NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8776 8.3544 108.0359 46.0528 0.0000 172.8476 *2 E 4.2479 8.4429 122.5015 55.7918 31.2407 174.3380 3 V 3.9530 8.4315 126.4586 62.1240 32.6305 175.2741 4 N 4.1332 8.3245 125.5125 53.8931 36.2565 175.6584 5 Q 4.1881 7.8067 118.2520 55.0894 30.1131 174.9538 6 P 4.1769 0.0000 0.0000 65.8933 31.4609 178.3647 7 D 4.3669 8.0548 117.0423 57.4639 40.7455 178.8533 8 I 3.8189 7.6031 119.7798 64.1843 37.2094 178.2673 9 V 3.3440 7.9122 119.0895 65.9426 31.2623 177.9449 10 A 3.8787 7.9997 120.3168 55.1369 18.2296 179.5353 11 Q 3.8154 7.9384 116.5279 59.2089 28.8343 179.4674 12 V 2.5471 7.1276 119.0283 65.4397 31.3975 177.9098 13 Q 3.8749 8.0102 117.9834 58.8928 28.5326 178.9191 14 A 3.9149 7.8132 121.3165 55.0809 18.4708 179.5411 15 A 3.9269 7.7149 119.2559 55.1962 18.3609 179.5822 16 F 4.2128 8.1055 119.5322 61.6021 39.4378 177.5786 17 V 3.3287 7.9092 117.6624 65.4524 31.2363 177.6399 18 E 3.9166 8.2067 119.5666 59.2843 29.4907 178.1164 19 Y 4.0179 8.1308 119.6542 60.7193 38.8155 177.8278 20 E 3.8501 8.1961 119.6667 59.1791 29.4182 179.2127 21 R 3.7684 8.0473 118.5265 59.3761 30.0675 178.2496 22 A 3.8744 7.9266 120.4287 55.1332 18.3031 179.3715 23 L 3.7116 7.9631 117.5673 58.1299 41.5326 180.0544 24 V 3.5717 7.7261 116.8370 65.7164 31.5670 176.9970 25 E 4.2041 8.3138 115.5891 55.2298 30.2085 175.5540 26 N 3.9385 7.6899 117.1024 54.4482 37.9051 175.4172 27 D 4.5878 7.9596 117.5454 52.6433 40.1984 175.2357 28 I 3.8056 8.0317 125.3024 63.9765 37.9027 177.5960 29 E 4.0654 8.3613 119.1540 59.5634 29.6642 179.7273 30 A 4.0873 7.8268 120.3231 52.5477 17.7833 179.0055 *32 N 4.8118 8.3177 119.0369 54.9044 40.6132 176.9762 33 A 4.0732 8.1614 120.2193 54.6979 18.6569 177.8449 34 L 4.8034 7.9361 112.7620 54.6483 43.3221 175.9922 35 F 4.8557 7.9359 122.4049 55.4593 41.1514 175.0352 36 W 4.4611 8.9103 135.0000 58.5563 31.0946 175.4830 37 H 5.0228 8.8521 126.7243 54.1225 29.1649 171.9918 38 T 4.4123 7.8297 112.0333 58.6035 72.3608 173.8304 39 P 4.3529 0.0000 0.0000 65.2366 31.4548 177.9431 40 E 4.1097 7.1432 115.4284 58.5179 29.8477 177.4431 41 T 4.2883 7.3096 116.2242 63.6704 70.0133 173.3998 42 V 4.7374 8.1794 121.9937 61.0123 35.0731 174.1073 43 R 4.9102 8.6967 127.1602 54.7819 33.3160 173.2330 44 Y 4.8718 8.7876 124.9341 56.8392 39.6231 175.7183 45 G 4.3983 8.4268 113.7440 44.0257 0.0000 172.8224 46 I 4.0042 8.6779 119.3728 64.0140 37.1142 177.1954 47 A 4.7729 7.7931 119.4896 51.0976 19.9875 174.7702 48 E 4.6675 7.6227 115.0006 56.4044 32.2648 173.8071 49 V 4.8613 8.0029 118.6019 61.3361 34.5972 174.4921 50 Q 4.5506 9.0222 125.8708 54.3623 32.7163 173.7564 51 H 4.9193 9.2030 120.5880 55.7003 31.2918 174.5452 52 G 3.8589 9.9174 112.0399 45.5740 0.0000 174.0617 53 G 3.8308 8.8041 109.7596 48.0744 0.0000 176.0446 54 E 4.0158 8.0208 119.7399 59.1695 29.5987 179.0376 55 A 4.0553 7.9437 120.3286 55.2083 18.4699 179.6442 56 I 3.7077 7.6282 117.7860 64.6731 36.6632 178.9394 57 R 3.9620 8.4161 119.0688 59.1445 29.6205 179.0531 58 A 4.0402 7.9895 119.9341 54.6470 18.6597 179.1158 59 W 4.2485 8.4295 126.9919 60.8395 30.5980 178.2859 60 R 3.2097 7.8228 116.5607 59.2572 29.5274 178.6661 61 E 4.0319 7.6780 116.6062 58.1508 29.4868 177.7778 62 R 4.4364 7.4438 112.6346 55.4874 31.0933 175.7690 63 C 4.2082 7.1549 113.1355 57.2834 30.4626 172.9744 64 E 4.0443 8.2971 120.5026 55.5748 29.6375 175.6352 65 P 4.4121 0.0000 0.0000 61.8619 32.2068 176.6981 66 V 3.8244 7.9326 113.1205 60.7496 32.2662 174.8397 67 P 4.4435 0.0000 0.0000 62.3236 31.8441 178.0667 68 K 3.9740 8.6775 121.8803 59.5605 32.1065 178.1180 69 S 