NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2284 8.3044 120.3267 56.0311 33.3473 174.6432 2 L 3.8656 8.6791 123.8524 53.8480 42.0984 171.6289 3 Q 4.2609 8.7672 123.7938 54.6778 31.0036 171.3743 4 P 4.2321 0.0000 0.0000 63.0360 31.8286 176.8669 5 K 4.0332 8.5732 121.9923 59.1290 32.2529 176.9477 6 R 4.6928 7.3683 115.7604 55.2255 32.5178 173.5305 7 T 4.7214 7.8888 109.6426 60.1752 71.4517 174.9415 8 K 3.8672 8.5073 122.2115 58.2497 32.5086 177.1749 9 F 5.0620 7.2922 116.6961 55.5569 43.0361 174.8005 10 R 4.2185 8.9636 123.7438 58.5175 30.2870 177.0723 11 K 4.5985 7.8752 114.8856 54.6368 35.4855 175.1624 12 M 4.6231 8.1445 121.5431 53.4276 33.7684 174.8247 13 H 4.0781 8.1243 117.0626 56.2718 29.4661 176.7659 14 K 5.0306 9.1456 134.2426 58.4471 31.8354 176.6821 15 G 3.8370 6.6270 104.4238 45.1894 0.0000 172.5042 16 R 4.7339 8.2077 125.9203 54.6320 34.3939 173.9060 17 N 5.0448 8.2679 112.6723 52.9308 38.8197 174.3604 18 R 4.2304 7.6868 117.3775 56.5309 31.8638 177.7439 19 G 4.0064 8.6455 105.9625 45.1627 0.0000 173.2103 20 L 4.2120 7.8945 118.3367 53.6140 42.4434 176.9174 21 A 4.3220 8.1863 124.2922 52.5923 19.1875 177.2661 22 Q 4.4250 8.5325 116.0285 57.7164 30.8392 178.1270 23 G 3.8183 7.8124 109.9144 45.7203 0.0000 173.1816 24 T 4.5947 8.2712 117.1343 61.0591 68.3683 174.1143 25 D 4.6053 7.6717 118.9227 51.9833 42.2313 174.8851 26 V 3.7384 8.4134 121.8472 63.9748 31.4362 176.0255 27 S 4.4496 8.7228 122.4617 57.6658 63.3690 174.4532 28 F 4.1399 8.7970 118.8154 59.5492 44.2727 175.5223 29 G 4.0086 7.1600 113.3579 45.7077 0.0000 173.3192 30 S 4.4031 8.9521 114.0219 58.7778 65.7603 174.5026 31 F 5.1229 8.0978 116.2846 55.8298 43.4141 174.2078 32 G 4.1149 8.8844 107.2124 45.2671 0.0000 171.5021 33 L 4.6201 8.2689 121.9643 52.8116 43.3263 175.4289 34 K 4.7000 8.8597 127.8160 55.3222 34.3020 179.3178 35 A 4.2507 9.0381 128.1937 51.4610 19.0894 179.5934 36 V 3.6646 9.4663 121.4375 63.7699 29.9855 169.5921 37 G 4.2311 7.6341 106.1848 43.1571 0.0000 172.3066 38 R 4.2410 8.3179 120.8772 55.4284 31.2417 176.9554 39 G 4.0321 6.6224 108.5156 44.1894 0.0000 171.8229 40 R 5.0012 7.8668 116.0144 54.5295 32.1839 174.4314 41 L 4.8276 8.3273 123.0106 53.9084 43.0312 177.0337 42 T 4.9120 8.6361 111.0860 60.5414 69.1504 174.4728 43 A 3.9497 8.2459 128.4129 54.9059 17.6043 180.7886 44 R 4.1917 7.7705 113.1331 59.3839 30.0668 179.0399 45 Q 4.0485 7.9757 117.8659 58.5341 29.1054 177.8406 46 I 4.5921 7.7788 114.8780 63.7473 37.1727 177.7906 47 E 3.9096 8.9710 120.1132 59.2582 29.3229 178.7659 48 A 3.9397 8.3224 121.0207 55.5497 18.3662 179.2908 49 A 3.8690 8.8270 119.3080 55.1313 18.4429 179.6920 50 R 3.7296 8.6270 116.8668 59.5929 30.4321 178.7183 51 R 3.8492 8.4557 117.7501 59.2274 29.8982 178.6534 52 A 3.9559 7.4079 118.8837 55.7531 18.3981 178.7112 53 M 3.8968 7.9543 115.1629 59.0726 32.4922 178.2079 54 T 3.6961 8.5535 112.4262 66.0775 69.1474 172.6227 55 R 4.0724 5.9522 130.6438 56.1000 30.2039 175.1313 56 A 4.7538 7.8477 134.1955 53.0186 19.7680 178.2446 57 V 4.0389 8.0170 106.0897 60.6813 33.1656 178.2405 58 K 3.5517 7.6630 120.3159 57.4230 30.5765 176.5111 59 R 3.8987 8.3763 127.2476 59.2326 30.2225 176.3617 60 Q 3.9249 7.6692 117.0390 57.1706 28.9915 177.2155 61 G 3.9707 8.7990 104.3850 44.9795 0.0000 171.6826 62 K 4.6135 8.1355 118.1871 54.5462 36.3298 174.5108 63 I 5.1703 7.4701 121.8840 59.4977 41.1012 174.7546 64 W 4.7476 9.9005 126.3116 54.8801 32.4375 174.8111 65 I 4.6835 8.2802 123.5532 59.7130 38.2538 175.8136 66 R 4.0945 9.4409 128.3538 58.6001 30.4826 178.0895 67 V 4.1915 7.4624 110.5601 60.2735 33.1291 175.3337 68 F 4.5279 8.5698 123.3115 56.9552 42.0199 171.7192 69 P 3.5563 0.0000 0.0000 62.4207 31.5431 177.3725 70 D 4.8264 9.0429 125.2760 53.9794 40.2586 174.2228 71 K 4.5873 8.0987 122.1478 53.9750 32.9555 173.9662 72 P 2.9700 0.0000 0.0000 64.3202 31.6508 173.7961 73 I 2.9196 7.0592 127.3102 61.4143 33.2617 172.8671 74 