NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.9366 8.1316 120.4116 55.0017 41.8974 173.9993 8 H 4.8362 8.3198 119.9753 53.5893 32.0824 172.1804 9 K 4.5419 9.2740 126.1297 56.3053 33.7388 175.6415 10 E 4.8947 8.6007 121.3885 54.1602 34.2744 173.3807 11 P 5.0539 0.0000 0.0000 63.2551 32.5965 175.1577 12 A 4.8798 8.2164 120.6217 51.4388 22.7181 175.7877 13 T 4.5927 8.4362 117.6492 61.4415 70.8519 174.3962 14 L 4.3283 8.6238 127.8459 55.8782 42.5945 175.4086 15 I 4.4622 8.0723 122.6600 61.6614 39.6730 175.6833 16 K 4.3567 7.8063 118.5912 55.6997 36.1697 173.5998 17 A 4.6578 8.8340 130.0246 51.7703 19.5999 177.0350 18 I 4.2582 8.3463 122.8667 62.5716 38.9928 174.8761 19 D 4.5592 7.4381 117.2426 53.3025 43.7613 175.5229 20 G 3.7967 8.7872 108.6459 47.4043 0.0000 174.0439 21 D 4.8249 8.0704 117.0332 53.1905 40.3906 175.4137 22 T 5.2446 7.6877 116.1133 62.1287 72.7387 172.9475 23 V 4.6446 8.8044 125.8153 60.8578 35.3294 173.9917 24 K 4.8998 9.2788 129.8561 55.7426 33.3519 175.4147 25 L 5.2929 9.7788 127.2422 53.2833 46.3919 175.6542 26 M 4.8136 9.3884 121.8732 54.6745 32.9360 173.4754 27 Y 4.8463 9.1451 128.2003 55.6692 40.9254 175.7201 28 K 3.3678 9.3540 127.7462 57.5561 29.5074 176.7330 29 G 4.0051 8.5252 105.6128 45.4614 0.0000 173.8561 30 Q 4.7154 7.6364 118.8426 52.9715 31.6318 173.1324 31 P 4.8738 0.0000 0.0000 63.2587 32.1359 175.7728 32 M 4.8234 9.7838 123.0473 54.1482 37.0191 173.8702 33 T 4.9376 8.3115 119.0239 61.9988 71.2105 173.3495 34 F 5.2710 9.5348 125.2029 55.6652 42.3617 174.2937 35 R 5.0644 9.1507 123.4942 54.4586 32.0670 175.2500 36 L 4.6717 8.5010 127.0999 54.7173 41.9933 177.1091 37 L 3.9386 8.4059 124.2145 55.0816 43.0689 177.3789 38 L 4.0742 8.6944 120.1799 55.5607 39.4021 174.1009 39 V 5.0633 7.3093 109.7253 59.8415 35.5280 174.6504 40 D 5.0095 9.5381 123.9208 52.8349 43.5653 174.9339 41 T 4.7459 8.4440 114.3342 58.8510 70.6952 173.0578 42 P 4.5365 0.0000 0.0000 63.0929 32.2540 175.0036 43 E 4.8584 9.5079 120.0677 54.8361 32.4749 177.3037 44 T 4.3563 8.4805 111.3924 63.1555 69.9030 175.5181 45 K 4.5823 7.6326 121.0902 55.5174 32.3762 176.0156 46 H 4.5770 8.6616 120.4697 54.7245 31.0408 173.4998 47 P 4.2152 0.0000 0.0000 65.5882 30.9443 177.0938 48 K 4.3864 8.1076 115.7951 57.0793 33.4636 177.6712 49 K 4.1701 8.3301 117.0158 56.8400 34.2209 178.5409 50 G 3.8489 8.5441 107.1822 45.2495 0.0000 175.5728 51 V 4.6440 8.6584 123.4987 61.4134 32.5826 174.0006 52 E 4.5380 9.2358 128.1395 54.7377 31.8124 175.6154 53 K 4.1634 8.3430 123.0458 57.9607 32.6759 176.8583 54 Y 4.6044 8.1951 122.6027 59.3652 36.2335 171.4671 55 G 3.6156 8.1421 107.7922 47.3378 0.0000 174.3139 56 P 4.3220 0.0000 0.0000 64.9845 31.3390 178.5659 57 E 4.0065 8.2410 116.8017 59.5345 29.4523 179.1223 58 A 4.0641 8.3295 120.9299 55.0725 18.4289 179.6074 59 S 4.1103 8.3577 111.4829 61.6068 62.4525 176.2443 60 A 4.0378 8.5311 123.8852 55.0030 17.9856 179.3526 61 F 3.8404 8.5857 119.3297 61.7229 39.3474 177.3598 62 T 3.9628 8.3935 115.5799 66.5826 68.2778 176.1321 63 K 3.8811 8.0740 121.3188 59.6303 32.1981 178.5315 64 K 3.8395 8.1715 119.7016 59.7125 31.9118 178.3484 65 M 3.8634 7.8031 117.7434 58.4832 31.9239 178.1226 66 V 3.8463 8.3004 119.4879 64.4184 31.7415 178.1672 67 E 4.0361 8.5199 118.3697 58.3184 29.5357 177.1658 68 N 4.6927 7.7675 113.6125 52.7477 38.9308 174.8453 69 A 5.1696 7.2459 120.7299 50.9603 19.6267 178.1570 70 K 4.2234 8.9599 120.4209 57.8339 33.0316 177.8346 71 K 4.6224 8.0684 117.7975 54.6184 35.4667 175.5885 72 I 5.0866 8.3866 125.3522 59.8641 40.2703 174.5277 73 E 4.9410 9.0248 123.2051 55.0046 34.5934 174.6094 74 V 4.6519 8.7085 115.5285 59.4112 35.2908 174.3110 75 E 4.9086 8.8417 124.6090 54.4512 32.6701 174.4421 76 F 5.2540 8.5639 124.5545 55.5569 42.0529 174.7277 