2.65 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.88 1.17 7.81 41 K 8.43 4.88 0.00 1.59 1.63 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.19 1.40 7.81 42 Y 8.86 4.59 0.00 2.75 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 43 L 8.70 4.80 0.00 1.81 1.67 0.94 0.87 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 44 A 8.77 5.10 1.23 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 0.00 0.00 45 H 9.33 4.81 0.00 3.25 3.24 0.00 5.73 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 9.18 5.07 0.00 2.76 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 47 P 0.00 4.25 0.00 2.22 2.17 0.00 3.79 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 48 E 8.25 4.27 0.00 2.02 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 2.33 2.32 0.00 49 E 7.72 3.86 0.00 2.13 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 2.25 2.37 0.00 50 K 7.81 3.81 0.00 1.52 1.65 0.00 0.98 0.00 0.00 1.30 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.65 1.13 7.81 51 Y 8.50 4.33 0.00 2.94 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 52 K 8.27 4.59 0.00 1.92 1.72 0.00 1.56 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.39 7.81 53 L 8.24 4.05 0.00 1.76 1.60 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.81 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 55 D 7.90 4.78 0.00 2.73 2.69 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 0.00 0.00 0.00 0.00 56 V 8.89 4.63 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 0.98 0.00 0.00 0.93 0.00 0.00 57 V 8.81 4.94 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 0.57 0.00 0.00 0.75 0.00 0.00 58 E 8.90 4.92 0.00 1.85 1.79 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 2.20 2.25 0.00 59 I 9.17 4.85 1.60 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.92 0.28 0.00 0.00 60 I 8.69 5.17 1.90 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 1.14 1.65 0.98 0.00 0.00 61 E 9.44 3.32 0.00 2.11 1.78 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 2.02 2.17 0.00 62 S 7.96 4.68 0.00 3.64 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.45 3.89 0.00 1.72 1.79 0.00 3.24 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 64 P 0.00 4.27 0.00 2.04 1.99 0.00 3.66 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 2.00 2.09 0.00 65 I 8.09 4.20 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.30 0.77 0.00 0.00 66 S 7.22 4.49 0.00 3.94 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 67 K 8.53 4.06 0.00 1.74 1.78 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.43 7.81 68 R 9.04 4.13 0.00 1.85 2.38 0.00 3.31 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 69 K 8.12 4.72 0.00 1.82 1.69 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.39 7.81 70 R 8.47 4.92 0.00 1.77 1.54 0.00 3.17 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 71 F 8.24 5.27 0.00 2.95 2.82 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 0.00 0.00 0.00 72 R 8.72 4.97 0.00 1.78 1.82 0.00 3.18 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 73 V 8.03 3.93 1.66 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 -0.64 0.00 0.00 0.74 0.00 0.00 74 L 8.77 4.26 0.00 1.77 1.67 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.35 4.61 0.00 1.94 2.03 0.00 3.03 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 76 L 8.80 4.69 0.00 1.87 1.70 1.24 0.93 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 77 V 9.16 4.10 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 0.82 0.00 0.00 0.91 0.00 0.00 78 E 7.80 4.96 0.00 2.02 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 2.16 2.21 0.00 79 S 8.59 4.76 0.00 4.03 3.92 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 80 G 8.74 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 81 R 7.66 4.71 0.00 1.85 2.03 0.00 3.31 0.00 0.00 3.36 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 82 M 7.83 4.19 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.56 0.00 83 D 8.10 4.58 0.00 2.87 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 84 L 7.81 4.01 0.00 1.86 1.76 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.72 3.63 2.27 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 1.22 0.00 0.00 0.99 0.00 0.00 86 E 9.18 3.92 0.00 2.16 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 2.55 2.54 0.00 87 K 8.24 3.82 0.00 2.04 1.93 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.67 7.81 88 Y 7.96 4.09 0.00 3.04 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 89 L 8.20 3.68 0.00 1.86 1.66 0.95 1.17 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 90 I 8.08 3.59 1.97 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 1.38 0.84 0.89 0.00 0.00 91 R 8.27 3.77 0.00 1.82 1.91 0.00 2.90 0.00 0.00 2.76 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 92 R 7.35 3.12 0.00 1.06 1.61 0.00 2.99 0.00 0.00 3.01 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.33 0.00 93 Q 7.88 4.02 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.47 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 94 N 8.03 4.17 0.00 3.00 3.06 0.00 0.00 7.09 8.11 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 95 Y 7.93 4.18 0.00 3.27 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 96 E 8.27 4.30 0.00 1.93 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 2.41 0.00 97 S 8.48 4.87 0.00 3.88 3.88 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 98 L 7.72 4.27 0.00 1.61 1.44 0.73 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.39 4.10 0.00 3.98 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 0.00 100 K 8.58 3.87 0.00 1.76 1.92 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.48 7.81 101 R 7.69 4.47 0.00 1.78 1.92 0.00 3.39 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 102 G 8.08 4.48 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 0.00 103 G 7.74 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 0.00 104 K 8.27 4.21 0.00 1.76 1.75 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.37 7.81 105 A 8.34 4.23 1.23 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 0.00 0.00