NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3543 8.2493 123.5833 52.4790 20.0042 176.2701 2 T 4.6304 8.3244 111.2028 60.2072 71.3533 172.2618 3 K 5.3187 8.3709 123.4489 54.7730 36.9841 176.2274 4 A 5.3944 9.2729 124.9323 50.6507 23.5357 174.8525 5 V 5.0457 8.8482 117.3956 60.9187 35.5047 173.6090 6 C 4.9366 9.0287 121.7438 58.1314 35.3173 172.6271 7 V 4.5400 8.4531 126.2834 61.5391 33.0304 174.3241 8 L 4.7669 9.0597 129.4393 54.2166 42.9331 176.3145 9 K 4.9873 9.0910 122.1063 55.4644 37.1037 176.3240 10 G 4.4605 7.9805 108.6323 45.2865 0.0000 171.9449 11 D 4.5070 8.7820 117.9480 56.0250 41.7152 177.0403 12 G 4.1353 7.6533 109.2713 44.3073 0.0000 171.7694 13 P 4.4954 0.0000 0.0000 62.8725 32.0063 175.9468 14 V 4.0149 7.5743 120.3124 63.4792 32.0228 175.1250 15 Q 4.8362 8.9702 126.6778 54.4650 33.1538 174.4913 16 G 4.3985 8.6716 107.9426 45.4298 0.0000 171.8583 17 I 5.0129 8.2557 121.3301 59.3051 40.3696 174.6512 18 I 4.6147 8.6541 128.2460 59.4989 39.7342 174.6058 19 N 4.9645 8.3978 124.5865 51.6216 40.7823 174.0635 20 F 5.4246 9.1074 120.3969 55.7367 43.0622 173.7780 21 E 5.2096 9.8968 123.6536 54.6819 32.9160 174.0542 22 Q 4.8611 9.5241 127.4910 54.2028 30.9201 175.4976 23 K 4.0604 9.0252 126.5009 58.5920 32.7098 177.7291 24 E 4.7899 7.8480 117.0674 53.9686 32.5429 177.0001 25 S 4.4399 8.8920 117.4286 60.5269 63.0269 174.6622 26 N 4.8178 8.2135 116.3840 52.3327 37.4231 174.1248 27 G 4.0540 8.1048 108.8565 43.4497 0.0000 171.7428 28 P 4.6611 0.0000 0.0000 62.4291 32.4295 176.3503 29 V 4.5641 9.0020 122.2376 61.5716 33.3801 174.9709 30 K 4.8653 9.3923 128.2052 55.8966 33.8846 176.0260 31 V 4.8653 9.2025 124.5571 60.9147 34.4592 174.2093 32 W 5.7708 7.5324 123.5053 55.7241 32.0286 174.9262 33 G 4.2475 7.6880 107.2722 45.4171 0.0000 170.6772 34 S 5.2335 7.9003 114.8583 56.6851 65.8456 173.5786 35 I 4.9252 8.7149 125.3441 59.3582 39.7677 175.1178 36 K 4.7444 9.3151 126.3200 55.4618 36.0458 176.3570 37 G 3.5936 8.7484 105.8320 46.3085 0.0000 172.8486 38 L 4.6322 7.8225 121.6193 52.3822 44.0777 175.9715 39 T 4.2375 8.4143 116.3569 61.0410 69.4763 173.6527 40 E 4.0294 8.7228 124.4571 57.7458 30.2059 175.1718 41 G 3.7361 8.2258 110.2139 43.8751 0.0000 172.3518 42 L 4.8367 8.1823 118.7899 54.7232 42.8751 176.6752 43 H 4.9971 9.1808 119.2704 53.7290 32.9784 173.3061 44 G 4.0377 9.2694 111.4255 47.1081 0.0000 172.5930 45 F 5.4105 8.7742 125.1129 57.1210 41.9474 172.6582 46 H 5.2657 8.8782 122.7648 53.7434 33.4512 172.8986 47 V 4.4197 8.5728 122.0192 62.6419 32.4827 175.1601 48 H 5.1064 9.6230 126.1849 54.4765 30.6480 176.0405 49 E 3.6988 8.9667 122.0995 58.6993 29.5985 177.0559 50 F 4.9742 8.2099 118.1438 54.8244 41.6451 176.9464 51 G 4.1528 8.3394 112.2802 44.5072 0.0000 174.5916 52 D 4.7677 7.8987 117.6916 52.7806 42.6039 174.4039 53 N 5.2883 8.6185 124.5033 52.2927 39.2781 177.5439 54 T 3.8884 8.5720 111.9965 63.8868 68.8403 174.5197 55 A 4.6526 7.9169 124.9983 51.4846 19.7385 177.9266 56 G 3.8685 7.9392 110.3945 47.5611 0.0000 175.4487 57 C 4.1533 8.5624 115.0953 62.9875 27.9501 175.7244 58 T 3.9353 7.9820 117.4739 66.6519 67.8800 175.6356 59 S 4.4955 7.8734 111.7125 59.2233 63.5871 175.3151 60 A 4.4342 7.6408 126.9704 54.6629 18.2843 178.6835 61 G 4.1931 8.0925 105.6260 44.4444 0.0000 170.4256 62 P 4.7368 0.0000 0.0000 61.8471 34.2014 175.0471 63 H 4.5484 8.3821 116.5164 55.6564 29.5311 175.5816 64 F 4.2409 9.1038 125.5445 58.3936 40.1967 175.2352 65 N 5.1331 7.9572 125.8301 51.5918 38.9998 172.9862 66 P 4.1275 0.0000 0.0000 65.5238 31.9783 177.9084 67 L 4.2257 7.6204 115.9513 53.9265 42.0178 176.2671 68 S 3.6004 7.5570 114.0586 59.6488 60.7213 