NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 T 4.4592 8.1749 117.3795 63.5086 69.9173 172.6807 7 V 4.3286 8.8114 116.6034 59.0513 34.7930 174.1716 8 A 4.4541 8.6781 126.6862 50.8520 20.9719 177.0069 9 A 4.3381 8.0612 123.1895 52.4426 19.3796 175.9746 10 Y 4.6899 8.2453 116.7192 56.3293 41.3479 174.0504 11 N 4.2754 8.9816 114.0927 54.2319 36.1961 174.8855 12 L 4.4589 7.8668 116.7700 55.3039 42.4373 177.9997 13 T 4.7620 9.1945 120.7427 61.3980 72.6177 173.1087 14 W 4.8211 8.7445 122.9939 54.9660 31.3334 175.3160 15 K 4.5833 9.2667 125.4702 54.7000 33.8656 175.5334 16 S 5.6793 8.4212 119.1210 56.0810 66.1154 172.6203 17 T 4.8386 8.3898 122.1092 62.8665 72.6916 173.7793 18 N 4.2891 10.3049 121.6404 54.3889 36.8792 176.1491 19 F 4.0168 7.7039 116.3886 57.1854 38.0432 175.1165 20 K 4.2442 8.6378 123.6397 56.9428 32.9912 175.5081 21 T 5.1857 8.9892 125.3485 61.8796 71.2262 173.7263 22 I 5.0245 8.8917 126.9097 59.3867 41.5297 174.1218 23 L 4.5473 8.6920 128.3298 53.7934 43.9385 175.0686 24 E 5.0023 8.9641 124.4129 54.8801 34.2334 174.7696 25 W 5.0910 7.4468 117.0155 57.0942 31.3778 172.4925 26 E 4.5656 8.4648 118.4127 54.1043 33.8170 173.6775 27 P 4.8592 0.0000 0.0000 61.6506 33.7705 174.9723 28 K 4.2605 8.4302 121.1952 54.7134 32.5499 174.6607 29 P 4.3555 0.0000 0.0000 62.7483 31.7852 176.2727 30 V 4.0852 8.0714 121.7514 61.8580 31.6808 174.0159 31 N 4.3844 9.0147 124.0958 53.5776 35.6195 173.7786 32 Q 5.0620 7.7027 114.1441 55.0612 32.2890 173.3880 33 V 4.6507 8.9777 112.2383 59.8788 36.4551 174.3115 34 Y 6.1911 9.1344 118.2639 55.9554 42.3018 175.0046 35 T 5.3581 8.6898 117.0957 60.7623 73.1950 172.9358 36 V 4.7315 8.4022 123.7043 61.2808 34.8586 174.3664 37 Q 5.2439 9.1332 124.1613 54.2539 32.8509 174.1424 38 I 5.5004 9.2136 123.1992 59.7885 42.2178 174.1048 39 S 4.7574 9.0005 120.9705 57.8323 66.7839 172.3177 40 T 4.5438 7.8240 109.0005 59.3086 71.3435 175.3575 41 K 3.7304 7.7365 118.4260 59.1127 32.0619 178.4752 42 S 4.5522 7.8877 111.3447 57.9211 63.5196 173.7026 43 G 4.1171 7.1764 109.0686 43.0005 0.0000 173.5461 44 D 4.6115 8.0688 118.9829 53.3579 41.9622 176.5791 45 W 4.6494 8.7354 120.8539 56.6394 30.0948 175.5862 46 K 4.7573 9.4442 125.7728 54.8354 34.2523 175.1678 47 S 5.1855 8.8281 122.8036 57.9855 64.6587 173.1564 48 K 3.7735 8.7394 121.3376 54.6381 37.2291 175.5270 49 C 4.5876 8.0950 115.4758 57.7878 37.2721 173.8820 50 F 3.7554 7.5919 119.0801 60.1853 40.0025 176.9211 51 Y 3.8855 7.2698 122.5071 59.5193 35.1007 171.5173 52 T 4.5562 8.3386 120.6554 61.3281 69.4233 174.4299 53 T 4.5395 8.1896 111.0872 61.2221 69.9937 173.8427 54 D 4.6642 8.0968 122.7095 54.7453 41.6714 175.3464 55 T 3.3380 7.5947 108.1160 60.2714 69.3433 173.1001 56 E 4.5191 7.0169 117.2202 56.3726 32.9168 174.9329 57 C 4.8432 9.4890 121.7211 55.2365 47.1749 172.6254 58 D 4.8655 8.9230 126.8467 54.3423 41.3819 176.0192 59 L 4.7338 8.8923 125.5557 54.6739 42.5903 178.4412 60 T 3.8800 7.8898 116.9873 67.0220 68.1903 175.2054 61 D 4.4700 8.1611 119.4208 57.8362 41.1990 179.1211 62 E 4.1737 8.2378 118.7565 59.4399 29.5069 179.4106 63 I 2.9158 7.5414 111.1350 63.5539 37.5962 177.5549 64 V 3.8732 7.9471 112.3279 62.2066 31.5667 177.9128 65 K 4.3388 7.9433 119.2640 58.2368 33.2239 176.9401 66 D 4.6910 8.1000 118.9076 51.8660 41.6006 175.5049 67 V 3.8665 8.1039 117.7015 63.4599 31.9810 177.8843 68 K 4.2655 7.6320 116.3925 56.8299 32.3570 176.7266 69 Q 4.2087 8.1308 119.4049 55.6485 29.6682 174.9082 70 T 4.7203 7.9123 116.3382 62.3440 70.9105 173.6999 71 Y 4.8771 9.2634 125.0331 56.7946 40.5774 174.5984 72 L 5.5300 8.9386 121.9570 53.6928 46.2059 174.9904 73 A 5.7209 9.5966 125.0066 50.6981 23.3388 