NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3410 8.1733 120.0849 56.0988 34.9217 175.1857 4 I 4.3113 7.2528 121.8451 59.2938 38.5430 173.4497 5 R 5.4761 9.3021 128.7143 54.2386 32.6819 174.6870 6 I 5.6073 7.9396 117.4877 58.1617 40.6426 174.4287 7 K 4.5868 8.6708 125.7358 55.2357 34.3486 175.5547 8 L 4.9102 8.4195 122.8343 53.1485 42.8011 176.5259 9 R 4.1493 8.7881 123.4367 54.9569 32.5899 174.5122 10 G 3.5792 7.3200 105.9393 45.0402 0.0000 171.2623 11 F 4.9990 7.6352 115.9629 57.5709 42.3220 174.7743 12 D 4.4557 8.5029 118.9639 55.5074 41.8452 176.4594 13 H 4.5029 8.7721 121.9431 56.5897 28.8474 176.6633 14 K 4.2185 7.6930 123.3049 58.8768 32.2671 178.1868 15 T 3.9713 7.6138 109.4040 64.3353 69.2721 176.6237 16 L 3.9276 8.1779 122.2647 56.8465 42.0677 177.3475 17 D 4.6477 7.3730 116.3655 55.3376 42.0791 177.8862 18 A 4.1661 7.3929 121.4551 55.0104 18.4897 179.3644 19 S 4.2022 8.2212 109.0777 59.8160 63.1956 174.5333 20 A 4.4872 7.8158 122.8086 52.3184 19.3893 177.0081 21 Q 4.3609 7.8712 116.6456 56.7320 30.4150 176.8121 22 K 4.1208 8.0783 119.0481 59.5500 32.3735 178.6133 23 I 4.4744 7.4830 118.4185 61.2173 36.6626 176.8295 24 V 4.4309 7.6446 118.1573 62.0217 34.7169 175.5557 25 E 4.4935 8.0748 116.9192 56.3638 30.4061 176.8750 26 A 4.5990 7.8917 117.6934 51.8321 19.9223 176.9104 27 A 4.6428 7.6516 119.5848 51.9040 20.3696 178.8655 28 R 4.0980 7.7914 116.5669 58.7264 30.2477 178.5791 29 R 3.9331 7.9620 117.6409 58.5175 30.4250 176.8114 30 S 4.5931 8.7134 110.9587 58.3196 64.7697 172.0105 31 G 4.1035 6.8566 111.9487 44.0557 0.0000 176.1160 32 A 4.1556 8.3555 131.5293 51.9234 18.7896 177.0565 33 Q 4.3247 8.3242 117.6122 55.8351 30.3667 175.8916 34 V 4.8721 8.3455 121.7896 59.6415 34.2680 175.0669 35 S 4.0994 8.8754 123.6942 58.4987 63.7703 174.5995 36 G 3.8723 8.8530 113.9811 44.5580 0.0000 169.9111 37 P 4.5492 0.0000 0.0000 62.8595 31.5789 176.2940 38 I 4.2903 8.6131 120.3924 58.9021 39.4031 173.5033 39 P 4.9250 0.0000 0.0000 61.4450 30.9172 175.7058 40 L 4.5093 8.2403 127.0940 54.2208 41.9777 174.9799 41 P 4.3619 0.0000 0.0000 63.3283 31.6679 175.7551 42 T 4.2385 8.2522 117.1603 63.3046 69.6976 175.5847 43 R 4.3758 8.5520 126.3385 54.9484 29.6197 175.3441 44 V 3.8579 7.9939 122.6197 62.6856 32.8348 175.6202 45 R 4.5344 8.3997 124.5347 54.4664 31.9805 173.6328 46 R 4.4077 8.2530 122.2422 54.1667 31.6674 175.8286 47 F 5.0506 7.3129 117.1500 55.4703 41.5716 173.5349 48 T 4.8063 8.7674 117.6605 61.8677 71.0309 173.7219 49 V 4.5207 8.3995 124.3484 60.9110 35.4277 174.8817 50 I 4.0726 8.4154 127.2980 60.9197 37.1352 175.8716 51 R 4.0531 9.0083 125.8639 59.2321 30.0553 177.7989 52 G 3.8558 7.8559 105.3565 44.6521 0.0000 171.9428 53 P 4.8332 0.0000 0.0000 62.3085 32.7892 176.1356 54 F 5.1160 7.9148 130.1617 59.4797 45.3365 176.7821 55 K 4.3465 9.0118 116.2971 54.4909 32.1082 174.8815 56 H 4.9078 7.8853 121.1836 53.5398 30.1612 174.2296 57 K 3.7123 8.1229 120.8164 59.4758 32.8353 177.9367 58 D 4.6182 7.8036 117.7340 55.6490 42.4415 177.9674 59 S 3.6858 7.1551 110.0988 60.1750 60.3720 172.7201 60 R 4.5052 7.5340 124.0910 55.4111 32.3019 175.6022 61 E 4.6755 8.4488 117.6969 54.7324 32.7629 174.5359 62 H 4.8639 8.3598 120.3358 53.8193 32.1619 172.1297 63 F 5.1749 8.1174 117.3541 55.7296 42.6463 173.7110 64 E 4.5808 8.6535 116.6017 54.6064 32.3935 175.8783 65 L 4.5372 7.9004 122.1082 53.0522 42.5017 173.6457 66 R 3.8748 8.1653 118.4948 56.1646 30.7922 176.5483 67 T 4.7359 8.2337 122.7350 62.5534 68.4067 174.2783 68 H 4.8005 8.5900 122.8103 55.5659 29.8509 174.2514 69 N 5.3231 8.4767 117.3976 51.9282 42.6162 