NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 D 4.5828 8.2227 120.1952 54.2754 42.1067 177.4124 11 L 3.8369 8.5542 115.0816 57.0785 42.1230 176.9427 12 H 4.1553 9.0347 119.0954 59.5737 30.2655 176.5473 13 E 3.9902 8.1892 119.7437 59.1752 29.2810 179.1092 14 I 3.6428 8.1789 120.3839 64.4382 37.1576 178.4864 15 L 3.7869 7.7985 119.5856 58.1530 41.2059 179.3820 16 H 4.1275 8.0432 114.9489 58.7058 28.6224 177.4937 17 E 4.1256 8.0223 119.6024 59.2347 29.4954 178.7749 18 A 4.1467 8.0942 120.0284 53.7375 19.7343 178.0836 19 V 4.4282 7.5702 114.8532 61.0567 31.5016 173.9088 20 P 4.5599 0.0000 0.0000 62.2283 32.4812 176.9384 21 L 4.1513 8.4575 121.0558 55.2409 42.1593 177.6078 22 D 4.6785 9.1707 123.2521 52.7794 41.8500 177.3910 23 A 4.0487 8.3859 120.3154 54.9509 18.2018 179.3471 24 N 4.2235 8.1495 115.3401 56.8585 39.1628 176.6379 25 E 3.9459 9.0655 120.3579 59.6044 29.3677 179.4285 26 R 3.8932 8.1287 117.5818 59.4214 30.3876 177.8387 27 E 4.0880 8.1580 119.0301 59.3440 29.4261 178.9064 28 I 3.8531 7.9299 119.1263 64.1804 37.4890 177.6337 29 L 4.4037 8.1523 117.8502 54.9494 41.6055 178.3714 30 E 3.9637 7.8071 120.3115 59.3935 29.5984 178.7419 31 L 4.0501 7.8851 118.5155 57.7983 41.6728 179.5435 32 K 4.0881 8.0409 118.0027 59.3936 32.0832 179.1537 33 E 4.1298 8.7133 119.4006 59.6417 29.3363 179.1716 34 D 4.3896 8.3224 118.7418 57.2043 40.8314 178.7327 35 A 3.9731 8.2947 121.4959 54.9252 18.4015 179.2528 36 F 4.0160 8.4993 119.2280 61.4003 39.3218 176.8692 37 A 3.7053 7.9879 120.2006 55.4671 18.1661 179.3287 38 Q 3.8101 8.1838 117.8583 59.3067 29.0777 178.6447 39 R 3.8010 7.8941 119.7148 59.2136 30.0794 178.4274 40 R 3.5917 7.8019 118.8816 59.3752 30.0434 178.4179 41 R 3.7839 7.9371 118.5772 59.2313 30.0314 178.0354 42 E 3.8574 8.1677 119.0491 59.4544 29.6987 178.9543 43 I 3.7168 7.7277 119.7575 64.4234 37.0443 178.3849 44 E 3.9935 8.3708 119.6180 59.5263 29.1800 179.3854 45 T 3.8372 8.3823 116.2500 66.6830 68.4643 176.6404 46 R 3.8873 7.8837 119.7998 59.2362 30.1100 178.8745 47 L 3.9301 7.9300 119.8831 58.2397 42.0603 179.2024 48 R 3.8849 8.3239 118.1245 59.0925 29.9429 178.6753 49 A 3.9438 8.2556 120.5919 55.3275 18.3257 179.5443 50 A 3.9038 8.1477 119.1026 55.3986 18.4434 179.5209 51 N 4.3427 8.2084 115.1585 56.3320 38.4941 177.7746 52 G 3.6259 8.2078 107.1799 47.8802 0.0000 175.8759 53 K 3.9458 8.1976 121.3094 58.9715 32.0247 179.4783 54 L 3.8450 8.0964 119.1226 57.5982 41.5453 179.3605 55 A 3.9594 8.0370 120.6141 55.2305 17.8180 179.2557 56 D 4.2545 8.2795 117.3207 57.5412 40.8703 179.0703 57 A 3.9552 8.0565 121.0527 55.3898 18.2067 179.8515 58 I 3.8760 7.8783 118.0763 63.7581 37.1864 178.0633 59 A 4.1067 7.8251 121.0605 55.0744 18.1671 179.4278 60 K 4.3537 7.4333 115.1253 57.9416 32.7665 177.2150 61 N 4.5843 8.2605 119.4100 52.2769 40.8245 171.7565 62 P 4.7415 0.0000 0.0000 60.7673 29.9331 174.8165 63 A 4.5640 7.3485 126.9084 51.9266 22.3715 177.3598 64 W 4.1844 8.5224 131.0564 56.4705 29.0733 176.2265 65 S 4.6023 7.4104 118.9231 56.2642 65.7897 173.2567 66 P 4.2510 0.0000 0.0000 65.5161 30.9184 178.6716 67 E 3.8393 7.9604 117.9247 59.1841 29.5671 178.9002 68 V 3.2781 7.4649 118.3063 65.5026 31.4059 177.4909 69 E 3.9134 8.0886 119.3011 59.3482 29.5411 178.8053 70 A 3.9461 8.2385 120.7433 54.9999 18.4302 179.5466 71 A 3.8563 8.0045 119.2831 55.5904 18.4523 179.7355 72 T 3.8277 7.9506 114.5497 67.2276 68.5891 176.6916 73 Q 4.3861 8.2786 121.0466 58.4507 28.6908 178.7883 74 E 3.9867 8.0873 119.6203 59.3618 29.3884 179.6112 75 V 3.6161 7.7468 118.3057 65.8410 31.3311 177.8079 76 E 3.9643 8.5717 118.8387 59.4770 29.2822 179.3354 77 R 3.9037 8.0426 118.2080 59.4611 30.2030 178.4247 78 A 3.9584 8.1148 120.2549 55.0480 17.8770 179.3100 79 A 4.0686 8.3822 119.7903 55.4397 18.4648 180.1916 80 G 3.5894 8.2348 104.1252 47.9455 0.0000 175.7141 81 D 4.3972 8.4890 