NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.0233 8.2548 109.1179 45.7017 0.0000 175.2597 17 I 3.6387 7.1892 119.8606 62.8942 37.4516 175.5534 18 T 3.9812 7.8245 116.9142 63.1883 70.1128 173.7608 19 G 3.4776 7.5472 114.0403 45.0581 0.0000 171.4647 20 T 4.6578 7.4761 118.2349 61.4760 70.9433 174.2691 21 W 4.8694 8.0484 124.2575 54.9005 33.6464 173.7692 22 Y 5.3730 9.1426 120.5617 56.4695 40.9741 175.5851 23 N 4.9362 8.7390 121.4603 51.1545 39.9575 175.0635 24 Q 4.5369 8.5300 117.2346 56.2517 28.7926 176.0609 25 L 4.6994 8.4319 115.8937 54.5760 42.9352 177.1191 26 G 4.0557 8.7936 106.5925 45.1940 0.0000 173.4387 27 S 5.4154 8.8195 116.0094 57.2873 66.1123 173.1637 28 T 5.1655 8.6651 117.1729 62.2225 73.1461 173.0384 29 F 5.0350 8.4794 117.4523 55.4919 41.9976 172.8204 30 I 4.9128 8.7536 120.5386 59.2393 40.7610 174.6207 31 V 4.9370 8.8086 127.4637 60.4782 35.4445 173.7681 32 T 4.6948 8.7782 119.5476 61.8442 70.8611 173.2050 33 A 4.5025 8.7836 129.8427 50.3475 19.7462 177.1668 34 G 3.9026 9.1848 111.7562 45.0814 0.0000 173.8990 35 A 4.2043 8.4803 122.1495 54.0461 18.4902 178.1724 36 D 4.5196 8.0232 113.7356 53.3004 40.2194 177.2816 37 G 3.3846 8.2363 109.1894 44.7409 0.0000 173.2068 38 A 4.6203 8.2687 122.2747 51.5948 20.1017 176.5940 39 L 5.1888 8.9455 121.3896 53.2989 44.7607 176.0072 40 T 4.8199 8.4126 119.9867 62.3746 72.7835 172.7637 41 G 4.8560 8.5667 113.7390 47.1531 0.0000 171.8988 42 T 5.2567 8.0858 110.8420 60.1389 72.8680 172.4752 43 Y 4.9234 9.3949 125.0533 55.8237 41.6905 173.7283 44 E 5.3215 9.0863 128.2347 54.5671 31.2287 176.4554 45 S 4.6654 9.8182 123.5791 60.3823 64.3286 174.0986 46 A 4.7856 8.4602 122.4500 49.5450 21.3842 175.9530 47 V 3.8143 8.6952 122.7383 65.5657 31.8223 176.7371 48 G 3.8273 9.2962 115.5581 45.2289 0.0000 172.7019 49 N 4.5716 8.2443 119.3326 51.5463 38.3818 175.1485 50 A 4.0176 8.4634 129.5828 54.4282 18.5589 177.6415 51 E 3.5922 8.1377 113.7757 56.4170 30.0692 176.5684 52 S 4.9015 7.8738 114.2254 58.1745 64.4106 173.3336 53 R 5.2609 7.7222 118.9231 55.7063 31.7129 175.3152 54 Y 4.8877 9.1604 120.5030 55.8318 42.6656 175.0187 55 V 4.0333 8.6085 121.9763 63.0293 32.6741 174.8663 56 L 5.0617 8.8027 128.6835 53.6538 45.2110 174.9276 57 T 5.0860 8.5116 118.6555 61.2329 71.4034 173.2691 58 G 4.1237 8.6466 112.2850 46.5900 0.0000 172.1012 59 R 5.5879 8.7444 118.0248 55.1460 35.0092 173.9753 60 Y 5.2882 8.5718 118.5555 55.2754 42.0974 174.4150 61 D 4.4033 9.2858 121.0833 54.2345 41.7172 176.3251 62 S 4.4859 8.2981 119.9606 58.3671 63.5770 175.0318 63 A 4.7007 8.5581 124.7886 50.6749 18.8401 175.3476 64 P 4.9435 0.0000 0.0000 62.4248 32.3790 178.2664 64A G 3.7946 7.4203 109.1264 45.8458 0.0000 173.2729 65 R 4.7075 8.2847 120.5137 54.6333 34.2411 175.2278 66 G 4.1410 8.6738 106.6498 45.4565 0.0000 173.2960 67 D 4.9081 7.4633 118.8054 54.6962 40.3562 175.8641 68 G 3.9521 7.8065 108.2666 47.3162 0.0000 174.4694 69 S 4.4229 7.6584 115.2328 57.7689 64.3953 174.9409 70 G 4.2173 8.3453 110.1319 46.4452 0.0000 172.7275 71 T 4.8100 8.9914 117.0567 61.4834 70.1942 174.7200 72 A 4.8475 8.6851 129.2328 52.2642 20.0322 175.8096 73 L 5.0203 9.0677 120.0792 55.5358 44.6151 174.0367 74 G 4.6610 9.2269 105.2142 45.4329 0.0000 172.1431 75 W 5.8220 8.6341 117.5066 55.4990 32.4872 173.4336 76 T 5.1878 9.2908 116.9404 61.7704 71.9253 173.3965 77 V 4.5632 8.6262 124.4986 60.8854 34.2447 174.1247 78 A 4.1958 8.3149 129.9701 50.1823 19.5740 178.0397 79 W 4.0938 8.4941 125.6228 55.5818 28.1565 176.4098 80 K 5.2469 7.8026 118.2719 54.6731 34.7503 174.5292 81 N 4.9312 9.1932 123.3560 52.3135 39.5681 174.1960 82 N 4.3855 8.8717 114.1003 55.1577 38.8681 175.0023 83 Y 4.6104 8.7369 114.8779 57.7096 40.3178 175.6861 84 R 4.6847 7.9338 118.9052 54.8599 33.3800 173.5800 85 N 5.1683 8.5002 121.3432 52.2476 40.0787 173.6455 86 A 4.2475 9.1236 128.3190 52.0329 19.2673 176.5803 87 H 4.1206 8.5623 113.8178 55.9689 27.1066 173.8369 88 S 5.1561 7.4499 110.0188 57.9320 66.4026 174.4288 89 A 4.8804 8.9762 121.6993 50.7586 22.8011 175.1422 90 T 4.8853 8.4421 118.0155 61.7978 71.3826 173.6246 91 T 4.8938 8.5106 115.6676 59.5928 71.9171 172.7818 92 W 4.9521 8.7584 124.5247 54.7814 32.0333 174.4734 93 S 4.9197 8.7941 119.6011 56.8615 64.7748 173.2376 94 G 4.5422 8.5170 112.8041 46.6018 0.0000 171.6257 95 Q 5.2292 8.4672 117.3815 54.8152 32.1348 173.5987 96 Y 4.8543 9.2248 123.7989 