NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.5358 8.4093 118.1632 53.6473 38.5128 174.6457 2 Y 3.7444 8.7668 124.5955 58.0676 38.3639 169.4333 3 D 4.6340 8.3031 120.2114 55.9946 42.7984 177.2970 4 P 4.3723 0.0000 0.0000 64.5814 31.7675 176.8014 5 F 5.1003 7.2524 110.1933 54.8968 39.9925 174.2585 6 V 4.1615 8.2215 121.4772 60.7342 32.1408 175.0922 7 R 5.3724 8.5033 125.1431 53.9954 32.6071 174.5740 8 H 4.9398 8.7178 121.4871 53.6042 31.9691 173.4939 9 S 5.0823 8.5796 116.9444 56.5061 65.3829 173.3506 10 V 4.4800 8.3765 124.3343 60.9465 34.4216 173.9722 11 T 4.8773 8.6259 118.1877 60.2008 70.3832 173.8005 12 V 4.3282 8.6131 127.2153 60.5428 33.7327 175.9844 13 K 4.7618 8.7129 127.6837 56.4058 33.3341 176.8166 14 A 4.3725 7.8162 120.0341 51.5370 20.7787 177.7243 15 D 4.5297 6.0500 115.6123 50.2778 44.5344 176.7482 16 R 3.8855 8.3133 119.2114 59.4510 29.9189 178.4172 17 K 4.1109 8.0961 118.1496 59.1819 32.3145 179.1576 18 T 4.0839 8.0021 110.2313 64.4312 68.8237 176.9173 19 A 4.2665 8.0114 123.4297 54.9718 18.3845 179.3798 20 F 4.2196 8.1854 119.1513 61.2173 39.4019 177.7110 21 K 4.0763 8.1842 118.3606 59.2173 31.6447 179.2449 22 T 4.0879 7.8458 108.9446 64.1211 69.1212 176.4475 23 F 4.5568 8.1233 119.4554 58.4246 39.3227 176.1397 24 L 4.4262 7.7019 118.4718 55.2652 43.7206 176.6451 25 E 4.2541 8.1726 115.9624 56.4583 31.0919 175.7150 26 G 3.7631 7.9843 107.9601 44.1080 0.0000 172.2803 27 F 2.9283 8.2121 127.6076 58.2025 40.8228 175.1994 28 P 4.4383 0.0000 0.0000 64.1550 31.3718 176.7543 29 E 4.2692 7.7581 114.7546 56.7819 30.1439 176.7366 30 W 4.8139 7.7711 120.3191 56.4058 29.9724 175.8759 31 W 4.1847 8.8408 121.4222 56.6406 29.8735 174.7234 32 P 4.0299 0.0000 0.0000 65.3301 30.7179 176.0498 33 N 4.8609 8.0411 119.3728 52.2859 41.1394 174.8200 34 N 4.8127 8.1117 115.2465 51.6702 36.6179 173.9192 35 F 4.2801 8.6114 123.7225 58.8896 40.4533 177.1897 36 R 4.4688 7.8591 117.8724 55.3813 31.2450 175.5430 37 T 4.9759 8.4092 109.1549 60.9219 70.8768 174.1818 38 T 4.0264 8.7531 117.4045 62.3094 68.1112 173.2294 39 K 4.3622 7.8985 119.6796 57.7170 33.0555 177.7779 40 V 4.4584 8.2887 116.7165 57.5379 30.9325 173.5778 41 G 3.1059 7.5074 108.5916 45.4768 0.0000 170.6773 42 A 4.9296 7.7917 129.4867 49.4733 21.4985 175.6481 43 P 4.3252 0.0000 0.0000 64.7518 31.5990 177.1348 44 L 4.0234 7.6092 116.4408 51.7250 42.7917 176.7215 45 G 3.4095 7.1140 114.8324 45.1630 0.0000 173.2944 46 V 4.2249 7.1178 118.0112 60.1623 33.7012 174.1396 47 D 4.7873 8.4754 127.4675 52.4193 41.6124 177.2657 48 K 4.1289 8.4815 124.4707 58.5101 33.3804 178.5409 49 K 4.1374 8.1977 118.6942 58.7647 32.9520 177.6563 50 G 3.8139 8.2473 106.0939 46.4395 0.0000 173.4588 51 G 4.3166 8.7984 108.8710 45.1979 0.0000 172.4919 52 R 4.8650 8.1925 114.6794 54.6297 34.0450 176.1318 53 W 5.0719 8.8503 121.4141 56.0249 29.9584 175.4725 54 Y 4.8036 8.7747 122.5316 56.4481 41.9982 174.0684 55 E 4.5190 8.9646 123.1318 54.7354 32.2246 175.1051 56 I 4.2441 8.2208 124.8527 60.0539 37.9635 174.8102 57 D 5.0433 8.1841 125.2776 51.9014 43.3733 175.8352 58 E 4.1527 8.6479 118.6203 58.1044 29.9118 177.5866 59 Q 4.4974 7.7533 116.4650 55.6953 31.8232 177.6218 60 G 4.2632 7.2046 108.9336 46.2742 0.0000 174.2607 61 E 5.1551 9.2778 118.3682 54.5675 32.4611 174.7835 62 E 4.9789 8.2948 123.1248 54.1279 32.9392 175.0176 63 H 4.1022 8.9009 115.0791 57.0993 28.5032 174.6770 64 T 4.5500 8.1233 114.1476 60.1427 70.1658 173.8779 65 F 3.6673 8.4546 124.5036 57.7847 40.1044 176.7853 66 G 4.7071 6.0230 107.5285 45.4685 0.0000 172.7396 67 L 5.0054 7.7937 123.7832 54.0831 44.0134 175.0728 68 I 4.6470 8.1511 121.8912 61.0840 37.5808 175.9126 69 R 4.3806 8.7825 126.4448 58.1184 31.2493 177.4480 