NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.6296 8.3349 116.8120 57.9204 64.2675 173.7230 3 P 4.2800 0.0000 0.0000 65.0982 31.9612 176.2994 4 I 4.6824 7.8675 117.3676 60.6052 39.3823 175.0909 5 F 4.3972 9.0429 127.0228 56.9090 42.9576 174.3599 6 G 3.6192 5.3800 109.2640 45.1405 0.0000 170.2276 7 P 4.4911 0.0000 0.0000 61.6885 31.6853 175.2032 8 E 4.3844 9.0508 125.8085 58.9446 30.6699 176.4412 9 E 5.3239 8.0615 116.3599 54.6196 33.9477 175.3037 10 V 4.4769 9.3173 123.1138 61.2493 34.8127 173.7622 11 N 5.6123 8.8825 124.4919 51.8480 41.6179 173.4573 12 S 4.6328 9.0413 116.1824 57.4038 67.0897 172.1466 13 V 4.8763 8.0963 120.0507 60.4477 34.4416 174.6761 14 E 4.2639 8.4832 126.3662 58.2243 29.6662 176.8282 15 G 4.1036 8.9496 112.8687 45.7877 0.0000 173.4540 16 N 4.7639 8.3122 117.1217 53.0826 40.4143 174.0431 17 S 5.3112 8.5067 114.3773 56.9944 66.7503 174.0486 18 V 4.5124 9.1392 121.8483 60.0903 34.9115 174.3859 19 S 5.0873 8.5659 117.4962 56.8142 66.2322 173.4671 20 I 4.3826 8.4735 123.9018 59.7829 40.3595 174.3440 21 T 4.6980 8.4575 123.7285 61.8727 70.4958 174.4612 22 C 5.0539 8.1963 123.7435 55.2360 44.6398 172.5635 23 Y 5.2259 9.5724 121.6687 56.6003 40.0171 174.3957 24 Y 5.3086 8.7965 120.0487 54.5266 42.2813 172.7668 25 P 4.4514 0.0000 0.0000 62.9760 32.1797 176.1172 26 P 4.7360 0.0000 0.0000 62.4012 30.5088 176.6451 27 T 4.6476 7.5000 109.3354 60.2626 72.7123 174.2093 28 S 3.9291 8.5822 116.0235 61.9409 62.4096 176.5537 29 V 3.5871 7.8799 119.8340 66.3826 31.0040 177.7200 30 N 4.1217 7.3723 114.2301 56.6235 38.5745 177.1764 31 R 4.1290 8.3583 118.0246 59.0908 30.2372 177.7597 32 H 4.7962 7.8053 112.7747 55.0419 30.2347 174.9857 33 T 4.0518 7.0405 115.5776 61.0641 68.0745 173.7720 34 R 3.9191 8.4587 126.3944 57.2465 31.1512 174.9738 35 K 4.7126 8.9205 125.6225 54.7546 34.4977 174.9109 36 Y 5.5222 8.3188 121.1521 55.3494 42.4217 173.7898 37 W 5.7957 9.5359 129.9494 56.1406 33.8232 171.5199 38 C 5.4243 9.2551 121.4327 53.6100 45.0528 172.5715 39 R 4.1943 8.2291 120.2084 54.2576 31.5800 175.0583 40 Q 4.0101 8.3915 126.4439 56.2482 29.1639 175.2681 *46 C 4.5221 8.6349 124.3038 56.4646 46.0428 172.7532 47 I 4.3250 8.3564 128.1238 59.9313 38.4571 175.6194 48 T 4.1514 8.5191 124.2719 64.4001 68.3166 173.8263 49 L 4.4804 9.2252 126.2635 56.2080 44.2474 176.4877 50 I 5.0408 7.6776 116.1200 60.1575 41.2943 173.4457 51 S 5.4701 9.0791 122.8643 56.6372 66.2979 173.9411 52 S 4.3998 9.0443 113.9320 58.8172 63.4611 174.4107 53 E 4.5100 7.7998 119.2579 56.7307 29.7244 176.9423 54 G 3.9202 8.5103 104.8309 45.8499 0.0000 173.0283 55 Y 4.6574 7.7295 120.4193 55.4207 40.5529 174.8922 56 V 4.2973 7.1455 125.8963 60.8289 34.0933 174.7576 57 S 4.1136 8.4574 123.0793 57.9126 63.4515 175.5978 58 S 4.1443 8.5449 116.3740 61.3053 62.9343 175.7368 59 K 4.1704 8.1147 121.1093 58.8112 32.3724 176.7995 60 Y 4.5070 7.6928 114.4852 58.5024 38.8251 174.9459 61 A 4.0300 8.0932 122.9603 54.0273 18.3212 177.7684 62 G 4.0274 9.0769 111.8424 45.5779 0.0000 173.6101 63 R 4.5928 8.3086 114.9947 55.8105 30.7200 175.1537 64 A 4.8681 7.5563 119.7958 51.9148 22.5618 174.8658 65 N 4.9666 9.0659 116.6496 52.5284 43.0951 173.0203 66 L 5.2576 8.3781 124.3655 53.8022 45.1935 175.4217 67 T 4.5613 9.2458 123.0560 61.6831 71.9701 172.3765 68 N 5.0789 8.5123 124.3816 52.2547 41.0068 174.8332 69 F 4.7766 9.5805 124.5199 54.4662 39.2973 173.5102 70 P 4.4041 0.0000 0.0000 65.3725 31.7947 178.2629 71 E 4.1497 8.4836 112.1527 59.0399 29.5568 179.5442 72 N 4.4316 8.1751 116.4717 54.0726 39.6004 174.5579 73 G 3.2398 8.2900 106.3347 46.1051 0.0000 172.6933 74 T 5.0544 7.2201 107.1285 59.7617 72.9858 172.5464 75 F 5.5289 8.7178 116.3974 55.5752 41.9088 173.3257 76 V 4.7670 9.2856 121.1200 61.1124 34.5788 174.1325 77 V 4.6686 8.4343 127.7632 61.2828 33.4851 173.7613 78 N 5.2199 9.0332 126.0768 51.5756 41.0450 173.9896 79 I 4.7127 9.0005 123.8849 59.3859 40.7211 174.7740 80 A 4.7279 8.7615 128.4733 48.4999 21.7399 175.7124 81 Q 3.1767 8.3303 117.5151 56.9753 27.4097 174.3675 82 L 4.2265 