NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.5749 8.0549 120.3512 63.1309 32.3024 175.2068 2 H 4.4018 7.4340 115.3111 54.1617 30.1997 170.2966 3 W 4.8886 8.2376 124.4063 55.9568 31.0512 177.1838 4 T 4.4980 8.9502 114.4945 60.7601 71.1152 176.0627 5 S 4.1247 8.5582 118.0590 61.9109 62.8530 176.6686 6 E 3.8175 8.1364 121.3691 59.1842 29.4507 178.6236 7 E 4.2150 8.3964 118.6196 59.5609 29.5714 179.3627 8 K 3.6412 8.1831 118.5059 59.4866 32.0482 179.2005 9 Q 3.8919 8.0613 119.7854 59.3209 28.7670 177.7567 10 Y 4.3199 7.8895 117.8510 61.0924 37.8540 178.7164 11 I 3.4418 7.7008 120.9807 64.4290 37.4010 178.5240 12 T 4.0045 8.1623 111.2029 64.9239 68.3392 176.5624 13 S 4.1850 8.1064 116.3155 61.0353 63.3353 175.9755 14 L 3.9113 7.9267 122.6282 57.5016 41.9341 178.5877 15 W 4.2748 8.8547 128.2023 60.4616 30.4339 177.6725 16 A 4.1168 8.0338 119.2355 54.0488 17.8676 178.0257 17 K 4.3163 7.5380 114.7379 56.2186 33.1528 176.9980 18 V 3.6151 7.1548 120.3227 62.5253 31.7835 175.8828 19 N 4.4730 8.3913 125.6605 52.2870 38.5850 175.2714 20 V 3.5081 8.0105 128.1146 65.7318 31.7198 177.7467 21 G 3.5488 7.9693 104.8667 47.6851 0.0000 175.2002 22 E 3.8614 8.6017 122.2663 59.0284 29.6871 179.0664 23 V 3.5511 8.0134 118.8305 65.7516 31.5006 178.2710 24 G 3.6813 8.5154 106.1210 47.7332 0.0000 175.9995 25 G 3.6436 8.1382 108.4216 47.4592 0.0000 175.6804 26 E 3.9233 8.2625 120.7192 59.0430 29.4842 179.2903 27 A 3.9358 8.1309 120.9314 55.1593 18.4820 179.5229 28 L 3.9035 8.0095 118.6942 58.0258 42.1583 178.9375 29 A 3.9173 8.0902 120.8166 55.3502 18.3789 179.8998 30 R 3.8096 8.1426 116.6142 58.9499 30.0389 179.1137 31 L 3.9681 7.8015 120.3058 58.3232 41.8206 179.1447 32 L 4.0267 7.7221 120.1677 57.0257 41.2238 179.6631 33 I 3.7328 7.5196 119.0462 64.2343 37.3463 178.2582 34 V 3.5495 7.8708 118.0413 64.3189 32.8147 175.6786 35 Y 4.1883 7.3020 116.1682 53.7914 37.9058 173.8081 36 P 4.4152 0.0000 0.0000 64.8063 31.3824 178.3978 37 W 4.3893 8.1300 115.7992 59.2720 27.5287 177.9561 38 T 4.3442 7.5434 110.6411 64.3330 68.1853 176.2245 39 Q 4.3133 8.1489 121.1893 58.4198 28.3932 178.1666 40 R 3.8163 7.8387 119.5929 59.1818 30.0632 177.5324 41 F 4.3592 7.6372 114.1559 57.5985 39.5719 175.6153 42 F 4.4436 7.9529 118.4330 56.4555 39.7195 177.2930 43 A 4.0861 8.3425 125.7342 55.2772 18.3391 179.5411 44 S 4.5362 8.1387 107.5925 59.5149 63.5613 174.6562 45 F 4.4309 8.5800 119.6134 57.8226 39.3151 177.3770 46 G 3.8037 8.0780 108.5098 44.5713 0.0000 172.3492 47 N 4.3773 8.7818 119.9727 54.3865 39.2422 175.4343 48 L 4.9000 8.3966 125.2025 54.5545 43.3069 178.1649 49 S 4.3294 8.6767 113.6262 59.7488 63.2123 174.1078 50 S 4.5606 7.5223 114.8581 56.3516 67.0004 175.3388 51 A 3.9359 8.4237 124.1080 55.4571 17.9731 179.7641 52 N 4.2698 8.1277 114.2706 56.3419 38.4796 177.3307 53 A 4.0481 7.8976 121.1921 55.2549 18.8976 179.4646 54 I 3.8259 8.0269 118.4998 64.5216 36.9963 178.6426 55 L 4.1103 7.9852 118.2759 56.8242 41.4287 178.0984 56 H 5.0273 7.3785 114.2820 54.4272 29.4619 174.3742 57 N 4.5611 7.7674 120.7906 52.6697 39.1646 174.9976 58 A 3.9857 8.6420 131.1066 55.3618 18.4660 178.9096 59 K 3.6989 8.0121 117.4604 59.3381 32.2012 179.0532 60 V 3.8203 8.3775 118.7413 66.1123 31.5382 178.0462 61 L 3.9645 7.9945 118.4559 57.7520 41.6005 179.4046 62 A 4.0018 8.3039 121.0346 55.4582 18.3194 179.1969 63 H 4.3607 8.9000 117.4180 59.3624 29.9430 177.7450 64 G 3.6581 8.5096 107.8788 47.7163 0.0000 175.4754 65 Q 4.0253 8.0227 121.7418 59.0972 29.2305 178.5741 66 K 4.1070 7.9838 119.1783 59.2323 32.0315 179.6653 67 V 3.7078 8.0391 118.7558 66.1363 31.5788 178.2313 68 L 4.5463 8.3938 118.7118 58.0796 41.2061 179.6106 69 T 4.2240 8.0336 115.4393 66.5516 68.5819 176.3407 70 S 4.2274 8.1178 114.8738 61.4754 62.4838 176.1706 71 F 4.1891 8.5494 120.6915 60.5482 38.6188 177.8614 72 G 3.2730 8.3290 105.2913 47.5544 0.0000 175.4298 73 E 4.0185 8.1180 119.4233 58.4275 29.7987 178.8219 74 A 4.2443 7.9686 121.5144 54.8988 18.4953 179.6134 75 V 3.1502 7.3602 115.4334 65.9056 31.5383 177.2810 76 K 4.1148 7.7737 117.0516 58.3305 32.8038 177.1608 77 N 4.9651 7.7086 117.1578 51.8889 39.3765 174.5758 