NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 R 4.3788 8.0976 119.0729 56.3055 32.1548 177.5624 16 R 3.7316 7.8242 116.2460 58.8054 29.2824 177.3145 17 T 3.9480 8.6619 117.3088 66.4855 68.9952 177.5351 18 E 3.9904 8.1520 120.0217 59.4151 29.4391 179.3343 19 L 3.9698 8.0002 119.0055 57.6646 41.6526 179.2590 20 L 3.7184 7.9584 120.1805 58.1659 42.0234 178.7559 21 D 4.2919 8.1663 118.7983 57.3806 40.7370 178.8434 22 I 3.5966 7.7521 120.0329 64.1654 37.0104 178.1949 23 A 3.3733 8.0212 121.6618 54.9643 18.0868 179.4862 24 A 3.9135 7.7667 119.1825 55.5996 18.4446 179.9320 25 T 3.8559 7.7146 115.4344 66.1363 68.4887 176.8611 26 L 3.9248 7.6166 120.7417 57.7830 41.6457 179.3879 27 F 4.4814 8.0095 117.8444 60.9209 38.6661 177.7306 28 A 4.0728 8.1187 119.0297 54.8042 18.2106 179.0089 29 E 4.1955 8.0690 116.1112 58.7515 30.0611 178.4637 30 R 4.3310 8.6901 116.6442 55.1439 31.4305 178.0958 31 G 4.2311 7.6134 103.4830 44.9333 0.0000 174.4313 32 L 3.8258 8.4099 119.8105 57.8273 41.7093 180.1780 33 R 3.9536 7.8128 114.6848 58.1797 30.2220 177.0903 34 A 4.4397 7.4311 118.3519 52.1780 19.1258 176.6850 35 T 4.7683 7.6299 113.6880 61.9540 70.8093 174.6687 36 T 4.6535 8.6316 116.7900 59.5765 72.5770 175.6113 37 V 3.5561 8.3404 120.7519 66.4131 31.3760 178.2233 38 R 3.9918 8.0016 115.0508 59.3588 29.2529 178.2786 39 D 4.3569 8.0561 119.3796 57.2637 40.8272 178.9700 40 I 3.5850 7.6716 119.6116 64.1087 37.1366 178.0985 41 A 3.9262 8.2638 122.0152 55.4418 18.2334 179.1671 42 D 4.3079 8.5312 117.2097 57.7920 40.7551 179.3249 43 A 4.0145 7.8714 119.2733 54.5477 18.4449 178.6237 44 A 4.3047 7.8285 117.0068 51.6007 19.0154 177.6905 45 G 3.8684 7.8845 105.2888 46.1162 0.0000 173.4806 46 I 4.6237 7.5265 111.4595 58.1135 40.7568 174.8863 47 L 4.3608 8.0519 120.0116 54.1718 42.7091 178.4414 48 S 4.1927 8.8808 117.8453 61.9428 62.6450 177.2685 49 G 3.8861 8.2624 107.7460 48.2281 0.0000 175.7020 50 S 4.3331 7.9073 116.3809 61.0655 62.9841 176.5192 51 L 4.2236 7.7828 121.8119 58.1385 41.2381 179.0932 52 Y 5.2028 7.7427 115.3480 60.3157 37.8743 177.4557 53 H 4.2698 7.9184 117.6813 58.8267 29.9627 175.4091 54 H 4.3863 8.1726 116.6739 56.4046 30.0134 175.3523 55 F 5.0342 7.6527 116.2773 55.7310 42.6622 174.9316 56 D 4.8485 8.9643 122.9062 54.8571 40.1603 176.2677 57 S 4.8218 7.8427 111.7216 57.1006 65.3062 174.7108 58 K 4.0772 9.0655 123.2468 59.7977 32.3135 177.6336 59 E 4.1729 8.4228 118.9692 59.5289 29.8754 179.8360 60 S 4.4910 8.3207 114.1183 58.7557 62.3348 176.5341 *62 V 4.0432 7.9873 121.6486 63.0997 33.1679 176.7126 63 D 4.7136 8.5195 118.6805 57.6929 41.0250 178.0033 64 E 3.9804 8.3846 119.6870 59.1460 29.4731 178.7922 65 I 3.7590 7.7818 119.4684 64.3677 37.2652 178.2370 66 L 4.1798 8.2844 119.8516 58.0391 41.5562 179.8286 67 R 3.8564 8.3677 118.2701 58.9521 29.6490 179.1991 68 G 3.6875 8.1390 105.5663 47.8414 0.0000 175.4065 69 F 4.3383 7.9681 123.3911 61.1152 39.4105 177.3034 70 L 3.3590 8.0532 118.9311 57.3132 41.3089 179.2126 71 D 4.2894 8.5091 119.2930 57.4647 40.8013 178.5920 72 D 4.3027 7.7060 119.0184 57.1365 40.7483 178.4605 73 L 3.6412 7.7324 120.6935 58.3687 42.0106 179.2314 74 F 4.0206 8.5861 117.9057 59.9808 38.8076 177.9081 75 G 3.7343 8.1732 105.8120 47.9474 0.0000 175.9120 76 K 4.0505 8.0617 121.0467 59.2345 31.9976 179.0467 77 Y 4.3552 8.0674 117.2748 61.3198 37.8399 179.0828 78 R 3.9913 8.4249 119.0801 59.1742 29.9655 178.7113 79 E 3.9417 8.0560 118.0419 59.3112 29.9413 178.5932 80 I 3.8290 8.0878 120.1457 64.5450 36.9949 178.6798 81 V 3.5546 7.8170 117.4956 65.5040 31.4171 177.0635 82 A 4.3253 7.7550 118.2184 52.8257 