NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4455 8.1233 123.5944 52.3651 20.8919 178.7276 3 S 3.9276 8.2137 111.8733 61.8904 62.7056 175.3385 4 M 4.0675 8.1435 121.2234 58.2658 32.2221 178.3333 5 R 3.9234 7.9343 118.4355 59.3647 30.3962 178.5444 6 V 3.3549 7.9890 118.2492 65.9316 31.3807 178.0753 7 V 3.6111 8.0383 118.1887 65.8189 31.3359 177.7678 8 K 3.8926 7.9279 118.7899 59.5856 31.9965 178.4293 9 E 4.0552 8.4101 118.7780 59.4734 29.4983 179.0926 10 L 3.1621 8.6447 120.4737 57.8673 41.8948 178.4886 11 E 3.8141 8.2971 119.3882 59.4442 29.4638 178.5909 12 D 4.3304 8.0937 118.7239 57.4397 40.4774 178.7862 13 L 3.9779 8.0870 119.5615 57.9617 41.3733 179.6825 14 Q 3.9407 8.2567 117.4489 58.4948 28.6146 178.5171 15 K 4.1963 7.6434 118.7836 57.6524 33.7583 177.8367 16 K 4.5472 7.8252 118.1105 54.0481 31.5433 174.0352 17 P 4.5444 0.0000 0.0000 60.8462 32.9865 175.6208 18 P 4.3807 0.0000 0.0000 61.5249 32.1292 175.5573 19 P 4.2390 0.0000 0.0000 65.2289 31.3827 177.0184 20 Y 4.5733 7.0977 114.4996 56.5782 38.6366 174.2225 21 L 5.0376 7.4573 122.9872 53.4723 44.3347 175.5473 22 R 4.6787 8.6170 124.4005 55.1451 33.4879 174.7800 23 N 4.2447 8.7333 113.9579 54.1284 36.1172 174.7646 24 L 4.4409 7.9082 119.8594 55.3754 42.7839 176.1069 25 S 4.6519 9.0033 120.3733 57.0353 66.7266 174.0895 26 S 5.0160 8.3258 116.7362 57.3282 64.9620 173.1006 27 D 4.6554 9.0605 119.8197 53.8354 41.7376 176.4568 28 D 4.4869 8.8958 123.5418 57.2808 40.7014 178.0795 29 A 4.5582 7.9746 116.0775 51.4074 19.7235 175.0356 30 N 4.8480 7.7864 114.9292 51.8507 39.4578 175.2898 31 V 4.0155 8.3687 118.7446 62.7450 32.2291 177.0990 32 L 4.4261 8.1359 119.5938 54.4783 41.9927 175.6640 33 V 4.9126 7.7712 119.1741 60.9165 34.3329 174.4836 34 W 5.5586 9.5150 127.2586 55.4123 32.8826 174.3044 35 H 5.5999 9.8545 117.7492 53.4399 32.5591 172.5109 36 A 5.0075 8.4425 120.4622 51.3109 22.8507 174.7883 37 L 5.0386 9.0515 120.2303 53.2390 43.9356 175.6772 38 L 4.9137 9.4038 126.9427 54.4421 43.7389 175.4248 39 L 5.1099 9.1644 127.3604 52.4782 42.0353 174.6155 40 P 4.6076 0.0000 0.0000 62.4535 32.2658 177.1689 41 D 4.7202 8.6979 119.9440 55.2088 42.0854 177.2373 42 Q 4.1350 8.3731 121.3126 55.1341 29.3707 173.5311 43 P 4.7400 0.0000 0.0000 62.5445 31.9409 174.1780 44 P 4.8151 0.0000 0.0000 62.9462 31.6026 177.2411 45 Y 4.4162 7.9338 119.4744 61.3414 37.8470 177.5217 46 H 5.3348 8.3596 113.3468 56.9153 28.7261 176.2285 47 L 4.0888 7.4541 120.2708 56.6369 41.7829 175.9279 48 K 4.8112 7.7235 115.8152 54.6092 36.3107 174.8639 49 A 5.0553 8.9090 121.6840 50.5551 23.2627 175.4748 50 F 4.9745 8.9254 116.7177 55.7519 42.9982 174.3882 51 N 5.2705 9.6580 124.2941 53.4929 40.0578 173.7001 52 L 5.2434 9.1029 124.9599 53.9136 44.6637 174.9674 53 R 4.7547 8.7917 121.0237 54.7689 32.6007 174.4587 54 I 4.4286 8.6118 127.9738 59.8333 39.2188 174.6846 55 S 4.9703 8.6525 124.4024 56.7167 65.0023 173.2438 56 F 4.6407 8.8456 124.3472 54.8736 40.4452 174.4588 57 P 4.5490 0.0000 0.0000 61.3649 32.3840 175.2243 58 P 4.2894 0.0000 0.0000 66.0194 31.3456 177.7393 59 E 4.2890 8.1833 115.4713 57.3429 29.8893 175.9342 60 Y 4.4855 7.6508 120.7640 57.9518 39.1332 173.9332 61 P 3.5376 0.0000 0.0000 62.4423 31.4706 176.9843 62 F 4.7554 8.0790 117.7405 58.6222 39.3674 175.9286 63 K 4.6237 7.6624 119.1559 53.3462 35.5889 174.2534 64 P 2.9700 0.0000 0.0000 60.9401 31.8563 174.2391 65 P 4.1546 0.0000 0.0000 63.0130 32.4460 174.9661 66 M 4.5313 8.6857 120.0351 53.6004 34.5748 175.3375 67 I 5.0248 8.0144 122.5361 59.3340 40.7085 174.7680 68 K 4.7067 8.5561 124.6214 55.0290 36.3608 175.3150 69 F 4.9013 9.1421 120.6520 57.5631 39.8139 176.5671 70 T 4.4342 