NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4697 8.3049 118.1941 54.6588 33.3234 176.7610 2 E 4.0584 7.8557 120.3148 55.7882 26.9537 173.2460 3 A 4.0009 7.9908 123.0660 51.5171 20.1015 177.6180 4 V 3.7827 8.3029 123.8602 62.4341 31.4793 175.8931 5 L 4.3176 8.2779 127.6631 54.3966 42.7083 177.6521 6 N 4.7390 8.3287 118.9880 50.7916 35.8408 174.0710 7 E 4.6973 7.3411 119.0920 55.4821 33.2525 173.4380 8 L 4.0126 8.3393 125.6999 55.8778 41.4840 177.7827 9 V 4.3473 7.8796 121.4319 61.4573 35.0658 174.5053 10 S 4.2541 8.7118 122.5194 58.0744 63.5931 175.2680 11 V 3.6244 8.6404 122.6616 66.3416 30.8715 178.3206 12 E 3.9560 8.0978 117.8259 59.4625 28.9794 178.5086 13 D 4.3635 8.1109 118.1109 57.0840 40.8936 178.1059 14 L 3.7800 7.7322 120.3938 58.2612 42.2330 178.8418 15 L 4.1050 8.2755 119.1522 57.0856 41.2721 179.0536 16 K 3.8909 8.6559 120.4867 59.9901 32.1064 178.8397 17 F 4.0268 8.1243 116.6905 60.0898 38.7609 177.4100 18 E 3.9784 8.0842 119.1516 58.8495 29.3264 178.7003 19 K 3.8903 8.7509 119.4153 59.3887 32.1156 178.9458 20 K 3.8210 7.6027 118.1902 59.6602 32.1687 178.3568 21 F 4.0401 8.0085 120.3582 61.2927 39.0017 177.0136 22 Q 3.8485 8.2125 119.0639 59.2089 28.7672 178.0633 23 S 4.0495 7.8931 114.7689 61.6305 63.2184 176.2666 24 E 3.9980 8.3007 121.4050 59.4202 29.1635 179.3557 25 K 3.8311 7.8269 120.4860 58.7531 31.8714 178.3436 26 A 3.7210 8.1383 120.2781 55.2364 18.3484 179.1890 27 A 4.0727 7.5370 117.6895 53.6813 18.3995 178.4969 28 G 3.9172 9.9789 106.5143 45.0488 0.0000 173.0765 29 S 4.5067 7.3185 112.2055 56.8605 65.3125 172.9907 30 V 4.2491 7.8472 123.2649 59.9416 34.2581 175.8844 31 S 4.3415 8.4940 122.4990 58.1425 64.8887 175.4046 32 K 3.8992 8.7943 123.9929 59.5182 31.8093 179.2853 33 S 4.3750 8.3060 113.1244 62.0795 62.2114 176.3753 34 T 4.1844 7.7666 117.0726 66.7047 67.8667 176.4519 35 Q 4.0901 8.0496 121.0857 59.2121 28.8306 178.6515 36 F 4.1287 8.5329 119.0725 60.7184 38.6115 177.5449 37 E 4.3491 8.6658 117.2693 58.6953 28.8286 178.5307 38 Y 4.2402 8.5386 120.4678 60.2796 38.7431 177.1885 39 A 3.6720 7.7569 121.6324 54.3462 18.4777 179.1873 40 W 4.3229 7.7419 127.0109 61.0531 30.5183 177.7758 41 C 2.8011 6.3526 113.7909 62.4534 27.6795 176.0538 42 L 3.8938 6.9023 119.6159 57.5518 41.1027 179.4470 43 V 3.8423 8.3077 117.9629 64.9363 31.3133 176.5338 44 R 4.6364 7.3265 116.5027 55.7944 30.5056 176.2782 45 S 4.4415 8.2473 112.9792 57.5114 64.0330 174.6847 46 K 3.8756 8.4263 121.1927 57.5257 32.3268 176.0863 47 Y 4.6497 6.9843 115.7626 56.9729 40.1588 176.2399 48 N 4.4803 8.8698 121.8177 56.5767 38.8585 177.3727 49 D 4.5227 8.2855 120.0271 56.9521 39.0615 178.4297 50 D 4.3377 7.9982 120.0025 56.9990 40.6909 178.7288 51 I 3.7499 8.1119 121.0087 64.2085 36.7031 178.3519 52 R 3.9505 8.0011 118.4335 59.0569 29.7104 178.7091 53 K 4.0841 7.9406 118.9851 59.0757 32.2211 179.1185 54 G 3.4654 8.0249 105.9813 47.6189 0.0000 175.8487 55 I 3.7435 8.3655 122.4923 64.1238 37.1248 178.6196 56 V 3.5551 7.4406 118.2842 65.8427 30.8541 177.7214 57 L 3.9112 8.0856 119.1583 58.1604 41.4792 179.7831 58 L 3.8884 7.6336 118.4217 57.5832 41.3552 178.8242 59 E 3.9725 8.2210 118.6621 59.7900 29.5498 178.6923 60 E 4.1538 8.1731 117.1362 59.0788 29.8164 178.8945 61 L 4.0918 7.4818 118.4191 57.1249 41.5174 179.0203 62 L 4.3202 8.2327 119.6938 57.6831 41.5013 177.8725 63 P 4.3682 0.0000 0.0000 65.6443 31.1589 177.6835 64 K 4.3745 8.0958 116.5613 56.4785 32.5142 176.9345 65 G 4.4226 7.5992 108.3902 43.9537 0.0000 175.6632 66 S 4.5143 10.1089 117.0088 57.9765 65.5432 175.1273 67 K 4.0703 8.5502 120.2924 60.1385 31.3376 179.2490 68 E 3.8863 8.0020 118.3992 59.5666 29.6009 178.9335 69 E 3.6111 