NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5817 8.1476 118.3357 55.3811 33.8311 172.8879 2 V 4.1312 8.2825 119.3875 60.9244 33.1180 174.0276 3 K 5.0802 9.1536 126.8068 54.5897 36.1434 176.9906 4 I 5.4593 8.7441 120.1845 58.7417 36.5471 176.6964 5 R 4.7857 7.5277 126.0203 54.8207 32.9237 175.9663 6 L 5.7649 8.7378 116.9912 52.1062 46.3293 175.7528 7 A 4.5042 8.3530 121.4481 50.0852 21.9527 175.7056 8 R 3.8233 9.1690 124.2051 55.8716 29.2427 175.8443 9 F 4.7336 8.2887 124.4534 56.2296 41.5063 175.6792 10 G 4.4304 8.8414 105.4839 47.1701 0.0000 175.3848 11 S 4.4591 8.2485 115.0023 58.1182 62.7369 173.7204 12 K 4.1664 8.5541 121.7907 57.9173 32.8408 178.9671 13 H 4.1766 8.6685 119.0242 56.7943 28.3676 174.7585 14 N 4.9425 7.9877 118.8449 51.2644 37.8620 171.7940 15 P 4.8470 0.0000 0.0000 63.4813 32.6768 176.4541 16 H 4.8259 8.5196 112.6896 56.6059 30.4022 173.5127 17 Y 5.1435 7.5941 116.4143 56.0580 40.7212 176.2687 18 R 4.8476 8.7239 121.3449 54.4510 33.6481 174.3653 19 I 4.3898 9.0433 129.2646 61.6679 38.1788 175.8279 20 V 4.6882 8.6027 125.8228 60.6831 35.3860 172.8772 21 V 4.5139 7.5128 120.1902 60.6330 33.3452 175.0383 22 T 4.2065 8.0704 114.1645 61.2810 71.6799 171.6439 23 D 4.5478 9.1921 128.6301 55.6134 39.5543 178.8531 24 A 3.5040 8.5162 124.4200 54.3397 20.0883 179.1954 25 R 3.9619 7.4825 112.3858 58.8525 30.2288 177.4389 26 R 4.0513 7.6538 116.6909 56.1147 30.5113 175.4419 27 K 4.4148 8.3542 117.2135 55.6530 33.5955 176.8100 28 R 3.1879 7.6217 116.0127 60.3827 31.2333 175.7794 29 D 4.4115 8.0695 116.2981 54.8731 41.1414 176.9829 30 G 3.8643 8.8168 109.9877 44.2494 0.0000 173.7630 31 K 3.7968 8.2230 120.4719 56.4995 32.6242 175.0312 32 Y 5.0003 7.6020 123.0837 54.9881 41.5368 173.8069 33 I 3.7319 8.6111 123.1566 62.7449 35.9930 176.6696 34 E 4.9253 8.6537 124.6273 54.5182 33.9570 175.2577 35 K 4.2911 9.0436 127.0092 56.6227 32.8544 176.2639 36 I 4.6117 9.3250 115.6777 59.2022 40.2790 175.2079 37 G 4.6948 7.4221 110.2309 46.2510 0.0000 170.1049 38 Y 5.3185 6.9854 117.5579 55.9029 41.7804 173.5318 39 Y 5.1207 8.4010 117.3425 57.1257 42.4642 173.4485 40 D 4.5187 8.6144 126.6103 51.8051 42.7122 173.5090 41 P 3.9788 0.0000 0.0000 66.5143 31.1727 178.3625 42 R 3.9146 7.9020 115.3761 55.4836 29.8591 176.6264 43 K 3.1192 7.4932 116.4637 56.8997 30.1362 175.1353 44 T 3.9449 7.1135 108.5805 62.9156 69.2552 174.5464 45 T 3.4483 8.5902 123.0269 63.4312 67.2561 171.6548 46 P 4.7849 0.0000 0.0000 63.1775 31.0703 176.5810 47 D 5.0142 9.2418 116.8922 53.6078 41.0338 174.8131 48 W 5.0915 7.8559 114.3941 55.3309 30.3737 176.0344 49 L 4.4067 7.1909 117.5039 55.1670 44.1873 172.9127 50 K 4.4770 7.1020 126.0446 55.2887 36.4934 174.7815 51 V 4.5071 7.7411 121.5134 60.7936 34.1892 174.8865 52 D 4.7016 9.8134 129.9444 54.4940 37.6195 176.5829 53 V 3.5445 7.8705 114.5516 63.9334 31.9700 177.3429 54 E 3.8594 7.9837 117.2099 59.9896 29.5540 180.1006 55 R 3.8819 8.0146 117.0391 59.2446 29.6682 178.6852 56 A 4.1248 9.0455 121.5979 55.4392 18.2261 180.0219 57 R 3.8972 8.3872 116.6807 59.3900 30.0903 177.9888 58 Y 3.9997 7.5249 120.7428 60.1862 38.7057 178.5414 59 W 4.7226 7.9910 119.3204 59.5679 29.0958 178.2927 60 L 4.4894 7.4271 115.7496 56.8707 41.2593 178.8926 61 S 4.2437 8.5717 113.3981 60.3271 62.9026 175.6457 62 V 4.2820 7.7589 112.7264 60.9325 32.5886 175.9959 63 G 3.9004 8.9474 108.6988 45.7552 0.0000 171.9288 64 A 5.0178 8.0184 119.6674 50.5412 22.1355 176.3920 65 Q 4.4542 8.8928 122.4094 54.0117 30.2920 174.3761 66 P 4.8849 0.0000 0.0000 62.2339 33.1430 175.9179 67 T 4.3411 7.9878 116.1637 63.4300 70.8238 174.8776 68 D 4.4381 8.6266 120.3184 57.3543 41.1794 177.9790 69 T 4.2805 7.6699 107.9738 62.5503 69.2333 176.4352 70 A 3.9483 7.5679 123.9494 54.5578 18.8475 179.0366 71 R 3.9524 7.6998 117.2489 59.7066 30.1219 178.5748 72 R 3.8313 7.4814 116.8051 59.6337 29.9444 178.5018 73 L 4.1052 7.4968 116.8207 57.4008 41.7709 179.1434 74 L 4.1412 7.6274 119.1256 57.3561 41.5831 179.1272 75 R 4.1327 7.9661 118.6788 59.3767 29.7751 178.2495 76 Q 4.0366 8.4768 118.7711 58.0774 29.0782 176.6491 77 A 