18.8130 178.4188 83 S 4.4236 7.8082 112.0402 58.1601 63.5826 174.7530 84 G 3.8075 7.9930 110.0925 46.4007 0.0000 173.8056 85 L 4.2468 7.6837 118.5391 53.4831 42.5594 176.9239 86 D 4.6014 8.2261 120.7146 52.9731 41.5633 177.6478 87 S 4.0127 8.2793 115.3766 61.7331 62.7126 176.9901 88 R 4.1687 7.8328 120.5569 59.5446 29.9571 178.2334 89 A 4.3258 8.6571 122.2958 54.7990 18.3065 179.8311 90 T 3.7242 8.1954 114.7345 66.6461 68.5399 176.6351 91 L 3.6347 7.9604 122.1915 58.0916 41.6117 178.7504 92 E 3.9572 8.5786 118.7008 59.5108 29.3513 179.3226 93 A 4.0378 8.1380 120.7359 54.9433 18.3833 179.7490 94 L 3.8418 7.7383 117.5750 57.8840 41.5567 179.9164 95 V 3.8792 7.7420 118.1810 66.4432 31.4189 178.2166 96 T 4.0549 8.3291 115.7749 66.9197 68.2380 176.7406 97 T 3.9683 8.3319 117.8801 66.7811 68.6072 176.8005 98 S 4.4471 8.4049 117.0229 62.0292 62.9758 176.4342 99 Y 4.0054 8.2342 119.3727 61.0793 37.4885 178.3503 100 E 4.0406 8.7789 119.6744 59.4079 29.4433 179.3210 101 A 4.1134 8.2351 120.9206 55.1401 18.0764 179.6702 102 I 3.6567 7.8354 118.2455 64.5739 36.8995 178.1411 103 D 4.6041 7.8002 117.4709 57.2517 41.2091 177.8100 104 A 4.3019 8.2312 120.5443 53.9555 19.5121 177.6820 105 S 4.6475 8.4934 113.5593 56.9892 64.2700 175.2626 106 H 4.1290 8.4174 123.7072 59.0350 30.0117 175.8345 107 S 4.0505 8.0445 115.9032 61.4958 62.6134 176.4093 108 A 3.9855 7.7124 122.9796 55.0082 18.1196 179.7200 109 V 2.6847 7.3349 116.5249 65.6944 31.4868 178.0980 110 A 3.9168 7.8386 120.5605 55.0864 18.1617 179.6550 111 I 3.5777 7.8691 118.4260 64.6666 37.0107 177.8958 112 Y 4.1066 7.8216 119.0122 60.9516 38.6748 177.7742 113 Q 3.8857 8.2557 119.4259 58.2290 29.2970 176.0769 114 D 4.8220 8.2068 116.4767 53.7040 43.1572 176.1734 115 E 4.5832 8.3664 116.8270 56.1020 30.7277 177.1158 116 V 4.2814 7.2913 111.6784 60.6753 32.7923 177.2150 117 K 3.7111 8.1688 124.7759 59.7020 31.9183 177.8441 118 H 4.4156 8.0758 111.4134 56.4395 29.1891 175.4429 119 L 4.2142 7.5172 120.2510 55.0224 42.5266 178.6660 120 V 3.4016 7.0939 117.6696 65.5191 31.3978 176.4719 121 A 4.3089 7.7094 119.4197 52.2971 19.2881 176.4476 122 N 4.6239 8.0153 116.4096 52.6579 39.9696 175.3912 123 E 3.9718 9.1237 125.6372 59.6952 29.6308 179.5148 124 R 4.0061 8.3356 112.7179 57.8576 29.8145 176.9767 125 F 4.2608 7.7318 117.8475 57.2397 39.7919 177.7871 126 T 3.8997 7.6365 121.2111 66.8794 68.0175 175.4794 127 Y 4.5189 7.8454 120.3731 59.2543 37.7113 178.4775 128 L 4.0544 7.5100 121.4823 57.7877 41.8376 179.5424 129 S 4.1626 7.9546 113.7393 61.4909 62.6918 176.3100 130 E 4.0143 8.1761 121.7944 59.1947 29.2651 179.2167 131 L 3.8796 8.3380 119.2910 57.5229 41.5704 179.1736 132 N 4.5315 8.3081 116.7241 56.7526 38.4175 177.5154 133 T 3.9594 7.9283 116.6214 66.6653 68.5308 176.4573 134 E 4.3457 8.4518 122.6351 58.7190 29.7051 178.3369 135 F 4.3149 9.3203 121.2062 61.5304 39.2166 177.1122 136 R 3.8022 8.2826 116.8569 59.4931 29.9923 177.7013 137 E 4.1159 8.4854 118.6827 59.6291 29.3813 179.6361 138 L 4.0946 8.1991 118.5549 57.5789 41.8424 180.0267 139 W 4.1955 8.5633 118.0803 57.1250 29.2675 178.6316 *141 G 3.8741 8.0629 110.1251 45.7180 0.0000 176.2727 142 V 3.5667 7.4993 119.6348 65.4550 31.4114 177.8391 143 L 4.2244 8.0844 120.0900 58.4304 41.9717 178.7741 144 E 3.9995 8.2979 117.7247 59.5000 29.4848 179.0963 145 A 4.0832 8.3212 120.9223 55.1137 18.3276 179.9316 146 G 3.0200 8.3482 104.2630 47.3649 0.0000 176.3362 147 V 3.9230 8.1249 122.1013 65.3082 31.3591 178.0672 148 K 3.9784 8.0770 118.7169 59.0637 32.1576 177.5537 149 D 4.6466 7.9494 116.4409 53.1357 39.8456 177.2872 150 G 3.9314 