57.1319 40.5827 174.1321 97 V 4.2126 8.5233 126.2012 61.2111 34.4559 175.3261 98 G 3.7254 8.0702 118.6404 44.8239 0.0000 171.5632 99 G 3.7789 8.6342 105.9744 44.2203 0.0000 172.6260 100 A 4.1277 8.5170 120.2849 54.5265 18.9489 178.2450 101 E 4.6766 7.7231 113.4136 54.1964 29.5443 175.3241 102 A 4.4784 7.7399 121.3270 52.6378 19.8276 177.9550 103 R 5.2554 9.2819 118.9417 55.0537 35.6725 174.4281 104 I 4.8984 8.9693 122.5888 59.8622 39.7743 174.4130 105 N 5.2885 9.0490 126.2659 52.4264 40.1649 174.8384 106 T 5.3613 9.1192 113.1906 60.2078 73.0517 172.7443 107 Q 5.1782 9.0290 121.5849 54.0828 31.9434 174.7385 108 W 5.4581 8.4986 118.3440 54.7618 32.3760 173.7952 109 L 5.2703 8.8407 120.3865 52.9694 45.0159 175.3116 110 L 4.9918 9.3528 126.4817 53.8438 44.1316 174.7187 111 T 5.0335 8.7458 123.9739 62.1043 70.6401 174.2259 112 S 5.1229 8.6467 122.3326 56.4745 65.0736 174.5112 113 G 3.9003 8.8019 111.7712 46.7001 0.0000 172.9550 114 T 4.7959 8.2669 112.8979 59.3372 72.5293 173.2678 115 T 4.4344 8.0662 112.0081 61.0758 69.9819 175.3888 116 E 3.9668 8.8198 120.8573 59.5977 29.1984 179.5083 117 A 4.2216 8.1076 118.8537 54.2392 18.7598 178.1325 118 N 4.7809 7.7939 112.9124 53.1435 39.1219 176.5314 119 A 4.2636 8.2411 126.4905 54.2314 18.1736 180.0299 120 W 4.3066 8.4153 113.8479 58.6881 28.1900 176.7634 121 K 4.0149 6.6489 117.5121 56.0756 32.1326 177.3014 122 S 4.2117 7.8800 115.9513 60.7206 63.5896 173.3260 123 T 5.0048 7.5039 117.2873 61.7766 71.0434 173.5443 124 L 4.7189 8.8588 126.8990 53.6260 43.8930 176.1208 125 V 4.4413 7.8370 120.1468 60.4170 34.5614 175.2858 126 G 3.0676 6.5424 107.6259 45.7297 0.0000 171.3030 127 H 5.4329 8.0640 113.8169 54.1272 32.0511 172.6467 128 D 5.0037 9.2280 118.6582 53.0830 45.3620 174.4323 129 T 5.1413 8.5357 118.8969 61.9889 71.1285 173.0311 130 F 5.5692 9.4483 126.0787 56.1695 41.6224 175.1093 131 T 5.4879 9.4896 112.4744 60.0764 72.1315 174.9019 132 K 3.6789 8.8312 120.4031 57.7327 32.5838 177.5651 133 V 4.5484 7.4947 110.4858 59.2147 35.4583 174.5618 134 K 4.6091 7.7634 119.2090 54.0735 35.5459 174.4309 135 P 4.2861 0.0000 0.0000 63.2341 31.7571 175.9596 136 S 4.5987 8.0697 114.5826 57.1406 66.0912 172.8068 137 A 4.4403 7.9197 121.5326 50.8823 21.5601 176.3321 138 A 4.1858 8.2929 122.9171 51.9346 19.2139 178.2766 139 S 4.2948 8.4495 114.5329 58.9547 62.8688 174.6944 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 16 G 8.25 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 17 I 7.19 3.64 1.35 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.36 0.61 0.00 0.00 18 T 7.82 3.98 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 1.18 0.00 0.00 19 G 7.55 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.48 4.66 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 0.66 0.00 0.00 21 W 8.05 4.87 0.00 1.78 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 9.14 5.37 0.00 2.95 2.87 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 23 N 8.74 4.94 0.00 2.53 2.36 0.00 0.00 6.90 7.28 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 24 Q 8.53 4.54 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 7.33 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 25 L 8.43 4.70 0.00 1.67 1.68 1.02 1.09 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 26 G 8.79 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 27 S 8.82 5.42 0.00 4.16 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 28 T 8.67 5.17 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 0.58 0.00 0.00 29 F 8.48 5.04 0.00 2.94 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 30 I 8.75 4.91 1.74 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.33 0.88 0.00 0.00 31 V 8.81 4.94 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 0.78 0.00 0.00 0.74 0.00 0.00 32 T 8.78 4.69 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 1.18 0.00 0.00 33 A 8.78 4.50 0.54 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 34 G 9.18 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 35 A 8.48 4.20 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 36 D 8.02 4.52 0.00 2.78 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.24 3.38 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 0.00 0.00 0.00 0.00 38 A 8.27 4.62 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 39 L 8.95 5.19 0.00 1.60 1.46 1.10 0.30 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 