70 K 4.6141 7.9178 117.0873 54.9257 36.6667 175.9134 71 V 4.5769 8.6751 117.8589 59.5681 33.3241 174.0750 72 D 4.7844 8.7617 124.8178 52.4548 42.9135 176.1913 73 E 3.6305 8.7003 121.4647 55.7820 30.2303 174.4952 74 P 3.7428 0.0000 0.0000 63.3522 30.4910 176.4263 75 D 4.8438 7.9248 120.3181 55.4067 43.2578 176.3352 76 T 5.0287 7.9399 108.0223 59.7241 71.9353 172.7513 77 L 5.1958 8.8705 126.7363 53.2150 46.1459 174.9658 78 V 5.0226 8.8672 125.6363 61.1760 34.1918 174.1724 79 I 5.1463 8.7856 120.7047 59.0880 41.4415 174.5043 80 G 4.3661 9.1736 110.1274 44.3430 0.0000 171.9731 81 W 5.4244 8.6621 122.4280 54.8394 32.2609 175.3070 82 R 4.7911 7.8717 121.3401 54.5094 31.9861 175.7183 83 L 4.6365 8.2499 120.5713 54.1831 42.6207 175.5138 84 N 4.9579 8.2327 117.4191 51.9337 41.2080 175.1572 85 G 4.0208 7.7940 108.2230 45.4641 0.0000 170.1670 86 F 4.5802 8.4130 113.2385 57.6073 42.9141 175.5849 87 G 4.2014 7.8923 110.3428 44.2437 0.0000 169.9576 88 R 4.7038 7.4331 115.3165 53.9471 32.9821 175.9625 89 I 4.0353 7.9914 117.4670 60.2542 38.6521 175.2132 90 D 4.5020 8.3242 124.1706 52.2857 39.9081 174.5091 91 P 4.3251 0.0000 0.0000 63.4528 31.6094 176.0272 92 D 4.8017 8.4666 119.9519 54.0701 43.3322 176.7534 93 N 4.3914 8.3197 116.0882 55.3941 38.9967 172.4082 94 S 3.4434 7.8266 114.8624 58.2667 63.1559 171.5089 95 S 4.3015 7.9734 123.2556 57.2315 63.6212 173.1255 96 E 4.4368 7.9423 125.1621 55.5003 30.5391 176.3704 97 F 5.1378 8.8898 122.5010 56.0335 43.5216 174.0450 98 T 4.6857 8.6100 120.0568 62.1514 70.3249 173.8803 99 V 4.3284 8.7189 128.5399 61.7364 33.2231 174.5879 100 T 4.9095 8.4009 118.5604 59.9540 71.0897 172.9751 101 F 4.9322 8.5552 124.6642 55.7325 40.9696 175.3810 102 V 4.4547 8.5678 122.9018 61.0206 34.0246 173.7716 103 A 4.9444 8.7305 129.6812 50.4337 20.9453 175.5522 104 D 4.5184 8.8825 122.9730 52.8269 43.3738 176.6505 105 G 3.8577 9.1355 110.9346 45.5603 0.0000 173.3005 106 Q 3.6559 8.2846 115.4776 55.9340 26.4725 173.7767 107 K 4.8469 7.5630 116.6871 55.8340 35.2333 176.6191 108 K 4.9079 8.1126 120.3672 54.4546 35.2754 175.4227 109 T 5.0769 8.9882 115.0828 59.9808 71.8598 172.9229 110 R 4.9428 8.7966 126.0926 54.2152 32.7499 175.2678 111 V 4.5520 8.2247 124.4648 59.6275 33.9234 174.3716 112 D 5.7294 8.4009 124.4657 50.4481 42.3228 174.8650 113 V 4.7843 8.2872 122.4904 61.1465 33.8474 173.9498 114 E 5.2312 8.8552 126.7994 55.0607 32.6482 174.2024 115 H 4.9545 8.4891 118.9625 54.9848 34.0856 173.5380 116 T 4.8797 8.2129 113.8103 61.6301 68.9886 173.6065 117 H 4.6161 8.5614 120.0535 58.9272 32.3041 173.8823 118 F 4.4526 8.4391 115.8845 59.1992 38.1479 176.9117 119 D 4.6803 8.3120 120.0768 55.8862 39.7591 178.6227 120 R 4.3018 8.1963 118.2802 58.8208 30.3133 176.3456 121 M 4.6133 7.2104 113.5805 55.0780 32.5754 177.5454 122 G 4.2161 7.7001 120.1073 45.1650 0.0000 173.5791 123 T 3.6673 8.7656 119.4773 64.7110 67.8552 174.1733 124 K 4.0626 7.6937 119.5897 60.3678 33.1931 178.8588 125 H 4.2641 8.2440 116.4909 57.9769 28.6657 177.4343 126 A 3.9924 7.9663 122.4795 54.9646 18.2107 179.6264 127 K 4.0043 7.7561 115.6962 59.3102 32.1840 179.5178 128 R 4.1452 7.6457 118.3432 58.7021 30.3902 178.7144 129 V 3.8626 7.6724 117.9612 63.6758 31.5679 178.3083 130 R 3.9883 7.5315 118.2460 58.7131 29.8747 177.3692 131 N 4.5982 8.1872 115.2839 54.8058 39.1281 176.0099 132 G 3.9485 7.9050 104.4615 46.6134 0.0000 173.9292 133 M 4.2339 8.1204 119.4772 57.6581 32.2183 177.5855 134 D 4.7453 8.0554 115.8170 55.0274 41.3782 176.7500 135 K 4.4038 8.0045 117.4237 56.3097 33.2727 175.9831 136 G 3.9851 7.6459 105.0361 46.6356 0.0000 174.9518 137 W 4.2160 8.5051 129.7175 59.3954 29.8965 176.6533 138 P 4.1407 0.0000 0.0000 65.9146 30.6175 178.2468 