NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4498 8.1776 115.2930 57.8762 63.5116 174.4323 4 Q 4.0222 8.5885 121.2160 56.1996 28.7840 175.4875 5 I 4.1579 7.1126 109.7845 61.7626 40.0430 177.4264 6 R 4.0903 7.4677 118.4433 56.2117 30.6064 175.0105 7 Q 4.3444 8.7842 124.6440 56.2720 31.8643 173.3105 8 N 4.0265 8.9923 122.0813 54.4886 37.5018 172.9921 9 Y 4.6857 7.3492 117.3707 55.2984 38.5721 175.9871 10 S 4.2666 8.0240 122.9581 58.0825 65.4193 175.1047 11 T 3.9207 8.2571 114.1546 64.7928 68.5017 176.6096 12 D 4.2342 7.8225 121.5649 57.2059 40.8599 178.6071 13 V 3.4421 7.0882 117.5550 65.8926 31.3995 177.3158 14 E 3.7357 7.5788 118.8186 59.4762 29.3040 178.8913 15 A 3.9083 8.0118 120.1930 55.0963 18.5118 179.5218 16 A 3.9430 8.0418 119.3306 54.9747 18.3064 180.2029 17 V 3.5377 8.0611 117.3467 66.3775 31.8171 178.1129 18 N 4.3096 7.8844 116.0722 56.1060 38.2389 177.4929 19 S 4.0413 8.1440 114.7686 61.3020 62.4761 175.9861 20 L 3.9593 8.0291 123.1154 57.8872 41.7620 178.8913 21 V 3.7406 8.2423 118.8277 66.2035 31.4748 177.4884 22 N 4.2781 7.9926 116.1330 56.6023 38.7485 176.4599 23 L 3.9482 7.8430 121.7215 58.5198 42.1673 178.6677 24 Y 4.2287 8.5544 117.0252 60.9210 37.9575 178.0956 25 L 4.1816 8.3553 120.2610 57.6834 41.5529 179.4196 26 Q 4.0546 8.3714 119.3376 59.2361 29.1223 178.0058 27 A 3.9327 8.0299 123.2062 54.5960 18.4360 179.4550 28 S 4.3132 8.8680 112.1184 61.8369 62.5424 175.8583 29 Y 4.3695 8.0539 121.7378 61.0043 38.1857 177.7052 30 T 3.8456 8.1681 116.9379 67.2757 68.5285 176.1296 31 Y 4.1824 7.8229 118.1578 60.9099 37.8481 178.4124 32 L 4.0423 8.1230 121.0680 58.0860 42.1745 179.0974 33 S 4.3200 8.3341 113.0511 61.5371 62.2781 175.7898 34 L 3.4973 7.6955 120.4445 57.7839 41.3660 179.5707 35 G 3.8879 8.8553 105.8213 48.1688 0.0000 175.7243 36 F 4.3474 8.2621 120.0299 59.0883 38.9648 177.2898 37 Y 4.3382 8.1991 120.1689 60.8225 38.7426 177.5242 38 F 4.1780 7.9056 117.2879 59.0623 38.9095 176.3105 39 D 4.6204 7.6313 116.8355 54.2916 41.9031 176.4697 40 R 4.1283 7.4002 118.9902 56.6036 30.6691 177.4797 41 D 4.5801 8.7531 121.6755 56.2996 39.4869 177.1808 42 D 4.4954 8.0419 117.0883 54.4695 39.9390 176.6141 43 V 3.8178 7.5148 118.0871 64.0666 33.0076 175.1736 44 A 3.8173 8.3732 121.3904 53.0886 16.1515 177.8454 45 L 4.7564 8.2704 121.5774 50.6470 43.2502 177.0156 46 E 4.0331 8.5656 122.9353 59.2436 29.7862 178.1012 47 G 3.5480 7.9813 104.9496 48.0300 0.0000 175.7367 48 V 3.4149 7.5128 120.9462 65.0352 31.4639 177.6775 49 S 4.2638 8.1624 113.1024 61.8929 62.2951 175.6462 50 H 4.0003 8.6125 121.1384 59.0815 29.6756 176.8132 51 F 4.2459 8.1224 122.3373 61.6131 39.1335 177.2870 52 F 3.8735 8.0870 117.2239 60.2902 38.7561 178.0274 53 R 3.9166 8.1890 118.0389 59.0946 29.7854 178.9328 54 E 3.8797 8.0144 118.5840 59.1785 29.3765 179.2715 55 L 3.6587 7.3151 118.3581 57.4927 41.5613 179.2343 56 A 4.2141 8.0947 120.9121 55.4995 18.4458 179.3819 57 E 3.9563 8.0820 116.9751 59.1175 29.7387 178.8434 58 E 3.9442 8.0929 119.0373 59.1447 29.5336 179.3121 59 K 4.1039 8.3870 118.8062 59.1990 31.9942 179.3518 60 R 2.8986 7.7444 119.0619 59.1827 29.8548 178.2736 61 E 4.2855 7.3140 118.6749 57.5615 29.3057 179.5088 62 G 3.3974 7.3865 106.3892 47.9260 0.0000 175.6222 63 Y 4.2941 7.6096 121.0627 59.4596 38.0043 177.9485 64 E 4.1659 7.7842 120.8050 59.2638 29.5193 179.1624 65 R 4.1659 7.8221 117.5565 59.0725 30.1382 178.6210 66 L 4.2196 7.9210 119.2142 57.9496 41.7383 179.4381 67 L 4.0651 8.4586 119.3039 57.4280 41.5875 179.5362 68 K 3.9299 8.0681 119.3458 59.8503 32.2333 178.5493 69 M 3.8850 8.1350 118.4241 58.4119 31.9678 177.5490 70 Q 3.8297 7.9639 119.7322 59.6959 29.0779 178.6356 71 N 4.5123 8.0206 