NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.2812 8.2993 120.1451 56.4251 33.4348 175.0551 12 F 4.6621 9.0193 115.8268 54.8154 37.8353 174.2906 13 R 3.9714 8.8815 126.1491 58.5527 32.3913 180.6565 14 V 3.3179 7.7161 115.4373 62.9604 30.4457 172.6241 15 R 3.7189 8.7626 110.0935 57.1494 27.4292 176.5063 16 N 4.4870 7.9523 115.4197 55.6823 39.9532 177.4593 17 R 4.0381 7.3579 114.9502 56.7841 30.5306 177.3774 18 I 3.3979 8.4135 114.8152 62.4685 35.8946 173.8174 19 K 4.3343 8.0547 119.1708 55.8590 32.6731 176.4710 20 R 4.2504 7.7263 116.9326 56.8251 28.6019 175.6457 21 T 4.6859 8.2196 120.2458 63.2588 69.9678 174.9767 22 G 4.0125 8.2210 107.3966 44.2722 0.0000 173.2587 23 R 3.2746 8.8867 117.8389 57.2103 29.2560 174.0668 24 L 3.6383 8.0927 122.3149 55.0391 38.1963 172.4457 25 R 4.5696 8.8792 122.2475 54.9781 31.5536 176.1645 26 L 4.9182 8.4109 128.5256 53.7196 40.2259 175.4532 27 S 4.3481 8.8944 117.8602 57.7983 64.1560 172.9876 28 V 5.0692 8.2937 124.6978 61.1336 35.2353 173.7597 29 F 5.2476 9.0933 127.4118 56.5506 42.6491 173.1225 30 R 4.7368 9.1610 125.9220 54.5726 32.1029 174.7599 31 S 4.6126 7.8728 120.6792 56.0291 64.5635 173.8827 32 L 4.1201 8.3320 123.0663 57.4211 41.6946 179.1162 33 K 4.2879 7.9678 117.2143 58.5521 33.1413 175.7917 34 H 5.1938 7.3141 117.5308 55.5395 30.9438 171.9616 35 I 4.5289 7.8014 118.3637 61.6565 41.3633 174.1541 36 Y 5.2898 9.5633 126.6696 56.3289 42.1752 174.4477 37 A 5.2880 8.4787 121.3729 50.7755 22.9867 175.0873 38 Q 4.7716 9.3851 121.1165 54.1703 33.1040 174.7097 39 I 4.7712 8.5006 124.9550 60.3908 38.3081 174.4118 40 I 4.7193 9.0611 129.3074 59.5966 39.6126 174.9471 41 D 4.8097 8.7861 127.1817 52.6367 41.6023 176.4564 42 D 4.7082 8.1268 125.8165 55.0449 41.7768 177.0660 43 E 3.9113 9.0266 118.7548 57.7579 27.3129 174.7238 44 K 4.4618 8.2225 114.6594 55.6414 39.6038 175.8127 45 G 3.9482 7.4708 105.9216 45.4811 0.0000 173.0449 46 V 4.3697 6.9560 116.8438 62.1146 35.0605 172.4625 47 T 4.8509 8.2567 122.4406 62.0616 69.5527 174.7901 48 L 4.0967 8.5464 127.6149 57.3191 42.2570 177.2272 49 V 4.7474 7.2019 116.3988 61.3188 35.5625 173.5232 50 S 5.0218 8.3754 114.8034 57.7942 65.1965 175.5486 51 A 4.8056 8.6488 123.9980 50.5166 19.4617 175.3997 52 S 3.9228 8.1788 115.0918 58.6438 64.5404 174.0053 53 S 4.1964 8.6924 117.4945 59.0677 61.0419 176.5354 54 L 4.5265 5.6200 124.8683 56.5772 41.9433 178.2165 55 A 4.4159 7.5001 119.7787 52.2017 17.9061 177.8740 56 L 4.4435 7.6983 117.2754 56.2442 44.3035 177.6322 57 K 3.4832 8.8121 118.0831 58.3489 31.3740 171.5724 58 L 3.8569 8.0130 125.1436 56.5419 42.6180 173.8340 59 K 4.1219 7.2310 122.3234 54.9044 34.6741 173.8590 60 G 3.9634 8.1669 107.5643 46.0270 0.0000 173.3528 61 N 4.4088 8.0126 117.4799 53.5836 39.2766 173.3078 62 K 4.1193 7.9914 121.7118 56.5597 32.5243 179.2281 63 T 3.0128 7.9689 101.8835 63.4472 70.4178 174.9523 64 E 3.9434 8.8675 120.4353 59.0505 30.3177 178.4109 65 V 4.3893 8.1874 118.1592 65.0039 31.3463 177.7543 66 A 4.0507 8.8218 121.7504 54.8362 18.5568 179.3542 67 R 3.8622 7.7449 116.2553 59.6920 30.1120 179.0509 68 Q 3.9534 8.0577 117.0650 59.1088 28.4103 179.2736 69 V 3.6960 7.6169 119.9666 64.4511 31.0257 178.3929 70 G 3.6401 8.0766 106.8741 47.7278 0.0000 176.0403 71 R 4.0547 8.6216 121.4947 58.4060 30.0609 179.1192 72 A 3.9883 8.3174 121.2378 54.8244 18.3416 179.4070 73 L 3.8821 7.5805 117.5077 58.2536 42.2960 178.4798 74 A 3.9910 8.5835 120.9454 55.9315 18.1143 178.9663 75 E 4.0749 8.4861 117.5116 59.0651 29.4518 179.7725 76 K 3.7898 8.1485 