NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3044 0.0000 0.0000 61.9867 32.4775 176.5117 3 K 3.7953 8.5529 119.6684 55.5030 30.5268 173.8562 4 K 3.9421 8.3190 123.7488 55.9064 33.8652 174.3934 5 V 4.9370 8.4469 126.9500 61.3128 33.9929 174.3823 6 L 4.9340 8.7333 124.7622 53.2813 46.3170 175.4762 7 T 5.0305 7.9787 116.2221 62.1546 72.0703 173.6701 8 G 3.9208 8.5229 111.7117 46.2447 0.0000 171.5105 9 V 4.8284 7.8223 119.8230 60.9216 33.4336 175.2948 10 V 4.1649 8.7636 128.5172 63.5531 31.9069 176.2646 11 V 4.3978 8.7218 121.3927 61.2426 32.8839 176.2411 12 S 4.5796 7.7623 116.1440 57.0177 65.6275 173.9921 13 D 5.0500 8.8035 125.8020 53.3081 39.4818 175.9563 14 K 4.5311 7.6343 117.2467 57.4722 32.3433 176.2245 15 M 4.7720 7.7515 116.7786 53.2450 35.3641 175.6542 16 Q 4.1690 8.5159 119.4164 56.2148 28.6720 176.0647 17 K 4.1769 9.1711 123.2286 57.2795 29.3392 175.5426 18 T 5.3546 7.7236 112.4819 62.4625 72.7132 173.8331 19 V 4.7234 8.5489 116.8549 59.9446 36.5340 174.9682 20 T 4.5865 8.4119 120.5636 62.8784 69.7893 174.1550 21 V 4.5924 8.6516 128.6984 60.8093 33.2231 174.7134 22 L 4.3496 8.7784 132.1875 55.0154 43.3454 175.7590 23 V 4.6344 8.9395 126.1012 61.1628 34.0376 174.7312 24 E 4.8151 8.8648 127.6228 56.3759 30.8930 175.9830 25 R 4.7694 8.2490 115.7613 55.7784 33.0079 173.5370 26 Q 5.3799 8.7188 117.4016 53.9953 32.2057 173.6797 27 F 4.8329 7.8110 112.0481 55.4205 40.9034 171.2189 28 P 4.7994 0.0000 0.0000 62.0254 32.0031 175.7246 29 H 4.2657 8.8390 125.7004 55.8458 30.2753 174.2545 30 P 4.4262 0.0000 0.0000 64.7819 31.1784 176.4374 31 L 4.5178 7.9998 116.9006 55.2585 44.2985 176.0298 32 Y 4.8436 7.8900 112.8891 57.0734 38.0028 175.2091 33 G 3.7316 6.9091 111.6691 44.0346 0.0000 173.5352 34 K 4.6778 6.8974 113.8407 50.8278 33.4439 175.0837 35 V 4.2319 8.3811 127.0060 63.0222 32.6120 175.1127 36 I 4.5302 8.1305 119.2995 58.9930 40.4412 174.9043 37 K 4.4972 8.7395 126.0657 56.6402 33.1214 176.3930 38 R 4.6369 8.5025 119.5211 55.7608 34.0839 173.6020 39 S 5.3423 8.8705 119.5593 56.6201 66.7849 172.7196 40 K 4.6452 9.0818 120.3770 54.8634 35.8739 174.6592 41 K 4.9663 8.4751 125.0337 55.2579 33.7425 175.3821 42 Y 4.5958 8.7108 121.8266 56.0708 41.3206 174.5290 43 L 5.0353 8.5823 122.5693 53.4630 43.3736 175.7331 44 A 5.1249 8.8130 125.7036 49.9891 22.0370 174.9617 45 H 4.5373 9.3544 122.8365 56.3992 31.3260 174.3998 46 D 5.0219 8.8298 123.5692 51.9796 41.3168 174.0721 47 P 4.7263 0.0000 0.0000 62.6729 31.2727 178.0057 48 E 4.5414 8.8620 114.5953 56.7148 33.2472 175.1408 49 E 4.0555 7.9081 118.3024 57.1781 27.5241 176.0748 50 K 4.1042 8.1664 117.8015 58.1292 33.9135 176.3577 51 Y 4.4682 8.3547 119.5353 56.5472 38.6495 174.9256 52 K 4.5550 8.9834 123.9390 54.1502 35.2965 175.1174 53 L 4.0758 8.3107 121.2035 58.2940 41.8535 175.6559 54 G 3.6575 8.1656 115.4150 45.2442 0.0000 172.6712 55 D 4.9471 8.0175 121.4023 54.2508 42.3365 175.4470 56 V 4.6062 8.2918 121.5130 61.8984 33.6691 175.1385 57 V 4.9371 8.7461 119.3347 60.0915 36.6647 173.5225 58 E 4.9162 8.7351 122.7762 55.6848 31.2195 175.5740 59 I 4.9982 8.8896 123.8084 59.5129 41.3332 174.3060 60 I 4.9444 8.8058 124.2383 58.8797 41.4043 172.7429 61 E 3.1485 8.6543 131.0660 56.3868 29.5789 176.1501 62 S 4.7959 7.6900 121.8145 55.8745 66.5677 174.4318 63 R 3.8552 8.4216 121.5345 55.4699 30.3460 174.3033 64 P 4.2864 0.0000 0.0000 63.6316 31.5891 175.9499 65 I 4.1267 8.4977 124.7661 63.0987 38.1201 175.6438 66 S 4.4366 7.2260 111.6892 57.6488 64.8750 173.9037 67 K 4.0413 7.7990 120.7284 57.3823 32.4217 178.1881 68 R 3.7609 8.6724 119.4326 56.8053 29.0693 176.2636 69 K 4.6056 8.0020 117.1498 55.1836 32.8501 175.9062 70 R 4.9515 8.3263 129.2532 54.6982 31.5105 