NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5381 8.2931 118.2081 55.0475 33.6940 171.4464 2 G 3.6810 10.4861 113.3867 43.1638 0.0000 172.7635 3 H 4.0171 9.5201 117.8066 56.5043 30.3778 170.5681 4 H 4.8606 7.7905 117.0500 54.7304 30.9457 173.4080 5 H 4.7942 8.3403 121.9210 54.5011 31.0055 172.4351 6 H 4.6426 8.6281 120.8792 53.5802 31.8251 172.4261 7 H 4.3669 8.9822 119.4795 56.0053 27.4776 174.6517 8 H 4.5922 8.2976 123.0180 53.9766 28.9186 174.7375 9 S 4.3129 8.2032 120.9093 58.1734 61.1481 173.2682 10 H 4.7327 7.6075 121.0610 55.3874 32.9261 172.0042 11 M 2.9981 8.6055 118.3398 56.4401 28.9239 175.6375 12 D 4.7705 7.5967 115.6498 52.4262 40.4752 175.9983 13 Y 4.8548 7.3950 117.0545 56.0034 39.8698 173.8080 14 P 4.3717 0.0000 0.0000 65.7295 31.6215 176.0007 15 S 3.7003 8.2680 118.1148 58.4141 59.2100 171.0007 16 F 4.9654 7.6055 116.5695 55.9130 40.3829 173.6703 17 D 4.6180 8.2967 119.9203 51.6201 41.7383 175.1808 18 K 4.0492 8.5198 119.7730 57.2219 32.8404 176.6117 19 F 4.1531 8.9652 126.1292 60.5779 40.1314 176.7706 20 L 5.1401 7.6092 119.8823 55.2343 39.1781 177.7803 21 G 3.8492 8.8503 106.1550 47.6957 0.0000 174.4642 22 T 3.4348 7.7574 114.6701 64.4707 66.3095 172.1867 23 E 4.1824 7.2215 118.9082 56.3062 30.3048 176.3109 24 N 4.6269 8.4493 116.1106 53.8071 39.0333 176.3744 25 A 4.0617 7.6652 120.0748 54.7650 17.7468 179.7583 26 E 3.8706 8.0403 117.0405 59.3311 29.4303 178.9748 27 L 4.0143 8.0598 120.6115 57.9746 41.9169 179.1282 28 V 3.6024 7.5646 117.1132 65.9732 31.6173 176.9817 29 Y 4.1845 8.0534 118.6758 60.1096 38.6126 177.7493 30 V 3.8275 7.1662 118.0307 64.7477 31.9373 175.2772 31 L 3.9329 7.6199 120.3875 55.4408 41.1896 175.9366 32 R 4.6187 7.9611 124.3630 54.9625 33.3338 174.7152 33 H 4.8442 8.3747 115.8745 54.7574 30.6171 174.4413 34 K 4.6026 8.2280 120.7235 56.9828 34.1800 174.3733 35 H 4.6233 8.1800 111.8056 55.0247 30.0730 173.1617 36 G 3.8266 8.3933 108.2177 46.2542 0.0000 173.5507 37 Q 4.1811 8.7675 120.3036 58.7117 29.9875 175.7528 38 F 5.4817 8.1299 122.9995 55.9127 41.3170 173.7935 39 I 5.0594 8.8559 125.1732 59.3896 40.6606 174.1355 40 Y 5.1117 9.5946 128.0925 55.9504 41.2643 174.7254 41 V 5.0818 8.5938 119.9756 59.3433 35.8796 175.1051 42 W 5.6078 8.1805 119.5685 57.7325 30.0603 173.7295 43 G 4.1496 9.5013 121.1725 45.3500 0.0000 174.5877 44 E 3.9817 7.6759 122.3106 57.9492 30.5751 177.5839 45 E 4.3515 8.0441 116.3741 57.7048 32.3525 175.9589 46 G 4.1994 7.7872 107.3382 44.1318 0.0000 172.8502 47 A 4.5778 7.5342 120.4063 52.2937 20.5447 176.7590 48 G 3.9082 8.1331 105.2007 48.0031 0.0000 175.0574 49 K 4.2738 7.9579 115.9561 57.8251 34.5271 178.3889 50 S 3.8287 7.7380 111.0799 59.6556 61.2310 173.8140 51 H 4.1647 7.5612 118.5311 58.6193 28.2004 177.2777 52 L 3.9639 8.1848 123.0191 57.5470 41.8057 178.9540 53 L 4.0989 7.6170 118.7786 57.9339 41.6108 179.2546 54 Q 3.7186 8.2603 118.1529 58.5440 28.4730 178.5293 55 A 3.9268 8.0759 121.9366 55.0842 18.1538 179.5653 56 W 4.0149 8.2898 126.7896 60.4535 30.7577 178.4004 57 V 3.2652 8.1856 118.2082 65.7796 31.0017 177.9422 58 A 3.9027 8.2479 121.1645 55.1343 18.0315 179.6562 59 Q 4.2825 8.1512 116.2166 58.6404 28.8562 178.3650 60 A 3.4128 7.0607 122.5940 54.5819 18.2176 179.4933 61 L 4.1718 7.4419 118.7983 57.4384 41.5506 179.6385 62 E 3.9233 8.2221 118.1490 58.7286 29.1097 178.1822 63 A 4.4017 7.4004 118.5270 51.7121 18.8167 177.9047 64 G 3.7803 7.7963 105.6395 45.6474 0.0000 173.8330 65 K 4.5286 7.3440 118.2253 54.1881 34.5053 174.8209 66 N 4.7620 8.4821 119.9856 53.4915 40.1841 173.6132 67 A 5.3303 8.3680 