139 T 4.1682 7.7697 109.1104 64.3082 69.0179 176.5926 140 I 3.1387 7.4718 121.5039 63.4952 37.8003 177.9068 141 L 3.8074 7.2582 119.4788 57.7130 41.2588 179.4446 142 Q 4.0050 7.4007 118.3728 58.7965 28.7676 178.6393 143 S 4.2219 7.7536 115.8028 61.1230 62.9289 176.6037 144 F 4.4410 8.0173 120.8792 60.3095 37.4730 177.6026 145 Q 4.0454 8.0161 119.1469 59.2446 28.6266 177.9019 146 D 4.5824 7.7866 118.9054 56.7175 40.7585 178.3625 147 K 4.1261 8.0727 120.2527 59.2977 32.1199 178.5136 148 I 4.1302 7.4631 118.8113 62.3246 37.5401 177.3937 149 D 4.5389 7.6047 117.7001 56.9006 40.6435 177.9968 150 E 4.1993 7.7990 118.1242 58.2467 29.5244 178.5396 151 E 4.2120 8.2660 118.2462 58.6564 29.8856 178.2600 152 G 4.1808 7.9183 102.1369 45.6581 0.0000 173.1555 153 A 4.5456 8.1193 121.4704 53.1571 21.0256 177.6000 154 K 4.2575 8.1500 113.6670 57.8912 33.0230 177.0420 155 K 4.1788 7.4605 119.9526 56.4142 32.2041 175.9898 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 N 8.41 4.54 0.00 2.75 2.80 0.00 0.00 5.39 6.37 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 2 Y 8.77 3.74 0.00 3.30 3.23 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 3 D 8.30 4.63 0.00 2.55 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 4 P 0.00 4.37 0.00 1.29 1.88 0.00 3.29 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.85 0.00 5 F 7.25 5.10 0.00 3.01 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 6 V 8.22 4.16 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 0.89 0.00 0.00 0.88 0.00 0.00 7 R 8.50 5.37 0.00 1.82 1.92 0.00 3.17 0.00 0.00 3.85 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 8 H 8.72 4.94 0.00 2.93 3.02 0.00 5.55 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.58 5.08 0.00 3.77 3.77 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 0.00 0.00 0.00 10 V 8.38 4.48 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 1.00 0.00 0.00 0.88 0.00 0.00 11 T 8.63 4.88 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 1.20 0.00 0.00 12 V 8.61 4.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.07 0.00 0.00 13 K 8.71 4.76 0.00 2.06 1.81 0.00 1.93 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.43 7.81 14 A 7.82 4.37 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 15 D 6.05 4.53 0.00 2.83 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 16 R 8.31 3.89 0.00 1.86 1.86 0.00 3.13 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.69 0.00 17 K 8.10 4.11 0.00 1.99 1.86 0.00 1.69 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.43 7.81 18 T 8.00 4.08 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 1.24 0.00 0.00 19 A 8.01 4.27 1.62 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 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.19 4.22 0.00 2.96 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 21 K 8.18 4.08 0.00 2.04 1.87 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.52 7.81 22 T 7.85 4.09 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 1.31 0.00 0.00 23 F 8.12 4.56 0.00 3.19 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 24 L 7.70 4.43 0.00 1.20 1.20 0.66 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.17 4.25 0.00 2.00 1.91 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 2.16 2.19 0.00 26 G 7.98 3.76 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 0.00 0.00 0.00 27 F 8.21 2.93 0.00 2.72 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 28 P 0.00 4.44 0.00 2.06 2.09 0.00 3.62 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.25 0.00 29 E 7.76 4.27 0.00 2.09 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 2.10 2.24 0.00 30 W 7.77 4.81 0.00 3.44 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 31 W 8.84 