NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0017 8.0544 120.3841 62.5719 32.7870 173.2705 2 H 3.8695 8.2309 124.7124 55.1351 29.4881 170.5980 3 L 4.6311 8.2955 121.8226 52.2671 44.7952 177.0840 4 T 4.0041 8.5012 120.7964 62.6525 70.3963 173.7649 5 P 4.3519 0.0000 0.0000 65.9138 31.5286 178.9613 6 E 4.0222 8.0921 115.6594 59.1427 29.5590 179.0418 7 E 3.8840 7.8970 119.2430 59.1894 29.7118 178.8198 8 K 3.8094 9.0285 119.5852 59.7471 32.1652 179.4850 9 S 4.2139 8.2207 113.7301 60.9599 62.8913 176.3734 10 A 3.9888 7.7426 124.3825 54.8468 18.0835 179.7420 11 V 3.4357 7.7728 116.7087 66.4987 31.6263 178.3348 12 T 3.9446 7.8805 115.2163 66.6461 68.0800 176.4715 13 A 4.0393 7.9799 121.4389 55.1145 18.7130 179.1533 14 L 3.9340 7.8825 118.8062 58.0569 42.2201 178.9950 15 W 4.3549 8.8306 128.4909 60.2883 30.4175 177.8652 16 G 3.8479 8.0992 104.0989 46.4063 0.0000 174.0616 17 K 4.4539 7.7427 118.8039 56.0065 32.7947 176.4019 18 V 3.6705 7.2337 120.3203 62.0862 32.0391 175.7541 19 N 4.4928 8.3033 125.4886 52.4530 39.0181 175.5024 20 V 3.4669 8.0541 128.6626 65.8518 31.8463 177.1305 21 D 4.3387 8.1088 118.1553 57.5511 40.6643 178.5984 22 E 3.8838 8.5057 118.6622 59.4827 29.5616 179.6630 23 V 3.5043 7.8191 118.4237 65.7759 31.5490 178.2786 24 G 3.6725 8.5151 106.0554 47.7483 0.0000 175.8998 25 G 3.5828 7.9083 108.2349 47.4111 0.0000 175.4259 26 E 3.8708 8.4449 121.9425 58.7178 29.6443 178.7148 27 A 3.9136 8.3900 121.1678 55.1924 18.6484 179.4212 28 L 3.9660 7.8756 118.9369 58.1312 42.1236 179.3302 29 G 3.5940 8.0506 105.7618 47.9517 0.0000 175.9323 30 R 3.9240 8.1342 120.5745 58.5686 30.0134 178.7980 31 L 4.0553 7.8921 120.2910 58.4378 41.9997 179.2435 32 L 4.0369 7.8176 118.3316 57.4032 41.2299 179.6980 33 V 3.5945 7.4919 117.6713 65.7904 31.6988 178.0324 34 V 3.5568 8.0331 117.0289 64.2854 32.8476 175.5932 35 Y 3.9149 7.3321 115.9531 53.9748 37.9445 173.8448 36 P 4.6115 0.0000 0.0000 64.4880 31.8089 177.8306 37 W 4.4038 8.1765 115.0386 59.3674 28.1472 177.8861 38 T 4.3163 7.5176 110.2213 63.8860 68.1840 176.2076 39 Q 4.2681 8.2692 121.5618 58.7794 28.4203 178.2463 40 R 4.0209 7.7381 119.2889 59.2403 30.0444 177.9225 41 F 4.1620 7.6744 115.6861 58.4647 39.1334 175.5973 42 F 4.6865 8.2078 118.6884 56.5321 39.5810 177.0658 43 E 3.9516 8.5687 122.9786 59.7300 29.3589 179.0529 44 S 4.6143 8.0443 109.8105 58.8783 63.4394 174.7065 45 F 4.5318 8.5799 120.4759 58.6470 39.8777 176.0117 46 G 4.0133 7.4604 105.3480 43.8600 0.0000 173.9777 47 D 4.4931 8.6354 124.6225 54.4995 41.3613 176.0123 48 L 4.9256 8.3420 125.8307 54.4957 43.4369 177.9073 49 S 4.3149 8.5013 116.9713 60.4766 63.4126 174.7775 50 T 4.7364 7.4713 109.9107 58.3169 72.9650 172.6842 51 P 4.2035 0.0000 0.0000 66.0581 31.3568 178.6216 52 D 4.3230 8.0893 116.7053 57.3334 40.5729 178.5504 53 A 3.9747 7.7202 119.9607 55.0616 18.7860 179.5343 54 V 3.6890 7.8625 116.7185 66.6563 31.4707 178.3293 55 M 4.2132 8.4776 117.1773 57.5949 31.8449 178.0434 56 G 4.0222 7.7676 103.5307 43.6724 0.0000 173.2235 57 N 4.4339 7.5824 121.1431 52.7572 39.2266 173.7968 58 P 4.2154 0.0000 0.0000 65.5606 31.4091 178.8053 59 K 3.6726 8.2068 117.5072 58.9468 31.7905 179.6447 60 V 3.6931 7.6691 118.2156 65.8909 31.6965 178.0887 61 K 3.9188 8.3398 118.4105 59.4051 31.9815 179.2659 62 A 3.9785 8.2252 121.3849 55.4670 18.2414 179.2443 63 H 4.4899 8.4333 116.9462 59.1915 29.9295 177.7349 64 G 3.5435 8.3010 107.9156 47.5778 0.0000 175.6151 65 K 4.0114 8.0248 121.7242 58.9694 32.2832 178.9779 66 K 3.9669 7.9339 119.5524 59.4329 32.2259 178.7159 67 V 3.6451 7.9860 118.7777 66.3446 31.4391 177.8758 68 L 4.3256 8.2855 119.6122 57.7361 41.8854 179.0975 69 G 3.7381 8.3062 106.0146 47.6872 0.0000 175.6469 70 A 4.1618 7.9387 122.0507 54.7890 18.7679 179.0901 71 F 4.2038 8.5495 119.2665 61.6505 39.3705 177.0794 72 S 4.1288 9.0062 112.9448 61.8772 62.1225 176.0336 73 D 4.5383 8.4614 121.3655 57.1149 40.3922 178.9849 74 G 3.4137 8.0785 106.4963 47.4262 0.0000 175.4805 75 L 3.8264 7.3096 119.2992 56.2093 41.6265 178.0658 76 A 4.4837 7.3374 119.1326 51.9966 19.5760 176.4815 77 H 4.8638 8.1422 115.8804 55.0507 30.1202 175.8703 78 