NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 G 3.9704 8.2133 109.7376 44.9208 0.0000 173.5730 9 P 4.0224 0.0000 0.0000 65.1851 31.0921 176.8880 10 A 3.8926 8.0941 119.3716 55.1644 18.7323 178.3320 11 Y 3.8824 8.0295 117.3422 61.0045 38.8404 178.3303 12 A 3.5935 8.0409 121.4074 54.8941 18.4409 179.8228 13 R 3.7302 7.8432 116.5621 59.4743 30.0899 179.3844 14 L 3.8572 7.8561 118.9029 57.3564 41.4187 179.2932 15 L 3.4717 7.6446 120.8116 57.8820 41.8851 178.5053 16 D 4.0435 7.7419 117.8525 57.3370 41.2516 178.4158 17 R 3.7968 7.8052 118.2565 59.0863 29.9613 178.9427 18 A 3.8880 8.0484 120.7417 55.1980 18.4430 179.9112 19 V 3.1944 7.6916 116.9366 66.0360 31.3058 178.2693 20 R 3.9311 7.5359 116.7690 59.3467 29.8797 178.8837 21 I 3.8516 7.5523 118.9086 64.5001 36.8740 178.5418 22 L 4.1472 8.2439 119.6017 57.3082 41.2892 179.2068 23 A 4.2019 8.4177 120.4345 54.5839 18.2685 179.6286 24 V 3.8057 7.4391 116.6785 64.5706 31.9575 175.7847 25 R 4.5059 6.7073 110.9052 55.3083 32.2372 173.7129 26 D 4.6982 8.8026 118.9790 54.7136 41.3544 175.9003 27 H 5.0965 8.6306 120.2072 53.2730 32.2518 174.3396 28 S 3.9180 7.7425 117.5588 57.5931 64.7322 175.1292 29 E 3.8403 8.8351 123.3752 59.7979 29.3481 179.2264 30 Q 3.9327 7.9180 117.3160 59.0190 28.6560 178.4905 31 E 3.9349 8.1246 119.5561 59.2069 29.3800 179.1685 32 L 3.8788 8.0878 120.4182 58.1616 42.1600 179.0210 33 R 3.8903 8.1550 118.2321 59.6437 30.2017 179.0614 34 R 3.8909 7.9479 117.4630 59.4121 29.7975 179.2079 35 K 4.0919 7.6812 117.0818 59.1020 32.2416 179.1627 36 L 4.1530 8.1206 118.5649 57.2426 41.5914 178.6644 37 A 4.2133 7.9957 119.3190 52.7220 19.1292 177.7391 38 A 4.0296 7.1151 119.7784 50.8534 18.9902 175.1922 39 P 4.0127 0.0000 0.0000 63.1289 30.8122 175.7329 *51 A 4.1585 8.1861 125.7078 52.0790 19.6063 175.5448 52 T 4.6402 8.5795 110.5294 59.4707 71.6704 175.5741 53 A 4.1562 8.7109 123.4326 55.5590 18.1867 179.3453 54 E 3.9382 8.3267 117.1337 59.5978 29.6750 178.6421 55 D 4.4014 7.9495 118.2256 57.6438 40.8786 178.1104 56 Y 4.1220 7.5731 116.9993 61.4888 37.8622 178.9886 57 E 4.0870 8.4304 119.1460 59.5430 29.5666 179.7097 58 R 4.0417 8.4294 118.3553 59.0874 30.0497 179.3406 59 V 3.7028 8.0093 118.0876 65.9731 31.5786 177.9369 60 I 3.7747 8.1059 119.5035 64.5984 36.9804 178.1451 61 A 4.1296 8.4365 121.5703 54.9982 18.2255 179.4257 62 W 4.1215 8.5767 126.8059 60.9533 30.8338 177.9972 63 C 4.5680 8.6623 116.7787 63.2511 27.5287 175.8713 64 H 4.4624 8.3783 119.1300 58.4205 28.1110 177.4653 65 E 3.8772 8.2171 119.9626 58.9704 29.4738 177.5852 66 H 4.4478 7.7517 113.2602 55.0316 29.0124 176.0281 67 G 3.8490 7.6195 108.9586 45.6012 0.0000 174.5218 68 Y 4.1750 7.9042 117.5041 59.3625 38.0049 175.8349 69 L 4.7344 7.3679 119.0067 52.8049 44.7654 175.2789 70 D 4.5009 8.0367 116.4944 52.9425 42.9354 176.0076 71 D 4.4592 8.5239 128.7263 56.8915 40.9887 178.6351 72 S 4.1762 8.1753 114.7367 61.4745 63.0625 176.4426 73 R 3.8803 8.4801 122.5938 58.8262 29.8254 178.0353 74 F 4.0455 8.5488 120.9407 61.4477 39.3242 177.5363 75 V 3.7322 8.5239 118.8923 64.7420 31.3096 177.9967 76 A 4.0190 8.0437 121.4940 55.1006 18.1974 179.8844 77 R 3.8463 7.9540 116.4920 59.1631 30.0017 179.1453 78 F 3.8359 8.1775 120.5125 61.1594 39.3884 177.0782 79 I 3.7501 8.1874 119.5179 64.4462 37.1130 177.9349 80 A 3.9417 7.8090 121.1688 55.3596 17.9492 179.6579 81 S 3.9238 7.7792 109.7727 61.7430 62.7122 176.3001 82 R 3.9696 7.8147 121.2042 59.0781 29.6162 179.2514 83 S 4.6906 8.2149 115.6383 61.1558 62.7792 176.8385 84 R 4.0538 7.7843 120.2259 58.2149 29.8037 178.0151 85 K 4.5051 7.5760 116.5319 55.8699 32.2002 176.9527 86 G 3.9069 8.0353 106.7333 46.2203 0.0000 173.2359 87 Y 4.4466 7.9259 115.9431 55.6628 40.4448 175.6686 88 G 3.3135 7.7787 112.1312 42.7194 0.0000 172.7733 89 P 3.6696 0.0000 0.0000 65.3209 30.7010 178.9157 90 A 3.9138 7.9170 119.7561 55.0306 18.2064 180.0082 91 R 3.8350 7.6447 116.1120 59.3093 30.2546 179.0055 92 I 3.7945 7.6207 119.5793 64.5083 37.1374 178.5780 93 R 3.9096 8.2911 119.2367 59.2823 29.8866 178.8639 94 Q 3.9187 7.7261 118.9640 59.3070 29.0924 178.1927 95 E 4.1180 8.3192 119.5826 59.5133 