4.18 0.00 3.11 3.15 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 32 P 0.00 4.03 0.00 2.09 2.01 0.00 3.91 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 1.99 1.90 0.00 33 N 8.04 4.86 0.00 2.72 2.92 0.00 0.00 6.82 8.01 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 34 N 8.11 4.81 0.00 3.23 3.03 0.00 0.00 6.12 7.83 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 35 F 8.61 4.28 0.00 2.93 2.97 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 36 R 7.86 4.47 0.00 1.85 1.89 0.00 3.20 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 37 T 8.41 4.98 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 1.24 0.00 0.00 38 T 8.75 4.03 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 1.22 0.00 0.00 39 K 7.90 4.36 0.00 1.79 1.92 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.55 7.81 40 V 8.29 4.46 2.18 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 0.81 0.00 0.00 1.04 0.00 0.00 41 G 7.51 3.11 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 42 A 7.79 4.93 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 43 P 0.00 4.33 0.00 2.01 2.10 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 44 L 7.61 4.02 0.00 1.50 1.38 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 45 G 7.11 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 46 V 7.12 4.22 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 -0.10 0.00 0.00 0.96 0.00 0.00 47 D 8.48 4.79 0.00 2.94 2.56 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 0.00 48 K 8.48 4.13 0.00 1.85 1.87 0.00 1.57 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.39 7.81 49 K 8.20 4.14 0.00 1.88 1.97 0.00 1.49 0.00 0.00 1.69 0.00 0.00 3.15 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.42 7.81 50 G 8.25 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 0.00 0.00 0.00 0.00 51 G 8.80 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 0.00 0.00 0.00 0.00 52 R 8.19 4.86 0.00 1.95 2.09 0.00 3.04 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 53 W 8.85 5.07 0.00 3.02 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 54 Y 8.77 4.80 0.00 2.85 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 55 E 8.96 4.52 0.00 1.86 1.79 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 2.03 2.12 0.00 56 I 8.22 4.24 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.75 0.88 0.00 0.00 57 D 8.18 5.04 0.00 2.62 2.56 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 0.00 58 E 8.65 4.15 0.00 2.11 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 2.28 2.29 0.00 59 Q 7.75 4.50 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.10 0.00 0.00 0.00 0.00 0.00 2.45 2.28 0.00 60 G 7.20 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 0.00 0.00 0.00 0.00 61 E 9.28 5.16 0.00 1.86 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.20 0.00 62 E 8.29 4.98 0.00 1.79 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 0.00 2.26 2.60 0.00 63 H 8.90 4.10 0.00 2.99 3.23 0.00 5.66 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 64 T 8.12 4.55 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 1.01 0.00 0.00 65 F 8.45 3.67 0.00 1.68 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 66 G 6.02 4.71 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 0.00 0.00 0.00 67 L 7.79 5.01 0.00 1.79 1.77 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.15 4.65 1.93 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.75 1.02 0.00 0.00 69 R 8.78 4.38 0.00 1.77 2.02 0.00 3.31 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 70 K 7.92 4.61 0.00 1.70 1.69 0.00 1.64 0.00 0.00 1.85 0.00 0.00 2.83 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.50 7.81 71 V 8.68 4.58 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 