121.6793 56.9983 40.7444 178.5186 82 L 3.9971 8.0675 120.8079 58.3483 42.1028 179.1140 83 Q 4.0291 7.8163 117.0904 58.8747 28.5742 178.7218 84 R 3.8980 8.0285 119.3744 59.4845 30.2176 178.3200 85 A 4.1144 8.5866 120.8525 55.5783 18.3126 179.6924 86 T 3.7599 8.4567 114.4631 66.7463 68.6330 176.8647 87 L 3.9788 8.0282 120.7679 57.8739 41.6273 179.6946 88 V 3.7741 8.1850 118.4670 66.3264 31.2102 177.4173 89 H 4.0369 8.0573 116.8636 59.2561 29.6566 176.7945 90 V 3.7352 7.5132 120.3136 65.5144 31.5724 177.7608 91 F 4.3409 8.0571 116.8110 60.1836 38.4383 177.7030 92 E 3.8083 8.2393 115.7002 57.0893 29.3472 178.2438 *94 R 3.3288 7.9498 118.7115 55.5556 31.7000 177.3523 95 A 3.9761 7.8014 119.2037 54.8251 18.3627 178.4544 96 G 3.8139 7.3157 102.2638 46.2282 0.0000 174.2835 97 L 4.2758 7.1471 119.8131 53.8066 42.4373 177.1141 98 K 3.9461 8.6116 121.0970 56.2258 32.6468 176.4814 99 P 4.1910 0.0000 0.0000 66.0553 30.9936 178.7616 100 E 4.0314 8.0779 115.4968 58.9340 29.5728 177.9360 101 H 4.7528 8.1972 115.3248 56.7574 29.1636 177.5317 102 R 3.9220 7.7444 120.9755 58.6592 29.8394 176.9255 103 P 4.2751 0.0000 0.0000 65.5187 31.3012 178.5455 104 A 3.9752 7.9453 119.0517 55.2342 18.5749 178.6839 105 Y 3.9233 7.7935 118.2341 61.0498 38.8255 178.2435 106 D 4.4686 8.6556 120.0439 57.2813 40.8655 178.5911 107 R 3.8052 8.0950 119.1906 59.4608 30.0146 178.4950 108 V 3.4649 7.7582 117.8335 65.9139 31.4057 177.3870 109 L 3.7102 7.8607 120.1735 58.4016 41.8741 178.9848 110 I 3.6518 8.1170 119.7605 64.4510 37.0360 178.2360 111 D 4.2851 8.3930 119.7375 57.2492 40.6767 178.5216 112 A 3.9539 8.0611 121.3446 55.3710 18.1423 179.7701 113 L 3.9402 7.9152 116.3377 57.7448 41.9789 179.3168 114 R 4.0042 8.4358 119.1762 59.3277 30.0004 178.3495 115 R 3.9738 8.4732 119.0186 59.5373 29.9275 178.4788 116 G 3.8126 7.9663 102.9715 46.3904 0.0000 174.4212 117 S 4.6168 7.8055 114.8964 58.3780 63.8835 173.8628 118 Q 4.1835 7.9297 128.7355 56.2434 28.9674 174.6289 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 10 D 8.22 4.58 0.00 2.79 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.55 3.84 0.00 1.86 1.63 0.84 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 12 H 9.03 4.16 0.00 3.29 3.41 0.00 5.74 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.19 3.99 0.00 2.22 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 2.45 2.48 0.00 14 I 8.18 3.64 1.99 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 1.49 0.81 0.83 0.00 0.00 15 L 7.80 3.79 0.00 1.67 1.44 0.51 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 16 H 8.04 4.13 0.00 3.15 3.32 0.00 5.65 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.02 4.13 0.00 2.14 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 2.34 2.32 0.00 18 A 8.09 4.15 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 19 V 7.57 4.43 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 1.04 0.00 0.00 0.86 0.00 0.00 20 P 0.00 4.56 0.00 2.23 2.05 0.00 3.82 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 1.98 1.99 0.00 21 L 8.46 4.15 0.00 1.69 1.74 0.99 1.06 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 22 D 9.17 4.68 0.00 2.91 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 23 A 8.39 4.05 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 24 N 8.15 4.22 0.00 2.81 2.92 0.00 0.00 7.22 7.65 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 25 E 9.07 3.95 0.00 2.14 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 2.33 2.47 0.00 26 R 8.13 3.89 0.00 1.87 2.16 0.00 3.36 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 27 E 8.16 4.09 0.00 2.29 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 2.31 2.36 0.00 28 I 7.93 3.85 1.93 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.70 0.91 0.00 0.00 29 L 8.15 4.40 0.00 1.84 1.73 0.89 0.83 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 30 E 7.81 