NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.6502 8.4293 116.2037 55.1456 30.4114 173.3237 2 C 4.1715 8.0168 113.9131 56.7302 30.1709 172.2483 3 D 4.5881 8.4260 118.5900 54.9649 40.2337 175.3469 4 L 4.0873 8.0883 120.3979 57.2361 42.2215 175.7033 5 P 4.5962 0.0000 0.0000 62.1770 32.4033 175.3722 6 C 4.2486 8.4890 113.5192 58.0688 30.5251 174.9226 7 G 3.9401 8.3137 107.6306 45.4035 0.0000 172.7866 8 V 4.3081 7.1413 118.6797 60.8897 33.2631 174.3391 9 Y 4.6256 8.0587 123.2071 56.8220 42.0985 174.4331 10 D 3.6647 7.9900 118.3622 51.7906 43.3001 174.5639 11 P 4.0341 0.0000 0.0000 64.9156 31.1661 178.0591 12 A 4.0097 8.4202 120.2599 55.1632 17.6085 179.6196 13 Q 3.8128 8.1158 116.3947 59.0954 28.7513 178.9332 14 A 4.0784 7.7855 121.2281 55.0173 18.4553 179.4334 15 R 3.8363 8.1180 117.2727 59.7180 30.2761 178.7097 16 I 3.7179 8.1212 119.9521 64.6002 37.1015 178.3429 17 E 4.0161 7.9911 118.1269 59.3218 29.3172 179.2733 18 A 4.0888 8.2762 120.8618 55.0364 18.3033 179.5734 19 E 3.9791 8.5409 117.8712 59.5864 29.4004 179.6829 20 S 4.1153 7.9237 114.9198 61.3171 62.8572 176.6215 21 V 3.5648 7.7991 121.0267 65.9989 31.1815 177.9842 22 K 4.0614 8.0126 118.7982 59.5832 32.0854 178.4392 23 A 4.0018 8.2192 121.1500 55.3807 18.1836 179.7426 24 I 3.7425 8.1583 118.5581 64.6216 37.0488 178.6610 25 Q 4.0160 8.0542 118.9673 58.9830 28.2374 178.7384 26 E 4.0117 8.5173 119.8988 59.4508 29.5354 179.6128 27 K 4.1164 8.1833 118.4971 59.5268 31.9220 179.2464 28 M 4.4645 8.1978 117.9487 57.7088 31.8962 177.8029 29 A 4.3097 7.7502 119.2831 53.1119 19.0071 177.6020 30 A 4.4420 7.5832 118.5699 51.6738 19.5127 176.6205 31 N 4.5368 7.7447 115.8135 53.3298 39.9080 173.2507 32 D 4.7736 8.6121 124.8988 53.2043 40.2398 176.7209 33 D 4.4307 8.5512 120.7472 54.5221 42.5800 176.2000 34 L 3.9399 8.6536 128.5027 59.0280 42.1597 179.0885 35 H 4.1186 8.3311 115.3418 58.6936 28.6322 177.5255 36 F 4.1967 8.6573 122.7109 61.3554 39.2247 177.2509 37 Q 3.8552 8.3162 117.7365 58.8147 28.3836 178.9096 38 I 3.6323 7.9156 120.9286 64.5067 37.1239 178.7354 39 R 3.8217 8.0548 118.7122 59.0387 29.7648 178.9760 40 A 3.7194 7.9108 120.9242 55.3495 18.3257 179.8508 41 T 3.7192 7.8180 114.1870 66.6325 68.6275 177.0118 42 V 3.5481 7.8651 120.2560 66.2323 31.5209 178.2081 43 I 3.9830 7.9374 121.1309 63.6440 36.8413 178.2858 44 K 3.8631 8.3186 120.9276 59.3564 31.9708 178.2929 45 E 3.8899 8.1963 119.5077 59.4984 29.4886 178.9106 46 Q 3.9685 7.8748 117.3832 59.1650 28.7795 179.1136 47 R 4.0448 8.2665 118.9697 59.0406 30.0603 178.9547 48 A 3.9995 8.2975 120.9810 55.0457 18.3440 179.2872 49 E 3.8797 8.1736 117.8630 59.4378 29.6413 179.0952 50 L 3.9444 7.9414 118.7213 57.6332 41.6439 179.3093 51 A 4.0557 8.2174 120.8219 55.1523 18.2505 179.8409 52 K 3.9356 8.2461 117.0480 59.7050 32.0471 179.0211 53 H 4.1353 8.2843 118.4957 59.7149 29.9069 176.9571 54 H 4.1871 8.3144 118.0888 59.0128 28.5249 177.8576 55 L 4.1142 8.0740 120.7438 57.8350 41.4492 179.1934 56 D 4.5535 8.4856 119.3735 57.4316 40.7537 179.0732 57 V 3.7404 8.0965 118.8518 65.9183 31.4652 178.0817 58 L 3.9231 7.9952 118.6029 57.5068 41.2696 179.3273 59 W 4.5993 8.4235 127.2465 60.7460 30.8327 177.8165 60 S 3.9938 8.8280 113.1907 60.4699 62.8177 175.1013 61 D 4.7221 8.3748 120.8721 56.0154 41.8471 177.3907 62 Y 3.4335 7.5371 118.2926 60.0636 39.0550 175.5600 63 F 3.9387 7.9058 118.3632 57.3508 39.5105 175.1021 64 K 4.5946 8.0638 123.5535 53.3769 35.4255 175.1234 65 P 4.4582 0.0000 0.0000 65.9431 31.0298 177.0594 66 P 4.2578 0.0000 0.0000 65.8818 31.0960 178.4191 67 H 4.3396 7.9649 115.0394 58.9717 28.3990 177.9360 68 F 4.2803 7.6995 117.8669 60.2140 38.8153 177.2829 69 E 4.1805 8.0250 117.9759 59.6068 29.4316 179.1729 70 S 4.2634 8.1387 113.9510 59.9653 64.1472 174.1495 71 Y 4.6225 8.0977 120.2011 54.5829 37.6960 174.1303 72 P 4.4653 0.0000 0.0000 64.9048 31.8388 177.8633 73 E 4.4617 8.1013 117.2151 56.3703 30.3965 177.3764 74 L 3.8965 8.3300 122.2067 58.4933 42.0465 178.3056 75 H 4.3804 8.3819 115.5192 59.5124 28.7248 177.6569 76 T 3.7924 7.9287 116.7110 66.3993 68.3425 176.1815 77 L 3.7157 8.0533 122.3253 