175.0277 74 R 4.8169 8.9972 114.6224 54.5686 33.6741 174.0202 75 V 4.3101 7.9970 120.0323 61.0438 34.0690 174.4192 76 F 4.9848 9.2193 126.3498 55.9376 41.6796 174.7552 77 S 5.2322 8.4393 117.4480 57.0606 65.2498 173.3242 78 Y 5.0144 8.9505 122.3387 55.0855 41.3808 173.5832 79 P 4.8118 0.0000 0.0000 62.9193 32.8544 175.0445 80 A 4.2098 8.8449 124.5067 53.1805 18.7773 176.6578 81 G 4.2604 9.2516 116.9332 45.8877 0.0000 174.5262 82 N 4.6941 7.3400 121.3440 51.2271 37.4761 175.2926 83 V 3.7747 7.5515 117.2583 63.9105 32.0058 175.8079 84 E 4.6027 8.0957 117.5668 56.8313 29.5993 175.3919 85 S 4.4486 8.0545 114.7237 57.8583 62.7089 173.2633 86 T 4.7740 8.4398 120.7262 60.1951 70.6216 172.2671 87 G 4.0635 8.5423 113.5107 44.1876 0.0000 176.3922 88 S 3.6690 7.3914 114.3546 60.6624 63.5225 174.9863 89 A 4.6116 8.0173 121.3333 52.0771 19.1431 176.9133 90 G 4.3384 8.0874 105.4272 47.9091 0.0000 173.8698 91 E 4.9241 7.7958 115.5002 51.7911 33.2186 173.9675 92 P 4.6939 0.0000 0.0000 62.4050 32.3673 176.0145 93 L 4.3352 8.4143 123.1968 55.8698 43.3183 175.1325 94 Y 5.2869 7.7388 121.8998 57.1779 41.0976 172.7193 95 E 4.3977 8.1446 118.1701 54.9234 33.2301 173.5101 96 N 5.4231 8.5517 121.8727 52.0822 40.9411 174.9798 97 S 4.6319 8.9557 116.9421 56.5838 65.4752 171.5815 98 P 4.6938 0.0000 0.0000 62.7164 31.8051 175.5558 99 E 4.8491 8.4866 118.5836 55.7830 31.1574 176.1309 100 F 4.6083 8.8038 124.0737 56.9242 42.9126 173.5348 101 T 4.8920 8.1362 122.9532 59.9304 69.2210 172.9631 102 P 3.2625 0.0000 0.0000 65.4793 31.9908 177.9847 103 Y 4.2648 8.5096 119.1192 60.4991 38.5784 177.8014 104 L 4.5393 8.0727 116.7164 54.9548 42.4513 176.6746 105 E 4.5472 7.4699 115.0750 55.6575 31.4676 175.7664 106 T 4.3120 8.0210 114.1236 62.1459 68.3332 173.2074 107 N 4.8280 8.7449 122.6354 52.3153 41.0630 174.9184 108 L 4.6802 7.5707 121.0191 52.7666 44.3333 174.2542 109 G 3.8353 8.7828 104.1827 47.5309 0.0000 174.0910 *129 D 4.6589 7.6718 119.8470 52.3950 41.6913 175.9313 130 E 4.3337 8.1390 120.3286 55.6382 30.7392 175.7897 131 R 5.0189 8.4926 118.3611 55.0370 32.3723 174.8990 132 T 4.8105 8.9832 110.5125 59.7437 72.4288 174.1888 133 L 4.8090 8.9727 119.6948 54.9565 41.8088 177.3061 134 V 4.0242 7.5281 118.9376 62.1213 32.2448 175.2496 135 R 5.4662 8.1612 123.7626 53.6429 33.4452 174.8660 136 R 4.3114 7.9889 118.6382 56.0211 33.8930 175.1273 137 N 3.8043 9.0544 119.6394 55.1092 36.6831 174.9949 138 N 4.3066 7.8400 119.4285 54.6843 38.7305 175.2820 139 T 4.1894 7.6844 112.4858 61.3414 68.8542 172.3240 140 F 5.3649 8.4356 119.4431 55.8176 41.9896 175.3484 141 L 4.8675 9.1339 121.8454 53.4680 44.6437 175.5000 142 S 5.0946 8.8149 114.7995 56.8099 65.8605 175.3257 143 L 4.0875 8.9406 122.8205 58.7537 41.8628 179.5495 144 R 4.0758 8.1595 118.0114 59.4265 29.9638 177.7372 145 D 4.5807 8.3787 117.7401 56.1516 40.8088 177.6938 146 V 3.9878 7.5613 117.2728 63.8378 32.9680 176.5039 147 F 5.1298 7.9235 117.1218 56.1586 39.9225 177.7125 148 G 4.0887 9.0159 108.6504 46.3738 0.0000 175.7281 149 K 4.3305 8.8137 123.0358 56.8698 31.4199 176.9328 150 D 4.8174 8.6827 119.2042 53.9155 42.0637 175.3142 151 L 5.0468 7.6972 122.0975 53.1117 43.8258 175.3106 152 I 4.7740 8.4518 118.6638 59.5125 41.7461 173.1840 153 Y 5.1881 8.4696 118.3337 56.7064 42.1810 174.5482 154 T 4.7355 8.9221 116.9999 62.1903 71.8355 174.4894 155 L 4.4717 8.7043 120.2790 55.3214 45.3556 176.7026 156 Y 4.6891 7.4266 125.8526 58.4590 40.6562 173.1641 157 Y 4.7410 7.0924 113.9516 58.1338 39.4338 174.9241 *188 S 4.6398 7.4155 114.3794 58.2683 64.3191 172.8132 189 V 4.8431 8.0854 110.7328 60.9205 33.2412 175.1549 190 Q 5.3377 8.7877 121.6904 55.0071 32.8200 