NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7774 8.1633 120.2789 55.2794 33.9315 174.0747 2 K 4.5842 9.0012 121.9631 53.8324 37.5898 173.5195 3 L 4.9952 10.0364 126.1931 53.5665 45.0298 174.8348 4 I 4.7872 8.8928 128.7204 60.1826 39.0132 175.0235 5 V 4.9276 9.2878 127.7594 61.1786 33.6328 174.0149 6 A 5.1944 9.1353 130.2181 50.1403 22.2386 174.5055 7 I 4.8285 8.6753 123.1983 59.7723 39.6440 175.3951 8 V 4.9395 8.6826 119.6500 59.0246 36.5764 175.4666 9 R 4.3250 8.3901 120.4151 55.5987 30.8229 176.5007 10 P 4.2491 0.0000 0.0000 65.6449 31.4796 178.0365 11 E 4.2308 8.1475 113.4748 57.5874 29.8655 177.6457 12 K 4.4347 8.0126 118.8854 56.0608 33.0357 177.4276 13 L 3.9230 7.5542 121.6050 58.4594 42.0042 178.3425 14 N 4.2734 8.2080 115.5200 56.5285 38.4791 177.0026 15 E 3.9542 8.1166 119.0887 59.3713 29.6020 179.2588 16 V 3.5944 7.9309 118.2582 66.2439 31.5595 177.9582 17 L 4.0277 8.4838 118.8056 57.7901 41.3837 179.8121 18 K 4.0184 8.2725 118.1525 59.4834 32.0540 179.3044 19 A 4.0568 8.2493 121.1072 55.0309 18.1826 179.7680 20 L 3.9684 8.2553 117.7187 57.8772 41.7514 179.3431 21 F 4.1096 8.4744 120.7148 61.4969 39.1108 176.9515 22 Q 4.0057 8.2795 117.7324 58.8770 28.8720 177.1383 23 A 4.3337 7.5953 118.9597 51.7414 18.3998 177.0622 24 E 3.4770 7.7357 116.4533 57.8687 27.3471 174.9549 25 V 4.1514 8.0383 120.2262 61.6819 31.1047 174.9644 26 R 4.4810 8.3393 126.3932 56.9435 31.6584 177.6338 27 G 3.7448 7.9820 107.4885 45.3030 0.0000 172.3818 28 L 4.6518 7.8129 123.0533 55.5580 43.1050 174.0046 29 T 4.9300 8.6528 116.1759 61.9092 72.6003 173.0861 30 L 5.7132 8.6313 123.5158 54.4290 43.9759 174.6863 31 S 4.6685 8.3595 112.7423 57.6253 66.4857 172.9268 32 R 4.9230 8.4368 119.5212 55.4589 31.2800 176.2789 33 V 4.6517 8.8215 115.3720 59.9527 36.9042 173.9501 34 Q 5.0752 8.7118 120.1228 54.3660 31.0685 175.5685 35 G 4.3825 9.4659 109.9585 45.0127 0.0000 170.5368 36 H 5.2569 8.7855 118.8153 54.2543 33.4312 173.0081 37 G 4.0450 8.2557 113.2425 43.5523 0.0000 174.5219 38 G 3.8288 8.4708 107.3008 47.3510 0.0000 173.6870 39 E 4.6544 7.4859 117.8093 54.6844 33.3752 175.4809 40 T 4.0632 8.1745 112.6684 60.6712 70.3634 174.1495 *54 E 3.9796 8.2994 119.7269 56.4205 29.3613 175.5547 55 L 4.8825 8.0727 123.1267 53.6948 44.0554 175.8793 56 H 5.0383 9.0809 117.6753 53.7663 32.6426 172.9193 57 E 4.6519 8.8347 122.8147 56.4654 30.4419 175.6707 58 K 4.8471 9.2701 124.6793 55.0341 37.7728 174.8407 59 V 4.6672 8.8000 121.3066 61.2571 34.1151 174.0666 60 R 4.9464 9.0231 128.9616 54.9114 31.7348 174.5622 61 L 5.0810 9.2987 127.2726 53.1724 44.4827 175.3014 62 E 4.9776 9.4774 123.9591 54.5864 32.6238 174.6026 63 I 4.7636 9.2277 128.7099 59.3745 40.4332 175.0341 64 G 4.2217 8.7395 115.3126 45.7457 0.0000 172.7290 65 V 4.7913 8.7425 117.7890 59.4375 36.7771 175.4561 66 S 4.7138 8.4627 116.7084 57.5941 64.5076 174.9445 67 E 3.9838 9.0260 120.9041 59.6099 28.9519 178.1261 68 P 4.3481 0.0000 0.0000 64.7814 31.6795 177.5027 69 F 4.4604 8.2949 115.2329 57.2904 39.1237 177.7443 70 V 3.5875 7.8522 119.7227 65.9348 31.4367 177.7310 71 K 3.8700 8.0241 117.4789 59.2666 31.9354 177.2758 72 P 4.2455 0.0000 0.0000 65.8761 31.2903 178.8617 73 T 3.8883 7.9244 114.3787 66.6151 68.3383 176.9410 74 V 3.5631 8.0742 120.4724 65.9998 31.6921 177.5590 75 E 3.8760 8.7151 119.1578 59.2949 29.4548 178.6138 76 A 4.0308 8.2577 120.9199 55.2494 18.3490 179.7733 77 I 3.6987 7.7700 118.1854 64.5264 37.0201 178.6359 78 L 3.9562 7.9889 118.9079 57.4486 41.4028 179.6210 