NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4881 8.3344 115.4129 58.0433 63.6506 173.4087 2 K 4.4337 7.6288 120.0277 56.1716 33.4721 173.5090 3 Q 4.5182 7.5892 114.5679 53.6020 33.4238 171.8586 4 P 4.6489 0.0000 0.0000 65.1248 29.8810 173.7521 5 D 4.5459 8.4094 130.5486 54.8619 39.1192 177.8717 6 K 4.3601 7.7354 118.3792 57.2851 30.6266 178.5374 7 Q 4.0051 7.8127 120.0025 58.5369 28.6494 177.6549 8 R 4.1731 7.7632 116.8755 57.7219 30.1772 178.3164 9 K 4.0180 7.9317 118.2107 56.9871 32.3931 177.7042 10 S 4.8284 7.3725 110.9470 57.8404 63.5902 173.7670 11 Q 4.7850 8.0776 118.5847 56.7936 30.1249 176.4623 12 R 4.5238 7.7905 111.0736 56.9912 31.4863 177.3044 13 R 4.0448 7.5706 116.7070 58.6565 30.6836 176.9908 14 A 4.3639 7.0110 119.5418 50.7191 20.1433 174.2949 15 P 4.2131 0.0000 0.0000 63.4568 31.7823 177.0319 16 L 4.1179 8.8691 123.6619 58.2628 42.0333 179.1340 17 H 3.7540 8.6560 115.3335 59.0309 28.5392 176.9964 18 E 4.0294 8.6365 120.7513 59.8947 28.9289 179.7912 19 R 3.9762 9.1162 119.0135 58.9357 30.0508 178.1333 20 H 4.1629 8.4334 118.2204 59.8259 29.4917 177.2248 21 K 4.1008 8.0404 119.0681 59.9837 32.4949 177.9810 22 Q 4.1710 9.1479 120.1484 58.1475 28.7935 177.9080 23 V 3.6964 7.8632 117.8564 64.2194 31.7876 176.2303 24 R 4.0181 7.6287 117.5381 56.7666 30.7811 177.0619 25 A 4.4858 7.3141 118.9391 53.2560 24.4441 175.6808 26 T 4.7029 7.6270 109.1512 60.1174 69.8608 173.7349 27 L 4.7448 8.2788 119.8334 55.8438 42.3744 173.0793 28 S 4.7840 8.2851 110.6143 57.5891 62.0971 173.4973 29 A 4.3455 8.4010 121.4577 54.0668 20.0896 180.6943 30 D 4.4013 7.4050 106.2062 54.2456 42.1492 181.5912 31 L 4.3734 7.8324 112.7079 55.7636 43.8507 179.0509 32 R 3.8315 7.9334 111.0721 56.8892 31.0176 181.0017 33 E 3.3187 8.7148 111.0949 58.5141 32.2094 177.9940 34 E 3.7533 6.9986 121.4605 56.4681 30.8326 177.3755 35 Y 5.1130 8.6411 116.4231 56.0238 39.2914 175.7123 36 G 4.9262 8.8758 119.6897 46.5667 0.0000 171.8946 *40 V 3.5552 7.4754 119.0565 63.9542 32.1739 172.7778 41 R 3.8123 8.6831 128.3525 56.6731 26.8092 175.3266 42 V 4.0758 7.6885 126.5552 62.5822 33.4392 173.8767 43 N 4.9497 8.8139 110.1806 53.4402 45.7800 174.8624 44 A 3.9108 8.5960 122.9704 51.8710 15.3924 179.5784 45 G 3.8963 8.5158 106.9203 44.1241 0.0000 173.6394 46 D 6.3000 7.7438 120.6673 53.2412 43.8372 173.8651 47 T 4.8014 12.0000 111.7348 60.3742 70.5892 174.0780 48 V 4.1406 7.4185 124.3660 63.1976 39.8140 172.5854 49 E 5.2083 9.2119 111.7789 56.1543 32.7374 175.9307 50 V 3.5720 7.0489 123.1498 60.6592 35.6882 176.4226 51 L 4.4349 8.1744 120.5192 56.4122 41.3325 173.8056 52 R 4.3265 8.1878 116.2155 56.8257 33.7317 170.4794 53 G 3.7107 7.7455 116.5007 47.1390 0.0000 176.9108 54 D 3.8676 7.9225 123.0429 56.7197 41.9191 177.2190 55 F 4.3201 8.0636 116.0194 59.0684 39.2211 175.3445 56 A 4.0042 12.0000 122.9664 51.9503 19.5858 177.3631 57 G 3.9866 8.5831 107.2528 46.5410 0.0000 171.3745 58 E 4.9883 7.9078 120.1178 52.7813 33.7491 173.5399 59 E 4.8278 8.0386 119.1073 54.4612 31.7571 175.8633 60 G 4.1003 7.9642 107.4168 46.6471 0.0000 171.6330 61 E 5.1953 8.0946 117.5143 54.1607 34.7741 174.9358 62 V 3.7136 9.3407 123.1819 63.1420 31.2656 175.6311 63 I 4.1909 8.5517 129.4166 63.2481 37.8007 176.5899 64 N 4.7585 7.7770 120.0161 51.5671 42.5896 174.1944 65 V 3.8824 8.6500 124.3450 63.6247 30.2780 174.9580 66 D 4.5814 9.0325 123.7500 55.4383 41.4016 181.3124 67 L 3.3641 7.6162 119.2954 58.0305 42.0905 177.7240 68 D 3.8358 7.0533 109.3614 57.0251 42.3088 177.1975 69 K 3.8183 7.4430 124.5028 58.2362 32.8477 177.8199 70 A 3.9848 10.6000 121.8856 51.2810 17.9493 177.3125 71 V 4.3582 6.9142 114.6104 62.9825 35.3051 170.4197 72 I 5.8833 7.9998 119.7529 59.3742 41.7677 174.0326 73 H 5.0882 8.3900 117.7432 54.6359 32.6295 173.4915 74 V 5.1918 8.0689 120.4590 61.0275 30.7144 177.9651 75 E 3.1252 8.0824 117.6887 56.1532 33.8211 179.0114 76 D 3.6886 7.9396 115.0093 56.4310 41.5517 177.5708 77 V 2.7439 8.5329 116.0549 62.6904 32.4611 174.7103 78 T 