8.1211 117.9538 59.3897 29.2392 179.4659 70 Q 4.0320 7.7144 117.9626 58.8909 28.5933 178.4565 71 R 3.6799 7.4475 117.8007 59.4428 30.1836 178.6495 72 D 4.4177 7.3833 117.4251 57.6777 40.9727 178.4447 73 Y 4.6736 6.8590 116.7647 61.1787 37.9607 178.7537 74 V 3.6809 9.0182 120.5279 65.9872 31.0756 177.7856 75 F 3.9275 8.0279 120.3940 61.6135 39.1164 176.8046 76 Y 4.1048 8.1795 115.8229 60.8432 37.6841 178.0618 77 L 3.8268 8.0644 119.8713 57.7789 41.6679 179.4410 78 A 3.9649 7.6759 120.2582 55.0693 17.7634 179.8745 79 V 3.7323 7.3016 116.2214 65.8454 31.4067 178.6439 80 G 3.5935 8.3751 105.8819 47.9162 0.0000 175.5542 81 N 4.3823 8.2346 118.0876 55.6496 38.6382 176.5799 82 Y 4.3664 7.8315 120.8838 60.7783 39.0776 178.1875 83 R 3.6450 7.5878 116.3158 58.6733 29.1692 179.0493 84 L 4.1764 7.4537 119.3190 54.2150 41.4713 179.6878 85 K 3.5407 8.3935 127.6101 57.4688 32.7539 174.1057 86 E 3.9343 8.7736 119.7044 57.1827 28.9656 177.0921 87 Y 4.3321 8.3052 122.1961 60.5444 38.4409 177.2984 88 E 3.9839 8.2185 119.8312 59.0008 29.4010 178.3024 89 K 3.8897 8.2025 119.0558 59.8405 32.1846 178.4547 90 A 4.2600 7.6963 120.5742 54.9174 18.2659 179.2665 91 L 3.9691 8.0188 118.9190 57.8418 42.2248 179.2227 92 K 4.0157 8.0927 118.8474 59.3445 32.1290 178.8767 93 Y 4.0823 7.7591 116.7370 60.8705 37.6367 178.4914 94 V 3.7395 8.0057 119.5080 64.4472 32.0147 178.3483 95 R 4.1142 8.1555 119.6016 59.3292 29.9049 178.7971 96 G 3.6383 7.9723 105.0661 47.5109 0.0000 175.2836 97 L 4.0224 7.8765 122.2293 58.2071 41.5669 179.1347 98 L 4.1186 7.8136 118.4198 57.6429 41.3999 179.1340 99 Q 4.1038 7.6234 117.6089 58.5745 28.6008 178.6521 100 T 4.4240 7.2439 108.4682 62.5665 71.1983 175.3571 101 E 4.6436 8.0992 122.7092 52.9498 29.8020 174.5147 102 P 4.3208 0.0000 0.0000 65.2500 31.9647 177.7784 103 Q 4.1146 7.9524 114.2489 56.6292 28.3211 175.7516 104 N 4.6186 8.0315 117.9187 52.5267 38.1983 175.7302 105 N 4.3764 8.7330 122.3842 56.3662 38.3857 177.4198 106 Q 4.2557 8.4221 120.0020 58.2795 28.6087 178.6560 107 A 4.1815 8.0043 121.1349 54.3915 18.6519 179.7840 108 K 3.9174 7.6471 117.0735 59.6077 31.7623 179.2308 109 E 3.9509 8.3332 118.1204 59.4746 29.3017 178.9265 110 L 3.7647 7.5931 120.5530 57.7963 42.0640 178.4759 111 E 3.9045 7.8362 119.2848 59.2141 28.9212 179.1369 112 R 3.8624 7.6672 117.6237 59.1212 30.0901 178.8232 113 L 4.0775 7.4867 118.5257 57.9052 41.5213 179.5526 114 I 4.0708 7.4961 119.4250 64.7792 36.9153 178.1254 115 D 4.2759 8.1998 117.6405 57.0732 41.0616 177.8257 116 K 4.0218 9.3410 120.6960 59.1123 32.1192 178.5930 117 A 3.8921 8.5735 121.9530 55.5501 18.0636 179.2464 118 M 3.6423 6.8914 115.6052 58.7662 32.2115 179.0577 119 K 4.0992 7.7198 117.8451 58.8494 32.0697 179.2419 120 K 3.9138 8.0082 120.6260 59.4363 32.0357 177.8710 121 D 4.6543 7.8984 114.6435 55.2333 41.2315 176.8123 122 G 4.1287 7.4539 103.1596 42.9515 0.0000 171.4853 123 L 3.4153 7.9204 123.3846 54.5618 40.6210 175.2989 124 V 3.9196 8.0342 125.1670 62.5730 32.6149 175.3959 125 G 4.0048 8.5291 104.9374 47.4905 0.0000 176.4060 126 M 2.9101 7.8325 125.6529 55.8821 31.8339 180.6381 127 A 4.1858 8.7827 129.3871 52.9024 18.8510 177.3988 128 I 4.6623 8.0513 122.4232 59.7405 40.9004 176.4166 129 V 4.2380 7.8561 120.5682 62.0179 31.9907 175.3635 130 G 4.0961 8.6267 114.0557 44.0731 0.0000 171.4166 131 G 3.8984 6.9882 104.9823 46.3077 0.0000 172.3528 132 M 3.9740 8.6976 118.0917 58.4265 32.4397 176.3576 133 A 4.5172 7.1730 117.4533 51.5822 22.3121 175.4294 134 L 4.4203 8.2504 119.7677 54.9204 42.4958 176.3873 135 G 4.1785 8.1292 109.6185 45.0876 0.0000 173.4902 136 V 3.6630 8.1803 119.2936 63.1893 29.2575 175.7159 137 A 3.5916 7.7434 122.4176 