L 3.9976 8.1802 121.3761 58.0098 41.5886 178.5319 79 D 4.4948 7.8874 115.8779 55.8773 41.9514 176.1442 80 N 4.9827 8.4689 118.4119 51.4372 39.8074 174.8545 81 L 3.9232 7.7986 122.7752 57.6886 42.0897 179.3257 82 K 4.0068 8.0328 117.2159 59.6689 32.0546 179.1377 83 G 3.6747 8.0800 105.2453 48.0023 0.0000 175.9256 84 T 3.7265 7.5084 116.9573 65.5856 68.6179 175.8464 85 F 4.9162 7.8000 117.1162 57.1259 39.1779 177.4432 86 A 4.0409 7.5892 121.8992 55.7085 18.2204 180.5422 87 T 3.9931 7.8915 107.5205 65.0854 68.8474 176.3678 88 L 4.0991 7.9973 121.3558 57.3518 41.6919 179.2799 89 S 4.3733 8.4927 114.8745 61.0404 62.4292 175.8686 90 E 3.8849 8.3243 121.3491 59.4677 29.2133 179.2881 91 L 3.9104 8.0778 120.0964 58.5539 42.2054 178.7588 92 H 4.1295 8.4426 116.1743 58.6953 28.5527 177.3922 93 C 3.5683 7.7498 120.4014 62.3987 31.2112 175.3943 94 D 4.3193 8.3505 119.2501 56.1794 40.5385 177.4540 95 K 4.2693 7.7395 116.8023 57.4566 33.6197 177.2880 96 L 4.1749 7.7206 116.9025 54.8486 42.3460 176.1876 97 H 4.0759 7.1308 114.1398 56.6305 26.6441 175.1927 98 V 3.9817 7.7717 118.3174 60.9256 32.4163 174.7319 99 D 4.3046 8.7267 127.1468 53.9802 41.4156 175.2350 100 P 3.0913 0.0000 0.0000 64.5647 31.9376 177.9717 101 E 3.8040 8.0640 118.7987 59.2835 29.3119 178.4940 102 N 4.2682 7.9889 116.3830 55.8694 38.4508 177.3029 103 F 4.4960 7.6586 119.8368 60.4780 38.9299 177.8978 104 R 3.9933 7.9229 117.4256 59.1087 29.9381 178.8087 105 L 3.8389 7.6884 118.4407 57.6292 41.5265 179.3469 106 L 4.0218 8.0635 120.3251 57.9928 42.1488 178.8764 107 G 3.8637 8.1113 105.7408 48.3768 0.0000 175.3425 108 N 4.4805 8.1943 119.1210 55.5983 38.5425 177.7599 109 V 3.6102 8.0291 119.8928 65.9477 31.6215 177.5517 110 L 3.8563 8.5266 120.4242 58.4636 41.7884 179.2518 111 V 3.5747 7.6764 117.6153 66.1775 31.4229 177.8176 112 C 4.1262 8.1145 116.5801 62.6365 27.8548 176.3122 113 V 3.5073 7.7774 119.9000 65.9097 31.0876 177.9498 114 L 3.8585 7.8135 118.5610 57.7736 41.3614 179.4867 115 A 3.5976 7.2355 120.4700 55.2063 18.0756 179.0770 116 H 3.9632 7.9445 115.7546 59.7720 29.9637 176.8784 117 H 4.1738 8.2339 117.0002 58.0604 28.9936 176.9000 118 F 4.6751 8.5256 117.7215 54.8715 39.6641 178.8940 119 G 3.9245 8.8081 107.9294 46.0520 0.0000 175.7720 120 K 3.9130 9.3557 121.5033 59.3327 32.0119 177.4994 121 E 4.0650 8.3834 118.1968 58.2592 30.2651 176.8794 122 F 4.5346 7.9785 123.7129 57.1180 38.1363 175.3131 123 T 4.0735 7.2492 114.5420 60.9835 71.0618 173.1356 124 P 4.1604 0.0000 0.0000 65.5647 31.3881 177.2298 125 P 4.2014 0.0000 0.0000 65.4378 31.2402 178.8656 126 V 3.5549 7.4998 116.8365 65.7404 31.3769 177.7962 127 Q 3.5562 7.8974 119.4596 59.0588 29.0017 177.9887 128 A 3.9958 8.0536 121.5284 55.2683 18.3516 179.3923 129 A 3.8950 7.8016 118.4809 55.7361 18.4739 179.5783 130 Y 3.9214 8.1475 115.1518 61.1676 37.9007 178.7629 131 Q 4.1787 8.8041 119.6602 58.8813 28.7685 178.9618 132 K 4.0031 8.0515 119.3410 59.3029 31.9955 179.5683 133 V 3.4802 7.7501 118.5210 66.0906 31.5070 178.2805 134 V 3.7518 8.4070 118.1871 66.0092 31.2608 177.8653 135 A 4.1585 8.3045 120.8268 54.9627 18.2158 179.8740 136 G 3.4961 8.2985 104.4604 47.8313 0.0000 176.1707 137 V 3.4834 8.0824 120.7073 65.4949 31.5460 177.8141 138 A 3.8883 7.9962 120.4572 55.5225 18.0556 179.4301 139 N 4.3221 8.1991 113.3140 56.3250 38.9115 177.2975 140 A 4.1674 8.1337 122.3221 55.1488 18.4507 179.6651 141 L 3.9044 8.0924 117.0670 56.8660 41.6198 178.5557 142 A 4.4408 7.6762 119.1805 53.0149 18.8461 178.5366 143 H 4.2510 7.9592 116.4580 58.5635 29.9955 175.8167 144 K 4.4737 8.0346 117.5784 56.2727 32.1073 176.3909 145 Y 4.0824 7.9057 117.3908 58.4523 38.3896 175.7883 146 H 4.4682 8.2502 117.4687 56.1645 28.3288 173.2696 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 V 8.05 4.00 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 0.95 0.00 0.00 0.89 0.00 0.00 2 H 8.23 3.87 0.00 3.19 3.26 0.00 5.75 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.30 4.63 0.00 1.67 1.47 0.81 0.87 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 4 T 8.50 4.00 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 1.20 0.00 0.00 