58.2610 42.1504 179.3197 78 V 3.5609 7.9519 118.2533 65.8872 31.4581 177.4556 79 N 4.0518 8.1018 116.8995 56.6962 38.7100 176.7827 80 E 3.8004 8.4624 120.1315 58.8602 29.4833 179.2149 81 A 4.0078 7.5756 120.9929 55.3572 18.5185 180.1901 82 V 3.6245 7.8012 110.9158 64.3720 31.5731 179.0521 83 K 3.9998 8.0508 118.2133 59.1971 31.8429 179.2666 84 A 4.1066 8.1891 121.4112 55.1151 18.3048 179.7111 85 L 4.0139 7.8554 117.3654 58.0143 41.5186 179.8823 86 S 4.1431 8.1528 115.0362 61.4793 62.4986 176.5998 87 A 3.9926 7.8873 122.5717 54.9901 18.4792 179.2591 88 A 4.2347 7.9991 120.7711 54.5804 18.1734 179.9863 89 K 3.9550 7.8625 116.2768 59.2948 32.1598 178.3837 90 A 4.4941 7.3527 118.3195 51.2096 18.9106 176.6627 91 S 4.6230 7.2706 112.3101 57.8361 65.6252 173.9890 92 T 4.3449 8.3155 113.4603 61.3261 69.6605 173.9182 93 D 4.5138 8.2119 124.2838 53.2541 41.4463 175.0034 94 P 4.6414 0.0000 0.0000 64.8218 31.2468 178.3195 95 A 3.9936 8.6890 120.5012 55.1817 18.0656 179.7554 96 T 3.9759 8.2291 108.7603 64.9279 68.9179 177.2564 97 G 3.5818 8.1325 108.1989 47.4053 0.0000 175.3448 98 Q 3.9527 8.3316 122.0812 58.8237 29.1621 178.1364 99 K 3.6982 8.1745 120.4967 59.3136 32.1386 178.6331 100 A 4.1291 7.8323 120.8492 55.2761 18.3088 179.5209 101 L 3.9586 7.9220 117.5161 58.1696 41.6260 179.6011 102 D 4.3177 8.3106 118.9830 57.5336 40.7087 178.4781 103 Y 4.3820 7.7993 117.1337 61.1327 37.8456 178.3963 104 I 3.7908 8.2108 120.7496 64.3837 37.1883 178.3326 105 A 4.1462 8.3490 121.7421 55.1968 18.2612 179.7621 106 Q 4.0155 7.9763 116.3083 59.2371 28.7417 179.0073 107 I 3.7974 7.9556 120.9089 64.2991 37.1393 177.9245 108 D 4.3622 8.6618 119.4347 57.1906 41.1941 178.2393 109 K 4.1168 8.1895 120.0800 59.7773 32.2621 178.8462 110 I 3.5553 7.6733 119.5811 64.0593 36.7913 177.9906 111 F 3.9991 8.6147 121.9073 61.3998 39.3299 177.4359 112 W 4.2234 8.2899 118.0257 59.4407 28.5950 178.5267 113 E 4.1315 8.1625 119.0177 59.5335 28.7320 179.2211 114 T 4.0340 7.7458 108.4939 64.1672 68.9524 176.5165 115 K 4.0829 7.3576 121.2034 58.7731 32.1798 178.9883 116 K 4.1770 7.9088 118.1699 59.8107 32.7362 176.8797 117 A 4.1726 7.6293 126.4422 52.0823 18.2826 176.8266 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 H 8.43 4.65 0.00 3.20 3.25 0.00 5.47 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 8.02 4.17 0.00 3.16 3.04 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 0.00 0.00 0.00 3 D 8.43 4.59 0.00 2.88 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 4 L 8.09 4.09 0.00 1.62 1.77 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.60 0.00 2.29 2.10 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 6 C 8.49 4.25 0.00 3.02 3.04 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 0.00 0.00 0.00 7 G 8.31 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 8 V 7.14 4.31 1.80 0.00 0.00 0.00 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 0.87 0.00 0.00 9 Y 8.06 4.63 0.00 2.69 2.37 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 10 D 7.99 3.66 0.00 2.57 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 0.00 0.00 0.00 11 P 0.00 4.03 0.00 2.27 1.91 0.00 2.90 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.15 0.00 12 A 8.42 4.01 1.38 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 13 Q 8.12 3.81 0.00 1.84 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 14 A 7.79 4.08 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 15 R 8.12 3.84 0.00 1.91 2.09 0.00 3.13 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 16 I 8.12 3.72 1.87 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 1.53 1.00 0.92 0.00 0.00 17 E 7.99 4.02 0.00 2.19 2.20 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 2.57 2.55 0.00 18 A 8.28 4.09 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.54 3.98 0.00 2.18 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 2.56 2.50 0.00 20 S 7.92 4.12 0.00 4.08 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.80 3.56 2.28 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 1.00 0.00 0.00 0.96 0.00 0.00 22 K 8.01 4.06 0.00 1.90 1.93 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 