171.8757 69 R 4.4615 7.9047 117.8963 54.6272 32.2639 176.5565 70 K 4.4496 9.1850 118.4955 55.8669 33.7027 176.5931 71 H 4.0416 8.8232 123.0185 56.8297 30.5270 174.7777 72 G 4.0651 7.4539 109.6544 45.7005 0.0000 172.1736 73 G 4.1170 9.2635 109.1720 43.5453 0.0000 173.2417 74 P 4.4591 0.0000 0.0000 64.6131 31.3354 178.1977 75 K 4.2037 7.8997 115.2770 57.7585 32.5131 176.8320 76 D 4.6636 7.7434 119.0833 53.3296 41.7226 176.3120 77 E 3.8925 8.7313 123.5255 59.0836 29.5502 176.7161 78 E 4.2248 7.9886 122.2407 55.4735 28.6005 174.8615 79 R 4.8601 7.5912 119.9465 55.5820 32.4433 174.6984 80 H 4.6206 9.1327 116.6381 55.3470 29.3777 177.1391 81 V 3.4531 8.2456 122.4767 66.1061 31.4472 177.2338 82 G 3.8955 8.2507 106.4124 46.1987 0.0000 173.1263 83 D 4.9155 7.9887 121.7682 53.7391 39.1488 176.4501 84 L 4.6234 8.2611 121.1315 54.0684 43.2835 179.1643 85 G 4.0300 8.0384 107.1288 46.3519 0.0000 172.9688 86 N 5.5645 8.6424 120.9398 51.5340 41.5284 174.2829 87 V 4.4153 8.6370 114.1133 59.8760 35.4162 174.7340 88 T 4.9871 8.2584 119.3135 61.8886 70.9187 173.2872 89 A 4.6144 9.0350 129.6121 51.0157 20.8805 177.2827 90 D 4.8169 8.9017 121.7274 52.1078 41.6151 177.2153 91 K 4.0071 8.5395 117.2643 59.4178 32.0551 177.5445 92 D 4.6475 8.2480 116.8779 53.7111 40.9522 175.9394 93 A 4.4772 8.1413 120.2809 53.0400 16.7645 177.5706 94 V 4.9137 8.1132 118.5341 62.5460 34.7708 174.0199 95 A 5.0073 8.9392 129.8879 49.8134 20.9594 175.4228 96 D 4.8940 8.6053 123.7668 53.1249 40.5586 175.9617 97 V 3.6031 8.7453 124.1392 62.8237 33.0667 175.0418 98 S 4.5643 8.3436 122.4970 57.7003 64.0817 172.8284 99 I 4.8431 9.2807 128.1281 59.3935 41.7025 174.1055 100 E 5.2434 8.8431 125.2259 54.5586 32.3632 174.3676 101 D 4.9797 9.4100 125.8099 52.4603 45.0539 175.5350 102 S 4.8180 8.8585 117.7619 58.2020 63.7511 174.5298 103 V 4.0986 8.4951 121.9308 64.9109 32.0769 176.7473 104 I 4.0389 7.8629 111.1296 61.0947 38.2133 174.6719 105 S 4.7009 8.5005 114.5768 57.1079 65.5106 174.1829 106 L 4.5665 9.2963 123.8573 54.4104 41.4876 176.4924 107 S 4.5037 7.9609 112.5417 58.4590 66.5517 176.6021 108 G 3.8456 8.4881 107.8182 46.1528 0.0000 175.4087 109 D 4.3793 8.9198 119.3610 57.8120 41.3206 176.9414 110 H 4.9998 8.0927 114.6122 55.7626 28.9891 174.2564 111 C 4.6688 7.8730 121.2215 59.7629 31.9216 173.3837 112 I 3.9665 8.3319 119.1079 60.2426 37.9251 175.5312 113 I 3.6687 7.3262 122.9433 63.1038 37.4421 176.2689 114 G 3.8202 9.3469 113.5548 45.2812 0.0000 172.7540 115 R 4.9855 7.3643 118.8983 54.5559 33.7838 174.2884 116 T 4.9831 7.8980 115.7548 62.1206 71.4996 173.4848 117 L 4.6052 8.5022 129.0010 54.1361 43.7957 175.3545 118 V 4.9312 8.8934 126.4441 60.9571 34.9379 174.1730 119 V 5.0048 8.5864 127.0439 60.5690 33.5037 175.1343 120 H 5.1373 9.3632 122.4004 54.3770 30.2567 175.1118 121 E 4.2122 9.3996 121.7091 58.9178 30.0774 176.4992 122 K 4.7757 8.4788 117.2912 53.7084 36.2578 175.5380 123 A 4.5182 8.3495 122.2736 52.2932 19.6237 176.1136 124 D 4.9028 9.4270 121.7166 53.4831 42.0220 176.0136 125 D 4.6425 9.3551 125.0491 52.9204 39.6981 176.6525 126 L 3.5598 9.6251 118.4892 56.2772 39.5324 175.5076 127 G 4.0767 8.5236 104.4570 45.9509 0.0000 174.8582 128 K 4.5083 8.0889 117.1079 56.0628 31.9957 177.3472 129 G 3.8407 8.0558 107.9225 44.7505 0.0000 176.1981 130 G 3.9745 8.2903 107.6004 45.4638 0.0000 172.3277 131 N 5.0958 7.2684 115.6868 50.2036 40.5380 174.1623 132 E 4.0464 8.6032 117.9086 59.1166 30.0531 178.1834 133 E 3.9478 8.2394 118.9285 59.2880 29.4465 178.5757 134 S 4.0795 8.6833 113.9223 61.1087 62.4660 175.3486 135 T 4.3397 7.8932 110.5557 62.2567 68.6995 175.6344 136 K 4.2878 7.6999 119.6751 