125.5459 51.0780 22.3928 175.1165 68 A 4.8394 9.2249 122.1619 50.7409 23.2297 174.6900 69 Y 5.3573 8.5320 118.4983 55.2828 40.8145 175.0690 70 I 4.4485 9.1336 122.8706 59.4886 41.2245 174.4448 71 D 4.7313 8.7682 126.5425 53.6664 41.1245 176.5806 72 A 4.4224 9.3187 125.0870 52.6665 18.4762 177.3910 73 A 4.7196 7.9441 116.4936 51.7442 20.1250 176.7297 74 S 4.6075 7.9333 108.9579 58.8728 65.5951 173.9823 75 M 4.8471 8.6446 118.8515 52.5591 35.2960 173.3494 76 P 4.5865 0.0000 0.0000 61.9629 32.8346 175.2121 77 L 4.4464 8.1306 121.1027 54.2277 43.4029 175.6092 78 T 4.8189 7.9092 113.4127 58.8800 72.1880 174.4577 79 D 4.6634 8.6444 121.1782 56.2111 39.4007 178.2364 80 A 4.1190 8.1767 121.8073 54.8381 18.3202 178.9903 81 A 4.0005 7.8727 119.1573 54.9580 18.1264 179.3382 82 F 4.3419 8.0146 115.1231 59.7488 39.0070 177.0756 83 E 4.1633 8.2444 118.0703 57.8180 29.6752 177.1025 84 A 4.5156 7.3979 121.7224 51.6893 19.6695 176.6544 85 E 4.2996 8.7834 122.3801 57.5479 31.7122 174.9218 86 Y 5.0001 8.3762 118.0564 56.2431 40.0186 174.9289 87 L 5.4431 9.7279 125.0309 52.8379 45.1512 175.5860 88 A 5.4220 9.3146 124.6247 50.2091 22.3553 174.9365 89 V 4.8256 9.3737 122.8830 61.3222 34.2229 173.8586 90 D 5.2676 8.8247 127.7967 53.0895 43.6138 175.8874 91 Q 3.7931 8.7778 120.5344 56.8252 26.6566 173.9447 92 V 4.0744 8.1322 118.1314 61.5943 31.8566 174.9490 93 E 5.5405 8.3709 132.5823 57.1960 29.6277 177.5267 94 K 4.4343 7.5447 113.9228 55.9390 32.0738 176.7280 95 L 4.0593 7.9255 119.9237 55.0510 41.7272 175.6168 96 G 3.6737 8.8870 113.4270 46.0473 0.0000 173.6137 97 N 4.7893 7.9729 116.4113 53.3801 43.1020 176.3306 98 E 3.9500 8.1532 117.1300 59.5181 30.1176 179.2006 99 E 4.1693 8.1522 118.1058 59.2335 29.4625 179.0161 100 Q 4.0089 7.9602 119.2013 59.1151 29.1996 177.8130 101 A 4.1064 8.3684 122.1466 54.8022 18.2865 179.3530 102 L 4.0194 8.5182 119.4461 58.3155 42.1650 178.8839 103 L 3.8030 8.3143 120.6480 58.1157 42.0338 178.4871 104 F 4.2610 8.7098 120.9337 61.6840 39.2635 177.0601 105 S 4.1497 8.7014 112.8460 61.3406 62.1391 176.0813 106 I 3.4639 7.8634 122.7563 64.3172 36.6764 178.2126 107 F 3.7603 7.9670 118.5644 60.4536 38.6965 177.2894 108 N 4.1073 7.8879 116.4294 56.7386 38.7139 176.9064 109 R 4.0611 8.3928 120.4603 59.3483 30.0993 178.5514 110 F 4.4925 8.4152 117.8099 60.8471 38.8446 177.7461 111 R 3.8819 8.1571 117.2856 59.1003 29.8588 177.8887 112 N 4.4031 8.5236 116.6520 56.8826 39.1605 176.6863 113 S 4.3162 7.7605 112.8043 59.1353 62.4668 174.6288 114 G 3.9054 8.3922 108.6245 45.6866 0.0000 172.9451 115 K 4.2691 7.5966 119.1500 54.6143 35.4028 174.2642 116 G 2.2264 8.0344 109.5050 46.0063 0.0000 172.8141 117 F 4.4477 8.0130 122.5958 55.3577 42.1421 174.2780 118 L 5.6088 9.2283 124.8535 53.5239 46.2826 174.8794 119 L 4.9963 9.0847 126.7049 53.6734 45.2358 174.7563 120 L 5.8545 8.5460 126.1340 52.1478 45.7575 175.9718 121 G 4.8155 8.2710 107.8911 45.5349 0.0000 171.8833 122 S 4.8969 8.1077 116.7285 58.1586 65.7256 173.8901 123 E 4.5184 9.0175 117.3936 56.7715 30.4668 175.4310 124 Y 4.5321 7.5665 113.4222 56.8440 40.8520 175.7974 125 T 4.0627 7.8788 110.1230 61.0250 71.2538 173.0411 126 P 4.1243 0.0000 0.0000 65.2544 31.4934 177.1164 127 Q 4.3291 7.6829 115.0121 55.5343 29.0333 175.3401 128 Q 4.4320 7.4629 117.8480 55.8127 31.0362 175.6960 129 L 4.0251 7.3691 116.7864 54.5513 42.0790 177.7823 130 V 3.8071 7.9604 121.7726 62.3420 29.8997 174.8787 131 I 4.6770 7.4748 118.3957 57.7007 41.1381 175.6626 132 R 4.1846 8.1689 119.9017 55.7332 32.1508 176.6990 133 E 3.9871 8.5586 121.5734 59.0759 28.8216 178.9674 