78 L 3.8512 7.6397 120.2942 57.4659 42.2416 178.3763 79 D 4.9491 7.9618 115.3586 54.7888 41.4693 175.8865 80 N 5.1855 8.0514 117.7202 52.4076 40.3222 177.1598 81 I 3.8748 8.2667 120.5092 64.5303 37.1723 177.2685 82 K 3.9131 8.2274 118.8364 59.6113 32.0040 178.2934 83 K 4.1469 8.0062 118.3291 60.4385 32.5332 179.1821 84 T 3.7350 7.9087 115.9436 65.3522 68.4760 175.5693 85 F 4.5336 7.9919 116.8838 56.9890 39.2664 177.2253 86 A 3.9826 7.7278 123.2822 55.3136 18.1908 179.9663 87 Q 3.8358 7.9213 117.2464 59.5229 29.2719 178.4500 88 L 4.0904 7.8584 119.2676 57.5183 41.6542 179.3382 89 S 4.0069 8.2606 113.8344 61.2481 62.2562 175.7855 90 E 3.8421 7.9731 121.7705 58.9731 29.3465 178.4069 91 L 3.8718 7.7031 119.8330 58.7710 42.1749 178.8714 92 H 4.3105 8.4812 116.0421 58.5395 28.6103 177.3137 93 C 3.8290 8.0331 118.4681 62.0256 28.1193 175.7434 94 E 3.8063 8.0351 120.4919 58.3968 29.7226 177.7483 95 K 4.1973 7.9003 118.3004 58.4071 32.8228 177.3530 96 L 4.2245 8.1569 117.0079 55.2744 42.3674 176.4682 97 H 4.3370 7.2812 113.3643 55.6412 26.4430 175.2836 98 V 3.8097 8.1600 118.5673 61.3520 32.6900 174.9344 99 D 4.1897 8.6106 127.0715 53.4960 41.8310 175.0332 100 P 2.9782 0.0000 0.0000 65.1090 31.9558 178.0050 101 E 3.9037 8.3979 118.8316 59.2723 29.3704 178.4858 102 N 4.4930 8.0582 116.1615 55.7353 38.6013 177.3788 103 F 4.6193 7.7111 119.8608 60.5040 38.9509 177.7787 104 K 4.1658 8.1051 117.8385 59.2877 31.9841 179.2747 105 L 3.9818 7.7989 119.0484 57.6584 41.4463 179.2879 106 L 4.1984 8.3119 120.4829 58.1190 42.1049 179.1689 107 G 3.7700 8.2665 105.5971 48.0251 0.0000 175.3923 108 N 4.4707 8.4800 118.8683 56.1395 38.4778 177.5684 109 I 3.7570 7.9803 121.2545 64.3219 37.1207 178.1935 110 L 3.8242 8.1455 121.2505 58.0802 41.8970 179.0795 111 I 3.7053 7.7370 119.6675 64.4796 37.1273 178.4785 112 I 3.7019 7.6652 120.2991 64.2813 37.0538 178.6514 113 V 3.4862 7.9270 119.2998 66.0337 31.3725 178.0106 114 L 3.7437 7.8820 118.7222 57.6396 41.0376 179.4524 115 A 3.8254 7.0285 119.9868 55.1318 18.3832 179.5263 116 T 3.9026 7.5149 107.3202 64.6460 68.9640 175.9865 117 H 4.1572 7.5866 117.3882 56.1394 30.5743 175.4708 118 F 4.9888 7.8911 118.7031 54.6561 39.4132 173.2162 119 P 4.3285 0.0000 0.0000 65.9513 31.6093 178.9602 120 K 4.2204 8.1482 117.0039 58.8604 32.2326 178.1806 121 E 4.2438 8.2654 116.7659 58.6026 30.3490 177.2330 122 F 4.5941 8.3204 123.3686 57.2712 38.0173 174.6884 123 T 4.1902 7.2659 115.3947 60.5321 71.4831 173.4149 124 P 4.1003 0.0000 0.0000 65.7300 31.1242 178.8174 125 A 3.8061 7.6829 118.9842 55.0084 18.3224 179.4884 126 S 3.1756 7.1523 111.1375 61.1426 62.3347 176.0818 127 Q 3.3875 7.7930 122.4382 58.8438 28.6655 178.1101 128 A 3.9507 7.9605 121.5616 55.1143 18.4216 179.5300 129 A 4.0505 7.7325 118.8715 55.3016 18.4608 180.0188 130 W 4.0273 8.4586 117.4789 60.0770 29.1173 179.0203 131 T 4.0857 8.5836 116.4252 66.4054 67.9108 176.7465 132 K 3.9953 8.2572 121.7828 59.1638 32.1669 178.7443 133 L 4.1852 8.0779 120.7228 58.5233 42.1601 179.4500 134 V 4.0407 8.3034 112.4616 64.5590 31.3652 178.4362 135 N 4.4446 8.5023 116.2852 56.1291 38.3546 177.3434 136 A 3.9934 8.0210 122.3420 55.0393 18.4516 179.9140 137 V 2.9328 7.9094 116.6512 65.7831 31.5021 178.1993 138 A 3.8880 8.0986 120.6454 55.2690 17.9991 179.0852 139 H 4.0939 8.3959 116.0409 59.4037 29.7704 177.0539 140 A 4.0928 8.0552 122.5917 55.1826 17.9614 179.6199 141 L 3.9054 7.5537 116.3144 57.3516 41.9025 178.9407 142 A 4.6314 8.0682 119.9962 54.0125 18.6231 179.2509 143 L 4.1829 7.7222 116.8214 57.1761 41.4038 178.8066 144 G 3.7367 7.8440 103.4104 45.8841 0.0000 173.9432 145 Y 4.6832 8.1288 118.9928 59.0675 39.6358 175.4588 146 H 4.5058 7.8979 119.6845 55.9659 28.9664 174.9331 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 V 8.05 3.57 1.09 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 0.37 0.00 0.00 0.81 0.00 0.00 2 H 7.43 4.40 0.00 3.06 3.07 0.00 5.74 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 W 8.24 4.89 0.00 3.28 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 4 T 8.95 4.50 4.29 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 1.29 0.00 0.00 5 