NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4249 8.3049 120.3234 54.6682 34.1201 175.5127 2 D 4.3870 7.8128 118.7487 53.1734 41.5535 174.3696 3 N 4.4140 8.5332 118.4138 52.7630 40.0622 174.8601 4 K 3.6601 8.4469 121.0281 57.2015 32.4955 176.6141 5 T 4.1160 8.2041 122.9770 63.6365 69.0988 173.4856 6 Y 4.8728 8.2731 122.4877 56.0136 41.7178 174.9319 7 E 4.4606 8.8317 122.8862 55.7589 30.7702 175.7239 8 I 4.3922 8.0132 123.1104 59.0018 39.8609 176.6392 9 S 4.5661 9.7471 121.8333 57.5356 65.1778 175.0572 10 S 4.3400 8.8515 116.4389 62.0858 61.5714 176.3793 11 A 4.3497 7.9815 122.4625 54.9594 18.2629 179.2768 12 E 3.8646 8.1640 117.2703 59.2135 29.3204 179.5182 13 W 4.2497 8.2899 119.2826 59.5517 28.5449 178.1033 14 E 4.0367 8.2404 119.5127 59.3270 29.0929 179.1281 15 V 3.6169 7.6210 117.9234 66.1661 31.4934 178.0190 16 M 3.5555 7.8635 118.5045 58.1021 31.8132 178.5000 17 N 4.8683 8.6121 116.8208 56.1456 38.5831 177.6882 18 I 3.8052 7.3909 120.8842 64.2880 37.2930 178.0643 19 I 3.6725 7.6416 120.6543 64.4752 36.7340 178.4555 20 W 4.4364 8.0074 118.2953 60.0458 28.9089 177.9765 21 M 4.2657 8.0269 116.7867 58.2673 31.8536 177.7124 22 K 4.2433 8.2546 116.1554 55.7478 32.7393 176.8801 23 K 4.0915 8.1286 124.2571 56.8767 32.2069 174.5700 24 Y 5.2375 7.8384 113.4804 56.0924 40.7794 174.5559 25 A 5.0796 9.3370 125.6416 50.2531 23.2231 175.8247 26 S 5.0586 9.5186 116.5654 57.0352 64.7697 175.1805 27 A 3.9581 9.2299 122.1069 55.7972 17.8977 179.7795 28 N 4.2952 8.1914 114.0630 56.5993 38.7240 177.0392 29 N 4.3386 8.1954 117.8451 56.4604 38.5031 177.4884 30 I 3.7933 7.6360 120.5565 64.2694 37.4539 177.8569 31 I 3.6907 7.9340 121.1081 64.7422 36.4617 177.9446 32 E 3.9549 8.2364 117.7488 59.7335 29.6869 179.0205 33 E 3.9684 7.9987 119.2655 59.0084 29.4594 179.4666 34 I 3.4817 7.9716 120.0228 64.4756 36.9669 178.5890 35 Q 4.6539 7.7665 118.7279 58.3033 28.4831 178.2425 36 M 4.1272 7.4287 118.6058 57.9943 32.0574 177.2338 37 Q 4.3579 7.2036 114.3363 55.9798 30.5524 176.0127 38 K 4.2825 7.7628 116.3570 54.4402 35.7202 175.5028 39 D 5.0144 8.1938 122.7012 52.4641 39.6390 175.2342 40 W 5.1264 7.4286 120.6452 54.2573 32.7018 176.7348 41 S 4.5319 8.4652 116.2464 57.1981 64.8507 173.4369 42 P 4.2332 0.0000 0.0000 65.9075 31.0543 178.5629 43 K 3.8461 8.1336 117.5184 59.9847 32.0765 178.6200 44 T 3.8157 7.7615 115.5970 66.8111 68.4197 176.7876 45 I 3.8367 8.2287 122.0977 64.5079 37.0584 178.8140 46 R 3.9008 8.3845 119.2301 59.2993 29.7318 179.2033 47 T 3.8487 8.0642 115.9071 66.5445 68.4164 176.6911 48 L 3.8942 7.6547 120.4496 57.5721 41.5851 179.5148 49 I 3.4454 7.6818 119.7102 64.6369 36.9496 178.3435 50 T 3.8702 8.0119 116.8401 66.7560 68.3064 176.4003 51 R 3.7889 8.1083 120.4341 59.5046 30.0998 178.5104 52 L 4.0030 7.8611 118.6371 57.8181 41.6734 178.8520 53 Y 4.3479 8.0601 120.7760 60.3319 38.6153 178.3725 54 K 3.7242 8.1102 118.0450 59.2602 32.1832 178.9921 55 K 3.7785 7.5815 117.3096 57.1447 32.1188 178.0884 56 G 3.7774 7.4306 106.7744 44.7695 0.0000 174.3651 57 F 4.6330 7.9660 119.4346 59.6470 39.7939 175.2988 58 I 4.9353 7.5644 110.5885 59.5349 41.4305 173.7565 59 D 5.2171 8.4927 122.4829 53.2183 45.0957 173.7070 60 R 5.6592 8.8333 113.7531 55.1581 32.4148 174.6945 61 K 4.7194 8.9143 120.2454 54.6902 35.9257 175.3389 62 K 4.7054 8.7779 125.6633 55.2881 32.1071 174.5589 63 D 4.6638 8.3838 126.4581 53.5842 43.5092 175.6106 64 N 3.8990 8.3230 123.2553 55.2325 38.5175 175.6034 65 K 4.4711 8.4496 110.0684 55.0856 32.2448 176.5706 66 I 4.4480 7.5357 118.6774 59.3806 40.5864 176.7594 67 F 4.5791 8.7300 126.2125 58.4280 40.1296 174.3893 68 Q 5.0165 