134 D 4.3003 7.8591 120.3224 56.2198 39.6046 178.1029 135 L 4.4203 7.7269 121.2728 57.7154 42.0796 178.5074 136 R 3.8401 7.9329 118.1187 59.5989 30.1075 178.3277 137 T 3.8589 7.7888 109.2880 64.7074 68.7545 176.8193 138 R 3.8752 7.2794 121.1526 58.8364 29.8846 178.5998 139 M 4.0545 7.5300 117.9131 57.5440 31.6309 178.0540 140 A 3.9745 7.1070 119.9931 54.1773 18.6267 178.3823 141 Y 4.2142 7.4160 113.9047 58.7563 38.4948 175.1230 142 C 4.9249 7.2552 117.8456 58.4338 29.8562 173.8981 143 L 4.4324 9.2455 123.3295 54.6745 43.1090 176.0901 144 V 4.9672 8.3590 121.3264 61.7760 32.8749 174.4041 145 Y 4.5745 8.8859 126.1170 56.2123 40.1260 175.1847 146 E 4.7216 8.7810 123.8472 54.6435 31.7703 176.7433 147 V 4.1309 8.3196 122.0600 61.5633 31.9582 176.5368 148 K 4.0719 7.3293 121.4275 55.6667 32.3880 175.2274 149 P 4.4482 0.0000 0.0000 63.3192 30.9152 175.9943 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 M 8.29 4.54 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 2 G 10.49 3.68 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 0.00 0.00 0.00 3 H 9.52 4.02 0.00 3.30 3.44 0.00 5.69 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 H 7.79 4.86 0.00 3.14 3.18 0.00 5.79 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 5 H 8.34 4.79 0.00 3.31 3.14 0.00 5.72 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 6 H 8.63 4.64 0.00 3.02 3.14 0.00 5.90 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 7 H 8.98 4.37 0.00 3.51 3.76 0.00 5.28 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.30 4.59 0.00 3.07 3.29 0.00 5.89 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.20 4.31 0.00 3.81 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 10 H 7.61 4.73 0.00 3.07 3.16 0.00 5.83 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 M 8.61 3.00 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.58 0.00 12 D 7.60 4.77 0.00 2.56 2.50 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 13 Y 7.39 4.85 0.00 3.02 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.37 0.00 2.49 2.39 0.00 4.03 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 15 S 8.27 3.70 0.00 4.11 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 16 F 7.61 4.97 0.00 3.10 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 17 D 8.30 4.62 0.00 2.70 2.52 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 18 K 8.52 4.05 0.00 1.94 1.93 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.72 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.44 7.81 19 F 8.97 4.15 0.00 2.98 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 20 L 7.61 5.14 0.00 1.88 1.77 0.96 0.38 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 21 G 8.85 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 7.76 3.43 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 23 E 7.22 4.18 0.00 1.69 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 0.00 2.34 2.25 0.00 24 N 8.45 4.63 0.00 2.76 2.73 0.00 0.00 6.73 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.67 4.06 1.14 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 26 E 8.04 3.87 0.00 1.97 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 2.24 2.22 0.00 27 L 8.06 4.01 0.00 1.75 1.82 0.90 0.65 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 28 V 7.56 3.60 2.23 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 0.90 0.00 0.00 0.92 0.00 0.00 29 Y 8.05 4.18 0.00 2.91 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 30 V 7.17 3.83 2.23 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 0.96 0.00 0.00 1.05 0.00 0.00 31 L 7.62 3.93 