5 P 0.00 4.35 0.00 2.12 2.08 0.00 3.56 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 6 E 8.09 4.02 0.00 2.13 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 2.33 2.32 0.00 7 E 7.90 3.88 0.00 2.25 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 2.35 2.35 0.00 8 K 9.03 3.81 0.00 1.91 1.81 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.51 7.81 9 S 8.22 4.21 0.00 4.06 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 10 A 7.74 3.99 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 11 V 7.77 3.44 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 0.52 0.00 0.00 0.60 0.00 0.00 12 T 7.88 3.94 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 1.25 0.00 0.00 13 A 7.98 4.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 3.93 0.00 1.79 1.94 0.35 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.83 4.35 0.00 3.81 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.10 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 0.00 0.00 0.00 17 K 7.74 4.45 0.00 2.06 2.05 0.00 1.87 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.40 7.81 18 V 7.23 3.67 1.14 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 -0.03 0.00 0.00 0.67 0.00 0.00 19 N 8.30 4.49 0.00 2.70 2.59 0.00 0.00 6.85 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 20 V 8.05 3.47 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 1.18 0.00 0.00 0.87 0.00 0.00 21 D 8.11 4.34 0.00 2.94 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 22 E 8.51 3.88 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 23 V 7.82 3.50 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 0.79 0.00 0.00 0.66 0.00 0.00 24 G 8.52 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.91 3.58 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 0.00 0.00 0.00 26 E 8.44 3.87 0.00 2.02 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 2.23 2.25 0.00 27 A 8.39 3.91 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 L 7.88 3.97 0.00 1.73 1.60 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.05 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 30 R 8.13 3.92 0.00 2.05 1.96 0.00 3.09 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 31 L 7.89 4.06 0.00 1.90 1.90 0.90 0.72 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 32 L 7.82 4.04 0.00 1.90 1.70 0.79 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.49 3.59 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 0.73 0.00 0.00 0.92 0.00 0.00 34 V 8.03 3.56 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.81 0.00 0.00 35 Y 7.33 3.91 0.00 2.58 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 36 P 0.00 4.61 0.00 2.20 2.15 0.00 4.05 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.93 0.00 37 W 8.18 4.40 0.00 3.58 3.49 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 38 T 7.52 4.32 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 39 Q 8.27 4.27 0.00 2.27 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 40 R 7.74 4.02 0.00 1.87 1.48 0.00 3.25 0.00 0.00 3.35 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 41 F 7.67 4.16 0.00 2.40 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 0.00 0.00 0.00 0.00 42 F 8.21 4.69 0.00 2.80 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.57 3.95 0.00 2.00 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 2.54 2.25 0.00 44 S 8.04 4.61 0.00 4.12 4.07 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 0.00 0.00 0.00 0.00 45 F 8.58 4.53 0.00 3.17 3.16 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 46 G 7.46 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 47 D 8.64 4.49 0.00 2.65 2.63 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 48 L 8.34 4.93 0.00 1.66 1.62 1.02 1.04 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 49 S 8.50 4.31 0.00 4.02 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 50 T 7.47 4.74 4.24 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 1.21 0.00 0.00 51 P 0.00 4.20 0.00 2.16 2.13 0.00 3.59 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 2.10 2.17 0.00 52 D 8.09 4.32 0.00 2.67 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.72 