172.6796 191 A 4.8464 9.3621 126.9559 50.3723 21.4307 176.1602 192 V 4.6164 8.5595 121.0341 61.3132 35.8452 174.3903 193 I 5.3472 8.9043 126.6685 57.3098 37.6922 174.2443 194 P 4.3729 0.0000 0.0000 63.7761 31.4363 177.9188 195 S 4.4823 7.7113 112.6852 58.6171 63.6659 174.2841 196 R 4.3447 7.6485 121.0886 56.0576 31.0808 176.1900 197 T 4.2434 8.3802 107.8209 63.3900 69.8137 175.5527 198 V 4.0186 7.1190 113.5244 59.5564 34.2458 176.0215 199 N 4.0063 8.1749 116.4505 54.2321 35.5017 175.5084 200 R 4.0370 7.5706 122.6230 58.2766 31.7740 178.5041 201 K 4.9909 7.9506 116.0937 54.5804 35.4157 176.5676 202 S 4.7779 8.4583 117.5155 58.5191 65.6286 171.4572 203 T 4.6623 8.2032 113.3083 60.8240 69.6011 173.1702 204 D 5.8500 8.6578 118.7538 51.9120 44.2086 176.1939 205 S 4.2175 8.2480 113.5819 58.7216 63.2048 173.8906 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 6 T 8.17 4.46 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 1.36 0.00 0.00 7 V 8.81 4.33 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 0.72 0.00 0.00 1.09 0.00 0.00 8 A 8.68 4.45 1.18 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 0.00 0.00 9 A 8.06 4.34 0.77 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 0.00 0.00 10 Y 8.25 4.69 0.00 3.09 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 11 N 8.98 4.28 0.00 3.08 2.94 0.00 0.00 6.83 6.74 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 12 L 7.87 4.46 0.00 1.43 1.42 0.78 0.67 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 13 T 9.19 4.76 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 1.24 0.00 0.00 14 W 8.74 4.82 0.00 2.92 2.47 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 15 K 9.27 4.58 0.00 1.57 1.70 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.63 7.81 16 S 8.42 5.68 0.00 3.64 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 17 T 8.39 4.84 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 18 N 10.30 4.29 0.00 2.89 2.99 0.00 0.00 6.95 8.01 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 19 F 7.70 4.02 0.00 3.39 3.37 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 20 K 8.64 4.24 0.00 1.90 1.84 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.51 7.81 21 T 8.99 5.19 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 22 I 8.89 5.02 1.83 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 1.29 0.76 0.90 0.00 0.00 23 L 8.69 4.55 0.00 1.08 1.40 -0.21 0.60 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 24 E 8.96 5.00 0.00 1.76 1.55 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 2.02 2.10 0.00 25 W 7.45 5.09 0.00 3.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.46 4.57 0.00 1.16 1.15 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 2.01 2.00 0.00 27 P 0.00 4.86 0.00 2.17 2.24 0.00 3.90 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 28 K 8.43 4.26 0.00 1.71 1.77 0.00 1.55 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.46 7.81 29 P 0.00 4.36 0.00 2.30 1.80 0.00 3.83 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 30 V 8.07 4.09 2.11 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 0.88 0.00 0.00 1.01 0.00 0.00 31 N 9.01 4.38 0.00 3.05 2.93 0.00 0.00 6.52 7.74 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 32 Q 7.70 5.06 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.24 6.81 0.00 0.00 0.00 0.00 0.00 2.16 2.07 0.00 33 V 8.98 4.65 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 0.82 0.00 0.00 1.22 0.00 0.00 34 Y 9.13 6.19 0.00 3.07 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 35 T 8.69 5.36 4.47 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 1.04 0.00 0.00 36 V 8.40 4.73 1.95 