7.6930 108.6596 45.7488 0.0000 175.0038 151 S 4.0668 8.1504 116.3347 60.5171 62.7191 174.6571 152 F 5.3194 7.6690 117.9187 55.0944 41.4738 175.2100 153 R 4.1724 8.5830 122.4314 56.6384 30.3299 177.4330 154 S 4.3847 8.6241 116.1078 59.9880 63.6583 174.4754 155 D 4.6503 8.0193 119.2074 53.3495 39.8346 176.1293 156 I 4.1694 7.2907 113.4782 59.7530 39.3212 175.5788 157 D 4.5242 8.4394 121.8138 53.8588 41.5590 177.4259 158 V 3.6833 8.4143 128.7802 64.7079 31.4849 177.7955 159 E 4.0371 8.2888 119.5662 59.3347 29.5805 178.7171 160 L 4.0989 8.3070 118.6656 57.5065 41.6384 179.3400 161 A 4.0355 8.3836 121.2332 54.9994 18.2357 179.4055 162 F 4.2130 8.7011 119.5262 61.6278 39.5300 177.4518 163 R 3.6462 8.2515 117.6878 59.1816 29.7642 178.8353 164 F 3.9960 8.4125 120.3868 61.2337 39.1877 177.1895 165 L 3.7839 7.8346 117.4561 57.6759 41.3275 179.2504 166 R 3.3764 7.6159 118.9095 59.2819 29.7302 178.3244 167 D 4.2849 8.1799 118.0790 56.4533 40.1246 177.7870 168 T 4.1725 6.9649 107.3417 61.1789 69.0026 175.9751 169 A 3.4543 6.8790 123.2195 54.3293 18.4752 178.8790 170 W 4.7539 6.9348 110.8984 56.4773 30.5188 178.2021 171 V 3.6577 7.7030 112.8953 64.1930 31.0076 177.5475 172 A 4.2305 8.0310 119.5759 53.8724 16.6339 179.4200 173 V 3.6994 7.8927 118.3050 64.7516 31.0280 178.6695 174 R 4.2558 7.8519 117.6395 57.8144 29.9046 177.2513 175 W 4.8039 7.1366 113.0403 56.9519 30.2536 175.7483 176 Y 3.6941 7.3097 120.6078 57.1064 38.3985 175.0301 177 R 4.3133 7.0007 124.1724 53.1317 34.1978 172.9567 178 P 4.3147 0.0000 0.0000 64.4509 31.7609 176.8580 179 G 3.8291 8.9512 109.2425 45.6389 0.0000 173.8877 180 G 3.8894 7.1487 108.0559 44.4835 0.0000 174.1846 181 S 4.3053 8.5587 112.7751 60.0848 63.3622 174.4941 182 V 4.5849 7.4590 112.7673 58.7735 35.1789 175.7552 183 T 4.3490 8.1797 112.4568 61.4326 70.8848 176.0347 184 V 3.3576 8.3546 121.6596 64.5593 31.1993 177.9177 185 D 4.2097 8.0094 118.6431 57.5813 41.0832 178.0904 186 T 3.7645 7.6711 115.6888 66.5331 68.3946 176.7105 187 V 3.1465 7.4083 119.3521 65.7351 31.4201 177.8316 188 A 2.9830 7.5325 120.7072 54.8754 18.0974 179.7940 189 K 3.9029 8.0294 117.0685 59.6509 32.1066 179.7408 190 Q 4.0274 8.1037 118.3962 59.2368 28.6359 178.3251 191 Y 4.5264 8.1383 117.9103 61.0314 37.8383 178.3627 192 L 4.0986 8.4782 120.5783 57.7491 41.6378 179.3842 193 S 4.1431 8.4019 113.2849 61.3711 62.2607 176.3257 194 I 3.7101 7.9324 122.3884 64.5517 36.7218 178.6620 195 V 3.6005 7.8586 117.6438 65.8021 31.4404 177.4931 196 L 4.2897 8.2746 117.9079 56.5850 42.0128 177.8843 197 D 4.8155 8.4834 116.0157 52.6424 42.4874 177.3675 198 G 4.1060 7.7421 105.6152 45.7029 0.0000 173.7040 199 L 4.0624 8.2479 122.0018 56.8676 42.5932 177.4748 200 A 4.2248 7.6899 120.6066 51.6674 19.0034 177.2378 201 S 4.2869 8.4759 119.2946 58.1997 63.7114 173.6511 202 P 4.4550 0.0000 0.0000 62.5488 30.4234 176.2025 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 15 R 8.10 4.38 0.00 1.75 2.00 0.00 3.22 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 16 R 7.82 3.73 0.00 1.96 2.18 0.00 3.21 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 17 T 8.66 3.95 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 18 E 8.15 3.99 0.00 2.16 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 2.40 2.41 0.00 19 L 8.00 3.97 0.00 2.00 1.77 0.89 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.96 3.72 0.00 2.07 1.83 0.44 1.38 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 21 D 8.17 4.29 0.00 2.88 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 22 I 7.75 3.60 1.92 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 1.40 