NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2981 8.2493 123.5868 52.0159 19.8921 175.9268 3 R 4.6105 8.0682 115.6832 54.6714 30.2857 173.0624 4 I 4.5476 7.5989 119.5072 62.4589 46.2231 176.6022 5 A 4.1359 8.3181 122.7344 52.8598 20.8011 182.0879 6 G 3.2599 8.4294 105.5505 45.6562 0.0000 176.0834 7 V 4.4789 5.4500 117.9656 62.2882 33.7527 174.3849 8 E 4.2521 8.2849 117.9303 56.0453 29.9104 176.8896 9 I 4.5389 7.9363 122.7931 60.3317 38.9776 172.1792 10 P 4.9110 0.0000 0.0000 61.6256 32.6103 175.6059 11 R 4.6069 7.9014 118.3663 55.4877 34.2561 175.0248 12 N 4.2773 8.9227 113.5565 53.9611 36.7182 174.2422 13 K 4.8517 7.3568 118.6256 54.5275 35.3735 174.5339 14 R 4.4924 8.2285 118.0325 56.0909 31.9521 177.5838 15 V 3.6389 8.0985 117.7328 64.7725 31.3884 178.6082 16 D 4.3450 8.0023 117.4192 56.2822 39.3282 178.0813 17 V 3.8250 7.6068 117.8056 63.9032 31.7581 177.6333 18 A 3.5050 7.6488 120.9976 55.0921 17.9930 179.3001 19 L 3.9127 7.4789 115.9255 58.3382 41.6925 179.3206 20 T 4.2649 7.1497 116.0823 65.7620 69.5157 175.3185 21 Y 4.8497 7.6798 118.2870 57.1166 36.4059 176.4387 22 I 4.5635 7.1653 119.9313 60.0606 41.5874 174.2529 23 Y 4.3694 8.4718 126.8095 59.2102 38.7081 176.1895 24 G 3.7727 8.5992 115.3832 44.9740 0.0000 172.8455 25 I 4.1272 7.8879 121.4481 59.1539 39.3629 174.9981 26 G 4.1026 7.9766 110.7897 41.7803 0.0000 172.7181 27 K 3.8105 8.5999 119.3020 60.1840 31.7086 177.5395 28 A 4.0179 7.9956 120.3701 55.1675 18.1173 178.8644 29 R 4.0688 7.5148 114.8301 58.0518 30.6255 178.3499 30 A 4.2963 7.9877 122.3756 54.1125 18.3254 178.9161 31 K 4.1778 8.0934 117.9309 57.4127 32.4369 178.8908 32 E 4.1931 7.9612 119.5329 59.1966 29.6241 177.6056 33 A 4.6636 8.1507 117.9894 52.9229 18.7732 178.4319 34 L 4.3509 7.7404 118.2472 55.8818 42.0641 178.3856 35 E 4.0595 7.6724 116.6389 58.7623 29.9329 178.8879 36 K 3.7561 7.7033 118.1767 58.7388 32.1969 177.9952 37 T 3.9428 7.2932 105.7311 61.3083 69.5078 174.4816 38 G 3.8943 7.4055 110.5069 47.1738 0.0000 173.7740 39 I 4.5212 7.4980 117.8660 58.7721 39.2128 175.8351 40 N 4.5102 8.5088 122.9637 52.7205 39.5706 173.5078 41 P 4.0285 0.0000 0.0000 65.7394 31.7952 177.3211 42 A 4.0807 8.1990 119.8587 55.3975 18.4015 178.3604 43 T 3.9621 7.3442 106.2315 62.2091 69.4861 174.5592 44 R 4.4025 8.6591 124.4078 56.3937 31.0507 177.6382 45 V 3.9235 8.6137 122.1032 64.6741 31.3743 177.3838 46 K 4.1514 8.1691 118.6625 59.4714 32.8609 176.8930 47 D 4.5851 7.7428 119.0208 51.7544 39.8512 173.6172 48 L 4.5128 8.3559 125.1547 55.0231 43.5188 176.3495 49 T 3.6269 7.8684 118.5556 60.4092 70.4060 174.0415 50 E 3.9608 9.0776 124.7593 59.6824 29.3909 179.7164 51 A 4.0189 7.8930 120.0640 55.0895 18.7670 179.0099 52 E 3.5436 8.2325 116.6473 59.7210 29.3483 179.9323 53 V 3.5641 7.7878 117.8836 65.8379 31.7405 177.9075 54 V 3.5515 7.5594 117.7541 66.2279 31.1649 177.5129 55 R 3.8651 8.7968 119.3208 59.6574 29.6351 177.9733 56 L 4.0007 7.7816 119.6039 58.1499 42.0171 178.8982 57 R 3.9284 8.3372 118.9625 59.7609 29.5611 177.6491 58 E 3.8941 8.5976 118.3856 60.8746 29.4136 178.3789 59 Y 4.0708 8.2156 118.8441 60.8445 38.5004 178.4466 60 V 3.1918 8.0533 116.7838 66.5373 31.7153 177.7659 61 E 4.0098 8.5757 121.2435 59.1223 29.5885 178.3562 62 N 4.6278 7.2704 113.3645 54.9159 39.9103 176.2067 63 T 3.4201 7.5297 116.9943 65.6479 68.8490 173.8872 64 W 5.0074 6.2569 118.9747 55.1869 30.2951 174.0989 65 K 4.7779 8.7901 118.2130 55.5818 34.4053 176.9827 66 L 4.4170 7.9935 123.8830 54.4902 43.9543 175.2571 67 E 3.9423 8.7008 124.3299 57.2303 29.9293 177.4737 68 G 4.1804 9.4668 120.5658 47.4554 0.0000 174.6946 69 E 3.8720 8.1635 120.1943 59.0296 29.5131 178.5880 70 L 4.1553 8.7803 120.5008 57.9693 42.2635 178.7919 71 R 4.2033 8.1812 118.0312 59.1627 30.0778 178.1694 72 A 4.0610 8.8170 121.9695 54.7938 18.3096 179.1891 73 E 3.9513 7.8017 116.8051 59.3024 29.6073 178.7443 74 V 3.5643 8.0048 118.1479 66.0587 31.7409 177.6426 75 A 3.9771 8.1545 119.8794 55.1540 18.1226 179.3163 76 A 3.9384 7.7762 118.6375 55.5211 18.4804 179.4403 77 N 4.2497 8.2687 114.8231 56.8152 38.4548 177.6570 78 I 3.9104 7.3468 119.4213 64.1700 37.2833 178.5526 79 K 4.0907 7.8865 119.1446 59.4745 31.9255 178.9722 80 R 3.8757 8.1158 119.1531 59.7435 29.9804 177.9718 81 L 4.2056 8.5207 117.3545 56.5962 41.2858 178.8462 82 M 3.9606 9.1518 118.4222 