7.9985 119.1621 55.1021 42.8465 177.5496 83 S 5.1359 9.2456 117.7699 55.8343 65.9967 174.8306 84 Q 4.1087 8.4830 116.9719 58.9970 28.3608 178.1282 85 D 4.4785 7.6492 116.9583 56.7306 40.9824 177.1591 86 D 4.7921 8.0474 118.1207 56.1374 41.2385 177.2168 87 S 4.4966 7.7740 115.6823 57.5157 63.5097 174.6392 88 G 3.9043 8.2683 111.6824 46.0627 0.0000 170.2257 89 R 5.1333 7.5615 117.5542 54.8317 32.7965 175.3525 90 Y 4.8528 9.3279 120.1032 56.2933 42.9601 174.0882 91 K 5.2851 8.5913 118.2827 55.2167 37.1494 173.3190 92 C 5.6742 9.0790 118.5220 54.1284 45.8456 173.3270 93 G 3.9550 8.0991 107.7982 45.7411 0.0000 171.3290 94 L 4.9735 8.3125 119.2718 53.2907 44.2426 179.2209 95 G 3.9246 9.2472 109.4494 46.6720 0.0000 174.1093 96 I 4.0988 8.0659 123.6666 60.1576 38.2526 176.3024 97 N 3.8515 8.3740 120.9584 55.8944 38.3800 176.6802 98 S 4.5232 7.9449 110.9448 59.2898 62.3104 175.3136 99 R 4.0829 7.8475 118.3369 57.4080 29.3853 182.2069 100 G 4.1634 7.8430 102.8797 46.1156 0.0000 174.5773 101 L 4.4565 7.5953 122.5350 54.9842 39.5153 175.1917 102 S 4.9687 7.5290 113.9194 57.2643 66.2320 173.3513 103 F 4.8785 8.7845 120.9766 57.3921 42.8633 173.8991 104 D 5.0435 7.7987 125.7672 53.5877 42.0590 175.8389 105 V 4.6659 8.9089 123.1779 61.2703 34.9366 174.1006 106 S 5.2154 9.0202 124.1683 57.0253 64.9769 172.6750 107 L 5.2127 9.3666 127.9720 53.3757 44.2289 174.6905 108 E 4.8613 9.4225 126.4168 54.7975 32.3308 175.4761 109 V 4.5304 8.5998 126.5812 60.9507 31.3795 174.8347 110 L 4.2807 9.0926 128.2769 54.1623 42.6539 176.6462 111 E 4.6126 8.7680 121.5962 56.7973 30.5121 176.0206 112 H 4.5017 9.3344 123.0175 55.3397 30.0264 174.9632 113 H 4.4971 8.5699 124.4409 55.2260 29.3745 174.8885 114 H 4.3631 8.4405 117.1169 56.3663 29.5100 175.3520 115 H 4.9027 8.4349 116.3780 54.9609 27.9037 175.1472 116 H 4.6681 8.1198 118.4450 55.9061 30.9219 174.0686 117 H 4.3036 8.7777 123.2008 56.2647 28.1123 174.8938 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 S 8.33 4.63 0.00 4.01 4.13 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 3 P 0.00 4.28 0.00 2.23 2.20 0.00 3.78 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 2.10 2.23 0.00 4 I 7.87 4.68 2.09 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 1.44 0.66 1.14 0.00 0.00 5 F 9.04 4.40 0.00 2.94 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 6 G 5.38 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 7 P 0.00 4.49 0.00 2.19 2.04 0.00 3.57 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 8 E 9.05 4.38 0.00 2.32 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 2.43 2.37 0.00 9 E 8.06 5.32 0.00 1.87 1.81 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 2.25 2.34 0.00 10 V 9.32 4.48 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 0.98 0.00 0.00 0.96 0.00 0.00 11 N 8.88 5.61 0.00 2.60 2.69 0.00 0.00 6.81 7.57 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 12 S 9.04 4.63 0.00 3.83 3.67 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 13 V 8.10 4.88 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 0.94 0.00 0.00 0.91 0.00 0.00 14 E 8.48 4.26 0.00 2.06 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 2.37 2.54 0.00 15 G 8.95 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.31 4.76 0.00 2.78 2.77 0.00 0.00 6.62 7.08 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 17 S 8.51 5.31 0.00 3.69 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 18 V 9.14 4.51 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 0.72 0.00 0.00 0.86 0.00 0.00 19 S 8.57 5.09 0.00 3.64 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.47 4.38 1.25 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.58 0.76 0.00 0.00 21 T 8.46 4.70 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 0.80 0.00 0.00 22 C 8.20 5.05 0.00 1.83 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.57 5.23 0.00 2.93 2.85 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 24 Y 8.80 5.31 0.00 3.05 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 25 P 0.00 4.45 0.00 2.20 2.15 