118.0989 60.4519 32.3556 178.1449 77 A 4.0931 8.4833 122.0642 53.7037 17.9664 178.9391 78 L 3.4646 8.0336 120.1579 57.0377 42.3795 178.7942 79 A 4.3192 7.4210 119.1018 53.2390 18.5671 177.3965 80 L 4.7436 8.6458 117.9584 54.2415 42.8730 179.1756 81 G 4.0346 8.6070 106.1893 45.9639 0.0000 175.1426 82 I 3.8531 7.2419 120.5788 62.3072 38.0125 174.3707 83 K 4.6418 8.4798 122.9106 57.4048 40.3500 175.0687 84 Q 4.7201 8.1531 123.6295 55.2317 29.1527 174.7861 85 V 4.8336 8.3857 117.8345 59.8627 37.0766 173.9883 86 A 5.0391 8.9059 123.4497 50.0808 21.8466 176.3356 87 F 5.1030 8.8320 123.5733 57.8349 41.1583 175.0316 88 D 3.8723 6.0805 126.0860 52.2934 46.5566 174.8601 89 R 4.0242 7.4101 127.5708 54.5467 31.7746 175.3414 90 G 3.7968 8.8559 112.0557 46.4917 0.0000 173.1756 91 P 4.1323 0.0000 0.0000 65.8916 31.0641 181.2419 92 Y 3.3711 8.1808 112.7798 55.4540 41.9289 173.2299 93 K 3.0782 7.2740 126.6690 54.9173 30.4520 172.4009 94 Y 3.9578 5.9443 118.9924 58.2596 38.6147 174.8860 95 H 4.1801 8.5875 125.6278 55.9138 33.3707 176.9056 96 G 3.5135 8.0302 111.2064 46.3315 0.0000 174.9973 97 R 3.9299 8.8259 111.9068 56.2337 30.4267 177.8394 98 V 3.5171 9.2924 117.1984 64.0506 32.2634 176.3436 99 K 4.4917 8.1277 123.6186 54.9929 31.7629 177.5847 100 A 4.3860 7.4387 125.1842 50.1372 17.9163 176.5835 101 L 4.8009 7.3718 120.5885 52.6449 44.2487 180.3205 102 A 4.5089 8.2583 121.5269 49.6853 18.7272 177.7001 103 E 3.6057 8.7488 116.9271 58.3368 28.9780 177.7913 104 G 3.8743 8.6456 112.6760 46.0275 0.0000 173.3172 105 A 4.7286 8.8261 124.9438 50.8808 18.0467 178.3095 106 R 4.8194 7.6692 119.7125 55.8358 31.1889 176.3445 107 E 3.7349 8.1372 109.3452 58.0510 26.1466 173.8844 108 G 3.8004 7.9611 107.8825 46.0684 0.0000 170.5138 *109 G 3.7078 8.0665 112.2117 45.5919 0.0000 172.3136 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 11 K 8.30 4.28 0.00 1.87 1.94 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.48 7.81 12 F 9.02 4.66 0.00 3.24 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 13 R 8.88 3.97 0.00 1.81 2.01 0.00 3.54 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 14 V 7.72 3.32 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 0.64 0.00 0.00 0.57 0.00 0.00 15 R 8.76 3.72 0.00 1.90 1.89 0.00 3.34 0.00 0.00 3.12 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.51 0.00 16 N 7.95 4.49 0.00 2.32 2.54 0.00 0.00 7.21 7.66 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 17 R 7.36 4.04 0.00 1.88 1.95 0.00 2.95 0.00 0.00 3.22 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 18 I 8.41 3.40 1.80 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 1.24 0.63 0.87 0.00 0.00 19 K 8.05 4.33 0.00 1.64 1.93 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.34 7.81 20 R 7.73 4.25 0.00 1.79 1.86 0.00 3.28 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 21 T 8.22 4.69 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 1.20 0.00 0.00 22 G 8.22 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 0.00 0.00 0.00 23 R 8.89 3.27 0.00 1.91 1.89 0.00 3.34 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 24 L 8.09 3.64 0.00 1.95 1.75 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.88 4.57 0.00 1.84 1.82 0.00 3.03 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 26 L 8.41 4.92 0.00 1.77 1.89 1.23 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.89 4.35 0.00 3.93 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 28 V 8.29 5.07 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 1.10 0.00 0.00 1.14 0.00 0.00 29 F 