NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3660 8.0333 117.3309 63.4050 70.7144 172.6021 2 E 4.5609 8.7784 125.4130 55.2328 29.8963 174.9085 3 L 4.5606 8.5793 125.9726 54.1988 44.0793 175.9687 4 T 4.4297 7.9334 110.1093 60.1121 71.3866 175.8147 5 K 3.1522 8.5512 121.9875 59.8366 32.0633 179.3602 6 C 4.2195 7.9906 116.1883 59.5265 35.2032 175.8573 7 K 3.8156 7.6899 121.0918 59.3938 31.8702 178.9738 8 V 3.4320 7.3835 118.3892 66.0708 29.9234 177.8075 9 S 4.1201 8.1827 115.2120 62.3566 62.5325 176.7902 10 H 4.5260 8.0904 116.8914 58.6601 28.4463 177.5046 11 A 4.1837 7.8003 122.1969 54.0313 18.4460 178.6170 12 I 4.1810 7.3932 109.2630 60.6456 37.8537 177.5636 13 K 3.8970 7.3843 120.6445 60.1122 32.0467 177.3607 14 D 4.6734 7.9764 115.0349 54.5370 41.3166 175.8657 15 I 4.1365 8.2013 117.9346 61.0706 39.0919 174.5938 16 D 4.6032 7.5696 120.1412 56.5162 41.3489 176.3982 17 G 4.1362 9.4074 115.6479 45.7520 0.0000 172.8454 18 Y 4.3705 7.9395 121.3560 59.2486 39.1400 175.6484 19 Q 3.0808 9.1676 124.8782 56.6365 27.7410 174.2616 20 G 3.9400 8.3156 104.6152 45.0145 0.0000 174.0364 21 I 4.1310 7.7975 122.2270 60.4851 37.6967 176.2102 22 S 5.0915 9.3984 121.7793 57.3542 65.3933 175.2145 23 L 4.1723 8.6439 121.9194 58.1407 41.2425 179.9668 24 L 4.1734 8.0359 118.3189 57.9350 41.6311 179.3385 25 E 3.9486 8.0159 117.7689 59.1819 29.4214 179.4278 26 W 4.0258 8.2688 118.8269 59.5939 29.1951 178.4266 27 A 4.2478 8.4730 121.0833 55.2069 17.8004 178.8917 28 C 2.0000 7.4479 116.4905 58.8368 44.6493 175.5956 29 V 3.4390 7.7838 120.1098 66.2703 30.9205 177.9957 30 L 3.9174 8.3482 118.7114 57.5935 41.4324 179.2355 31 F 2.7667 7.5960 120.1738 61.1965 39.1128 176.5435 32 H 4.3840 7.7275 112.6196 57.4072 28.7312 176.9884 33 T 4.3753 7.5031 117.5990 64.9571 69.4056 175.5831 34 S 4.4278 7.8653 111.2298 56.7030 64.8095 174.3871 35 G 3.2988 7.7480 108.2354 46.8609 0.0000 174.0549 36 Y 3.6857 7.5679 113.5552 58.2517 35.7852 169.1729 37 D 5.0331 7.7691 121.3470 53.2997 40.4280 177.0338 38 T 3.9846 8.8052 119.0273 64.0335 68.7509 175.6491 39 Q 4.5913 9.1443 120.4327 55.3142 29.2683 175.3003 40 A 4.1386 8.0153 121.8316 52.3734 19.5667 177.5989 41 V 4.5095 8.2392 121.0794 61.2670 34.5424 174.5419 42 V 4.3103 8.5128 128.4292 60.9722 34.1944 173.5269 43 N 5.4812 8.6480 126.7532 51.8829 40.7200 173.1078 44 D 4.5396 8.8554 123.9577 53.3915 42.4378 174.6720 45 N 3.8720 9.2254 117.6823 54.9592 36.9479 174.5770 46 G 3.8607 8.7757 101.4205 45.4054 0.0000 173.8771 47 S 4.5458 7.4772 111.4534 56.8110 67.1137 172.8148 48 T 4.9461 9.2479 117.2684 61.8735 71.9581 172.7892 49 E 5.2289 9.2033 125.7849 55.1742 31.8916 174.6788 50 Y 5.0538 9.1152 121.5173 57.2944 41.9264 177.7791 51 G 4.4552 8.9876 111.2767 43.8488 0.0000 173.1836 52 L 4.1477 8.8074 118.8640 57.4888 41.7222 179.0892 53 F 4.6590 8.4093 112.9240 57.2458 39.8941 175.1795 54 Q 3.6234 8.1015 119.3834 57.0429 26.6066 174.2986 55 I 4.1539 8.1825 118.7783 61.1453 38.6778 177.6688 56 S 5.1928 9.1660 122.5821 58.3541 63.4173 174.0131 57 D 5.0556 9.1106 123.8693 53.9809 39.9366 178.3284 58 R 3.7627 7.8979 120.1229 59.0364 30.3490 177.0637 59 F 4.8487 7.6651 109.8338 57.6318 43.0127 176.6951 60 W 4.4093 7.9294 119.1836 58.5355 29.4132 173.6019 61 C 5.3898 7.8768 109.8560 53.3644 45.4970 173.5007 62 K 4.5508 8.6953 122.1644 55.5984 32.8477 175.5818 63 S 5.1669 8.5518 121.8792 56.2993 65.6786 175.4861 64 S 4.2998 8.8622 116.2973 61.1164 63.3187 175.5893 65 E 4.1153 8.4307 118.7105 58.6098 30.4179 177.0880 66 F 5.1253 