NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.7925 8.0393 114.0384 62.1554 33.4808 175.4132 2 H 3.8336 8.2076 111.3147 55.9563 26.6937 172.2439 3 W 4.5373 7.6592 123.1225 57.1717 31.4529 178.6781 4 T 4.3736 9.1907 114.2330 61.1684 70.8234 176.1808 5 S 4.1541 8.6587 117.5851 61.7510 62.8400 176.4289 6 E 3.8374 8.1204 122.4485 58.9435 29.4723 178.4456 7 E 4.2405 8.4460 118.7725 59.6074 29.5773 179.3324 8 K 3.6092 8.1452 118.4406 59.5477 32.0512 179.1594 9 Q 3.8883 7.8335 119.2799 59.2179 28.4281 177.6128 10 Y 4.3500 7.8869 117.8539 61.1975 37.8338 178.6570 11 I 3.4099 7.7439 121.0317 64.3293 37.3429 178.4698 12 T 3.9484 8.1406 110.8587 64.8428 68.2934 176.3204 13 S 4.0970 7.9993 115.0730 61.1556 62.8025 175.6725 14 L 3.9201 7.8688 122.1338 57.8732 41.8625 178.6039 15 W 4.2957 8.8733 128.2318 60.4856 30.4264 177.6808 16 A 4.0524 7.9873 119.2694 54.2540 17.8534 178.6478 17 K 4.3547 7.6338 114.8036 55.5469 33.1376 177.0619 18 V 3.6506 6.9505 120.5427 62.5496 31.9311 175.8878 19 N 4.4730 8.4758 125.5744 52.3964 38.5960 175.4673 20 V 3.4854 7.9830 128.0136 65.7567 31.8323 177.6861 21 G 3.5878 7.9564 104.9564 47.6767 0.0000 175.1635 22 E 3.8623 7.9391 121.1888 59.1451 29.9047 178.8738 23 V 3.5452 8.1174 118.8597 65.7428 31.5435 178.2770 24 G 3.6903 8.4840 106.1300 47.6882 0.0000 175.9895 25 G 3.6481 8.1417 108.3908 47.4879 0.0000 175.6865 26 E 3.9259 8.2815 120.7051 59.0507 29.5136 179.2870 27 A 3.9288 8.0458 120.8212 55.1166 18.4860 179.5222 28 L 3.8898 7.9147 118.5248 58.0349 42.1579 178.8787 29 A 3.9297 8.0471 120.7709 55.3979 18.3690 179.9182 30 R 3.8039 8.2548 116.7807 58.9217 30.0449 179.0664 31 L 3.9778 7.9069 120.2956 58.3429 42.0415 179.1674 32 L 4.0113 7.7439 120.1083 57.0227 41.2212 179.6396 33 I 3.7311 7.5341 119.0851 64.1912 37.3519 178.2231 34 V 3.5902 7.8725 118.0705 64.1605 32.7523 175.6156 35 Y 4.1649 7.2625 116.2672 54.2597 37.8924 174.0469 36 P 4.5876 0.0000 0.0000 64.2609 31.7912 177.7363 37 W 4.4114 8.2929 115.4163 59.4791 27.5161 178.0439 38 T 4.3235 7.5664 110.4998 64.3411 68.1635 176.2859 39 Q 4.3155 8.1885 121.2324 58.5284 28.3869 178.1418 40 R 3.8238 7.8289 119.5582 59.2952 30.0210 177.4830 41 F 4.4043 7.7656 114.0957 57.5092 39.4777 175.6146 42 F 4.5217 8.0552 118.3439 56.5285 39.8418 177.1521 43 A 4.0672 8.4198 125.9130 55.2868 18.1650 179.6365 44 S 4.5129 8.2135 108.4852 59.6914 63.6262 175.2702 45 F 4.3191 8.6285 119.5988 57.8239 39.5347 177.4944 46 G 3.8228 7.5796 108.3869 44.7488 0.0000 172.9275 47 N 4.3939 8.8006 121.2096 54.3133 38.8794 175.2960 48 L 4.8825 8.4060 126.2531 54.6130 42.9890 178.1492 49 S 4.2664 8.9067 113.7261 59.5222 63.5200 173.9930 50 S 4.5752 7.5222 115.3560 56.2384 67.1230 175.0155 51 A 3.9455 8.4620 123.8179 55.5260 17.9666 179.7373 52 N 4.3795 8.1253 114.2764 56.1913 38.4781 177.4115 53 A 4.0343 7.8812 121.6005 55.1943 18.7592 179.4515 54 I 3.8305 8.0101 118.4736 64.5631 37.0084 178.6761 55 L 4.1314 7.9626 118.1462 56.9204 41.4616 178.0982 56 H 4.8999 7.4503 114.2978 54.4468 29.3567 174.5744 57 N 4.5643 7.8189 121.2790 52.7442 39.3614 175.0952 58 A 3.9865 8.6287 130.9673 55.2947 18.5424 178.8816 59 K 3.7888 8.0474 117.4995 59.0524 32.2032 179.0034 60 V 3.8552 8.2906 118.8040 66.1592 31.4662 178.0418 61 L 3.9722 7.9663 118.3342 57.7696 41.5697 179.4333 62 A 4.0017 8.2020 120.8119 55.4121 18.3163 179.1915 63 H 4.3586 8.9342 117.4185 59.4018 29.9200 177.7295 64 G 3.6593 8.5709 107.9708 47.7873 0.0000 175.4393 65 Q 4.0119 8.0587 121.8065 59.0683 29.0746 178.5683 66 K 4.0890 8.0307 119.3645 59.2452 32.0350 179.6432 67 V 3.7009 7.9357 118.7856 66.1094 31.5306 178.2030 68 L 4.5348 8.4772 118.8817 57.9832 41.2245 179.5276 69 T 4.1876 8.1297 115.4697 66.6657 68.6502 176.1808 70 S 4.2369 8.2152 115.0986 61.5325 62.4572 176.1482 71 F 4.2305 8.6349 120.6417 60.6133 38.5232 177.8457 72 G 3.3289 8.2875 105.3126 47.6769 0.0000 175.4105 73 E 3.9669 8.0003 119.2253 58.3236 29.7276 178.8791 74 A 4.2309 8.0153 121.6085 54.9147 18.5106 179.5364 75 V 3.1124 7.3765 115.3623 65.9583 31.4575 177.2150 76 K 4.1608 7.8961 116.7828 58.1376 32.6651 177.4509 77 N 4.9547 7.6396 117.3597 52.3833 39.7667 174.5159 78 L 4.0053 