9.09 5.25 0.00 2.96 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 30 R 9.16 4.74 0.00 1.88 1.84 0.00 3.31 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 31 S 7.87 4.61 0.00 3.39 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 32 L 8.33 4.12 0.00 1.66 1.71 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.97 4.29 0.00 1.61 1.68 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.49 7.81 34 H 7.31 5.19 0.00 3.28 2.95 0.00 5.67 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.80 4.53 1.91 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 1.45 1.34 0.92 0.00 0.00 36 Y 9.56 5.29 0.00 2.94 2.92 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 37 A 8.48 5.29 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 38 Q 9.39 4.77 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 39 I 8.50 4.77 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.19 0.94 0.00 0.00 40 I 9.06 4.72 1.86 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 1.12 0.94 0.93 0.00 0.00 41 D 8.79 4.81 0.00 2.79 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 42 D 8.13 4.71 0.00 2.80 2.61 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 0.00 0.00 0.00 0.00 43 E 9.03 3.91 0.00 2.11 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 2.20 2.25 0.00 44 K 8.22 4.46 0.00 2.10 1.76 0.00 2.03 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.38 7.81 45 G 7.47 3.95 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 0.00 0.00 0.00 46 V 6.96 4.37 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 1.01 0.00 0.00 0.95 0.00 0.00 47 T 8.26 4.85 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 1.37 0.00 0.00 48 L 8.55 4.10 0.00 1.66 1.73 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.20 4.75 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 1.06 0.00 0.00 0.95 0.00 0.00 50 S 8.38 5.02 0.00 3.92 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 51 A 8.65 4.81 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 52 S 8.18 3.92 0.00 3.38 3.79 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 0.00 0.00 0.00 53 S 8.69 4.20 0.00 3.89 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 54 L 5.62 4.53 0.00 0.79 1.40 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.50 4.42 1.15 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 56 L 7.70 4.44 0.00 1.53 1.85 0.89 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.81 3.48 0.00 1.94 1.62 0.00 1.71 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.29 1.33 7.81 58 L 8.01 3.86 0.00 1.77 1.68 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.23 4.12 0.00 1.83 2.04 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.43 7.81 60 G 8.17 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 61 N 8.01 4.41 0.00 2.68 2.73 0.00 0.00 6.86 6.68 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 62 K 7.99 4.12 0.00 1.75 1.59 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.34 1.52 7.81 63 T 7.97 3.01 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 1.16 0.00 0.00 64 E 8.87 3.94 0.00 2.07 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 0.00 2.37 2.45 0.00 65 V 8.19 4.39 2.35 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 1.03 0.00 0.00 0.95 0.00 0.00 66 A 8.82 4.05 1.37 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 0.00 0.00 67 R 7.74 3.86 0.00 2.15 2.00 0.00 3.29 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 68 Q 8.06 3.95 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 69 V 7.62 3.70 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 1.02 0.00 0.00 70 G 8.08 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 0.00 0.00 0.00 71 R 8.62 4.05 0.00 1.81 2.02 0.00 3.12 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.95 0.00 72 A 8.32 3.99 1.37 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 0.00 0.00 73 L 7.58 3.88 0.00 2.03 1.74 1.