57.8502 34.1411 176.7500 137 T 4.0642 7.8127 106.1553 60.1981 69.9663 175.1083 138 G 3.8118 8.2179 110.0311 45.7517 0.0000 173.6921 139 N 4.3027 7.8600 114.7253 53.9654 36.7279 176.0529 140 A 4.0884 7.1367 121.1559 52.3374 19.2054 180.0645 141 G 3.7981 7.2957 103.5766 44.8431 0.0000 173.5824 142 S 4.2867 8.1583 115.3011 59.3584 64.4273 174.5701 143 R 4.4408 8.4127 121.5436 55.3969 30.0361 176.3531 144 L 4.3191 8.7930 125.8721 57.4034 43.0266 177.1960 145 A 5.1118 7.7103 117.8442 51.3763 22.8096 174.8333 146 C 5.3789 8.4284 113.5788 58.8276 33.6475 172.7849 147 G 4.6070 8.0549 104.3870 46.1003 0.0000 172.5229 148 V 4.3888 8.2622 121.0087 62.3929 32.7377 175.4614 149 I 4.1929 8.8197 129.3724 60.7781 38.0803 175.2493 150 G 4.4501 9.0622 114.4961 43.7938 0.0000 172.1481 151 I 4.2234 8.3647 121.8146 61.3024 37.5046 175.5003 152 A 4.8131 8.6770 128.6978 49.7324 21.9956 176.2430 153 Q 4.0695 8.5006 118.8841 56.4248 29.2222 175.9732 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 A 8.25 4.35 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 2 T 8.32 4.63 4.42 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 0.00 0.00 1.24 0.00 0.00 3 K 8.37 5.32 0.00 1.88 1.75 0.00 1.69 0.00 0.00 1.98 0.00 0.00 2.95 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.55 1.50 7.81 4 A 9.27 5.39 1.07 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 5 V 8.85 5.05 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 0.74 0.00 0.00 0.94 0.00 0.00 6 C 9.03 4.94 0.00 3.14 2.93 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 7 V 8.45 4.54 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 0.93 0.00 0.00 0.92 0.00 0.00 8 L 9.06 4.77 0.00 1.70 1.59 1.04 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.09 4.99 0.00 1.65 1.62 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.38 7.81 10 G 7.98 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.78 4.51 0.00 2.68 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 7.65 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.50 0.00 2.18 2.16 0.00 3.77 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 2.10 1.94 0.00 14 V 7.57 4.01 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 0.83 0.00 0.00 0.95 0.00 0.00 15 Q 8.97 4.84 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.38 0.00 0.00 0.00 0.00 0.00 2.26 2.55 0.00 16 G 8.67 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 0.00 0.00 0.00 17 I 8.26 5.01 1.81 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 1.20 1.06 0.82 0.00 0.00 18 I 8.65 4.61 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.42 0.50 0.00 0.00 19 N 8.40 4.96 0.00 1.44 1.56 0.00 0.00 6.37 8.53 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 20 F 9.11 5.42 0.00 2.90 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 21 E 9.90 5.21 0.00 2.42 2.10 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 2.31 2.51 0.00 22 Q 9.52 4.86 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.56 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 23 K 9.03 4.06 0.00 1.81 1.89 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.48 1.43 7.81 24 E 7.85 4.79 0.00 2.04 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 2.29 2.32 0.00 25 S 8.89 4.44 0.00 3.98 4.03 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 26 N 8.21 4.82 0.00 2.82 2.92 0.00 0.00 5.91 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.10 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 0.00 0.00 0.00 28 P 0.00 4.66 0.00 2.00 2.03 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 29 V 9.00 4.56 2.24 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 1.37 0.00 0.00 