4.4129 7.9660 110.3310 58.3789 63.1883 173.8961 70 R 4.2432 7.6943 122.3789 57.5041 30.3469 175.6098 71 K 4.6504 9.2868 126.9395 54.6736 35.4156 175.3258 72 L 4.9931 8.6530 126.9355 54.9703 43.0974 175.8625 73 H 4.8628 8.9720 117.8146 54.4766 33.4217 173.5453 74 R 3.9266 8.5048 118.3114 57.7081 27.4103 177.1075 75 T 4.3573 7.7232 113.0051 63.3847 69.9571 175.9751 76 V 4.2309 8.9632 127.0925 61.0367 34.0633 174.1557 77 V 4.6013 8.2792 128.0755 61.4206 33.1851 174.7386 78 T 4.7657 8.7245 124.6568 61.8253 71.4423 173.1372 79 T 4.8337 8.5221 116.1162 59.7502 72.3192 173.1734 80 F 5.0257 9.1414 122.0256 56.3133 41.9406 174.8766 81 G 3.8525 9.1140 114.7754 47.2713 0.0000 174.1412 82 T 4.4893 8.4769 110.3344 61.8741 70.0720 174.7773 83 D 4.3822 7.6741 119.9922 53.5837 43.3679 174.8822 84 F 5.9448 8.2084 115.6830 56.3798 43.8586 173.4717 85 A 5.2686 9.3616 121.4615 51.6033 23.1919 175.2557 86 T 5.2265 8.9918 109.4747 59.9078 72.1845 173.1441 87 V 4.6529 8.8762 123.7264 61.2475 34.0713 174.6904 88 S 5.0610 8.7759 123.7898 57.0723 65.8394 173.1835 89 T 4.9831 9.2408 118.5275 60.6548 71.3927 172.4402 90 E 5.2709 8.9105 125.2599 55.3747 32.4502 174.9275 91 F 5.6701 8.4602 115.1033 56.1812 41.6732 173.1863 92 T 5.1908 9.1332 110.7197 60.5194 72.6807 172.1442 93 S 5.1335 8.2564 115.1921 57.9041 65.4829 174.2516 94 D 4.5121 9.1477 119.3485 55.9066 40.7350 177.9283 95 A 4.2399 7.6744 121.5527 54.0630 18.7734 177.3567 96 T 4.6892 7.3962 108.8621 60.0633 70.2555 171.6037 97 P 4.5165 0.0000 0.0000 63.6568 31.9895 176.0583 98 L 4.5350 7.4333 119.1584 53.9659 43.2895 175.8231 99 L 4.2442 9.2198 124.6885 54.2403 43.6198 175.7061 100 G 3.2141 8.4431 113.6827 44.4042 0.0000 172.6470 101 R 5.2590 9.0332 121.1084 54.3240 34.3366 174.3825 102 Q 5.5249 9.2912 123.0187 53.7760 33.8738 173.1198 *104 Q 4.5100 8.4045 118.0543 56.0921 30.6214 174.5991 105 T 4.9988 8.6079 120.3509 61.8457 70.8606 173.7012 106 W 5.3680 9.6987 125.7420 55.0428 32.6453 174.5585 107 A 5.3089 9.5047 124.1361 50.7000 22.7594 175.3434 108 R 4.4156 7.9491 121.4344 53.7069 29.6298 175.7585 109 L 4.0947 8.2650 126.5557 56.6549 42.6200 177.4429 110 S 4.5643 7.3918 111.0186 56.1883 65.6560 173.2543 111 P 4.0705 0.0000 0.0000 65.7727 31.2213 178.0327 112 A 4.1463 7.9278 119.2885 55.2041 18.5282 178.4047 113 D 4.3563 8.2410 115.3608 55.3148 41.1977 178.0871 114 G 3.8511 7.7712 107.8124 44.3262 0.0000 171.8898 115 W 4.7310 8.7244 118.6226 56.5013 30.0267 175.8743 116 K 4.9875 9.2891 121.4324 54.6114 36.7236 175.5679 117 I 3.3240 7.7818 124.2846 61.0366 36.1957 177.0033 118 V 4.2181 8.5220 120.6734 61.9372 33.2730 175.7694 119 A 4.9995 7.2308 120.4927 50.8001 22.4966 175.0243 120 A 4.9559 8.8010 121.9037 50.6155 23.4197 174.6873 121 H 5.3971 8.8636 119.3202 54.5373 33.3206 172.1091 122 V 5.0450 9.2824 126.0502 61.3062 34.1748 174.5791 123 S 4.8687 9.4004 121.0039 57.1386 67.0020 172.5014 124 L 5.3043 8.5020 120.1080 53.0054 44.2281 175.8554 125 I 4.7328 8.8403 115.6076 58.1038 41.4621 176.3860 126 A 4.4921 8.5986 122.5724 50.8838 17.3286 175.9749 *128 P 4.1749 0.0000 0.0000 64.4392 31.6446 176.6931 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 0 G 8.35 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 0.00 0.00 0.00 *2 E 8.44 4.25 0.00 2.11 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 3 V 8.43 3.95 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 0.69 0.00 0.00 1.04 0.00 0.00 4 N 8.32 4.13 0.00 2.85 2.82 0.00 0.00 6.98 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 7.81 4.19 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.86 0.00 0.00 0.00 0.00 