NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5728 8.3644 120.3161 52.4008 41.5249 175.0932 3 D 4.1734 7.8960 120.9455 53.9835 41.6531 173.4888 4 E 4.1753 9.5860 127.6429 58.2113 31.4027 177.8266 5 T 3.9348 8.6324 116.2463 67.1764 68.6519 176.2863 6 L 4.0911 7.6496 119.6725 57.3589 41.6631 178.2336 7 R 4.2585 7.6344 115.7155 56.7800 30.5002 176.8141 8 L 4.3284 7.3802 117.7314 54.0507 42.6886 176.9490 9 Q 4.2888 8.3394 121.0760 55.5947 31.0652 176.7660 10 F 4.4447 8.7888 128.1645 61.3634 39.6833 177.5581 11 G 3.5723 8.1066 104.8933 48.3160 0.0000 174.8557 12 H 4.2528 8.0384 118.5070 58.5191 28.7039 177.8890 13 L 3.9470 7.7288 119.9717 57.9715 41.3743 179.5438 14 I 3.5871 7.4636 117.0463 63.5534 37.8634 177.9246 15 R 4.0493 7.8738 119.2896 59.2591 30.1550 178.8718 16 I 3.8243 7.8120 119.3894 64.1682 37.1819 178.7039 17 L 3.9724 7.9279 119.8246 57.4650 41.6040 177.5326 18 P 4.2439 0.0000 0.0000 65.9763 30.7241 178.6263 19 T 3.7290 7.6366 114.4525 66.7555 68.4020 176.6564 20 L 4.3324 8.0519 120.8105 57.6880 41.5382 179.2524 21 L 4.0234 8.0347 120.4356 58.2603 41.8536 178.9909 22 E 3.9455 8.2831 118.5752 59.1441 29.3320 179.1893 23 F 4.3976 8.0459 117.9617 60.6734 39.0236 177.2738 24 E 4.0226 8.4450 118.8683 59.3870 29.2377 179.0040 25 K 4.0567 8.2443 117.6809 59.1812 32.1962 178.6617 26 K 4.3450 7.7734 116.2303 56.3629 32.2277 177.8395 27 G 3.9374 7.8976 107.5342 45.8565 0.0000 172.4792 28 Y 4.5519 8.2012 120.1644 55.5975 40.1305 175.4382 29 E 4.2141 7.8348 126.9652 54.0743 29.1701 173.6469 30 P 4.4344 0.0000 0.0000 61.3420 32.7824 177.1485 31 S 4.5228 8.7257 115.8818 57.9621 65.1541 175.2860 32 L 3.8930 8.2875 122.2366 58.1273 41.3307 179.9704 33 A 4.0454 7.9631 120.0503 55.2556 18.4099 179.4308 34 E 3.9740 8.2478 117.1521 59.3838 29.4982 179.5070 35 I 3.8243 7.9005 120.1832 64.3887 37.1672 178.5769 36 V 3.2438 7.3793 118.8219 65.6714 31.1144 177.8172 37 K 3.8547 7.8637 117.6348 59.6798 32.1710 178.2802 38 A 4.1425 8.2936 120.1659 55.0848 18.3568 179.3929 39 S 4.3147 7.4039 113.5433 58.7919 63.4032 175.7132 40 G 3.9150 8.1269 108.9360 44.9923 0.0000 173.8097 41 V 3.9383 7.1165 112.3576 60.5849 32.4593 176.7303 42 S 4.4630 8.3232 116.7906 58.2489 65.1356 175.2953 43 E 4.1652 8.7685 123.4247 59.3187 29.0914 179.5938 44 K 4.0294 8.0793 118.5932 59.9671 32.7207 178.2360 45 T 4.0290 8.1339 116.1402 66.7522 68.4477 176.1204 46 F 3.8682 8.3895 122.1759 61.0206 39.7855 177.0750 47 F 4.5515 8.3930 116.5505 57.5002 38.9900 176.8677 *49 G 3.9272 7.9232 109.0031 45.5765 0.0000 175.1127 50 L 3.7552 7.7780 121.4305 57.7501 42.0362 178.5843 51 K 3.2502 6.8777 119.2431 59.8850 31.8205 178.3267 52 D 4.3262 7.7372 117.9437 57.1866 40.6405 178.8916 53 R 3.9227 7.6935 118.5231 59.0536 30.1009 178.9948 54 L 3.9748 7.9833 118.9484 57.5615 41.5853 179.5639 55 I 3.8996 7.6207 121.0974 63.9409 36.8827 178.3660 56 R 3.9207 7.9854 117.5144 59.4221 30.1207 178.5310 57 A 4.2617 7.9800 116.7742 52.4667 18.2366 177.8940 58 G 3.8521 7.8358 105.4483 46.1172 0.0000 174.6778 59 L 4.5297 7.8070 121.2851 55.7083 43.0204 176.8567 60 V 4.9965 7.4859 109.9978 59.8666 36.6326 173.4892 61 K 4.6449 9.2035 123.3297 54.6311 35.6280 174.5692 62 E 4.8682 8.7726 127.3791 55.7231 30.6817 175.0990 63 E 4.8670 8.9462 124.7821 54.5431 34.4483 175.2197 64 T 4.2108 8.4942 118.9772 63.7671 68.9160 173.9928 65 L 4.2651 8.7819 130.0213 56.3372 43.1546 176.9765 66 S 4.4945 7.2517 110.9602 56.9387 65.6833 171.3586 67 Y 4.3321 8.7826 123.6269 60.6779 38.3814 177.9881 68 R 3.7768 8.6558 124.0361 55.9437 27.5193 172.1029 69 V 4.4796 7.8182 117.7898 62.1050 34.5887 174.6611 70 K 5.1148 8.7198 126.2673 55.0539 35.7858 174.6673 71 T 5.1105 8.9182 116.0763 60.5436 71.6520 172.0317 72 L 5.2489 8.4588 123.4524 52.8626 44.0984 176.1536 73 K 4.6372 9.1487 123.1541 54.2632 34.3939 176.0149 74 L 4.6189 8.6432 125.0655 55.3623 42.4766 177.1360 75 T 4.3432 8.3388 112.8400 60.7120 70.7620 175.6921 76 E 3.9666 8.7920 120.8183 59.4068 29.3732 179.5489 77 K 4.0405 8.0920 119.4041 59.4410 32.2924 179.0150 78 G 3.6207 8.0208 106.0554 47.7095 0.0000 175.7703 79 R 3.9605 8.4461 121.4947 59.1125 29.9736 178.7464 80 R 3.9330 8.2428 118.1964 59.2001 30.1147 178.8483 81 L 3.9414 8.1048 119.7932 57.9624 42.0102 178.4147 82 A 3.9920 8.3174 121.2915 55.6358 18.0118 179.5192 83 E 3.9347 7.8432 114.8692 59.7606 29.6137 179.1110 