40 T 8.41 4.82 4.22 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 1.20 0.00 0.00 41 G 8.57 4.86 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 42 T 8.09 5.26 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 1.21 0.00 0.00 43 Y 9.39 4.92 0.00 2.88 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 44 E 9.09 5.32 0.00 2.03 1.77 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 2.38 2.35 0.00 45 S 9.82 4.67 0.00 4.00 4.36 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 46 A 8.46 4.79 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 V 8.70 3.81 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 0.83 0.00 0.00 1.14 0.00 0.00 48 G 9.30 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 0.00 0.00 0.00 49 N 8.24 4.57 0.00 2.70 2.87 0.00 0.00 6.97 7.57 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 50 A 8.46 4.02 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 51 E 8.14 3.59 0.00 1.74 1.12 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 1.47 1.81 0.00 52 S 7.87 4.90 0.00 4.07 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 53 R 7.72 5.26 0.00 1.63 1.88 0.00 3.23 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 54 Y 9.16 4.89 0.00 2.89 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.61 4.03 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 0.73 0.00 0.00 0.95 0.00 0.00 56 L 8.80 5.06 0.00 1.65 1.44 -0.04 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.51 5.09 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 1.23 0.00 0.00 58 G 8.65 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 59 R 8.74 5.59 0.00 1.74 1.78 0.00 3.29 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 60 Y 8.57 5.29 0.00 3.10 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 9.29 4.40 0.00 2.84 2.71 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 0.00 0.00 0.00 0.00 62 S 8.30 4.49 0.00 3.89 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.56 4.70 1.23 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 64 P 0.00 4.94 0.00 2.28 2.29 0.00 3.45 0.00 0.00 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 64A G 7.42 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 65 R 8.28 4.71 0.00 1.76 1.94 0.00 3.20 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.77 0.00 66 G 8.67 4.14 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 0.00 0.00 0.00 67 D 7.46 4.91 0.00 2.75 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 68 G 7.81 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.66 4.42 0.00 3.91 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 70 G 8.35 4.22 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 0.00 71 T 8.99 4.81 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 72 A 8.69 4.85 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 73 L 9.07 5.02 0.00 2.06 1.95 1.22 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.23 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 W 8.63 5.82 0.00 3.40 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 76 T 9.29 5.19 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 1.17 0.00 0.00 77 V 8.63 4.56 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 -0.23 0.00 0.00 0.75 0.00 0.00 78 A 8.31 4.20 1.15 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 79 W 8.49 4.09 0.00 3.36 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 7.80 5.25 0.00 1.73 1.73 0.00 1.79 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.45 7.81 81 N 9.19 4.93 0.00 2.80 2.70 0.00 0.00 6.60 6.93 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 82 N 8.87 4.39 0.00 2.62 2.61 0.00 0.00 6.58 7.46 0.00 0.00 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 Y 8.74 4.61 0.00 2.98 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 84 R 7.93 4.68 0.00 2.00 2.03 0.00 3.17 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 85 N 8.50 5.17 0.00 2.67 2.59 0.00 0.00 7.01 7.96 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 86 A 9.12 4.25 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 87 H 8.56 4.12 0.00 3.35 3.35 0.00 5.66 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.45 5.16 0.00 3.98 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 89 A 8.98 4.88 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 90 T 8.44 4.89 3.52 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 -0.57 0.00 0.00 