NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4577 8.3049 118.1960 54.7523 32.5799 175.0581 2 L 4.0742 8.1670 120.3514 53.7952 42.7594 175.5516 3 K 4.1685 8.5428 121.4851 56.5775 34.2047 175.3652 4 Q 4.8888 8.8815 126.2557 54.8703 29.9873 174.5397 5 V 4.7404 8.7085 127.1945 61.1969 34.6813 173.9582 6 E 4.7766 9.0547 126.4926 54.9867 31.7253 175.0579 7 I 4.9163 8.3553 124.1927 59.4428 40.9263 174.3997 8 F 5.6106 9.3901 125.1182 55.1614 42.1352 174.4724 9 T 5.3307 8.2816 111.1663 61.0716 71.9508 172.1301 10 D 4.6130 8.6212 118.6604 53.7078 45.2213 174.6858 11 G 4.7984 8.9670 110.7748 44.5392 0.0000 171.9891 12 S 4.9851 9.3928 115.4985 56.6653 67.0034 172.4741 13 C 5.0922 8.4111 120.6489 58.0014 33.7705 174.1508 14 L 4.2880 8.9063 126.3823 57.2228 42.4418 177.6496 15 G 3.7939 7.1041 110.4579 44.0972 0.0000 174.8729 16 N 4.4173 8.1288 111.9135 52.6461 40.1609 172.8055 17 P 4.4997 0.0000 0.0000 62.4097 33.7940 176.0521 18 G 4.1319 7.4458 106.2341 44.0296 0.0000 169.8191 19 P 5.0022 0.0000 0.0000 62.5282 32.3314 176.3325 20 G 4.4271 9.2006 110.0413 45.6289 0.0000 170.9571 21 G 4.8358 8.9821 106.5195 45.7186 0.0000 171.6245 22 Y 5.5159 8.1659 116.8216 55.2217 42.3106 174.5902 23 G 4.6674 9.5269 106.4638 44.7166 0.0000 171.5124 24 A 5.4873 9.4194 124.6726 50.3264 23.3708 174.9819 25 I 5.0843 9.1664 121.6274 59.5787 41.1484 174.3675 26 L 5.2597 9.1651 127.2602 52.9684 44.2327 175.3554 27 R 5.2270 9.1766 124.3907 54.7112 33.2865 173.8166 28 Y 4.9180 8.9420 127.0812 56.4320 42.1898 175.1381 29 R 3.3288 9.4118 127.5431 57.1756 27.8209 176.6105 30 G 4.2041 8.2881 106.6027 45.7252 0.0000 174.7913 31 R 4.1772 7.6866 118.6702 55.9474 30.7485 175.2134 32 E 5.3897 8.5296 120.3699 54.5939 33.0990 175.4484 33 K 4.6146 8.9687 120.4992 54.9816 36.2910 175.4841 34 T 5.0420 8.1290 119.8227 61.7418 71.7502 173.4486 35 F 5.0060 9.0466 122.9176 56.0619 43.1658 173.8748 36 S 4.9897 8.9639 114.7944 58.3084 65.4094 173.2888 37 A 4.3327 7.2172 125.1554 50.8074 22.4469 175.1029 38 G 4.6195 8.1650 106.8685 43.6614 0.0000 171.4255 39 Y 5.2935 9.5253 122.4865 56.0906 40.5669 176.6650 40 T 3.8972 9.1872 115.1363 64.5251 69.6265 173.9146 41 R 4.6819 7.6103 121.4741 54.6627 32.9736 173.5601 42 T 3.9918 8.1456 120.8263 62.0230 71.9461 171.5799 43 T 4.8104 7.9570 109.3295 59.1103 72.2360 174.0950 44 N 4.2238 8.6051 119.1316 57.0899 38.9746 176.2299 45 N 4.0972 8.0983 117.1978 56.7478 38.5060 177.4599 46 R 3.9437 7.7316 119.2153 59.3092 30.1250 178.8718 47 M 4.1808 7.9403 118.1853 57.8844 31.6534 178.5863 48 E 4.0569 8.3842 119.2998 59.2877 29.5466 179.3780 49 L 3.7505 7.7386 118.5346 57.9934 41.6677 178.9306 50 M 3.7472 8.0030 117.8873 58.5434 31.9861 178.0323 51 A 3.4812 7.8348 120.4476 55.1199 18.6103 179.5384 52 A 3.9400 7.4953 118.8437 55.1575 18.4115 179.8242 53 I 3.5441 7.8221 118.4968 64.5573 37.2627 178.7380 54 V 3.3471 7.7469 118.8933 65.7653 31.0819 177.7412 55 A 3.6357 7.4480 119.0969 55.2159 18.5401 179.2908 56 L 3.9282 7.8104 117.2521 58.0191 41.5149 179.7098 57 E 4.0207 8.3425 117.0292 58.6943 29.4090 178.7497 58 A 4.0818 7.4466 119.8130 52.7720 18.4494 177.2653 59 L 4.1870 7.2102 118.4585 54.1742 42.0352 177.1403 60 K 4.3117 8.5757 122.6527 56.6960 32.6939 176.2435 61 E 4.7025 7.5082 115.6116 54.1179 32.7123 174.7356 62 H 4.4857 8.5016 117.0718 56.0515 29.4296 174.5342 63 C 4.9739 8.8878 118.5493 58.0810 33.4018 172.5598 64 E 4.7978 8.8000 120.2876 55.3889 30.6230 175.5704 65 V 4.5868 8.9020 125.4151 61.0094 34.6275 174.4393 66 I 4.4959 8.3893 129.0743 59.7230 38.6418 174.5057 67 L 4.4522 7.9864 128.7043 53.4367 42.8529 175.8823 68 S 5.3998 8.8138 120.3455 56.0169 