NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1483 8.0093 121.4530 60.5866 39.4187 175.0471 2 Q 4.7888 7.9809 117.8829 53.9203 30.8186 173.5564 3 K 4.7313 9.2916 121.5575 54.9869 35.6042 176.1009 4 T 5.2122 8.7205 119.1025 59.1019 68.5736 172.5147 5 P 4.7739 0.0000 0.0000 63.4151 32.2806 175.2930 6 Q 4.6951 9.2824 121.8244 54.4001 30.8977 174.5309 7 I 5.1300 8.4360 124.2879 59.6180 40.1897 175.0190 8 Q 4.8244 9.2588 124.2864 54.1471 32.8525 174.3484 9 V 5.0517 8.5583 122.8031 61.4080 34.0417 173.9691 10 Y 5.2616 8.0104 124.2724 56.1762 41.4808 173.8322 11 S 4.6793 8.9350 115.6319 57.9144 64.1972 174.1773 12 R 4.0851 8.9551 123.5998 59.5959 30.0033 176.4785 13 H 5.0327 8.1712 113.8422 52.7985 31.1508 172.7720 14 P 4.3620 0.0000 0.0000 62.3846 31.5530 174.9149 15 P 4.5115 0.0000 0.0000 62.8593 32.2709 175.7477 16 E 4.5057 8.4798 121.0687 54.7187 31.9934 174.0451 17 N 4.6539 8.8547 124.3548 55.2600 38.9147 175.4633 18 G 3.8603 9.4589 111.4298 45.1238 0.0000 172.6725 19 K 4.4092 7.5412 120.8516 53.3372 33.6452 173.8334 20 P 4.2891 0.0000 0.0000 63.8026 32.1303 174.8853 21 N 4.9817 8.9470 120.8170 52.7868 43.3927 172.2302 22 I 5.0990 8.2933 119.2149 59.3669 40.7229 174.6947 23 L 3.9666 8.4350 129.3831 53.9370 43.4418 174.8520 24 N 5.1465 8.5257 123.5638 51.3877 41.6208 172.9524 25 C 4.9599 9.5399 124.0487 55.1262 47.5753 171.9772 26 Y 5.2091 9.3123 129.8361 56.3276 40.1454 174.3076 27 V 4.9606 8.9514 128.1125 61.3923 34.2373 174.5273 28 T 5.0394 8.6373 117.4312 60.2149 72.9626 173.8359 29 Q 3.7538 8.7750 116.5089 56.8532 26.0840 173.4619 30 F 5.3617 7.1504 112.6545 55.9510 41.2095 173.8228 31 H 4.9941 8.9639 116.5868 54.7227 33.5402 171.7510 32 P 4.4491 0.0000 0.0000 61.5517 32.6867 175.0952 33 P 3.9855 0.0000 0.0000 64.1140 31.4203 176.0803 34 H 4.3135 7.4228 120.3015 56.1543 30.2766 173.8733 35 I 4.5385 7.4493 124.6399 60.0045 41.0895 173.0295 36 E 4.6292 8.8641 126.8098 54.5576 32.4685 174.8394 37 I 4.8109 8.4013 125.1577 59.5636 39.5644 175.0073 38 Q 4.7792 9.2800 126.0829 54.2281 32.4717 174.4628 39 M 5.1344 8.4690 120.5879 53.5437 35.8293 174.4346 40 L 5.2353 9.0554 123.2788 52.7368 45.5696 175.3327 41 K 4.4194 9.0755 124.7293 54.7198 34.3132 175.7944 42 N 4.1358 10.2094 127.4298 54.3212 36.6449 175.8305 43 G 4.0031 8.5410 106.0689 45.1565 0.0000 174.0717 44 K 4.3820 7.5963 121.2103 54.4404 33.4394 175.6091 45 K 4.4078 8.3877 126.3913 56.3614 32.7096 176.3052 46 I 4.1009 8.8076 128.4543 60.0676 37.6192 174.3167 47 P 4.2737 0.0000 0.0000 64.8853 31.3202 176.3298 48 K 4.3075 7.8063 121.4147 53.7834 31.9474 173.4624 49 V 4.3522 7.9065 123.8865 60.6171 33.6971 174.3223 50 E 4.3693 8.7162 127.7589 55.8882 30.8868 175.0734 51 M 5.1845 8.4240 123.4290 53.5458 34.8560 175.3776 52 S 4.5670 8.8946 120.6735 58.0964 64.4221 173.5010 53 D 4.6268 8.5326 120.1436 53.3091 41.6661 175.9919 54 M 3.9538 8.4975 120.5079 56.4929 32.5001 175.6788 55 S 4.8536 8.4823 120.7003 56.7782 67.9454 172.9313 56 F 5.2181 8.0070 115.5125 55.2057 40.8475 174.8440 57 S 4.5533 9.3985 117.7801 57.4490 63.6572 175.4058 58 K 3.8895 8.3516 120.1115 58.5695 32.2723 177.1147 59 D 4.4614 7.8055 118.3820 52.7874 39.5132 177.4262 60 W 3.9231 8.2486 119.8839 57.1308 28.4082 174.9402 61 S 4.4006 8.5010 113.8257 58.0873 63.3754 173.4270 62 F 4.8628 8.4389 120.9948 56.8319 40.7590 174.3450 63 Y 5.3526 8.2642 117.3582 56.2021 41.5649 173.8207 64 I 5.0032 9.5883 121.8657 59.7243 42.2274 173.7146 65 L 5.2475 9.7249 128.4765 53.5747 43.9462 174.7485 66 A 5.2736 9.0007 128.9974 50.8237 21.4258 175.2475 67 H 5.2072 9.0376 116.1966 54.8418 32.7510 172.0562 68 T 4.8249 8.4499 112.4625 