1.09 0.00 0.00 30 K 9.39 4.87 0.00 1.91 1.90 0.00 1.51 0.00 0.00 1.48 0.00 0.00 2.61 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.46 1.41 7.81 31 V 9.20 4.87 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 0.79 0.00 0.00 1.08 0.00 0.00 32 W 7.53 5.77 0.00 3.51 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 33 G 7.69 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 0.00 0.00 0.00 0.00 34 S 7.90 5.23 0.00 3.75 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 35 I 8.71 4.93 1.82 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.70 0.90 0.00 0.00 36 K 9.32 4.74 0.00 1.73 1.89 0.00 1.36 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.35 7.81 37 G 8.75 3.59 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 38 L 7.82 4.63 0.00 1.64 1.44 0.73 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.41 4.24 4.27 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 1.24 0.00 0.00 40 E 8.72 4.03 0.00 2.05 1.94 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 2.31 2.51 0.00 41 G 8.23 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 42 L 8.18 4.84 0.00 1.52 1.60 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.18 5.00 0.00 3.02 3.29 0.00 5.63 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 44 G 9.27 4.04 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 0.00 0.00 0.00 45 F 8.77 5.41 0.00 3.02 3.02 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 46 H 8.88 5.27 0.00 3.14 2.86 0.00 5.85 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 47 V 8.57 4.42 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 0.96 0.00 0.00 0.90 0.00 0.00 48 H 9.62 5.11 0.00 3.15 3.42 0.00 5.67 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 49 E 8.97 3.70 0.00 1.69 1.17 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 1.47 1.97 0.00 50 F 8.21 4.97 0.00 3.12 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 51 G 8.34 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 52 D 7.90 4.77 0.00 2.61 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 53 N 8.62 5.29 0.00 2.76 2.75 0.00 0.00 7.37 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 54 T 8.57 3.89 4.22 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 1.23 0.00 0.00 55 A 7.92 4.65 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 56 G 7.94 3.87 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 0.00 0.00 0.00 57 C 8.56 4.15 0.00 2.95 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 58 T 7.98 3.94 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 1.23 0.00 0.00 59 S 7.87 4.50 0.00 4.02 3.97 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 60 A 7.64 4.43 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 61 G 8.09 4.19 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 0.00 0.00 0.00 62 P 0.00 4.74 0.00 2.13 2.19 0.00 3.35 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 63 H 8.38 4.55 0.00 2.87 3.21 0.00 5.74 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 64 F 9.10 4.24 0.00 2.94 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 65 N 7.96 5.13 0.00 2.63 2.45 0.00 0.00 6.92 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 66 P 0.00 4.13 0.00 2.01 2.01 0.00 2.89 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 1.40 0.93 0.00 67 L 7.62 4.23 0.00 1.56 1.69 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.56 3.60 0.00 3.97 3.88 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 0.00 0.00 0.00 69 R 7.90 4.46 0.00 1.95 1.99 0.00 3.23 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 70 K 9.19 4.45 0.00 1.63 1.69 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.37 7.81 71 