4.2840 6.7628 116.5207 63.8732 72.4561 171.3024 79 L 4.4353 9.1373 121.0863 55.5076 46.3745 174.1506 80 E 4.9245 8.7235 121.4489 54.0921 31.3528 178.7943 81 K 4.4529 8.6474 125.0944 56.7363 31.9388 177.7484 82 T 4.5315 8.3659 109.5558 64.3897 71.1072 174.8866 83 D 4.5323 8.4047 120.2973 55.9548 42.5354 175.7464 84 G 3.8804 9.6594 108.8004 44.8658 0.0000 174.9670 85 E 3.3710 8.0667 120.0697 53.7094 32.3122 175.0082 86 E 4.7552 8.2300 123.7114 55.8886 31.2254 175.3793 87 V 4.3285 7.7632 117.1658 61.8834 35.7979 169.3266 88 P 4.6184 0.0000 0.0000 62.7832 31.9156 176.5193 89 R 4.4558 7.8337 123.3943 54.5291 31.5011 174.2296 90 P 4.5236 0.0000 0.0000 63.0302 32.6618 176.4774 91 L 4.3440 8.5492 123.5543 52.9561 42.4850 174.5287 92 D 4.3978 9.2194 124.5901 55.5029 39.0535 178.4447 93 T 3.6521 8.1859 111.9549 64.1272 73.3343 175.4147 94 S 3.4163 9.5047 107.2813 56.9405 62.5409 176.4989 95 N 4.6004 9.3362 120.1816 53.7267 38.0044 174.0915 96 V 4.5048 8.0396 121.9804 60.9910 34.9061 174.3295 97 R 4.7842 8.6350 125.4662 54.3952 34.1768 174.4940 98 V 5.2902 8.0772 122.1768 61.1665 34.6267 174.8174 99 T 4.3247 8.5690 121.9655 64.4153 71.5805 174.2556 100 D 5.0123 8.0451 121.9213 53.2722 38.9497 175.9837 101 L 5.1036 8.1113 123.4800 54.9923 39.7718 174.2885 102 D 4.3510 7.2990 119.5277 53.6294 39.2718 177.7201 103 L 4.5010 8.1708 121.5734 55.6700 45.8880 176.3313 104 E 3.9512 8.3549 120.3550 59.2399 29.4587 176.7786 105 D 4.5926 8.2680 118.7179 53.9982 40.2962 177.2125 106 E 3.8581 8.4542 125.4444 59.3149 29.8873 180.2480 107 K 4.1096 7.8797 116.7010 58.6393 32.6013 178.3913 108 R 4.1814 10.6400 118.4956 58.6719 30.1707 177.7450 109 E 4.1420 8.1352 115.5116 57.0184 29.9784 176.1076 110 A 4.6606 7.4554 120.3265 52.4661 19.2910 177.1721 111 R 4.4697 7.9271 117.1522 58.1858 33.2989 175.7924 112 L 5.1162 7.2874 113.1577 55.7844 42.5192 175.8757 113 E 5.1082 7.8250 122.7022 57.4751 29.4035 174.3510 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 S 8.33 4.49 0.00 3.99 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 2 K 7.63 4.43 0.00 1.76 1.74 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.47 7.81 3 Q 7.59 4.52 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 4 P 0.00 4.65 0.00 2.18 2.10 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 5 D 8.41 4.55 0.00 2.87 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 6 K 7.74 4.36 0.00 1.83 1.81 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.58 7.81 7 Q 7.81 4.01 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.96 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 8 R 7.76 4.17 0.00 1.89 1.97 0.00 3.23 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 9 K 7.93 4.02 0.00 1.87 1.84 0.00 1.49 0.00 0.00 2.19 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.54 7.81 10 S 7.37 4.83 0.00 3.75 3.89 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 11 Q 8.08 4.78 0.00 1.97 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 12 R 7.79 4.52 0.00 1.93 2.01 0.00 3.09 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 1.59 1.61 0.00 13 R 7.57 4.04 0.00 1.95 2.03 0.00 3.16 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 14 A 7.01 4.36 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 15 P 0.00 4.21 0.00 2.20 2.03 0.00 3.92 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 2.12 2.13 0.00 16 L 8.87 4.12 0.00 1.80 1.74 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.66 3.75 0.00 3.22 3.43 0.00 5.84 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.64 4.03 0.00 2.40 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 2.35 2.45 0.00 19 R 9.12 3.98 0.00 1.99 1.98 0.00 3.16 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 20 H 8.43 4.16 0.00 3.07 3.69 0.00 5.73 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.04 4.10 0.00 1.89 1.83 0.00 1.49 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.23 7.81 22 Q 9.15 4.17 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 23 V 7.86 3.70 