77 D 4.7584 8.7792 121.8168 53.8659 41.6882 176.8032 78 K 4.2548 8.8865 125.1530 58.8019 34.2097 177.8545 79 G 3.5724 8.6048 108.5722 46.1285 0.0000 175.2810 80 Q 4.0914 9.0929 115.0375 56.3187 30.0149 177.1802 81 R 4.5964 8.5564 119.5383 56.2679 32.2181 174.4501 82 T 5.0690 7.6527 111.7903 62.0665 72.6436 171.8536 83 D 5.0313 8.3761 122.7437 50.8395 42.0543 177.0952 84 K 3.8756 8.3540 117.3934 59.2271 32.3701 177.1164 85 Y 4.3667 7.9704 115.7712 58.0177 38.2337 176.2629 86 G 3.9724 8.2072 109.2481 44.8017 0.0000 174.1872 87 R 4.1428 7.9753 119.6630 55.9400 31.2797 176.8095 88 G 3.8758 8.6476 111.0275 45.9843 0.0000 172.1886 89 L 5.4522 8.3763 120.8880 52.8422 43.8876 175.9906 90 A 4.4591 8.7791 123.8394 51.1038 23.5480 174.7641 91 Y 4.5481 8.6792 118.3238 57.3434 39.0929 174.9131 92 I 4.7409 8.4291 126.0544 60.0130 39.5985 174.6408 93 Y 5.0602 9.3958 123.6865 56.1474 41.3779 174.8339 94 A 4.7386 9.0903 125.1900 49.9200 21.2882 175.9454 95 D 4.1968 9.6376 125.0421 56.3898 38.7126 176.5110 96 G 4.0580 8.4008 106.5455 45.3300 0.0000 173.4980 97 K 4.4282 7.6516 120.1157 55.0288 33.3423 175.5453 98 M 3.9627 8.3845 123.6293 55.0057 33.1292 176.9996 99 V 3.6178 8.7040 127.1652 66.0050 31.8127 177.5998 100 N 4.2604 8.0287 115.8206 56.5966 38.4160 176.8325 101 E 3.9212 8.0515 119.6760 58.8778 29.6588 178.3573 102 A 4.0030 8.2657 121.2625 55.1549 18.4301 179.5283 103 L 3.3195 7.9415 117.4459 57.7823 41.7234 179.9266 104 V 3.9167 7.3928 118.8667 65.5386 31.2226 177.9740 105 R 3.8895 7.8914 117.3253 59.1818 29.9449 177.5168 106 Q 4.3072 7.4154 115.2545 54.9674 28.8402 175.9550 107 G 3.7514 7.6522 107.7847 46.7858 0.0000 174.4601 108 L 4.5532 7.7157 117.0486 53.8526 42.4767 176.3273 109 A 4.6457 7.3727 119.0259 51.0201 22.5094 175.7215 110 K 4.6778 8.6958 119.9028 54.3991 35.4338 175.8912 111 V 4.2666 8.2449 122.7024 62.3822 32.0305 175.7876 112 A 4.4825 8.3167 129.9322 51.5224 19.1662 176.6569 113 Y 3.8248 8.5268 121.3415 57.8288 39.6181 175.3840 *120 T 4.2507 7.9804 121.5863 64.3285 69.7882 173.6724 121 H 4.8232 8.1792 117.6388 55.8873 29.1477 176.8270 122 E 3.9153 7.9398 124.3431 59.4673 29.6368 178.6306 123 Q 3.9538 7.9694 117.5674 59.2192 28.7369 178.1496 124 H 4.2135 8.1788 118.5506 59.4756 29.9529 177.0709 125 L 3.9519 8.1452 120.8153 57.9292 41.3789 179.8200 126 R 3.9582 8.3715 118.2590 58.6226 30.0732 178.8664 127 K 3.8657 7.9029 119.2867 59.8294 32.1549 179.0975 128 S 4.1629 7.8748 115.1073 61.4464 62.6637 176.2469 129 E 3.9699 8.4577 122.0054 59.2138 29.3430 178.7667 130 A 3.8029 8.3777 121.2571 55.1489 18.4388 179.6427 131 Q 3.8849 7.8967 115.9336 58.9353 28.6390 178.8909 132 A 4.0575 8.2511 122.0012 55.0547 18.4754 179.6988 133 K 3.2308 7.8856 117.3668 59.3843 31.8307 179.3656 134 K 3.8578 7.7134 118.2608 59.4156 32.1976 177.8630 135 E 4.2286 8.1017 115.8333 55.8769 29.8318 176.6848 136 K 4.3615 7.9476 117.5779 57.1446 30.2810 175.4568 137 L 4.2458 7.9797 118.9797 56.1130 43.7177 178.9415 138 N 3.7986 9.4446 118.0085 54.4433 38.7128 175.8649 139 I 3.5527 8.5250 122.7636 63.3126 38.6169 177.5766 140 W 5.0060 8.2778 121.2028 56.5596 29.2226 176.3891 141 S 4.8991 8.0045 120.4704 58.5257 62.1476 174.1545 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 7 L 8.13 4.94 0.00 1.60 1.99 1.06 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.32 4.84 0.00 3.25 3.28 0.00 5.74 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.27 4.54 0.00 1.50 1.53 0.00 1.43 0.00 0.00 1.06 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.08 1.21 7.81 10 E 8.60 4.89 0.00 2.08 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 2.29 2.76 0.00 11 P 0.00 5.05 0.00 2.09 2.06 0.00 3.86 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 2.01 1.98 0.00 12 A 8.22 4.88 