60.7268 71.1666 172.5613 69 E 4.7764 8.6953 125.4649 56.6363 30.3815 176.2212 70 F 4.8441 9.0285 116.4697 56.2674 41.7461 173.3688 71 T 4.4189 8.3192 117.6613 60.8034 70.0687 172.1257 72 P 4.7291 0.0000 0.0000 62.9597 32.8218 175.8998 73 T 4.8893 8.4862 111.9717 59.3914 71.5525 173.6839 74 E 4.1670 8.7607 118.3010 58.5625 29.8301 177.3829 75 T 4.4056 7.7055 111.8841 62.3338 69.5628 173.6443 76 D 4.5496 8.0421 121.7227 54.4517 41.1050 175.4356 77 T 4.7288 8.7495 115.3619 60.5841 70.9806 173.4517 78 Y 5.4616 8.9341 121.2612 56.5407 41.8325 174.2733 79 A 5.0971 8.8357 122.3188 50.9184 23.6280 174.0203 80 C 5.2427 9.3280 119.7168 54.6729 43.3055 172.6015 81 R 4.9921 9.3184 127.1888 54.4974 32.3411 174.3215 82 V 4.7967 8.9367 126.6686 60.8601 34.6458 173.8325 83 K 4.9117 8.8638 129.2082 54.9991 34.7863 174.1293 84 H 5.0915 8.3768 124.5398 55.1597 32.7780 174.0883 85 D 4.3684 8.5918 124.3487 56.7777 41.0486 177.7338 86 S 4.3739 8.0858 113.0988 59.7246 63.4942 173.3820 87 M 4.9203 7.8785 121.1569 53.2766 34.4747 175.7712 88 A 4.1456 8.7626 126.2025 54.2894 18.9499 177.1199 89 E 4.8201 7.6535 112.6535 53.5289 33.3261 173.7270 90 P 4.5705 0.0000 0.0000 62.6926 32.4540 175.6806 91 K 4.4872 8.7563 124.4903 55.3267 34.0516 175.0097 92 T 5.0886 8.4495 123.9257 61.7068 70.6619 174.1101 93 V 4.4384 8.4788 125.4273 60.0536 34.5585 174.1530 94 Y 5.0692 8.5441 121.0574 56.2113 39.5939 175.2060 95 W 4.5318 9.7441 135.0000 57.7136 31.6731 174.7453 96 D 4.4979 8.5690 126.6502 51.8617 42.1531 176.4197 97 R 3.5153 7.5254 124.0856 59.1170 29.4174 177.4413 98 D 4.3386 7.7894 118.0153 56.5210 41.0347 176.8148 *99 M 4.3163 7.9464 123.1839 54.6934 32.0797 180.5082 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 I 8.01 4.15 1.88 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 1.46 1.05 0.94 0.00 0.00 2 Q 7.98 4.79 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.67 0.00 0.00 0.00 0.00 0.00 2.27 2.50 0.00 3 K 9.29 4.73 0.00 1.89 1.93 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.41 7.81 4 T 8.72 5.21 4.30 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 1.26 0.00 0.00 5 P 0.00 4.77 0.00 2.01 1.81 0.00 3.78 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.73 0.00 6 Q 9.28 4.70 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 7 I 8.44 5.13 1.89 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 1.32 0.59 0.94 0.00 0.00 8 Q 9.26 4.82 0.00 2.36 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 9 V 8.56 5.05 2.29 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 0.86 0.00 0.00 1.03 0.00 0.00 10 Y 8.01 5.26 0.00 3.20 3.14 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 0.00 0.00 0.00 0.00 11 S 8.93 4.68 0.00 4.22 3.94 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 0.00 0.00 0.00 12 R 8.96 4.09 0.00 1.72 1.85 0.00 3.05 0.00 0.00 3.10 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.50 0.00 13 H 8.17 5.03 0.00 3.31 3.19 0.00 5.73 0.00 0.00 0.00 0.00 6.93 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 4.36 0.00 2.09 2.08 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 15 P 0.00 4.51 0.00 2.52 2.61 0.00 3.90 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 2.18 2.40 0.00 16 E 8.48 4.51 0.00 1.99 1.79 0.00 0.00 0.00 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 2.35 0.00 17 N 8.85 4.65 0.00 2.78 2.80 0.00 0.00 7.28 7.65 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 18 G 9.46 3.86 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 0.00 0.00 0.00 19 K 7.54 4.41 0.00 1.69 1.85 0.00 1.82 0.00 0.00 1.86 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.32 7.81 20 P 0.00 4.29 0.00 