9.1972 121.9869 54.4005 31.9878 174.2107 69 Y 5.1457 9.5092 122.3989 57.1579 40.2390 174.3043 70 Y 5.2179 8.6417 119.8622 55.3017 42.0394 174.1886 71 S 4.6174 8.7590 115.7257 58.6623 63.0920 173.6729 72 L 4.8432 8.8657 125.6608 54.4936 42.3073 176.7799 73 V 4.5666 8.0203 118.9005 58.9148 34.1899 175.6174 74 E 4.1748 8.8176 123.9606 55.8169 30.9925 176.9393 75 E 3.0300 8.6894 127.2000 59.2637 29.6679 179.0344 76 S 4.1098 8.0661 113.7008 61.0376 63.3075 176.2486 77 D 4.3840 7.9380 122.0601 57.3220 40.6776 178.3897 78 I 3.9148 7.8636 119.1466 64.1597 38.0435 178.1134 79 K 4.1328 8.1769 119.2517 59.3197 31.8008 178.8560 80 Y 4.0719 8.0364 119.6856 60.5766 38.7908 177.4759 81 K 3.6809 8.2399 120.5561 60.0784 32.2326 178.6634 82 T 4.0084 8.2480 115.7103 66.7780 68.3367 176.7675 83 S 4.1685 8.2127 117.0165 61.5572 62.7886 176.9050 84 K 3.8465 8.2544 121.3377 59.6031 31.8077 179.0016 85 N 4.3145 8.2889 116.7076 56.5083 38.4629 177.2717 86 F 4.2135 8.3735 121.9311 61.1695 39.4024 177.4397 87 I 3.9068 8.2647 119.8017 64.5432 36.7536 178.2060 88 N 4.4389 8.2960 116.3895 55.7883 38.3249 177.1586 89 K 4.0059 7.7325 120.6477 58.9280 32.4604 178.2399 90 V 3.7136 7.1564 116.4140 64.0027 31.9758 176.0125 91 Y 4.4280 7.7728 114.6224 56.9623 37.9776 177.0542 92 K 3.8393 8.9173 116.9784 57.0693 31.5196 176.2499 93 G 3.9502 8.4690 106.6347 45.4864 0.0000 174.8389 94 G 3.8865 8.0076 107.6662 43.3709 0.0000 173.9167 95 F 4.1841 8.8519 130.2237 61.2354 39.2951 176.3847 96 N 4.0882 8.3524 115.2750 56.6255 38.2242 177.3446 97 S 4.0587 7.7386 115.8674 61.2126 62.8735 176.4889 98 L 2.6840 7.0765 122.4737 57.6303 41.8605 178.9427 99 V 3.2594 7.0866 118.0709 65.7066 31.3000 177.4588 100 L 3.8663 7.9302 120.3129 58.4330 41.8397 178.5001 101 N 4.3026 8.3104 116.9095 56.7483 38.8603 176.5620 102 F 3.9917 8.3121 122.1431 60.9694 39.2187 177.4099 103 V 3.7094 7.8309 117.4724 65.7746 31.4460 177.5957 104 E 4.0908 8.3798 117.7198 58.4663 29.2737 177.8959 105 K 4.3532 7.3027 116.0593 56.9992 34.4250 176.6496 106 E 4.1610 7.5763 116.9723 55.8409 30.1311 175.1662 107 D 4.6696 8.1762 117.9449 54.0973 41.4696 176.0919 108 L 4.7270 8.2210 117.5951 53.7648 41.4051 177.3569 109 S 4.2624 8.6556 118.8041 58.7127 63.2190 175.3175 110 Q 4.2815 8.5111 118.4678 57.0546 28.6264 177.2610 111 D 4.5332 7.6078 118.0546 55.9593 42.2537 178.3608 112 E 3.8512 8.2766 118.7940 59.6059 29.5672 178.8361 113 I 3.7632 7.5253 119.8208 64.3303 37.0425 178.2205 114 E 3.9019 8.0110 119.9626 59.3164 29.5954 178.2859 115 E 4.0112 7.7054 118.9067 59.1850 29.4438 179.0349 116 L 3.9816 7.4556 118.3086 57.7475 41.7949 179.0652 117 R 3.9215 7.9886 118.0227 59.7746 30.2195 178.6996 118 N 4.4768 8.6272 115.6006 55.6495 38.3582 177.6048 119 I 3.8355 7.3050 120.6028 63.9021 37.1859 178.1471 120 L 4.1388 7.5799 119.3619 58.0169 41.6928 178.9050 121 N 4.4998 8.0880 115.1656 57.6027 39.0933 175.7398 122 K 4.1605 7.9130 123.6546 56.0775 34.1878 177.2763 *123 K 4.1330 8.5288 118.6870 55.1511 32.3269 171.5849 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.42 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 2 D 7.81 4.39 0.00 2.72 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 N 8.53 4.41 0.00 2.64 2.69 0.00 0.00 6.86 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.45 3.66 0.00 1.57 1.53 0.00 1.61 0.00 0.00 1.33 0.00 0.00 2.74 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.82 1.23 7.81 5 T 8.20 4.12 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 6 Y 8.27 4.87 0.00 3.02 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 7 E 8.83 4.46 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 