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 13 T 8.44 4.59 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 1.24 0.00 0.00 14 L 8.62 4.33 0.00 1.67 1.58 0.93 1.07 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 15 I 8.07 4.46 2.10 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.85 0.95 0.00 0.00 16 K 7.81 4.36 0.00 1.84 1.60 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.26 1.31 7.81 17 A 8.83 4.66 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 18 I 8.35 4.26 2.02 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 1.19 0.70 0.91 0.00 0.00 19 D 7.44 4.56 0.00 2.63 2.66 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 0.00 0.00 0.00 0.00 20 G 8.79 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.07 4.82 0.00 2.90 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 22 T 7.69 5.24 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 1.23 0.00 0.00 23 V 8.80 4.64 2.14 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 0.88 0.00 0.00 0.96 0.00 0.00 24 K 9.28 4.90 0.00 1.88 1.87 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.60 7.81 25 L 9.78 5.29 0.00 1.88 1.62 0.49 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.39 4.81 0.00 2.15 2.04 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 2.58 2.55 0.00 27 Y 9.15 4.85 0.00 3.39 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 28 K 9.35 3.37 0.00 1.44 1.63 0.00 1.34 0.00 0.00 1.49 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.99 0.27 7.81 29 G 8.53 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.64 4.72 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 31 P 0.00 4.87 0.00 1.97 2.03 0.00 3.68 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 2.06 2.16 0.00 32 M 9.78 4.82 0.00 1.52 2.18 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.67 0.00 33 T 8.31 4.94 4.18 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 1.22 0.00 0.00 34 F 9.53 5.27 0.00 2.93 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 35 R 9.15 5.06 0.00 1.90 1.92 0.00 3.33 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 36 L 8.50 4.67 0.00 1.58 1.59 0.93 0.92 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 37 L 8.41 3.94 0.00 0.88 1.12 0.41 0.34 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 38 L 8.69 4.07 0.00 1.99 1.80 1.10 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.31 5.06 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 0.73 0.00 0.00 0.93 0.00 0.00 40 D 9.54 5.01 0.00 2.52 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 41 T 8.44 4.75 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 1.21 0.00 0.00 42 P 0.00 4.54 0.00 2.46 2.30 0.00 3.82 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 2.12 2.06 0.00 43 E 9.51 4.86 0.00 2.01 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 2.22 2.45 0.00 44 T 8.48 4.36 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 1.26 0.00 0.00 45 K 7.63 4.58 0.00 1.89 1.77 0.00 1.84 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.33 7.81 46 H 8.66 4.58 0.00 3.17 3.33 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.22 0.00 2.18 2.12 0.00 3.51 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.87 0.00 48 K 8.11 4.39 0.00 1.84 1.92 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.38 1.47 7.81 49 K 8.33 4.17 0.00 1.53 1.76 0.00 1.40 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.14 7.81 50 G 8.54 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 51 V 8.66 4.64 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 0.82 0.00 0.00 0.98 0.00 0.00 52 E 9.24 4.54 0.00 1.98 1.85 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 2.21 2.36 0.00 53 K 8.34 4.16 0.00 1.68 1.69 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.59 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.69 