NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1843 8.2531 123.5815 49.7876 19.9381 176.0159 3 G 3.4164 8.9736 106.4816 44.0937 0.0000 171.1595 4 D 4.8772 7.9380 123.5143 54.4781 45.2075 173.8305 5 T 3.4264 8.2346 109.8646 63.8193 65.6932 171.9210 6 T 4.8856 7.6753 108.6924 61.0235 70.7049 174.3091 7 I 4.7386 8.9467 123.0547 59.9318 42.2538 173.4632 8 T 5.0921 8.4894 122.6258 61.8520 71.1149 173.4434 9 I 4.6828 8.9535 126.6484 59.4878 41.1522 174.7537 10 V 4.9071 7.8962 123.2263 59.6274 34.5217 174.9042 11 G 3.9578 7.9344 112.9760 46.8749 0.0000 170.5256 12 N 6.1787 7.5600 116.4646 50.6999 41.5210 175.0087 13 L 4.5962 8.3127 121.7031 54.9203 42.4014 178.2743 14 T 3.7205 8.7444 114.3568 64.8706 69.7042 173.6191 15 A 4.5479 7.5292 122.3580 51.0732 21.8933 174.5509 16 D 4.6872 8.3948 116.7944 53.5547 41.5098 174.8452 17 P 4.5792 0.0000 0.0000 62.9337 32.2247 175.6476 18 E 4.4110 8.9609 124.3280 55.3883 30.8701 175.0533 19 L 4.7927 8.5027 128.9362 54.3982 43.4553 175.9495 20 R 4.8463 7.6542 122.8199 55.3351 34.2436 173.8997 21 F 5.4607 8.8678 118.8579 58.2590 39.7545 177.4436 22 T 3.4343 8.6119 117.6233 62.6531 68.1078 170.2784 23 P 4.1087 0.0000 0.0000 62.7023 28.4679 176.4707 24 S 5.5619 8.4376 129.8430 58.6435 63.8472 179.2898 25 G 3.9131 8.2141 106.5925 45.2560 0.0000 173.0227 26 A 4.5521 7.9325 121.1429 51.2897 20.8557 176.8849 27 A 4.1064 8.5043 120.4842 50.3946 21.3616 175.9678 28 V 3.1603 9.2724 123.7999 61.1592 32.3376 173.3386 29 A 4.5064 7.9855 128.6857 51.0901 20.1993 176.0678 30 N 5.5964 10.6228 119.5336 49.6511 42.8957 173.4675 31 F 5.2927 7.2853 118.8867 56.8650 38.8904 172.4322 32 T 4.8739 7.8017 112.2649 59.9715 71.5372 172.9037 33 V 4.6396 8.6110 124.7587 61.9324 33.6607 174.4541 34 A 4.5007 9.0014 129.3451 50.2132 21.0780 175.1566 35 S 4.4449 8.6537 118.4867 60.1831 63.9644 175.4280 36 T 3.1021 9.0327 118.4733 63.4651 69.4908 174.4832 *51 E 3.7999 9.0760 107.6981 55.7894 31.6695 176.0693 52 A 3.8452 7.7133 122.0689 51.9502 16.0451 176.0419 53 L 4.7493 8.2158 122.3848 53.9906 44.8414 175.3042 54 F 5.1070 8.9933 123.6829 55.8594 41.0682 173.7115 55 L 4.7743 8.3293 124.8005 52.7563 43.8974 176.0374 56 R 4.4614 8.5220 120.8971 55.7295 31.1337 175.4035 57 C 5.1280 8.8115 121.2021 58.0091 31.7567 172.4945 58 N 5.0798 8.7827 116.9033 51.7809 42.8778 173.7596 59 I 4.7496 8.5500 122.9666 59.4847 41.3985 174.9680 60 W 4.6952 9.2909 132.2151 56.5303 31.1322 176.9497 61 R 3.5915 8.9621 119.2928 57.8101 27.8459 172.7086 62 E 4.0056 8.9783 110.0970 63.4526 29.4231 174.9365 63 A 4.1720 8.2877 120.7485 55.2913 18.1722 179.5932 64 A 3.8289 8.1555 119.2741 55.2060 18.2239 179.3117 65 E 3.8499 8.0400 116.3448 60.0069 29.7051 179.2086 66 N 4.4288 8.0194 114.1173 56.3288 38.8103 177.0721 67 V 3.7244 8.0868 119.7391 64.4590 32.1845 174.9288 68 A 4.8010 8.3794 123.9740 49.7438 18.0461 176.5676 69 E 5.9800 7.1514 131.8558 56.9679 32.1991 177.2878 70 S 4.5372 7.3198 114.3458 60.8729 66.1138 174.5519 71 L 4.2405 7.6022 120.8384 54.8235 42.4684 176.3975 72 T 4.6641 7.8676 110.1362 59.5772 71.9410 173.1403 73 R 4.1636 8.7042 119.0289 57.3024 29.4505 177.3447 74 G 3.8713 9.6363 110.2664 45.1408 0.0000 173.0146 75 A 4.2480 7.7391 122.7433 51.3803 19.5834 176.9516 76 R 4.6394 8.5254 123.4258 55.4235 31.4006 175.6605 77 V 4.8376 9.4366 119.4078 59.5889 36.6476 174.3951 78 I 4.7761 8.5048 121.6351 59.7556 39.9971 175.2084 79 V 4.8298 8.8584 127.3188 61.1127 34.7274 174.2579 80 S 5.0237 8.5638 120.3487 56.8116 65.7328 173.0919 81 G 4.1943 8.7044 