1.92 1.96 0.00 3.67 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 2.00 2.07 0.00 21 N 8.95 4.98 0.00 2.43 2.30 0.00 0.00 6.77 8.82 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 22 I 8.29 5.10 1.84 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 1.26 0.72 0.84 0.00 0.00 23 L 8.44 3.97 0.00 0.27 0.73 -0.48 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.53 5.15 0.00 1.44 1.85 0.00 0.00 6.09 7.70 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 25 C 9.54 4.96 0.00 2.78 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 26 Y 9.31 5.21 0.00 3.30 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 27 V 8.95 4.96 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 0.76 0.00 0.00 0.91 0.00 0.00 28 T 8.64 5.04 4.11 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 0.30 0.00 0.00 29 Q 8.78 3.75 0.00 2.25 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 30 F 7.15 5.36 0.00 2.84 3.10 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 31 H 8.96 4.99 0.00 3.41 3.24 0.00 5.78 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.45 0.00 2.04 2.07 0.00 3.76 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 2.02 1.93 0.00 33 P 0.00 3.99 0.00 1.61 0.49 0.00 3.48 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.18 0.00 34 H 7.42 4.31 0.00 2.93 3.20 0.00 5.79 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 35 I 7.45 4.54 1.54 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.61 0.74 0.00 0.00 36 E 8.86 4.63 0.00 1.88 1.75 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 2.16 2.16 0.00 37 I 8.40 4.81 1.82 0.00 0.00 0.79 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 0.48 0.86 0.00 0.00 38 Q 9.28 4.78 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 39 M 8.47 5.13 0.00 1.86 1.87 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 40 L 9.06 5.24 0.00 1.56 1.62 0.89 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.08 4.42 0.00 1.91 1.68 0.00 2.00 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.16 0.80 7.81 42 N 10.21 4.14 0.00 2.79 2.83 0.00 0.00 7.20 8.20 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 43 G 8.54 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 0.00 0.00 0.00 44 K 7.60 4.38 0.00 1.82 1.79 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.37 7.81 45 K 8.39 4.41 0.00 1.75 1.70 0.00 1.94 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.53 7.81 46 I 8.81 4.10 1.96 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.77 0.92 0.00 0.00 47 P 0.00 4.27 0.00 2.18 2.18 0.00 3.73 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 1.99 1.96 0.00 48 K 7.81 4.31 0.00 1.67 1.74 0.00 1.60 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.42 7.81 49 V 7.91 4.35 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 0.84 0.00 0.00 0.95 0.00 0.00 50 E 8.72 4.37 0.00 1.58 1.75 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 2.17 2.25 0.00 51 M 8.42 5.18 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 52 S 8.89 4.57 0.00 3.97 3.94 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 0.00 0.00 0.00 53 D 8.53 4.63 0.00 2.70 2.65 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 54 M 8.50 3.95 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.88 0.00 55 S 8.48 4.85 0.00 2.72 3.25 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 56 F 8.01 5.22 0.00 2.30 1.50 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.40 4.55 0.00 3.99 3.78 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 58 K 8.35 3.89 0.00 1.63 1.77 0.00 1.47 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.27 7.81 59 D 7.81 4.46 0.00 2.79 