64.7156 172.7088 69 T 4.8797 8.4004 119.5670 61.0358 70.8277 172.6383 70 D 5.1734 8.6618 123.4546 52.2676 40.2155 176.6043 71 S 4.5428 7.7312 115.9464 58.5634 63.2143 173.4084 72 Q 3.8177 8.7181 130.7458 59.1969 28.9347 177.0376 73 Y 4.2459 8.0666 120.3716 60.7673 38.9304 177.8815 74 V 3.7402 8.0600 118.9588 65.9651 31.6715 177.7611 75 R 2.0000 7.7663 118.3381 59.2733 29.6925 178.5936 76 Q 3.2619 7.6718 117.7453 58.1300 28.2958 179.1064 77 G 2.6873 7.2247 106.9033 47.4161 0.0000 176.0141 78 I 3.5811 7.2927 121.7644 63.9278 37.1756 178.4163 79 T 3.9737 7.1817 109.1996 63.9579 69.0743 175.1348 80 Q 3.7253 7.6099 121.3416 55.8686 28.3375 177.5709 81 W 3.9917 7.6208 122.9802 60.2378 29.5428 177.0212 82 I 3.1640 6.9626 118.4602 64.5933 37.2738 177.0497 83 H 3.9521 7.3437 116.4119 59.0441 28.4812 177.2692 84 N 4.2599 7.9026 117.9343 56.4146 38.7995 176.7195 85 W 4.3811 8.1484 120.6441 59.9190 28.9629 178.6723 86 K 3.1642 8.0832 117.1734 58.8627 31.5196 178.4977 87 A 4.2689 7.6662 118.3756 52.7749 18.4827 177.8638 88 R 4.4068 7.3097 116.7119 55.4401 30.8132 176.9060 89 G 3.8969 8.7124 103.7111 46.1929 0.0000 174.0327 90 W 3.6457 8.4243 117.1242 57.4539 26.2591 174.2980 91 K 4.7985 7.6539 114.5933 54.5793 35.8676 178.8420 92 T 4.2107 8.4052 113.3226 61.5598 69.9468 173.6123 93 A 4.1013 8.6893 122.5104 56.1029 18.6730 180.1931 94 D 4.7108 7.9685 111.4527 53.4016 39.2247 176.1851 95 K 3.7867 7.8765 116.0832 58.4433 29.9337 175.2803 96 K 4.6468 7.3999 119.0925 53.7498 35.1511 173.9041 97 P 4.6160 0.0000 0.0000 62.4518 32.1720 176.5958 98 V 3.4181 7.9455 117.4257 60.7926 32.3638 176.2182 99 K 3.8542 8.5148 125.2648 58.0164 32.5130 176.2571 100 N 4.6471 9.2587 118.4942 53.4886 36.2387 176.7725 101 V 3.6845 7.4569 121.4789 64.8346 30.6642 177.2670 102 D 4.2013 7.9638 119.6887 56.3427 39.3608 178.2693 103 L 4.0338 7.6745 119.7278 56.8279 41.7864 179.1633 104 W 4.2906 8.4903 119.4558 59.9237 29.0270 178.6391 105 Q 4.1247 8.4419 118.2464 58.7920 28.1425 178.7009 106 R 3.9491 7.7643 119.5238 58.9240 30.0958 178.3908 107 L 3.9480 8.1094 120.3386 58.1996 42.0779 178.1146 108 D 4.5661 8.7223 118.2675 57.6276 40.8651 178.3280 109 A 4.0349 7.9351 119.6697 55.1154 18.7634 179.1197 110 A 4.0951 7.8947 119.0280 55.3597 18.4653 179.7836 111 L 4.1080 8.6407 118.0383 57.8761 41.5611 179.5516 112 G 3.8687 7.8180 102.9094 46.2948 0.0000 174.4136 113 Q 4.4507 7.9559 119.6016 55.7060 29.0588 174.0551 114 H 4.9431 7.8480 116.2220 54.5042 34.0740 172.6839 115 Q 4.4828 8.9012 118.5941 54.9399 29.7130 175.3753 116 I 4.6660 8.2269 124.8310 59.4766 40.1126 175.8013 117 K 4.3468 8.3401 125.7835 54.7701 34.9437 175.3818 118 W 4.4181 8.6849 127.6919 56.1630 30.6086 176.1291 119 E 4.2179 8.7830 123.8392 54.1176 31.8278 174.2217 120 W 5.2813 8.3128 127.5354 56.3741 30.1835 176.6118 121 V 4.4903 8.8148 117.8590 59.4175 34.7725 175.0826 122 K 4.2772 8.3408 122.6503 55.1298 33.0574 176.7929 123 G 3.9459 8.6272 117.1110 44.5070 0.0000 172.7444 124 A 3.9520 8.2839 118.9346 52.7911 18.6086 176.6779 125 A 4.2546 7.3087 118.9012 53.4950 17.4109 177.2132 126 G 3.8460 8.9767 109.5925 47.4674 0.0000 172.7882 127 H 4.9017 8.1297 115.5369 52.0459 29.7119 172.1936 128 P 4.2069 0.0000 0.0000 65.5561 31.6629 177.9937 129 E 3.7111 7.7037 116.6465 59.4496 29.3453 179.0124 130 N 4.4625 7.9756 115.9981 56.2765 38.6230 176.9497 131 E 3.9989 8.1986 120.7776 59.3200 29.6341 179.1153 132 R 3.9691 7.9984 118.2119 59.3511 29.9854 178.8372 133 C 4.2180 8.1994 116.7372 62.7833 28.0881 175.5691 134 D 4.3805 8.3078 119.7200 57.2553 40.7986 178.2417 135 E 3.9538 8.2068 119.1020 59.4259 29.5380 179.1865 136 L 3.9702 