0.00 2.67 2.32 0.00 6 P 0.00 4.18 0.00 2.12 2.07 0.00 3.58 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 2.09 2.15 0.00 7 D 8.05 4.37 0.00 2.68 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 8 I 7.60 3.82 1.97 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 1.55 1.02 1.09 0.00 0.00 9 V 7.91 3.34 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 0.96 0.00 0.00 0.83 0.00 0.00 10 A 8.00 3.88 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 11 Q 7.94 3.82 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.46 2.61 0.00 12 V 7.13 2.55 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 0.04 0.00 0.00 -0.57 0.00 0.00 13 Q 8.01 3.87 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 14 A 7.81 3.91 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 15 A 7.71 3.93 1.06 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 16 F 8.11 4.21 0.00 2.68 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 17 V 7.91 3.33 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 0.90 0.00 0.00 1.07 0.00 0.00 18 E 8.21 3.92 0.00 2.16 2.27 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 2.39 2.47 0.00 19 Y 8.13 4.02 0.00 3.56 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 20 E 8.20 3.85 0.00 1.95 1.82 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 1.60 2.00 0.00 21 R 8.05 3.77 0.00 1.83 2.05 0.00 3.19 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 1.63 1.62 0.00 22 A 7.93 3.87 1.23 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 23 L 7.96 3.71 0.00 1.69 1.62 1.04 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.73 3.57 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 0.79 0.00 0.00 0.93 0.00 0.00 25 E 8.31 4.20 0.00 1.89 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 2.27 2.45 0.00 26 N 7.69 3.94 0.00 2.70 2.73 0.00 0.00 7.03 8.60 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 27 D 7.96 4.59 0.00 2.60 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 28 I 8.03 3.81 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.71 0.90 0.00 0.00 29 E 8.36 4.07 0.00 2.02 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 2.40 2.30 0.00 30 A 7.83 4.09 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 *32 N 8.32 4.81 0.00 2.96 2.95 0.00 0.00 6.89 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 33 A 8.16 4.07 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 0.00 0.00 34 L 7.94 4.80 0.00 2.14 1.97 1.28 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 35 F 7.94 4.86 0.00 3.16 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 36 W 8.91 4.46 0.00 3.22 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 37 H 8.85 5.02 0.00 3.17 3.18 0.00 5.94 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.83 4.41 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 0.49 0.00 0.00 39 P 0.00 4.35 0.00 1.95 2.07 0.00 3.45 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.98 0.00 40 E 7.14 4.11 0.00 1.64 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 2.44 2.33 0.00 41 T 7.31 4.29 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 1.72 0.00 0.00 42 V 8.18 4.74 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 0.30 0.00 0.00 0.97 0.00 0.00 43 R 8.70 4.91 0.00 1.83 1.64 0.00 2.82 0.00 0.00 2.91 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.56 0.00 44 Y 8.79 4.87 0.00 2.74 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 45 G 8.43 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 0.00 0.00 0.00 0.00 46 I 8.68 4.00 1.98 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.74 1.00 0.00 0.00 47 A 7.79 4.77 