53.2133 16.1068 177.4581 138 G 4.3257 7.7496 105.7205 45.9003 0.0000 171.6140 139 L 3.9179 8.3627 124.9802 56.6909 41.6194 178.5025 140 A 3.7895 9.2873 129.8185 51.9011 18.3188 179.8360 141 G 4.0581 8.9807 104.1696 44.9364 0.0000 173.7292 142 L 4.5988 7.3738 117.0118 55.0782 40.6789 176.6775 143 I 4.3765 7.4181 118.5585 62.6051 43.9028 174.6577 144 G 3.9568 7.8405 108.5328 44.3975 0.0000 172.9004 145 L 4.3216 8.0391 119.5942 55.4784 41.3418 173.8937 146 E 4.5732 8.1103 114.9311 55.9052 32.0113 173.5385 147 H 3.9829 9.2129 115.1365 57.2015 28.9788 174.7022 148 H 4.3699 8.9319 121.5444 55.8137 28.4283 176.2633 149 H 4.6052 8.5994 123.6205 54.8394 26.0155 172.8976 150 H 4.5632 7.7453 115.3292 55.4351 33.0788 174.7529 151 H 4.4278 8.8676 127.2788 55.9903 28.6831 175.2451 152 H 4.3246 8.4923 120.1220 57.4983 29.5146 173.2769 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 4.47 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 2 E 7.86 4.06 0.00 2.06 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 2.31 2.36 0.00 3 A 7.99 4.00 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 4 V 8.30 3.78 2.11 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 0.83 0.00 0.00 0.96 0.00 0.00 5 L 8.28 4.32 0.00 1.71 1.61 0.96 1.17 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 6 N 8.33 4.74 0.00 2.84 2.87 0.00 0.00 5.81 7.67 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 7 E 7.34 4.70 0.00 1.92 1.83 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 2.21 2.31 0.00 8 L 8.34 4.01 0.00 1.66 1.48 0.86 0.82 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 9 V 7.88 4.35 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 0.70 0.00 0.00 0.94 0.00 0.00 10 S 8.71 4.25 0.00 4.07 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 0.00 11 V 8.64 3.62 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 1.12 0.00 0.00 0.97 0.00 0.00 12 E 8.10 3.96 0.00 2.05 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 2.42 2.33 0.00 13 D 8.11 4.36 0.00 2.81 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 14 L 7.73 3.78 0.00 1.70 1.59 0.88 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.28 4.10 0.00 1.79 1.72 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.66 3.89 0.00 1.90 2.13 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.19 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.28 1.43 7.81 17 F 8.12 4.03 0.00 3.19 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 18 E 8.08 3.98 0.00 2.37 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 2.29 2.20 0.00 19 K 8.75 3.89 0.00 1.92 1.84 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.64 1.61 7.81 20 K 7.60 3.82 0.00 1.78 1.83 0.00 1.51 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.38 7.81 21 F 8.01 4.04 0.00 2.83 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 22 Q 8.21 3.85 0.00 2.36 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.55 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 23 S 7.89 4.05 0.00 3.82 3.87 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 24 E 8.30 4.00 0.00 1.75 1.87 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 2.28 2.40 0.00 25 K 7.83 3.83 0.00 1.01 1.57 0.00 1.40 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.27 1.06 7.81 26 A 8.14 3.72 1.33 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 0.00 0.00 0.00 0.00 0.00 27 A 7.54 4.07 1.31 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 0.00 0.00 28 G 9.98 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 0.00 0.00 0.00 29 S 7.32 4.51 0.00 3.77 3.59 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 30 V 7.85 4.25 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 