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 60 W 8.25 3.92 0.00 3.38 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 61 S 8.50 4.40 0.00 3.99 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 62 F 8.44 4.86 0.00 2.17 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 63 Y 8.26 5.35 0.00 3.07 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 64 I 9.59 5.00 2.05 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 1.26 1.15 1.00 0.00 0.00 65 L 9.72 5.25 0.00 1.98 1.67 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 66 A 9.00 5.27 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 67 H 9.04 5.21 0.00 3.19 3.34 0.00 5.28 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.45 4.82 4.14 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 0.00 0.00 0.00 1.02 0.00 0.00 69 E 8.70 4.78 0.00 1.92 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 2.33 2.31 0.00 70 F 9.03 4.84 0.00 2.78 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 71 T 8.32 4.42 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 1.15 0.00 0.00 72 P 0.00 4.73 0.00 2.33 2.28 0.00 3.35 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.65 0.00 73 T 8.49 4.89 4.30 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 1.32 0.00 0.00 74 E 8.76 4.17 0.00 2.12 2.16 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 2.31 2.26 0.00 75 T 7.71 4.41 4.26 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 1.23 0.00 0.00 76 D 8.04 4.55 0.00 2.89 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 0.00 0.00 0.00 77 T 8.75 4.73 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 1.23 0.00 0.00 78 Y 8.93 5.46 0.00 3.04 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 79 A 8.84 5.10 0.91 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 80 C 9.33 5.24 0.00 2.88 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 81 R 9.32 4.99 0.00 1.78 1.69 0.00 3.05 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 82 V 8.94 4.80 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 0.73 0.00 0.00 0.84 0.00 0.00 83 K 8.86 4.91 0.00 1.78 1.58 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.32 7.81 84 H 8.38 5.09 0.00 3.08 3.04 0.00 5.73 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.59 4.37 0.00 2.57 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 86 S 8.09 4.37 0.00 4.09 4.26 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 87 M 7.88 4.92 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.46 0.00 88 A 8.76 4.15 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 89 E 7.65 4.82 0.00 1.91 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 2.20 2.23 0.00 90 P 0.00 4.57 0.00 1.91 1.95 0.00 3.65 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 2.01 2.06 0.00 91 K 8.76 4.49 0.00 1.83 1.63 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.39 7.81 92 T 8.45 5.09 4.09 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 0.00 0.00 0.69 0.00 0.00 93 V 8.48 4.44 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 0.79 0.00 0.00 1.00 0.00 0.00 94 Y 8.54 5.07 0.00 2.98 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 95 W 9.74 4.53 0.00 3.28 3.49 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 96 D 8.57 4.50 0.00 2.63 2.45 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 97 R 7.53 3.52 0.00 1.79 0.89 0.00 3.00 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.49 0.00 98 D 7.79 4.34 0.00 2.80 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 *99 M 7.95 4.32 0.00 1.83 2.00 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 * Residues marked with a * may have inaccurate shift predictions.