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 48 E 7.62 4.67 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 1.75 1.54 0.00 49 V 8.00 4.86 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 0.91 0.00 0.00 0.88 0.00 0.00 50 Q 9.02 4.55 0.00 1.90 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.52 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 51 H 9.20 4.92 0.00 2.96 3.18 0.00 5.86 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 9.92 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 0.00 0.00 0.00 0.00 53 G 8.80 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 54 E 8.02 4.02 0.00 2.09 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 2.40 1.94 0.00 55 A 7.94 4.06 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 I 7.63 3.71 1.91 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 1.34 0.64 0.54 0.00 0.00 57 R 8.42 3.96 0.00 1.87 1.98 0.00 3.02 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.82 0.00 58 A 7.99 4.04 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 59 W 8.43 4.25 0.00 3.45 3.49 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 60 R 7.82 3.21 0.00 1.90 1.81 0.00 3.31 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.98 0.00 61 E 7.68 4.03 0.00 2.07 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 2.52 2.42 0.00 62 R 7.44 4.44 0.00 1.83 1.93 0.00 3.08 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.45 0.00 63 C 7.15 4.21 0.00 2.65 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 0.00 0.00 0.00 0.00 64 E 8.30 4.04 0.00 1.99 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 2.31 2.28 0.00 65 P 0.00 4.41 0.00 1.99 1.90 0.00 3.64 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 66 V 7.93 3.82 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 0.66 0.00 0.00 0.90 0.00 0.00 67 P 0.00 4.44 0.00 2.22 2.00 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 68 K 8.68 3.97 0.00 1.72 1.88 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 69 S 7.97 4.41 0.00 4.01 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 70 R 7.69 4.24 0.00 1.99 1.94 0.00 3.07 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 1.66 1.62 0.00 71 K 9.29 4.65 0.00 1.84 1.63 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.22 1.38 7.81 72 L 8.65 4.99 0.00 1.64 1.71 1.15 1.26 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 73 H 8.97 4.86 0.00 3.04 3.15 0.00 5.77 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.50 3.93 0.00 2.07 1.98 0.00 3.21 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 75 T 7.72 4.36 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 0.99 0.00 0.00 76 V 8.96 4.23 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 0.89 0.00 0.00 0.91 0.00 0.00 77 V 8.28 4.60 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 0.56 0.00 0.00 0.59 0.00 0.00 78 T 8.72 4.77 4.14 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 0.80 0.00 0.00 79 T 8.52 4.83 4.19 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 0.99 0.00 0.00 80 F 9.14 5.03 0.00 3.16 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 81 G 9.11 3.85 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 0.00 0.00 0.00 82 T 8.48 4.49 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 1.25 0.00 0.00 83 D 7.67 4.38 0.00 1.58 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 0.00 0.00 0.00 0.00 84 F 8.21 5.94 0.00 3.42 2.94 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 85 A 9.36 5.