S 8.56 4.12 0.00 3.88 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 6 E 8.14 3.82 0.00 2.04 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 2.21 2.28 0.00 7 E 8.40 4.22 0.00 2.53 2.35 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 2.52 2.51 0.00 8 K 8.18 3.64 0.00 1.89 1.72 0.00 1.65 0.00 0.00 1.47 0.00 0.00 2.82 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.18 1.68 7.81 9 Q 8.06 3.89 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 10 Y 7.89 4.32 0.00 3.26 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 11 I 7.70 3.44 1.55 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.40 0.11 0.00 0.00 12 T 8.16 4.00 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 1.15 0.00 0.00 13 S 8.11 4.19 0.00 4.08 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.93 3.91 0.00 2.11 2.12 -0.09 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.85 4.27 0.00 3.97 3.25 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 16 A 8.03 4.12 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.54 4.32 0.00 1.80 2.04 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.33 7.81 18 V 7.15 3.62 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 0.24 0.00 0.00 0.81 0.00 0.00 19 N 8.39 4.47 0.00 2.71 2.60 0.00 0.00 6.84 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.01 3.51 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 1.19 0.00 0.00 0.65 0.00 0.00 21 G 7.97 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 0.00 0.00 0.00 22 E 8.60 3.86 0.00 1.99 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 2.28 0.00 23 V 8.01 3.55 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.59 0.00 0.00 24 G 8.52 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 25 G 8.14 3.64 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 0.00 0.00 0.00 26 E 8.26 3.92 0.00 2.18 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 2.36 2.46 0.00 27 A 8.13 3.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.01 3.90 0.00 1.84 1.65 0.60 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.09 3.92 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 30 R 8.14 3.81 0.00 2.02 1.92 0.00 3.18 0.00 0.00 3.04 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 31 L 7.80 3.97 0.00 1.92 1.84 1.07 0.82 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 32 L 7.72 4.03 0.00 1.79 1.63 0.65 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.52 3.73 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.51 0.83 0.00 0.00 34 V 7.87 3.55 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 -0.05 0.00 0.00 0.71 0.00 0.00 35 Y 7.30 4.19 0.00 2.56 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.42 0.00 2.31 2.33 0.00 3.82 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 2.25 1.96 0.00 37 W 8.13 4.39 0.00 3.61 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 38 T 7.54 4.34 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 1.08 0.00 0.00 39 Q 8.15 4.31 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 40 R 7.84 3.82 0.00 1.73 1.54 0.00 3.04 0.00 0.00 2.59 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.45 0.00 41 F 7.64 4.36 0.00 2.49 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.95 4.44 0.00 2.82 2.12 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 43 A 8.34 4.09 1.30 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 44 S 8.14 4.54 0.00 4.12 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 45 F 8.58 4.43 0.00 3.24 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.08 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.78 4.38 0.00 2.72 2.80 0.00 0.00 6.58 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.40 4.90 0.00 1.72 1.59 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.68 4.33 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 7.52 4.56 0.00 4.16 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.42 3.94 1.30 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 52 N 8.13 4.27 0.00 2.77 2.93 0.00 0.00 7.01 7.05 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 53 A 7.90 4.05 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 54 I 8.03 3.83 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.28 0.87 0.00 0.00 55 L 7.99 4.11 0.00 1.61 1.57 0.85 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 56 H 7.38 5.03 0.00 3.06 3.28 0.00 5.65 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.77 4.56 0.00 3.01 2.87 0.00 0.00 7.06 7.52 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 58 A 8.64 3.