113.0560 46.0426 0.0000 171.9835 82 R 4.9587 7.9338 118.6583 55.1670 31.8003 176.3659 83 L 4.5252 8.8005 124.4581 54.9136 42.1284 177.0795 84 K 4.3176 8.7999 124.1270 55.3780 34.6656 176.8073 85 Q 3.3209 8.2388 120.4654 56.2989 28.0972 173.6934 *91 R 4.1150 8.2803 113.5319 54.9017 31.0355 175.2316 92 E 3.5595 9.5195 116.2171 56.7033 28.5757 173.7537 93 G 4.2448 7.5185 103.9850 45.2313 0.0000 172.9426 94 E 4.2849 8.5091 119.8393 57.5241 32.2689 176.9017 95 K 3.4571 7.9915 114.6655 58.3083 31.7213 174.3548 96 R 5.0679 7.4498 117.7375 57.4731 31.8072 172.9373 97 T 4.6958 8.1948 107.0043 62.2947 69.4493 174.0924 98 V 4.4801 7.8242 113.7957 60.5705 34.9456 175.2774 99 I 4.3710 8.1902 121.8370 59.8093 38.5943 174.9267 100 E 4.8869 8.5163 123.6351 54.3987 34.3038 174.5042 101 V 4.5482 8.2499 119.9151 61.1953 33.7343 175.0718 102 E 4.8607 8.9432 132.1136 54.0827 27.5028 174.4712 103 V 3.5918 7.8762 120.0981 63.9908 31.9076 174.9082 104 D 4.7413 9.7281 128.8477 56.1208 41.6774 176.4947 105 E 4.8368 8.0475 117.1278 54.5517 32.7217 174.5171 106 I 5.3354 7.6544 122.2351 58.3494 41.9943 174.2432 107 G 4.1858 8.1208 111.7438 45.0196 0.0000 170.8011 108 P 4.7864 0.0000 0.0000 62.3352 32.4148 176.5403 109 S 4.2285 9.9140 120.1910 57.5869 61.3439 174.5030 110 L 4.3715 8.3260 125.5025 55.3868 40.7490 178.7674 111 R 3.8957 7.3532 119.8903 58.2225 30.3121 176.6445 112 Y 4.9750 7.2648 115.4391 57.5471 38.7815 175.2838 113 A 4.3915 7.5962 119.9947 52.0719 21.7719 176.5779 114 T 4.3923 8.2032 110.1004 60.5493 71.0099 173.7549 115 A 4.4167 7.9727 121.9651 51.0388 21.6814 176.0463 116 K 4.3072 8.4587 123.2148 54.5885 32.3324 175.5027 117 V 3.8695 8.1716 126.3629 62.7106 32.5242 175.3901 118 N 4.4821 8.7956 124.1610 54.2207 39.7819 173.4402 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 2 A 8.25 4.18 1.22 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 0.00 0.00 3 G 8.97 3.42 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 0.00 4 D 7.94 4.88 0.00 2.64 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 5 T 8.23 3.43 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 1.27 0.00 0.00 6 T 7.68 4.89 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 7 I 8.95 4.74 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.60 0.95 0.00 0.00 8 T 8.49 5.09 4.23 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 1.23 0.00 0.00 9 I 8.95 4.68 1.88 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 1.10 0.72 0.89 0.00 0.00 10 V 7.90 4.91 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 1.04 0.00 0.00 0.90 0.00 0.00 11 G 7.93 3.96 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 0.00 0.00 0.00 12 N 7.56 6.18 0.00 2.60 2.76 0.00 0.00 6.97 6.76 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 13 L 8.31 4.60 0.00 1.76 1.85 0.75 0.82 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 14 T 8.74 3.72 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 1.40 0.00 0.00 15 A 7.53 4.55 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 16 D 8.39 4.69 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 17 P 0.00 4.58 0.00 1.80 1.76 0.00 3.58 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 1.95 1.80 0.00 18 E 8.96 4.41 0.00 1.94 1.86 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 2.30 2.28 0.00 19 L 8.50 4.79 0.00 1.58 1.50 0.86 0.31 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 20 R 7.65 4.85 0.00 1.63 1.71 0.00 3.26 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 21 F 8.87 5.46 0.00 2.86 2.64 