9.0696 112.4763 62.8616 70.4418 175.1326 71 T 4.3875 8.1627 119.2461 62.5612 69.2846 175.1302 72 K 4.1697 8.8055 126.1030 56.7968 32.7493 176.1775 73 I 4.9272 8.1861 121.6841 59.6287 40.9799 174.0838 74 Y 4.1632 8.7385 127.7401 56.2770 38.4992 173.8715 75 H 4.9629 7.7581 125.4497 53.8090 33.1126 172.6828 76 P 4.2955 0.0000 0.0000 64.9905 31.5020 177.1979 77 N 5.0266 8.3199 115.5867 52.5839 38.9673 173.6266 78 V 4.4759 7.4794 117.7761 60.8964 34.1571 175.3205 79 D 4.6674 8.7237 127.0643 52.4600 40.4115 176.7752 80 E 4.0748 8.5316 117.4503 58.1421 29.4838 177.5256 81 N 4.6696 8.6342 115.9325 52.7071 39.0253 175.9264 82 G 4.1683 8.4924 106.9977 46.4870 0.0000 174.0011 83 Q 4.4265 7.9574 118.9640 55.5432 29.4534 175.1496 84 I 4.8984 7.9131 113.0696 59.4785 40.7098 175.2854 85 C 4.4448 8.3441 119.7348 57.9539 27.7721 171.7443 86 L 4.3468 7.8509 124.7820 52.7745 42.1017 175.1245 87 P 4.2592 0.0000 0.0000 65.8039 31.4031 178.7865 88 I 3.7973 7.8710 116.3692 63.0464 37.9979 176.1012 89 I 4.7068 7.5948 111.8231 60.4178 37.7754 176.0939 90 S 4.1818 8.0156 116.2492 58.8169 63.6457 174.6930 91 S 4.1215 8.7774 122.4922 61.6405 62.0737 176.0685 92 E 4.0950 7.9090 120.5723 59.4619 29.6561 178.2155 93 N 4.6226 8.0630 113.1446 53.1664 39.2611 175.3378 94 W 4.3328 8.0696 131.8678 57.1539 31.5081 175.1732 95 K 4.3150 7.0820 124.2361 53.5631 34.5306 175.2205 96 P 4.5043 0.0000 0.0000 63.8585 31.4980 176.9171 97 C 4.1058 7.4299 113.1360 59.8751 30.2146 173.9589 98 T 3.9471 6.9318 118.6606 63.5263 68.4534 174.6762 99 K 4.6718 9.0996 126.5592 55.5320 34.9921 178.1813 100 T 4.1632 9.2525 118.8954 66.7352 68.3189 176.9241 101 C 4.2789 8.3045 116.4316 61.5811 29.6305 175.9315 102 Q 4.0735 8.1457 120.0806 58.6303 28.4077 178.6221 103 V 3.7011 7.7818 118.9324 66.0297 31.5569 178.1567 104 L 4.1468 8.4702 119.1385 57.4945 41.5092 179.0015 105 E 4.0826 8.6922 120.6959 58.7570 29.5875 178.8027 106 A 4.0097 8.1900 120.8711 54.8560 18.4356 179.3722 107 L 3.8548 8.0548 119.0465 58.1795 42.1810 178.5457 108 N 4.1116 8.1679 117.1096 56.7001 38.6506 176.8286 109 V 3.5061 7.6651 119.3939 65.9475 31.3718 177.5747 110 L 3.8755 7.6464 118.7606 58.2576 41.9413 178.9044 111 V 3.3957 7.4127 116.8625 65.9437 31.5750 177.5871 112 N 4.7220 8.1138 115.1199 54.5584 39.3905 175.4143 113 R 4.5250 7.7930 119.3454 52.5769 30.3606 172.7802 114 P 4.1699 0.0000 0.0000 62.7448 30.6869 176.0368 115 N 4.7183 8.4362 120.7489 51.7310 38.6782 174.9329 116 I 3.5446 8.0227 118.4413 62.1506 38.3459 177.7157 117 R 4.1254 8.3743 121.0500 58.5897 30.2351 176.7161 118 E 4.5871 7.5976 116.2608 53.5836 29.6517 173.3207 119 P 4.9665 0.0000 0.0000 60.6364 33.4132 177.0165 120 L 4.1422 8.2814 118.9141 56.1845 42.2635 177.1217 121 R 4.4440 8.0006 117.9059 53.8725 30.8208 175.9572 122 M 4.0787 8.4447 124.0845 58.1226 31.9904 178.1036 123 D 4.3597 8.0337 118.9537 56.4659 39.5790 178.5493 124 L 4.0653 7.8508 119.6968 57.4222 41.7570 179.1234 125 A 3.8612 7.9472 120.7491 55.0968 18.2458 179.3178 126 D 4.2545 8.3434 117.7269 57.4442 40.9485 178.7350 127 L 3.9758 8.1085 120.7903 58.2817 41.9129 178.5724 128 L 3.7923 8.0968 119.0867 58.4607 41.8366 178.9996 129 T 4.0094 7.5012 114.3287 66.8377 68.6330 176.7820 130 Q 4.3422 8.1970 118.8987 57.8228 30.0786 176.5060 131 N 4.9893 8.5786 118.9837 50.6494 40.1564 172.5551 132 P 4.4785 0.0000 0.0000 64.6180 31.6197 177.5607 133 E 3.9673 8.1301 118.1818 59.1611 29.7363 178.2684 134 L 3.9283 8.2943 120.4578 58.0146 42.0172 178.5502 135 F 4.0532 8.3832 120.6363 61.4630 39.2422 177.1420 136 R 3.8928 8.2023 118.1724 59.2260 29.8633 178.5821 137 K 3.8686 8.2457 118.4888 59.5243 32.1052 178.9897 138 N 3.9775 