NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.1880 8.3449 118.8270 54.5323 30.6219 175.7846 3 N 4.0926 8.2839 112.4707 53.3383 36.0824 172.4679 4 R 4.6540 7.6376 117.7075 55.6271 32.8284 175.9724 5 V 4.1913 8.8405 122.2807 60.3942 32.6775 173.8348 6 P 5.2617 0.0000 0.0000 62.6064 32.9731 174.9907 7 S 4.8694 8.9881 115.1568 58.0593 66.9055 172.6502 8 S 5.2949 8.4836 113.1881 57.2276 66.0047 173.3516 9 R 4.6508 8.7874 121.3745 54.6987 32.6066 174.6580 10 T 4.2905 8.6803 123.7894 63.9604 68.4040 174.3830 11 V 4.1771 8.8633 127.7186 64.5820 32.7247 176.1397 12 S 4.9334 7.8269 112.7257 57.2822 66.7512 173.1233 13 Y 5.0691 8.7633 122.8955 56.9049 40.9979 173.5862 14 F 5.0982 8.6625 121.0533 55.8993 41.9771 173.1061 15 V 4.6132 8.3913 119.5088 62.0518 32.6741 174.5530 16 A 4.6765 8.6394 127.4800 51.2456 23.3719 174.8503 17 K 4.7942 8.5054 118.7134 54.5867 33.3713 175.8752 18 P 4.6772 0.0000 0.0000 62.3814 32.3140 176.6349 19 S 4.5362 8.9037 115.6398 57.7631 65.4270 175.4952 20 S 4.1552 8.4872 117.1858 61.6422 62.4387 176.8652 21 S 4.0394 8.0275 115.2857 61.4578 62.2986 175.7388 22 E 4.0237 8.2398 121.2348 59.7461 29.2138 179.0773 23 M 3.9775 8.5341 118.8694 58.5094 31.9240 178.2622 24 E 3.8616 8.5732 119.2655 59.5480 29.6298 179.0382 25 K 3.8757 8.0102 117.0288 58.2137 32.2165 178.3699 26 L 4.2933 8.0281 117.0753 53.1508 43.0963 176.4858 27 Q 3.3954 7.5056 117.3135 57.2363 26.4481 172.1087 28 L 4.8578 8.1971 116.1150 52.8643 46.4042 176.9113 29 G 4.1282 8.6285 108.9190 43.3446 0.0000 173.4248 30 P 4.3278 0.0000 0.0000 64.9004 31.4071 177.8541 31 E 4.1653 8.0260 114.5580 57.6399 30.2538 176.0466 32 D 4.4597 7.7207 119.5410 54.1374 40.7520 176.2924 33 S 4.6951 8.6671 121.2763 58.5928 64.3435 173.5357 34 I 5.1209 8.8388 116.2878 59.1031 41.0170 173.7403 35 L 4.9020 9.2723 126.6819 53.7000 44.1936 175.0529 36 R 4.7518 8.4790 125.8428 54.7172 33.2832 173.4574 37 M 4.6570 8.7104 125.9971 53.3450 35.2329 174.6915 38 E 4.8151 8.8235 121.7612 54.5732 33.8833 174.8721 39 R 4.8854 7.8168 122.5901 55.2243 34.3260 173.3985 40 I 4.6041 8.5956 127.1455 59.8618 39.4893 174.6647 41 R 4.9137 8.1877 125.2916 54.4078 32.6999 175.1635 42 F 5.3025 9.4701 122.2104 55.6337 42.9219 174.7384 43 A 4.8379 8.8787 123.0004 50.0610 20.9468 176.4078 44 D 4.3033 9.6504 125.0440 56.5247 38.8319 175.3524 45 D 4.4047 8.1956 114.6582 54.6663 39.7426 174.6902 46 I 4.2920 7.5826 121.4726 59.7010 37.9602 173.7683 47 P 4.3825 0.0000 0.0000 62.7257 32.2118 175.7263 48 I 4.6741 8.4522 122.2024 62.7108 40.3155 175.1962 49 C 4.7043 7.4524 113.8956 56.9083 33.1194 172.4007 50 F 5.0635 9.3144 122.9465 56.3825 41.4281 173.7731 51 E 4.6557 8.2017 126.7936 54.1780 32.5306 174.2227 52 V 4.4322 8.5479 127.3374 60.8891 34.0515 173.8842 53 A 4.9620 8.7148 130.1145 50.0870 21.7661 174.7544 54 S 5.1249 8.9124 118.9106 56.6814 66.1057 173.4211 55 I 5.1775 8.4282 124.6841 57.7551 40.7323 173.3126 56 P 4.6051 0.0000 0.0000 62.5720 31.9638 176.9280 57 Y 4.2237 9.0809 125.6100 60.9380 38.4785 178.5966 58 S 4.1552 8.3320 113.8628 61.4993 62.8475 175.8167 59 L 4.2612 7.9894 120.5141 55.5826 42.7054 177.8820 60 V 3.8967 7.6138 114.9450 60.7756 30.9728 175.8266 *85 G 4.2900 7.4307 113.8940 43.7035 0.0000 173.1511 86 H 5.1241 8.8206 124.1040 54.3303 31.3788 172.6284 87 S 5.2157 8.3550 111.2538 57.4698 65.6464 173.4069 88 N 5.1481 9.4547 118.4742 51.6864 40.7893 173.1413 89 Q 5.3513 8.7291 119.4296 54.4974 32.0128 174.8004 90 T 4.8113 8.8060 111.1208 60.0606 72.7326 172.5847 91 I 5.2444 8.2844 122.5127 59.8775 40.5844 174.7275 92 S 4.7505 9.0419 118.9167 57.4430 67.1911 172.0894 93 A 5.3169 8.5392 121.1827 50.3459 20.9859 176.1149 94 V 4.5502 8.6795 114.5157 59.3877 36.3078 174.3994 95 Q 4.8742 8.5064 122.2743 54.9311 30.5646 174.9790 96 A 4.2229 8.8335 127.9883 51.8390 19.4419 177.9580 97 S 4.5260 8.5854 117.4430 57.7192 64.7034 175.0693 98 E 3.8108 8.6188 120.8024 59.3895 29.2439 178.5912 99 Q 3.5269 7.6567 118.9645 59.0998 29.2472 177.8622 100 I 3.2211 7.0795 120.6397 64.0167 37.0502 177.9691 101 A 3.9319 8.2372 122.0336 55.3499 17.8526 179.4131 102 E 3.7924 7.6994 117.1311 59.5818 29.5159 178.5136 103 Y 4.4723 7.2729 115.5177 61.0214 38.1044 177.9734 104 L 4.3470 8.2332 116.6471 53.8159 42.3848 176.3027 105 E 3.8235 7.8934 117.6056 57.7576 27.4170 173.4035 106 I 4.7777 7.5810 