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.01 3.70 0.00 1.60 1.62 0.00 1.30 0.00 0.00 1.42 0.00 0.00 2.62 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.30 0.21 7.81 60 V 8.38 3.82 2.29 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 1.02 0.00 0.00 1.08 0.00 0.00 61 L 7.99 3.96 0.00 1.89 1.70 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.30 4.00 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 63 H 8.90 4.36 0.00 3.57 3.76 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.51 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.02 4.03 0.00 2.26 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 66 K 7.98 4.11 0.00 2.07 1.90 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.66 7.81 67 V 8.04 3.71 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.98 0.00 0.00 68 L 8.39 4.55 0.00 2.00 2.01 1.13 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.03 4.22 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 70 S 8.12 4.23 0.00 4.07 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 71 F 8.55 4.19 0.00 3.41 2.98 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 72 G 8.33 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 0.00 0.00 0.00 73 E 8.12 4.02 0.00 1.90 1.82 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 2.46 2.33 0.00 74 A 7.97 4.24 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 0.00 0.00 75 V 7.36 3.15 1.58 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 0.60 0.00 0.00 0.31 0.00 0.00 76 K 7.77 4.11 0.00 1.74 1.81 0.00 1.85 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.50 1.44 7.81 77 N 7.71 4.97 0.00 2.65 2.58 0.00 0.00 7.03 6.08 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 78 L 7.64 3.85 0.00 1.23 0.62 0.25 0.23 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 79 D 7.96 4.95 0.00 2.71 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 80 N 8.05 5.19 0.00 2.87 2.75 0.00 0.00 6.95 7.47 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 81 I 8.27 3.87 1.98 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 1.64 1.39 0.95 0.00 0.00 82 K 8.23 3.91 0.00 1.79 1.90 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.54 7.81 83 K 8.01 4.15 0.00 1.98 2.05 0.00 1.60 0.00 0.00 1.85 0.00 0.00 3.19 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.73 1.48 7.81 84 T 7.91 3.73 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 0.66 0.00 0.00 85 F 7.99 4.53 0.00 2.99 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.73 3.98 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 87 Q 7.92 3.84 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 88 L 7.86 4.09 0.00 1.94 1.78 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.26 4.01 0.00 3.96 4.05 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 90 E 7.97 3.84 0.00 2.01 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 2.26 2.26 0.00 91 L 7.70 3.87 0.00 1.78 1.81 0.89 1.03 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 92 H 8.48 4.31 0.00 3.32 3.63 0.00 5.85 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 8.03 3.83 0.00 2.63 1.70 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 94 E 8.04 3.81 0.00 1.79 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 2.25 0.00 95 K 7.90 4.20 0.00 1.71 2.01 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.44 7.81 96 L 8.16 4.22 0.00 1.74 1.68 0.75 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.28 4.34 0.00 3.60 3.50 0.00 5.61 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.16 3.81 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 0.43 0.00 0.00 0.14 0.00 0.00 99 D 8.61 4.19 0.00 2.66 2.45 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 0.00 100 P 0.00 2.98 0.00 2.05 2.15 0.00 3.21 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.15 