0.77 0.00 0.00 0.95 0.00 0.00 72 D 8.76 4.78 0.00 2.55 2.57 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 73 E 8.70 3.63 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 74 P 0.00 3.74 0.00 1.63 1.49 0.00 3.27 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.65 0.00 75 D 7.92 4.84 0.00 2.61 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 5.03 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 1.26 0.00 0.00 77 L 8.87 5.20 0.00 1.96 1.66 1.16 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.87 5.02 2.16 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 1.13 0.00 0.00 1.00 0.00 0.00 79 I 8.79 5.15 2.41 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.69 1.46 0.00 0.00 80 G 9.17 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 0.00 0.00 0.00 0.00 81 W 8.66 5.42 0.00 2.93 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 82 R 7.87 4.79 0.00 1.41 1.65 0.00 2.99 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.44 0.00 83 L 8.25 4.64 0.00 1.71 1.63 0.92 0.71 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 84 N 8.23 4.96 0.00 2.61 2.64 0.00 0.00 6.56 7.49 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 85 G 7.79 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 86 F 8.41 4.58 0.00 2.90 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 87 G 7.89 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 0.00 0.00 0.00 0.00 88 R 7.43 4.70 0.00 1.88 1.95 0.00 3.08 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 1.50 1.65 0.00 89 I 7.99 4.04 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 1.48 0.69 0.92 0.00 0.00 90 D 8.32 4.50 0.00 2.82 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.33 0.00 2.03 2.01 0.00 3.59 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 92 D 8.47 4.80 0.00 2.62 2.66 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 93 N 8.32 4.39 0.00 2.75 2.90 0.00 0.00 7.02 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 94 S 7.83 3.44 0.00 3.83 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.97 4.30 0.00 3.53 3.19 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 96 E 7.94 4.44 0.00 1.45 1.63 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 2.15 2.01 0.00 97 F 8.89 5.14 0.00 2.74 2.66 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 98 T 8.61 4.69 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 1.28 0.00 0.00 99 V 8.72 4.33 2.16 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 0.73 0.00 0.00 1.06 0.00 0.00 100 T 8.40 4.91 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 1.24 0.00 0.00 101 F 8.56 4.93 0.00 3.08 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 0.00 102 V 8.57 4.45 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 0.97 0.00 0.00 0.96 0.00 0.00 103 A 8.73 4.94 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.88 4.52 0.00 2.58 2.59 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 0.00 105 G 9.14 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 0.00 106 Q 8.28 3.66 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 107 K 7.56 4.85 0.00 1.82 1.90 0.00 1.55 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.22 7.81 108 K 8.11 4.91 0.00 1.85 1.73 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.35 7.81 109 T 8.99 5.08 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 1.35 0.00 0.00 110 R 8.80 4.94 0.00 1.79 1.85 0.00 3.08 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 111 V 8.22 4.55 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 0.51 0.00 0.00 -0.15 0.00 0.00 112 D 8.40 5.73 0.00 2.67 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.29 4.78 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 