112.8562 59.0920 40.8017 174.2003 107 K 4.5788 8.4879 118.3545 54.3302 34.2334 175.8295 108 R 4.1295 8.4173 121.6747 58.5693 30.2592 175.3975 109 G 4.1037 9.1829 112.6669 45.4376 0.0000 173.8512 110 D 4.5202 7.9424 118.6793 54.9959 41.9056 176.4607 111 A 4.7682 8.5470 124.0402 51.9214 19.8013 176.9095 112 I 4.7175 8.5223 121.2486 59.5626 42.1379 174.8177 113 L 4.7270 8.6949 126.3472 54.7830 43.3120 175.8457 114 R 5.1895 9.3732 122.9035 54.6838 33.6824 173.6924 115 V 4.8442 8.9975 126.5724 61.3773 33.8065 174.2758 116 R 5.0432 8.7329 127.1948 54.7145 32.4990 175.1076 117 Q 4.9677 9.3205 124.6061 54.2040 32.5785 173.8916 118 V 4.6398 8.4392 125.5153 61.1704 34.3535 174.3938 119 S 4.7630 7.9744 123.2339 57.0352 65.4288 172.7701 120 Y 5.1913 8.5837 119.1818 56.1867 42.4346 175.6018 121 F 4.7412 9.1652 122.0605 57.0052 40.0416 176.5466 122 E 4.0774 9.2488 120.7596 59.9196 29.1629 179.5537 123 N 4.1270 8.3324 114.2397 54.7298 37.0335 175.7001 124 G 3.9147 8.3774 106.3269 45.2618 0.0000 172.8613 125 L 4.3015 7.9883 122.4042 53.7623 42.5251 174.6088 126 P 4.5887 0.0000 0.0000 62.6627 31.9181 175.9656 127 F 4.9452 8.4658 115.4578 56.2970 40.4549 174.2176 128 E 4.7231 6.8824 119.7080 54.4631 33.4171 173.1544 129 Y 5.1663 8.8604 126.9148 55.9563 41.8312 173.9888 130 V 4.5990 8.9892 127.1984 61.0070 34.9199 174.5325 131 R 4.9139 8.7169 125.7558 54.8384 33.8155 174.0782 132 T 4.9188 8.9004 121.3678 61.7240 71.3415 173.5482 133 Q 5.1344 8.9789 124.6661 54.3549 32.4142 173.9801 134 Y 4.3856 8.3696 120.4071 55.3583 39.5600 176.9496 135 A 4.3411 7.6964 126.3762 50.6408 15.0851 175.9634 136 G 4.1972 9.4499 106.8195 43.8639 0.0000 171.9569 137 S 3.6584 8.7311 114.7335 57.8313 59.4016 169.7161 138 R 4.2926 8.0562 127.7982 56.4783 27.5324 174.9013 139 F 4.1008 7.8327 116.3539 57.4920 39.5072 174.4567 140 E 4.6229 8.0853 121.8404 54.6988 33.4355 174.8243 141 F 5.0792 8.4713 119.2871 55.8701 41.9708 174.4465 142 Y 4.7798 8.6147 122.9775 55.8713 41.3883 174.5362 143 L 4.7879 7.5908 125.2198 52.9039 45.6819 175.6326 144 E 4.5284 8.3020 118.6393 54.7646 33.2619 175.9780 145 K 4.1641 8.5975 121.6547 56.5404 32.6256 175.9559 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 2 Q 8.34 4.19 0.00 2.19 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.49 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 3 N 8.28 4.09 0.00 2.99 2.98 0.00 0.00 6.91 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.64 4.65 0.00 1.74 1.95 0.00 3.24 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.65 0.00 5 V 8.84 4.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.95 0.00 0.00 6 P 0.00 5.26 0.00 2.14 2.13 0.00 3.81 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 7 S 8.99 4.87 0.00 3.92 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 8 S 8.48 5.29 0.00 3.86 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 9 R 8.79 4.65 0.00 2.06 1.92 0.00 3.11 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 10 T 8.68 4.29 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 1.38 0.00 0.00 11 V 8.86 4.18 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 0.85 0.00 0.00 0.59 0.00 0.00 12 S 7.83 4.93 0.00 4.36 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.76 5.07 0.00 3.02 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 14 F 8.66 5.10 0.00 3.19 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 15 V 8.39 4.61 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 0.15 0.00 0.00 0.68 0.00 0.00 16 A 8.64 4.68 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 17 K 8.51 4.79 0.00 1.68 1.94 0.00 1.90 0.00 0.00 1.77 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.39 7.81 18 P 0.00 4.68 0.00 2.21 2.08 0.00 3.97 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 19 S 8.90 4.54 0.00 4.12 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 20 S 8.49 4.16 0.00 3.91 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 21 S 8.03 4.04 0.00 3.96 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 22 E 8.24 4.02 0.00 2.37 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 2.58 2.52 0.00 23 M 8.53 3.98 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.67 0.00 24 E 8.57 3.86 0.00 2.02 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 2.25 2.33 0.00 25 K 8.01 3.88 0.00 0.80 1.21 0.00 1.32 0.00 0.00 1.42 