1.10 7.81 54 Y 8.20 4.60 0.00 3.27 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.14 3.62 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 0.00 0.00 0.00 56 P 0.00 4.32 0.00 2.18 2.12 0.00 3.61 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 57 E 8.24 4.01 0.00 2.44 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 2.61 2.55 0.00 58 A 8.33 4.06 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 59 S 8.36 4.11 0.00 3.94 4.07 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 60 A 8.53 4.04 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 61 F 8.59 3.84 0.00 3.24 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 62 T 8.39 3.96 4.31 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 1.26 0.00 0.00 63 K 8.07 3.88 0.00 1.93 2.04 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.58 7.81 64 K 8.17 3.84 0.00 1.77 1.64 0.00 1.62 0.00 0.00 1.43 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.36 7.81 65 M 7.80 3.86 0.00 2.08 1.65 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 66 V 8.30 3.85 2.15 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 0.87 0.00 0.00 0.93 0.00 0.00 67 E 8.52 4.04 0.00 2.01 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 2.34 2.38 0.00 68 N 7.77 4.69 0.00 2.76 2.80 0.00 0.00 6.94 7.94 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 69 A 7.25 5.17 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 70 K 8.96 4.22 0.00 1.85 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.50 7.81 71 K 8.07 4.62 0.00 1.65 1.66 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.43 7.81 72 I 8.39 5.09 2.06 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 1.35 0.82 0.90 0.00 0.00 73 E 9.02 4.94 0.00 1.82 1.72 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 2.18 2.25 0.00 74 V 8.71 4.65 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 0.00 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 75 E 8.84 4.91 0.00 2.08 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 0.00 2.46 2.34 0.00 76 F 8.56 5.25 0.00 3.09 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 77 D 8.78 4.76 0.00 2.64 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 78 K 8.89 4.25 0.00 1.96 2.01 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.49 7.81 79 G 8.60 3.57 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 0.00 0.00 0.00 80 Q 9.09 4.09 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 81 R 8.56 4.60 0.00 1.77 1.81 0.00 2.99 0.00 0.00 2.86 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.50 0.00 82 T 7.65 5.07 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 1.18 0.00 0.00 83 D 8.38 5.03 0.00 2.91 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 84 K 8.35 3.88 0.00 1.61 1.79 0.00 1.26 0.00 0.00 1.48 0.00 0.00 2.58 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.87 0.28 7.81 85 Y 7.97 4.37 0.00 3.13 2.96 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 0.00 0.00 0.00 86 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 87 R 7.98 4.14 0.00 2.05 1.83 0.00 3.12 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 88 G 8.65 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 89 L 8.38 5.45 0.00 1.59 1.58 0.98 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 90 A 8.78 4.46 0.90 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 0.00 0.00 91 Y 8.68 4.55 0.00 2.93 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 92 I 8.43 4.74 1.79 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 0.96 0.44 0.84 0.00 0.00 93 Y 9.40 5.06 0.00 2.82 2.83 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 94 A 9.09 4.74 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 95 D 9.64 4.20 0.00 2.90 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 