91 T 8.51 4.89 4.14 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 1.13 0.00 0.00 92 W 8.76 4.95 0.00 1.78 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 0.00 0.00 0.00 0.00 93 S 8.79 4.92 0.00 3.78 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 94 G 8.52 4.54 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 95 Q 8.47 5.23 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 96 Y 9.22 4.85 0.00 2.99 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 97 V 8.52 4.21 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 0.92 0.00 0.00 0.90 0.00 0.00 98 G 8.07 3.73 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 0.00 0.00 0.00 99 G 8.63 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.52 4.13 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 0.00 101 E 7.72 4.68 0.00 1.95 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 2.21 2.22 0.00 102 A 7.74 4.48 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 0.00 103 R 9.28 5.26 0.00 1.79 1.91 0.00 3.14 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 104 I 8.97 4.90 1.87 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.36 1.10 0.00 0.00 105 N 9.05 5.29 0.00 2.77 2.82 0.00 0.00 6.13 6.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 9.12 5.36 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 107 Q 9.03 5.18 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 108 W 8.50 5.46 0.00 2.60 2.38 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 0.00 109 L 8.84 5.27 0.00 1.52 1.54 0.87 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.35 4.99 0.00 1.58 1.70 0.99 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.75 5.03 4.22 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 1.19 0.00 0.00 112 S 8.65 5.12 0.00 3.69 3.75 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 0.00 0.00 0.00 0.00 113 G 8.80 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 0.00 114 T 8.27 4.80 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 1.24 0.00 0.00 115 T 8.07 4.43 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 1.21 0.00 0.00 116 E 8.82 3.97 0.00 2.05 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 0.00 2.42 2.39 0.00 117 A 8.11 4.22 1.36 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 0.00 0.00 118 N 7.79 4.78 0.00 2.75 2.67 0.00 0.00 6.71 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 0.00 119 A 8.24 4.26 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 0.00 120 W 8.42 4.31 0.00 3.59 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 0.00 121 K 6.65 4.01 0.00 1.06 0.74 0.00 1.18 0.00 0.00 1.05 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.30 0.76 7.81 122 S 7.88 4.21 0.00 4.16 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 0.00 123 T 7.50 5.00 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 1.19 0.00 0.00 124 L 8.86 4.72 0.00 1.84 1.73 0.97 0.46 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 0.00 125 V 7.84 4.44 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 0.54 0.00 0.00 0.67 0.00 0.00 126 G 6.54 3.07 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 0.00 0.00 0.00 127 H 8.06 5.43 0.00 3.21 3.13 0.00 5.67 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 0.00 128 D 9.23 5.00 0.00 3.13 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 0.00 0.00 0.00 129 T 8.54 5.14 4.30 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 1.33 0.00 0.00 130 F 9.45 5.57 0.00 3.15 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 T 9.49 5.49 4.40 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 1.44 0.00 0.00 132 K 8.83 3.68 0.00 1.58 1.58 0.00 1.16 0.00 0.00 1.40 0.00 0.00 2.74 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 0.84 7.81 133 V 7.49 4.55 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 0.71 0.00 0.00 0.91 0.00 0.00 134 K 7.76 4.61 0.00 1.63 1.47 0.00 1.38 0.00 0.00 0.81 0.00 0.00 2.68 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.37 1.08 7.81 135 P 0.00 4.29 0.00 2.02 2.00 0.00 3.58 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 136 S 8.07 4.60 0.00 3.82 3.63 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 0.00 137 A 7.92 4.44 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 0.00 138 A 8.29 4.19 1.23 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 0.00 139 S 8.45 4.29 0.00 3.86 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