NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 R 4.9567 7.6774 120.3167 57.4571 31.6231 176.9770 -1 G 3.7916 8.2175 115.5280 46.1055 0.0000 171.8170 0 S 4.6976 9.2961 122.4416 60.4204 64.6138 173.1942 1 M 4.0760 7.9967 120.4067 58.6039 32.1015 178.0162 2 A 4.2092 8.0742 120.5140 54.9254 18.6705 179.0212 3 L 3.5723 7.5552 119.3880 58.2645 41.8799 179.2627 4 K 3.7477 7.9732 119.0250 59.2518 32.1058 178.8791 5 R 4.0282 7.7326 119.0728 59.4305 29.9647 178.1990 6 I 3.3853 8.2821 120.5576 64.2501 37.1094 177.2475 7 H 4.6030 7.8685 113.0148 56.4270 28.3887 176.8148 8 K 4.2802 7.3518 123.4408 59.0075 32.6719 178.6595 9 E 4.1398 8.0065 118.4826 59.0213 29.3255 179.0275 10 L 4.2801 8.2919 120.6802 58.2826 42.2029 178.7699 11 N 4.3557 7.8961 115.4902 56.5627 38.2763 177.2037 12 D 4.4238 7.8374 118.8302 57.1445 41.3318 178.2605 13 L 4.1434 8.6947 121.1929 58.0151 41.8663 178.9138 14 A 4.1658 8.1526 120.3267 54.8473 18.5185 178.9730 15 R 4.2912 7.8322 113.4644 56.5068 31.5518 176.9059 16 D 4.6252 7.5888 116.8723 51.7391 41.7300 173.7192 17 P 4.3316 0.0000 0.0000 62.2207 31.2236 174.9102 18 P 4.2575 0.0000 0.0000 61.9893 32.1561 176.0872 19 A 3.7647 9.0393 123.1736 54.5442 18.5897 177.8963 20 Q 3.6065 8.3914 121.1669 57.1924 28.0266 173.1641 21 C 5.0518 7.7677 116.4741 59.0748 30.7407 173.7354 22 S 4.8936 9.0902 118.3736 56.5983 64.9617 172.7992 23 A 5.0545 7.9330 126.7444 51.2858 22.0361 175.5390 24 G 3.0236 8.6238 108.8952 44.2373 0.0000 170.8377 25 P 4.5231 0.0000 0.0000 62.9332 31.7702 177.6225 26 V 3.8507 8.3377 118.5893 58.3907 30.1648 176.5376 27 G 4.0880 8.6100 114.3716 44.3354 0.0000 172.0658 28 D 4.7696 8.8080 123.7836 52.4948 39.4671 174.7738 29 D 4.8546 7.8691 120.8121 53.3897 41.9035 176.7935 30 M 4.4005 8.8694 126.4504 57.5863 32.5729 177.0633 31 F 4.2985 9.2511 116.9309 57.7580 39.6386 174.2348 32 H 5.4379 8.4999 121.2371 54.5952 32.0852 172.3621 33 W 5.4907 9.6902 125.9139 55.0022 33.1184 174.5254 34 Q 5.1470 9.5127 120.9733 54.6671 32.4510 173.4959 35 A 5.2341 9.1924 125.6201 50.6493 23.2296 174.9064 36 T 4.5615 8.7337 117.2684 61.5153 72.0460 173.2048 37 I 4.7299 8.9489 126.0827 59.3947 41.0533 174.1106 38 M 4.7886 8.4496 130.3421 54.5787 32.2042 176.6798 39 G 4.2758 9.2380 111.7715 45.8328 0.0000 171.1838 40 P 4.5673 0.0000 0.0000 62.6362 32.2536 177.2610 41 N 4.4074 8.9502 118.2644 56.2189 38.5755 176.2250 42 D 4.9140 8.0798 114.9873 52.8907 40.0704 175.7324 43 S 4.9092 7.7167 113.8802 56.1446 65.8096 172.7972 44 P 4.3081 0.0000 0.0000 64.8203 31.1078 176.8651 45 Y 4.8918 7.8188 115.5186 56.8925 38.1404 175.3656 46 Q 4.4720 7.2980 118.3202 57.0860 28.7937 177.7672 47 G 3.9697 8.9487 107.5912 45.6748 0.0000 173.5845 48 G 3.9518 7.8459 107.4283 44.8924 0.0000 173.0727 49 V 4.7200 7.8382 121.7874 60.6660 33.8298 174.7396 50 F 5.1812 9.0704 126.7493 55.8617 41.9735 174.5396 51 F 5.3326 9.3518 122.0191 56.2367 41.4760 174.9178 52 L 5.1609 9.1356 120.5884 53.4903 46.5259 175.3242 53 T 4.8299 8.8202 118.7315 62.0685 70.9316 173.6603 54 I 4.7653 8.8015 126.7748 59.7760 40.6656 174.4770 55 H 5.5014 8.5651 122.8264 53.9950 32.0822 172.6602 56 F 4.3167 9.0221 123.6949 56.0301 39.5617 174.4938 57 P 4.5112 0.0000 0.0000 62.7671 32.0929 177.7795 58 T 4.4764 8.5347 107.7893 62.5786 68.0156 175.1529 59 D 4.9616 9.0965 118.9549 55.2346 43.3574 174.7032 60 Y 4.4433 8.4401 120.3720 57.7741 39.1971 174.1171 61 P 3.3940 0.0000 0.0000 62.4281 31.6085 177.0238 62 F 4.4249 8.0701 117.0214 58.8948 38.9470 175.4361 63 K 4.7105 7.7711 119.9023 53.5210 35.6802 174.3571 64 P 2.9700 0.0000 0.0000 61.2389 31.8622 174.3165 