29.5823 179.4078 96 L 3.7710 8.3006 119.4006 57.5651 41.5549 179.0938 97 N 4.2484 8.2371 117.0713 56.7729 38.6871 176.7691 98 Q 3.9638 7.7685 118.3118 58.9986 28.9439 178.6105 99 K 4.1828 7.6546 116.2418 56.3004 32.1304 177.5906 100 G 3.8118 7.8351 107.4787 46.1962 0.0000 173.7328 101 I 3.9896 7.3882 120.7004 60.0148 37.9644 177.0985 102 S 4.2817 8.4678 120.2160 58.3203 64.8588 175.4170 103 R 3.8979 8.5374 123.1525 59.5232 29.8449 178.6269 104 E 3.9227 8.2206 117.7835 59.5613 29.5541 179.0317 105 A 4.0540 7.9943 120.5139 55.4665 18.3289 179.8986 106 T 3.8692 7.9185 114.1732 66.9130 68.6039 176.9654 107 E 3.9995 8.6277 120.9952 59.0439 29.3942 179.2281 108 K 3.9095 8.1678 119.5238 59.6469 32.3290 178.7694 109 A 4.0348 8.0686 120.9689 55.2188 18.0674 179.4111 110 M 4.1378 8.4758 117.7016 58.7781 31.8979 178.9778 111 R 3.9719 7.8981 117.2209 59.5755 30.3267 178.1192 112 E 4.1177 8.3299 117.4304 59.2326 29.4935 178.8565 113 A 4.0527 8.0769 120.2955 52.7348 18.9413 176.8014 114 D 4.3144 7.7296 115.2312 55.1830 40.3251 173.6966 115 I 3.7240 7.3995 117.3787 60.6465 38.2033 177.5500 116 D 4.5361 8.0190 124.5438 53.0792 39.1897 176.4998 117 W 4.3693 8.1618 124.7172 59.1469 29.4964 177.4154 118 A 4.0940 8.1815 120.2704 55.0873 17.8919 179.3963 119 A 3.9175 7.9689 119.0714 55.1001 18.4599 179.9306 120 L 3.8974 7.9390 117.4124 57.6795 41.7140 179.3938 121 A 2.8964 7.8719 121.0098 54.8503 18.1424 179.5510 122 R 3.5831 7.7408 117.0311 59.5444 30.1441 178.1117 123 D 4.2512 8.0083 117.6810 57.5498 41.2565 178.3155 124 Q 4.0723 8.2080 118.2866 58.7880 28.6605 178.7046 125 A 4.2560 8.1683 122.1324 55.5089 18.4072 179.8680 126 T 4.2370 7.9767 109.8234 64.4697 68.5661 176.9833 127 R 3.8219 7.7220 120.0800 58.6781 30.1284 178.2926 128 K 3.8122 7.5867 117.5924 57.8679 32.4509 177.2633 129 Y 4.6336 8.3388 113.9001 56.3123 39.3810 176.5490 130 G 4.0324 8.6982 106.2008 45.2225 0.0000 172.0848 131 E 4.6970 8.0399 118.1723 53.2965 32.3904 173.5402 132 P 4.4270 0.0000 0.0000 62.1662 32.1176 176.2866 133 L 4.3254 8.1838 120.7985 54.0554 42.1913 175.6408 134 P 4.4781 0.0000 0.0000 63.4653 31.7215 176.4290 135 T 4.5439 8.2946 109.4091 60.9155 70.7623 175.4701 136 V 3.7370 7.6591 123.0968 61.6861 33.1017 176.3489 137 F 3.8283 8.8375 123.5977 61.6990 39.4333 177.7548 138 S 4.2331 8.2073 113.2150 61.4873 62.7866 176.0955 139 E 4.0344 8.0641 121.7472 58.8423 29.3484 178.7157 140 K 3.8239 8.0039 119.8418 59.4834 32.1125 178.9493 141 V 3.6702 7.3029 119.7388 65.3025 31.3596 178.2285 142 K 3.9857 7.5826 116.8973 59.4019 31.8708 179.4234 143 I 3.3579 7.6433 120.0835 64.3973 37.0491 178.4893 144 Q 4.1756 8.6077 119.3422 58.8892 28.4266 178.8933 145 R 4.0694 8.1282 119.7117 59.3632 30.1768 178.1387 146 F 4.2492 8.4203 120.4294 61.6330 39.4161 177.1390 147 L 3.9690 8.1944 118.4052 57.7157 41.3824 179.5531 148 L 4.2627 8.4245 119.2910 58.1602 41.3699 179.1854 149 Y 3.9042 8.4164 115.9534 60.9822 38.0664 178.4732 150 R 4.0370 8.0194 118.5127 57.3636 29.9905 178.1368 151 G 3.8497 7.8729 107.3413 45.0041 0.0000 173.1926 152 Y 4.3613 7.6040 118.0843 57.6093 38.7583 175.4489 153 L 4.3449 8.8403 123.3181 54.2200 43.0324 177.9318 154 M 4.0843 8.8306 121.2720 59.0754 31.6089 179.0516 155 E 4.0146 8.1460 116.9077 59.4972 29.7350 178.6572 156 D 4.5874 7.9596 118.1861 57.4380 41.2185 178.4308 157 I 4.0512 7.6504 119.8180 63.6126 37.2242 177.9682 158 Q 4.1521 8.2849 117.4993 58.7190 27.2377 177.1012 159 D 4.9256 8.0111 116.1331 53.7520 41.5058 177.9105 160 I 3.7276 7.7333 114.2470 62.9293 37.7651 176.2192 161 W 4.2993 7.6168 122.8133 56.7796 28.9453 175.8895 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 8 G 8.21 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 0.00 0.00 0.00 9 P 0.00 4.02 0.00 2.23 2.10 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.20 0.00 10 A 8.09 3.89 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 11 Y 8.03 3.88 0.00 3.08 3.20 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 12 A 8.04 3.59 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 13 R 7.84 3.73 0.00 1.93 1.88 0.00 3.07 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.82 