NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3456 0.0000 0.0000 62.6074 32.6294 174.9993 2 Q 4.2774 8.4912 120.7258 53.9897 30.2737 173.2537 3 I 4.3636 8.0721 126.5239 59.6009 39.5827 175.3038 4 T 4.2529 8.3592 115.8768 61.2879 69.8242 174.1019 5 L 4.6848 7.5540 118.3651 54.2948 42.3749 178.1658 6 W 4.4573 8.2246 121.2647 59.0686 29.0743 176.1756 7 K 4.7527 7.7313 114.5360 53.6833 34.8929 175.8022 8 R 4.0108 8.4286 119.2837 56.3600 30.5637 176.5730 9 P 4.6553 0.0000 0.0000 62.3226 29.8052 173.5785 10 L 5.0578 7.8535 125.7535 54.4566 43.6561 176.0619 11 V 4.6209 9.0038 115.7648 59.8423 36.7537 174.3623 12 T 5.0031 8.4443 118.6437 62.9961 69.4719 174.5333 13 I 4.8144 8.8900 119.1897 58.9848 41.8251 174.0709 14 R 5.1316 8.8785 122.2559 54.5711 33.0391 173.8423 15 I 4.5877 8.7586 126.2978 59.9736 41.8216 175.0405 16 G 3.9305 9.8283 116.3832 46.5865 0.0000 174.3263 17 G 3.9133 8.5069 105.2770 45.1005 0.0000 173.8297 18 Q 4.6547 8.1944 119.1716 53.7876 31.0433 174.3940 19 L 5.0517 8.2405 121.4048 53.8181 43.2535 175.9565 20 K 4.7217 8.8768 121.1086 55.1836 37.3675 174.6043 21 E 5.1902 8.6875 120.3600 55.0607 31.4149 175.5715 22 A 4.8587 9.1893 124.3305 50.2904 23.6930 174.4695 23 L 4.8013 8.8757 122.4214 53.7215 43.7548 175.7145 24 L 4.4809 8.6288 127.5101 54.6790 42.2836 176.4537 25 D 4.8288 9.0646 125.3146 52.2439 42.6132 176.3923 26 T 3.9800 8.7537 116.5506 63.6546 69.0742 175.5213 27 G 3.8308 8.1375 110.0967 45.2940 0.0000 172.7687 28 A 4.6292 7.7747 123.1487 49.9525 20.3351 178.0047 29 D 4.3543 8.9594 123.1284 56.9024 42.2734 175.7824 30 D 5.1079 7.9952 116.0505 52.7714 45.9574 174.5238 31 T 4.7528 7.9460 112.8068 61.9689 71.1859 174.1318 32 V 4.8778 8.8503 125.9594 61.1797 34.6970 174.1518 33 I 4.9951 8.8801 128.5620 59.1685 40.4208 175.3493 34 E 4.5578 9.8929 125.7227 55.6629 30.1369 176.1288 35 E 3.5883 9.3724 123.4442 55.8461 31.2550 177.3073 *37 N 4.5116 8.2844 120.0790 53.1493 39.5201 174.9018 38 L 3.9343 7.1640 117.9809 53.9885 42.8508 176.2098 39 P 4.6510 0.0000 0.0000 62.8585 33.4529 175.2046 40 G 4.2164 8.6362 109.3801 44.3759 0.0000 177.1647 *42 W 4.6620 8.5895 120.4278 55.6797 29.2514 173.1938 43 K 4.7496 8.4708 119.4880 54.1296 34.9772 173.9210 44 P 5.0513 0.0000 0.0000 63.6042 32.2468 175.9743 45 K 4.3220 8.5446 122.5627 55.8876 36.2903 174.6280 *47 I 4.2944 8.4572 110.6825 60.9999 38.6360 174.5305 48 G 3.4483 7.7758 109.0414 43.8084 0.0000 172.4783 49 G 3.7715 7.6547 107.1297 45.6162 0.0000 175.2140 50 I 3.8771 8.3871 117.6662 61.5919 36.0360 175.2102 *52 G 3.9783 7.4347 111.9745 45.5601 0.0000 170.1685 53 F 5.2341 8.8687 120.3628 55.5017 42.1822 174.3030 54 I 4.7793 8.3294 116.0288 58.9116 40.4512 174.8004 55 K 4.5564 8.6285 125.0782 56.3801 33.1404 176.0788 56 V 4.6767 9.0702 119.4021 59.9067 37.0238 174.1253 57 R 4.5695 8.4706 120.9125 54.6155 32.0927 175.3505 58 Q 4.6529 9.3197 126.4299 55.1606 30.6771 173.6896 59 Y 5.0484 8.9583 124.3522 56.3950 40.6869 174.7578 60 D 5.1316 8.8666 122.7650 52.6604 43.7785 175.6849 61 Q 3.4322 8.3676 116.3229 57.2478 26.3612 174.2926 62 I 4.5012 7.9957 119.1377 58.9950 39.1953 174.9967 63 P 4.8432 0.0000 0.0000 62.9042 32.2687 176.1021 64 V 4.5036 8.7821 123.2422 61.2197 34.8065 173.4408 65 E 4.7967 9.1137 130.1786 54.9985 31.1694 176.7838 66 I 4.6006 9.0158 129.2439 61.2259 38.0700 177.4353 *68 G 3.8872 8.1599 108.9601 45.1553 0.0000 173.0732 69 H 4.7055 8.4237 118.9883 54.1160 29.9151 174.1245 70 K 4.5955 8.6065 124.2292 55.8914 32.8555 176.0603 71 A 4.9404 8.8669 125.7116 50.3005 23.2137 174.6161 72 I 4.7036 8.7983 119.3779 60.4900 41.2567 174.5066 73 G 4.0851 8.4131 115.1842 46.6981 0.0000 171.5751 74 T 4.8238 8.7831 117.2352 63.4305 69.4269 174.6193 75 V 4.4945 8.9139 125.7972 61.0504 34.9581 173.8972 76 L 5.1697 9.0107 127.8787 53.1656 44.0721 175.3727 77 V 4.9777 7.7110 123.8097 60.7231 33.5267 174.9648 78 G 4.4237 7.9557 113.3720 45.3500 0.0000 169.9281 79 P 4.9480 0.0000 0.0000 62.5481 31.3186 175.6393 80 T 4.6628 8.2098 117.3204 58.9874 70.4326 171.8668 81 P 4.3836 0.0000 0.0000 65.2581 31.5060 176.8028 82 V 4.4522 7.3142 117.0345 60.6087 34.8382 174.1746 83 N 4.7424 8.6767 123.8172 53.5288 39.9338 173.8751 84 I 4.9164 8.9481 123.4983 59.6257 41.0758 174.3910 85 I 4.3680 9.0816 128.9655 60.2713 38.7248 176.0007 86 G 4.5954 8.4939 115.6659 43.8808 0.0000 174.2283 87 R 4.1257 8.8518 118.3733 58.8643 30.2297 179.2408 88 N 4.3722 7.7871 114.8363 55.3523 