7.7509 120.5500 56.4594 42.2544 177.7874 79 D 4.9770 7.9626 116.1828 54.4122 41.6439 175.9763 80 N 5.1702 7.9240 117.4081 52.5588 40.2243 177.1837 81 I 3.8692 8.2250 120.6542 64.4458 37.1491 177.2439 82 K 3.9057 8.2184 118.9605 59.6903 32.2548 178.2516 83 K 4.1663 8.0140 118.2548 60.2847 32.6264 179.0286 84 T 3.8002 7.9818 116.0392 65.5669 68.4412 175.4848 85 F 4.5113 7.8803 116.8550 57.0192 39.2532 177.4125 86 A 4.0159 7.7729 123.0841 55.5076 18.2118 180.5624 87 Q 3.9346 7.9514 115.9706 59.1781 28.8527 178.8674 88 L 4.0765 7.8708 119.4740 57.5445 41.6413 179.4073 89 S 4.0366 8.3487 113.7192 61.3673 62.3739 175.7277 90 E 3.9022 8.1746 122.0426 59.1063 29.3025 178.5070 91 L 3.8903 7.9039 120.2167 58.7275 42.1538 178.8126 92 H 4.2516 8.5267 116.0264 58.3071 28.3759 177.3965 93 C 4.2356 8.1117 118.4764 62.2908 28.3235 175.8627 94 E 3.8675 8.0074 118.4347 58.2426 29.6892 178.1482 95 K 4.1530 7.9500 118.4107 58.4230 32.7805 177.3794 96 L 4.2553 7.8900 116.5381 55.0888 42.4367 176.3692 97 H 4.2173 7.8854 113.6088 55.4845 26.0320 175.1500 98 V 3.7355 7.9417 118.3426 61.5841 32.5646 174.9974 99 D 4.3636 8.6027 126.9738 53.5132 41.9503 175.0771 100 P 2.9700 0.0000 0.0000 65.2180 31.3390 178.2540 101 E 3.8936 8.4798 118.4022 59.4770 29.3970 178.6271 102 N 4.4869 8.1043 116.0350 55.6891 38.5479 177.4194 103 F 4.5380 7.6275 119.8743 60.4469 38.9598 177.4745 104 K 4.0683 8.0884 118.8610 59.4691 32.1054 178.7509 105 L 3.9602 7.7755 118.9649 57.6540 41.4538 179.2038 106 L 4.1685 8.2974 120.5002 58.1000 42.0421 179.0823 107 G 3.8197 8.3074 105.7255 48.1828 0.0000 175.3775 108 N 4.4909 8.3625 118.8823 56.0328 38.4545 177.6193 109 I 3.7443 7.9602 121.3502 64.3039 37.1161 178.2229 110 L 3.8174 8.1406 121.2702 58.0253 41.9770 178.9771 111 I 3.6862 7.7914 119.8206 64.5349 37.1581 178.4813 112 I 3.7173 7.7316 120.5094 64.2584 37.0533 178.6229 113 V 3.4808 7.8998 119.2957 66.0546 31.3347 178.0105 114 L 3.7698 7.8447 118.6482 57.6245 41.0312 179.4438 115 A 3.8023 6.9523 119.7329 55.1742 18.3993 179.5263 116 T 3.9392 7.5196 107.0632 64.5970 68.9993 175.9993 117 H 4.1899 7.6650 117.5515 56.2002 30.6262 175.4131 118 F 4.9187 7.9715 118.3075 54.9135 39.3107 173.5238 119 P 4.3384 0.0000 0.0000 65.7437 32.0593 178.8416 120 K 4.2406 8.1729 115.9624 59.4253 32.3318 178.3292 121 E 4.2032 8.3085 116.5062 58.9683 30.1188 177.5942 122 F 4.5878 8.1719 123.1512 57.1714 37.9577 174.8876 123 T 4.2177 7.2738 115.7736 60.2135 71.5336 173.5169 124 P 4.0703 0.0000 0.0000 65.8575 31.1783 178.7846 125 A 3.7926 7.6832 118.8047 54.9729 18.3048 179.4514 126 S 3.1871 7.0818 111.2047 61.2208 62.3704 176.0500 127 Q 3.4042 7.7776 122.3306 58.9054 28.6599 178.1780 128 A 3.9583 7.9803 121.5559 55.1938 18.4414 179.5474 129 A 4.1334 7.7796 118.8211 55.2435 18.4345 179.9826 130 W 4.1034 8.5571 117.4748 59.9381 29.1407 179.0636 131 T 4.0812 8.6199 116.6065 66.3931 67.9059 176.6772 132 K 3.9436 8.3141 121.7049 59.3179 32.1625 178.5380 133 L 4.2171 8.2514 120.6094 58.5777 42.1427 179.5001 134 V 4.0408 8.3833 112.4441 64.5374 31.3959 178.4585 135 N 4.4490 8.5202 116.2908 56.0784 38.2636 177.3505 136 A 3.9918 8.0398 122.4432 55.0512 18.5041 179.8695 137 V 2.8886 7.9062 116.6159 65.7053 31.4644 178.1821 138 A 3.8868 8.0729 120.5945 55.3583 18.3142 179.0720 139 H 4.0824 8.6082 116.9382 59.4164 29.7283 177.3313 140 A 4.0061 7.9458 121.6266 55.1752 18.2672 179.3250 141 L 3.9520 7.6085 116.0907 57.1990 42.0071 178.9645 142 A 4.4582 8.0100 120.6249 54.3736 18.3468 179.2444 143 L 4.0561 7.8843 117.6274 57.9058 41.3747 179.4950 144 G 4.0555 7.7716 105.0394 47.7293 0.0000 173.6178 145 Y 5.1347 7.3320 119.8384 55.4223 39.7272 173.7238 146 H 4.1294 8.1490 124.4286 57.1845 31.1196 173.2128 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 8.04 3.79 1.68 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 0.82 0.00 0.00 -0.08 0.00 0.00 2 H 8.21 3.83 0.00 3.39 3.32 0.00 5.52 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 W 7.66 4.54 0.00 3.26 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 4 T 9.19 4.37 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 1.30 0.00 0.00 5 S 8.66 4.15 