79 K 4.1166 7.7224 117.1242 59.3966 32.3467 178.9840 80 A 4.1339 7.8119 119.3076 54.5972 18.4539 178.7300 81 A 4.2334 8.0205 117.0122 52.0696 19.4924 177.7492 82 R 4.3158 7.3491 117.9087 56.2842 30.8445 176.0452 83 T 4.4900 9.1526 111.6327 60.3253 70.4884 175.1732 84 G 3.9198 8.8126 109.3625 45.3037 0.0000 172.7144 85 E 4.6699 7.6490 118.8662 53.7497 32.0010 175.6852 86 V 3.6096 8.0514 120.8044 64.5221 31.0948 176.1963 87 G 4.0994 9.0642 113.0614 45.5221 0.0000 175.2414 88 D 4.3360 7.5167 118.8642 55.9166 41.0297 176.2172 89 G 4.2789 7.9646 99.6966 45.1255 0.0000 171.8812 90 K 4.5893 8.1199 115.6921 54.8457 37.1852 175.5030 91 I 4.7906 7.7983 121.2178 59.6271 40.1284 175.0305 92 F 4.8202 9.4571 126.4790 55.6732 41.4283 174.8239 93 V 4.5669 8.6130 124.1148 61.5271 32.4301 174.5371 94 L 4.8777 8.9880 129.4801 52.3060 43.7882 174.6946 95 P 4.7054 0.0000 0.0000 62.8269 32.3016 175.6430 96 V 4.3544 7.8825 121.7825 61.3203 33.3243 175.1784 97 E 4.1032 9.0833 128.6881 58.9219 29.9793 176.1076 98 K 4.6371 7.3197 115.6625 55.5020 35.3289 174.7191 99 V 4.5727 8.5298 124.1812 61.2700 35.0250 173.6875 100 Y 5.1490 8.7266 123.8763 56.1841 41.0682 174.8061 101 R 4.3841 9.0330 124.9036 55.0833 31.0480 177.0519 102 I 3.7210 8.6687 127.9454 64.6008 37.5431 177.5599 103 R 4.0312 8.1365 119.0478 59.1803 30.0055 177.1718 104 T 4.1755 7.9089 105.1807 61.1911 69.6429 175.5985 105 G 3.9713 8.5307 110.0653 45.8088 0.0000 173.4096 106 E 4.3873 7.7966 119.7072 55.8703 30.7100 175.5870 107 E 4.9296 8.6648 121.0764 54.5183 32.1056 174.7997 108 D 5.0579 8.9348 122.5825 52.8149 43.9235 176.6205 109 E 4.4050 8.6959 117.5475 55.7359 32.3392 175.5598 110 A 4.1520 8.0396 125.6764 52.3565 18.4095 177.0268 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 M 8.16 4.78 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 2 K 9.00 4.58 0.00 1.64 1.66 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.62 7.81 3 L 10.04 5.00 0.00 1.71 1.53 0.94 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.89 4.79 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.55 0.95 0.00 0.00 5 V 9.29 4.93 2.32 0.00 0.00 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 0.99 0.00 0.00 6 A 9.14 5.19 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 7 I 8.68 4.83 1.93 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.14 0.96 0.00 0.00 8 V 8.68 4.94 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 0.77 0.00 0.00 1.00 0.00 0.00 9 R 8.39 4.32 0.00 1.87 2.06 0.00 3.13 0.00 0.00 3.50 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 10 P 0.00 4.25 0.00 2.18 2.11 0.00 3.60 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 11 E 8.15 4.23 0.00 2.07 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 0.00 2.27 2.27 0.00 12 K 8.01 4.43 0.00 1.93 1.85 0.00 1.95 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.36 1.55 7.81 13 L 7.55 3.92 0.00 1.77 1.76 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.21 4.27 0.00 2.80 2.86 0.00 0.00 7.02 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 15 E 8.12 3.95 0.00 2.15 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 2.40 2.37 0.00 16 V 7.93 3.59 2.26 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 1.13 0.00 0.00 1.00 0.00 0.00 17 L 8.48 4.03 0.00 1.83 1.72 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.27 4.02 0.00 2.03 1.90 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.72 7.81 19 A 8.25 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 20 L 8.26 3.97 0.00 