116.5485 56.2763 38.3015 177.5629 72 Q 3.9355 7.5974 118.7992 58.8130 29.1698 178.4435 73 R 3.8371 7.6995 118.4199 56.8179 29.8539 178.0580 74 G 4.0670 7.4011 106.3017 44.8755 0.0000 174.0973 75 G 4.5906 7.6207 107.8789 44.6780 0.0000 173.3726 76 R 4.5790 8.1905 118.5486 53.7880 32.5257 176.1394 77 A 4.2582 8.4931 125.6051 51.7689 19.1590 176.7282 78 L 4.6396 8.1414 121.8943 52.9373 44.5224 176.2497 79 F 4.7437 8.7940 122.3571 55.9785 40.6786 174.9511 80 Q 4.7650 8.2398 121.5149 53.5361 32.5269 174.8873 81 D 4.4181 8.5413 118.5351 54.8620 41.2242 176.8879 82 I 4.2582 8.0434 123.3841 59.2447 37.2008 175.7198 83 K 3.9688 8.5872 127.6117 55.8698 32.4549 176.8061 84 K 3.7366 8.4322 125.1539 55.8066 32.8799 174.7298 85 P 4.2987 0.0000 0.0000 62.3932 31.6685 177.6599 86 A 4.0466 8.5242 123.8662 54.0514 18.4156 176.6723 87 E 4.3054 7.0287 113.2870 54.7945 33.6761 174.5609 88 D 4.5821 7.8094 117.1930 54.1901 43.3360 176.7135 89 E 3.8156 7.1066 116.9374 54.1862 32.7243 175.1219 90 W 4.5057 6.6802 121.8080 55.7059 30.3639 178.1986 91 G 3.7857 7.5061 106.5220 47.1879 0.0000 174.4364 92 K 4.6513 8.4737 124.1331 55.2154 34.9125 177.4551 93 T 4.0942 8.6331 116.1367 66.8434 68.3880 174.7733 94 P 4.3485 0.0000 0.0000 65.8357 31.3723 178.4061 95 D 4.4398 8.2579 116.7676 57.2955 40.9151 178.3072 96 A 4.1671 8.2557 121.2942 55.6617 18.4410 179.3125 97 M 4.3328 8.4998 116.5816 58.9196 32.2810 178.5170 98 K 4.0711 8.2261 118.0538 59.3265 32.1285 179.1453 99 A 4.0468 8.2234 120.7966 55.2878 18.4242 179.5414 100 A 4.0555 8.2285 119.2908 55.4171 18.4660 179.4681 101 M 4.0424 8.7026 116.9316 58.9596 32.3973 178.4052 102 A 4.0409 8.2642 120.9429 55.0422 18.5377 179.2708 103 L 3.9118 8.2943 119.1478 58.2927 42.0038 179.2275 104 E 4.0368 8.3974 118.5319 59.4557 29.4147 179.3384 105 K 3.6657 8.0933 118.5376 59.2054 31.9429 179.2836 106 K 3.8975 8.1979 119.8564 59.5044 32.1413 178.8086 107 L 3.7912 7.8117 119.1268 57.8731 41.5839 179.0097 108 N 4.3320 8.9671 117.9913 56.7466 38.7070 176.6884 109 Q 3.9231 8.3896 120.9950 59.1445 29.2120 177.8065 110 A 3.9613 8.1870 122.1477 55.2347 18.3356 179.6974 111 L 3.9382 8.3158 117.7345 58.0495 41.7708 179.7645 112 L 4.0935 8.1034 118.8625 57.7084 41.4613 179.4257 113 D 4.3479 8.4213 119.3699 57.3185 40.8160 178.5131 114 L 3.9842 7.9598 120.8855 58.2027 42.0386 178.5905 115 H 4.1342 8.3934 118.1635 59.2013 29.9081 177.1160 116 A 4.0503 8.1056 122.6720 55.0693 18.2545 179.2997 117 L 3.9974 8.1962 119.0451 58.3004 42.0935 179.5386 118 G 3.6104 8.0886 105.6978 47.8503 0.0000 175.9485 119 S 4.1439 8.2050 117.3017 61.1539 62.5828 176.6110 120 A 4.0224 7.7176 122.5671 55.2028 18.2820 179.2027 121 R 4.1487 7.6882 112.9136 55.4083 31.2108 176.8162 122 T 3.4395 7.3409 108.1849 63.2489 67.8237 173.8747 123 D 4.8708 8.2228 121.5553 51.9265 41.3935 173.9882 124 P 4.2986 0.0000 0.0000 65.5160 31.4096 178.0024 125 H 4.1448 8.2111 117.7581 59.0803 29.8861 176.8702 126 L 4.1410 8.1574 121.7597 58.1284 41.8985 178.5223 127 C 4.1643 7.9104 116.7245 62.8909 28.1304 175.3417 128 D 4.3655 8.2932 119.5629 57.4455 40.7757 178.0036 129 F 4.1218 8.6561 121.3569 61.6092 39.4159 177.1868 130 L 4.4214 8.5396 118.4975 57.7429 41.2069 179.3915 131 E 4.0041 8.4396 118.2572 59.6362 29.5092 179.2872 132 T 3.8750 8.1024 114.8255 66.5662 68.7237 175.8820 133 H 4.4418 7.5092 114.0194 55.4127 29.6497 174.9207 134 F 4.7434 7.5774 117.4561 58.6920 41.5935 176.6660 135 L 4.0306 8.7551 120.7908 58.3900 41.4357 179.3735 136 D 4.3676 8.0639 116.8168 57.0396 41.2602 177.8892 137 E 4.0029 8.1414 118.8892 59.2175 29.4153 179.0524 138 E 4.0081 8.3495 118.7120 59.4741 29.6992 179.3270 139 V 3.6423 7.5365 118.3805 66.0370 31.4513 