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 6 E 8.12 3.84 0.00 2.06 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 2.41 2.16 0.00 7 E 8.45 4.24 0.00 2.53 2.39 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 2.54 2.53 0.00 8 K 8.15 3.61 0.00 1.90 1.72 0.00 1.64 0.00 0.00 1.47 0.00 0.00 2.83 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.19 1.68 7.81 9 Q 7.83 3.89 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 10 Y 7.89 4.35 0.00 3.27 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 11 I 7.74 3.41 1.50 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.27 0.00 0.00 0.00 12 T 8.14 3.95 4.26 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 1.14 0.00 0.00 13 S 8.00 4.10 0.00 3.95 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 14 L 7.87 3.92 0.00 2.12 2.06 0.70 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.87 4.30 0.00 3.90 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 A 7.99 4.05 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 17 K 7.63 4.35 0.00 1.88 2.12 0.00 1.73 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.45 7.81 18 V 6.95 3.65 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 0.18 0.00 0.00 0.82 0.00 0.00 19 N 8.48 4.47 0.00 2.76 2.63 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 7.98 3.49 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 1.17 0.00 0.00 0.58 0.00 0.00 21 G 7.96 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 22 E 7.94 3.86 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 23 V 8.12 3.55 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 0.81 0.00 0.00 0.67 0.00 0.00 24 G 8.48 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.14 3.65 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 0.00 0.00 0.00 26 E 8.28 3.93 0.00 2.09 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 2.35 2.45 0.00 27 A 8.05 3.93 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 28 L 7.91 3.89 0.00 1.86 1.65 0.60 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.05 3.93 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 30 R 8.25 3.80 0.00 2.00 1.92 0.00 3.09 0.00 0.00 3.04 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 31 L 7.91 3.98 0.00 1.91 1.83 1.03 0.56 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 7.74 4.01 0.00 1.82 1.61 0.67 0.15 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 33 I 7.53 3.73 1.82 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 1.36 0.53 0.83 0.00 0.00 34 V 7.87 3.59 1.53 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 -0.21 0.00 0.00 0.75 0.00 0.00 35 Y 7.26 4.16 0.00 2.55 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 4.59 0.00 2.24 2.12 0.00 3.94 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 37 W 8.29 4.41 0.00 3.58 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 38 T 7.57 4.32 4.44 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 0.95 0.00 0.00 39 Q 8.19 4.32 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 40 R 7.83 3.82 0.00 1.72 1.60 0.00 3.06 0.00 0.00 2.69 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.46 0.00 41 F 7.77 4.40 0.00 2.62 2.46 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 0.00 0.00 0.00 0.00 42 F 8.06 4.52 0.00 2.80 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 0.00 0.00 0.00 0.00 43 A 8.42 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 44 S 8.21 4.51 0.00 4.14 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 0.00 45 F 8.63 4.32 0.00 3.21 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 46 G 7.58 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 47 N 8.80 4.39 0.00 2.72 2.80 0.00 0.00 6.59 7.78 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 48 L 8.41 4.88 0.00 1.73 1.59 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.91 4.27 0.00 3.95 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 S 7.52 4.58 0.00 4.06 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 51 A 8.46 3.95 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 52 N 8.13 4.38 0.00 2.75 2.89 0.00 0.00 7.01 7.54 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 53 A 7.88 4.03 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 