0.66 0.81 0.00 0.00 23 A 8.02 3.37 0.88 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 0.00 0.00 24 A 7.77 3.91 1.36 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 0.00 0.00 25 T 7.71 3.86 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 1.17 0.00 0.00 26 L 7.62 3.92 0.00 1.52 1.60 0.81 1.10 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 27 F 8.01 4.48 0.00 3.17 2.91 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 28 A 8.12 4.07 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 29 E 8.07 4.20 0.00 2.03 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 2.32 2.48 0.00 30 R 8.69 4.33 0.00 1.89 2.00 0.00 3.14 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 31 G 7.61 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 0.00 0.00 0.00 0.00 32 L 8.41 3.83 0.00 1.64 1.54 0.68 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.81 3.95 0.00 1.70 1.92 0.00 3.08 0.00 0.00 3.04 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.43 0.00 34 A 7.43 4.44 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 35 T 7.63 4.77 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 36 T 8.63 4.65 4.28 0.00 0.00 0.00 0.00 0.00 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 37 V 8.34 3.56 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 0.77 0.00 0.00 0.93 0.00 0.00 38 R 8.00 3.99 0.00 2.08 2.20 0.00 3.04 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 39 D 8.06 4.36 0.00 2.97 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 40 I 7.67 3.58 1.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.67 0.75 0.00 0.00 41 A 8.26 3.93 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 42 D 8.53 4.31 0.00 2.83 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.87 4.01 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 44 A 7.83 4.30 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 45 G 7.88 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 46 I 7.53 4.62 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.77 0.96 0.00 0.00 47 L 8.05 4.36 0.00 1.75 1.64 0.93 0.90 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 48 S 8.88 4.19 0.00 3.94 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 49 G 8.26 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 50 S 7.91 4.33 0.00 4.06 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 51 L 7.78 4.22 0.00 1.81 1.41 0.89 0.68 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 52 Y 7.74 5.20 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 H 7.92 4.27 0.00 3.19 3.48 0.00 5.74 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.17 4.39 0.00 3.13 2.44 0.00 5.85 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 7.65 5.03 0.00 3.09 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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1.47 1.37 0.87 0.72 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 74 F 8.59 4.02 0.00 3.17 3.22 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 75 G 8.17 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.06 4.05 0.00 1.89 1.87 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 77 Y 8.07 4.36 0.00 3.07 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 78 R 8.42 3.99 0.00 2.09 2.05 0.00 3.23 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 1.80 2.07 0.00 79 E 8.06 3.94 0.00 2.10 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 0.00 2.33 2.37 0.00 80 I 8.09 3.83 2.01 0.00 0.00 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 1.41 0.58 0.82 0.00 0.00 81 V 7.82 3.55 2.06 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 90 T 8.20 