NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9180 8.3393 109.7395 45.0656 0.0000 173.0665 2 S 4.2772 8.3054 114.6266 56.1385 63.8624 171.5207 3 P 4.3220 0.0000 0.0000 62.8243 32.4089 177.5483 4 E 4.2367 8.6265 123.0752 56.1707 30.3472 175.6185 5 F 5.0013 7.7705 117.8781 55.7828 40.8616 172.7642 6 M 4.8228 8.6425 121.2236 54.0651 34.0514 174.6589 7 E 4.9704 9.3914 124.1116 54.6008 33.7408 174.6153 8 L 4.9454 8.4528 121.3547 53.4530 43.7929 175.8450 9 E 4.4058 9.1171 125.6035 55.0461 30.8118 174.7560 10 I 4.7777 8.3290 128.9856 60.1297 38.6226 176.3279 11 R 4.7467 8.9658 127.4150 52.8932 30.8308 171.9576 12 P 4.6068 0.0000 0.0000 63.3353 31.9880 174.2472 13 L 4.6674 8.8270 124.8255 56.4319 44.6061 175.3853 14 F 5.1287 8.5319 117.8381 56.5564 40.7805 174.3531 15 L 4.9924 8.9557 122.8333 52.8458 45.0282 175.5585 16 V 4.9772 8.9637 124.7362 59.7428 33.3235 172.9816 17 P 5.2121 0.0000 0.0000 61.3938 33.0179 175.1015 18 D 4.8296 8.3021 120.7242 52.4694 42.1416 177.3934 19 T 3.9689 8.6163 114.4930 66.9420 68.2571 176.2267 20 N 4.5503 8.4183 118.5721 56.6711 38.8835 176.9125 21 G 3.5616 8.2737 107.2499 47.7272 0.0000 175.7904 22 F 4.1277 7.6396 118.9038 60.3547 39.0375 177.5932 23 I 3.9034 7.8470 118.5641 64.0065 37.0093 177.4117 24 D 4.7505 8.2903 117.8021 55.0133 41.7482 177.0782 25 H 4.9467 8.1284 116.0839 54.3365 30.9415 175.0953 26 L 3.7679 8.4894 122.9975 58.5226 41.6772 178.2059 27 A 3.8569 7.9001 119.7626 55.2825 18.3066 179.6741 28 S 4.0134 7.8939 112.9879 61.7189 62.9763 176.5538 29 L 3.8852 7.8475 121.4117 57.8351 41.2366 179.4786 30 A 4.0565 7.8864 120.5465 55.3073 18.2998 179.9526 31 R 3.9188 7.9507 116.5117 59.2342 29.8673 179.3591 32 L 4.1240 7.8314 118.0930 57.7522 41.7455 178.8849 33 L 4.1897 8.2380 120.4262 58.3507 41.8390 178.9070 34 E 4.0881 8.5555 117.9113 58.9278 29.4165 179.0084 35 S 4.1910 7.7920 113.5102 59.4871 62.9710 175.6254 36 R 3.9384 7.5079 118.1733 56.4719 28.0791 176.7860 37 K 4.0316 7.7009 116.7011 57.0898 32.6566 175.9682 38 Y 4.9870 7.3918 114.5828 56.1143 42.3345 174.8352 39 I 4.5240 8.6354 122.6416 59.6289 39.3846 174.7670 40 L 4.5932 8.9621 131.2090 54.4738 43.3643 175.5335 41 V 4.7645 8.9120 127.1273 61.2878 33.8996 174.3180 42 V 4.4252 8.8466 129.9834 60.7918 32.9591 173.7472 43 P 4.8076 0.0000 0.0000 62.3264 32.0576 177.2959 44 L 3.9581 8.8479 124.6304 58.2510 41.9175 179.2571 45 I 3.7881 7.7826 118.1401 63.7505 37.8699 177.9619 46 V 3.7128 7.7649 120.7709 65.4117 31.3229 178.0488 47 I 3.5962 7.6691 119.0934 64.3496 36.9385 177.9279 48 N 4.2866 8.5554 117.7352 56.3481 38.3359 177.2607 49 E 3.9538 8.2124 119.8242 59.4113 29.5008 179.3823 50 L 3.9535 7.9496 118.8942 57.9500 41.6694 179.2791 51 D 4.4196 8.4041 119.1537 57.2643 40.2068 179.1713 52 G 3.5871 8.0736 106.1106 47.9276 0.0000 175.7653 53 L 4.0392 8.1369 121.7251 57.3762 41.3673 179.5500 54 A 3.9977 8.0152 120.1901 54.5976 18.3310 179.4295 55 K 4.0484 7.7982 117.9818 59.7539 32.6588 176.0361 56 G 3.5126 7.3503 100.9573 44.1530 0.0000 172.2182 *63 A 4.0328 8.0948 120.4252 52.8629 19.6995 178.7174 64 G 3.7601 8.6046 106.6775 45.7722 0.0000 172.7683 65 G 4.1564 8.5464 108.1461 46.3451 0.0000 174.2115 66 Y 3.9486 8.8024 118.1220 60.8044 38.7365 178.8043 67 A 3.9556 8.0777 121.1228 55.0875 18.5403 179.3455 68 R 3.7514 7.5977 115.9837 59.4681 30.2367 178.7373 69 V 3.4957 7.5463 118.1882 66.1457 31.4268 178.4655 70 V 3.5012 7.3837 118.6889 64.5648 31.2032 178.0312 71 Q 4.2503 8.2537 124.2248 59.0672 28.8085 178.8176 72 E 3.9680 8.2691 119.3271 61.0591 29.7953 181.1023 73 K 4.1115 7.9349 119.4892 59.2630 32.0484 179.3752 74 A 4.0033 8.2903 121.2383 55.1764 18.2188 179.8989 75 R 3.8619 8.1658 116.6738 59.3853 30.1223 179.4626 76 K 4.0128 8.3256 118.4141 59.4373 32.0005 179.6561 77 S 4.2757 8.1232 115.4623 61.7917 62.8139 176.7966 