4.5031 7.7530 120.1480 50.2984 19.9592 178.0297 78 G 3.8631 7.0963 102.4163 47.3598 0.0000 173.1226 79 V 4.0242 7.7259 123.3254 63.7566 33.6540 176.7768 80 F 4.4280 8.0093 116.9371 58.9612 39.5029 176.2406 81 R 3.9641 8.1723 119.5404 57.2483 29.9111 175.6338 82 Q 4.4308 8.2301 118.6020 54.8264 30.7459 175.0909 83 E 3.5086 8.1091 119.8881 57.2507 27.5830 174.0966 *84 A 4.1104 8.2890 128.4132 52.8763 18.9361 177.1449 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 8.15 4.58 0.00 2.09 2.34 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 2 V 8.28 4.13 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 0.84 0.00 0.00 0.86 0.00 0.00 3 K 9.15 5.08 0.00 1.63 1.87 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.38 7.81 4 I 8.74 5.46 1.84 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 0.83 0.26 0.86 0.00 0.00 5 R 7.53 4.79 0.00 1.85 1.98 0.00 3.04 0.00 0.00 3.27 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.43 0.00 6 L 8.74 5.76 0.00 1.61 1.80 0.83 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.35 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 9.17 3.82 0.00 1.50 1.65 0.00 3.08 0.00 0.00 3.08 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.88 0.00 9 F 8.29 4.73 0.00 3.01 2.84 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 0.00 0.00 0.00 10 G 8.84 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 0.00 0.00 0.00 0.00 11 S 8.25 4.46 0.00 3.88 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 12 K 8.55 4.17 0.00 1.77 1.68 0.00 1.92 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.24 1.35 7.81 13 H 8.67 4.18 0.00 3.36 3.40 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.99 4.94 0.00 2.76 2.70 0.00 0.00 7.05 7.45 0.00 0.00 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 P 0.00 4.85 0.00 2.30 1.91 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 16 H 8.52 4.83 0.00 3.10 3.35 0.00 5.93 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 7.59 5.14 0.00 3.26 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 18 R 8.72 4.85 0.00 2.34 1.98 0.00 3.51 0.00 0.00 3.42 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 19 I 9.04 4.39 1.97 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.01 0.89 0.00 0.00 20 V 8.60 4.69 1.62 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 0.27 0.00 0.00 0.36 0.00 0.00 21 V 7.51 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 0.18 0.00 0.00 0.09 0.00 0.00 22 T 8.07 4.21 4.32 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 1.16 0.00 0.00 23 D 9.19 4.55 0.00 2.71 2.57 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 24 A 8.52 3.50 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 25 R 7.48 3.96 0.00 1.97 2.02 0.00 3.19 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 26 R 7.65 4.05 0.00 1.80 1.93 0.00 3.51 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.80 0.00 27 K 8.35 4.41 0.00 1.91 1.91 0.00 1.54 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.40 7.81 28 R 7.62 3.19 0.00 1.78 1.75 0.00 3.19 0.00 0.00 3.23 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.82 0.00 29 D 8.07 4.41 0.00 2.62 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 30 G 8.82 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 31 K 8.22 3.80 0.00 1.69 1.74 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.34 7.81 32 Y 7.60 5.00 0.00 3.24 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 33 I 8.61 3.73 1.69 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 1.15 0.56 0.85 0.00 0.00 34 E 8.65 4.93 0.00 2.15 1.89 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 2.40 2.39 0.00 35 K 9.04 4.29 0.00 2.01 1.81 0.00 1.88 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.44 7.81 36 I 9.32 4.61 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.01 1.01 0.00 0.00 37 G 7.42 4.69 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 0.00 0.00 0.00 38 Y 6.99 5.32 0.00 3.19 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 39 Y 8.40 5.12 0.00 2.83 2.93 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 40 D 8.61 4.52 0.00 2.72 