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 0.79 0.00 0.00 0.96 0.00 0.00 24 R 7.63 4.02 0.00 1.92 1.86 0.00 3.51 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 25 A 7.31 4.49 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 26 T 7.63 4.70 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 27 L 8.28 4.74 0.00 0.97 1.07 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.29 4.78 0.00 4.00 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 29 A 8.40 4.35 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 30 D 7.41 4.40 0.00 2.76 1.78 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.83 4.37 0.00 1.70 1.72 1.15 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.93 3.83 0.00 1.86 1.13 0.00 3.39 0.00 0.00 3.36 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 33 E 8.71 3.32 0.00 2.15 2.36 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 2.19 2.21 0.00 34 E 7.00 3.75 0.00 1.16 1.46 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 1.84 2.10 0.00 35 Y 8.64 5.11 0.00 3.26 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 36 G 8.88 4.93 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 0.00 0.00 0.00 *40 V 7.48 3.56 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 0.77 0.00 0.00 0.93 0.00 0.00 41 R 8.68 3.81 0.00 1.59 1.41 0.00 3.20 0.00 0.00 3.12 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.22 0.00 42 V 7.69 4.08 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 0.86 0.00 0.00 0.97 0.00 0.00 43 N 8.81 4.95 0.00 2.72 2.78 0.00 0.00 6.96 7.35 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 44 A 8.60 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 45 G 8.52 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 46 D 7.74 6.30 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 12.00 4.80 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 1.26 0.00 0.00 48 V 7.42 4.14 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.81 0.00 0.00 49 E 9.21 5.21 0.00 2.00 1.66 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 1.56 1.82 0.00 50 V 7.05 3.57 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 1.00 0.00 0.00 0.95 0.00 0.00 51 L 8.17 4.43 0.00 1.74 1.66 0.91 0.55 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 52 R 8.19 4.33 0.00 1.87 1.84 0.00 3.79 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 53 G 7.75 3.71 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 0.00 0.00 0.00 54 D 7.92 3.87 0.00 2.26 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 55 F 8.06 4.32 0.00 3.13 3.36 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 56 A 12.00 4.00 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 57 G 8.58 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 0.00 0.00 0.00 58 E 7.91 4.99 0.00 2.29 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 2.47 2.28 0.00 59 E 8.04 4.83 0.00 2.07 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 2.17 2.26 0.00 60 G 7.96 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 61 E 8.09 5.20 0.00 2.05 1.78 0.00 0.00 0.00 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 2.19 0.00 62 V 9.34 3.71 2.19 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 0.75 0.00 0.00 0.91 0.00 0.00 63 I 8.55 4.19 1.93 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 1.78 0.88 0.96 0.00 0.00 64 N 7.78 4.76 0.00 2.72 2.63 0.00 0.00 6.68 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 65 V 8.65 3.88 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 0.78 0.00 0.00 0.92 0.00 0.00 66 D 9.03 4.58 0.00 3.31 2.54 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 0.00 0.00 0.00 0.00 67 L 7.62 3.36 0.00 1.74 1.84 0.90 1.04 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 68 D 7.05 3.84 0.00 2.68 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 69 K 7.44 3.82 0.00 1.80 1.88 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.39 7.81 70 A 10.60 3.98 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 71 V 6.91 4.36 