78 I 3.6755 7.9348 122.6008 64.2437 36.7162 178.0639 79 E 3.9499 8.4964 120.4245 59.1617 29.4720 178.6379 80 F 4.2312 8.3200 120.5807 61.4571 39.4527 177.0718 81 L 3.8435 8.1761 118.5254 57.7995 41.3348 179.4618 82 E 3.9621 8.6646 118.9170 59.3393 29.3968 179.0047 83 Q 3.9248 8.2593 119.8395 59.4228 29.1002 178.8910 84 R 3.7377 7.7073 118.8092 59.2068 30.0817 179.0532 85 F 4.1016 8.3292 117.9067 60.5301 38.6316 177.3954 86 E 4.0595 8.3678 118.4011 59.0853 29.5033 178.2282 87 S 4.3405 7.8824 112.1304 57.7374 63.6455 174.1683 88 R 3.7083 7.8707 120.2981 56.8906 28.0916 176.8004 89 D 4.2924 7.9393 117.4789 54.5051 41.6704 176.5439 90 S 4.4368 8.6780 120.5372 59.8191 63.5121 174.2027 91 C 4.7067 8.6775 119.0972 59.2572 28.3659 172.3813 92 L 5.0925 7.6563 121.6144 53.5027 44.0875 175.8293 93 R 5.2864 9.2062 123.9259 54.5627 34.9758 173.9845 94 A 5.4395 8.8703 121.1944 50.2262 22.7947 175.1719 95 L 5.2246 8.5271 121.1813 53.1988 45.1401 176.7816 96 T 4.4559 8.8773 117.0274 61.2496 69.5246 175.6406 97 S 4.1427 8.4784 117.7331 61.3984 62.8720 175.7298 98 R 4.2153 7.9400 116.7829 56.2112 30.0713 176.6916 99 G 3.7485 8.2001 106.3432 45.4730 0.0000 172.7554 100 N 4.8781 8.0316 117.3548 51.3163 40.4039 174.4018 101 E 4.7634 8.8245 123.7430 56.1122 30.8624 175.9809 102 L 4.8224 9.1479 124.2654 53.1189 44.5204 176.9694 103 E 4.8595 8.9776 121.1714 56.2542 30.2888 175.6720 104 S 4.6081 7.4457 112.3543 57.1351 66.0367 173.7773 105 I 4.2040 7.6059 111.4087 59.5373 38.7227 174.8451 106 A 3.3364 7.6839 123.7581 54.1483 18.2241 177.3851 107 F 3.9662 7.9765 119.9261 58.4719 36.1216 175.7552 108 R 4.2242 7.2873 115.6672 56.2868 30.0754 174.7257 109 S 4.4262 8.1806 113.9384 57.9077 65.2064 174.5726 110 E 4.0859 8.7951 118.7868 57.4627 29.8516 172.8600 111 D 4.5866 8.4458 115.1676 54.6006 42.6525 177.3853 *118 N 4.6206 7.7106 116.3267 52.1537 39.7066 174.5778 119 N 4.3256 8.5659 117.2294 56.7881 38.4853 177.3748 120 D 4.3663 8.1460 119.6209 57.4366 40.9444 178.2874 121 D 4.3952 8.5325 119.4264 57.4212 40.7712 178.9006 122 L 4.0057 8.0667 119.4702 57.6991 41.5546 179.6629 123 I 3.7406 7.7939 119.8479 64.4298 36.9910 178.5025 124 L 4.0416 8.0704 119.8131 57.8606 41.4368 179.6900 125 S 4.1183 8.4301 115.5056 61.6319 62.5152 176.1657 126 C 4.1012 8.0574 120.4521 62.8231 31.5961 175.1710 127 C 4.4015 8.1188 118.1214 63.0216 27.7712 176.2242 128 L 4.1273 8.2929 120.4831 57.5790 40.9056 178.7860 129 H 3.9987 8.1415 117.8568 58.6593 29.5910 175.7318 130 Y 4.4653 7.4727 116.3379 57.0367 38.7178 176.0478 131 C 4.8440 7.8441 114.6560 56.8148 29.7918 174.6967 132 K 4.1913 7.9863 118.8247 57.3924 32.7150 176.7984 133 D 5.0592 8.5166 122.1259 52.5080 43.7986 175.6284 134 K 4.7189 8.7621 120.0117 54.1969 35.0707 177.4411 135 A 4.1455 8.8565 126.1307 56.1115 18.4450 180.9087 136 K 3.9961 8.2012 115.8857 57.8476 31.7303 179.9083 137 D 4.4380 8.2035 116.5782 56.3707 40.6491 176.9113 138 F 4.7624 7.8788 117.4795 56.8720 39.1804 175.0716 139 M 4.8708 7.9303 117.7343 52.9347 33.7201 172.9010 140 P 4.5034 0.0000 0.0000 63.7754 33.1951 172.9933 *146 P 4.0439 0.0000 0.0000 61.8766 32.4839 174.3680 147 I 4.3409 7.7789 119.5933 60.5740 39.0403 175.1073 148 R 5.0202 8.5070 126.0248 54.3942 32.7594 174.9021 149 L 4.5110 8.6831 125.0834 52.5086 43.8561 176.0172 150 L 4.5581 8.4916 126.4125 55.2828 43.0384 176.1517 151 R 4.6927 9.4675 124.7871 54.6359 33.5012 175.4019 152 E 5.5972 9.4540 121.7611 55.2253 31.3519 175.5891 153 V 5.0753 7.8653 119.0238 59.9674 34.3938 175.3063 154 V 4.5444 8.4321 121.4003 61.1315 35.1626 173.8390 155 L 4.5759 8.9319 130.7232 54.6004 43.2426 175.1629 156 L 5.4178 8.6010 127.0767 53.1908 43.5012 175.3622 157 T 4.5546 8.1065 116.8690 61.5713 70.4539 173.4034 158 D 4.8111 8.7310 124.3005 54.2263 42.3556 176.7505 159 D 4.5544 8.2822 123.2068 54.4127 