8 I 8.01 4.39 0.98 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.49 -0.24 0.00 0.00 9 S 9.75 4.57 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 10 S 8.85 4.34 0.00 4.01 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 11 A 7.98 4.35 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.16 3.86 0.00 2.00 1.68 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 2.17 2.22 0.00 13 W 8.29 4.25 0.00 3.60 3.19 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 0.00 0.00 0.00 14 E 8.24 4.04 0.00 2.38 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 0.00 2.24 2.39 0.00 15 V 7.62 3.62 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 0.83 0.00 0.00 1.01 0.00 0.00 16 M 7.86 3.56 0.00 0.51 1.60 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.36 0.00 17 N 8.61 4.87 0.00 3.01 3.06 0.00 0.00 7.03 7.60 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 18 I 7.39 3.81 2.01 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 1.54 0.69 0.92 0.00 0.00 19 I 7.64 3.67 1.67 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.58 0.77 0.00 0.00 20 W 8.01 4.44 0.00 3.42 3.18 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 21 M 8.03 4.27 0.00 2.23 2.27 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 2.67 2.63 0.00 22 K 8.25 4.24 0.00 1.83 1.92 0.00 1.93 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.65 7.81 23 K 8.13 4.09 0.00 1.93 1.95 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.95 1.33 7.81 24 Y 7.84 5.24 0.00 2.93 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 25 A 9.34 5.08 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 26 S 9.52 5.06 0.00 4.06 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 27 A 9.23 3.96 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 28 N 8.19 4.30 0.00 2.78 2.90 0.00 0.00 7.06 6.92 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 29 N 8.20 4.34 0.00 3.10 2.93 0.00 0.00 7.07 6.95 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 30 I 7.64 3.79 1.96 0.00 0.00 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 1.49 0.68 0.87 0.00 0.00 31 I 7.93 3.69 2.08 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 1.60 0.93 0.92 0.00 0.00 32 E 8.24 3.95 0.00 2.21 2.22 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 2.49 2.36 0.00 33 E 8.00 3.97 0.00 2.13 2.02 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 2.43 2.51 0.00 34 I 7.97 3.48 2.08 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.54 0.63 0.00 0.00 35 Q 7.77 4.65 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 36 M 7.43 4.13 0.00 1.98 2.20 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.65 0.00 37 Q 7.20 4.36 0.00 1.88 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.64 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 38 K 7.76 4.28 0.00 0.79 0.74 0.00 1.42 0.00 0.00 1.34 0.00 0.00 2.81 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.79 0.21 7.81 39 D 8.19 5.01 0.00 2.61 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 40 W 7.43 5.13 0.00 3.38 2.93 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 41 S 8.47 4.53 0.00 4.09 4.04 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 42 P 0.00 4.23 0.00 2.19 2.18 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 43 K 8.13 3.85 0.00 1.82 1.82 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.54 7.81 44 T 7.76 3.82 4.57 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 0.00 0.00 1.07 0.00 0.00 45 I 8.23 3.84 2.04 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.10 0.93 0.00 0.00 46 R 8.38 3.90 0.00 2.01 1.94 0.00 3.13 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 