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 0.79 0.00 0.00 0.55 0.00 0.00 37 Q 9.13 5.24 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.50 0.00 0.00 0.00 0.00 0.00 2.54 2.43 0.00 38 I 9.21 5.50 2.07 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.23 1.07 0.00 0.00 39 S 9.00 4.76 0.00 3.16 2.76 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 40 T 7.82 4.54 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 0.71 0.00 0.00 41 K 7.74 3.73 0.00 1.64 1.86 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.38 1.51 7.81 42 S 7.89 4.55 0.00 3.72 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 43 G 7.18 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 44 D 8.07 4.61 0.00 2.60 2.66 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 0.00 45 W 8.74 4.65 0.00 3.19 3.28 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 0.00 46 K 9.44 4.76 0.00 1.88 1.74 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.49 7.81 47 S 8.83 5.19 0.00 4.08 3.70 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 48 K 8.74 3.77 0.00 1.43 1.54 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.56 7.81 49 C 8.09 4.59 0.00 3.07 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 50 F 7.59 3.76 0.00 3.07 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.27 3.89 0.00 3.15 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 52 T 8.34 4.56 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 1.63 0.00 0.00 53 T 8.19 4.54 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 54 D 8.10 4.66 0.00 2.69 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.59 3.34 3.53 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 0.00 0.00 0.00 1.03 0.00 0.00 56 E 7.02 4.52 0.00 1.75 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.17 0.00 57 C 9.49 4.84 0.00 3.26 3.04 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 58 D 8.92 4.87 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.89 4.73 0.00 1.81 1.74 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.89 3.88 4.32 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 1.40 0.00 0.00 61 D 8.16 4.47 0.00 2.68 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 62 E 8.24 4.17 0.00 2.13 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 2.38 2.53 0.00 63 I 7.54 2.92 1.61 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.67 0.50 0.00 0.00 64 V 7.95 3.87 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 0.94 0.00 0.00 1.02 0.00 0.00 65 K 7.94 4.34 0.00 1.98 1.91 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.50 1.74 7.81 66 D 8.10 4.69 0.00 2.62 2.53 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 0.00 0.00 0.00 0.00 67 V 8.10 3.87 2.26 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 0.30 0.00 0.00 0.87 0.00 0.00 68 K 7.63 4.27 0.00 1.74 1.67 0.00 1.38 0.00 0.00 1.29 0.00 0.00 2.13 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.90 1.12 7.81 69 Q 8.13 4.21 0.00 1.55 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.75 0.00 0.00 0.00 0.00 0.00 2.50 2.26 0.00 70 T 7.91 4.72 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 1.22 0.00 0.00 71 Y 9.26 4.88 0.00 2.83 3.04 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 72 L 8.94 5.53 0.00 1.76 1.62 1.27 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 73 A 9.60 5.72 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 74 R 9.00 4.82 0.00 1.36 2.00 0.00 2.21 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.98 0.00 75 V 8.00 4.31 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 -0.32 0.00 0.00 -0.39 0.00 0.00 76 F 9.22 4.98 0.00 2.69 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 77 S 8.44 5.23 0.00 