174.8955 71 F 5.2233 8.1577 115.7783 56.3358 43.8739 174.2869 72 R 4.8653 8.7427 122.0599 54.2748 33.0745 175.9907 73 V 3.5595 7.8112 122.6675 62.6100 30.9087 175.4230 74 L 4.1422 8.7466 131.8479 56.8665 41.6168 176.6809 75 R 4.8943 7.3456 111.8306 55.6848 32.7215 173.3976 76 L 4.5654 8.7522 122.3703 55.6132 42.3774 176.5095 77 V 4.4820 9.0245 122.4573 61.7281 34.3668 175.3540 78 E 5.4303 7.8139 122.0732 55.8189 30.7632 176.8488 79 S 4.7613 8.1708 119.2374 58.3561 63.3436 174.1598 80 G 3.9532 8.4777 101.3947 47.0396 0.0000 173.6577 81 R 4.7062 8.2416 125.7603 54.7299 31.6007 176.6009 82 M 4.2328 7.9131 119.7091 57.8408 32.6296 177.8731 83 D 4.3927 8.2713 119.4448 56.8960 39.1136 178.8435 84 L 4.1174 7.6869 118.5884 57.1357 41.6960 179.3580 85 V 3.6982 7.7097 117.8484 65.9860 31.4189 177.8022 86 E 3.9671 8.9293 118.6788 59.3892 29.1825 179.1662 87 K 3.8691 7.9212 118.0765 59.8320 32.0223 178.6293 88 Y 4.1796 7.9703 119.3249 60.7975 38.8788 177.7010 89 L 3.6465 8.2843 120.1841 57.7237 41.7395 179.6950 90 I 3.5350 8.0091 119.9452 64.5622 36.8591 177.8620 91 R 3.5613 7.2147 117.7287 59.4500 30.1653 177.7060 92 R 3.4947 7.6952 118.1519 59.6473 29.5281 178.2482 93 Q 3.9000 8.2209 119.2018 59.1555 28.5742 177.6362 94 N 4.2468 8.3088 117.8316 56.2865 38.3760 176.7797 95 Y 4.4187 7.6241 117.9424 61.6825 37.8194 178.3724 96 E 3.6978 7.6523 118.5419 59.3014 29.9658 177.9604 97 S 4.5067 7.7208 110.0333 58.7215 63.3281 174.2694 98 L 4.7585 8.5973 120.6581 54.7456 42.7771 177.2699 99 S 4.7767 7.6698 116.0130 58.5772 62.5605 176.7632 100 K 4.3828 8.4304 112.6606 55.1213 31.6890 176.7258 *101 R 4.1415 7.7515 119.9032 56.3327 30.0213 176.8624 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 P 0.00 4.30 0.00 2.19 2.12 0.00 3.73 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 1.88 1.99 0.00 3 K 8.55 3.80 0.00 1.82 1.80 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.46 7.81 4 K 8.32 3.94 0.00 1.90 1.92 0.00 1.58 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.60 1.62 7.81 5 V 8.45 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 0.85 0.00 0.00 1.04 0.00 0.00 6 L 8.73 4.93 0.00 1.24 1.19 0.09 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.98 5.03 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 1.22 0.00 0.00 8 G 8.52 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 9 V 7.82 4.83 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 0.98 0.00 0.00 0.92 0.00 0.00 10 V 8.76 4.16 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 0.90 0.00 0.00 0.93 0.00 0.00 11 V 8.72 4.40 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 0.48 0.00 0.00 0.58 0.00 0.00 12 S 7.76 4.58 0.00 3.90 3.66 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 13 D 8.80 5.05 0.00 2.82 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 14 K 7.63 4.53 0.00 1.79 1.88 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.42 7.81 15 M 7.75 4.77 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 16 Q 8.52 4.17 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 17 K 9.17 4.18 0.00 2.06 2.02 0.00 1.70 0.00 0.00 1.89 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.48 7.81 18 T 7.72 5.35 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 1.29 0.00 0.00 19 V 8.55 4.72 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 0.81 0.00 0.00 0.87 0.00 0.00 20 T 8.41 4.59 4.19 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 0.00 0.00 0.00 1.11 0.00 0.00 21 V 8.65 4.59 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 0.87 0.00 0.00 0.84 0.00 0.00 22 L 8.78 4.35 0.00 1.49 1.50 0.94 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.94 4.63 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 0.97 0.00 