54 I 8.01 3.83 2.00 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 1.52 0.70 0.87 0.00 0.00 55 L 7.96 4.13 0.00 1.61 1.64 0.89 0.80 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 56 H 7.45 4.90 0.00 3.14 3.31 0.00 5.65 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.82 4.56 0.00 2.99 2.87 0.00 0.00 7.05 8.50 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 58 A 8.63 3.99 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 59 K 8.05 3.79 0.00 1.56 1.36 0.00 1.34 0.00 0.00 0.75 0.00 0.00 2.70 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.30 1.06 7.81 60 V 8.29 3.86 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.12 0.00 0.00 61 L 7.97 3.97 0.00 1.91 1.70 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.20 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 63 H 8.93 4.36 0.00 3.56 3.82 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 8.57 3.66 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 65 Q 8.06 4.01 0.00 2.29 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 66 K 8.03 4.09 0.00 2.08 1.91 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.69 7.81 67 V 7.94 3.70 2.34 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 1.29 0.00 0.00 0.98 0.00 0.00 68 L 8.48 4.53 0.00 1.99 1.98 1.14 1.00 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 69 T 8.13 4.19 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 1.31 0.00 0.00 70 S 8.22 4.24 0.00 3.96 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 0.00 71 F 8.63 4.23 0.00 3.38 2.93 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 72 G 8.29 3.33 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 73 E 8.00 3.97 0.00 1.94 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 2.47 2.34 0.00 74 A 8.02 4.23 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.38 3.11 1.59 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 0.59 0.00 0.00 0.15 0.00 0.00 76 K 7.90 4.16 0.00 1.73 1.82 0.00 1.88 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.46 7.81 77 N 7.64 4.95 0.00 2.65 2.58 0.00 0.00 7.07 6.61 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 78 L 7.75 4.01 0.00 1.28 0.75 0.22 0.21 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 79 D 7.96 4.98 0.00 2.69 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 80 N 7.92 5.17 0.00 2.84 2.75 0.00 0.00 6.94 6.69 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 81 I 8.23 3.87 1.97 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.18 0.92 0.00 0.00 82 K 8.22 3.91 0.00 1.79 1.91 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.55 7.81 83 K 8.01 4.17 0.00 1.99 2.05 0.00 1.61 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.70 1.48 7.81 84 T 7.98 3.80 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 0.68 0.00 0.00 85 F 7.88 4.51 0.00 3.00 2.94 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 86 A 7.77 4.02 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 87 Q 7.95 3.93 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 88 L 7.87 4.08 0.00 1.91 1.80 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.35 4.04 0.00 4.03 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 90 E 8.17 3.90 0.00 2.09 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 0.00 2.28 2.27 0.00 91 L 7.90 3.89 0.00 1.79 1.83 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.53 4.25 0.00 3.33 3.59 0.00 5.85 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 8.11 4.24 0.00 3.08 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 94 E 8.01 3.87 0.00 1.94 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 1.86 2.16 0.00 95 K 7.95 4.15 0.00 1.67 2.01 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.43 7.81 96 L 7.89 4.26 0.00 1.81 1.67 0.75 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.89 4.22 0.00 3.40 3.42 0.00 5.74 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.94 3.74 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 0.39 0.00 0.00 0.11 0.00 0.00 99 D 8.60 4.36 0.00 2.71 2.48 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 0.00 100 P 0.00 2.97 0.00 2.07 2.05 0.00 3.54 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 