47 T 8.06 3.85 4.46 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 1.15 0.00 0.00 48 L 7.65 3.89 0.00 1.82 1.63 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.68 3.45 1.74 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 -0.03 0.00 0.00 50 T 8.01 3.87 4.40 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 1.24 0.00 0.00 51 R 8.11 3.79 0.00 1.92 1.99 0.00 3.07 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 52 L 7.86 4.00 0.00 1.82 1.67 0.71 0.30 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 53 Y 8.06 4.35 0.00 3.08 3.16 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 0.00 0.00 0.00 0.00 54 K 8.11 3.72 0.00 1.74 1.76 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.72 7.81 55 K 7.58 3.78 0.00 1.75 1.30 0.00 1.60 0.00 0.00 1.46 0.00 0.00 2.52 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 1.23 7.81 56 G 7.43 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 7.97 4.63 0.00 3.09 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 58 I 7.56 4.94 1.95 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 1.21 1.03 0.79 0.00 0.00 59 D 8.49 5.22 0.00 2.35 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.83 5.66 0.00 1.10 0.66 0.00 2.21 0.00 0.00 2.25 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.09 0.00 61 K 8.91 4.72 0.00 1.75 1.70 0.00 1.41 0.00 0.00 1.58 0.00 0.00 2.72 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.57 7.81 62 K 8.78 4.71 0.00 1.79 1.69 0.00 1.55 0.00 0.00 1.38 0.00 0.00 2.20 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 0.85 7.81 63 D 8.38 4.66 0.00 2.60 2.42 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 64 N 8.32 3.90 0.00 2.82 2.33 0.00 0.00 6.83 6.68 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 65 K 8.45 4.47 0.00 1.65 1.64 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.19 1.28 7.81 66 I 7.54 4.45 1.95 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 1.21 0.69 0.94 0.00 0.00 67 F 8.73 4.58 0.00 2.97 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 9.20 5.02 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.83 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 69 Y 9.51 5.15 0.00 3.09 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 70 Y 8.64 5.22 0.00 2.69 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 71 S 8.76 4.62 0.00 3.77 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.87 4.84 0.00 1.81 1.69 0.93 1.16 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 73 V 8.02 4.57 2.39 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 1.08 0.00 0.00 1.18 0.00 0.00 74 E 8.82 4.17 0.00 2.16 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 2.48 2.50 0.00 75 E 8.69 3.03 0.00 1.16 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 1.75 1.47 0.00 76 S 8.07 4.11 0.00 4.03 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 77 D 7.94 4.38 0.00 2.94 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 78 I 7.86 3.91 2.12 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 1.31 0.00 0.00 79 K 8.18 4.13 0.00 1.91 1.77 0.00 1.51 0.00 0.00 1.40 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.60 7.81 80 Y 8.04 4.07 0.00 3.08 3.19 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 0.00 0.00 0.00 81 K 8.24 3.68 0.00 2.09 2.09 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.56 7.81 82 T 8.25 4.01 4.52 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 1.47 0.00 0.00 83 S 8.21 4.17 0.00 4.06 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 84 K 8.25 3.85 0.00 1.37 1.69 0.00 1.31 0.00 0.00 1.41 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.23 