8.0076 116.3827 56.1971 38.3742 177.4173 139 A 3.6572 7.6164 122.3346 54.7037 18.3411 179.2634 140 E 3.7494 8.2164 118.2400 59.3030 29.7476 178.6228 141 E 3.8256 7.9901 119.2483 59.3816 29.6698 178.6125 142 F 4.1019 8.1770 120.5858 61.4302 39.3356 177.2396 143 T 4.1321 8.5758 115.8657 66.8952 68.1378 176.7679 144 L 3.9158 8.0693 119.7900 57.4575 41.6068 179.3994 145 R 3.7012 7.7508 118.1186 58.7297 30.1438 177.1178 146 F 4.6657 7.7878 114.3627 57.3794 40.7510 176.4004 147 G 3.5447 7.9832 107.9762 46.0461 0.0000 173.6015 148 V 4.0421 8.2349 122.1195 61.6897 33.0630 175.1332 149 D 4.5334 8.7580 126.2205 54.9129 41.3266 176.5419 150 R 3.9633 8.5633 123.6970 55.3475 30.4336 174.3808 151 P 4.4320 0.0000 0.0000 63.1683 31.3007 176.1519 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 8.12 4.45 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.21 3.93 0.00 3.97 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 4 M 8.14 4.07 0.00 2.08 2.13 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 2.71 2.61 0.00 5 R 7.93 3.92 0.00 1.92 2.11 0.00 3.17 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.84 0.00 6 V 7.99 3.35 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 0.38 0.00 0.00 0.23 0.00 0.00 7 V 8.04 3.61 2.17 0.00 0.00 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 8 K 7.93 3.89 0.00 2.01 2.00 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.51 7.81 9 E 8.41 4.06 0.00 2.47 2.33 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 2.47 2.65 0.00 10 L 8.64 3.16 0.00 1.27 1.71 -0.65 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.30 3.81 0.00 2.20 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 2.28 2.31 0.00 12 D 8.09 4.33 0.00 3.01 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 13 L 8.09 3.98 0.00 1.83 1.65 1.22 0.86 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 14 Q 8.26 3.94 0.00 1.89 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 15 K 7.64 4.20 0.00 1.65 1.83 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.53 7.81 16 K 7.83 4.55 0.00 1.68 1.72 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.47 7.81 17 P 0.00 4.54 0.00 2.09 2.05 0.00 3.36 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 1.93 1.86 0.00 18 P 0.00 4.38 0.00 0.87 1.92 0.00 3.53 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.72 0.00 19 P 0.00 4.24 0.00 2.13 2.18 0.00 3.55 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 20 Y 7.10 4.57 0.00 3.33 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 21 L 7.46 5.04 0.00 1.46 1.44 1.13 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.62 4.68 0.00 1.86 1.77 0.00 3.50 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 23 N 8.73 4.24 0.00 2.87 2.89 0.00 0.00 6.90 7.85 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 24 L 7.91 4.44 0.00 1.59 1.47 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 9.00 4.65 0.00 3.85 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.33 5.02 0.00 4.00 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 27 D 9.06 4.66 0.00 2.94 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 28 D 8.90 4.49 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 29 A 7.97 4.56 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 30 N 7.79 4.85 0.00 2.82 2.75 0.00 0.00 7.19 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 31 V 8.37 4.02 2.16 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 0.80 0.00 0.00 0.96 0.00 0.00 32 L 8.14 4.43 0.00 1.95 1.86 0.99 0.44 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 33 V 7.77 4.91 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 1.01 0.00 0.00 0.93 0.00 0.00 34 W 9.52 5.56 