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 41 P 0.00 3.98 0.00 2.27 2.31 0.00 3.63 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.21 0.00 42 R 7.90 3.91 0.00 1.76 1.94 0.00 3.35 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 43 K 7.49 3.12 0.00 1.22 0.74 0.00 1.39 0.00 0.00 1.30 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.30 1.24 7.81 44 T 7.11 3.94 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 1.21 0.00 0.00 45 T 8.59 3.45 4.34 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 1.33 0.00 0.00 46 P 0.00 4.78 0.00 2.28 2.21 0.00 3.76 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 2.07 2.00 0.00 47 D 9.24 5.01 0.00 2.61 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.86 5.09 0.00 3.54 3.28 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 49 L 7.19 4.41 0.00 1.20 0.83 0.75 0.38 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 50 K 7.10 4.48 0.00 1.45 1.16 0.00 1.82 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.36 7.81 51 V 7.74 4.51 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 0.69 0.00 0.00 0.80 0.00 0.00 52 D 9.81 4.70 0.00 2.74 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.87 3.54 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 0.74 0.00 0.00 0.91 0.00 0.00 54 E 7.98 3.86 0.00 1.98 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 2.40 2.40 0.00 55 R 8.01 3.88 0.00 2.06 2.08 0.00 3.29 0.00 0.00 3.65 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 56 A 9.05 4.12 1.27 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 0.00 0.00 57 R 8.39 3.90 0.00 2.01 1.95 0.00 3.13 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 58 Y 7.52 4.00 0.00 2.75 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 59 W 7.99 4.72 0.00 3.49 3.29 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 60 L 7.43 4.49 0.00 1.90 1.76 0.84 0.83 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 61 S 8.57 4.24 0.00 3.84 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 62 V 7.76 4.28 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 0.39 0.00 0.00 1.21 0.00 0.00 63 G 8.95 3.90 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 0.00 0.00 0.00 64 A 8.02 5.02 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 65 Q 8.89 4.45 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 66 P 0.00 4.88 0.00 1.98 2.03 0.00 3.72 0.00 0.00 3.89 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 67 T 7.99 4.34 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 1.18 0.00 0.00 68 D 8.63 4.44 0.00 2.65 2.67 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 69 T 7.67 4.28 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 1.14 0.00 0.00 70 A 7.57 3.95 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 71 R 7.70 3.95 0.00 2.16 2.08 0.00 3.21 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 72 R 7.48 3.83 0.00 1.95 1.87 0.00 3.11 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 1.54 1.64 0.00 73 L 7.50 4.11 0.00 1.49 1.54 0.17 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.63 4.14 0.00 2.08 1.61 0.93 0.59 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 75 R 7.97 4.13 0.00 2.12 2.02 0.00 3.07 0.00 0.00 3.04 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 76 Q 8.48 4.04 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 77 A 7.75 4.50 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 78 G 7.10 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 79 V 7.73 4.02 1.25 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 0.54 0.00 0.00 0.81 0.00 0.00 80 F 8.01 4.43 0.00 3.01 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 81 R 8.17 3.96 0.00 1.82 1.91 0.00 3.19 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.69 0.00 82 Q 8.23 4.43 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 5.66 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 83 E 8.11 3.51 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 2.19 2.24 0.00 *84 A 8.29 4.11 1.23 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 * Residues marked with a * may have inaccurate shift predictions.