3.72 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 78 Y 8.95 5.01 0.00 2.90 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.81 0.00 2.14 2.21 0.00 3.92 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.03 0.00 80 A 8.84 4.21 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 81 G 9.25 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 0.00 0.00 0.00 0.00 82 N 7.34 4.69 0.00 2.61 2.72 0.00 0.00 6.97 7.59 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 83 V 7.55 3.77 1.65 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 0.10 0.00 0.00 0.31 0.00 0.00 84 E 8.10 4.60 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 85 S 8.05 4.45 0.00 4.11 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 86 T 8.44 4.77 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 87 G 8.54 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.39 3.67 0.00 3.92 3.98 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 0.00 0.00 0.00 89 A 8.02 4.61 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 90 G 8.09 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 0.00 0.00 0.00 0.00 91 E 7.80 4.92 0.00 2.23 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.48 0.00 92 P 0.00 4.69 0.00 2.31 2.18 0.00 3.80 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.70 0.00 93 L 8.41 4.34 0.00 1.82 1.58 0.85 0.80 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 94 Y 7.74 5.29 0.00 2.22 1.91 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 95 E 8.14 4.40 0.00 1.91 1.55 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 2.36 2.31 0.00 96 N 8.55 5.42 0.00 2.69 2.83 0.00 0.00 6.95 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.96 4.63 0.00 3.94 3.77 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 98 P 0.00 4.69 0.00 2.44 2.24 0.00 3.99 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 99 E 8.49 4.85 0.00 1.89 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 2.34 2.39 0.00 100 F 8.80 4.61 0.00 1.51 1.45 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 0.00 101 T 8.14 4.89 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 1.22 0.00 0.00 102 P 0.00 3.26 0.00 2.62 2.53 0.00 4.03 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 103 Y 8.51 4.26 0.00 3.13 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 0.00 104 L 8.07 4.54 0.00 1.60 1.69 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.47 4.55 0.00 1.53 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 0.00 2.12 2.18 0.00 106 T 8.02 4.31 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 0.36 0.00 0.00 107 N 8.74 4.83 0.00 2.81 2.67 0.00 0.00 7.21 6.40 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 0.00 108 L 7.57 4.68 0.00 1.42 1.56 0.58 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.78 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 *129 D 7.67 4.66 0.00 2.80 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 0.00 130 E 8.14 4.33 0.00 2.09 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 0.00 2.37 2.35 0.00 131 R 8.49 5.02 0.00 1.79 1.92 0.00 2.71 0.00 0.00 2.83 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 132 T 8.98 4.81 4.71 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 1.46 0.00 0.00 133 L 8.97 4.81 0.00 1.86 1.95 1.03 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.53 4.02 1.93 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 0.74 0.00 0.00 0.30 0.00 0.00 135 R 8.16 5.47 0.00 1.62 1.59 0.00 2.88 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.34 0.00 136 R 7.99 4.31 0.00 1.73 1.66 0.00 3.15 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 137 N 9.05 3.80 0.00 2.76 3.13 0.00 0.00 7.08 