178.2890 140 K 3.9669 8.1144 118.0884 59.3554 31.9721 179.1058 141 L 3.9785 7.9291 120.6268 58.1717 42.0053 178.7357 142 I 3.7104 8.1813 120.1489 64.4776 37.0954 177.9020 143 K 3.8281 7.9705 119.9224 59.7106 31.9593 178.5400 144 K 3.8715 8.2550 119.6232 59.9250 32.0722 178.6897 145 M 4.3817 8.3862 118.9443 57.9730 31.9527 179.0276 146 G 3.6229 8.1808 106.3582 47.7318 0.0000 175.5371 147 D 4.3308 8.2319 121.3774 57.3777 40.8331 178.4973 148 H 4.0649 7.9956 116.5331 58.9339 28.6690 177.5146 149 L 4.0174 8.2422 121.0031 58.4262 41.6074 179.8840 150 T 3.8618 7.7888 114.9227 66.8904 68.1940 176.5539 151 N 4.4097 7.9778 117.0450 55.9817 38.8592 177.4023 152 L 4.1200 8.3965 120.9707 58.2075 41.6018 178.9740 153 H 4.1181 8.2689 116.8655 59.2686 29.9316 176.8943 154 R 4.1460 7.9626 120.4567 59.1136 29.6036 178.5553 155 L 4.4732 7.5544 114.7172 54.9653 41.4409 177.3393 156 G 3.7179 8.2487 114.8807 45.7174 0.0000 173.5737 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 3 S 8.18 4.45 0.00 3.98 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 4 Q 8.59 4.02 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 5 I 7.11 4.16 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.66 0.90 0.00 0.00 6 R 7.47 4.09 0.00 1.83 1.94 0.00 3.15 0.00 0.00 3.85 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 7 Q 8.78 4.34 0.00 2.19 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.10 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 8 N 8.99 4.03 0.00 2.88 2.88 0.00 0.00 7.01 7.54 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 9 Y 7.35 4.69 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 10 S 8.02 4.27 0.00 3.98 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 11 T 8.26 3.92 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 12 D 7.82 4.23 0.00 2.66 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 13 V 7.09 3.44 1.81 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 1.10 0.00 0.00 0.86 0.00 0.00 14 E 7.58 3.74 0.00 1.72 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 0.00 2.27 2.65 0.00 15 A 8.01 3.91 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 16 A 8.04 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 17 V 8.06 3.54 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 1.07 0.00 0.00 1.06 0.00 0.00 18 N 7.88 4.31 0.00 2.80 2.72 0.00 0.00 6.73 8.13 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 19 S 8.14 4.04 0.00 4.02 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 20 L 8.03 3.96 0.00 1.91 1.85 0.80 0.69 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 21 V 8.24 3.74 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 0.91 0.00 0.00 0.98 0.00 0.00 22 N 7.99 4.28 0.00 2.81 2.99 0.00 0.00 6.91 6.29 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 23 L 7.84 3.95 0.00 1.92 1.73 0.86 0.91 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 24 Y 8.55 4.23 0.00 3.34 3.32 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 25 L 8.36 4.18 0.00 1.93 1.68 0.94 -0.16 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 26 Q 8.37 4.05 0.00 2.19 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 27 A 8.03 3.93 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 28 S 8.87 4.31 0.00 4.35 4.36 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 29 Y 8.05 4.37 0.00 3.26 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 30 T 8.17 3.85 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 31 Y 7.82 4.18 0.00 3.09 3.20 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 32 L 8.12 4.04 0.00 2.09 2.20 1.35 0.93 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 33 S 8.33 4.32 0.00 4.15 4.33 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 