3.96 0.00 2.39 1.96 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 2.49 2.38 0.00 31 L 7.89 4.05 0.00 1.80 1.73 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.04 4.09 0.00 2.01 1.96 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.71 1.57 7.81 33 E 8.71 4.13 0.00 2.17 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 2.56 2.59 0.00 34 D 8.32 4.39 0.00 2.73 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 A 8.29 3.97 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 36 F 8.50 4.02 0.00 2.89 3.08 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 0.00 37 A 7.99 3.71 1.37 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 0.00 0.00 38 Q 8.18 3.81 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 39 R 7.89 3.80 0.00 2.02 1.90 0.00 3.20 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 40 R 7.80 3.59 0.00 1.03 1.66 0.00 3.11 0.00 0.00 2.81 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.00 41 R 7.94 3.78 0.00 1.83 2.04 0.00 3.12 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 42 E 8.17 3.86 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 43 I 7.73 3.72 1.94 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.68 0.94 0.00 0.00 44 E 8.37 3.99 0.00 2.03 1.96 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 2.30 2.53 0.00 45 T 8.38 3.84 4.38 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 1.19 0.00 0.00 46 R 7.88 3.89 0.00 2.02 1.98 0.00 3.12 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 47 L 7.93 3.93 0.00 1.77 1.79 0.92 0.94 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 48 R 8.32 3.88 0.00 1.86 1.95 0.00 3.18 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 49 A 8.26 3.94 1.38 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 0.00 0.00 50 A 8.15 3.90 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.21 4.34 0.00 2.91 2.87 0.00 0.00 6.91 7.70 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 52 G 8.21 3.63 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 0.00 0.00 0.00 53 K 8.20 3.95 0.00 1.88 2.10 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.69 7.81 54 L 8.10 3.84 0.00 1.83 1.64 0.88 0.34 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 55 A 8.04 3.96 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 56 D 8.28 4.25 0.00 2.82 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 57 A 8.06 3.96 1.29 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 58 I 7.88 3.88 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.97 0.90 0.00 0.00 59 A 7.83 4.11 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 60 K 7.43 4.35 0.00 1.89 1.85 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.56 7.81 61 N 8.26 4.58 0.00 2.72 2.62 0.00 0.00 6.99 7.49 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 62 P 0.00 4.74 0.00 2.23 2.16 0.00 3.86 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 63 A 7.35 4.56 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 64 W 8.52 4.18 0.00 3.42 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 65 S 7.41 4.60 0.00 4.04 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.25 0.00 2.16 2.14 0.00 3.57 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 2.11 2.16 0.00 67 E 7.96 3.84 0.00 1.92 1.83 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 2.33 2.26 0.00 68 V 7.46 3.28 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 -0.54 0.00 0.00 0.69 0.00 0.00 69 E 8.09 3.91 0.00 2.25 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 0.00 2.45 2.47 0.00 70 A 8.24 3.95 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 71 A 8.00 3.86 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.95 3.83 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 1.43 0.00 0.00 73 Q 8.28 4.39 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 74 E 8.09 3.99 0.00 2.22 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 