37.6775 176.5071 89 L 4.3690 7.8062 117.7907 56.3963 42.2485 178.6256 90 L 4.0301 8.0290 119.3716 58.0223 41.4717 179.6575 91 T 3.9259 8.0638 109.7010 64.7971 68.4690 176.5312 92 Q 4.1818 7.8954 119.6503 57.3835 28.7709 177.3125 93 I 4.5671 7.2739 112.4419 59.0310 38.1025 171.7654 94 G 3.6011 7.5355 116.7602 45.4423 0.0000 173.5483 *96 T 4.1166 8.0377 114.6499 60.9487 69.9072 173.3822 97 L 4.6004 8.1980 122.1220 53.7789 43.0728 176.1951 98 N 5.0757 8.4950 119.0266 51.5951 42.3356 174.5039 99 F 4.5081 8.3086 116.4978 57.4069 37.5483 173.8972 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 P 0.00 4.35 0.00 2.21 2.14 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.98 0.00 2 Q 8.49 4.28 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 3 I 8.07 4.36 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 1.48 0.77 0.91 0.00 0.00 4 T 8.36 4.25 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 1.29 0.00 0.00 5 L 7.55 4.68 0.00 1.35 1.52 0.80 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 6 W 8.22 4.46 0.00 3.30 3.16 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 0.00 7 K 7.73 4.75 0.00 1.77 1.74 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.49 7.81 8 R 8.43 4.01 0.00 1.81 1.88 0.00 3.20 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 9 P 0.00 4.66 0.00 2.10 2.20 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.97 0.00 10 L 7.85 5.06 0.00 1.55 1.63 0.93 0.93 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 11 V 9.00 4.62 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 0.71 0.00 0.00 0.98 0.00 0.00 12 T 8.44 5.00 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 1.21 0.00 0.00 13 I 8.89 4.81 1.93 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 1.21 0.92 0.91 0.00 0.00 14 R 8.88 5.13 0.00 1.85 1.77 0.00 3.05 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 15 I 8.76 4.59 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.19 0.88 0.00 0.00 16 G 9.83 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 17 G 8.51 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 18 Q 8.19 4.65 0.00 2.19 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 19 L 8.24 5.05 0.00 1.52 1.58 0.92 0.82 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 20 K 8.88 4.72 0.00 1.65 1.63 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.39 7.81 21 E 8.69 5.19 0.00 1.83 1.85 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 2.23 2.23 0.00 22 A 9.19 4.86 1.16 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 0.00 0.00 0.00 23 L 8.88 4.80 0.00 1.72 1.65 0.91 0.69 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 24 L 8.63 4.48 0.00 1.56 1.61 0.91 0.81 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 25 D 9.06 4.83 0.00 2.65 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.75 3.98 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 1.20 0.00 0.00 27 G 8.14 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 28 A 7.77 4.63 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.96 4.35 0.00 2.62 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 30 D 8.00 5.11 0.00 2.55 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.95 4.75 4.26 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 1.24 0.00 0.00 32 V 8.85 4.88 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 1.02 0.00 0.00 0.93 0.00 0.00 33 I 8.88 5.00 1.85 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 1.22 1.17 0.88 0.00 0.00 34 E 9.89 4.56 0.00 1.99 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 2.38 2.24 0.00 35 E 9.37 3.59 0.00 1.74 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 2.30 2.35 0.00 *37 N 8.28 4.51 0.00 2.74 2.81 0.00 0.00 7.00 7.85 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 38 L 7.16 3.93 0.00 0.77 0.72 0.58 0.96 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 39 P 0.00 4.65 0.00 2.05 1.99 0.00 3.55 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 40 G 8.64 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 *42 W 8.59 4.66 0.00 2.85 1.74 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 43 K 8.47 4.75 0.00 1.82 1.86 0.00 1.30 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.31 1.36 7.81 44 P 0.00 5.05 0.00 2.21 2.38 0.00 3.75 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 45 K 8.54 4.32 0.00 1.89 1.65 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.43 7.81 *47 I 8.46 4.29 1.87 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 