0.00 14 L 7.86 3.86 0.00 1.57 1.44 -0.03 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.64 3.47 0.00 0.80 1.15 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.74 4.04 0.00 2.64 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 17 R 7.81 3.80 0.00 1.96 1.89 0.00 3.14 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 18 A 8.05 3.89 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 19 V 7.69 3.19 1.76 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 0.53 0.00 0.00 0.51 0.00 0.00 20 R 7.54 3.93 0.00 1.97 1.95 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 21 I 7.55 3.85 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 1.49 0.87 0.72 0.00 0.00 22 L 8.24 4.15 0.00 1.75 1.97 1.02 1.15 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 23 A 8.42 4.20 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.44 3.81 2.34 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 0.94 0.00 0.00 1.04 0.00 0.00 25 R 6.71 4.51 0.00 1.84 1.91 0.00 3.18 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 26 D 8.80 4.70 0.00 2.86 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 27 H 8.63 5.10 0.00 3.03 3.10 0.00 5.90 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.74 3.92 0.00 3.64 2.92 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 29 E 8.84 3.84 0.00 2.08 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 2.31 2.40 0.00 30 Q 7.92 3.93 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.67 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 31 E 8.12 3.93 0.00 2.14 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 2.26 2.16 0.00 32 L 8.09 3.88 0.00 1.75 1.84 0.94 0.95 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 33 R 8.15 3.89 0.00 1.97 1.91 0.00 3.33 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 34 R 7.95 3.89 0.00 2.00 1.97 0.00 3.08 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 35 K 7.68 4.09 0.00 1.78 1.85 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.60 7.81 36 L 8.12 4.15 0.00 1.82 1.93 1.05 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.00 4.21 1.26 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 38 A 7.12 4.03 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 39 P 0.00 4.01 0.00 2.18 2.14 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 *51 A 8.19 4.16 1.09 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 52 T 8.58 4.64 4.28 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 1.23 0.00 0.00 53 A 8.71 4.16 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 54 E 8.33 3.94 0.00 2.07 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 2.39 2.43 0.00 55 D 7.95 4.40 0.00 2.78 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 56 Y 7.57 4.12 0.00 3.22 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 57 E 8.43 4.09 0.00 2.07 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 2.60 2.55 0.00 58 R 8.43 4.04 0.00 2.17 2.06 0.00 3.18 0.00 0.00 3.02 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 59 V 8.01 3.70 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 0.96 0.00 0.00 0.67 0.00 0.00 60 I 8.11 3.77 2.15 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.08 1.03 0.00 0.00 61 A 8.44 4.13 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 62 W 8.58 4.12 0.00 3.72 3.45 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 63 C 8.66 4.57 0.00 3.34 3.14 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 64 H 8.38 4.46 0.00 3.37 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.22 3.88 0.00 1.87 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 1.91 2.19 0.00 66 H 7.75 4.45 0.00 2.33 2.92 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.62 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 68 Y 7.90 4.17 0.00 3.16 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 69 L 7.37 4.73 0.00 1.36 1.25 0.85 0.93 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 70 D 8.04 4.50 0.00 2.68 2.55 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 0.00 0.00 0.00 71 D 8.52 4.46 0.00 2.85 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 72 S 8.18 4.18 0.00 4.08 