0.00 3.91 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 26 P 0.00 4.74 0.00 2.06 2.04 0.00 3.68 0.00 0.00 3.87 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 27 T 7.50 4.65 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 1.27 0.00 0.00 28 S 8.58 3.93 0.00 3.95 3.93 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 0.00 0.00 0.00 29 V 7.88 3.59 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 1.02 0.00 0.00 0.95 0.00 0.00 30 N 7.37 4.12 0.00 3.14 2.80 0.00 0.00 7.15 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 31 R 8.36 4.13 0.00 1.85 1.83 0.00 3.16 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.88 0.00 32 H 7.81 4.80 0.00 3.12 3.29 0.00 5.65 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.04 4.05 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 1.09 0.00 0.00 34 R 8.46 3.92 0.00 1.93 1.84 0.00 3.23 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 35 K 8.92 4.71 0.00 1.14 0.74 0.00 0.80 0.00 0.00 1.31 0.00 0.00 2.35 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.99 0.88 7.81 36 Y 8.32 5.52 0.00 3.12 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 37 W 9.54 5.80 0.00 3.61 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 38 C 9.26 5.42 0.00 3.02 3.15 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 39 R 8.23 4.19 0.00 1.50 1.54 0.00 2.83 0.00 0.00 2.98 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.75 0.00 40 Q 8.39 4.01 0.00 1.78 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.22 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 *46 C 8.63 4.52 0.00 2.94 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 47 I 8.36 4.32 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.41 0.87 0.00 0.00 48 T 8.52 4.15 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 1.44 0.00 0.00 49 L 9.23 4.48 0.00 1.84 0.90 0.94 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.68 5.04 2.17 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.39 1.32 0.00 0.00 51 S 9.08 5.47 0.00 4.10 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 52 S 9.04 4.40 0.00 3.83 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 53 E 7.80 4.51 0.00 2.06 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 2.28 2.38 0.00 54 G 8.51 3.92 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 0.00 0.00 0.00 55 Y 7.73 4.66 0.00 3.05 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 0.00 56 V 7.15 4.30 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 0.90 0.00 0.00 0.89 0.00 0.00 57 S 8.46 4.11 0.00 4.00 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 58 S 8.54 4.14 0.00 4.02 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 59 K 8.11 4.17 0.00 1.79 1.91 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.44 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.79 1.62 7.81 60 Y 7.69 4.51 0.00 3.13 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 61 A 8.09 4.03 1.30 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 0.00 0.00 0.00 62 G 9.08 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 63 R 8.31 4.59 0.00 1.74 2.10 0.00 2.78 0.00 0.00 3.51 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.43 0.00 64 A 7.56 4.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 N 9.07 4.97 0.00 2.75 2.56 0.00 0.00 7.00 6.21 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 66 L 8.38 5.26 0.00 1.73 1.55 1.17 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 67 T 9.25 4.56 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 0.61 0.00 0.00 68 N 8.51 5.08 0.00 2.65 2.60 0.00 0.00 6.91 7.02 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 69 F 9.58 4.78 0.00 3.11 2.86 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 70 P 0.00 4.40 0.00 2.10 2.21 0.00 3.82 0.00 0.