8.2305 119.0536 57.6977 41.6703 179.4551 137 A 3.9765 8.3547 120.8506 55.4670 18.2030 179.9225 138 R 3.8941 7.9681 114.8317 59.1739 30.3728 179.0361 139 A 4.0851 8.1539 120.3495 55.2259 18.5868 179.4961 140 A 3.8707 8.0903 119.0616 55.3063 18.1376 179.7103 141 A 4.1342 7.8189 118.4288 55.2039 18.4147 179.2960 142 M 4.1305 7.8881 116.4332 57.8010 33.6572 176.5502 143 N 5.0502 7.6505 113.0809 50.7882 39.0096 172.6021 144 P 4.3413 0.0000 0.0000 63.5853 32.1491 176.9555 145 T 4.5561 8.5880 107.4952 60.9309 70.4545 173.3479 146 L 4.7357 7.3344 121.4260 52.9127 45.3341 174.4254 147 E 4.9321 8.5456 120.7591 54.6883 31.3837 176.4661 148 D 4.7012 8.5920 127.0052 52.5991 39.7198 175.7116 149 T 3.8433 8.2869 117.4548 64.6475 67.6207 174.7251 150 G 3.7587 7.6881 106.3233 46.1625 0.0000 173.0323 151 Y 4.0991 8.0755 122.5708 57.5860 38.9232 174.7464 152 Q 4.3803 7.7249 124.7789 53.9320 32.8802 175.5098 153 V 3.7958 7.7266 117.4649 63.2020 31.8922 174.9843 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 8.30 4.46 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 2 L 8.17 4.07 0.00 1.73 1.61 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.54 4.17 0.00 1.34 0.81 0.00 1.33 0.00 0.00 0.62 0.00 0.00 2.65 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.25 7.81 4 Q 8.88 4.89 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 5 V 8.71 4.74 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 1.02 0.00 0.00 0.75 0.00 0.00 6 E 9.05 4.78 0.00 1.97 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 2.21 2.29 0.00 7 I 8.36 4.92 1.60 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.88 0.83 0.00 0.00 8 F 9.39 5.61 0.00 2.99 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 9 T 8.28 5.33 4.34 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 1.26 0.00 0.00 10 D 8.62 4.61 0.00 2.88 2.58 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 11 G 8.97 4.80 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 12 S 9.39 4.99 0.00 3.82 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 13 C 8.41 5.09 0.00 2.96 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 14 L 8.91 4.29 0.00 1.68 1.71 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.10 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 16 N 8.13 4.42 0.00 2.60 2.68 0.00 0.00 6.85 7.69 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 17 P 0.00 4.50 0.00 1.75 1.57 0.00 3.95 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.02 0.00 18 G 7.45 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 0.00 0.00 0.00 0.00 19 P 0.00 5.00 0.00 2.07 1.98 0.00 3.84 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 20 G 9.20 4.43 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 0.00 21 G 8.98 4.84 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 22 Y 8.17 5.52 0.00 3.23 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 23 G 9.53 4.67 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 24 A 9.42 5.49 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 0.00 0.00 0.00 0.00 0.00 25 I 9.17 5.08 2.08 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 1.28 0.79 1.03 0.00 0.00 26 L 9.17 5.26 0.00 1.79 1.66 1.22 1.02 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 27 R 9.18 5.23 0.00 2.08 2.01 0.00 3.11 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 28 Y 8.94 4.92 0.00 2.98 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 29 R 9.41 3.33 0.00 1.38 1.65 0.00 2.75 0.00 0.00 2.