0.00 0.81 0.00 0.00 24 E 8.86 4.82 0.00 1.91 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 2.32 2.31 0.00 25 R 8.25 4.77 0.00 1.86 2.02 0.00 2.84 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.79 0.00 26 Q 8.72 5.38 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.86 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 27 F 7.81 4.83 0.00 3.17 3.13 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 0.00 0.00 0.00 28 P 0.00 4.80 0.00 2.04 2.08 0.00 3.92 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 29 H 8.84 4.27 0.00 3.26 3.27 0.00 5.61 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.43 0.00 2.19 2.20 0.00 3.71 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.98 0.00 31 L 8.00 4.52 0.00 1.30 1.01 0.88 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.89 4.84 0.00 2.60 2.70 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 0.00 0.00 0.00 0.00 33 G 6.91 3.73 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 0.00 0.00 0.00 34 K 6.90 4.68 0.00 1.89 1.78 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.47 7.81 35 V 8.38 4.23 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 0.83 0.00 0.00 0.92 0.00 0.00 36 I 8.13 4.53 1.68 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 -0.06 0.85 0.00 0.00 37 K 8.74 4.50 0.00 1.66 1.80 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.69 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.43 7.81 38 R 8.50 4.64 0.00 2.01 1.92 0.00 3.24 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 39 S 8.87 5.34 0.00 3.92 3.82 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 40 K 9.08 4.65 0.00 1.77 1.71 0.00 1.19 0.00 0.00 0.67 0.00 0.00 2.70 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.77 1.16 7.81 41 K 8.48 4.97 0.00 1.59 1.63 0.00 1.51 0.00 0.00 1.67 0.00 0.00 2.74 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 1.41 7.81 42 Y 8.71 4.60 0.00 2.60 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.58 5.04 0.00 1.73 1.63 0.93 0.72 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 44 A 8.81 5.12 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 45 H 9.35 4.54 0.00 3.24 3.19 0.00 5.75 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 46 D 8.83 5.02 0.00 2.79 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.73 0.00 2.19 2.01 0.00 3.71 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.83 0.00 48 E 8.86 4.54 0.00 1.92 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 0.00 2.25 2.29 0.00 49 E 7.91 4.06 0.00 2.10 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 2.33 2.27 0.00 50 K 8.17 4.10 0.00 1.60 1.82 0.00 1.31 0.00 0.00 1.62 0.00 0.00 3.11 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 0.85 7.81 51 Y 8.35 4.47 0.00 3.28 2.95 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 52 K 8.98 4.56 0.00 1.86 1.91 0.00 1.43 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.64 1.48 7.81 53 L 8.31 4.08 0.00 1.77 1.68 0.99 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.17 3.66 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 0.00 0.00 0.00 55 D 8.02 4.95 0.00 2.71 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 0.00 56 V 8.29 4.61 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 1.04 0.00 0.00 0.94 0.00 0.00 57 V 8.75 4.94 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 0.71 0.00 0.00 0.95 0.00 0.00 58 E 8.74 4.92 0.00 1.96 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 59 I 8.89 5.00 1.70 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.81 1.11 0.00 0.00 60 I 8.81 4.94 1.88 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 1.08 1.56 0.95 0.00 0.00 61 E 8.65 3.15 0.00 1.94 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 