1.37 0.39 0.96 0.00 0.00 48 G 7.78 3.45 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 0.00 0.00 0.00 0.00 49 G 7.65 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.39 3.88 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.53 0.89 0.00 0.00 *52 G 7.43 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 0.00 0.00 0.00 53 F 8.87 5.23 0.00 2.95 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 54 I 8.33 4.78 1.89 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 1.11 0.69 0.92 0.00 0.00 55 K 8.63 4.56 0.00 1.82 1.76 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.51 7.81 56 V 9.07 4.68 2.13 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 0.73 0.00 0.00 1.00 0.00 0.00 57 R 8.47 4.57 0.00 1.36 0.66 0.00 2.21 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.88 0.00 58 Q 9.32 4.65 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 59 Y 8.96 5.05 0.00 3.22 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 60 D 8.87 5.13 0.00 2.59 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 8.37 3.43 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 62 I 8.00 4.50 2.01 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 1.50 1.10 0.90 0.00 0.00 63 P 0.00 4.84 0.00 2.07 2.07 0.00 3.71 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 1.99 1.97 0.00 64 V 8.78 4.50 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 0.93 0.00 0.00 0.97 0.00 0.00 65 E 9.11 4.80 0.00 2.10 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 2.28 2.38 0.00 66 I 9.02 4.60 1.88 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 1.23 0.60 0.91 0.00 0.00 *68 G 8.16 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 0.00 0.00 0.00 69 H 8.42 4.71 0.00 3.38 3.25 0.00 5.81 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.61 4.60 0.00 1.65 1.75 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.44 7.81 71 A 8.87 4.94 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 72 I 8.80 4.70 1.88 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 1.18 0.82 0.92 0.00 0.00 73 G 8.41 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.78 4.82 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 1.32 0.00 0.00 75 V 8.91 4.49 2.15 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 1.00 0.00 0.00 0.95 0.00 0.00 76 L 9.01 5.17 0.00 1.62 1.57 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.71 4.98 2.15 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 1.24 0.00 0.00 0.89 0.00 0.00 78 G 7.96 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 0.00 0.00 0.00 0.00 79 P 0.00 4.95 0.00 2.18 2.08 0.00 3.69 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 80 T 8.21 4.66 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 1.23 0.00 0.00 81 P 0.00 4.38 0.00 2.20 2.17 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 82 V 7.31 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 0.80 0.00 0.00 0.92 0.00 0.00 83 N 8.68 4.74 0.00 2.87 2.71 0.00 0.00 6.88 7.32 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 84 I 8.95 4.92 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 1.21 0.97 0.90 0.00 0.00 85 I 9.08 4.37 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 1.16 0.92 0.91 0.00 0.00 86 G 8.49 4.60 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 0.00 0.00 0.00 87 R 8.85 4.13 0.00 1.88 2.00 0.00 3.14 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 88 N 7.79 4.37 0.00 2.84 3.09 0.00 0.00 6.94 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 89 L 7.81 4.37 0.00 1.71 1.74 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.03 4.03 0.00 1.69 1.71 0.96 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.06 3.93 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 1.28 0.00 0.00 92 Q 7.90 4.18 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 93 I 7.27 4.57 1.81 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 1.69 0.58 0.93 0.00 0.00 94 G 7.54 3.60 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 0.00 0.00 0.00 *96 T 8.04 4.12 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 1.20 0.00 0.00 97 L 8.20 4.60 0.00 1.73 1.75 0.96 0.95 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 98 N 8.50 5.08 0.00 2.65 2.67 0.00 0.00 6.79 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 99 F 8.31 4.51 0.00 3.06 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 * Residues marked with a * may have inaccurate shift predictions.