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.00 30 G 8.29 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 31 R 7.69 4.18 0.00 2.10 1.89 0.00 3.09 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 32 E 8.53 5.39 0.00 1.81 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 2.24 2.31 0.00 33 K 8.97 4.61 0.00 1.75 1.46 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.33 1.44 7.81 34 T 8.13 5.04 4.10 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 1.18 0.00 0.00 35 F 9.05 5.01 0.00 3.12 3.13 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 0.00 36 S 8.96 4.99 0.00 3.83 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 37 A 7.22 4.33 0.91 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 38 G 8.17 4.62 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 39 Y 9.53 5.29 0.00 2.83 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 40 T 9.19 3.90 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 1.24 0.00 0.00 41 R 7.61 4.68 0.00 1.74 1.75 0.00 3.29 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.47 0.00 42 T 8.15 3.99 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 1.22 0.00 0.00 43 T 7.96 4.81 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 1.28 0.00 0.00 44 N 8.61 4.22 0.00 2.84 2.81 0.00 0.00 6.85 6.71 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 45 N 8.10 4.10 0.00 2.43 1.89 0.00 0.00 7.00 7.66 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 46 R 7.73 3.94 0.00 1.92 1.89 0.00 3.39 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 47 M 7.94 4.18 0.00 2.36 2.25 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.84 0.00 48 E 8.38 4.06 0.00 2.29 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 2.41 2.55 0.00 49 L 7.74 3.75 0.00 1.67 1.45 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.00 3.75 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.63 0.00 51 A 7.83 3.48 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.50 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.82 3.54 1.88 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.57 0.85 0.00 0.00 54 V 7.75 3.35 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.76 0.00 0.00 55 A 7.45 3.64 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 56 L 7.81 3.93 0.00 1.81 1.67 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.34 4.02 0.00 1.77 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 2.29 2.54 0.00 58 A 7.45 4.08 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.21 4.19 0.00 1.71 1.57 0.61 0.86 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 60 K 8.58 4.31 0.00 1.72 1.82 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.36 7.81 61 E 7.51 4.70 0.00 1.98 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 2.09 2.24 0.00 62 H 8.50 4.49 0.00 3.01 3.26 0.00 5.89 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 63 C 8.89 4.97 0.00 2.67 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 64 E 8.80 4.80 0.00 1.90 1.83 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 2.25 2.22 0.00 65 V 8.90 4.59 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 0.68 0.00 0.00 0.68 0.00 0.00 66 I 8.39 4.50 1.67 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 1.11 0.34 0.73 0.00 0.00 67 L 7.99 4.45 0.00 0.57 0.71 -0.04 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.81 5.40 0.00 3.75 3.34 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 69 T 8.40 4.88 4.44 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 1.62 0.00 0.00 70 D 8.66 5.17 0.00 3.00 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 71 S 7.73 4.54 0.00 4.30 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 72 Q 8.72 3.82 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 73 Y 8.07 4.25 0.00 3.21 3.30 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 