34 L 7.70 3.50 0.00 1.44 1.04 0.11 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.86 3.89 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 0.00 0.00 0.00 36 F 8.26 4.35 0.00 3.33 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 8.20 4.34 0.00 3.21 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 38 F 7.91 4.18 0.00 3.15 3.18 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 39 D 7.63 4.62 0.00 2.65 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 40 R 7.40 4.13 0.00 1.90 2.02 0.00 3.45 0.00 0.00 3.55 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.96 0.00 41 D 8.75 4.58 0.00 2.80 2.83 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 42 D 8.04 4.50 0.00 2.83 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 43 V 7.51 3.82 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 0.72 0.00 0.00 0.44 0.00 0.00 44 A 8.37 3.82 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 45 L 8.27 4.76 0.00 1.78 1.51 1.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.57 4.03 0.00 2.03 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 2.37 2.41 0.00 47 G 7.98 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 48 V 7.51 3.41 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 0.57 0.00 0.00 0.64 0.00 0.00 49 S 8.16 4.26 0.00 4.11 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.61 4.00 0.00 3.32 3.41 0.00 5.65 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.12 4.25 0.00 2.96 2.82 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 52 F 8.09 3.87 0.00 3.22 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.19 3.92 0.00 1.86 1.87 0.00 2.65 0.00 0.00 2.98 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.85 0.00 54 E 8.01 3.88 0.00 1.97 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 2.19 2.42 0.00 55 L 7.32 3.66 0.00 1.05 0.58 -0.41 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.09 4.21 1.57 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 0.00 0.00 57 E 8.08 3.96 0.00 2.23 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 2.27 2.34 0.00 58 E 8.09 3.94 0.00 2.16 1.92 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 2.25 2.46 0.00 59 K 8.39 4.10 0.00 2.14 2.24 0.00 2.30 0.00 0.00 1.95 0.00 0.00 3.09 0.00 0.00 3.60 0.00 0.00 0.00 0.00 1.95 2.05 7.81 60 R 7.74 2.90 0.00 2.00 1.99 0.00 3.10 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.71 0.00 61 E 7.31 4.29 0.00 2.10 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.17 0.00 62 G 7.39 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 7.61 4.29 0.00 3.28 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 64 E 7.78 4.17 0.00 1.93 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 2.47 2.35 0.00 65 R 7.82 4.17 0.00 2.04 2.27 0.00 2.62 0.00 0.00 2.50 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.65 0.00 66 L 7.92 4.22 0.00 2.09 1.80 1.02 0.57 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 67 L 8.46 4.07 0.00 1.82 1.84 1.28 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.07 3.93 0.00 2.24 2.03 0.00 1.57 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.53 7.81 69 M 8.13 3.89 0.00 1.67 1.51 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.21 0.00 70 Q 7.96 3.83 0.00 2.34 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 71 N 8.02 4.51 0.00 2.85 2.84 0.00 0.00 7.15 8.03 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 72 Q 7.60 3.94 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.01 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 73 R 7.70 3.84 0.00 0.83 0.66 0.00 2.88 0.00 0.00 2.81 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.88 0.00 74 G 7.40 