96 G 8.40 4.06 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 0.00 97 K 7.65 4.43 0.00 2.02 1.76 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.39 7.81 98 M 8.38 3.96 0.00 1.85 1.51 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.37 0.00 99 V 8.70 3.62 2.05 0.00 0.00 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 0.00 0.00 0.92 0.00 0.00 100 N 8.03 4.26 0.00 2.85 2.90 0.00 0.00 6.78 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 0.00 101 E 8.05 3.92 0.00 1.93 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 2.33 2.28 0.00 102 A 8.27 4.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 3.32 0.00 1.78 1.56 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.39 3.92 2.14 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 1.28 0.00 0.00 0.97 0.00 0.00 105 R 7.89 3.89 0.00 2.07 2.07 0.00 3.32 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 106 Q 7.42 4.31 0.00 1.59 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.40 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 107 G 7.65 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 0.00 0.00 0.00 108 L 7.72 4.55 0.00 1.30 1.52 0.76 0.72 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 0.00 109 A 7.37 4.65 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 0.00 110 K 8.70 4.68 0.00 1.69 1.70 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.33 7.81 111 V 8.24 4.27 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 0.75 0.00 0.00 0.92 0.00 0.00 112 A 8.32 4.48 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 Y 8.53 3.82 0.00 2.99 2.82 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 0.00 0.00 0.00 *120 T 7.98 4.25 4.12 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 1.20 0.00 0.00 121 H 8.18 4.82 0.00 3.20 3.28 0.00 5.64 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 E 7.94 3.92 0.00 2.02 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 2.38 2.42 0.00 123 Q 7.97 3.95 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 124 H 8.18 4.21 0.00 3.23 3.50 0.00 5.87 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 0.00 125 L 8.15 3.95 0.00 2.04 1.71 0.89 1.07 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 0.00 126 R 8.37 3.96 0.00 1.84 1.96 0.00 3.30 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 127 K 7.90 3.87 0.00 2.02 2.09 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 128 S 7.87 4.16 0.00 3.97 3.90 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 0.00 129 E 8.46 3.97 0.00 2.19 2.11 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 2.18 2.60 0.00 130 A 8.38 3.80 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 0.00 131 Q 7.90 3.88 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 132 A 8.25 4.06 1.57 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 0.00 0.00 133 K 7.89 3.23 0.00 1.52 1.38 0.00 1.20 0.00 0.00 0.97 0.00 0.00 2.20 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.30 0.33 7.81 134 K 7.71 3.86 0.00 1.77 1.98 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.45 7.81 135 E 8.10 4.23 0.00 2.03 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 2.62 0.00 136 K 7.95 4.36 0.00 2.05 1.98 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.54 1.39 7.81 137 L 7.98 4.25 0.00 1.87 1.68 0.99 1.23 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 0.00 138 N 9.44 3.80 0.00 2.77 2.60 0.00 0.00 6.89 7.48 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 0.00 139 I 8.53 3.55 1.28 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 -0.36 0.65 0.00 0.00 140 W 8.28 5.01 0.00 3.44 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 0.00 141 S 8.00 4.90 0.00 3.90 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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.