174.1695 70 R 4.5793 8.2339 118.2155 55.6796 34.1200 173.1811 71 L 5.0957 8.7067 129.0914 53.4672 45.0013 175.2478 72 V 4.6886 8.4057 124.2821 61.4854 34.8581 173.5423 73 D 5.3727 8.5626 126.6419 52.3806 43.9865 175.0454 74 I 4.5791 7.8388 114.0384 59.1940 39.7694 176.3758 75 I 3.6665 8.6315 120.7357 63.4162 38.0636 175.9036 76 N 4.8512 7.9291 120.7670 50.2143 40.7954 172.3800 77 P 4.4625 0.0000 0.0000 62.1676 29.5858 175.6908 78 N 4.6443 8.2401 124.6046 53.6406 39.3521 176.1234 79 R 4.2265 8.2971 116.3738 56.5627 30.2504 177.8026 80 K 4.2332 7.7186 121.0590 58.8233 32.7070 178.3838 81 T 3.7838 7.7398 109.6974 64.5432 68.8281 176.1699 82 I 3.9179 7.1697 120.8123 62.5751 37.1148 176.4265 83 E 4.5347 7.4854 118.6224 56.5042 31.3480 177.2497 84 Q 4.1399 7.9892 118.3741 58.5028 28.7416 177.7508 85 L 4.3314 7.6362 118.7866 57.0215 42.3979 178.0375 86 M 4.3841 7.9155 114.3420 57.0500 32.2221 176.2345 87 T 4.4523 7.6043 106.0640 62.5938 71.2742 174.6332 88 L 4.2347 7.2787 124.3556 53.5513 40.2438 175.8547 89 D 4.6191 7.6589 118.9230 52.8173 40.7921 176.8802 90 L 4.6717 8.0411 129.3266 53.0086 42.1024 176.0975 91 P 4.6727 0.0000 0.0000 61.3033 31.9543 175.7779 92 T 4.0008 8.6737 118.9598 64.7080 67.4323 175.8858 93 G 4.2232 7.8675 107.1457 45.1064 0.0000 171.7635 94 V 4.4469 7.8187 118.2022 60.6298 34.1949 174.2353 95 E 4.8681 8.5708 125.6196 54.2908 33.0327 174.7559 96 I 5.5688 8.0284 118.4859 58.9158 40.2237 174.5018 97 E 4.5421 8.7990 126.4270 55.5107 31.8865 175.7028 98 I 5.0825 8.0398 121.3400 60.2809 40.8597 174.4343 99 K 4.9031 9.2210 126.7064 54.6032 36.8230 175.0563 100 T 5.2339 8.1617 112.1754 59.8685 71.2076 175.2843 *101 V 3.9074 8.4598 122.3649 60.8881 32.4044 171.6845 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 3 K 8.17 4.34 0.00 1.73 1.92 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.67 7.81 4 I 7.25 4.31 1.87 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 1.11 1.29 0.91 0.00 0.00 5 R 9.30 5.48 0.00 1.84 1.77 0.00 3.07 0.00 0.00 3.31 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 6 I 7.94 5.61 1.86 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 1.18 1.20 0.91 0.00 0.00 7 K 8.67 4.59 0.00 1.68 1.74 0.00 1.61 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.39 7.81 8 L 8.42 4.91 0.00 1.81 1.54 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.79 4.15 0.00 1.67 1.78 0.00 3.07 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.55 0.00 10 G 7.32 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.64 5.00 0.00 3.05 2.78 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 0.00 0.00 0.00 12 D 8.50 4.46 0.00 2.81 2.62 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 13 H 8.77 4.50 0.00 3.21 3.18 0.00 5.50 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.69 4.22 0.00 1.68 1.92 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.43 7.81 15 T 7.61 3.97 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 16 L 8.18 3.93 0.00 1.77 1.85 0.94 1.21 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 17 D 7.37 4.65 0.00 3.02 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 18 A 7.39 4.17 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 19 S 8.22 4.20 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.82 4.49 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 21 Q 7.87 4.36 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.27 0.00 22 K 8.08 4.12 0.00 1.79 1.78 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.41 7.81 23 I 7.48 4.47 1.87 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 1.30 0.78 0.91 0.00 0.00 24 V 7.64 