0.00 3.26 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 35 H 9.85 5.60 0.00 3.05 3.19 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.44 5.01 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 37 L 9.05 5.04 0.00 1.73 1.68 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 38 L 9.40 4.91 0.00 1.99 1.92 1.18 0.71 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 39 L 9.16 5.11 0.00 1.64 1.74 1.02 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.61 0.00 2.38 2.00 0.00 3.94 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.19 0.00 41 D 8.70 4.72 0.00 2.74 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 42 Q 8.37 4.13 0.00 2.33 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 7.08 0.00 0.00 0.00 0.00 0.00 2.69 2.70 0.00 43 P 0.00 4.74 0.00 2.11 2.00 0.00 3.77 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 44 P 0.00 4.82 0.00 2.09 2.17 0.00 3.02 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 1.53 1.96 0.00 45 Y 7.93 4.42 0.00 3.34 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.36 5.33 0.00 3.36 3.62 0.00 5.13 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.45 4.09 0.00 1.65 1.70 0.85 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.72 4.81 0.00 1.26 1.53 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.69 7.81 49 A 8.91 5.06 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 50 F 8.93 4.97 0.00 3.16 3.09 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 51 N 9.66 5.27 0.00 2.83 2.80 0.00 0.00 6.26 6.34 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 52 L 9.10 5.24 0.00 1.60 1.36 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.79 4.75 0.00 1.89 1.76 0.00 3.09 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 54 I 8.61 4.43 1.62 0.00 0.00 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 1.08 0.48 0.01 0.00 0.00 55 S 8.65 4.97 0.00 3.51 3.62 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 56 F 8.85 4.64 0.00 2.51 2.53 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 0.00 57 P 0.00 4.55 0.00 2.41 2.11 0.00 3.73 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 2.19 2.02 0.00 58 P 0.00 4.29 0.00 2.09 2.21 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 59 E 8.18 4.29 0.00 2.16 2.13 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 2.45 2.41 0.00 60 Y 7.65 4.49 0.00 3.02 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 61 P 0.00 3.54 0.00 1.85 1.26 0.00 3.05 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.38 0.00 62 F 8.08 4.76 0.00 3.22 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 63 K 7.66 4.62 0.00 1.67 1.53 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.46 7.81 64 P 0.00 2.97 0.00 1.64 1.07 0.00 3.46 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 65 P 0.00 4.15 0.00 1.29 0.74 0.00 2.85 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 66 M 8.69 4.53 0.00 1.76 1.77 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 67 I 8.01 5.02 1.67 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.32 0.61 0.00 0.00 68 K 8.56 4.71 0.00 1.92 1.90 0.00 1.27 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.24 1.38 7.81 69 F 9.14 4.90 0.00 3.03 3.25 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 70 T 9.07 4.43 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 1.28 0.00 0.00 71 T 8.16 4.39 4.60 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 1.36 0.00 0.00 72 K 8.81 4.17 0.00 1.49 1.92 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 0.87 7.81 73 I 8.19 4.93 1.47 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.63 0.38 0.00 0.00 74 Y 8.74 4.16 0.00 2.30 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 