74 V 8.06 3.74 2.21 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 1.04 0.00 0.00 1.01 0.00 0.00 75 R 7.77 2.00 0.00 1.19 1.43 0.00 2.61 0.00 0.00 2.69 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.50 0.00 76 Q 7.67 3.26 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 1.81 2.06 0.00 77 G 7.22 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 0.00 0.00 0.00 78 I 7.29 3.58 1.47 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 -0.15 0.63 0.00 0.00 79 T 7.18 3.97 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 1.07 0.00 0.00 80 Q 7.61 3.73 0.00 1.27 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.18 6.73 0.00 0.00 0.00 0.00 0.00 2.03 1.87 0.00 81 W 7.62 3.99 0.00 1.78 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 0.00 0.00 0.00 82 I 6.96 3.16 1.67 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.35 0.57 0.00 0.00 83 H 7.34 3.95 0.00 3.11 3.29 0.00 5.87 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.90 4.26 0.00 2.75 2.80 0.00 0.00 7.16 7.95 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 85 W 8.15 4.38 0.00 3.46 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 86 K 8.08 3.16 0.00 1.64 1.55 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.55 7.81 87 A 7.67 4.27 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 88 R 7.31 4.41 0.00 1.91 1.94 0.00 3.40 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.75 0.00 89 G 8.71 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 90 W 8.42 3.65 0.00 3.71 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 91 K 7.65 4.80 0.00 1.84 1.64 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.52 7.81 92 T 8.41 4.21 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 1.10 0.00 0.00 93 A 8.69 4.10 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 94 D 7.97 4.71 0.00 2.78 2.75 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 0.00 0.00 0.00 0.00 95 K 7.88 3.79 0.00 1.92 1.92 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.49 7.81 96 K 7.40 4.65 0.00 1.89 1.57 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.34 7.81 97 P 0.00 4.62 0.00 1.91 1.91 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.08 0.00 98 V 7.95 3.42 0.96 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 -0.13 0.00 0.00 0.86 0.00 0.00 99 K 8.51 3.85 0.00 1.84 1.80 0.00 1.89 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.42 7.81 100 N 9.26 4.65 0.00 3.19 2.93 0.00 0.00 7.36 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 0.00 101 V 7.46 3.68 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 0.69 0.00 0.00 0.45 0.00 0.00 102 D 7.96 4.20 0.00 2.83 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 0.00 103 L 7.67 4.03 0.00 1.66 1.56 0.81 0.89 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 0.00 104 W 8.49 4.29 0.00 3.44 3.45 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 0.00 105 Q 8.44 4.12 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 1.29 1.81 0.00 106 R 7.76 3.95 0.00 2.02 2.01 0.00 3.06 0.00 0.00 3.05 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 107 L 8.11 3.95 0.00 1.88 1.95 1.06 1.03 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 0.00 108 D 8.72 4.57 0.00 3.09 3.13 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 0.00 109 A 7.94 4.03 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 0.00 110 A 7.89 4.10 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 0.00 0.00 0.00 0.00 0.00 111 L 8.64 4.11 0.00 1.94 1.85 1.33 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.82 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 0.00 113 Q 7.96 4.45 0.00 2.