4.43 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 0.81 0.00 0.00 0.98 0.00 0.00 25 E 8.07 4.49 0.00 1.94 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 2.26 2.50 0.00 26 A 7.89 4.60 1.32 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 0.00 0.00 27 A 7.65 4.64 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 28 R 7.79 4.10 0.00 1.87 1.98 0.00 3.13 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.95 0.00 29 R 7.96 3.93 0.00 1.77 1.96 0.00 3.22 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 30 S 8.71 4.59 0.00 4.06 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 0.00 31 G 6.86 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 32 A 8.36 4.16 1.26 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 0.00 0.00 0.00 33 Q 8.32 4.32 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 34 V 8.35 4.87 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 1.03 0.00 0.00 0.93 0.00 0.00 35 S 8.88 4.10 0.00 3.94 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 36 G 8.85 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 37 P 0.00 4.55 0.00 1.95 2.06 0.00 3.67 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 2.03 2.19 0.00 38 I 8.61 4.29 1.87 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 1.51 0.74 0.95 0.00 0.00 39 P 0.00 4.93 0.00 2.10 2.14 0.00 3.76 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 1.96 1.96 0.00 40 L 8.24 4.51 0.00 1.68 1.73 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.36 0.00 2.20 2.10 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 42 T 8.25 4.24 4.24 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 1.15 0.00 0.00 43 R 8.55 4.38 0.00 1.78 1.90 0.00 3.29 0.00 0.00 3.10 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 44 V 7.99 3.86 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 0.70 0.00 0.00 0.89 0.00 0.00 45 R 8.40 4.53 0.00 1.99 1.93 0.00 3.51 0.00 0.00 3.26 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.83 0.00 46 R 8.25 4.41 0.00 1.55 1.63 0.00 3.05 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.45 0.00 47 F 7.31 5.05 0.00 3.24 3.15 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 48 T 8.77 4.81 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 49 V 8.40 4.52 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 1.03 0.00 0.00 1.02 0.00 0.00 50 I 8.42 4.07 1.89 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 1.42 0.92 0.94 0.00 0.00 51 R 9.01 4.05 0.00 1.88 2.03 0.00 3.38 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 52 G 7.86 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 53 P 0.00 4.83 0.00 2.23 2.19 0.00 3.85 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 2.03 1.97 0.00 54 F 7.91 5.12 0.00 2.89 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 0.00 0.00 0.00 55 K 9.01 4.35 0.00 1.29 1.40 0.00 0.61 0.00 0.00 1.23 0.00 0.00 2.35 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.83 0.29 7.81 56 H 7.89 4.91 0.00 3.13 3.17 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.12 3.71 0.00 1.71 1.87 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.40 7.81 58 D 7.80 4.62 0.00 2.49 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 59 S 7.16 3.69 0.00 3.99 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 60 R 7.53 4.51 0.00 2.19 2.06 0.00 2.93 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 61 E 8.45 4.68 0.00 1.94 1.59 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 1.69 2.08 0.00 62 H 8.36 4.86 0.00 3.12 3.05 0.00 5.55 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.12 5.17 0.00 3.06 