3.72 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 1.07 0.00 0.00 91 L 7.96 3.63 0.00 1.81 1.86 0.70 0.50 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 92 E 8.58 3.96 0.00 2.17 2.00 0.00 0.00 0.00 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 2.52 0.00 93 A 8.14 4.04 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 94 L 7.74 3.84 0.00 0.85 0.22 -0.40 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.74 3.88 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 1.33 0.00 0.00 1.14 0.00 0.00 96 T 8.33 4.05 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 1.24 0.00 0.00 97 T 8.33 3.97 4.72 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 1.24 0.00 0.00 98 S 8.40 4.45 0.00 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1.87 1.46 0.78 -0.22 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 0.00 132 N 8.31 4.53 0.00 3.01 2.98 0.00 0.00 6.95 7.18 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 0.00 133 T 7.93 3.96 4.50 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 1.26 0.00 0.00 134 E 8.45 4.35 0.00 2.11 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 0.00 2.68 2.35 0.00 135 F 9.32 4.31 0.00 3.78 3.46 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 0.00 136 R 8.28 3.80 0.00 1.99 2.14 0.00 3.25 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.63 0.00 137 E 8.49 4.12 0.00 2.27 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 0.00 2.36 2.61 0.00 138 L 8.20 4.09 0.00 1.92 1.64 1.20 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 139 W 8.56 4.20 0.00 3.35 3.29 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 0.00 *141 G 8.06 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 0.00 142 V 7.50 3.57 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 1.00 0.00 0.00 0.84 0.00 0.00 143 L 8.08 4.22 0.00 2.06 1.77 0.85 0.99 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 0.00 144 E 8.30 4.00 0.00 2.07 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 2.43 2.42 0.00 145 A 8.32 4.08 1.36 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 0.00 0.00 146 G 8.35 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 0.00 0.00 0.00 147 V 8.12 3.92 2.28 0.00 0.00 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 0.00 0.00 1.19 0.00 0.00 148 K 8.08 3.98 0.00 1.88 1.95 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.44 7.81 149 D 7.95 4.65 0.00 2.79 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.69 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 0.00 0.00 0.00 151 S 8.15 4.07 0.00 3.09 3.24 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 0.00 152 F 7.67 5.32 0.00 3.05 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 0.00 153 R 8.58 4.17 0.00 1.84 2.14 0.00 3.21 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 154 S 8.62 4.38 0.00 3.99 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 0.00 155 D 8.02 4.65 0.00 2.81 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 0.00 156 I 7.29 4.17 1.87 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 1.32 0.70 0.89 0.00 0.00 157 D 8.44 4.52 0.00 2.75 2.63 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 0.00 0.00 0.00 0.00 158 V 8.41 3.68 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 0.93 0.00 0.00 1.02 0.00 0.00 159 E 8.29 4.04 0.00 2.16 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 0.00 2.44 2.57 0.00 160 L 8.31 4.10 0.00 1.92 1.73 0.98 0.75 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 0.00 161 A 8.38 4.04 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 0.00 162 F 8.70 4.21 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 