84 C 4.3236 7.8958 116.8325 62.8386 28.3844 176.0501 85 L 4.1770 8.5629 120.1279 57.0290 40.8647 179.2652 86 E 4.0250 7.9112 119.2129 59.1380 29.4913 179.2365 87 K 4.0435 7.8757 118.6126 59.3326 32.1622 179.0238 88 C 4.1599 8.1646 116.6482 63.1292 27.8868 176.1951 89 R 3.9464 7.6849 117.8847 59.2578 29.6715 178.4954 90 D 4.4942 7.5826 117.5078 57.4121 40.9685 178.4698 91 V 3.7583 7.3504 116.7185 66.2925 31.5806 176.2558 92 L 4.3340 7.8093 121.1423 55.0201 41.6766 176.7432 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 D 8.36 4.57 0.00 2.80 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.90 4.17 0.00 2.78 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 9.59 4.18 0.00 2.01 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 2.37 2.27 0.00 5 T 8.63 3.93 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 1.24 0.00 0.00 6 L 7.65 4.09 0.00 1.73 1.74 0.92 1.26 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 7 R 7.63 4.26 0.00 2.09 1.98 0.00 3.34 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 8 L 7.38 4.33 0.00 1.79 1.64 0.94 1.03 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 9 Q 8.34 4.29 0.00 2.10 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 10 F 8.79 4.44 0.00 3.10 3.05 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 11 G 8.11 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.04 4.25 0.00 3.36 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.73 3.95 0.00 1.87 1.70 1.02 0.94 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 14 I 7.46 3.59 1.04 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.56 0.57 0.00 0.00 15 R 7.87 4.05 0.00 2.00 1.93 0.00 3.18 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 16 I 7.81 3.82 1.99 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.62 1.01 0.00 0.00 17 L 7.93 3.97 0.00 1.99 1.71 0.95 1.13 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 18 P 0.00 4.24 0.00 2.10 2.24 0.00 3.72 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 2.20 2.33 0.00 19 T 7.64 3.73 4.42 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 0.00 0.00 0.00 1.24 0.00 0.00 20 L 8.05 4.33 0.00 1.93 1.81 0.98 0.68 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 21 L 8.03 4.02 0.00 1.90 1.82 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.28 3.95 0.00 2.00 1.80 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 2.26 2.47 0.00 23 F 8.05 4.40 0.00 3.33 3.32 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 0.00 0.00 0.00 0.00 24 E 8.45 4.02 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 2.35 2.40 0.00 25 K 8.24 4.06 0.00 1.76 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.80 7.81 26 K 7.77 4.35 0.00 1.95 1.92 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.59 7.81 27 G 7.90 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 0.00 0.00 0.00 28 Y 8.20 4.55 0.00 2.95 3.02 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 0.00 0.00 0.00 29 E 7.83 4.21 0.00 1.69 1.70 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 2.14 2.16 0.00 30 P 0.00 4.43 0.00 1.63 0.59 0.00 3.56 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 1.70 1.34 0.00 31 S 8.73 4.52 0.00 4.04 3.98 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 32 L 8.29 3.89 0.00 1.98 1.99 1.26 1.14 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 33 A 7.96 4.05 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 34 E 8.25 3.97 0.00 2.10 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 0.00 2.39 2.37 0.00 35 I 7.90 3.82 1.82 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 1.45 0.57 0.84 0.00 0.00 36 V 7.38 3.24 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 0.99 0.00 0.00 0.08 0.00 0.00 37 K 7.86 3.85 0.00 1.88 2.01 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.53 7.81 38 A 8.29 4.14 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 39 S 7.40 4.31 0.00 4.05 4.07 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 0.00 0.00 0.00 40 G 8.13 3.91 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 0.00 41 V 7.12 3.94 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 0.93 0.00 0.00 42 S 8.32 4.46 0.00 4.09 4.02 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 0.00 0.00 0.00 43 E 8.77 4.17 0.00 2.15 2.30 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 2.68 2.44 0.00 44 K 8.08 4.03 0.00 1.81 1.90 