65 P 4.2134 0.0000 0.0000 62.4377 32.7561 176.0906 66 K 4.1585 8.7198 121.9076 55.7220 32.8051 175.7658 67 V 4.7850 8.1073 125.1284 60.9151 33.4655 174.6567 68 A 4.7873 8.4588 128.0479 50.2629 23.1337 174.8601 69 F 4.6238 9.2458 120.0202 57.7784 39.7223 176.7691 70 T 4.3497 9.2816 120.2318 65.0787 69.7829 175.4260 71 T 4.6518 8.1885 117.3093 61.9189 69.8689 175.3663 72 R 4.1184 8.6435 125.9843 56.7397 30.8366 175.3912 73 I 4.8037 8.1052 121.9575 60.2676 40.7161 174.0629 74 Y 3.5562 8.5437 127.8889 56.0916 37.3673 173.7154 75 H 4.8139 7.4903 124.1571 53.2252 33.3500 171.7343 76 P 4.2470 0.0000 0.0000 64.6571 31.7833 177.2132 77 N 4.9497 7.6783 115.9136 52.5754 39.0053 174.0370 78 I 5.3753 7.5657 118.9920 59.3902 39.8132 174.7943 79 N 4.6943 8.3605 125.3928 52.1584 39.2169 175.6293 80 S 4.2086 8.5704 112.8462 62.1649 62.9871 175.0544 81 N 4.4827 8.1036 114.9716 53.7897 38.6270 175.9177 82 G 4.2845 7.9836 106.9057 46.2561 0.0000 173.8815 83 S 4.4595 7.8477 116.3100 58.6778 63.4419 173.0486 84 I 4.8836 8.2054 124.8653 59.9234 38.7322 175.9826 85 C 4.4043 8.5706 126.9525 57.3980 30.1671 170.5011 86 L 4.7239 7.7393 124.1832 52.4084 44.5928 176.3013 87 D 4.4726 9.1628 126.6555 57.6347 41.0679 179.1808 88 I 3.9993 7.7196 110.6635 62.9000 37.6434 177.0399 89 L 4.4684 7.8641 119.4525 55.3462 41.8792 176.5882 90 R 4.5926 7.6958 120.6058 56.6302 37.7400 177.1195 91 S 4.1506 8.9233 117.4744 62.2381 63.3977 176.7301 92 Q 4.4546 8.2285 120.0925 55.0594 28.6192 175.6419 93 W 4.5696 7.7646 127.2942 57.0066 31.7235 175.4247 94 S 4.3099 6.0830 116.1584 55.7084 64.8764 173.2476 95 P 4.1324 0.0000 0.0000 64.5383 31.0748 177.2649 96 A 3.9662 7.0876 119.1615 52.8087 18.4335 177.2577 97 L 4.2909 6.8112 116.5628 53.6219 43.2480 176.1771 98 T 5.1884 7.7368 109.2514 59.4339 73.2540 174.8546 99 I 3.7671 9.8037 123.2627 64.3177 37.0003 178.8171 100 S 4.1424 8.1416 113.7284 61.5837 62.3081 176.3549 101 K 4.0638 7.8092 120.0701 59.2468 31.6899 179.6267 102 V 3.6577 7.9911 118.9056 65.8679 31.4384 178.1520 103 L 3.9649 8.2027 118.9005 57.8065 41.5051 179.4064 104 L 4.0606 7.8870 118.8255 57.9991 41.5291 179.8368 105 S 4.1670 8.3521 115.2193 61.4839 62.7120 176.9229 106 I 3.6898 7.7867 122.4935 64.7413 37.1224 178.0781 107 C 4.0473 8.5013 117.9024 63.2249 27.8511 176.6190 108 S 4.2702 8.1345 116.6133 61.3000 62.2395 176.2822 109 L 4.0272 7.6399 122.2821 58.1475 41.7815 178.8126 110 L 3.8513 7.5913 118.3853 57.3531 41.6032 178.4035 111 C 4.6702 7.4715 113.5440 60.0835 29.7419 174.0481 112 D 4.7577 8.0935 120.0283 51.8323 41.4617 172.6287 113 P 4.5269 0.0000 0.0000 62.3081 32.5141 177.1745 114 N 4.8381 8.1307 118.4043 50.7234 38.0314 173.0424 115 P 4.4815 0.0000 0.0000 63.9934 31.7610 177.9852 116 D 4.5493 8.0649 119.0260 56.2476 41.3589 176.3234 117 D 4.9102 8.0470 118.0319 50.6230 38.7960 172.8684 118 P 4.5416 0.0000 0.0000 63.2302 32.5485 177.1223 119 L 4.2796 8.9911 124.5459 55.6196 42.7812 176.7632 120 V 4.2436 7.0800 117.0816 59.3974 32.2647 173.3944 121 P 4.1749 0.0000 0.0000 65.4553 31.5296 177.2561 122 E 3.9810 8.1587 117.2221 59.4524 29.4114 178.8071 123 I 3.7585 7.6329 119.1901 64.2218 36.9439 178.1060 124 A 4.2225 7.6954 120.4265 55.2701 18.3323 179.4591 125 R 4.0351 7.9818 117.1607 59.0951 30.2668 178.9169 126 I 3.7934 8.0363 112.5628 63.7779 37.2569 177.3607 127 Y 3.9657 7.5895 119.8049 60.2828 38.6961 176.8626 128 K 3.8620 8.1782 119.1017 58.3753 32.4216 178.4523 129 T 4.4012 7.7280 107.8968 61.9929 71.3882 174.7288 130 D 4.7383 7.8554 120.6632 51.4650 41.9555 175.1922 131 R 3.9275 8.0794 123.2611 58.8989 30.2872 177.8511 132 