8.0070 120.3895 56.4978 39.1665 174.3297 67 P 4.1952 0.0000 0.0000 65.5768 31.9548 177.0301 68 E 4.4827 7.1598 118.8489 54.8215 30.3188 174.2323 69 S 4.5730 7.4061 116.6916 56.5316 66.0370 174.4300 70 E 3.9612 8.7542 118.0628 57.5568 29.9706 175.9825 71 N 4.1446 7.8355 117.1691 53.7919 37.9031 175.3734 72 I 3.6338 7.8564 119.4418 64.8840 37.6867 177.6014 73 C 4.4366 8.8035 116.7590 57.7136 40.3790 173.4711 74 G 3.7337 8.7755 107.5713 45.8725 0.0000 173.1952 75 I 4.5138 7.0317 114.9050 59.0096 41.7885 173.3393 76 S 4.7178 8.4349 120.0047 57.8633 63.1923 175.7753 77 C 4.0938 8.7359 125.4010 60.1591 37.8456 175.9612 78 D 4.2781 7.8578 119.0535 56.2270 40.2527 178.1582 79 K 4.1770 8.1917 118.9104 58.2097 31.7320 177.2600 80 L 4.8438 7.5565 118.6389 54.0507 41.5758 177.2897 81 L 5.1106 7.7374 116.0117 54.3093 42.8253 175.8838 82 D 5.1944 7.9615 119.6354 52.1012 41.7827 175.3784 83 D 4.6191 8.6041 118.6251 54.6878 41.1277 176.4044 84 E 4.3896 8.0535 120.3224 55.2429 28.9063 176.7180 85 L 4.5429 8.1762 125.6222 55.2026 41.9792 178.6173 86 D 4.3264 8.0391 119.9261 57.4392 40.8567 178.1891 87 D 4.3122 7.9987 118.9442 56.5060 39.0652 177.8184 88 D 4.3021 8.1359 119.9440 57.2872 40.8574 178.9756 89 I 3.0717 7.8333 119.8274 64.0635 36.5730 178.2524 90 A 3.8295 8.1808 122.0395 55.2002 18.1007 178.9669 91 C 4.1359 8.6303 116.8670 59.7830 42.0519 175.3203 92 A 3.8563 7.7387 122.7539 55.3799 17.6759 179.7087 93 K 3.9852 7.9087 116.6109 59.5126 31.9538 179.6812 94 K 4.0518 7.6375 117.9023 59.5289 32.0110 179.3371 95 I 3.1505 7.6504 119.9826 64.2599 36.9764 178.4430 96 L 4.2289 8.8329 119.8397 57.9929 41.2989 179.5596 97 A 4.1169 8.5502 119.9340 54.4845 18.3502 179.1895 98 I 4.1056 7.8860 117.8321 63.6279 37.9402 177.4962 99 K 4.3487 8.5032 118.9883 56.2222 33.1885 176.4904 100 G 4.2109 8.0459 103.8371 45.0276 0.0000 173.6400 101 I 3.9743 8.2868 117.3846 64.0440 37.8688 177.1039 102 D 4.6728 8.1336 118.1985 56.0573 40.8000 176.5927 103 Y 3.8270 7.8613 120.4816 59.6517 38.9557 175.7490 104 W 4.4315 8.7496 121.3476 55.1380 28.1502 177.0370 105 K 4.1524 8.3559 123.4720 58.5592 31.9313 178.5807 106 A 4.1459 8.0884 120.9649 54.5914 18.4019 178.5613 107 Y 4.0509 8.0051 118.6890 60.7894 38.6180 178.2609 108 K 3.6002 7.9931 119.1380 58.8360 32.6202 176.1455 109 P 4.3334 0.0000 0.0000 65.4249 31.4309 176.8787 110 M 4.3925 7.6534 115.6704 55.4591 32.6884 175.7474 111 C 5.0194 7.6849 115.6114 56.7723 41.2108 175.0626 112 S 4.0270 8.0610 116.7189 59.3281 63.1761 173.5620 113 E 4.5615 7.6385 116.1130 55.2811 32.6804 174.3276 114 K 3.8383 8.4119 115.5507 57.6611 29.2790 176.1009 115 L 4.6493 7.5882 119.6883 57.0512 43.0997 179.3538 116 E 4.0085 8.4548 119.4804 59.2201 29.5520 178.7845 117 Q 3.8671 7.9018 115.4085 58.6463 28.5771 177.2785 118 W 4.3821 8.2386 116.9947 57.7024 29.4121 176.6322 119 R 4.0438 7.6958 119.4999 56.1720 30.0055 174.9853 120 C 4.8297 8.4872 123.7246 54.7867 44.2734 173.5473 121 E 3.8568 8.6827 127.4221 58.1313 29.5302 177.7245 122 K 4.0299 7.9147 120.6136 55.6696 32.6988 174.5958 123 P 4.4312 0.0000 0.0000 62.8889 31.2325 176.1411 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 T 8.03 4.37 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 1.23 0.00 0.00 2 E 8.78 4.56 0.00 1.98 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 0.00 2.32 2.44 0.00 3 L 8.58 4.56 0.00 1.47 1.51 0.89 0.70 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 4 T 7.93 4.43 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 1.22 0.00 0.00 5 K 8.55 