2.32 2.50 0.00 75 V 7.75 3.62 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.00 0.00 0.00 76 E 8.57 3.96 0.00 2.22 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 2.38 2.56 0.00 77 R 8.04 3.90 0.00 2.05 2.11 0.00 3.10 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 78 A 8.11 3.96 1.37 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 0.00 0.00 79 A 8.38 4.07 1.38 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 0.00 0.00 80 G 8.23 3.59 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 0.00 0.00 0.00 81 D 8.49 4.40 0.00 2.88 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 82 L 8.07 4.00 0.00 1.88 1.87 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 7.82 4.03 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.63 2.54 0.00 84 R 8.03 3.90 0.00 1.94 1.97 0.00 3.13 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 85 A 8.59 4.11 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 3.76 4.45 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 1.23 0.00 0.00 87 L 8.03 3.98 0.00 2.00 1.88 1.01 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.19 3.77 2.17 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 1.14 0.00 0.00 1.02 0.00 0.00 89 H 8.06 4.04 0.00 2.73 2.77 0.00 6.02 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.51 3.74 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 0.80 0.00 0.00 0.89 0.00 0.00 91 F 8.06 4.34 0.00 3.26 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.24 3.81 0.00 2.06 2.17 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 2.31 2.34 0.00 *94 R 7.95 3.33 0.00 1.77 2.05 0.00 3.28 0.00 0.00 3.44 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.37 0.00 95 A 7.80 3.98 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 96 G 7.32 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 0.00 0.00 0.00 97 L 7.15 4.28 0.00 1.67 1.52 0.37 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.61 3.95 0.00 1.56 1.74 0.00 1.62 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.49 7.81 99 P 0.00 4.19 0.00 2.12 2.10 0.00 3.55 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 2.09 2.16 0.00 100 E 8.08 4.03 0.00 1.82 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 2.30 2.44 0.00 101 H 8.20 4.75 0.00 3.30 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.74 3.92 0.00 1.89 1.97 0.00 3.11 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 1.53 1.80 0.00 103 P 0.00 4.28 0.00 2.17 2.12 0.00 3.72 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 104 A 7.95 3.98 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 0.00 105 Y 7.79 3.92 0.00 3.09 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 0.00 106 D 8.66 4.47 0.00 2.87 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 0.00 107 R 8.10 3.81 0.00 1.96 2.07 0.00 3.09 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 1.60 1.63 0.00 108 V 7.76 3.46 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 0.86 0.00 0.00 0.92 0.00 0.00 109 L 7.86 3.71 0.00 1.33 1.68 0.72 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 110 I 8.12 3.65 1.89 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 1.52 0.44 0.90 0.00 0.00 111 D 8.39 4.29 0.00 2.90 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 0.00 112 A 8.06 3.95 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 0.00 113 L 7.92 3.94 0.00 1.59 1.73 0.89 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 114 R 8.44 4.00 0.00 2.02 2.05 0.00 3.15 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 115 R 8.47 3.97 0.00 2.17 1.93 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 116 G 7.97 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 0.00 0.00 0.00 117 S 7.81 4.62 0.00 4.05 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 0.00 118 Q 7.93 4.18 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.