E 3.9525 8.2745 116.9204 59.8389 29.2804 179.2215 133 K 3.9944 8.6978 120.6493 58.4987 32.2289 178.1148 134 Y 3.9968 7.9561 120.2827 60.7888 38.6930 177.8239 135 N 4.3641 8.7180 117.7207 56.0993 38.6227 177.7447 136 R 3.8401 7.5310 119.3684 59.3127 30.1154 179.2211 137 I 3.5332 7.5536 119.3103 64.1186 36.8541 178.2331 138 A 3.4844 7.2046 121.5616 55.0863 17.8142 179.7211 139 R 4.2846 7.5562 117.5071 58.8269 30.3640 178.3962 140 E 4.1049 8.0942 118.4719 59.4210 29.6253 179.2760 141 W 4.2028 8.7388 119.0527 60.3116 28.7044 178.7631 142 T 4.2496 8.0690 115.7235 66.5764 67.6076 176.5734 143 Q 4.0903 8.1139 119.6681 57.6227 29.0153 177.4480 144 K 4.1206 7.6578 116.8494 57.4055 33.3295 176.6058 145 Y 4.8351 7.8577 114.3913 58.1560 41.1177 175.8620 146 A 4.4400 8.0675 120.3977 52.3851 20.6471 176.4602 147 M 4.1879 7.9996 120.0951 55.5311 32.0765 176.0759 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 R 7.68 4.96 0.00 1.99 2.07 0.00 3.21 0.00 0.00 3.91 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.98 0.00 -1 G 8.22 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 0.00 0.00 0.00 0 S 9.30 4.70 0.00 3.92 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 1 M 8.00 4.08 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.74 0.00 2 A 8.07 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.56 3.57 0.00 2.31 1.79 0.98 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.97 3.75 0.00 1.95 1.98 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.43 7.81 5 R 7.73 4.03 0.00 2.07 2.15 0.00 3.36 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 6 I 8.28 3.39 1.56 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.33 0.24 0.00 0.00 7 H 7.87 4.60 0.00 3.37 3.56 0.00 5.44 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 8 K 7.35 4.28 0.00 1.93 1.89 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.55 7.81 9 E 8.01 4.14 0.00 2.29 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 2.42 2.57 0.00 10 L 8.29 4.28 0.00 2.21 1.83 0.51 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 11 N 7.90 4.36 0.00 3.09 2.88 0.00 0.00 7.06 7.96 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 12 D 7.84 4.42 0.00 2.83 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 13 L 8.69 4.14 0.00 2.03 1.92 0.98 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.15 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 15 R 7.83 4.29 0.00 1.87 1.99 0.00 3.18 0.00 0.00 3.16 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 16 D 7.59 4.63 0.00 2.64 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 17 P 0.00 4.33 0.00 2.22 2.13 0.00 3.83 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 18 P 0.00 4.26 0.00 2.22 2.12 0.00 3.83 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 2.01 2.01 0.00 19 A 9.04 3.76 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 20 Q 8.39 3.61 0.00 2.32 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 21 C 7.77 5.05 0.00 2.87 2.87 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 0.00 0.00 0.00 22 S 9.09 4.89 0.00 3.77 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 23 A 7.93 5.05 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 24 G 8.62 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 0.00 0.00 0.00 25 P 0.00 4.52 0.00 1.99 1.82 0.00 2.95 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 26 V 8.34 3.85 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 0.62 0.00 0.00 0.63 0.00 0.00 27 G 8.61 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 28 D 8.81 4.77 0.00 2.76 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 