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.39 0.00 71 E 8.48 4.15 0.00 1.98 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 2.24 1.89 0.00 72 N 8.18 4.43 0.00 2.64 2.93 0.00 0.00 7.00 7.98 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 73 G 8.29 3.24 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 74 T 7.22 5.05 3.68 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 0.35 0.00 0.00 75 F 8.72 5.53 0.00 3.20 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 76 V 9.29 4.77 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 0.97 0.00 0.00 1.01 0.00 0.00 77 V 8.43 4.67 1.34 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 0.37 0.00 0.00 0.77 0.00 0.00 78 N 9.03 5.22 0.00 2.52 2.60 0.00 0.00 6.32 7.29 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 79 I 9.00 4.71 1.67 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.59 0.62 0.00 0.00 80 A 8.76 4.73 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 81 Q 8.33 3.18 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 82 L 8.00 4.23 0.00 1.77 1.60 0.90 0.67 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 83 S 9.25 5.14 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.48 4.11 0.00 2.28 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 85 D 7.65 4.48 0.00 2.81 2.85 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 86 D 8.05 4.79 0.00 2.92 2.89 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 0.00 0.00 0.00 87 S 7.77 4.50 0.00 4.06 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 88 G 8.27 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 0.00 0.00 0.00 89 R 7.56 5.13 0.00 1.63 1.76 0.00 3.03 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 90 Y 9.33 4.85 0.00 2.17 1.48 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 91 K 8.59 5.29 0.00 1.73 1.76 0.00 1.67 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.57 1.35 7.81 92 C 9.08 5.67 0.00 3.21 3.64 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 93 G 8.10 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 94 L 8.31 4.97 0.00 1.47 1.40 0.61 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 95 G 9.25 3.92 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 0.00 0.00 0.00 96 I 8.07 4.10 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 1.35 1.08 0.87 0.00 0.00 97 N 8.37 3.85 0.00 2.56 2.63 0.00 0.00 7.27 7.57 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 98 S 7.94 4.52 0.00 3.77 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 99 R 7.85 4.08 0.00 1.91 1.83 0.00 3.35 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 100 G 7.84 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 0.00 0.00 0.00 101 L 7.60 4.46 0.00 1.80 1.68 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 102 S 7.53 4.97 0.00 4.16 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 0.00 103 F 8.78 4.88 0.00 3.23 2.95 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 0.00 104 D 7.80 5.04 0.00 2.31 2.44 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 0.00 0.00 0.00 0.00 105 V 8.91 4.67 2.42 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 1.31 0.00 0.00 1.42 0.00 0.00 106 S 9.02 5.22 0.00 3.99 3.82 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 0.00 107 L 9.37 5.21 0.00 1.80 1.74 1.02 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 108 E 9.42 4.86 0.00 1.89 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 2.26 2.39 0.00 109 V 8.60 4.53 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 0.80 0.00 0.00 1.02 0.00 0.00 110 L 9.09 4.28 0.00 1.59 1.58 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.77 4.61 0.00 2.01 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 2.19 2.06 0.00 112 H 9.33 4.50 0.00 3.20 3.21 0.00 5.75 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.57 4.50 0.00 3.18 3.11 0.00 5.76 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 0.00 114 H 8.44 4.36 0.00 3.27 3.34 0.00 5.49 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 H 8.43 4.90 0.00 3.20 3.29 0.00 5.68 0.00 0.00 0.00 0.00 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.12 4.67 0.00 3.18 3.34 0.00 5.79 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 0.00 117 H 8.78 4.30 0.00 3.27 3.36 0.00 5.98 0.00 0.00 0.00 0.00 6.91 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.