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 0.00 73 R 8.48 3.88 0.00 1.95 2.22 0.00 3.12 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 74 F 8.55 4.05 0.00 3.16 3.26 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 75 V 8.52 3.73 2.24 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 0.99 0.00 0.00 1.04 0.00 0.00 76 A 8.04 4.02 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 77 R 7.95 3.85 0.00 1.91 1.90 0.00 3.22 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 1.62 1.79 0.00 78 F 8.18 3.84 0.00 2.73 3.06 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 79 I 8.19 3.75 1.98 0.00 0.00 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 1.65 0.82 1.16 0.00 0.00 80 A 7.81 3.94 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 81 S 7.78 3.92 0.00 3.76 3.73 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 82 R 7.81 3.97 0.00 1.63 1.82 0.00 2.95 0.00 0.00 2.56 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.68 0.00 83 S 8.21 4.69 0.00 3.96 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 0.00 84 R 7.78 4.05 0.00 1.99 2.02 0.00 3.12 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 85 K 7.58 4.51 0.00 1.98 2.03 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.47 7.81 86 G 8.04 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 87 Y 7.93 4.45 0.00 3.16 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 88 G 7.78 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 0.00 0.00 0.00 89 P 0.00 3.67 0.00 1.73 1.54 0.00 3.18 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.44 0.00 90 A 7.92 3.91 1.21 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 91 R 7.64 3.83 0.00 1.92 1.91 0.00 3.24 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 92 I 7.62 3.79 1.79 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 1.50 0.76 1.08 0.00 0.00 93 R 8.29 3.91 0.00 1.75 1.95 0.00 3.03 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 94 Q 7.73 3.92 0.00 2.05 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 2.32 2.36 0.00 95 E 8.32 4.12 0.00 2.39 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 2.34 2.49 0.00 96 L 8.30 3.77 0.00 1.79 1.67 1.07 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 97 N 8.24 4.25 0.00 2.92 2.90 0.00 0.00 7.17 6.71 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 98 Q 7.77 3.96 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 99 K 7.65 4.18 0.00 1.71 1.63 0.00 1.21 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.38 1.47 7.81 100 G 7.84 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 0.00 101 I 7.39 3.99 1.95 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.92 0.95 0.00 0.00 102 S 8.47 4.28 0.00 4.04 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 0.00 103 R 8.54 3.90 0.00 1.89 1.97 0.00 3.18 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 104 E 8.22 3.92 0.00 2.05 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 2.41 2.39 0.00 105 A 7.99 4.05 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 0.00 106 T 7.92 3.87 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 107 E 8.63 4.00 0.00 2.00 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 2.55 2.46 0.00 108 K 8.17 3.91 0.00 1.92 1.98 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.48 7.81 109 A 8.07 4.03 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 0.00 110 M 8.48 4.14 0.00 2.14 2.38 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.91 0.00 111 R 7.90 3.97 0.00 1.93 2.16 0.00 3.34 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 112 E 8.33 4.12 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 2.36 2.45 0.00 113 A 8.08 4.05 1.40 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 0.00 114 D 7.73 4.31 0.00 2.73 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 0.00 115 I 7.40 3.72 0.79 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.57 -0.34 0.00 0.00 116 D 8.02 4.54 0.00 2.62 2.46 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 0.00 117 W 8.16 4.37 0.00 3.73 3.56 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 0.00 118 A 8.18 4.09 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 0.00 119 A 7.97 3.92 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 0.00 120 L 7.94 3.90 0.00 1.90 1.86 0.77 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 121 A 7.87 2.