1.95 1.95 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.47 4.11 0.00 3.26 3.27 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 22 Q 8.28 4.01 0.00 2.24 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.07 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 23 A 7.60 4.33 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 24 E 7.74 3.48 0.00 2.36 2.17 0.00 0.00 0.00 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 2.21 0.00 25 V 8.04 4.15 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 0.82 0.00 0.00 1.10 0.00 0.00 26 R 8.34 4.48 0.00 1.84 2.06 0.00 3.25 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 27 G 7.98 3.74 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 0.00 28 L 7.81 4.65 0.00 1.60 1.62 0.94 0.67 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 29 T 8.65 4.93 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 1.22 0.00 0.00 30 L 8.63 5.71 0.00 1.68 1.59 0.93 0.66 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 31 S 8.36 4.67 0.00 3.88 3.97 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 32 R 8.44 4.92 0.00 1.72 1.90 0.00 3.32 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 33 V 8.82 4.65 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 0.78 0.00 0.00 1.00 0.00 0.00 34 Q 8.71 5.08 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 35 G 9.47 4.38 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 0.00 36 H 8.79 5.26 0.00 3.10 3.16 0.00 5.91 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.26 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.47 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.49 4.65 0.00 2.00 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 2.23 2.22 0.00 40 T 8.17 4.06 4.27 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 1.26 0.00 0.00 *54 E 8.30 3.98 0.00 2.00 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 2.22 2.40 0.00 55 L 8.07 4.88 0.00 1.49 1.59 0.90 1.09 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 56 H 9.08 5.04 0.00 3.01 3.14 0.00 5.61 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 57 E 8.83 4.65 0.00 2.00 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 2.31 2.51 0.00 58 K 9.27 4.85 0.00 1.66 1.79 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.57 1.55 7.81 59 V 8.80 4.67 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 1.03 0.00 0.00 0.94 0.00 0.00 60 R 9.02 4.95 0.00 1.94 1.80 0.00 3.16 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 61 L 9.30 5.08 0.00 1.67 1.57 1.01 0.82 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 62 E 9.48 4.98 0.00 1.97 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 2.20 2.27 0.00 63 I 9.23 4.76 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.53 1.01 0.00 0.00 64 G 8.74 4.22 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 0.00 65 V 8.74 4.79 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.04 0.00 0.00 66 S 8.46 4.71 0.00 4.05 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 67 E 9.03 3.98 0.00 2.03 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 2.48 2.39 0.00 68 P 0.00 4.35 0.00 2.16 2.10 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 69 F 8.29 4.46 0.00 3.22 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 70 V 7.85 3.59 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 1.15 0.00 0.00 1.07 0.00 0.00 71 K 8.02 3.87 0.00 1.79 1.83 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.54 7.81 72 P 0.00 4.25 0.00 2.08 2.00 0.00 3.61 