7.79 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 0.00 138 N 7.84 4.31 0.00 2.85 2.90 0.00 0.00 7.18 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 0.00 139 T 7.68 4.19 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 0.00 140 F 8.44 5.36 0.00 2.92 2.98 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 0.00 0.00 0.00 141 L 9.13 4.87 0.00 1.52 1.57 0.86 0.79 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 0.00 142 S 8.81 5.09 0.00 4.07 4.02 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 0.00 143 L 8.94 4.09 0.00 2.09 1.92 1.15 1.32 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 0.00 144 R 8.16 4.08 0.00 2.10 2.00 0.00 3.38 0.00 0.00 3.53 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.86 0.00 145 D 8.38 4.58 0.00 2.88 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 7.56 3.99 1.69 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 0.25 0.00 0.00 0.81 0.00 0.00 147 F 7.92 5.13 0.00 3.27 2.97 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 0.00 148 G 9.02 4.09 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 0.00 149 K 8.81 4.33 0.00 1.80 1.87 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.43 7.81 150 D 8.68 4.82 0.00 3.06 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 0.00 151 L 7.70 5.05 0.00 1.63 1.66 0.45 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 152 I 8.45 4.77 1.86 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 1.28 1.01 0.88 0.00 0.00 153 Y 8.47 5.19 0.00 2.86 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 0.00 154 T 8.92 4.74 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 155 L 8.70 4.47 0.00 1.77 1.51 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 156 Y 7.43 4.69 0.00 2.55 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 0.00 0.00 0.00 157 Y 7.09 4.74 0.00 2.97 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 *188 S 7.42 4.64 0.00 3.88 3.91 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 0.00 189 V 8.09 4.84 2.11 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 0.77 0.00 0.00 0.90 0.00 0.00 190 Q 8.79 5.34 0.00 2.10 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 191 A 9.36 4.85 1.14 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 0.00 192 V 8.56 4.62 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 1.07 0.00 0.00 0.88 0.00 0.00 193 I 8.90 5.35 1.55 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 0.59 0.61 0.71 0.00 0.00 194 P 0.00 4.37 0.00 2.15 2.13 0.00 3.86 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 195 S 7.71 4.48 0.00 4.03 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 0.00 196 R 7.65 4.34 0.00 1.78 1.96 0.00 3.14 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 197 T 8.38 4.24 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 0.00 198 V 7.12 4.02 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 0.76 0.00 0.00 0.95 0.00 0.00 199 N 8.17 4.01 0.00 2.73 3.21 0.00 0.00 6.92 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 0.00 200 R 7.57 4.04 0.00 1.71 1.91 0.00 3.14 0.00 0.00 3.44 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.63 0.00 201 K 7.95 4.99 0.00 1.56 1.65 0.00 1.71 0.00 0.00 1.94 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.35 7.81 202 S 8.46 4.78 0.00 3.83 3.75 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 0.00 203 T 8.20 4.66 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 1.21 0.00 0.00 204 D 8.66 5.85 0.00 2.63 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 0.00 205 S 8.25 4.22 0.00 3.89 3.75 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 * Residues marked with a * may have inaccurate shift predictions.