2.06 2.08 0.00 101 E 8.48 3.89 0.00 2.04 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 2.27 2.39 0.00 102 N 8.10 4.49 0.00 2.77 2.90 0.00 0.00 6.95 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 7.63 4.54 0.00 3.15 2.94 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 0.00 104 K 8.09 4.07 0.00 1.92 2.03 0.00 1.68 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.64 7.81 105 L 7.78 3.96 0.00 1.78 1.25 0.63 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.30 4.17 0.00 1.91 2.00 1.01 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.31 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 0.00 108 N 8.36 4.49 0.00 3.03 2.98 0.00 0.00 7.06 7.50 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 0.00 109 I 7.96 3.74 2.10 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.99 0.94 0.00 0.00 110 L 8.14 3.82 0.00 1.55 1.68 0.73 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.79 3.69 2.14 0.00 0.00 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 1.91 1.32 1.20 0.00 0.00 112 I 7.73 3.72 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.89 0.00 0.00 113 V 7.90 3.48 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 0.84 0.00 0.00 0.88 0.00 0.00 114 L 7.84 3.77 0.00 0.89 0.79 -0.12 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 115 A 6.95 3.80 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 0.00 116 T 7.52 3.94 4.17 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 1.22 0.00 0.00 117 H 7.66 4.19 0.00 2.83 2.43 0.00 5.61 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 7.97 4.92 0.00 3.14 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 0.00 119 P 0.00 4.34 0.00 2.06 2.15 0.00 3.65 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 120 K 8.17 4.24 0.00 1.84 1.93 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.44 7.81 121 E 8.31 4.20 0.00 2.11 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 2.42 2.48 0.00 122 F 8.17 4.59 0.00 3.10 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 0.00 123 T 7.27 4.22 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 1.25 0.00 0.00 124 P 0.00 4.07 0.00 2.11 2.10 0.00 3.54 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 125 A 7.68 3.79 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 0.00 126 S 7.08 3.19 0.00 3.61 3.72 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 0.00 127 Q 7.78 3.40 0.00 1.36 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 128 A 7.98 3.96 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 0.00 129 A 7.78 4.13 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 0.00 130 W 8.56 4.10 0.00 3.77 3.51 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 0.00 131 T 8.62 4.08 4.47 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 1.33 0.00 0.00 132 K 8.31 3.94 0.00 1.97 2.18 0.00 1.35 0.00 0.00 1.00 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.65 1.12 7.81 133 L 8.25 4.22 0.00 1.78 1.90 1.13 0.55 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 0.00 134 V 8.38 4.04 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.23 0.00 0.00 135 N 8.52 4.45 0.00 2.91 2.88 0.00 0.00 6.80 7.21 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 0.00 136 A 8.04 3.99 1.48 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 0.00 137 V 7.91 2.89 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 -0.10 0.00 0.00 0.49 0.00 0.00 138 A 8.07 3.89 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 0.00 139 H 8.61 4.08 0.00 3.34 3.47 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 0.00 140 A 7.95 4.01 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 0.00 141 L 7.61 3.95 0.00 1.22 0.73 0.14 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.01 4.46 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 0.00 143 L 7.88 4.06 0.00 1.82 1.76 0.93 0.86 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 0.00 144 G 7.77 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 0.00 145 Y 7.33 5.13 0.00 2.90 2.92 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 0.00 146 H 8.15 4.13 0.00 3.01 3.08 0.00 5.84 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