0.00 1.78 1.63 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.96 4.62 0.00 1.65 1.77 0.00 3.07 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.52 0.00 33 H 8.37 4.84 0.00 3.14 3.21 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.23 4.60 0.00 2.00 1.95 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.47 7.81 35 H 8.18 4.62 0.00 3.02 3.23 0.00 5.54 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 36 G 8.39 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.77 4.18 0.00 1.93 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.52 6.41 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 38 F 8.13 5.48 0.00 3.12 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 39 I 8.86 5.06 1.62 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.69 0.80 0.00 0.00 40 Y 9.59 5.11 0.00 3.05 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 41 V 8.59 5.08 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 0.88 0.00 0.00 0.86 0.00 0.00 42 W 8.18 5.61 0.00 3.49 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 43 G 9.50 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 0.00 0.00 0.00 44 E 7.68 3.98 0.00 1.85 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 2.23 2.24 0.00 45 E 8.04 4.35 0.00 2.01 1.74 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 2.07 2.14 0.00 46 G 7.79 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 47 A 7.53 4.58 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 48 G 8.13 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.96 4.27 0.00 1.84 1.79 0.00 1.89 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.39 7.81 50 S 7.74 3.83 0.00 4.09 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 51 H 7.56 4.16 0.00 3.25 3.58 0.00 5.26 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 52 L 8.18 3.96 0.00 1.80 1.67 0.93 0.32 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 53 L 7.62 4.10 0.00 1.92 1.75 0.85 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.26 3.72 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.72 0.00 0.00 0.00 0.00 0.00 1.16 1.95 0.00 55 A 8.08 3.93 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 56 W 8.29 4.01 0.00 3.45 3.43 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 57 V 8.19 3.27 2.27 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 1.02 0.00 0.00 1.27 0.00 0.00 58 A 8.25 3.90 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 59 Q 8.15 4.28 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.67 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 60 A 7.06 3.41 -0.11 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 61 L 7.44 4.17 0.00 1.77 1.63 0.88 0.71 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 62 E 8.22 3.92 0.00 2.05 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 2.25 2.49 0.00 63 A 7.40 4.40 1.18 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 64 G 7.80 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.34 4.53 0.00 1.68 1.80 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.33 7.81 66 N 8.48 4.76 0.00 2.80 2.87 0.00 0.00 6.72 7.82 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 67 A 8.37 5.33 0.95 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 68 A 9.22 4.84 1.20 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 69 Y 8.53 5.36 0.00 3.03 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 70 I 9.13 4.45 1.89 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 1.14 0.94 0.90 0.00 0.00 71 D 8.77 4.73 0.00 2.63 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 72 A 9.32 4.42 