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 0.00 0.00 0.00 75 G 7.62 4.59 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 0.00 76 R 8.19 4.58 0.00 1.72 1.84 0.00 3.35 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 77 A 8.49 4.26 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 78 L 8.14 4.64 0.00 1.50 1.50 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.79 4.74 0.00 3.01 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 80 Q 8.24 4.77 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.97 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 81 D 8.54 4.42 0.00 2.69 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 82 I 8.04 4.26 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.57 1.11 0.00 0.00 83 K 8.59 3.97 0.00 1.73 1.74 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.42 7.81 84 K 8.43 3.74 0.00 1.63 1.72 0.00 1.50 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.32 1.33 7.81 85 P 0.00 4.30 0.00 2.34 2.29 0.00 3.22 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.80 0.00 86 A 8.52 4.05 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 87 E 7.03 4.31 0.00 1.16 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 1.75 1.84 0.00 88 D 7.81 4.58 0.00 2.37 2.49 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 89 E 7.11 3.82 0.00 1.56 1.42 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 0.00 2.05 2.09 0.00 90 W 6.68 4.51 0.00 3.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 G 7.51 3.79 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 0.00 92 K 8.47 4.65 0.00 2.11 1.90 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.58 7.81 93 T 8.63 4.09 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 94 P 0.00 4.35 0.00 2.24 2.18 0.00 3.66 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 95 D 8.26 4.44 0.00 3.19 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.26 4.17 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 M 8.50 4.33 0.00 2.28 2.33 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.70 0.00 98 K 8.23 4.07 0.00 2.17 1.93 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.84 7.81 99 A 8.22 4.05 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 0.00 100 A 8.23 4.06 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 M 8.70 4.04 0.00 2.39 2.22 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.67 0.00 102 A 8.26 4.04 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.29 3.91 0.00 1.83 1.90 0.84 0.78 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 0.00 104 E 8.40 4.04 0.00 2.31 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 2.75 2.63 0.00 105 K 8.09 3.67 0.00 2.00 1.89 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.68 7.81 106 K 8.20 3.90 0.00 1.94 2.01 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.46 7.81 107 L 7.81 3.79 0.00 1.89 1.50 0.88 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.97 4.33 0.00 2.91 2.99 0.00 0.00 6.92 7.02 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 0.00 109 Q 8.39 3.92 0.00 2.33 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 110 A 8.19 3.96 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 0.00 111 L 8.32 3.94 0.00 1.93 1.79 1.11 0.33 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 0.00 112 L 8.10 4.09 0.00 1.87 1.74 0.94 0.94 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 0.00 113 D 8.42 4.35 0.00 2.92 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 0.00 114 L 7.96 3.98 0.00 1.88 1.90 0.93 1.03 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 0.00 115 H 8.39 4.13 0.00 3.40 3.48 0.00 5.64 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 0.00 116 A 8.11 4.05 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 