3.15 0.00 2.09 1.89 0.00 2.15 0.00 0.00 2.09 0.00 0.00 2.97 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.61 1.89 7.81 6 C 7.99 4.22 0.00 2.94 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 7 K 7.69 3.82 0.00 1.77 1.82 0.00 1.51 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.44 7.81 8 V 7.38 3.43 1.85 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 0.91 0.00 0.00 0.67 0.00 0.00 9 S 8.18 4.12 0.00 3.98 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 10 H 8.09 4.53 0.00 3.10 3.32 0.00 5.66 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.80 4.18 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 12 I 7.39 4.18 1.71 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 1.79 0.84 0.93 0.00 0.00 13 K 7.38 3.90 0.00 1.81 1.96 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.68 7.81 14 D 7.98 4.67 0.00 2.58 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 15 I 8.20 4.14 1.61 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.12 0.62 0.00 0.00 16 D 7.57 4.60 0.00 2.70 2.73 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 17 G 9.41 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 18 Y 7.94 4.37 0.00 3.04 3.06 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 19 Q 9.17 3.08 0.00 1.49 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.30 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 20 G 8.32 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 0.00 0.00 0.00 21 I 7.80 4.13 1.95 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.48 0.14 0.00 0.00 22 S 9.40 5.09 0.00 4.07 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 23 L 8.64 4.17 0.00 1.83 1.87 0.98 0.90 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 24 L 8.04 4.17 0.00 1.81 1.93 1.02 1.07 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 25 E 8.02 3.95 0.00 2.13 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 2.43 2.41 0.00 26 W 8.27 4.03 0.00 3.63 3.14 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 27 A 8.47 4.25 1.61 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 0.00 0.00 28 C 7.45 2.00 0.00 1.25 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 29 V 7.78 3.44 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 0.74 0.00 0.00 0.76 0.00 0.00 30 L 8.35 3.92 0.00 1.88 1.72 0.44 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 31 F 7.60 2.77 0.00 2.86 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 H 7.73 4.38 0.00 3.17 3.33 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.50 4.38 4.34 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 1.44 0.00 0.00 34 S 7.87 4.43 0.00 3.88 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 0.00 35 G 7.75 3.30 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 0.00 36 Y 7.57 3.69 0.00 3.26 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 37 D 7.77 5.03 0.00 2.70 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 38 T 8.81 3.98 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 1.23 0.00 0.00 39 Q 9.14 4.59 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.49 2.38 0.00 40 A 8.02 4.14 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.24 4.51 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 0.52 0.00 0.00 0.97 0.00 0.00 42 V 8.51 4.31 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 0.67 0.00 0.00 0.95 0.00 0.00 43 N 8.65 5.48 0.00 2.62 2.59 0.00 0.00 7.02 8.47 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 44 D 8.86 4.54 0.00 2.81 2.64 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 