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 73 A 7.94 4.72 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 74 S 7.93 4.61 0.00 3.80 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 M 8.64 4.85 0.00 1.91 1.86 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 76 P 0.00 4.59 0.00 2.18 2.05 0.00 3.74 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 77 L 8.13 4.45 0.00 1.60 1.59 0.85 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.91 4.82 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 1.22 0.00 0.00 79 D 8.64 4.66 0.00 3.06 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 80 A 8.18 4.12 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 81 A 7.87 4.00 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 82 F 8.01 4.34 0.00 3.25 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 83 E 8.24 4.16 0.00 2.07 2.06 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 2.41 2.54 0.00 84 A 7.40 4.52 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 85 E 8.78 4.30 0.00 2.14 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 2.26 2.17 0.00 86 Y 8.38 5.00 0.00 2.55 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 0.00 0.00 0.00 87 L 9.73 5.44 0.00 1.78 1.70 1.04 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 88 A 9.31 5.42 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 89 V 9.37 4.83 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 1.00 0.00 0.00 0.99 0.00 0.00 90 D 8.82 5.27 0.00 2.84 2.55 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 91 Q 8.78 3.79 0.00 2.39 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 7.22 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 92 V 8.13 4.07 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 1.02 0.00 0.00 1.06 0.00 0.00 93 E 8.37 5.54 0.00 2.16 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 2.30 2.17 0.00 94 K 7.54 4.43 0.00 2.04 1.89 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.58 7.81 95 L 7.93 4.06 0.00 1.77 1.65 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.89 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 0.00 0.00 0.00 97 N 7.97 4.79 0.00 2.65 2.62 0.00 0.00 7.06 7.67 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 98 E 8.15 3.95 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 2.42 2.44 0.00 99 E 8.15 4.17 0.00 2.12 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 2.42 2.44 0.00 100 Q 7.96 4.01 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.89 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 101 A 8.37 4.11 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 0.00 102 L 8.52 4.02 0.00 1.94 1.88 0.72 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.31 3.80 0.00 1.94 1.93 1.02 0.68 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 0.00 104 F 8.71 4.26 0.00 3.28 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 0.00 105 S 8.70 4.15 0.00 4.26 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 0.00 106 I 7.86 3.46 1.61 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.12 -0.16 0.00 0.00 107 F 7.97 3.76 0.00 3.01 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 0.00 108 N 7.89 4.11 0.00 2.51 2.87 0.00 0.00 6.86 6.95 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 0.00 109 R 8.39 4.06 0.00 2.14 2.22 0.00 3.50 0.00 0.00 3.53 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 110 F 8.42 4.49 0.00 3.31 3.28 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 0.00 111 R 8.16 3.88 0.00 1.47 1.79 0.00 3.12 0.00 0.00 2.56 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.49 0.00 112 N 