NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 M 4.4067 8.3049 120.3502 55.4603 33.3631 174.6591 1 D 4.4599 8.4570 117.2753 53.7404 41.9500 174.1324 2 I 4.2970 9.9122 124.7063 60.3103 39.6081 174.8825 3 I 4.8037 8.4034 127.7153 59.6290 39.7418 174.7785 4 L 4.9046 9.0474 127.4926 52.9150 45.4043 176.2529 5 G 4.5452 8.3834 107.5709 45.0224 0.0000 172.0448 6 I 4.6267 8.7913 124.1019 59.2819 41.6811 173.6439 7 R 4.7076 8.7080 130.3952 54.9990 30.1061 175.9196 8 V 4.2099 8.1148 130.1508 61.4888 31.1873 177.3039 9 Q 4.1243 8.7778 124.3668 59.9519 29.1887 177.9073 10 D 5.1389 7.5538 115.5737 53.4066 42.2614 175.3967 11 S 4.6821 7.5814 111.7733 57.8042 65.1997 173.6167 12 V 4.8525 8.3407 120.2371 61.1315 34.0648 174.3849 13 I 4.6040 8.6933 127.8496 59.4346 40.0113 174.3448 14 L 5.2789 8.6401 125.9108 52.7906 44.3082 175.5547 15 A 4.8162 8.8072 125.2291 50.2017 21.9691 175.2692 16 S 5.0920 8.4547 117.6207 56.4709 66.5382 174.1634 17 S 4.1979 8.7480 120.1868 59.4308 62.9379 174.8673 18 K 4.7695 9.0095 119.3316 56.4634 33.3728 176.4627 19 A 4.7470 7.9270 121.8554 51.7843 19.6336 177.5971 20 V 4.2594 8.7453 119.8888 61.7648 34.3519 174.0633 21 T 5.0328 8.5660 124.3439 61.7732 71.0063 174.8638 22 R 4.4118 8.9145 124.9150 54.7412 33.1940 178.3654 23 G 3.8816 9.1796 117.2014 46.6202 0.0000 173.1277 24 I 4.1107 8.9981 124.3526 61.3791 39.5149 174.3880 25 S 4.6909 7.7509 116.0875 56.5749 65.6693 173.2717 26 V 4.2498 8.2598 124.0111 62.0567 31.3561 175.7858 27 L 4.3099 8.7366 128.5992 56.3586 42.3614 177.1514 28 K 4.5875 7.6171 118.1055 55.3547 34.8629 174.9882 29 D 5.0128 8.7297 122.9100 53.0329 39.8730 175.7715 30 S 4.7623 7.8767 111.8117 58.3443 64.3938 173.1579 31 D 4.4053 8.4398 121.3655 55.0528 42.1482 174.5594 32 D 4.8670 8.6580 126.1011 51.9206 41.8280 176.7616 33 K 3.9545 7.8392 131.5366 55.7761 31.7221 176.2005 34 T 4.9458 6.9790 112.2186 60.7858 71.5259 173.7662 35 R 4.7595 9.0360 123.6776 54.6807 35.1802 173.9888 36 Q 4.4540 8.7247 124.8981 55.4255 29.6996 176.2936 37 L 4.1587 8.8296 127.8077 57.1069 42.3908 176.9076 38 S 4.6128 7.6888 110.8127 56.1343 65.5025 173.0540 39 P 4.8135 0.0000 0.0000 65.0392 30.6866 176.7301 40 H 4.9308 9.4312 114.3037 55.2810 29.5016 172.7705 41 T 5.0149 8.3380 117.0773 61.8179 72.0644 172.6640 42 L 5.1575 9.2424 128.8461 53.3272 45.5451 174.6350 43 M 5.3876 9.1120 124.8961 53.8457 35.4591 174.2329 44 S 5.1503 9.0010 120.8763 56.9215 66.0086 172.9374 45 F 5.6616 7.7032 115.0143 56.1390 41.1682 173.2177 46 A 4.7166 8.9557 120.3599 50.5317 22.6156 176.5596 47 G 3.8012 8.6549 106.5331 45.0647 0.0000 172.2150 48 E 3.9428 8.8309 124.1199 56.2281 30.3689 178.1116 49 A 3.9938 8.8551 129.9138 55.6309 18.6687 179.5878 50 G 3.7861 8.2212 101.5116 47.8337 0.0000 175.3187 51 D 4.6514 8.2757 121.5697 57.9177 40.9181 178.5935 52 T 3.6448 7.8118 114.4806 67.6298 68.4307 176.3773 53 V 3.1385 7.3974 118.7003 65.8584 31.9316 178.0441 54 Q 4.0199 7.7091 117.7463 59.1698 28.5315 179.1420 55 F 3.7053 8.5278 121.4297 60.8953 39.3465 176.8848 56 A 3.7464 7.4760 119.9414 55.4243 18.1044 179.5195 57 E 3.9685 8.4246 117.2178 59.4895 29.5447 179.1230 58 Y 4.0552 7.8365 119.5156 60.7201 38.8529 178.1326 59 I 3.3602 7.5149 120.8393 64.1978 37.0609 177.8520 60 Q 3.8447 8.2858 120.5046 59.2790 28.7850 178.1486 61 A 3.9400 8.1345 121.7812 55.5393 18.2822 179.3815 62 N 4.1324 7.7119 114.2039 56.5622 38.6305 177.7775 63 I 3.5155 7.7247 121.1993 64.3581 37.1173 178.5830 64 Q 3.9934 8.3346 119.2423 58.7794 28.5206 178.4598 65 L 3.9184 8.0527 121.4793 58.3232 42.0438 178.3838 66 Y 3.8168 8.2392 119.6766 60.6185 38.6453 178.1573 67 S 4.9117 8.1052 117.3551 61.2621 62.7908 176.7229 68 I 3.6587 7.5739 120.7646 64.5097 36.9811 178.1420 69 R 3.9348 7.8305 117.9773 58.8997 29.9920 177.4501 70 E 4.2061 8.0783 115.3734 54.8605 31.2170 175.0559 71 D 4.4130 8.1732 118.6837 