NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3647 8.3049 120.3477 55.5521 32.1208 174.3597 2 E 3.9732 7.5233 121.4691 56.6229 29.9381 175.4379 3 A 4.5475 8.9262 120.1552 50.0064 22.2808 174.0056 4 K 5.0667 8.7207 123.2806 54.7098 35.2241 175.0215 5 A 4.8504 8.7312 126.6908 50.3992 22.9271 174.9557 6 I 5.1176 8.2491 118.8610 59.4436 41.7390 174.5859 7 A 4.6966 8.9830 127.1289 50.3035 21.3342 175.6134 8 R 4.5195 8.5663 121.1216 54.4932 33.0735 175.2142 9 Y 3.6427 7.7415 115.2537 59.0935 35.6226 171.2589 10 V 3.5699 7.8703 119.7866 62.4491 32.6503 176.6870 11 R 4.5446 8.0246 129.4452 56.0073 29.3424 176.6071 12 I 4.6163 6.9327 116.7902 58.3389 41.6293 176.5881 13 S 4.3442 8.4978 119.5031 57.4053 63.5386 173.1449 14 P 4.2132 0.0000 0.0000 66.0410 30.9245 178.5194 15 R 3.8802 7.9495 115.4988 59.4645 29.8053 178.2868 16 K 4.1474 7.8370 117.7087 59.5146 32.2368 179.4769 17 V 3.6893 7.9081 118.4295 65.8304 31.3711 178.2581 18 R 3.9997 8.3162 118.3440 59.1357 29.6235 178.8983 19 L 4.0845 7.5097 117.4764 57.2107 41.7884 179.4031 20 V 3.8382 7.6894 118.4950 65.9487 31.5716 178.5831 21 V 3.7068 7.7455 111.4854 64.3744 31.1508 178.0935 22 D 4.4053 7.9409 118.1142 57.2450 40.6403 178.4492 23 L 4.1827 7.7909 119.2610 56.7779 41.9634 178.3957 24 I 4.2723 7.4914 111.4696 59.8439 38.3700 175.6659 25 R 4.0865 7.5903 121.5521 58.0079 30.1781 176.6220 26 G 4.1459 9.1146 113.5660 45.6046 0.0000 173.7911 27 K 4.4120 7.8740 119.6934 55.2616 33.3832 176.7143 28 S 4.7770 8.3112 115.8032 58.0941 65.0327 175.0290 29 L 3.9587 8.5873 124.6058 58.5625 41.6833 179.3111 30 E 3.9975 8.1410 118.0005 59.3998 29.4069 178.8149 31 E 3.9820 8.3030 119.1462 59.0485 29.7151 178.6575 32 A 4.0129 8.2468 121.0463 55.0900 18.5119 179.7649 33 R 3.8926 8.0261 116.6256 59.6465 30.2336 179.1118 34 N 4.5179 8.0602 116.2407 56.2204 38.6423 177.5945 35 I 3.7989 8.0729 121.4717 64.5515 37.0220 178.5486 36 L 4.0830 7.8578 118.4938 57.6020 41.4548 179.2337 37 R 3.9332 7.8106 118.0015 59.0049 30.1270 177.2997 38 Y 4.3527 7.7226 113.6380 57.5445 38.7921 175.6471 39 T 4.2599 7.4002 115.1734 61.7218 68.5450 174.5706 40 N 5.0492 8.5526 125.6938 52.9506 38.8813 174.7445 41 K 4.7038 7.2774 115.2158 54.1711 35.3530 176.9634 42 R 4.1009 8.3867 121.7080 57.7662 30.7511 177.0627 43 G 4.2540 9.3112 109.7081 45.6104 0.0000 175.3371 44 A 4.0145 7.9949 121.9745 55.5400 18.2270 178.9801 45 Y 3.9036 7.9089 117.2958 60.9351 38.9180 178.2574 46 F 3.9595 7.8655 118.1898 60.2814 39.0263 177.7805 47 V 3.5698 8.0025 117.9101 65.8457 31.2978 177.9497 48 A 3.8979 8.0987 120.7451 54.9053 18.1537 179.5549 49 K 3.6733 7.6704 118.1656 59.5648 32.2366 179.2972 50 V 3.5309 7.6335 118.5284 65.7844 31.3316 177.7264 51 L 3.8972 8.0606 120.2916 58.2724 41.8712 178.8956 52 E 3.9349 8.3489 118.5518 59.1239 29.3402 179.2797 53 S 4.0314 7.9924 113.3690 61.1710 62.4073 176.0397 54 A 3.9377 8.1591 123.3894 54.9870 18.1311 179.4788 55 A 3.8740 8.2731 119.3265 55.2285 18.3912 179.6654 56 A 3.9410 8.1651 119.4537 55.3691 18.4352 179.4116 57 N 4.2378 8.2745 115.3311 56.6073 38.9881 176.9879 58 A 3.9071 8.1527 122.3294 55.2264 18.2977 179.8152 59 V 3.8670 7.5237 116.6246 65.4441 31.7608 177.6737 60 N 4.5382 8.3818 115.4923 55.3544 38.5665 175.6970 61 N 4.7168 8.0118 115.9699 54.9279 40.1088 175.4840 62 H 4.5270 8.2826 111.5719 55.2344 29.0693 174.5648 63 D 4.3745 8.0156 117.4187 55.0463 38.1083 173.5558 64 A 4.5054 7.9289 120.4531 51.3043 19.9642 177.3830 65 L 4.7442 8.8568 120.7184 53.2300 42.6734 177.8056 66 E 3.9064 8.9916 125.0142 59.5241 29.6133 178.3710 67 D 4.4965 8.1033 116.3967 56.2289 41.2498 176.6160 68 R 4.6032 8.0751 117.2899 55.8060 32.0946 176.2086 69 L 4.9106 7.8213 121.1367 55.0149 43.0271 175.7111 70 Y 5.1754 8.8161 119.7014 55.4940 42.3147 174.7133 71 V 3.6017 8.9243 121.5838 62.2309 30.9485 176.5527 72 K 3.8044 8.1285 128.1191 58.8405 32.5835 177.4983 73 A 4.8342 7.6613 118.9127 50.8536 22.9234 175.4603 74 A 4.8763 8.5066 121.1157 51.2458 22.1212 