42.1440 177.4393 160 R 3.9372 8.6387 129.0729 61.3668 29.5165 174.8429 161 N 4.4380 8.1495 116.8123 56.8101 39.0754 176.8229 162 L 3.9959 8.5985 120.7332 57.6846 41.6205 179.3872 163 R 3.8507 8.2615 118.9535 59.6274 30.0047 178.7820 164 V 3.5672 7.7796 117.8105 65.8132 30.9965 177.8899 165 K 3.8851 8.1404 118.0958 59.5218 31.8466 179.1025 166 A 3.9954 8.2554 120.9000 55.1844 18.4101 179.4787 167 L 3.9501 8.1244 118.0441 58.2195 41.5887 179.4339 168 T 4.3906 7.8949 106.3506 62.7357 69.0844 175.2504 169 R 4.5251 7.1607 119.1034 55.4617 30.6329 175.2834 170 N 4.1303 7.5608 112.1626 54.4369 36.5923 174.4154 171 V 4.3066 7.8816 118.3483 60.4722 32.8013 173.7946 172 P 4.5825 0.0000 0.0000 63.1006 32.4895 175.7837 173 V 4.9607 7.9935 121.1084 60.4779 34.6620 174.2770 174 R 4.7133 8.6734 121.9872 55.0236 34.0624 174.1216 175 D 5.2470 8.5973 124.2774 52.7329 40.5165 177.2186 176 I 3.6301 8.3955 122.4124 64.2531 37.1968 176.7218 177 P 4.1962 0.0000 0.0000 65.7824 31.1732 178.5344 178 A 4.0429 8.2895 119.3723 55.0017 18.1616 179.5101 179 F 3.8900 8.2491 119.3308 61.2521 39.2682 177.1673 180 L 4.0027 8.2037 119.3608 58.3685 42.0289 178.8065 181 T 3.9887 7.8752 115.5713 66.4821 68.2320 176.3956 182 W 3.9917 8.0763 128.5998 60.3398 30.7665 177.4505 183 A 3.7589 8.0456 119.3146 52.8334 18.0549 177.0937 184 Q 4.3224 6.9895 118.1247 55.1949 31.4277 176.8620 185 V 3.5988 7.2188 115.7439 60.2194 31.5663 176.3787 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 G 8.34 3.92 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 0.00 2 S 8.31 4.28 0.00 4.13 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 3 P 0.00 4.32 0.00 2.13 2.09 0.00 3.73 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 2.06 2.12 0.00 4 E 8.63 4.24 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 5 F 7.77 5.00 0.00 3.18 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 6 M 8.64 4.82 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.63 0.00 7 E 9.39 4.97 0.00 1.89 1.86 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 2.47 2.38 0.00 8 L 8.45 4.95 0.00 1.54 1.61 0.99 0.89 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 9 E 9.12 4.41 0.00 2.06 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 2.24 2.34 0.00 10 I 8.33 4.78 1.88 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 1.36 0.74 0.89 0.00 0.00 11 R 8.97 4.75 0.00 1.77 1.88 0.00 3.18 0.00 0.00 3.20 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 12 P 0.00 4.61 0.00 2.52 2.25 0.00 4.04 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 13 L 8.83 4.67 0.00 1.62 1.56 0.65 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.53 5.13 0.00 2.88 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.96 4.99 0.00 1.41 1.24 0.38 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.96 4.98 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 1.36 0.00 0.00 0.92 0.00 0.00 17 P 0.00 5.21 0.00 1.96 1.82 0.00 3.65 0.00 0.00 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.82 0.00 18 D 8.30 4.83 0.00 2.86 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 19 T 8.62 3.97 4.31 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 1.27 0.00 0.00 20 N 8.42 4.55 0.00 2.87 2.85 0.00 0.00 7.07 7.91 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 21 G 8.27 3.56 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 0.00 0.00 0.00 22 F 7.64 4.13 0.00 3.33 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 23 I 7.85 3.90 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.78 0.92 0.00 0.00 24 D 8.29 4.75 0.00 2.62 2.32 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 H 8.13 4.95 0.00 3.22 3.10 0.00 5.64 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 26 L 8.49 3.77 0.00 1.96 1.62 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.90 3.86 1.27 