T 4.7716 7.5372 113.7444 60.5098 71.0177 174.3158 75 E 4.5240 8.3809 123.4687 54.8273 32.5290 174.3838 76 K 4.3126 8.6792 128.9583 53.9462 33.1332 175.4158 77 P 4.7867 0.0000 0.0000 62.3328 31.7733 176.0370 78 L 4.2431 8.7839 127.4402 56.4231 43.0268 177.0173 79 A 4.1485 8.9572 117.3740 53.1180 19.0552 179.0159 80 V 3.8311 7.7747 117.7467 61.4572 32.3191 177.5655 81 R 4.1765 8.2525 122.1792 56.4344 31.1662 174.6797 82 M 4.5425 8.5847 116.3058 55.1120 33.8887 175.2029 83 G 4.1192 8.8671 110.4975 45.8211 0.0000 174.7817 84 K 4.2175 7.4721 118.9368 55.8555 29.7043 177.3885 85 G 4.0844 7.7735 104.2943 45.2951 0.0000 171.6476 86 K 4.0385 8.2111 121.1190 55.5500 32.8406 176.9922 87 G 3.9321 8.3668 111.8216 46.7307 0.0000 171.8660 88 N 4.9876 8.4368 116.0014 51.5900 40.9033 175.2517 89 V 3.6936 8.2281 122.1392 63.2045 31.4797 175.0123 90 E 4.7407 8.3935 128.6991 57.2870 31.7656 175.0520 91 Y 4.9453 6.7513 111.1680 55.9590 41.2527 173.8809 92 W 5.0036 9.0443 120.5560 55.0541 31.7397 175.4906 93 V 4.9073 9.0985 123.9296 59.8143 34.5381 174.5789 94 A 5.1937 8.6593 123.4928 48.9344 21.1802 175.7802 95 L 4.2827 8.7817 122.4342 55.7459 42.5385 177.1376 96 I 4.8421 9.2109 115.7549 59.1895 41.4196 174.1654 97 Q 4.7347 8.4358 121.4699 53.2740 32.5999 172.8460 98 P 4.4049 0.0000 0.0000 64.2542 31.5558 177.8559 99 G 4.0222 9.0139 110.4538 44.7232 0.0000 173.1502 100 K 4.4081 7.8502 120.4680 56.3797 33.2333 176.7009 101 V 4.1859 8.2731 125.6006 60.8591 31.4284 176.2671 102 L 4.0263 9.0404 126.8135 57.3011 42.0658 176.7757 103 Y 5.4476 7.9235 114.9951 56.3152 42.4187 173.8964 104 E 5.6045 9.6588 119.9256 55.3148 34.2627 174.4798 105 M 5.2258 10.1866 121.9761 54.5798 35.7774 172.7866 106 D 5.0073 9.3681 120.4317 54.0188 42.9843 177.0341 107 G 4.0532 7.6140 108.1084 43.2581 0.0000 172.3559 108 V 4.5078 7.1616 116.5064 59.8626 35.2171 171.9878 109 P 4.4280 0.0000 0.0000 63.3914 32.6712 177.3934 110 E 3.0413 8.6504 121.7745 59.0525 29.5881 179.0991 111 E 3.6960 8.1149 118.6285 59.4005 29.6149 178.8370 112 L 3.7820 7.7569 119.1117 58.1534 42.2089 178.3454 113 A 3.6172 7.6181 120.5659 55.2195 18.1795 179.6418 114 R 3.5538 7.5113 116.2326 59.4763 29.8110 178.6701 115 E 3.8272 8.0403 117.8955 59.7531 29.3793 179.3668 116 A 3.9163 8.5612 121.1684 55.2780 18.3901 179.7614 117 F 4.4811 8.6616 116.5618 60.7248 38.8460 177.6098 118 K 3.8951 8.4114 118.5586 59.5815 31.5346 178.3082 119 L 4.1919 7.7394 118.6376 57.4675 41.6848 179.0640 120 A 4.0619 7.9001 120.2646 54.7272 18.2175 179.4980 121 A 3.9814 8.2572 119.6711 55.3881 18.2304 179.7118 122 A 4.0418 7.5535 117.1401 54.9155 18.5288 179.5754 123 K 4.0952 7.7462 115.8464 57.5273 32.4695 177.3009 124 L 4.5982 7.1141 119.3737 53.0079 42.8627 174.9368 125 P 4.5963 0.0000 0.0000 63.2013 32.2113 175.8249 126 I 4.5557 7.3638 112.2025 58.2719 39.8776 175.1361 127 K 4.0540 8.6865 122.2615 57.7903 32.6170 175.6228 128 T 5.6348 8.1066 111.8999 59.9859 72.5064 172.1797 129 T 4.6550 8.3497 113.4831 61.0579 71.1689 172.2932 130 F 4.8714 8.8512 129.0448 58.0328 40.5179 175.0438 131 V 4.5606 7.9071 117.8560 60.0141 35.8336 174.9888 132 T 4.7076 8.3954 119.9684 61.5868 70.8123 173.9462 133 K 3.5698 7.8917 122.3967 58.9348 31.6204 174.8513 134 T 3.6113 7.8738 118.7068 63.6008 68.2392 172.4686 135 V 3.7079 8.3366 125.3857 65.6390 32.0123 175.4106 136 M 4.2842 7.6252 122.3886 55.7478 32.2798 174.0150 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 4.23 0.00 2.00 2.06 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 2.50 2.48 0.00 2 L 8.68 3.87 0.00 1.57 1.70 0.83 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 8.77 4.26 0.00 1.14 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.61 0.00 0.00 0.00 0.00 0.00 1.91 1.98 0.00 4 P 0.00 4.23 0.00 1.73 1.90 0.00 2.26 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.17 0.00 5 K 8.57 4.03 0.00 1.69 1.83 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.38 7.81 