75 H 7.76 4.96 0.00 2.90 2.84 0.00 5.73 0.00 0.00 0.00 0.00 6.67 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 4.30 0.00 2.17 2.26 0.00 3.33 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.72 0.00 77 N 8.32 5.03 0.00 2.74 2.80 0.00 0.00 6.53 7.68 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 78 V 7.48 4.48 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 0.98 0.00 0.00 0.71 0.00 0.00 79 D 8.72 4.67 0.00 2.91 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 80 E 8.53 4.07 0.00 1.96 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 0.00 2.22 2.25 0.00 81 N 8.63 4.67 0.00 2.80 2.84 0.00 0.00 7.02 8.36 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 82 G 8.49 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.96 4.43 0.00 2.35 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.28 0.00 84 I 7.91 4.90 1.88 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 1.35 0.61 1.11 0.00 0.00 85 C 8.34 4.44 0.00 2.94 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.85 4.35 0.00 1.68 1.53 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.26 0.00 2.22 2.11 0.00 3.65 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 88 I 7.87 3.80 1.91 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 1.56 0.77 0.99 0.00 0.00 89 I 7.59 4.71 1.74 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.78 0.97 0.00 0.00 90 S 8.02 4.18 0.00 3.95 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 91 S 8.78 4.12 0.00 3.90 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 92 E 7.91 4.09 0.00 2.06 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 2.35 2.37 0.00 93 N 8.06 4.62 0.00 2.96 2.88 0.00 0.00 6.83 7.68 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 94 W 8.07 4.33 0.00 3.44 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 95 K 7.08 4.31 0.00 1.42 1.33 0.00 1.57 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.22 7.81 96 P 0.00 4.50 0.00 1.97 2.17 0.00 3.18 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.98 0.00 97 C 7.43 4.11 0.00 2.97 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 98 T 6.93 3.95 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 1.25 0.00 0.00 99 K 9.10 4.67 0.00 1.85 1.83 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.63 7.81 100 T 9.25 4.16 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 1.30 0.00 0.00 101 C 8.30 4.28 0.00 3.25 3.31 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 0.00 102 Q 8.15 4.07 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.95 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 103 V 7.78 3.70 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 1.03 0.00 0.00 1.25 0.00 0.00 104 L 8.47 4.15 0.00 1.92 1.94 1.16 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.69 4.08 0.00 2.33 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 0.00 2.31 2.24 0.00 106 A 8.19 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.05 3.85 0.00 1.74 1.86 0.88 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.17 4.11 0.00 2.32 2.46 0.00 0.00 6.86 7.22 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 0.00 109 V 7.67 3.51 2.20 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 1.00 0.00 0.00 0.93 0.00 0.00 110 L 7.65 3.88 0.00 1.65 1.88 0.90 0.83 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 0.00 111 V 7.41 3.40 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 0.38 0.00 0.00 0.88 0.00 0.00 112 N 8.11 4.72 0.00 2.81 2.87 0.00 0.00 6.87 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 0.00 113 R 7.79 4.53 0.00 1.83 1.82 0.00 3.35 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 114 P 0.00 4.17 