23 A 8.22 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.16 3.74 2.06 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 1.53 0.71 0.90 0.00 0.00 25 Q 8.05 4.02 0.00 2.29 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 26 E 8.52 4.01 0.00 2.18 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 2.56 2.51 0.00 27 K 8.18 4.12 0.00 2.17 2.18 0.00 1.77 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.66 7.81 28 M 8.20 4.46 0.00 2.03 2.32 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.44 0.00 29 A 7.75 4.31 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 30 A 7.58 4.44 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 31 N 7.74 4.54 0.00 2.29 2.26 0.00 0.00 7.08 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 32 D 8.61 4.77 0.00 2.83 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 33 D 8.55 4.43 0.00 2.80 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 34 L 8.65 3.94 0.00 1.79 1.64 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.33 4.12 0.00 3.47 3.40 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.66 4.20 0.00 3.18 3.27 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 37 Q 8.32 3.86 0.00 2.30 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.69 2.59 0.00 38 I 7.92 3.63 1.98 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.78 0.88 0.00 0.00 39 R 8.05 3.82 0.00 1.73 1.91 0.00 3.17 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 40 A 7.91 3.72 0.79 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 41 T 7.82 3.72 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 1.17 0.00 0.00 42 V 7.87 3.55 2.17 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 1.01 0.00 0.00 0.92 0.00 0.00 43 I 7.94 3.98 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 1.37 0.91 0.90 0.00 0.00 44 K 8.32 3.86 0.00 1.81 1.97 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.44 7.81 45 E 8.20 3.89 0.00 2.29 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 46 Q 7.87 3.97 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 47 R 8.27 4.04 0.00 1.82 2.10 0.00 3.29 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.79 0.00 48 A 8.30 4.00 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 49 E 8.17 3.88 0.00 2.19 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 0.00 2.29 2.38 0.00 50 L 7.94 3.94 0.00 1.94 1.68 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.22 4.06 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.25 3.94 0.00 2.01 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.66 7.81 53 H 8.28 4.14 0.00 3.22 3.43 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.31 4.19 0.00 3.36 3.30 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.07 4.11 0.00 1.89 1.77 0.96 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.49 4.55 0.00 2.91 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 57 V 8.10 3.74 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 1.16 0.00 0.00 0.90 0.00 0.00 58 L 8.00 3.92 0.00 2.09 1.72 0.79 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 59 W 8.42 4.60 0.00 3.45 3.61 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 60 S 8.83 3.99 0.00 4.04 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 61 D 8.37 4.72 0.00 2.99 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 62 Y 7.54 3.43 0.00 1.43 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 0.00 0.00 0.00 63 F 7.91 3.94 0.00 2.91 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 0.00 0.00 0.00 64 K 8.06 4.59 0.00 1.44 1.54 0.00 1.41 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.35 7.81 65 P 0.00 4.46 0.00 2.15 2.17 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 66 P 0.00 4.26 0.00 1.96 2.03 0.00 3.35 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.12 0.00 67 H 7.96 4.34 0.00 2.95 3.15 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 7.70 4.28 0.00 3.17 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 69 E 8.02 4.18 0.00 2.16 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 2.38 2.53 0.00 70 S 8.14 4.26 0.00 3.86 3.47 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 