NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4280 8.1233 122.4694 51.4096 20.5918 176.3610 3 K 4.2932 8.6339 120.8634 56.0074 33.7932 174.0051 4 G 4.2247 9.2041 110.4235 44.8574 0.0000 171.9251 5 Y 5.1853 8.9961 124.0849 55.9870 39.6802 174.8763 6 W 4.7024 9.2711 135.0000 57.2032 31.8881 174.8633 7 I 5.2671 8.5658 128.0101 59.5263 39.1732 174.8130 8 A 5.0896 9.3942 129.1303 50.1727 22.2402 174.7142 9 Q 5.0161 9.3607 121.2150 54.0901 32.2305 174.9252 10 V 4.9266 9.3074 123.9821 61.2984 35.4755 173.4233 11 D 5.0705 9.1502 127.9621 52.6181 43.0587 175.2452 12 V 4.2955 8.1637 123.7805 61.6329 32.2656 175.6179 13 R 4.1334 8.9805 127.9080 58.1336 31.1858 176.1899 14 D 4.7831 7.9736 119.8971 51.5624 41.9748 175.7918 15 S 4.2657 8.5189 122.6977 61.0242 63.0154 175.9549 16 E 3.9402 8.2558 122.5161 59.4610 29.6755 178.9277 17 R 4.0618 8.3276 117.7782 59.0396 30.0972 178.3672 18 Y 4.1005 8.2602 119.8135 60.5303 38.7653 178.0819 19 K 4.1059 8.3918 119.6492 59.4806 32.1234 178.9985 20 D 4.3531 7.7012 118.6769 57.3441 40.7207 178.0398 21 Y 3.9825 7.8546 119.8525 60.6443 38.6377 178.4163 22 V 3.1340 7.5118 119.1830 65.9862 31.4557 178.2168 23 S 4.1366 7.8616 112.7573 61.3289 62.9759 175.9846 24 T 4.0493 7.7548 112.1001 63.8652 69.0887 176.4636 25 A 3.9756 8.1732 124.3920 54.3609 18.2722 179.2680 26 K 4.0105 7.7550 118.4984 59.6100 32.2691 177.0937 27 P 4.2539 0.0000 0.0000 65.3845 31.1929 178.4201 28 A 4.0821 7.9471 119.0571 55.2984 18.4535 179.1494 29 F 4.3782 7.7287 116.2324 61.2540 38.8809 178.0079 30 E 4.0460 8.5692 117.8681 59.3969 29.0181 179.3461 31 R 3.7804 7.9755 117.8913 58.6264 30.0849 177.6202 32 F 4.9521 7.9151 114.2428 56.7156 39.3089 176.1045 33 G 3.7868 7.8728 105.9491 45.8208 0.0000 173.8905 34 A 2.8429 7.6861 121.3296 51.8820 18.8856 177.8235 35 N 4.6496 8.8127 122.3419 51.3527 40.6793 173.2939 36 F 4.1257 8.7107 125.2681 57.7680 38.9078 175.1695 37 L 4.5382 9.0829 124.6069 56.2523 42.9012 177.2839 38 A 4.6934 7.8081 118.6433 50.4627 21.7651 175.8989 39 R 4.6594 8.3593 120.3529 55.1416 30.5347 175.1267 40 G 3.8338 9.5737 107.2548 45.2811 0.0000 171.7910 41 G 3.8675 7.2572 105.7737 44.7982 0.0000 174.2057 42 S 4.1681 8.4444 114.6856 58.2136 63.4865 173.7789 43 V 4.1565 8.2165 122.6500 61.5225 32.6222 174.9594 44 T 4.4215 8.2845 124.0833 61.6881 69.0617 174.1308 45 E 4.1805 8.6970 127.2130 56.2524 30.2354 176.4985 46 L 4.4872 8.5541 123.1558 56.0589 43.2390 177.1619 47 E 4.4088 7.9816 116.4177 56.2338 33.1705 176.0498 48 G 3.9206 8.7862 111.0477 45.3477 0.0000 172.0675 49 T 4.3335 8.1252 114.8251 62.0239 69.5432 174.8415 50 A 4.5525 8.2951 129.1139 50.7892 20.3107 177.2460 51 R 4.2888 8.2141 119.2882 55.5728 31.0931 177.1069 52 A 4.0583 8.9384 123.2522 54.4012 18.7781 178.1214 53 R 4.6618 8.2438 117.2505 54.7202 32.2996 175.0732 54 N 5.6058 8.7782 122.8420 51.4892 42.6514 173.3150 55 V 4.9580 9.1775 123.3952 61.0505 35.1512 174.2569 56 V 4.8629 8.9388 127.3431 61.3842 34.3038 173.9372 57 I 4.4258 9.0557 129.7142 59.2785 39.7761 174.3494 58 E 4.5802 8.9424 129.0092 55.1357 31.1328 174.9426 59 F 4.9998 8.8214 125.4546 54.8190 42.0408 174.9182 60 P 4.2074 0.0000 0.0000 65.7725 31.3765 176.9272 61 S 5.0547 7.5773 112.0901 56.9567 66.5508 175.6972 62 V 3.5162 8.2744 121.4482 66.3859 31.0435 177.7431 63 Q 3.8962 8.0549 118.6013 59.3162 28.8988 177.6298 64 H 4.1229 8.1999 116.6232 58.9363 28.8561 177.5288 65 A 2.5800 7.4200 122.2022 54.6644 18.0365 179.8106 66 I 3.5446 7.6642 118.2884 64.5765 36.9593 178.4034 67 D 4.1049 7.7944 118.7336 57.1786 40.7120 178.0797 68 C 3.2683 7.2288 119.0195 62.3892 31.3363 174.9845 69 Y 3.9647 7.7129 119.4532 60.7267 38.4901 177.2700 70 N 4.5476 8.1774 114.7608 53.2282 39.4673 175.8155 71 S 4.3423 7.2899 116.6034 57.3533 64.1023 173.4111 72 P 4.2111 0.0000 0.0000 65.9870 31.1247 178.7069 73 E 3.9261 8.1493 116.5946 59.7077 29.4969 178.6571 74 Y 3.8233 7.9482 119.2895 60.8009 38.6669 177.9951 75 Q 3.8562 8.2055 117.9938 58.6565 28.5458 178.6233 76 A 4.0259 8.0754 121.6450 55.0604 18.5076 179.3122 77 A 3.8864 7.6202 118.6644 55.4800 18.3957 179.7126 78 A 3.8689 7.9536 119.3798 55.1664 18.1022 179.9995 79 K 4.0249 7.4553 115.7702 59.4521 32.2677 179.3305 80 I 3.8446 7.5919 119.7138 64.3842 37.0856 178.3643 81 R 3.7292 7.7930 118.8994 59.6054 29.6533 178.4333 82 Q 4.0909 8.3085 116.6567 58.7094 28.6630 178.2956 83 E 4.1906 7.8184 119.0355 58.4283 29.7852 177.7914 84 V 4.5321 7.5437 108.7340 60.9925 