175.2469 75 Y 4.9078 8.2036 120.1775 55.9866 42.3407 173.8107 76 V 4.8818 8.4800 118.8449 61.2846 34.2830 174.1708 77 D 5.1769 9.0269 127.0265 52.3547 44.1951 175.3275 78 E 4.2730 8.8113 120.9321 56.6465 30.2689 176.8222 79 G 4.2099 8.2765 112.6768 43.1384 0.0000 171.2945 80 P 4.6557 0.0000 0.0000 62.9202 32.7301 176.2614 81 A 4.8708 8.3573 123.2581 50.8251 20.8699 176.4496 *85 V 4.7008 7.9562 117.6501 63.0594 31.7947 175.3595 86 L 4.6390 8.3534 127.0226 53.4217 42.6084 176.1698 87 P 4.5066 0.0000 0.0000 65.2757 31.5229 177.1109 88 R 4.6672 7.1779 115.0131 54.4890 34.1970 175.1268 89 A 4.1776 8.5480 123.3387 54.4277 18.8257 177.9776 90 R 4.5587 7.5497 112.3186 55.2542 34.1240 175.3984 91 G 3.9464 8.6225 105.4199 44.6464 0.0000 173.1816 92 R 3.9666 8.1775 118.2434 56.3114 30.5162 175.4764 93 A 4.7436 8.2838 125.7076 50.8284 21.9820 175.4242 94 D 4.9273 8.5412 119.6182 53.5275 42.3684 175.2237 95 I 4.3643 7.3339 117.0803 60.1812 40.6690 173.3477 96 I 4.2984 8.0161 125.3617 60.0477 38.3760 175.9737 97 K 4.1566 8.7725 127.6525 59.0919 32.5729 176.5877 98 K 4.5464 7.6769 116.2999 55.8223 37.1114 173.7560 99 R 4.8809 8.4663 120.6303 55.0565 33.7818 175.0847 100 T 4.6354 8.3858 114.5672 60.5895 71.8571 173.1395 101 S 4.9132 8.7396 114.4270 57.1802 67.0545 172.5474 102 H 5.2682 8.8712 117.9624 54.0070 31.5150 172.8581 103 I 4.7942 8.9395 123.5288 59.4085 40.7308 174.1334 104 T 4.9032 8.4019 125.4356 61.6214 71.8823 173.2467 105 V 4.7179 8.3761 124.3470 61.1265 35.4077 174.0153 106 I 4.9403 8.8122 128.1902 59.5769 40.1484 174.4924 107 L 4.9051 9.1256 127.4657 53.2530 44.5616 175.7933 108 G 4.5076 8.2236 107.7013 45.0854 0.0000 171.0787 109 E 5.0729 8.9444 119.3251 55.7467 30.7338 178.6140 110 K 4.3132 10.1210 117.8909 58.4141 36.6432 174.5766 111 H 3.6229 7.7538 117.2957 54.0108 29.4394 174.6551 112 G 4.0265 9.9989 108.1248 45.6522 0.0000 173.3674 113 K 4.2344 8.0806 118.4978 56.8973 32.0298 175.1498 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 4.36 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 2 E 7.52 3.97 0.00 2.00 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 0.00 2.31 2.44 0.00 3 A 8.93 4.55 1.04 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 0.00 0.00 4 K 8.72 5.07 0.00 1.69 1.62 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.24 1.45 7.81 5 A 8.73 4.85 1.18 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 0.00 0.00 6 I 8.25 5.12 1.79 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 1.17 0.63 0.87 0.00 0.00 7 A 8.98 4.70 1.18 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 0.00 0.00 8 R 8.57 4.52 0.00 1.38 0.76 0.00 3.21 0.00 0.00 2.84 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.43 0.00 9 Y 7.74 3.64 0.00 3.16 2.98 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 10 V 7.87 3.57 1.98 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 0.18 0.00 0.00 0.75 0.00 0.00 11 R 8.02 4.54 0.00 1.78 1.88 0.00 3.20 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 12 I 6.93 4.62 1.81 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 1.33 0.47 0.94 0.00 0.00 13 S 8.50 4.34 0.00 3.88 3.75 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 14 P 0.00 4.21 0.00 2.19 2.10 0.00 3.65 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 2.10 2.25 0.00 15 R 7.95 3.88 0.00 1.80 1.97 0.00 3.41 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 16 K 7.84 4.15 0.00 2.04 1.86 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.50 7.81 17 V 7.91 3.69 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 1.05 0.00 0.00 0.94 0.00 0.00 18 R 8.32 4.00 0.00 2.12 1.99 0.00 3.20 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 19 L 7.51 4.08 0.00 1.77 1.76 0.94 0.82 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 20 V 7.69 3.84 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 1.06 0.00 0.00 0.97 0.00 0.00 21 V 7.75 3.71 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 0.83 0.00 0.00 1.03 0.00 0.00 22 D 7.94 