6 R 7.37 4.69 0.00 1.66 1.68 0.00 3.19 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 7 T 7.89 4.72 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 1.31 0.00 0.00 8 K 8.51 3.87 0.00 1.56 1.29 0.00 1.46 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.30 7.81 9 F 7.29 5.06 0.00 3.23 2.83 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 10 R 8.96 4.22 0.00 1.86 2.01 0.00 3.41 0.00 0.00 3.31 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 11 K 7.88 4.60 0.00 1.70 1.58 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.41 7.81 12 M 8.14 4.62 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 13 H 8.12 4.08 0.00 3.08 3.17 0.00 5.85 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 9.15 5.03 0.00 1.79 1.89 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.17 1.13 7.81 15 G 6.63 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 0.00 0.00 0.00 16 R 8.21 4.73 0.00 1.76 1.84 0.00 3.31 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 17 N 8.27 5.04 0.00 2.61 2.69 0.00 0.00 6.88 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 18 R 7.69 4.23 0.00 1.84 1.84 0.00 3.23 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 19 G 8.65 4.01 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 0.00 0.00 0.00 20 L 7.89 4.21 0.00 1.65 1.61 0.92 0.79 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 21 A 8.19 4.32 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 22 Q 8.53 4.43 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.32 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 23 G 7.81 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.27 4.59 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 25 D 7.67 4.61 0.00 2.70 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 26 V 8.41 3.74 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 0.79 0.00 0.00 0.85 0.00 0.00 27 S 8.72 4.45 0.00 3.40 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 28 F 8.80 4.14 0.00 1.81 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.16 4.01 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 0.00 0.00 0.00 30 S 8.95 4.40 0.00 3.06 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.10 5.12 0.00 3.33 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 32 G 8.88 4.11 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 0.00 0.00 0.00 33 L 8.27 4.62 0.00 0.83 1.44 0.99 0.58 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 34 K 8.86 4.70 0.00 1.81 1.61 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.62 7.81 35 A 9.04 4.25 1.16 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 0.00 0.00 36 V 9.47 3.66 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 0.77 0.00 0.00 0.94 0.00 0.00 37 G 7.63 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 0.00 0.00 0.00 0.00 38 R 8.32 4.24 0.00 1.80 1.85 0.00 3.28 0.00 0.00 3.56 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 39 G 6.62 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 0.00 0.00 0.00 40 R 7.87 5.00 0.00 1.92 1.91 0.00 3.09 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 41 L 8.33 4.83 0.00 1.73 1.65 0.95 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.64 4.91 4.31 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 1.34 0.00 0.00 43 A 8.25 3.95 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.77 4.19 0.00 1.84 2.00 0.00 3.07 0.00 0.00 3.32 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 45 Q 7.98 4.05 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 46 I 7.78 4.59 1.91 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 1.59 0.72 0.90 0.00 0.00 47 E 8.97 3.91 0.00 2.15 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 2.42 2.46 0.00 48 A 8.32 3.94 1.40 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 0.00 0.00 49 A 8.83 3.87 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 50 R 8.63 3.73 0.00 2.17 2.17 0.00 3.14 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 