54.2114 40.3929 171.5874 72 Y 4.5216 7.1346 117.8068 56.9834 42.0117 172.0308 73 E 4.7404 8.0182 124.9104 53.8843 30.8271 175.7505 74 L 4.1553 8.5938 126.7023 54.8884 42.4344 178.1189 75 S 4.3709 8.4558 116.6860 57.8009 64.9289 173.7240 76 P 4.2193 0.0000 0.0000 65.6600 31.0363 178.6512 77 Q 3.9227 8.0926 117.7001 59.2057 28.9970 178.2363 78 A 3.9467 7.8607 121.3898 55.1288 18.4392 179.6216 79 V 3.5457 7.8942 117.0603 66.2890 31.5232 178.4120 80 S 4.2164 8.3741 114.1070 61.6741 62.7957 176.6421 81 S 4.1395 8.3226 118.8791 61.0822 62.5194 176.4819 82 F 4.2192 8.3776 123.5448 61.3443 39.1958 177.3466 83 V 3.4785 7.9503 117.9367 65.9034 31.3027 177.9626 84 R 3.8765 8.2544 118.5787 59.4367 29.9807 178.1003 85 Q 3.9600 8.0073 119.3689 59.2830 28.9910 178.2885 86 E 3.9570 7.9981 119.3079 59.5775 29.5361 179.4431 87 L 3.9369 8.1741 118.7236 57.6590 41.4108 179.3468 88 A 3.9911 8.3824 120.2220 55.0083 18.5579 179.6841 89 K 4.0445 8.1266 116.9182 59.7461 32.2439 179.2020 90 S 4.0370 8.0390 113.4115 61.7672 61.9778 176.1516 90A I 3.7282 7.7957 119.7158 63.1550 37.6392 176.4396 90B R 4.4506 7.6080 116.3938 55.6605 30.4032 176.0453 91 S 4.4616 7.6249 114.1903 57.1210 64.4763 174.4595 92 R 3.8290 8.5189 119.8220 58.8547 29.7039 176.5403 93 R 4.3449 7.3993 120.2100 53.3752 30.9905 172.6304 94 P 4.3420 0.0000 0.0000 62.0324 32.0761 176.3418 95 Y 4.1931 8.9391 121.3808 58.5124 38.6251 177.3259 96 Q 4.4698 8.8223 127.2259 54.5336 27.0662 174.6002 97 V 4.8839 7.3627 118.7481 60.9545 35.4167 174.4644 98 N 5.2122 9.4348 124.1752 51.7394 41.6519 173.9955 99 V 5.1640 8.3194 113.9747 59.9323 36.4843 174.2968 100 L 4.8524 8.8486 121.8285 53.0465 44.9636 175.6699 101 I 4.7929 8.6135 123.9247 59.5538 39.6929 175.0086 102 G 4.1514 9.3133 115.8562 44.3862 0.0000 172.1792 103 G 4.6264 8.6384 111.4715 44.8961 0.0000 170.7923 104 Y 4.4925 8.7171 122.5495 55.3506 40.3493 175.2680 105 D 4.3771 7.9982 125.2154 54.4647 41.3934 175.6271 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 M 8.30 4.41 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 1 D 8.46 4.46 0.00 2.80 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.91 4.30 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.93 0.90 0.00 0.00 3 I 8.40 4.80 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.43 0.91 0.00 0.00 4 L 9.05 4.90 0.00 1.53 1.51 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.38 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 0.00 0.00 0.00 0.00 6 I 8.79 4.63 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.41 0.97 0.00 0.00 7 R 8.71 4.71 0.00 1.87 1.85 0.00 3.28 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 8 V 8.11 4.21 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 0.70 0.00 0.00 1.01 0.00 0.00 9 Q 8.78 4.12 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 7.48 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 10 D 7.55 5.14 0.00 2.69 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 11 S 7.58 4.68 0.00 3.97 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 12 V 8.34 4.85 2.12 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 0.86 0.00 0.00 0.97 0.00 0.00 13 I 8.69 4.60 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.70 0.91 0.00 0.00 14 L 8.64 5.28 0.00 1.46 1.52 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.81 4.82 1.20 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 16 S 8.45 5.09 0.00 3.61 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 17 S 8.75 4.20 0.00 3.85 3.89 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 18 K 9.01 4.77 0.00 1.73 1.91 0.00 1.93 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.26 7.81 19 A 7.93 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 20 V 8.75 4.26 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 1.08 0.00 0.00 0.96 0.00 0.00 21 T 8.57 5.03 4.25 