0.93 0.00 0.00 0.28 0.00 0.00 31 S 8.49 4.34 0.00 4.14 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 32 K 8.79 3.90 0.00 2.00 2.02 0.00 1.75 0.00 0.00 1.86 0.00 0.00 3.17 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.52 1.54 7.81 33 S 8.31 4.37 0.00 4.02 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 T 7.77 4.18 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 35 Q 8.05 4.09 0.00 2.17 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.93 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 36 F 8.53 4.13 0.00 3.32 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 37 E 8.67 4.35 0.00 2.36 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 2.73 2.74 0.00 38 Y 8.54 4.24 0.00 3.18 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 39 A 7.76 3.67 1.33 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 0.00 0.00 0.00 0.00 0.00 40 W 7.74 4.32 0.00 3.02 3.08 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 41 C 6.35 2.80 0.00 2.50 2.43 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 42 L 6.90 3.89 0.00 1.42 1.68 -0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.31 3.84 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 1.00 0.00 0.00 0.91 0.00 0.00 44 R 7.33 4.64 0.00 1.76 1.93 0.00 3.40 0.00 0.00 3.60 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 45 S 8.25 4.44 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 46 K 8.43 3.88 0.00 1.57 1.37 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.03 1.27 7.81 47 Y 6.98 4.65 0.00 3.11 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 48 N 8.87 4.48 0.00 2.74 2.84 0.00 0.00 6.82 8.04 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 49 D 8.29 4.52 0.00 2.91 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 50 D 8.00 4.34 0.00 2.87 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 51 I 8.11 3.75 1.95 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 1.74 0.88 0.88 0.00 0.00 52 R 8.00 3.95 0.00 1.97 1.97 0.00 3.10 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 53 K 7.94 4.08 0.00 1.76 1.83 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.40 7.81 54 G 8.02 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.37 3.74 1.91 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 1.36 0.75 0.89 0.00 0.00 56 V 7.44 3.56 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 1.11 0.00 0.00 0.96 0.00 0.00 57 L 8.09 3.91 0.00 1.80 1.64 0.89 0.62 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 58 L 7.63 3.89 0.00 1.64 1.78 1.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.22 3.97 0.00 2.18 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 0.00 2.45 2.49 0.00 60 E 8.17 4.15 0.00 1.94 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 2.51 2.48 0.00 61 L 7.48 4.09 0.00 1.56 1.28 -0.06 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.23 4.32 0.00 2.05 1.92 1.16 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.37 0.00 2.27 2.25 0.00 3.83 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 64 K 8.10 4.37 0.00 1.98 1.96 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.63 7.81 65 G 7.60 4.42 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 0.00 66 S 10.11 4.51 0.00 3.91 3.87 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 67 K 8.55 4.07 0.00 1.77 1.86 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.48 7.81 68 E 8.00 3.89 0.00 1.96 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 2.37 2.37 0.00 69 E 8.12 3.61 0.00 2.13 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 2.36 2.39 0.00 70 Q 7.71 4.03 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.62 2.65 0.00 71 R 7.45 3.68 0.00 1.92 1.97 0.00 3.34 