3.97 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 54 V 7.86 3.69 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 1.06 0.00 0.00 0.96 0.00 0.00 55 M 8.48 4.21 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.87 0.00 56 G 7.77 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 57 N 7.58 4.43 0.00 2.98 2.81 0.00 0.00 7.10 7.29 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 58 P 0.00 4.22 0.00 2.12 2.03 0.00 3.60 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 59 K 8.21 3.67 0.00 1.49 0.74 0.00 1.71 0.00 0.00 1.18 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.12 1.22 7.81 60 V 7.67 3.69 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.03 0.00 0.00 61 K 8.34 3.92 0.00 1.93 1.81 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.42 1.52 7.81 62 A 8.23 3.98 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 63 H 8.43 4.49 0.00 3.50 3.44 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.30 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 65 K 8.02 4.01 0.00 1.88 2.06 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.47 7.81 66 K 7.93 3.97 0.00 2.16 2.07 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.53 7.81 67 V 7.99 3.65 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 0.97 0.00 0.00 0.92 0.00 0.00 68 L 8.29 4.33 0.00 2.02 1.80 0.80 1.16 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 69 G 8.31 3.74 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 0.00 0.00 0.00 70 A 7.94 4.16 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.55 4.20 0.00 3.14 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 9.01 4.13 0.00 4.59 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 0.00 73 D 8.46 4.54 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 74 G 8.08 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.31 3.83 0.00 1.43 1.46 -0.34 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.34 4.48 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.14 4.86 0.00 3.10 3.09 0.00 5.83 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.18 4.00 0.00 1.53 1.65 0.77 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.89 4.49 0.00 2.62 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 80 N 8.47 4.98 0.00 2.65 2.58 0.00 0.00 7.08 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.80 3.92 0.00 1.73 1.79 0.90 0.83 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 82 K 8.03 4.01 0.00 1.63 1.80 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.06 1.42 7.81 83 G 8.08 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.51 3.73 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 85 F 7.80 4.92 0.00 3.15 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 A 7.59 4.04 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 87 T 7.89 3.99 4.27 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 1.22 0.00 0.00 88 L 8.00 4.10 0.00 2.04 1.82 1.04 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.49 4.37 0.00 4.02 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 90 E 8.32 3.88 0.00 2.21 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 2.35 2.50 0.00 91 L 8.08 3.91 0.00 1.88 1.87 0.91 0.97 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 92 H 8.44 4.13 0.00 3.61 3.80 0.00 5.86 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.75 3.57 0.00 1.23 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 0.00 0.00 0.00 0.00 94 D 8.35 4.32 0.00 2.68 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 95 K 7.74 4.27 0.00 1.79 1.78 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.46 7.81 96 L 7.72 4.17 0.00 1.76 1.66 0.70 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.13 4.08 0.00 3.51 3.40 0.00 5.64 0.00 0.00 0.00 0.00 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.77 3.98 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 0.07 0.00 0.00 0.65 0.00 0.00 99 D 8.73 4.30 0.00 2.76 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 0.00 100 P 0.00 3.09 0.00 1.96 1.91 0.00 3.38 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 1.45 0.60 0.00 101 E 8.06 3.80 0.00 2.03 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 