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 -0.07 0.00 0.00 1.00 0.00 0.00 72 I 8.00 5.88 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.04 1.10 0.00 0.00 73 H 8.39 5.09 0.00 2.87 3.13 0.00 5.75 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 74 V 8.07 5.19 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 0.74 0.00 0.00 0.90 0.00 0.00 75 E 8.08 3.13 0.00 2.14 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 0.00 2.22 2.26 0.00 76 D 7.94 3.69 0.00 2.66 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.53 2.74 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 0.48 0.00 0.00 0.83 0.00 0.00 78 T 6.76 4.28 4.53 0.00 0.00 0.00 0.00 0.00 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 79 L 9.14 4.44 0.00 1.88 1.55 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.72 4.92 0.00 1.90 2.27 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 2.24 2.30 0.00 81 K 8.65 4.45 0.00 1.71 1.61 0.00 2.03 0.00 0.00 1.53 0.00 0.00 3.22 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.42 7.81 82 T 8.37 4.53 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 83 D 8.40 4.53 0.00 2.65 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 84 G 9.66 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 85 E 8.07 3.37 0.00 2.07 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 2.35 2.37 0.00 86 E 8.23 4.76 0.00 2.00 1.90 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 2.47 2.29 0.00 87 V 7.76 4.33 2.19 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 0.89 0.00 0.00 0.94 0.00 0.00 88 P 0.00 4.62 0.00 2.34 2.08 0.00 3.83 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 2.02 0.00 89 R 7.83 4.46 0.00 1.73 1.92 0.00 2.52 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.45 0.00 90 P 0.00 4.52 0.00 2.10 2.10 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 91 L 8.55 4.34 0.00 1.60 1.45 0.99 0.49 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 92 D 9.22 4.40 0.00 2.71 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 93 T 8.19 3.65 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 1.20 0.00 0.00 94 S 9.50 3.42 0.00 3.79 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 95 N 9.34 4.60 0.00 2.65 2.82 0.00 0.00 6.48 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 96 V 8.04 4.50 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 0.82 0.00 0.00 0.96 0.00 0.00 97 R 8.63 4.78 0.00 1.84 1.76 0.00 2.21 0.00 0.00 2.45 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.46 0.00 98 V 8.08 5.29 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 1.26 0.00 0.00 0.98 0.00 0.00 99 T 8.57 4.32 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 0.00 100 D 8.05 5.01 0.00 2.67 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 0.00 101 L 8.11 5.10 0.00 1.59 1.93 1.12 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 102 D 7.30 4.35 0.00 2.78 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 0.00 103 L 8.17 4.50 0.00 1.56 1.70 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.35 3.95 0.00 1.94 2.03 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 2.32 2.41 0.00 105 D 8.27 4.59 0.00 2.78 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 0.00 106 E 8.45 3.86 0.00 2.03 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 2.40 2.39 0.00 107 K 7.88 4.11 0.00 1.74 1.86 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 108 R 10.64 4.18 0.00 1.93 2.10 0.00 3.12 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.56 0.00 109 E 8.14 4.14 0.00 2.04 1.96 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 2.27 2.48 0.00 110 A 7.46 4.66 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 0.00 111 R 7.93 4.47 0.00 1.69 1.84 0.00 3.33 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 112 L 7.29 5.12 0.00 2.18 1.70 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 113 E 7.82 5.11 0.00 2.07 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 2.35 2.81 0.00 * Residues marked with a * may have inaccurate shift predictions.