33.4759 175.2229 85 A 5.0421 8.2268 121.3179 50.7531 22.6451 175.4183 86 D 4.9946 8.7404 119.5724 52.9085 43.0534 175.7804 87 A 5.1559 8.4332 123.1661 50.9008 22.5833 175.1604 88 E 4.4911 8.8993 120.6931 54.5517 33.2876 174.8475 *91 I 4.3570 8.0151 119.9487 61.5108 38.3500 175.6412 92 V 4.4078 8.7957 127.2648 60.7866 33.7756 174.4226 93 E 4.5371 8.8939 129.2151 56.0126 30.2336 176.5495 94 G 4.3239 9.3376 114.9759 45.7120 0.0000 173.0336 95 I 4.0210 8.5021 113.6795 60.2404 38.5017 176.5733 96 G 3.5340 8.6455 111.0224 45.9378 0.0000 172.6013 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 A 8.12 4.43 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 3 K 8.63 4.29 0.00 1.40 1.38 0.00 1.65 0.00 0.00 1.91 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.54 1.45 7.81 4 G 9.20 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 5 Y 9.00 5.19 0.00 3.07 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 6 W 9.27 4.70 0.00 3.61 3.25 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 0.00 7 I 8.57 5.27 1.92 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 1.40 1.11 0.97 0.00 0.00 8 A 9.39 5.09 1.57 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 9 Q 9.36 5.02 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.72 0.00 0.00 0.00 0.00 0.00 2.42 2.30 0.00 10 V 9.31 4.93 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 1.07 0.00 0.00 1.13 0.00 0.00 11 D 9.15 5.07 0.00 2.59 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 12 V 8.16 4.30 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 0.70 0.00 0.00 0.05 0.00 0.00 13 R 8.98 4.13 0.00 1.89 1.97 0.00 3.16 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 14 D 7.97 4.78 0.00 2.66 2.58 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 15 S 8.52 4.27 0.00 4.14 4.13 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 16 E 8.26 3.94 0.00 2.09 2.23 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 2.41 2.43 0.00 17 R 8.33 4.06 0.00 2.00 2.02 0.00 3.21 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 18 Y 8.26 4.10 0.00 3.30 3.20 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 0.00 19 K 8.39 4.11 0.00 2.14 1.89 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.75 7.81 20 D 7.70 4.35 0.00 3.09 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 21 Y 7.85 3.98 0.00 2.98 2.83 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 22 V 7.51 3.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.07 0.00 0.00 23 S 7.86 4.14 0.00 4.04 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 24 T 7.75 4.05 4.18 0.00 0.00 0.00 0.00 0.00 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 25 A 8.17 3.98 1.15 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 0.00 0.00 26 K 7.75 4.01 0.00 1.93 1.98 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.55 7.81 27 P 0.00 4.25 0.00 2.20 2.09 0.00 3.76 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 2.10 2.15 0.00 28 A 7.95 4.08 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.73 4.38 0.00 3.39 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 30 E 8.57 4.05 0.00 2.17 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 2.36 2.39 0.00 31 R 7.98 3.78 0.00 1.89 1.89 0.00 3.10 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.36 0.00 32 F 7.92 4.95 0.00 3.37 3.31 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 33 G 7.87 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.69 2.84 0.66 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 35 N 8.81 4.65 0.00 2.66 2.68 0.00 0.00 6.82 8.26 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 36 F 8.71 4.13 0.00 2.82 2.91 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 37 L 9.08 4.54 0.00 1.65 1.75 1.09 0.68 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 38 A 7.81 4.69 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 39 R 8.36 4.66 0.00 1.87 1.74 0.00 2.72 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 40 G 9.57 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 41 G 7.26 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 42 S 8.44 4.17 0.00 3.99 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 43 V 8.22 4.16 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 0.85 0.00 0.00 0.94 0.00 0.00 44 T 8.28 4.42 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 1.21 0.00 0.00 45 E 8.70 4.18 0.00 1.96 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 2.31 2.33 0.00 46 L 8.55 4.49 