4.41 0.00 2.69 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 23 L 7.79 4.18 0.00 1.78 1.75 0.95 0.87 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 24 I 7.49 4.27 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.84 0.93 0.00 0.00 25 R 7.59 4.09 0.00 1.96 1.93 0.00 3.32 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 26 G 9.11 4.15 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 0.00 0.00 0.00 27 K 7.87 4.41 0.00 1.93 1.77 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.55 7.81 28 S 8.31 4.78 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 29 L 8.59 3.96 0.00 1.80 1.73 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.14 4.00 0.00 2.07 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 2.38 0.00 31 E 8.30 3.98 0.00 2.09 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 2.33 2.34 0.00 32 A 8.25 4.01 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 33 R 8.03 3.89 0.00 2.11 2.00 0.00 3.14 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 1.76 1.78 0.00 34 N 8.06 4.52 0.00 2.89 3.02 0.00 0.00 7.07 7.62 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 35 I 8.07 3.80 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.28 0.95 0.00 0.00 36 L 7.86 4.08 0.00 1.76 1.73 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.81 3.93 0.00 1.88 1.92 0.00 2.66 0.00 0.00 3.01 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.49 0.00 38 Y 7.72 4.35 0.00 3.07 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 39 T 7.40 4.26 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 1.29 0.00 0.00 40 N 8.55 5.05 0.00 2.75 2.78 0.00 0.00 6.83 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 41 K 7.28 4.70 0.00 1.88 1.70 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.39 7.81 42 R 8.39 4.10 0.00 1.85 1.94 0.00 3.20 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 43 G 9.31 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 0.00 0.00 0.00 0.00 44 A 7.99 4.01 1.41 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 0.00 0.00 0.00 45 Y 7.91 3.90 0.00 2.87 2.57 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 0.00 46 F 7.87 3.96 0.00 3.27 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 47 V 8.00 3.57 2.21 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 1.06 0.00 0.00 1.00 0.00 0.00 48 A 8.10 3.90 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 49 K 7.67 3.67 0.00 1.36 1.74 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.70 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.33 1.29 7.81 50 V 7.63 3.53 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 0.85 0.00 0.00 0.94 0.00 0.00 51 L 8.06 3.90 0.00 1.82 1.78 0.89 0.94 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 52 E 8.35 3.93 0.00 1.96 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 2.49 2.41 0.00 53 S 7.99 4.03 0.00 3.87 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 54 A 8.16 3.94 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 55 A 8.27 3.87 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 A 8.17 3.94 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 57 N 8.27 4.24 0.00 2.87 2.96 0.00 0.00 7.12 8.10 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 58 A 8.15 3.91 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 59 V 7.52 3.87 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 1.07 0.00 0.00 1.01 0.00 0.00 60 N 8.38 4.54 0.00 2.83 2.86 0.00 0.00 6.96 8.68 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 61 N 8.01 4.72 0.00 3.02 2.80 0.00 0.00 7.05 8.32 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 62 H 8.28 4.53 0.00 3.32 3.35 0.00 6.05 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 63 D 8.02 4.37 0.00 2.78 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 64 A 7.93 4.51 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 65 L 8.86 4.74 0.00 1.71 1.61 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.99 3.91 0.00 2.00 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 