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 72 D 7.38 4.42 0.00 2.36 2.65 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 73 Y 6.86 4.67 0.00 3.19 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 74 V 9.02 3.68 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 1.19 0.00 0.00 1.17 0.00 0.00 75 F 8.03 3.93 0.00 3.06 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 76 Y 8.18 4.10 0.00 3.36 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 77 L 8.06 3.83 0.00 1.28 0.74 0.69 0.67 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 78 A 7.68 3.96 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 79 V 7.30 3.73 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 1.07 0.00 0.00 0.57 0.00 0.00 80 G 8.38 3.59 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 0.00 0.00 0.00 81 N 8.23 4.38 0.00 2.84 2.92 0.00 0.00 7.05 8.04 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 82 Y 7.83 4.37 0.00 2.96 3.21 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 83 R 7.59 3.65 0.00 1.94 2.00 0.00 2.81 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.59 0.00 84 L 7.45 4.18 0.00 1.59 1.77 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.39 3.54 0.00 1.66 1.75 0.00 1.79 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.25 1.33 7.81 86 E 8.77 3.93 0.00 2.17 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 2.31 2.33 0.00 87 Y 8.31 4.33 0.00 3.11 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 88 E 8.22 3.98 0.00 2.07 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 2.42 2.34 0.00 89 K 8.20 3.89 0.00 1.92 1.88 0.00 1.83 0.00 0.00 2.13 0.00 0.00 3.13 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.76 1.64 7.81 90 A 7.70 4.26 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 91 L 8.02 3.97 0.00 2.10 2.05 0.94 0.55 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 92 K 8.09 4.02 0.00 1.82 1.62 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.45 1.84 7.81 93 Y 7.76 4.08 0.00 3.21 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 94 V 8.01 3.74 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 0.78 0.00 0.00 0.88 0.00 0.00 95 R 8.16 4.11 0.00 2.07 1.93 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 96 G 7.97 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 0.00 0.00 0.00 97 L 7.88 4.02 0.00 1.99 1.88 0.99 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.81 4.12 0.00 1.88 1.70 0.92 0.92 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 99 Q 7.62 4.10 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 100 T 7.24 4.42 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 1.28 0.00 0.00 101 E 8.10 4.64 0.00 1.99 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 2.20 2.23 0.00 102 P 0.00 4.32 0.00 2.03 2.11 0.00 3.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 103 Q 7.95 4.11 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.10 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 104 N 8.03 4.62 0.00 2.99 2.80 0.00 0.00 7.01 7.08 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 0.00 105 N 8.73 4.38 0.00 2.75 2.85 0.00 0.00 7.11 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 0.00 106 Q 8.42 4.26 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.18 0.00 107 A 8.00 4.18 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 0.00 108 K 7.65 3.92 0.00 1.99 1.85 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.65 7.81 109 E 8.33 3.95 0.00 2.16 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 0.00 2.50 2.30 0.00 110 L 7.59 3.76 0.00 1.78 1.68 0.59 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 111 E 7.84 3.90 0.00 1.99 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 