0.00 1.90 1.83 0.00 3.62 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 1.94 1.98 0.00 115 N 8.44 4.72 0.00 2.67 2.81 0.00 0.00 6.92 7.82 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 0.00 116 I 8.02 3.54 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.52 0.79 0.00 0.00 117 R 8.37 4.13 0.00 1.96 2.00 0.00 3.08 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 118 E 7.60 4.59 0.00 1.92 1.82 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 2.21 2.23 0.00 119 P 0.00 4.97 0.00 2.17 1.98 0.00 3.33 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.01 0.00 120 L 8.28 4.14 0.00 1.60 1.73 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 121 R 8.00 4.44 0.00 1.70 1.73 0.00 3.07 0.00 0.00 3.11 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.47 0.00 122 M 8.44 4.08 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.57 0.00 123 D 8.03 4.36 0.00 2.88 2.93 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 0.00 124 L 7.85 4.07 0.00 1.82 1.81 0.69 -0.01 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 0.00 125 A 7.95 3.86 1.26 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 0.00 126 D 8.34 4.25 0.00 2.87 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 0.00 127 L 8.11 3.98 0.00 1.92 2.08 1.06 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 128 L 8.10 3.79 0.00 0.65 1.54 0.39 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.50 4.01 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 1.18 0.00 0.00 130 Q 8.20 4.34 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.05 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 131 N 8.58 4.99 0.00 2.65 2.68 0.00 0.00 7.19 7.55 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 0.00 132 P 0.00 4.48 0.00 2.23 2.09 0.00 3.67 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 133 E 8.13 3.97 0.00 2.10 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 2.39 2.44 0.00 134 L 8.29 3.93 0.00 1.91 1.92 0.92 0.82 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 0.00 135 F 8.38 4.05 0.00 3.30 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 0.00 136 R 8.20 3.89 0.00 2.19 2.10 0.00 3.17 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 137 K 8.25 3.87 0.00 1.91 1.78 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.62 7.81 138 N 8.01 3.98 0.00 2.35 1.86 0.00 0.00 6.97 6.87 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 0.00 139 A 7.62 3.66 0.95 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 0.00 140 E 8.22 3.75 0.00 2.03 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 2.25 2.26 0.00 141 E 7.99 3.83 0.00 2.10 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 2.26 2.26 0.00 142 F 8.18 4.10 0.00 3.16 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 0.00 143 T 8.58 4.13 4.44 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 1.39 0.00 0.00 144 L 8.07 3.92 0.00 1.50 1.65 0.87 0.77 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 0.00 145 R 7.75 3.70 0.00 1.54 1.63 0.00 2.89 0.00 0.00 2.78 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.92 0.00 146 F 7.79 4.67 0.00 2.88 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 0.00 147 G 7.98 3.54 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 0.00 0.00 0.00 148 V 8.23 4.04 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 0.90 0.00 0.00 0.91 0.00 0.00 149 D 8.76 4.53 0.00 2.57 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 0.00 150 R 8.56 3.96 0.00 1.89 1.85 0.00 3.37 0.00 0.00 3.44 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 151 P 0.00 4.43 0.00 2.10 1.99 0.00 3.79 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 2.06 2.11 0.00