51 R 8.46 3.85 0.00 1.93 1.95 0.00 3.35 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 52 A 7.41 3.96 1.29 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 0.00 0.00 53 M 7.95 3.90 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 54 T 8.55 3.70 4.37 0.00 0.00 0.00 0.00 0.00 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 55 R 5.95 4.07 0.00 1.76 2.02 0.00 3.39 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 56 A 7.85 4.75 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 57 V 8.02 4.04 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 0.61 0.00 0.00 0.97 0.00 0.00 58 K 7.66 3.55 0.00 1.83 0.88 0.00 1.77 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.44 7.81 59 R 8.38 3.90 0.00 1.75 1.85 0.00 3.26 0.00 0.00 3.27 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 60 Q 7.67 3.92 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.40 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 61 G 8.80 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 62 K 8.14 4.61 0.00 1.64 1.31 0.00 1.51 0.00 0.00 1.32 0.00 0.00 2.83 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.30 1.01 7.81 63 I 7.47 5.17 1.80 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 1.45 0.68 1.05 0.00 0.00 64 W 9.90 4.75 0.00 3.36 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.28 4.68 1.88 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.82 0.77 0.00 0.00 66 R 9.44 4.09 0.00 1.87 1.98 0.00 3.31 0.00 0.00 3.57 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 67 V 7.46 4.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.73 0.00 0.00 68 F 8.57 4.53 0.00 2.96 2.83 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 69 P 0.00 3.56 0.00 2.18 2.06 0.00 3.04 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 1.93 2.05 0.00 70 D 9.04 4.83 0.00 3.08 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 71 K 8.10 4.59 0.00 1.90 2.06 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.35 7.81 72 P 0.00 2.97 0.00 1.85 1.45 0.00 3.66 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.99 0.00 73 I 7.06 2.92 1.23 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 1.33 0.65 -0.13 0.00 0.00 74 T 7.54 4.77 4.11 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 1.11 0.00 0.00 75 E 8.38 4.52 0.00 1.96 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 2.27 2.33 0.00 76 K 8.68 4.31 0.00 1.79 1.68 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.40 1.46 7.81 77 P 0.00 4.79 0.00 2.08 1.43 0.00 3.67 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 2.03 2.09 0.00 78 L 8.78 4.24 0.00 1.64 1.34 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.96 4.15 1.28 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 80 V 7.77 3.83 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 0.73 0.00 0.00 0.93 0.00 0.00 81 R 8.25 4.18 0.00 1.77 1.92 0.00 3.25 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 82 M 8.58 4.54 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.44 0.00 83 G 8.87 4.12 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 0.00 0.00 0.00 84 K 7.47 4.22 0.00 1.75 1.80 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.43 7.81 85 G 7.77 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.21 4.04 0.00 1.71 1.69 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.40 7.81 87 G 8.37 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 0.00 0.00 0.00 88 N 8.44 4.99 0.00 2.68 2.72 0.00 0.00 6.48 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 89 V 8.23 3.69 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 0.27 0.00 0.00 0.75 0.00 0.00 90 E 8.39 4.74 0.00 1.96 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 0.00 2.31 2.35 0.00 91 Y 6.75 4.95 0.00 3.05 2.84 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 92 W 9.04 5.00 0.00 3.32 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 93 V 9.10 4.91 