29 D 7.87 4.85 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 30 M 8.87 4.40 0.00 1.94 2.16 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 2.66 2.67 0.00 31 F 9.25 4.30 0.00 3.28 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 32 H 8.50 5.44 0.00 3.51 3.35 0.00 5.73 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 W 9.69 5.49 0.00 3.34 3.22 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 34 Q 9.51 5.15 0.00 2.12 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 35 A 9.19 5.23 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 36 T 8.73 4.56 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 0.72 0.00 0.00 37 I 8.95 4.73 1.89 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 1.38 1.77 1.19 0.00 0.00 38 M 8.45 4.79 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 39 G 9.24 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 40 P 0.00 4.57 0.00 2.30 2.09 0.00 3.76 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 41 N 8.95 4.41 0.00 2.75 2.91 0.00 0.00 6.86 8.06 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 42 D 8.08 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 43 S 7.72 4.91 0.00 4.21 4.13 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 44 P 0.00 4.31 0.00 1.79 2.20 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.89 0.00 45 Y 7.82 4.89 0.00 3.28 3.36 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 46 Q 7.30 4.47 0.00 2.23 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.73 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 47 G 8.95 3.97 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 0.00 0.00 0.00 48 G 7.85 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 0.00 0.00 0.00 49 V 7.84 4.72 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 0.51 0.00 0.00 0.87 0.00 0.00 50 F 9.07 5.18 0.00 3.17 3.29 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 51 F 9.35 5.33 0.00 3.09 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 52 L 9.14 5.16 0.00 1.36 1.30 0.67 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.82 4.83 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 1.02 0.00 0.00 54 I 8.80 4.77 2.02 0.00 0.00 1.00 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 0.73 0.26 0.00 0.00 55 H 8.57 5.50 0.00 2.98 3.12 0.00 5.63 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 9.02 4.32 0.00 2.65 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 57 P 0.00 4.51 0.00 2.31 2.19 0.00 3.66 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 2.32 2.16 0.00 58 T 8.53 4.48 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 1.05 0.00 0.00 59 D 9.10 4.96 0.00 2.80 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 60 Y 8.44 4.44 0.00 3.20 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 61 P 0.00 3.39 0.00 1.87 1.38 0.00 3.80 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 1.38 1.63 0.00 62 F 8.07 4.42 0.00 3.19 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 63 K 7.77 4.71 0.00 1.78 1.66 0.00 1.84 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.55 7.81 64 P 0.00 2.97 0.00 1.67 0.92 0.00 3.59 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 65 P 0.00 4.21 0.00 1.28 0.98 0.00 2.57 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.46 0.00 66 K 8.72 4.16 0.00 1.62 1.72 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.74 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.28 7.81 67 V 8.11 4.78 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 0.59 0.00 0.00 0.70 0.00 0.00 68 A 8.46 4.79 1.19 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 