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 22 T 8.61 3.43 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 1.29 0.00 0.00 23 P 0.00 4.11 0.00 2.21 2.47 0.00 3.86 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 24 S 8.44 5.56 0.00 4.19 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 25 G 8.21 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 26 A 7.93 4.55 1.51 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 27 A 8.50 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 9.27 3.16 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 -0.32 0.00 0.00 0.54 0.00 0.00 29 A 7.99 4.51 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 30 N 10.62 5.60 0.00 2.60 2.66 0.00 0.00 6.54 7.99 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 31 F 7.29 5.29 0.00 3.33 3.19 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 32 T 7.80 4.87 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 1.23 0.00 0.00 33 V 8.61 4.64 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 0.93 0.00 0.00 1.06 0.00 0.00 34 A 9.00 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.65 4.44 0.00 3.82 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 36 T 9.03 3.10 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 1.18 0.00 0.00 *51 E 9.08 3.80 0.00 2.04 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 2.13 1.89 0.00 52 A 7.71 3.85 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 53 L 8.22 4.75 0.00 1.68 1.42 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.99 5.11 0.00 2.85 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.33 4.77 0.00 1.52 1.54 0.91 0.74 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 56 R 8.52 4.46 0.00 1.77 2.01 0.00 3.21 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 57 C 8.81 5.13 0.00 1.33 2.37 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 58 N 8.78 5.08 0.00 2.82 2.51 0.00 0.00 6.74 6.94 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 59 I 8.55 4.75 2.04 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 1.30 1.71 1.01 0.00 0.00 60 W 9.29 4.70 0.00 3.36 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 61 R 8.96 3.59 0.00 1.85 1.87 0.00 3.27 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.17 0.00 62 E 8.98 4.01 0.00 1.96 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 2.32 1.97 0.00 63 A 8.29 4.17 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 64 A 8.16 3.83 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 65 E 8.04 3.85 0.00 2.15 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 0.00 2.38 2.38 0.00 66 N 8.02 4.43 0.00 2.80 2.85 0.00 0.00 6.82 7.68 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 67 V 8.09 3.72 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 0.52 0.00 0.00 0.93 0.00 0.00 68 A 8.38 4.80 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 69 E 7.15 5.98 0.00 2.12 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.62 0.00 70 S 7.32 4.54 0.00 3.77 3.76 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 71 L 7.60 4.24 0.00 1.47 1.45 0.65 1.02 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 72 T 7.87 4.66 4.23 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 1.19 0.00 0.00 73 R 8.70 4.16 0.00 2.07 2.19 0.00 3.10 0.00 0.00 3.09 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 74 G 9.64 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 0.00 0.00 0.00 75 A 7.74 4.25 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 76 R 8.53 4.64 0.00 2.14 1.81 0.00 3.03 0.00 0.00 3.11 