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.53 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 114 H 7.85 4.94 0.00 2.92 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.90 4.48 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 116 I 8.23 4.67 1.76 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.71 0.17 0.00 0.00 117 K 8.34 4.35 0.00 1.68 1.46 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.22 1.35 7.81 118 W 8.68 4.42 0.00 2.69 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 0.00 0.00 0.00 119 E 8.78 4.22 0.00 1.78 1.72 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 2.18 2.22 0.00 120 W 8.31 5.28 0.00 3.25 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 0.00 121 V 8.81 4.49 1.71 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 0.97 0.00 0.00 1.01 0.00 0.00 122 K 8.34 4.28 0.00 1.72 1.76 0.00 1.95 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.43 7.81 123 G 8.63 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 0.00 0.00 0.00 124 A 8.28 3.95 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 0.00 125 A 7.31 4.25 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 0.00 126 G 8.98 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 0.00 127 H 8.13 4.90 0.00 3.25 3.39 0.00 5.83 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.21 0.00 2.04 2.05 0.00 3.50 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 2.05 2.14 0.00 129 E 7.70 3.71 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 1.47 2.03 0.00 130 N 7.98 4.46 0.00 3.02 2.96 0.00 0.00 6.72 7.66 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 0.00 131 E 8.20 4.00 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 2.48 2.36 0.00 132 R 8.00 3.97 0.00 2.07 1.95 0.00 3.15 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 133 C 8.20 4.22 0.00 3.27 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 0.00 134 D 8.31 4.38 0.00 2.98 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 0.00 135 E 8.21 3.95 0.00 2.28 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 2.33 2.44 0.00 136 L 8.23 3.97 0.00 1.88 1.73 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.35 3.98 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 0.00 138 R 7.97 3.89 0.00 1.80 2.02 0.00 3.18 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.05 0.00 139 A 8.15 4.09 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 0.00 140 A 8.09 3.87 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 A 7.82 4.13 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 0.00 142 M 7.89 4.13 0.00 1.99 2.24 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.61 0.00 143 N 7.65 5.05 0.00 2.64 2.68 0.00 0.00 6.89 8.02 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 0.00 144 P 0.00 4.34 0.00 2.15 2.12 0.00 3.78 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 145 T 8.59 4.56 4.17 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 1.18 0.00 0.00 146 L 7.33 4.74 0.00 0.77 1.34 0.65 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.55 4.93 0.00 1.95 1.89 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 2.27 2.32 0.00 148 D 8.59 4.70 0.00 2.64 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 0.00 149 T 8.29 3.84 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 1.25 0.00 0.00 150 G 7.69 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.08 4.10 0.00 3.10 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 7.72 4.38 0.00 1.82 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.62 0.00 0.00 0.00 0.00 0.00 2.13 2.39 0.00 153 V 7.73 3.80 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 0.76 0.00 0.00 0.76 0.00 0.00