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.15 0.21 7.81 26 L 8.03 4.29 0.00 1.75 1.68 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.51 3.40 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 28 L 8.20 4.86 0.00 1.60 1.56 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.63 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 30 P 0.00 4.33 0.00 2.07 2.15 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 31 E 8.03 4.17 0.00 2.09 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 2.27 2.29 0.00 32 D 7.72 4.46 0.00 2.89 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 33 S 8.67 4.70 0.00 3.81 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.84 5.12 1.93 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.99 0.95 0.00 0.00 35 L 9.27 4.90 0.00 2.10 1.71 1.26 1.28 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 36 R 8.48 4.75 0.00 1.57 1.09 0.00 3.08 0.00 0.00 2.93 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.24 0.00 37 M 8.71 4.66 0.00 1.47 1.48 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.08 0.00 38 E 8.82 4.82 0.00 1.98 1.79 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 2.11 2.20 0.00 39 R 7.82 4.89 0.00 1.60 1.44 0.00 2.96 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.53 0.00 40 I 8.60 4.60 1.66 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 1.23 0.34 0.26 0.00 0.00 41 R 8.19 4.91 0.00 1.58 1.73 0.00 2.95 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.36 0.00 42 F 9.47 5.30 0.00 2.94 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 43 A 8.88 4.84 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 D 9.65 4.30 0.00 2.81 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 45 D 8.20 4.40 0.00 2.84 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 46 I 7.58 4.29 2.09 0.00 0.00 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 1.36 0.67 1.02 0.00 0.00 47 P 0.00 4.38 0.00 2.05 1.83 0.00 3.75 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.44 0.00 48 I 8.45 4.67 1.97 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.34 1.00 0.00 0.00 49 C 7.45 4.70 0.00 2.39 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 0.00 0.00 0.00 50 F 9.31 5.06 0.00 3.01 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 51 E 8.20 4.66 0.00 1.72 1.51 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 1.88 1.95 0.00 52 V 8.55 4.43 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 0.85 0.00 0.00 0.73 0.00 0.00 53 A 8.71 4.96 0.99 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 0.00 0.00 54 S 8.91 5.12 0.00 3.72 3.72 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 55 I 8.43 5.18 1.92 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 1.33 1.84 1.06 0.00 0.00 56 P 0.00 4.61 0.00 2.16 2.04 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.13 0.00 57 Y 9.08 4.22 0.00 3.00 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 58 S 8.33 4.16 0.00 4.09 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.99 4.26 0.00 1.85 1.86 1.12 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.61 3.90 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 0.48 0.00 0.00 0.31 0.00 0.00 *85 G 7.43 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 0.00 0.00 0.00 0.00 86 H 8.82 5.12 0.00 3.26 3.48 0.00 5.48 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.36 5.22 0.00 3.83 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 9.45 5.15 0.00 2.82 2.97 0.00 0.00 6.94 7.19 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 89 Q 8.73 5.35 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.83 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 90 T 8.81 4.81 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 1.22 0.00 0.00 91 I 8.28 5.24 1.88 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 1.29 0.61 1.00 0.00 0.00 92 S 9.04 4.75 0.00 3.89 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 93 A 8.54 5.32 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 94 V 8.68 4.55 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.96 0.00 0.00 95 Q 8.51 4.87 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 96 A 8.83 4.22 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 97 S 8.59 4.53 0.00 3.95 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 98 E 8.62 3.81 0.00 2.03 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 