0.00 71 Y 8.10 4.62 0.00 3.00 2.81 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 72 P 0.00 4.47 0.00 2.21 2.23 0.00 3.80 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 73 E 8.10 4.46 0.00 2.08 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 2.38 2.27 0.00 74 L 8.33 3.90 0.00 1.82 1.83 0.55 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.38 4.38 0.00 3.25 3.35 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.93 3.79 4.38 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 1.18 0.00 0.00 77 L 8.05 3.72 0.00 1.80 1.82 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 78 V 7.95 3.56 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 0.93 0.00 0.00 1.15 0.00 0.00 79 N 8.10 4.05 0.00 2.69 2.75 0.00 0.00 7.23 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 80 E 8.46 3.80 0.00 1.37 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 2.16 2.36 0.00 81 A 7.58 4.01 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 82 V 7.80 3.62 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 0.89 0.00 0.00 0.89 0.00 0.00 83 K 8.05 4.00 0.00 1.96 1.82 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.46 7.81 84 A 8.19 4.11 1.60 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 0.00 0.00 85 L 7.86 4.01 0.00 1.94 1.74 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.15 4.14 0.00 4.04 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 87 A 7.89 3.99 1.38 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 88 A 8.00 4.23 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 89 K 7.86 3.95 0.00 1.95 2.03 0.00 1.69 0.00 0.00 1.96 0.00 0.00 3.23 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.64 7.81 90 A 7.35 4.49 1.26 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 91 S 7.27 4.62 0.00 3.80 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 92 T 8.32 4.34 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 93 D 8.21 4.51 0.00 2.70 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 94 P 0.00 4.64 0.00 2.20 2.23 0.00 3.94 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 95 A 8.69 3.99 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 96 T 8.23 3.98 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 97 G 8.13 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 8.33 3.95 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 99 K 8.17 3.70 0.00 1.92 1.90 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.19 7.81 100 A 7.83 4.13 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 0.00 101 L 7.92 3.96 0.00 1.90 1.74 0.97 1.20 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 0.00 102 D 8.31 4.32 0.00 2.55 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 0.00 103 Y 7.80 4.38 0.00 3.22 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 0.00 104 I 8.21 3.79 2.09 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 1.52 0.83 0.94 0.00 0.00 105 A 8.35 4.15 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 7.98 4.02 0.00 2.46 2.25 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 2.45 2.62 0.00 107 I 7.96 3.80 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.93 1.09 0.00 0.00 108 D 8.66 4.36 0.00 2.83 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 0.00 109 K 8.19 4.12 0.00 1.98 2.03 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.69 1.59 7.81 110 I 7.67 3.56 1.86 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 -0.13 0.00 0.00 111 F 8.61 4.00 0.00 3.01 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 0.00 112 W 8.29 4.22 0.00 3.56 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 0.00 113 E 8.16 4.13 0.00 2.32 2.17 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 2.45 2.55 0.00 114 T 7.75 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 1.29 0.00 0.00 115 K 7.36 4.08 0.00 1.91 1.94 0.00 1.50 0.00 0.00 1.01 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.40 0.42 7.81 116 K 7.91 4.18 0.00 2.01 2.18 0.00 1.69 0.00 0.00 1.91 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.64 7.81 117 A 7.63 4.17 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