56.6986 31.9797 178.4304 83 D 4.3532 8.4259 110.5406 52.3707 43.7339 178.5383 84 I 3.8500 8.4897 120.1050 62.1049 37.6118 175.8696 85 G 4.2264 9.1816 111.1330 46.3889 0.0000 173.1477 86 C 4.3718 7.9852 115.8118 57.9853 31.4502 174.7157 87 Y 4.1328 9.0138 123.8622 61.4060 37.9977 178.9285 88 R 3.9855 8.3481 117.2818 59.2410 30.1866 178.2591 89 G 4.2609 8.4254 107.0731 48.9229 0.0000 175.5348 90 L 4.2463 7.7358 124.8848 54.4248 43.4657 179.4164 91 R 3.8051 8.4991 117.4459 58.6194 29.4888 177.5601 92 H 4.6055 8.9721 114.5906 57.3871 29.9628 177.7989 93 R 3.9170 7.9153 117.3757 59.5052 29.9316 178.0278 94 R 4.0176 7.9287 113.1304 56.4019 30.3039 177.1315 95 G 3.8581 7.5215 105.5488 46.2571 0.0000 173.7677 96 L 4.5192 7.6501 119.9907 51.8617 43.5307 174.6025 97 P 4.4097 0.0000 0.0000 63.1256 31.5431 176.9948 98 V 4.3796 8.1640 121.2265 62.6089 32.5151 176.1329 99 R 4.5172 7.8195 112.2471 56.7785 30.6324 177.7563 100 G 3.9310 8.1242 98.6311 46.8977 0.0000 171.2302 101 Q 4.5817 7.8364 122.8588 53.6750 33.0904 175.1216 102 R 4.1237 8.5109 118.2116 56.3777 29.9545 176.7330 103 T 4.1950 8.4378 112.9597 62.9124 69.8443 175.7074 104 R 3.9803 8.2495 122.4033 58.8893 29.9436 175.1547 105 T 4.7146 7.4116 104.4463 60.5034 72.9104 175.4281 106 N 3.7509 9.2190 118.0324 52.8223 38.6401 175.6193 107 A 3.7390 8.7684 130.2654 53.9511 16.3362 179.5166 108 R 3.9549 7.4968 119.0580 60.4223 30.3335 179.2739 109 T 3.8867 8.0575 113.6917 66.1410 68.4358 174.8057 110 R 4.7096 7.5033 118.7713 55.2219 30.6870 175.9491 111 K 4.6068 8.1039 116.2486 54.3736 36.3458 176.6589 112 G 3.8010 9.3077 111.6035 46.4500 0.0000 171.5257 113 P 3.1863 0.0000 0.0000 61.6289 32.5268 177.1782 114 R 4.5260 8.5481 119.0837 55.7052 34.7913 176.4501 115 K 4.2875 8.8240 125.6701 56.8072 30.0330 177.3968 116 T 2.9695 6.4050 111.4416 61.1386 70.1775 175.1238 117 V 3.5735 7.7563 121.8408 62.7414 32.2608 170.9671 118 A 4.7546 8.3557 124.7291 50.2365 21.2105 175.8647 119 G 4.1539 8.1748 109.8966 43.4301 0.0000 171.5151 120 K 3.9096 8.5375 118.7563 56.7568 32.3398 175.0265 121 K 4.5876 8.0753 120.3317 55.2812 35.4438 177.5274 *122 K 4.1215 8.5161 120.0878 55.4533 32.3269 171.3829 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 4.30 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 3 R 8.07 4.61 0.00 2.04 1.97 0.00 2.66 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 4 I 7.60 4.55 1.93 0.00 0.00 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 1.38 0.46 0.97 0.00 0.00 5 A 8.32 4.14 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 6 G 8.43 3.26 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 0.00 7 V 5.45 4.48 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 0.84 0.00 0.00 0.94 0.00 0.00 8 E 8.28 4.25 0.00 2.20 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 2.39 2.36 0.00 9 I 7.94 4.54 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.23 0.92 0.00 0.00 10 P 0.00 4.91 0.00 2.20 2.24 0.00 3.79 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 1.98 2.12 0.00 11 R 7.90 4.61 0.00 1.87 1.83 0.00 3.30 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 12 N 8.92 4.28 0.00 2.89 2.92 0.00 0.00 6.72 7.61 0.00 0.00 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 K 7.36 4.85 0.00 1.74 1.68 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.39 7.81 14 R 8.23 4.49 0.00 1.91 2.02 0.00 3.33 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 15 V 8.10 3.64 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 16 D 8.00 4.35 0.00 2.81 2.80 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 17 V 7.61 3.82 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 0.90 0.00 0.00 0.88 0.00 0.00 18 A 7.65 3.50 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 19 L 7.48 3.91 0.00 1.65 1.80 1.00 1.05 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 20 T 7.15 4.26 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 1.27 0.00 0.00 21 Y 7.68 4.85 0.00 3.08 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 I 7.17 4.56 2.01 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 1.40 0.63 1.05 0.00 0.00 23 Y 8.47 4.37 0.00 2.80 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 24 G 8.60 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.89 4.13 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.04 0.94 0.00 0.00 26 G 7.98 