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.52 7.81 45 T 8.13 4.03 4.41 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 1.10 0.00 0.00 46 F 8.39 3.87 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 47 F 8.39 4.55 0.00 3.26 3.08 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 0.00 0.00 0.00 0.00 *49 G 7.92 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 50 L 7.78 3.76 0.00 1.72 1.51 0.88 0.42 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 51 K 6.88 3.25 0.00 0.79 1.24 0.00 1.62 0.00 0.00 1.34 0.00 0.00 2.96 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.17 1.07 7.81 52 D 7.74 4.33 0.00 2.63 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 53 R 7.69 3.92 0.00 1.98 1.94 0.00 3.11 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 54 L 7.98 3.97 0.00 1.78 1.69 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.62 3.90 1.95 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.89 0.00 0.00 56 R 7.99 3.92 0.00 1.90 2.00 0.00 3.15 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 57 A 7.98 4.26 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 58 G 7.84 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.81 4.53 0.00 1.80 1.72 0.94 0.83 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 60 V 7.49 5.00 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 0.85 0.00 0.00 0.92 0.00 0.00 61 K 9.20 4.64 0.00 1.78 1.58 0.00 1.50 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.39 7.81 62 E 8.77 4.87 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 2.28 2.47 0.00 63 E 8.95 4.87 0.00 1.90 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 2.21 2.26 0.00 64 T 8.49 4.21 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 1.23 0.00 0.00 65 L 8.78 4.27 0.00 1.51 1.72 0.85 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 66 S 7.25 4.49 0.00 4.02 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 67 Y 8.78 4.33 0.00 2.83 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 68 R 8.66 3.78 0.00 2.06 1.97 0.00 3.26 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.17 0.00 69 V 7.82 4.48 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 0.88 0.00 0.00 0.95 0.00 0.00 70 K 8.72 5.11 0.00 1.75 1.73 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.51 7.81 71 T 8.92 5.11 4.16 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 0.00 0.00 1.20 0.00 0.00 72 L 8.46 5.25 0.00 1.60 1.59 1.11 0.87 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 73 K 9.15 4.64 0.00 1.62 1.71 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.53 7.81 74 L 8.64 4.62 0.00 1.70 1.63 1.00 0.94 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 75 T 8.34 4.34 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 1.26 0.00 0.00 76 E 8.79 3.97 0.00 2.04 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 2.41 2.38 0.00 77 K 8.09 4.04 0.00 1.83 1.81 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.52 7.81 78 G 8.02 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.45 3.96 0.00 1.89 2.16 0.00 3.12 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 80 R 8.24 3.93 0.00 2.03 1.98 0.00 3.19 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 81 L 8.10 3.94 0.00 1.92 1.81 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.32 3.99 1.43 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 0.00 0.00 0.00 83 E 7.84 3.93 0.00 2.17 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 0.00 2.45 2.51 0.00 84 C 7.90 4.32 0.00 3.10 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 85 L 8.56 4.18 0.00 1.77 1.69 0.98 1.08 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 86 E 7.91 4.02 0.00 2.10 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 0.00 2.55 2.48 0.00 87 K 7.88 4.04 0.00 1.77 1.86 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.62 1.63 7.81 88 C 8.16 4.16 0.00 3.26 3.24 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 89 R 7.68 3.95 0.00 2.02 1.98 0.00 3.25 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 90 D 7.58 4.49 0.00 2.81 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 91 V 7.35 3.76 2.30 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 0.85 0.00 0.00 0.99 0.00 0.00 92 L 7.81 4.33 0.00 1.70 1.60 1.02 0.88 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 * Residues marked with a * may have inaccurate shift predictions.