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.44 0.00 77 V 9.44 4.84 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 0.79 0.00 0.00 1.05 0.00 0.00 78 I 8.50 4.78 1.86 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 1.08 1.46 0.90 0.00 0.00 79 V 8.86 4.83 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 1.03 0.00 0.00 1.06 0.00 0.00 80 S 8.56 5.02 0.00 3.93 3.65 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 81 G 8.70 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 0.00 0.00 0.00 82 R 7.93 4.96 0.00 1.78 1.85 0.00 3.12 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 83 L 8.80 4.53 0.00 1.50 1.62 0.92 0.78 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 84 K 8.80 4.32 0.00 1.62 1.76 0.00 1.83 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.75 7.81 85 Q 8.24 3.32 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 *91 R 8.28 4.12 0.00 2.06 2.19 0.00 3.20 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 92 E 9.52 3.56 0.00 2.05 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 2.20 2.34 0.00 93 G 7.52 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 0.00 0.00 0.00 0.00 94 E 8.51 4.28 0.00 1.91 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 2.20 2.30 0.00 95 K 7.99 3.46 0.00 1.82 1.88 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.42 7.81 96 R 7.45 5.07 0.00 1.80 1.75 0.00 3.22 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.98 0.00 97 T 8.19 4.70 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 98 V 7.82 4.48 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 0.73 0.00 0.00 1.02 0.00 0.00 99 I 8.19 4.37 1.88 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 1.42 0.58 0.91 0.00 0.00 100 E 8.52 4.89 0.00 1.88 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 2.27 2.26 0.00 101 V 8.25 4.55 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 0.97 0.00 0.00 0.90 0.00 0.00 102 E 8.94 4.86 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 103 V 7.88 3.59 2.30 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 0.95 0.00 0.00 1.04 0.00 0.00 104 D 9.73 4.74 0.00 2.71 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 0.00 105 E 8.05 4.84 0.00 1.86 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 2.29 2.21 0.00 106 I 7.65 5.34 1.94 0.00 0.00 1.00 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 1.78 0.89 0.00 0.00 107 G 8.12 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 0.00 0.00 0.00 108 P 0.00 4.79 0.00 1.93 1.98 0.00 3.66 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 109 S 9.91 4.23 0.00 3.61 3.76 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 0.00 110 L 8.33 4.37 0.00 1.66 1.70 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.35 3.90 0.00 1.57 1.59 0.00 3.08 0.00 0.00 3.06 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.01 0.00 112 Y 7.26 4.98 0.00 2.98 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 0.00 113 A 7.60 4.39 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 0.00 114 T 8.20 4.39 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 1.22 0.00 0.00 115 A 7.97 4.42 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 0.00 116 K 8.46 4.31 0.00 1.68 1.74 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.44 7.81 117 V 8.17 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 0.82 0.00 0.00 0.92 0.00 0.00 118 N 8.80 4.48 0.00 2.86 2.72 0.00 0.00 6.98 7.56 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 * Residues marked with a * may have inaccurate shift predictions.