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 1.25 0.00 0.00 22 R 8.91 4.41 0.00 1.77 1.84 0.00 3.41 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 23 G 9.18 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 0.00 0.00 0.00 24 I 9.00 4.11 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.78 0.91 0.00 0.00 25 S 7.75 4.69 0.00 3.84 3.69 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 26 V 8.26 4.25 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 0.81 0.00 0.00 0.94 0.00 0.00 27 L 8.74 4.31 0.00 1.66 1.72 0.93 0.72 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 28 K 7.62 4.59 0.00 1.75 1.60 0.00 1.67 0.00 0.00 1.89 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.43 7.81 29 D 8.73 5.01 0.00 2.77 2.68 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 0.00 0.00 0.00 0.00 30 S 7.88 4.76 0.00 3.84 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 31 D 8.44 4.41 0.00 2.79 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 32 D 8.66 4.87 0.00 2.70 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 33 K 7.84 3.95 0.00 1.58 1.40 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.46 7.81 34 T 6.98 4.95 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 1.28 0.00 0.00 35 R 9.04 4.76 0.00 1.85 1.81 0.00 3.39 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.81 0.00 36 Q 8.72 4.45 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.88 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 37 L 8.83 4.16 0.00 1.68 1.69 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.69 4.61 0.00 4.01 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 39 P 0.00 4.81 0.00 1.97 2.19 0.00 3.31 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 1.96 0.00 40 H 9.43 4.93 0.00 3.36 3.49 0.00 5.75 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 41 T 8.34 5.01 4.25 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 1.23 0.00 0.00 42 L 9.24 5.16 0.00 1.70 1.48 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 43 M 9.11 5.39 0.00 2.17 1.90 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.63 0.00 44 S 9.00 5.15 0.00 3.77 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 45 F 7.70 5.66 0.00 3.06 3.13 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 46 A 8.96 4.72 1.27 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 47 G 8.65 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 0.00 0.00 0.00 48 E 8.83 3.94 0.00 2.02 2.02 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 2.38 2.33 0.00 49 A 8.86 3.99 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 50 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 51 D 8.28 4.65 0.00 2.78 3.11 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 0.00 0.00 0.00 0.00 52 T 7.81 3.64 4.43 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 1.22 0.00 0.00 53 V 7.40 3.14 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 1.08 0.00 0.00 0.94 0.00 0.00 54 Q 7.71 4.02 0.00 2.37 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 55 F 8.53 3.71 0.00 1.99 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 56 A 7.48 3.75 1.04 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 0.00 0.00 57 E 8.42 3.97 0.00 1.98 2.02 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 2.33 2.47 0.00 58 Y 7.84 4.06 0.00 3.12 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 59 I 7.51 3.36 1.70 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 -0.11 0.88 0.00 0.00 60 Q 8.29 3.84 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 61 A 8.13 3.94 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 62 N 7.71 4.13 0.00 2.77 2.53 0.00 0.00 7.11 6.96 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 63 I 7.72 3.52 1.88 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.14 0.92 0.00 0.00 64 Q 8.33 3.99 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 65 L 8.05 3.92 