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 64 E 8.65 4.58 0.00 1.80 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 65 L 7.90 4.54 0.00 1.75 1.64 0.57 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.17 3.87 0.00 1.72 1.70 0.00 3.29 0.00 0.00 3.24 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.93 0.00 67 T 8.23 4.74 4.45 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 0.00 0.00 0.00 1.26 0.00 0.00 68 H 8.59 4.80 0.00 3.07 3.27 0.00 5.83 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.48 5.32 0.00 2.57 2.68 0.00 0.00 6.69 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 70 R 8.23 4.58 0.00 1.91 1.73 0.00 3.07 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 71 L 8.71 5.10 0.00 1.81 1.48 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.41 4.69 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 0.93 0.00 0.00 73 D 8.56 5.37 0.00 2.72 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 74 I 7.84 4.58 1.87 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 1.34 1.23 0.91 0.00 0.00 75 I 8.63 3.67 1.87 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 1.43 0.59 0.98 0.00 0.00 76 N 7.93 4.85 0.00 2.63 2.70 0.00 0.00 6.99 7.69 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 77 P 0.00 4.46 0.00 2.22 2.08 0.00 3.81 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 1.98 1.98 0.00 78 N 8.24 4.64 0.00 2.85 2.86 0.00 0.00 6.82 7.54 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 79 R 8.30 4.23 0.00 1.77 1.95 0.00 3.36 0.00 0.00 3.15 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 80 K 7.72 4.23 0.00 1.86 1.85 0.00 1.60 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.68 7.81 81 T 7.74 3.78 4.24 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 1.24 0.00 0.00 82 I 7.17 3.92 1.87 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 1.64 0.78 0.91 0.00 0.00 83 E 7.49 4.53 0.00 1.86 1.93 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 2.21 2.30 0.00 84 Q 7.99 4.14 0.00 2.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.44 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 85 L 7.64 4.33 0.00 1.68 1.69 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 86 M 7.92 4.38 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.65 0.00 87 T 7.60 4.45 4.24 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 1.23 0.00 0.00 88 L 7.28 4.23 0.00 1.76 1.73 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 89 D 7.66 4.62 0.00 2.70 2.62 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 90 L 8.04 4.67 0.00 1.53 1.55 0.92 0.98 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 91 P 0.00 4.67 0.00 2.41 2.06 0.00 3.85 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 92 T 8.67 4.00 4.24 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 1.22 0.00 0.00 93 G 7.87 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 94 V 7.82 4.45 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 0.81 0.00 0.00 0.93 0.00 0.00 95 E 8.57 4.87 0.00 2.00 1.64 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 2.13 2.22 0.00 96 I 8.03 5.57 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 1.34 1.48 0.96 0.00 0.00 97 E 8.80 4.54 0.00 1.90 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 2.34 2.26 0.00 98 I 8.04 5.08 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.40 0.95 0.00 0.00 99 K 9.22 4.90 0.00 1.60 1.68 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.48 7.81 100 T 8.16 5.23 4.24 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 1.26 0.00 0.00 *101 V 8.46 3.91 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.