2.31 2.33 0.00 99 Q 7.66 3.53 0.00 1.93 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.68 0.00 0.00 0.00 0.00 0.00 1.50 2.17 0.00 100 I 7.08 3.22 1.68 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 -0.17 0.82 0.00 0.00 101 A 8.24 3.93 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 0.00 102 E 7.70 3.79 0.00 2.02 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 0.00 2.30 2.30 0.00 103 Y 7.27 4.47 0.00 2.95 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 0.00 104 L 8.23 4.35 0.00 1.58 1.72 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.89 3.82 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 106 I 7.58 4.78 2.06 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 0.67 1.00 0.00 0.00 107 K 8.49 4.58 0.00 1.78 1.71 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.48 7.81 108 R 8.42 4.13 0.00 1.72 1.84 0.00 3.30 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.81 0.00 109 G 9.18 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 0.00 0.00 0.00 0.00 110 D 7.94 4.52 0.00 2.71 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.55 4.77 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 0.00 112 I 8.52 4.72 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.66 0.96 0.00 0.00 113 L 8.69 4.73 0.00 1.67 1.75 0.70 0.87 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 0.00 114 R 9.37 5.19 0.00 1.86 1.77 0.00 3.08 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 115 V 9.00 4.84 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.04 0.00 0.00 116 R 8.73 5.04 0.00 1.90 2.03 0.00 3.26 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 117 Q 9.32 4.97 0.00 1.98 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 118 V 8.44 4.64 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 0.09 0.00 0.00 0.75 0.00 0.00 119 S 7.97 4.76 0.00 2.72 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 0.00 120 Y 8.58 5.19 0.00 2.65 2.80 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 0.00 121 F 9.17 4.74 0.00 3.32 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 0.00 122 E 9.25 4.08 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 123 N 8.33 4.13 0.00 2.90 3.04 0.00 0.00 6.16 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.38 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 0.00 0.00 0.00 125 L 7.99 4.30 0.00 1.95 2.05 1.04 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.59 0.00 1.98 1.76 0.00 3.80 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.28 0.00 127 F 8.47 4.95 0.00 2.95 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 0.00 128 E 6.88 4.72 0.00 1.52 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 2.05 2.14 0.00 129 Y 8.86 5.17 0.00 2.80 2.64 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 0.00 0.00 0.00 0.00 130 V 8.99 4.60 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 0.73 0.00 0.00 0.75 0.00 0.00 131 R 8.72 4.91 0.00 1.50 1.57 0.00 2.83 0.00 0.00 2.27 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.12 0.00 132 T 8.90 4.92 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 0.79 0.00 0.00 133 Q 8.98 5.13 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 134 Y 8.37 4.39 0.00 2.72 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 0.00 0.00 0.00 0.00 135 A 7.70 4.34 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 0.00 136 G 9.45 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 0.00 137 S 8.73 3.66 0.00 4.14 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 0.00 138 R 8.06 4.29 0.00 1.84 2.07 0.00 3.13 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.26 0.00 139 F 7.83 4.10 0.00 2.85 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 E 8.09 4.62 0.00 1.82 1.77 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 2.15 2.38 0.00 141 F 8.47 5.08 0.00 3.02 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 Y 8.61 4.78 0.00 2.88 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 0.00 143 L 7.59 4.79 0.00 1.41 1.35 0.90 0.81 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 0.00 144 E 8.30 4.53 0.00 1.86 1.77 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 2.16 2.19 0.00 145 K 8.60 4.16 0.00 1.67 1.64 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.33 7.81 * Residues marked with a * may have inaccurate shift predictions.