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 0.80 0.00 0.00 1.07 0.00 0.00 94 A 8.66 5.19 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 95 L 8.78 4.28 0.00 1.56 1.81 0.95 0.85 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 96 I 9.21 4.84 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.03 0.98 0.00 0.00 97 Q 8.44 4.73 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.12 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 98 P 0.00 4.40 0.00 2.20 2.19 0.00 3.58 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 2.12 2.09 0.00 99 G 9.01 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 0.00 0.00 0.00 100 K 7.85 4.41 0.00 1.91 1.74 0.00 1.66 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.54 7.81 101 V 8.27 4.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.90 0.00 0.00 102 L 9.04 4.03 0.00 1.80 1.37 0.88 0.62 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 0.00 103 Y 7.92 5.45 0.00 2.94 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 0.00 104 E 9.66 5.60 0.00 2.15 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 2.26 2.32 0.00 105 M 10.19 5.23 0.00 2.30 1.99 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.65 0.00 106 D 9.37 5.01 0.00 3.58 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 7.61 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.16 4.51 2.15 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 0.74 0.00 0.00 0.94 0.00 0.00 109 P 0.00 4.43 0.00 2.17 1.97 0.00 3.69 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 2.11 2.20 0.00 110 E 8.65 3.04 0.00 2.01 1.86 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 2.85 2.58 0.00 111 E 8.11 3.70 0.00 2.00 1.89 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 2.32 2.37 0.00 112 L 7.76 3.78 0.00 1.73 1.67 0.91 1.04 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 0.00 113 A 7.62 3.62 1.16 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 0.00 0.00 114 R 7.51 3.55 0.00 1.62 1.64 0.00 2.67 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 0.50 0.00 115 E 8.04 3.83 0.00 2.06 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 0.00 2.25 2.43 0.00 116 A 8.56 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.66 4.48 0.00 3.45 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 0.00 118 K 8.41 3.90 0.00 1.73 2.19 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.52 7.81 119 L 7.74 4.19 0.00 1.87 1.67 0.89 0.71 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 0.00 120 A 7.90 4.06 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 0.00 121 A 8.26 3.98 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.55 4.04 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 0.00 123 K 7.75 4.10 0.00 1.84 1.90 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.66 1.62 7.81 124 L 7.11 4.60 0.00 1.91 1.64 1.08 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.60 0.00 2.19 2.18 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.13 0.00 126 I 7.36 4.56 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.65 1.02 0.00 0.00 127 K 8.69 4.05 0.00 1.68 1.84 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.49 7.81 128 T 8.11 5.63 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 129 T 8.35 4.66 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 1.28 0.00 0.00 130 F 8.85 4.87 0.00 3.09 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 0.00 131 V 7.91 4.56 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 0.67 0.00 0.00 0.81 0.00 0.00 132 T 8.40 4.71 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 1.24 0.00 0.00 133 K 7.89 3.57 0.00 1.61 1.70 0.00 1.70 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.28 7.81 134 T 7.87 3.61 4.19 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 1.20 0.00 0.00 135 V 8.34 3.71 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.91 0.00 0.00 136 M 7.63 4.28 0.00 1.93 1.81 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00