0.88 0.00 0.00 0.86 0.00 0.00 114 E 8.86 5.23 0.00 1.94 1.79 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 2.20 2.21 0.00 115 H 8.49 4.95 0.00 3.40 3.47 0.00 5.53 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 T 8.21 4.88 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 1.28 0.00 0.00 117 H 8.56 4.62 0.00 3.12 3.30 0.00 5.91 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.44 4.45 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.31 4.68 0.00 3.00 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 0.00 120 R 8.20 4.30 0.00 1.84 2.05 0.00 3.19 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 121 M 7.21 4.61 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 122 G 7.70 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 0.00 123 T 8.77 3.67 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 1.25 0.00 0.00 124 K 7.69 4.06 0.00 1.98 2.07 0.00 1.52 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.61 7.81 125 H 8.24 4.26 0.00 3.41 3.42 0.00 5.81 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 0.00 126 A 7.97 3.99 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 0.00 127 K 7.76 4.00 0.00 1.94 1.89 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.50 7.81 128 R 7.65 4.15 0.00 1.84 1.97 0.00 3.12 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 129 V 7.67 3.86 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 0.91 0.00 0.00 0.92 0.00 0.00 130 R 7.53 3.99 0.00 1.95 2.03 0.00 3.12 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 131 N 8.19 4.60 0.00 2.76 2.91 0.00 0.00 6.72 7.72 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 0.00 132 G 7.91 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 0.00 133 M 8.12 4.23 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 134 D 8.06 4.75 0.00 2.85 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 8.00 4.40 0.00 1.73 1.84 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.42 7.81 136 G 7.65 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 W 8.51 4.22 0.00 3.45 3.40 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 0.00 138 P 0.00 4.14 0.00 2.31 2.36 0.00 4.02 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.12 0.00 139 T 7.77 4.17 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 1.19 0.00 0.00 140 I 7.47 3.14 1.78 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.27 0.42 0.00 0.00 141 L 7.26 3.81 0.00 1.40 1.46 -0.45 0.66 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 0.00 142 Q 7.40 4.01 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 143 S 7.75 4.22 0.00 3.78 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 0.00 144 F 8.02 4.44 0.00 2.81 2.77 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 0.00 0.00 0.00 145 Q 8.02 4.05 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 146 D 7.79 4.58 0.00 2.78 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 0.00 147 K 8.07 4.13 0.00 2.21 1.84 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.13 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.51 7.81 148 I 7.46 4.13 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.98 0.00 0.00 149 D 7.60 4.54 0.00 2.96 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 0.00 150 E 7.80 4.20 0.00 1.83 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 2.29 2.33 0.00 151 E 8.27 4.21 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 152 G 7.92 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 A 8.12 4.55 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 0.00 154 K 8.15 4.26 0.00 1.94 1.86 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.39 7.81 155 K 7.46 4.18 0.00 1.96 1.66 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.32 7.81