0.00 2.29 2.34 0.00 112 R 7.67 3.86 0.00 2.03 1.93 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 113 L 7.49 4.08 0.00 1.32 1.71 0.81 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.50 4.07 2.01 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 1.50 0.55 1.14 0.00 0.00 115 D 8.20 4.28 0.00 2.60 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 0.00 116 K 9.34 4.02 0.00 1.86 1.79 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.42 7.81 117 A 8.57 3.89 0.98 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 0.00 118 M 6.89 3.64 0.00 1.86 2.19 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 2.64 2.33 0.00 119 K 7.72 4.10 0.00 1.87 1.82 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.56 7.81 120 K 8.01 3.91 0.00 1.86 1.86 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.43 7.81 121 D 7.90 4.65 0.00 2.69 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 0.00 122 G 7.45 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 0.00 0.00 0.00 123 L 7.92 3.42 0.00 1.75 1.69 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.03 3.92 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 0.75 0.00 0.00 0.96 0.00 0.00 125 G 8.53 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 0.00 0.00 0.00 126 M 7.83 2.91 0.00 2.10 1.11 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 2.52 2.57 0.00 127 A 8.78 4.19 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 0.00 128 I 8.05 4.66 1.87 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 1.29 0.93 0.97 0.00 0.00 129 V 7.86 4.24 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 0.92 0.00 0.00 0.93 0.00 0.00 130 G 8.63 4.10 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 0.00 0.00 0.00 131 G 6.99 3.90 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 0.00 132 M 8.70 3.97 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 133 A 7.17 4.52 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 0.00 134 L 8.25 4.42 0.00 1.65 1.59 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 135 G 8.13 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 0.00 0.00 0.00 0.00 136 V 8.18 3.66 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 0.80 0.00 0.00 0.93 0.00 0.00 137 A 7.74 3.59 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 0.00 138 G 7.75 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 139 L 8.36 3.92 0.00 1.65 1.48 0.92 0.89 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 0.00 140 A 9.29 3.79 1.21 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 0.00 0.00 141 G 8.98 4.06 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 0.00 142 L 7.37 4.60 0.00 1.78 1.76 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 143 I 7.42 4.38 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 1.35 0.43 0.91 0.00 0.00 144 G 7.84 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 0.00 0.00 0.00 145 L 8.04 4.32 0.00 1.69 1.69 0.85 0.49 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 0.00 146 E 8.11 4.57 0.00 2.10 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 2.12 2.29 0.00 147 H 9.21 3.98 0.00 3.18 3.42 0.00 5.89 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 H 8.93 4.37 0.00 3.19 3.35 0.00 5.70 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 H 8.60 4.61 0.00 3.14 3.29 0.00 5.75 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 H 7.75 4.56 0.00 3.03 3.19 0.00 5.93 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 H 8.87 4.43 0.00 3.03 3.14 0.00 5.98 0.00 0.00 0.00 0.00 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 H 8.49 4.32 0.00 3.11 3.10 0.00 5.73 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