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.05 0.00 73 T 7.92 3.89 4.43 0.00 0.00 0.00 0.00 0.00 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 74 V 8.07 3.56 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 1.07 0.00 0.00 1.00 0.00 0.00 75 E 8.72 3.88 0.00 2.17 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 2.29 2.37 0.00 76 A 8.26 4.03 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 77 I 7.77 3.70 1.98 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 1.54 0.80 0.91 0.00 0.00 78 L 7.99 3.96 0.00 1.74 1.72 0.90 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 79 K 7.72 4.12 0.00 1.90 1.86 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.70 7.81 80 A 7.81 4.13 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 81 A 8.02 4.23 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 82 R 7.35 4.32 0.00 1.90 1.83 0.00 3.17 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 83 T 9.15 4.49 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 1.25 0.00 0.00 84 G 8.81 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 85 E 7.65 4.67 0.00 2.01 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 0.00 2.22 2.34 0.00 86 V 8.05 3.61 2.06 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 0.75 0.00 0.00 0.92 0.00 0.00 87 G 9.06 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 88 D 7.52 4.34 0.00 2.67 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 89 G 7.96 4.28 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 0.00 90 K 8.12 4.59 0.00 1.28 1.00 0.00 1.56 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.36 7.81 91 I 7.80 4.79 1.76 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 1.29 0.52 0.89 0.00 0.00 92 F 9.46 4.82 0.00 3.01 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 93 V 8.61 4.57 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 0.83 0.00 0.00 0.96 0.00 0.00 94 L 8.99 4.88 0.00 1.69 1.57 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.71 0.00 2.08 2.06 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 96 V 7.88 4.35 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 0.80 0.00 0.00 0.92 0.00 0.00 97 E 9.08 4.10 0.00 1.98 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 2.30 2.30 0.00 98 K 7.32 4.64 0.00 1.72 1.59 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.65 1.34 7.81 99 V 8.53 4.57 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 0.91 0.00 0.00 0.91 0.00 0.00 100 Y 8.73 5.15 0.00 2.80 2.82 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 0.00 101 R 9.03 4.38 0.00 1.86 1.82 0.00 3.25 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 102 I 8.67 3.72 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 1.31 0.68 0.91 0.00 0.00 103 R 8.14 4.03 0.00 1.77 1.96 0.00 3.23 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 1.62 0.00 104 T 7.91 4.18 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 0.00 105 G 8.53 3.97 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 0.00 0.00 0.00 106 E 7.80 4.39 0.00 1.96 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 0.00 2.33 2.42 0.00 107 E 8.66 4.93 0.00 1.48 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 2.14 2.22 0.00 108 D 8.93 5.06 0.00 2.45 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 0.00 109 E 8.70 4.41 0.00 1.84 1.88 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 2.11 2.17 0.00 110 A 8.04 4.15 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 * Residues marked with a * may have inaccurate shift predictions.