0.00 0.00 69 F 9.25 4.62 0.00 3.17 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 70 T 9.28 4.35 4.55 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 1.25 0.00 0.00 71 T 8.19 4.65 4.77 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 1.54 0.00 0.00 72 R 8.64 4.12 0.00 1.41 1.54 0.00 2.21 0.00 0.00 2.59 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.52 0.00 73 I 8.11 4.80 1.65 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 1.17 0.75 0.41 0.00 0.00 74 Y 8.54 3.56 0.00 1.82 2.40 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 75 H 7.49 4.81 0.00 2.80 2.85 0.00 5.98 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.25 0.00 2.13 2.21 0.00 3.01 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 1.65 1.64 0.00 77 N 7.68 4.95 0.00 2.83 2.83 0.00 0.00 6.92 7.27 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 78 I 7.57 5.38 1.65 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.34 0.70 0.00 0.00 79 N 8.36 4.69 0.00 2.89 2.97 0.00 0.00 6.20 7.28 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 80 S 8.57 4.21 0.00 3.90 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 81 N 8.10 4.48 0.00 2.73 2.87 0.00 0.00 7.03 7.65 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 82 G 7.98 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 83 S 7.85 4.46 0.00 4.07 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 84 I 8.21 4.88 1.90 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 1.64 0.88 0.97 0.00 0.00 85 C 8.57 4.40 0.00 2.91 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.74 4.72 0.00 1.73 1.48 0.95 1.25 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 87 D 9.16 4.47 0.00 2.77 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 88 I 7.72 4.00 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.37 0.98 0.00 0.00 89 L 7.86 4.47 0.00 1.90 1.69 0.89 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.70 4.59 0.00 1.86 1.69 0.00 3.30 0.00 0.00 3.18 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 91 S 8.92 4.15 0.00 4.00 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 92 Q 8.23 4.45 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 93 W 7.76 4.57 0.00 3.62 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 94 S 6.08 4.31 0.00 3.56 3.15 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 95 P 0.00 4.13 0.00 1.62 1.26 0.00 3.52 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 96 A 7.09 3.97 1.06 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 97 L 6.81 4.29 0.00 0.34 1.01 0.58 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 98 T 7.74 5.19 4.53 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 0.00 0.00 0.00 1.27 0.00 0.00 99 I 9.80 3.77 1.96 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.65 0.94 0.00 0.00 100 S 8.14 4.14 0.00 3.97 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 0.00 101 K 7.81 4.06 0.00 2.04 1.85 0.00 1.65 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.44 7.81 102 V 7.99 3.66 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 1.02 0.00 0.00 1.18 0.00 0.00 103 L 8.20 3.96 0.00 1.89 1.71 1.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.89 4.06 0.00 1.88 1.73 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.35 4.17 0.00 4.04 3.93 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 0.00 0.00 0.00 106 I 7.79 3.69 2.