0.00 1.61 1.69 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.98 4.41 0.00 1.90 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 48 G 8.79 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 49 T 8.13 4.33 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 1.21 0.00 0.00 50 A 8.30 4.55 1.29 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 0.00 0.00 51 R 8.21 4.29 0.00 1.83 2.02 0.00 3.38 0.00 0.00 3.45 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 52 A 8.94 4.06 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 53 R 8.24 4.66 0.00 1.83 1.92 0.00 3.02 0.00 0.00 2.97 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 54 N 8.78 5.61 0.00 2.68 2.70 0.00 0.00 6.52 7.68 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 55 V 9.18 4.96 2.36 0.00 0.00 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 0.00 0.00 1.18 0.00 0.00 56 V 8.94 4.86 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.99 0.00 0.00 57 I 9.06 4.43 1.60 0.00 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.09 -0.47 0.00 0.00 58 E 8.94 4.58 0.00 2.12 1.83 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 2.05 1.86 0.00 59 F 8.82 5.00 0.00 3.01 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 60 P 0.00 4.21 0.00 1.57 2.01 0.00 3.90 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 1.88 2.01 0.00 61 S 7.58 5.05 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 62 V 8.27 3.52 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 0.97 0.00 0.00 0.96 0.00 0.00 63 Q 8.05 3.90 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.65 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 64 H 8.20 4.12 0.00 3.63 3.78 0.00 5.87 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.42 2.58 0.96 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 0.00 0.00 66 I 7.66 3.54 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.60 0.84 0.00 0.00 67 D 7.79 4.10 0.00 2.40 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 0.00 0.00 0.00 0.00 68 C 7.23 3.27 0.00 2.84 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 69 Y 7.71 3.96 0.00 2.72 2.99 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 0.00 0.00 0.00 70 N 8.18 4.55 0.00 2.70 2.84 0.00 0.00 7.10 7.67 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 71 S 7.29 4.34 0.00 4.28 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 72 P 0.00 4.21 0.00 2.19 2.16 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 73 E 8.15 3.93 0.00 2.12 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 2.42 2.44 0.00 74 Y 7.95 3.82 0.00 3.02 3.07 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 75 Q 8.21 3.86 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 76 A 8.08 4.03 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 77 A 7.62 3.89 1.11 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 0.00 0.00 78 A 7.95 3.87 1.11 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 0.00 0.00 79 K 7.46 4.02 0.00 1.88 1.87 0.00 1.71 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.61 1.60 7.81 80 I 7.59 3.84 2.07 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 1.42 1.30 1.00 0.00 0.00 81 R 7.79 3.73 0.00 0.67 1.54 0.00 3.19 0.00 0.00 2.66 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 82 Q 8.31 4.09 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 83 E 7.82 4.19 0.00 2.13 2.02 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 2.35 2.35 0.00 84 V 7.54 4.53 2.16 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 0.82 0.00 0.00 1.15 0.00 0.00 85 A 8.23 5.04 1.29 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 0.00 0.00 86 D 8.74 4.99 0.00 2.63 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 87 A 8.43 5.16 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 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.90 4.49 0.00 1.97 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 2.22 2.29 0.00 *91 I 8.02 4.36 1.74 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.16 0.89 0.00 0.00 92 V 8.80 4.41 2.18 0.00 0.00 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 0.95 0.00 0.00 93 E 8.89 4.54 0.00 2.04 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 2.33 2.35 0.00 94 G 9.34 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 0.00 0.00 0.00 0.00 95 I 8.50 4.02 1.89 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 1.31 0.69 0.92 0.00 0.00 96 G 8.65 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.