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 27 K 8.60 3.81 0.00 1.85 1.82 0.00 1.60 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.58 7.81 28 A 8.00 4.02 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 29 R 7.51 4.07 0.00 1.39 1.30 0.00 2.60 0.00 0.00 2.25 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.23 0.00 30 A 7.99 4.30 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 31 K 8.09 4.18 0.00 1.78 1.90 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.46 7.81 32 E 7.96 4.19 0.00 2.44 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 2.46 2.71 0.00 33 A 8.15 4.66 1.74 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 0.00 0.00 34 L 7.74 4.35 0.00 1.72 1.85 0.93 0.89 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 35 E 7.67 4.06 0.00 2.20 2.18 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 2.40 2.27 0.00 36 K 7.70 3.76 0.00 0.79 1.01 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.24 1.03 7.81 37 T 7.29 3.94 4.21 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 1.20 0.00 0.00 38 G 7.41 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 0.00 0.00 0.00 39 I 7.50 4.52 1.87 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 1.33 0.89 0.91 0.00 0.00 40 N 8.51 4.51 0.00 2.79 2.67 0.00 0.00 7.20 7.71 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 41 P 0.00 4.03 0.00 2.07 2.22 0.00 3.77 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 2.03 2.09 0.00 42 A 8.20 4.08 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 43 T 7.34 3.96 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 44 R 8.66 4.40 0.00 1.97 1.90 0.00 3.46 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.58 0.00 45 V 8.61 3.92 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 0.98 0.00 0.00 46 K 8.17 4.15 0.00 1.91 1.94 0.00 1.61 0.00 0.00 1.76 0.00 0.00 3.22 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.43 7.81 47 D 7.74 4.59 0.00 2.68 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 48 L 8.36 4.51 0.00 1.96 1.64 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.87 3.63 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 1.23 0.00 0.00 50 E 9.08 3.96 0.00 1.97 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 2.41 2.34 0.00 51 A 7.89 4.02 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 52 E 8.23 3.54 0.00 2.23 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 2.40 2.39 0.00 53 V 7.79 3.56 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 1.08 0.00 0.00 1.05 0.00 0.00 54 V 7.56 3.55 2.21 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 1.02 0.00 0.00 1.03 0.00 0.00 55 R 8.80 3.87 0.00 1.94 2.09 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 56 L 7.78 4.00 0.00 2.03 1.90 1.00 0.95 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 57 R 8.34 3.93 0.00 1.99 2.17 0.00 3.19 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 58 E 8.60 3.89 0.00 2.10 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 0.00 2.58 2.50 0.00 59 Y 8.22 4.07 0.00 2.89 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 60 V 8.05 3.19 2.20 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 1.13 0.00 0.00 1.15 0.00 0.00 61 E 8.58 4.01 0.00 2.01 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 2.33 2.40 0.00 62 N 7.27 4.63 0.00 2.58 2.73 0.00 0.00 6.99 7.42 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 63 T 7.53 3.42 2.69 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 -0.22 0.00 0.00 64 W 6.26 5.01 0.00 3.29 3.21 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 65 K 8.79 4.78 0.00 1.76 1.75 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.55 7.81 66 L 7.99 4.42 0.00 1.82 1.63 1.18 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.70 3.94 0.00 2.23 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 2.58 2.47 0.00 68 G 9.47 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 0.00 0.00 0.00 0.00 69 E 8.16 3.87 0.00 2.19 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 2.41 2.36 0.00 70 L 8.78 4.16 0.00 1.86 1.89 0.81 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.18 4.20 0.00 2.04 2.03 0.00 2.98 0.00 0.00 2.76 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 72 A 8.82 4.06 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 73 E 7.80 3.95 0.00 2.14 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 