0.00 117 L 8.20 4.00 0.00 1.87 1.84 0.89 0.90 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 0.00 118 G 8.09 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 0.00 0.00 0.00 119 S 8.21 4.14 0.00 4.04 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 A 7.72 4.02 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 0.00 121 R 7.69 4.15 0.00 1.82 1.95 0.00 3.44 0.00 0.00 3.25 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.73 0.00 122 T 7.34 3.44 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 0.00 123 D 8.22 4.87 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 0.00 124 P 0.00 4.30 0.00 2.34 2.33 0.00 3.83 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 2.12 2.06 0.00 125 H 8.21 4.14 0.00 3.25 3.36 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.16 4.14 0.00 2.00 1.77 0.98 1.05 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 0.00 127 C 7.91 4.16 0.00 3.22 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 0.00 128 D 8.29 4.37 0.00 2.89 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 0.00 129 F 8.66 4.12 0.00 3.21 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 0.00 130 L 8.54 4.42 0.00 2.09 1.90 1.11 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.44 4.00 0.00 2.13 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 2.37 2.61 0.00 132 T 8.10 3.87 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 0.83 0.00 0.00 133 H 7.51 4.44 0.00 2.19 2.55 0.00 5.60 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 7.58 4.74 0.00 3.26 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 0.00 135 L 8.76 4.03 0.00 1.67 1.78 0.90 1.01 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 0.00 136 D 8.06 4.37 0.00 2.73 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.14 4.00 0.00 2.20 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 2.29 2.28 0.00 138 E 8.35 4.01 0.00 2.26 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 2.67 2.62 0.00 139 V 7.54 3.64 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 1.04 0.00 0.00 1.02 0.00 0.00 140 K 8.11 3.97 0.00 1.94 1.84 0.00 1.71 0.00 0.00 1.56 0.00 0.00 3.27 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.53 7.81 141 L 7.93 3.98 0.00 1.92 1.88 0.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 142 I 8.18 3.71 2.10 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 1.47 0.97 0.95 0.00 0.00 143 K 7.97 3.83 0.00 1.97 2.10 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.50 7.81 144 K 8.25 3.87 0.00 1.98 1.98 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.42 7.81 145 M 8.39 4.38 0.00 2.25 2.20 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 2.82 2.80 0.00 146 G 8.18 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.23 4.33 0.00 2.84 2.61 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 0.00 148 H 8.00 4.06 0.00 3.31 3.22 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 0.00 149 L 8.24 4.02 0.00 1.93 1.78 0.99 0.69 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 0.00 150 T 7.79 3.86 4.39 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 1.20 0.00 0.00 151 N 7.98 4.41 0.00 2.82 2.86 0.00 0.00 7.13 7.90 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 0.00 152 L 8.40 4.12 0.00 1.84 1.74 0.93 0.84 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 0.00 153 H 8.27 4.12 0.00 3.25 3.47 0.00 5.76 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 R 7.96 4.15 0.00 2.08 2.07 0.00 3.14 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 155 L 7.55 4.47 0.00 1.84 1.67 0.91 0.87 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 0.00 156 G 8.25 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00