0.74 7.81 85 N 8.29 4.31 0.00 2.99 2.95 0.00 0.00 6.73 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 86 F 8.37 4.21 0.00 3.29 3.33 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 87 I 8.26 3.91 2.10 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 1.72 0.94 1.03 0.00 0.00 88 N 8.30 4.44 0.00 2.88 2.88 0.00 0.00 7.04 8.40 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 89 K 7.73 4.01 0.00 1.71 1.90 0.00 1.77 0.00 0.00 1.63 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.34 7.81 90 V 7.16 3.71 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 0.09 0.00 0.00 0.25 0.00 0.00 91 Y 7.77 4.43 0.00 3.14 2.99 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 92 K 8.92 3.84 0.00 2.03 2.02 0.00 1.46 0.00 0.00 1.77 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.49 7.81 93 G 8.47 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.01 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 95 F 8.85 4.18 0.00 3.06 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 96 N 8.35 4.09 0.00 2.82 2.83 0.00 0.00 7.13 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 7.74 4.06 0.00 4.09 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 98 L 7.08 2.68 0.00 0.81 1.29 1.04 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.09 3.26 1.81 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 0.78 0.00 0.00 0.03 0.00 0.00 100 L 7.93 3.87 0.00 1.81 1.77 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.31 4.30 0.00 2.94 3.00 0.00 0.00 6.96 7.87 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 0.00 102 F 8.31 3.99 0.00 3.22 3.07 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 0.00 103 V 7.83 3.71 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 0.90 0.00 0.00 1.02 0.00 0.00 104 E 8.38 4.09 0.00 2.23 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 2.34 2.36 0.00 105 K 7.30 4.35 0.00 1.96 1.65 0.00 1.56 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.35 7.81 106 E 7.58 4.16 0.00 1.79 1.70 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 1.75 1.47 0.00 107 D 8.18 4.67 0.00 2.59 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.22 4.73 0.00 1.67 1.75 1.01 1.10 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 0.00 109 S 8.66 4.26 0.00 4.00 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 0.00 110 Q 8.51 4.28 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 111 D 7.61 4.53 0.00 2.63 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 0.00 112 E 8.28 3.85 0.00 2.26 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 2.42 2.41 0.00 113 I 7.53 3.76 2.04 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 1.57 1.11 0.92 0.00 0.00 114 E 8.01 3.90 0.00 2.24 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 0.00 2.30 2.35 0.00 115 E 7.71 4.01 0.00 1.95 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 0.00 2.31 2.37 0.00 116 L 7.46 3.98 0.00 2.08 1.69 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 117 R 7.99 3.92 0.00 2.07 2.01 0.00 3.12 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 118 N 8.63 4.48 0.00 2.73 2.86 0.00 0.00 7.09 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 I 7.30 3.84 2.02 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 1.51 0.56 0.92 0.00 0.00 120 L 7.58 4.14 0.00 1.86 1.73 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 121 N 8.09 4.50 0.00 2.70 2.87 0.00 0.00 7.11 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 0.00 122 K 7.91 4.16 0.00 1.81 1.82 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.37 7.81 *123 K 8.53 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.