0.00 101 E 8.40 3.90 0.00 2.02 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 2.25 2.37 0.00 102 N 8.06 4.49 0.00 2.78 2.92 0.00 0.00 6.94 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 7.71 4.62 0.00 3.19 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 0.00 104 K 8.11 4.17 0.00 2.00 1.91 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.61 1.61 7.81 105 L 7.80 3.98 0.00 1.76 1.30 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.31 4.20 0.00 1.94 2.02 1.03 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.27 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 0.00 0.00 0.00 108 N 8.48 4.47 0.00 3.08 2.99 0.00 0.00 7.04 6.81 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 0.00 109 I 7.98 3.76 2.11 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.01 0.97 0.00 0.00 110 L 8.15 3.82 0.00 1.55 1.71 0.74 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.74 3.71 2.15 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.30 1.22 0.00 0.00 112 I 7.67 3.70 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.04 0.89 0.00 0.00 113 V 7.93 3.49 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 0.90 0.00 0.00 0.94 0.00 0.00 114 L 7.88 3.74 0.00 0.90 0.76 -0.02 0.46 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 0.00 115 A 7.03 3.83 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 0.00 116 T 7.51 3.90 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 117 H 7.59 4.16 0.00 2.71 2.28 0.00 5.60 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 7.89 4.99 0.00 3.09 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.33 0.00 2.20 2.21 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 120 K 8.15 4.22 0.00 1.86 1.97 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.49 1.45 7.81 121 E 8.27 4.24 0.00 2.08 2.12 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 2.40 2.46 0.00 122 F 8.32 4.59 0.00 3.12 3.08 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 0.00 0.00 0.00 123 T 7.27 4.19 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 1.26 0.00 0.00 124 P 0.00 4.10 0.00 2.11 2.09 0.00 3.55 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 2.08 2.12 0.00 125 A 7.68 3.81 1.12 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 0.00 0.00 126 S 7.15 3.18 0.00 3.63 3.70 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 0.00 127 Q 7.79 3.39 0.00 1.44 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 128 A 7.96 3.95 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 0.00 129 A 7.73 4.05 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 0.00 130 W 8.46 4.03 0.00 3.77 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 0.00 131 T 8.58 4.09 4.45 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 1.29 0.00 0.00 132 K 8.26 4.00 0.00 1.98 2.19 0.00 1.41 0.00 0.00 1.10 0.00 0.00 2.13 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.88 1.17 7.81 133 L 8.08 4.19 0.00 1.80 1.95 1.14 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 134 V 8.30 4.04 2.31 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 0.96 0.00 0.00 1.16 0.00 0.00 135 N 8.50 4.44 0.00 2.92 2.88 0.00 0.00 6.81 7.40 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 0.00 136 A 8.02 3.99 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 7.91 2.93 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 -0.20 0.00 0.00 0.53 0.00 0.00 138 A 8.10 3.89 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 0.00 139 H 8.40 4.09 0.00 3.20 3.51 0.00 5.96 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 0.00 140 A 8.06 4.09 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 0.00 141 L 7.55 3.91 0.00 1.12 0.86 0.12 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.07 4.63 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.72 4.18 0.00 1.89 1.74 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 144 G 7.84 3.74 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 0.00 0.00 0.00 145 Y 8.13 4.68 0.00 3.23 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 0.00 146 H 7.90 4.51 0.00 3.32 3.23 0.00 5.69 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