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 8.99 5.23 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 1.37 0.00 0.00 87 V 8.88 4.65 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 -0.32 0.00 0.00 0.46 0.00 0.00 88 S 8.78 5.06 0.00 3.79 3.74 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 89 T 9.24 4.98 4.35 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 1.54 0.00 0.00 90 E 8.91 5.27 0.00 2.17 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 2.27 0.00 91 F 8.46 5.67 0.00 3.11 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 92 T 9.13 5.19 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 1.20 0.00 0.00 93 S 8.26 5.13 0.00 3.93 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 94 D 9.15 4.51 0.00 2.70 2.78 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 95 A 7.67 4.24 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 96 T 7.40 4.69 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 1.33 0.00 0.00 97 P 0.00 4.52 0.00 2.22 2.15 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 98 L 7.43 4.54 0.00 1.58 1.79 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 99 L 9.22 4.24 0.00 1.65 1.56 0.82 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 100 G 8.44 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.03 5.26 0.00 1.72 1.81 0.00 3.06 0.00 0.00 3.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 102 Q 9.29 5.52 0.00 2.38 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 *104 Q 8.40 4.51 0.00 2.33 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.67 0.00 0.00 0.00 0.00 0.00 2.29 2.54 0.00 105 T 8.61 5.00 4.16 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 1.25 0.00 0.00 106 W 9.70 5.37 0.00 3.34 3.31 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 0.00 107 A 9.50 5.31 1.20 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 0.00 108 R 7.95 4.42 0.00 0.67 0.96 0.00 2.78 0.00 0.00 2.75 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.53 0.00 109 L 8.27 4.09 0.00 1.61 1.66 0.44 0.65 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 0.00 110 S 7.39 4.56 0.00 3.91 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 0.00 111 P 0.00 4.07 0.00 2.01 2.10 0.00 3.62 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 112 A 7.93 4.15 1.28 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 0.00 0.00 113 D 8.24 4.36 0.00 2.79 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 0.00 114 G 7.77 3.85 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 0.00 0.00 0.00 115 W 8.72 4.73 0.00 3.47 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 0.00 116 K 9.29 4.99 0.00 1.63 1.59 0.00 1.76 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.54 7.81 117 I 7.78 3.32 0.56 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.09 0.00 0.00 118 V 8.52 4.22 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 -0.02 0.00 0.00 0.78 0.00 0.00 119 A 7.23 5.00 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 0.00 120 A 8.80 4.96 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 0.00 121 H 8.86 5.40 0.00 3.28 3.19 0.00 5.63 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 9.28 5.04 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 1.18 0.00 0.00 1.08 0.00 0.00 123 S 9.40 4.87 0.00 3.89 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 0.00 124 L 8.50 5.30 0.00 1.53 1.57 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 125 I 8.84 4.73 1.85 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 1.11 0.90 0.89 0.00 0.00 126 A 8.60 4.49 1.19 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 0.00 0.00 *128 P 0.00 4.17 0.00 2.20 2.07 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.94 0.00 * Residues marked with a * may have inaccurate shift predictions.