2.39 2.36 0.00 67 D 8.10 4.50 0.00 2.71 2.72 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 68 R 8.08 4.60 0.00 1.75 1.94 0.00 3.10 0.00 0.00 3.15 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 69 L 7.82 4.91 0.00 1.60 1.60 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.82 5.18 0.00 3.14 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 71 V 8.92 3.60 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 1.00 0.00 0.00 0.96 0.00 0.00 72 K 8.13 3.80 0.00 1.60 1.70 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 0.93 7.81 73 A 7.66 4.83 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 74 A 8.51 4.88 1.16 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 0.00 0.00 75 Y 8.20 4.91 0.00 2.99 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 76 V 8.48 4.88 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 0.84 0.00 0.00 0.94 0.00 0.00 77 D 9.03 5.18 0.00 2.68 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 78 E 8.81 4.27 0.00 1.85 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 2.30 2.32 0.00 79 G 8.28 4.21 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 80 P 0.00 4.66 0.00 2.16 2.04 0.00 3.83 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.28 0.00 81 A 8.36 4.87 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 *85 V 7.96 4.70 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 0.85 0.00 0.00 0.90 0.00 0.00 86 L 8.35 4.64 0.00 1.71 1.56 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.51 0.00 2.04 2.11 0.00 3.66 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 88 R 7.18 4.67 0.00 1.87 1.90 0.00 3.21 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 89 A 8.55 4.18 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 90 R 7.55 4.56 0.00 1.74 1.78 0.00 3.38 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 91 G 8.62 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 92 R 8.18 3.97 0.00 1.78 1.84 0.00 3.18 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 93 A 8.28 4.74 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 94 D 8.54 4.93 0.00 2.62 2.63 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 95 I 7.33 4.36 1.87 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 1.41 0.49 0.91 0.00 0.00 96 I 8.02 4.30 1.87 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 1.30 0.97 0.97 0.00 0.00 97 K 8.77 4.16 0.00 1.78 2.01 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.42 7.81 98 K 7.68 4.55 0.00 1.71 1.65 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.42 7.81 99 R 8.47 4.88 0.00 1.89 1.72 0.00 3.21 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.79 0.00 100 T 8.39 4.64 4.37 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 1.25 0.00 0.00 101 S 8.74 4.91 0.00 3.79 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 0.00 102 H 8.87 5.27 0.00 3.01 3.04 0.00 5.56 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.94 4.79 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.66 0.94 0.00 0.00 104 T 8.40 4.90 2.88 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 0.90 0.00 0.00 105 V 8.38 4.72 1.98 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 0.89 0.00 0.00 0.83 0.00 0.00 106 I 8.81 4.94 1.82 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 1.18 0.62 0.85 0.00 0.00 107 L 9.13 4.91 0.00 1.44 1.46 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.22 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.94 5.07 0.00 1.92 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 2.33 0.00 110 K 10.12 4.31 0.00 1.80 1.93 0.00 1.29 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.36 7.81 111 H 7.75 3.62 0.00 3.15 3.24 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 10.00 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 0.00 113 K 8.08 4.23 0.00 1.64 1.64 0.00 1.81 0.00 0.00 1.96 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.54 7.81 * Residues marked with a * may have inaccurate shift predictions.