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 28 S 7.89 4.01 0.00 3.98 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 29 L 7.85 3.89 0.00 1.60 1.56 -0.06 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.89 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.95 3.92 0.00 2.07 2.01 0.00 3.12 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 1.65 1.80 0.00 32 L 7.83 4.12 0.00 1.83 1.80 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.24 4.19 0.00 1.91 2.01 0.92 0.94 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 34 E 8.56 4.09 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 35 S 7.79 4.19 0.00 4.09 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 0.00 36 R 7.51 3.94 0.00 1.94 2.09 0.00 3.50 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 37 K 7.70 4.03 0.00 0.99 1.20 0.00 1.46 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.40 7.81 38 Y 7.39 4.99 0.00 2.91 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 39 I 8.64 4.52 1.74 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.60 1.05 0.00 0.00 40 L 8.96 4.59 0.00 1.80 1.57 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.91 4.76 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 1.00 0.00 0.00 0.77 0.00 0.00 42 V 8.85 4.43 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.22 0.00 0.00 43 P 0.00 4.81 0.00 2.26 2.00 0.00 3.77 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 44 L 8.85 3.96 0.00 1.73 1.66 0.85 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.78 3.79 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.07 0.93 0.00 0.00 46 V 7.76 3.71 2.32 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 1.25 0.00 0.00 1.07 0.00 0.00 47 I 7.67 3.60 1.93 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 1.51 0.47 0.81 0.00 0.00 48 N 8.56 4.29 0.00 2.85 2.85 0.00 0.00 7.03 7.31 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 49 E 8.21 3.95 0.00 2.21 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 73 K 7.93 4.11 0.00 1.94 1.88 0.00 1.56 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.53 7.81 74 A 8.29 4.00 1.39 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 0.00 0.00 0.00 75 R 8.17 3.86 0.00 2.00 1.99 0.00 3.20 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 76 K 8.33 4.01 0.00 1.97 1.88 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.66 7.81 77 S 8.12 4.28 0.00 4.05 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 78 I 7.93 3.68 1.85 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 1.55 0.77 0.87 0.00 0.00 79 E 8.50 3.95 0.00 2.05 2.25 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 2.38 2.36 0.00 80 F 8.32 4.23 0.00 3.13 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 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2.66 2.33 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 90 S 8.68 4.44 0.00 4.01 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 91 C 8.68 4.71 0.00 3.09 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.66 5.09 0.00 1.29 1.04 0.86 0.52 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 93 R 9.21 5.29 0.00 1.89 1.92 0.00 3.31 0.00 0.00 3.54 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 94 A 8.87 5.44 1.27 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 95 L 8.53 5.22 0.00 1.87 1.55 0.74 0.74 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 96 T 8.88 4.46 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 1.24 0.00 0.00 97 S 8.48 4.14 0.00 3.87 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.05 7.81 137 D 8.20 4.44 0.00 2.35 2.37 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 0.00 138 F 7.88 4.76 0.00 2.96 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 0.00 139 M 7.93 4.87 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 140 P 0.00 4.50 0.00 2.17 2.18 