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.78 0.98 0.00 0.00 107 C 8.50 4.05 0.00 3.08 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 0.00 108 S 8.13 4.27 0.00 4.07 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 0.00 109 L 7.64 4.03 0.00 1.90 1.73 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.59 3.85 0.00 1.81 1.48 -0.18 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 111 C 7.47 4.67 0.00 3.07 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 0.00 112 D 8.09 4.76 0.00 2.56 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.53 0.00 1.83 1.91 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.22 0.00 114 N 8.13 4.84 0.00 2.72 2.89 0.00 0.00 6.63 7.71 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 0.00 115 P 0.00 4.48 0.00 2.33 2.54 0.00 3.97 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.28 0.00 116 D 8.06 4.55 0.00 3.01 2.77 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 0.00 117 D 8.05 4.91 0.00 2.73 2.64 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 0.00 118 P 0.00 4.54 0.00 2.18 2.09 0.00 3.80 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 119 L 8.99 4.28 0.00 1.53 1.67 0.91 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.08 4.24 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 0.84 0.00 0.00 0.86 0.00 0.00 121 P 0.00 4.17 0.00 2.19 2.11 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 122 E 8.16 3.98 0.00 2.08 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 2.42 2.52 0.00 123 I 7.63 3.76 1.77 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.62 0.60 0.00 0.00 124 A 7.70 4.22 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 0.00 125 R 7.98 4.04 0.00 2.10 1.98 0.00 3.16 0.00 0.00 3.24 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 126 I 8.04 3.79 2.04 0.00 0.00 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 1.61 1.00 1.00 0.00 0.00 127 Y 7.59 3.97 0.00 2.80 3.14 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 0.00 128 K 8.18 3.86 0.00 1.83 1.76 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.64 7.81 129 T 7.73 4.40 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 0.00 130 D 7.86 4.74 0.00 2.67 2.56 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 0.00 131 R 8.08 3.93 0.00 1.85 1.92 0.00 3.07 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.56 0.00 132 E 8.27 3.95 0.00 2.16 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 0.00 2.69 2.34 0.00 133 K 8.70 3.99 0.00 2.31 1.86 0.00 1.80 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.44 7.81 134 Y 7.96 4.00 0.00 3.42 3.14 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 0.00 135 N 8.72 4.36 0.00 2.89 2.86 0.00 0.00 7.04 8.50 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 0.00 136 R 7.53 3.84 0.00 1.99 1.91 0.00 3.14 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 137 I 7.55 3.53 0.77 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 1.46 0.66 0.12 0.00 0.00 138 A 7.20 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 7.56 4.28 0.00 1.74 2.19 0.00 3.10 0.00 0.00 3.04 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.50 0.00 140 E 8.09 4.10 0.00 2.40 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 0.00 2.32 2.59 0.00 141 W 8.74 4.20 0.00 3.44 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 0.00 142 T 8.07 4.25 4.51 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 1.44 0.00 0.00 143 Q 8.11 4.09 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 144 K 7.66 4.12 0.00 1.26 1.54 0.00 1.16 0.00 0.00 1.03 0.00 0.00 2.70 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.98 0.21 7.81 145 Y 7.86 4.84 0.00 3.26 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.07 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 M 8.00 4.19 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.91 0.00