8.52 4.40 0.00 3.03 2.84 0.00 0.00 7.43 7.59 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 0.00 113 S 7.76 4.32 0.00 3.92 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 0.00 114 G 8.39 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 7.60 4.27 0.00 1.64 1.78 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.24 1.35 7.81 116 G 8.03 2.23 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 0.00 117 F 8.01 4.45 0.00 2.56 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 9.23 5.61 0.00 2.22 1.96 1.14 -0.05 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 0.00 119 L 9.08 5.00 0.00 0.87 1.26 0.70 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.55 5.85 0.00 1.75 1.56 1.20 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.27 4.82 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 0.00 122 S 8.11 4.90 0.00 4.02 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 0.00 123 E 9.02 4.52 0.00 1.17 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 2.12 2.22 0.00 124 Y 7.57 4.53 0.00 2.96 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 0.00 125 T 7.88 4.06 3.98 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 0.53 0.00 0.00 126 P 0.00 4.12 0.00 1.85 1.35 0.00 3.32 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.19 0.00 127 Q 7.68 4.33 0.00 1.90 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.76 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 128 Q 7.46 4.43 0.00 1.84 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 6.95 0.00 0.00 0.00 0.00 0.00 2.17 2.31 0.00 129 L 7.37 4.03 0.00 1.70 1.59 1.16 1.14 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 0.00 130 V 7.96 3.81 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 0.86 0.00 0.00 0.84 0.00 0.00 131 I 7.47 4.68 1.88 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 1.49 0.78 0.99 0.00 0.00 132 R 8.17 4.18 0.00 1.89 2.03 0.00 3.18 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 133 E 8.56 3.99 0.00 2.14 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 2.29 2.26 0.00 134 D 7.86 4.30 0.00 2.36 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 0.00 135 L 7.73 4.42 0.00 1.85 1.84 1.25 0.97 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 0.00 136 R 7.93 3.84 0.00 1.86 1.87 0.00 3.24 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 137 T 7.79 3.86 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 138 R 7.28 3.88 0.00 1.49 0.66 0.00 3.05 0.00 0.00 3.28 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.66 0.00 139 M 7.53 4.05 0.00 1.91 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 2.59 2.88 0.00 140 A 7.11 3.97 0.97 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 0.00 0.00 141 Y 7.42 4.21 0.00 2.95 2.69 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 0.00 142 C 7.26 4.92 0.00 3.12 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 0.00 143 L 9.25 4.43 0.00 2.04 1.92 1.18 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 144 V 8.36 4.97 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 0.93 0.00 0.00 0.89 0.00 0.00 145 Y 8.89 4.57 0.00 2.87 2.85 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 0.00 0.00 0.00 0.00 146 E 8.78 4.72 0.00 2.05 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 2.26 2.46 0.00 147 V 8.32 4.13 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 0.67 0.00 0.00 0.95 0.00 0.00 148 K 7.33 4.07 0.00 1.77 1.79 0.00 1.93 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.40 1.47 7.81 149 P 0.00 4.45 0.00 2.18 2.06 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00