0.00 1.78 1.81 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.24 3.82 0.00 2.99 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 67 S 8.11 4.91 0.00 4.17 3.94 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 68 I 7.57 3.66 1.85 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 1.40 0.73 0.89 0.00 0.00 69 R 7.83 3.93 0.00 1.69 1.72 0.00 2.99 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 70 E 8.08 4.21 0.00 1.64 1.92 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 1.91 2.15 0.00 71 D 8.17 4.41 0.00 2.72 2.68 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 0.00 0.00 0.00 0.00 72 Y 7.13 4.52 0.00 3.23 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 73 E 8.02 4.74 0.00 1.91 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 0.00 2.20 2.30 0.00 74 L 8.59 4.16 0.00 1.51 1.46 0.02 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.46 4.37 0.00 4.04 4.03 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 76 P 0.00 4.22 0.00 2.15 2.14 0.00 3.57 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 2.14 2.14 0.00 77 Q 8.09 3.92 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 78 A 7.86 3.95 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 79 V 7.89 3.55 2.23 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 1.07 0.00 0.00 0.89 0.00 0.00 80 S 8.37 4.22 0.00 4.11 4.21 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 0.00 0.00 0.00 0.00 81 S 8.32 4.14 0.00 4.08 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 82 F 8.38 4.22 0.00 2.97 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 83 V 7.95 3.48 2.30 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 1.12 0.00 0.00 1.01 0.00 0.00 84 R 8.25 3.88 0.00 2.04 1.92 0.00 3.17 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 85 Q 8.01 3.96 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 86 E 8.00 3.96 0.00 2.20 2.23 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 1.63 2.01 0.00 87 L 8.17 3.94 0.00 1.67 1.62 0.88 -0.26 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 88 A 8.38 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.13 4.04 0.00 2.03 1.88 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.70 7.81 90 S 8.04 4.04 0.00 4.03 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 90A I 7.80 3.73 1.84 0.00 0.00 0.83 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 0.78 0.93 0.00 0.00 90B R 7.61 4.45 0.00 1.81 1.89 0.00 3.20 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 91 S 7.62 4.46 0.00 3.90 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.52 3.83 0.00 1.74 1.93 0.00 3.14 0.00 0.00 3.12 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 93 R 7.40 4.34 0.00 1.66 1.65 0.00 3.24 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.54 0.00 94 P 0.00 4.34 0.00 2.02 1.94 0.00 3.66 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 1.97 2.25 0.00 95 Y 8.94 4.19 0.00 2.64 2.49 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 0.00 0.00 0.00 0.00 96 Q 8.82 4.47 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 97 V 7.36 4.88 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 0.91 0.00 0.00 0.88 0.00 0.00 98 N 9.43 5.21 0.00 2.73 2.68 0.00 0.00 6.61 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 99 V 8.32 5.16 2.32 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 0.94 0.00 0.00 1.05 0.00 0.00 100 L 8.85 4.85 0.00 1.58 1.54 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 101 I 8.61 4.79 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.67 0.94 0.00 0.00 102 G 9.31 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 0.00 103 G 8.64 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 Y 8.72 4.49 0.00 3.02 2.91 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 0.00 105 D 8.00 4.38 0.00 2.53 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 0.00 0.00 0.00 0.00