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 R 7.74 3.58 0.00 1.72 1.94 0.00 3.05 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.42 0.00 123 D 8.01 4.25 0.00 2.86 2.81 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 0.00 124 Q 8.21 4.07 0.00 2.31 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.64 2.70 0.00 125 A 8.17 4.26 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 0.00 126 T 7.98 4.24 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 1.21 0.00 0.00 127 R 7.72 3.82 0.00 1.98 1.99 0.00 3.17 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.94 0.00 128 K 7.59 3.81 0.00 1.21 0.85 0.00 0.74 0.00 0.00 0.61 0.00 0.00 2.51 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.30 0.78 7.81 129 Y 8.34 4.63 0.00 3.01 2.92 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 0.00 130 G 8.70 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 0.00 0.00 0.00 131 E 8.04 4.70 0.00 1.84 1.76 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 2.16 2.27 0.00 132 P 0.00 4.43 0.00 2.11 1.99 0.00 3.75 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 2.04 2.11 0.00 133 L 8.18 4.33 0.00 1.55 1.64 0.18 1.01 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 0.00 134 P 0.00 4.48 0.00 2.10 2.28 0.00 3.71 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 2.11 2.17 0.00 135 T 8.29 4.54 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 1.48 0.00 0.00 136 V 7.66 3.74 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 0.83 0.00 0.00 0.96 0.00 0.00 137 F 8.84 3.83 0.00 3.11 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 0.00 138 S 8.21 4.23 0.00 4.12 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 0.00 139 E 8.06 4.03 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 2.40 2.37 0.00 140 K 8.00 3.82 0.00 1.33 1.43 0.00 0.61 0.00 0.00 0.79 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.65 0.21 7.81 141 V 7.30 3.67 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 1.06 0.00 0.00 0.48 0.00 0.00 142 K 7.58 3.99 0.00 1.96 1.81 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.61 7.81 143 I 7.64 3.36 2.16 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 -0.28 -0.09 0.85 0.00 0.00 144 Q 8.61 4.18 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.58 2.65 0.00 145 R 8.13 4.07 0.00 1.96 2.09 0.00 3.01 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.53 0.00 146 F 8.42 4.25 0.00 3.25 3.48 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 0.00 147 L 8.19 3.97 0.00 2.00 1.82 0.86 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 148 L 8.42 4.26 0.00 2.04 1.81 1.01 1.27 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 0.00 149 Y 8.42 3.90 0.00 3.11 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 0.00 150 R 8.02 4.04 0.00 1.85 1.76 0.00 2.66 0.00 0.00 2.91 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.04 0.00 151 G 7.87 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 0.00 152 Y 7.60 4.36 0.00 3.28 2.90 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 0.00 0.00 0.00 153 L 8.84 4.34 0.00 1.73 1.72 0.86 0.66 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 0.00 154 M 8.83 4.08 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.63 0.00 155 E 8.15 4.01 0.00 1.95 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 2.34 2.49 0.00 156 D 7.96 4.59 0.00 3.06 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 0.00 157 I 7.65 4.05 2.10 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 1.74 0.88 1.12 0.00 0.00 158 Q 8.28 4.15 0.00 2.22 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.87 0.00 0.00 0.00 0.00 0.00 2.54 2.41 0.00 159 D 8.01 4.93 0.00 2.83 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 0.00 160 I 7.73 3.73 1.50 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 -0.36 0.77 0.00 0.00 161 W 7.62 4.30 0.00 3.44 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 * Residues marked with a * may have inaccurate shift predictions.