2.32 2.32 0.00 74 V 8.00 3.56 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 0.99 0.00 0.00 1.05 0.00 0.00 75 A 8.15 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.78 3.94 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 77 N 8.27 4.25 0.00 2.89 2.91 0.00 0.00 7.09 6.87 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 78 I 7.35 3.91 2.03 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 1.49 0.57 0.79 0.00 0.00 79 K 7.89 4.09 0.00 2.01 1.85 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.67 7.81 80 R 8.12 3.88 0.00 1.87 2.13 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 81 L 8.52 4.21 0.00 1.89 1.72 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 82 M 9.15 3.96 0.00 2.35 2.19 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.68 0.00 83 D 8.43 4.35 0.00 2.87 2.20 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 0.00 84 I 8.49 3.85 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 1.35 0.81 0.92 0.00 0.00 85 G 9.18 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 0.00 0.00 0.00 0.00 86 C 7.99 4.37 0.00 3.17 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 87 Y 9.01 4.13 0.00 3.11 3.01 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 88 R 8.35 3.99 0.00 1.97 2.01 0.00 3.33 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 89 G 8.43 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 0.00 0.00 0.00 90 L 7.74 4.25 0.00 1.44 1.46 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.50 3.81 0.00 1.74 2.00 0.00 2.95 0.00 0.00 2.61 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.85 0.00 92 H 8.97 4.61 0.00 3.53 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.92 3.92 0.00 1.75 1.97 0.00 3.33 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 94 R 7.93 4.02 0.00 1.72 1.94 0.00 3.35 0.00 0.00 3.20 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 95 G 7.52 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 96 L 7.65 4.52 0.00 1.58 1.61 0.90 0.94 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 97 P 0.00 4.41 0.00 2.04 1.99 0.00 3.61 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 2.03 2.07 0.00 98 V 8.16 4.38 1.98 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 0.78 0.00 0.00 0.72 0.00 0.00 99 R 7.82 4.52 0.00 1.78 1.81 0.00 3.39 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 100 G 8.12 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 0.00 0.00 0.00 101 Q 7.84 4.58 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 102 R 8.51 4.12 0.00 1.92 1.96 0.00 3.03 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 103 T 8.44 4.20 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 0.00 104 R 8.25 3.98 0.00 1.79 2.03 0.00 3.18 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 105 T 7.41 4.71 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 0.00 106 N 9.22 3.75 0.00 2.85 2.44 0.00 0.00 6.74 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 0.00 107 A 8.77 3.74 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 0.00 108 R 7.50 3.95 0.00 2.07 2.00 0.00 3.28 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 109 T 8.06 3.89 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 0.00 110 R 7.50 4.71 0.00 1.75 2.17 0.00 3.16 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 111 K 8.10 4.61 0.00 1.69 1.64 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.59 7.81 112 G 9.31 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 0.00 113 P 0.00 3.19 0.00 2.09 1.90 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 114 R 8.55 4.53 0.00 1.74 1.79 0.00 3.19 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 115 K 8.82 4.29 0.00 1.72 1.77 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.51 7.81 116 T 6.41 2.97 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 0.00 117 V 7.76 3.57 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 1.03 0.00 0.00 118 A 8.36 4.75 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 0.00 119 G 8.17 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 0.00 0.00 0.00 0.00 120 K 8.54 3.91 0.00 1.75 1.82 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.50 7.81 121 K 8.08 4.59 0.00 1.69 1.72 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.38 7.81 *122 K 8.52 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.