2.12 1.98 0.00 62 S 7.69 4.80 0.00 3.72 3.68 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 63 R 8.42 3.86 0.00 1.73 1.80 0.00 3.42 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 64 P 0.00 4.29 0.00 2.06 2.02 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 65 I 8.50 4.13 1.82 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 1.32 0.36 0.67 0.00 0.00 66 S 7.23 4.44 0.00 3.92 3.82 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 67 K 7.80 4.04 0.00 1.86 1.72 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.38 7.81 68 R 8.67 3.76 0.00 1.94 1.98 0.00 3.27 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 69 K 8.00 4.61 0.00 1.98 1.72 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.58 7.81 70 R 8.33 4.95 0.00 1.90 1.68 0.00 3.26 0.00 0.00 3.38 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 71 F 8.16 5.22 0.00 2.94 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 72 R 8.74 4.87 0.00 1.77 1.81 0.00 3.14 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 73 V 7.81 3.56 1.51 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 -0.59 0.00 0.00 0.62 0.00 0.00 74 L 8.75 4.14 0.00 1.72 1.67 0.94 0.80 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 75 R 7.35 4.89 0.00 1.94 2.01 0.00 3.21 0.00 0.00 3.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.47 0.00 76 L 8.75 4.57 0.00 1.72 1.64 1.03 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 77 V 9.02 4.48 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 0.87 0.00 0.00 0.95 0.00 0.00 78 E 7.81 5.43 0.00 2.22 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 2.12 2.06 0.00 79 S 8.17 4.76 0.00 3.85 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 80 G 8.48 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 81 R 8.24 4.71 0.00 2.05 1.92 0.00 3.40 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.80 0.00 82 M 7.91 4.23 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 83 D 8.27 4.39 0.00 2.87 2.97 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 84 L 7.69 4.12 0.00 1.77 1.76 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.71 3.70 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 1.23 0.00 0.00 0.96 0.00 0.00 86 E 8.93 3.97 0.00 2.17 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 2.51 2.51 0.00 87 K 7.92 3.87 0.00 2.04 1.91 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.77 1.63 7.81 88 Y 7.97 4.18 0.00 3.06 3.19 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 0.00 0.00 0.00 0.00 89 L 8.28 3.65 0.00 1.91 1.66 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.01 3.53 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 1.67 0.76 0.89 0.00 0.00 91 R 7.21 3.56 0.00 1.84 1.82 0.00 3.30 0.00 0.00 3.15 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 92 R 7.70 3.49 0.00 1.43 1.67 0.00 2.99 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 93 Q 8.22 3.90 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.48 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 94 N 8.31 4.25 0.00 2.74 2.77 0.00 0.00 7.01 7.49 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 95 Y 7.62 4.42 0.00 3.12 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 96 E 7.65 3.70 0.00 2.13 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 2.33 0.00 97 S 7.72 4.51 0.00 4.04 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 98 L 8.60 4.76 0.00 1.63 1.72 1.08 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 99 S 7.67 4.78 0.00 3.96 3.68 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 0.00 100 K 8.43 4.38 0.00 1.72 1.77 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.32 7.81 *101 R 7.75 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.