45 N 9.23 3.87 0.00 2.83 2.88 0.00 0.00 7.04 7.98 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 46 G 8.78 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 47 S 7.48 4.55 0.00 3.83 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 48 T 9.25 4.95 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 0.64 0.00 0.00 49 E 9.20 5.23 0.00 2.06 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 2.28 2.37 0.00 50 Y 9.12 5.05 0.00 2.95 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 51 G 8.99 4.46 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 0.00 52 L 8.81 4.15 0.00 1.56 1.60 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.41 4.66 0.00 3.26 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 54 Q 8.10 3.62 0.00 2.42 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.84 0.00 0.00 0.00 0.00 0.00 2.52 2.63 0.00 55 I 8.18 4.15 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.98 0.90 0.00 0.00 56 S 9.17 5.19 0.00 4.18 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 57 D 9.11 5.06 0.00 3.15 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 58 R 7.90 3.76 0.00 1.44 1.54 0.00 2.90 0.00 0.00 2.83 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.00 0.00 59 F 7.67 4.85 0.00 1.86 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 0.00 0.00 0.00 60 W 7.93 4.41 0.00 3.67 3.30 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 61 C 7.88 5.39 0.00 3.06 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.70 4.55 0.00 2.01 1.69 0.00 1.54 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.37 1.42 7.81 63 S 8.55 5.17 0.00 4.06 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 64 S 8.86 4.30 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 65 E 8.43 4.12 0.00 2.20 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 2.38 2.45 0.00 66 F 8.01 5.13 0.00 2.98 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 67 P 0.00 4.20 0.00 2.15 2.16 0.00 3.56 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 68 E 7.16 4.48 0.00 1.78 1.64 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 2.10 2.14 0.00 69 S 7.41 4.57 0.00 4.19 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 70 E 8.75 3.96 0.00 1.86 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 2.21 2.30 0.00 71 N 7.84 4.14 0.00 2.83 2.74 0.00 0.00 6.99 7.37 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 72 I 7.86 3.63 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 1.09 0.47 0.98 0.00 0.00 73 C 8.80 4.44 0.00 3.26 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 74 G 8.78 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 75 I 7.03 4.51 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.22 0.91 0.00 0.00 76 S 8.43 4.72 0.00 3.87 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 77 C 8.74 4.09 0.00 2.41 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 78 D 7.86 4.28 0.00 2.67 2.73 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 79 K 8.19 4.18 0.00 1.88 2.01 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.60 7.81 80 L 7.56 4.84 0.00 1.90 1.78 0.95 0.49 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 81 L 7.74 5.11 0.00 1.82 1.69 1.12 1.10 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 82 D 7.96 5.19 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 83 D 8.60 4.62 0.00 2.69 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 84 E 8.05 4.39 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 85 L 8.18 4.54 0.00 1.75 1.75 0.97 1.26 