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.95 0.00 *146 P 0.00 4.04 0.00 2.02 1.64 0.00 3.61 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 1.89 1.95 0.00 147 I 7.78 4.34 1.82 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 1.34 0.55 0.95 0.00 0.00 148 R 8.51 5.02 0.00 1.60 1.80 0.00 3.18 0.00 0.00 3.21 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 149 L 8.68 4.51 0.00 1.47 1.47 0.18 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.49 4.56 0.00 1.63 1.57 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 151 R 9.47 4.69 0.00 1.69 1.81 0.00 3.33 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 1.55 1.74 0.00 152 E 9.45 5.60 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.21 0.00 153 V 7.87 5.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.02 0.00 0.00 154 V 8.43 4.54 1.75 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 0.86 0.00 0.00 0.89 0.00 0.00 155 L 8.93 4.58 0.00 1.78 1.48 0.98 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 156 L 8.60 5.42 0.00 1.45 1.42 0.58 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 157 T 8.11 4.55 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 1.19 0.00 0.00 158 D 8.73 4.81 0.00 2.71 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 0.00 159 D 8.28 4.55 0.00 2.82 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 R 8.64 3.94 0.00 1.86 1.93 0.00 3.31 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 161 N 8.15 4.44 0.00 2.78 3.12 0.00 0.00 7.22 6.66 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 0.00 162 L 8.60 4.00 0.00 1.85 1.70 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 163 R 8.26 3.85 0.00 1.94 2.13 0.00 3.08 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 164 V 7.78 3.57 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 0.98 0.00 0.00 0.98 0.00 0.00 165 K 8.14 3.89 0.00 2.04 1.86 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.65 7.81 166 A 8.26 4.00 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 0.00 167 L 8.12 3.95 0.00 1.84 1.74 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 168 T 7.89 4.39 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 1.25 0.00 0.00 169 R 7.16 4.53 0.00 1.91 1.96 0.00 3.33 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 170 N 7.56 4.13 0.00 2.95 2.93 0.00 0.00 6.68 7.56 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 0.00 171 V 7.88 4.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.01 0.00 0.00 172 P 0.00 4.58 0.00 2.21 1.93 0.00 3.75 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.10 0.00 173 V 7.99 4.96 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 0.66 0.00 0.00 0.92 0.00 0.00 174 R 8.67 4.71 0.00 1.89 1.76 0.00 3.04 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 175 D 8.60 5.25 0.00 2.97 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 0.00 176 I 8.40 3.63 1.60 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.57 0.80 0.00 0.00 177 P 0.00 4.20 0.00 2.13 2.10 0.00 3.66 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 178 A 8.29 4.04 1.39 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 0.00 0.00 0.00 179 F 8.25 3.89 0.00 3.17 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 0.00 180 L 8.20 4.00 0.00 1.77 1.94 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 181 T 7.88 3.99 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 1.22 0.00 0.00 182 W 8.08 3.99 0.00 3.21 3.15 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 0.00 183 A 8.05 3.76 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 0.00 184 Q 6.99 4.32 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.30 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 185 V 7.22 3.60 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 0.69 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.