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.58 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.49 4.07 0.00 2.17 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 2.34 2.44 0.00 76 K 8.15 3.79 0.00 1.90 1.92 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.73 7.81 77 A 8.48 4.09 1.37 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 0.00 0.00 78 L 8.03 3.46 0.00 1.68 1.79 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.42 4.32 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 80 L 8.65 4.74 0.00 1.72 1.61 0.99 0.82 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 81 G 8.61 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 82 I 7.24 3.85 1.90 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 1.49 0.86 0.93 0.00 0.00 83 K 8.48 4.64 0.00 1.64 1.77 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.36 7.81 84 Q 8.15 4.72 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 85 V 8.39 4.83 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 0.66 0.00 0.00 1.00 0.00 0.00 86 A 8.91 5.04 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 87 F 8.83 5.10 0.00 3.04 3.09 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 0.00 88 D 6.08 3.87 0.00 2.41 1.54 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 89 R 7.41 4.02 0.00 1.85 2.06 0.00 3.72 0.00 0.00 3.17 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 90 G 8.86 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 91 P 0.00 4.13 0.00 2.50 2.84 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 92 Y 8.18 3.37 0.00 3.25 3.34 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 93 K 7.27 3.08 0.00 1.91 1.93 0.00 1.64 0.00 0.00 1.60 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.38 7.81 94 Y 5.94 3.96 0.00 2.71 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 95 H 8.59 4.18 0.00 3.00 3.21 0.00 6.12 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.03 3.51 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 0.00 97 R 8.83 3.93 0.00 1.91 2.05 0.00 3.18 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 98 V 9.29 3.52 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 0.63 0.00 0.00 0.26 0.00 0.00 99 K 8.13 4.49 0.00 1.71 1.75 0.00 1.94 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.52 7.81 100 A 7.44 4.39 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 0.00 101 L 7.37 4.80 0.00 1.73 1.64 0.93 0.57 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 0.00 102 A 8.26 4.51 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 0.00 103 E 8.75 3.61 0.00 2.14 1.12 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 0.00 2.31 2.23 0.00 104 G 8.65 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 0.00 105 A 8.83 4.73 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 0.00 106 R 7.67 4.82 0.00 1.87 2.00 0.00 3.44 0.00 0.00 3.77 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 107 E 8.14 3.73 0.00 2.05 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 2.25 2.35 0.00 108 G 7.96 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 *109 G 8.07 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 * Residues marked with a * may have inaccurate shift predictions.