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 86 D 8.04 4.33 0.00 2.73 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 87 D 8.00 4.31 0.00 2.92 2.90 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 88 D 8.14 4.30 0.00 2.99 2.99 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 89 I 7.83 3.07 1.87 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 1.43 0.82 0.68 0.00 0.00 90 A 8.18 3.83 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 C 8.63 4.14 0.00 2.97 3.12 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 92 A 7.74 3.86 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 93 K 7.91 3.99 0.00 1.79 1.60 0.00 1.28 0.00 0.00 1.29 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.00 1.32 7.81 94 K 7.64 4.05 0.00 2.07 2.04 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.69 7.81 95 I 7.65 3.15 1.75 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.24 0.00 0.00 96 L 8.83 4.23 0.00 2.13 1.91 1.40 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 97 A 8.55 4.12 1.51 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 0.00 0.00 98 I 7.89 4.11 2.23 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 1.51 0.93 1.05 0.00 0.00 99 K 8.50 4.35 0.00 1.90 1.92 0.00 2.06 0.00 0.00 2.00 0.00 0.00 3.29 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.55 7.81 100 G 8.05 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 0.00 0.00 0.00 0.00 101 I 8.29 3.97 1.55 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.54 0.70 0.00 0.00 102 D 8.13 4.67 0.00 2.76 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 0.00 103 Y 7.86 3.83 0.00 2.56 2.22 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 0.00 104 W 8.75 4.43 0.00 3.59 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.36 4.15 0.00 1.69 1.86 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.35 7.81 106 A 8.09 4.15 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 0.00 107 Y 8.01 4.05 0.00 2.97 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 0.00 108 K 7.99 3.60 0.00 1.78 1.79 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.38 7.81 109 P 0.00 4.33 0.00 2.17 2.13 0.00 3.79 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 2.07 1.96 0.00 110 M 7.65 4.39 0.00 1.89 2.13 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.52 0.00 111 C 7.68 5.02 0.00 2.85 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 0.00 112 S 8.06 4.03 0.00 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 0.00 113 E 7.64 4.56 0.00 2.02 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 2.15 2.32 0.00 114 K 8.41 3.84 0.00 1.97 1.89 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.45 7.81 115 L 7.59 4.65 0.00 1.80 1.85 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.45 4.01 0.00 2.05 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 2.38 2.37 0.00 117 Q 7.90 3.87 0.00 1.74 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.83 0.00 0.00 0.00 0.00 0.00 2.17 1.16 0.00 118 W 8.24 4.38 0.00 3.50 3.45 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 0.00 119 R 7.70 4.04 0.00 1.85 1.95 0.00 3.39 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 120 C 8.49 4.83 0.00 2.92 2.96 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 0.00 121 E 8.68 3.86 0.00 2.00 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 2.31 2.24 0.00 122 K 7.91 4.03 0.00 1.73 1.79 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.49 7.81 123 P 0.00 4.43 0.00 2.07 1.94 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00