0.00 2.29 2.36 0.00 102 N 7.99 4.27 0.00 2.47 2.61 0.00 0.00 6.90 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 0.00 103 F 7.66 4.50 0.00 3.10 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 0.00 104 R 7.92 3.99 0.00 1.99 1.98 0.00 3.26 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 105 L 7.69 3.84 0.00 1.64 1.27 0.46 -0.10 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 0.00 106 L 8.06 4.02 0.00 1.79 1.84 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.11 3.86 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 0.00 0.00 0.00 108 N 8.19 4.48 0.00 2.82 2.94 0.00 0.00 6.72 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.03 3.61 2.26 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 1.02 0.00 0.00 1.15 0.00 0.00 110 L 8.53 3.86 0.00 1.71 1.88 0.87 0.51 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 0.00 111 V 7.68 3.57 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 1.23 0.00 0.00 1.16 0.00 0.00 112 C 8.11 4.13 0.00 3.21 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 0.00 113 V 7.78 3.51 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 1.02 0.00 0.00 0.89 0.00 0.00 114 L 7.81 3.86 0.00 1.16 1.18 0.65 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.24 3.60 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 0.00 116 H 7.94 3.96 0.00 3.19 3.48 0.00 5.77 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.23 4.17 0.00 2.91 2.61 0.00 5.69 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.53 4.68 0.00 3.25 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 0.00 119 G 8.81 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 0.00 120 K 9.36 3.91 0.00 1.82 1.95 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.43 7.81 121 E 8.38 4.07 0.00 2.21 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 0.00 2.35 2.31 0.00 122 F 7.98 4.53 0.00 3.07 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 0.00 123 T 7.25 4.07 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 124 P 0.00 4.16 0.00 2.15 2.14 0.00 3.57 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 2.11 2.19 0.00 125 P 0.00 4.20 0.00 2.11 2.06 0.00 3.48 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 2.08 2.11 0.00 126 V 7.50 3.55 1.90 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 0.92 0.00 0.00 0.89 0.00 0.00 127 Q 7.90 3.56 0.00 1.70 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.52 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 128 A 8.05 4.00 1.37 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 0.00 0.00 0.00 129 A 7.80 3.89 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 0.00 130 Y 8.15 3.92 0.00 3.30 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.80 4.18 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.71 2.62 0.00 132 K 8.05 4.00 0.00 1.95 1.84 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.63 7.81 133 V 7.75 3.48 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.74 0.00 0.00 134 V 8.41 3.75 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 1.02 0.00 0.00 1.18 0.00 0.00 135 A 8.30 4.16 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 G 8.30 3.50 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 0.00 137 V 8.08 3.48 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 0.69 0.00 0.00 0.69 0.00 0.00 138 A 8.00 3.89 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 0.00 139 N 8.20 4.32 0.00 2.70 2.91 0.00 0.00 7.10 8.18 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 0.00 140 A 8.13 4.17 1.44 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 0.00 0.00 0.00 141 L 8.09 3.90 0.00 1.14 0.65 -0.06 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.68 4.44 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 0.00 143 H 7.96 4.25 0.00 3.41 3.50 0.00 5.75 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.03 4.47 0.00 1.85 1.85 0.00 1.82 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.61 7.81 145 Y 7.91 4.08 0.00 3.10 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 0.00 146 H 8.25 4.47 0.00 3.19 3.24 0.00 5.75 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