0.00 163 R 8.25 3.65 0.00 2.08 1.96 0.00 3.42 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.87 0.00 164 F 8.41 4.00 0.00 3.12 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 0.00 165 L 7.83 3.78 0.00 1.79 1.83 1.11 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 166 R 7.62 3.38 0.00 1.02 1.42 0.00 2.24 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.35 0.00 167 D 8.18 4.28 0.00 2.56 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 T 6.96 4.17 3.86 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 0.62 0.00 0.00 169 A 6.88 3.45 0.14 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 0.00 170 W 6.93 4.75 0.00 3.54 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 0.00 171 V 7.70 3.66 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 0.90 0.00 0.00 0.94 0.00 0.00 172 A 8.03 4.23 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 0.00 173 V 7.89 3.70 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 0.89 0.00 0.00 0.73 0.00 0.00 174 R 7.85 4.26 0.00 1.97 2.16 0.00 3.17 0.00 0.00 3.33 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 175 W 7.14 4.80 0.00 3.57 3.22 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 0.00 176 Y 7.31 3.69 0.00 1.68 2.59 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 0.00 177 R 7.00 4.31 0.00 1.57 1.51 0.00 3.11 0.00 0.00 2.91 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.45 0.00 178 P 0.00 4.31 0.00 2.00 2.03 0.00 3.56 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 2.03 2.35 0.00 179 G 8.95 3.83 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 0.00 0.00 0.00 180 G 7.15 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 0.00 181 S 8.56 4.31 0.00 4.01 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 0.00 182 V 7.46 4.58 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 0.82 0.00 0.00 1.03 0.00 0.00 183 T 8.18 4.35 4.28 0.00 0.00 0.00 0.00 0.00 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 0.00 184 V 8.35 3.36 1.64 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 0.94 0.00 0.00 0.31 0.00 0.00 185 D 8.01 4.21 0.00 2.78 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 0.00 186 T 7.67 3.76 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 1.19 0.00 0.00 187 V 7.41 3.15 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 0.46 0.00 0.00 1.10 0.00 0.00 188 A 7.53 2.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 K 8.03 3.90 0.00 1.87 1.84 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.62 7.81 190 Q 8.10 4.03 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 191 Y 8.14 4.53 0.00 3.07 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 L 8.48 4.10 0.00 1.92 1.77 0.99 0.78 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 0.00 193 S 8.40 4.14 0.00 4.00 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 0.00 194 I 7.93 3.71 2.09 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.66 0.93 0.00 0.00 195 V 7.86 3.60 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.26 0.00 0.00 196 L 8.27 4.29 0.00 1.82 1.76 0.98 0.93 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 0.00 197 D 8.48 4.82 0.00 2.80 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 0.00 198 G 7.74 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 L 8.25 4.06 0.00 1.61 1.71 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 200 A 7.69 4.22 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 0.00 201 S 8.48 4.29 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 0.00 202 P 0.00 4.46 0.00 2.09 1.82 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.