H 8.82 4.04 0.00 3.14 3.26 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.45 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 73 G 9.26 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 0.00 0.00 0.00 74 P 0.00 4.46 0.00 2.08 2.19 0.00 3.75 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.20 0.00 75 K 7.90 4.20 0.00 1.75 1.86 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.47 7.81 76 D 7.74 4.66 0.00 2.81 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 77 E 8.73 3.89 0.00 1.92 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 2.28 2.29 0.00 78 E 7.99 4.22 0.00 2.06 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 2.33 2.31 0.00 79 R 7.59 4.86 0.00 1.96 1.77 0.00 2.71 0.00 0.00 2.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 80 H 9.13 4.62 0.00 3.50 3.39 0.00 5.65 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.25 3.45 1.46 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 0.74 0.00 0.00 0.44 0.00 0.00 82 G 8.25 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 0.00 0.00 0.00 83 D 7.99 4.92 0.00 2.85 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 84 L 8.26 4.62 0.00 2.07 1.96 1.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.04 4.03 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 0.00 0.00 0.00 86 N 8.64 5.56 0.00 2.61 2.73 0.00 0.00 6.55 7.68 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 87 V 8.64 4.42 1.78 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 -0.20 0.00 0.00 0.80 0.00 0.00 88 T 8.26 4.99 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 1.20 0.00 0.00 89 A 9.03 4.61 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 90 D 8.90 4.82 0.00 2.86 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 91 K 8.54 4.01 0.00 1.77 1.92 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.51 7.81 92 D 8.25 4.65 0.00 2.79 2.67 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 93 A 8.14 4.48 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 94 V 8.11 4.91 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.00 0.00 0.00 95 A 8.94 5.01 1.16 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 0.00 0.00 96 D 8.61 4.89 0.00 2.55 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.75 3.60 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 0.57 0.00 0.00 0.62 0.00 0.00 98 S 8.34 4.56 0.00 3.88 3.71 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 99 I 9.28 4.84 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.49 1.02 0.00 0.00 100 E 8.84 5.24 0.00 1.96 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 0.00 2.21 2.31 0.00 101 D 9.41 4.98 0.00 2.86 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 0.00 102 S 8.86 4.82 0.00 4.01 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 0.00 103 V 8.50 4.10 2.24 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 0.82 0.00 0.00 0.95 0.00 0.00 104 I 7.86 4.04 1.96 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.82 1.04 0.00 0.00 105 S 8.50 4.70 0.00 3.88 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 9.30 4.57 0.00 1.89 1.65 1.03 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.96 4.50 0.00 3.88 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 0.00 108 G 8.49 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 0.00 109 D 8.92 4.38 0.00 2.67 2.79 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 0.00 110 H 8.09 5.00 0.00 3.24 3.40 0.00 5.64 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 0.00 111 C 7.87 4.67 0.00 3.05 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 0.00 112 I 8.33 3.97 1.65 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.12 0.95 0.00 0.00 113 I 7.33 3.67 1.78 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.73 0.88 0.00 0.00 114 G 9.35 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 0.00 0.00 0.00 115 R 7.36 4.99 0.00 1.58 1.81 0.00 2.21 0.00 0.00 2.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.31 0.00 116 T 7.90 4.98 4.23 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 1.27 0.00 0.00 117 L 8.50 4.61 0.00 1.80 1.53 0.31 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.89 4.93 2.10 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 0.77 0.00 0.00 0.74 0.00 0.00 119 V 8.59 5.00 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 0.77 0.00 0.00 1.08 0.00 0.00 120 H 9.36 5.14 0.00 3.21 3.59 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.40 4.21 0.00 2.06 2.10 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 2.36 2.34 0.00 122 K 8.48 4.78 0.00 1.76 1.68 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.37 7.81 123 A 8.35 4.52 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 0.00 124 D 9.43 4.90 0.00 2.76 2.79 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 0.00 125 D 9.36 4.64 0.00 2.91 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 0.00 126 L 9.63 3.56 0.00 1.78 1.80 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.52 4.08 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 0.00 0.00 0.00 128 K 8.09 4.51 0.00 1.86 1.81 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.53 7.81 129 G 8.06 3.84 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 0.00 130 G 8.29 3.97 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 0.00 131 N 7.27 5.10 0.00 2.72 2.80 0.00 0.00 6.82 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 0.00 132 E 8.60 4.05 0.00 2.02 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 2.37 2.29 0.00 133 E 8.24 3.95 0.00 2.11 2.16 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 2.37 2.41 0.00 134 S 8.68 4.08 0.00 4.07 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 7.89 4.34 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 136 K 7.70 4.29 0.00 1.67 1.81 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.66 7.81 137 T 7.81 4.06 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 1.12 0.00 0.00 138 G 8.22 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 N 7.86 4.30 0.00 2.99 2.89 0.00 0.00 6.91 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 0.00 140 A 7.14 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 0.00 141 G 7.30 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 0.00 142 S 8.16 4.29 0.00 3.92 3.84 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 0.00 143 R 8.41 4.44 0.00 1.65 1.80 0.00 3.18 0.00 0.00 3.13 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 144 L 8.79 4.32 0.00 1.73 1.70 0.94 0.93 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 0.00 145 A 7.71 5.11 1.23 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 0.00 146 C 8.43 5.38 0.00 3.01 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 0.00 147 G 8.05 4.61 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 0.00 148 V 8.26 4.39 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 0.76 0.00 0.00 0.91 0.00 0.00 149 I 8.82 4.19 1.78 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.38 0.40 0.00 0.00 150 G 9.06 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 0.00 0.00 0.00 0.00 151 I 8.36 4.22 1.85 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 1.24 0.54 0.91 0.00 0.00 152 A 8.68 4.81 1.16 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 0.00 0.00 153 Q 8.50 4.07 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00