NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.8844 8.4898 122.9705 51.8592 20.6979 177.1447 6 H 4.7785 7.6842 109.1242 52.3105 31.3281 171.4369 7 R 4.1635 9.3460 124.2964 55.9652 31.5347 177.3619 8 L 4.3183 8.6874 125.9312 54.8737 42.2553 178.3684 9 S 4.4996 9.3797 119.1116 57.5791 65.7623 175.0209 10 A 4.0621 8.5283 124.6354 55.9505 18.0114 180.2506 11 E 3.9173 8.0705 116.3538 61.3498 29.8929 180.9094 12 E 4.1607 8.0471 119.6955 59.3884 29.4179 179.7997 13 R 3.9166 8.0289 117.9982 59.4089 29.8786 178.9020 14 D 4.4714 8.0410 120.3153 57.5274 40.9353 178.7240 15 Q 4.3215 8.1245 119.5148 58.1406 28.5361 179.8501 16 L 4.7703 7.9758 116.2952 55.7928 43.5503 177.8874 17 L 4.3015 7.7121 118.1403 55.3977 41.7085 176.5665 18 P 4.2540 0.0000 0.0000 66.4770 30.1267 177.8999 19 N 4.2807 8.2218 116.4877 55.2905 38.4358 177.3816 20 L 4.2760 7.7240 119.8768 57.8692 42.0512 179.3187 21 R 4.8843 9.0165 119.4344 58.8069 29.7591 178.9715 22 A 4.1682 8.3319 119.8876 54.1883 18.3387 179.0054 23 V 4.2648 6.7988 109.4149 61.0948 32.1747 176.5845 24 G 3.9312 7.8551 106.5010 44.7644 0.0000 174.4989 25 W 4.6611 8.4331 120.9431 56.5463 30.5406 175.2673 26 N 5.4636 9.4049 120.2544 51.5120 42.6981 173.6310 27 E 4.7863 8.8662 121.3514 56.0068 30.5051 176.9457 28 L 4.3248 8.9314 124.1898 54.7755 42.6106 176.9980 29 E 4.2845 8.6638 119.1554 58.4655 30.0844 178.0753 30 G 3.8875 7.9542 104.8024 46.1872 0.0000 173.0339 31 R 4.5565 7.3493 114.5080 54.7776 32.2573 174.7124 32 D 4.7389 8.4645 119.0369 53.5530 41.0641 174.5026 33 A 4.7576 8.0477 124.8016 50.8627 22.8860 174.4526 34 I 5.1747 8.4947 112.8594 59.3124 40.8176 174.4746 35 F 5.6653 9.8123 125.4156 56.9881 43.4341 173.2751 36 K 3.9969 7.4241 125.2228 55.7569 35.7710 174.6036 37 Q 4.8257 7.9856 127.2355 54.2197 29.7687 173.0629 38 F 4.4542 9.5346 125.3731 55.5199 42.0992 174.9938 *39 H 5.0761 8.0803 120.1720 53.4356 30.9629 171.6570 40 F 4.7277 8.9655 124.5656 54.8429 41.6174 176.8739 41 K 4.1743 8.8458 121.2668 57.5956 31.8764 174.8521 42 D 4.3599 7.4299 116.5656 50.9965 42.1252 175.3723 43 F 4.1364 7.9002 120.8520 60.5823 39.1753 176.4488 44 N 4.1249 8.1724 116.4539 56.9211 38.6599 176.9090 45 R 3.7495 8.3198 119.0296 58.8356 30.1742 178.8057 46 A 2.8470 7.4422 120.5690 54.8809 18.3495 179.4857 47 F 3.6581 8.0912 119.4794 60.5828 39.3181 177.7954 48 G 3.4484 7.7079 105.8019 47.3564 0.0000 175.4961 49 F 3.9940 7.8898 122.9892 61.4495 39.4150 177.1593 50 M 3.6016 7.4722 118.1473 58.2324 31.6099 178.9698 51 S 3.8824 7.7065 115.6450 61.5941 62.8418 177.0305 52 R 3.9621 7.7442 120.7023 59.1379 29.7289 179.3002 53 V 3.7178 7.8249 117.9927 65.7284 31.5373 177.9509 54 A 3.9906 8.5833 121.1039 55.1162 18.2242 179.5565 55 L 3.8800 7.7834 117.2634 58.0806 41.6376 179.6426 56 Q 3.6714 7.8193 118.9593 58.6428 28.7021 177.9622 57 A 3.9552 7.7599 123.5680 54.6002 18.1458 179.4863 58 E 3.8737 7.7887 115.9216 59.1086 29.5948 179.0748 59 K 3.9965 7.7017 119.1805 58.9702 32.3826 178.0868 60 L 4.2067 7.8616 116.6703 53.5102 42.9297 175.6324 61 D 4.2733 8.0639 117.7988 54.7515 39.7952 173.9140 62 H 4.6184 7.3979 118.1192 55.3668 32.5553 171.1596 63 H 4.6185 8.4214 124.0298 53.1999 31.0794 172.4158 64 P 4.4661 0.0000 0.0000 62.1630 33.1927 175.0050 65 E 4.7716 8.7038 120.6906 54.5959 31.0206 175.2959 66 W 6.0628 9.0624 121.1088 54.8089 31.8487 174.0533 67 F 5.0690 9.6227 124.2393 56.5407 41.6991 173.4176 68 N 5.5082 7.9405 123.5533 51.7498 42.1964 174.2143 69 V 4.1728 8.3835 124.7955 60.6686 34.4087 176.9668 70 Y 3.7225 8.9828 130.8042 58.9201 38.3857 170.9700 71 N 4.7855 9.5792 119.4865 53.3054 38.8081 175.0577 72 K 5.1725 8.1428 123.6622 53.7157 35.1457 180.5849 73 V 4.8313 8.9280 123.5830 61.1367 34.8487 173.6742 74 H 5.2579 9.7304 126.4008 54.5758 30.6721 174.2534 75 I 5.2754 8.6837 124.5009 59.8424 40.5465 174.6835 76 T 5.4383 9.4531 123.1157 61.8553 72.0562 172.9481 77 L 5.2907 9.2501 126.0279 53.0872 45.1479 175.7305 78 S 4.9791 8.5289 115.7085 57.9144 66.0687 173.9731 79 T 4.5142 8.7909 121.3491 63.0051 69.6592 176.3520 *80 H 4.1830 8.9614 124.1845 57.4137 28.8171 173.5318 81 E 4.0171 8.4264 120.9615 58.5523 29.4494 177.5509 82 C 4.6343 7.9573 109.3698 56.7510 30.4174 173.1644 83 A 3.7147 7.6254 121.1332 52.2865 16.3076 176.9449 84 G 4.0133 7.1864 108.0513 46.0827 0.0000 171.6809 85 L 4.5820 8.3981 120.4225 54.6514 42.2269 176.7003 86 S 4.8942 8.8853 116.6186 55.4822 66.5421 174.6910 87 E 3.9630 8.4908 118.7585 59.3378 28.8861 179.7433 88 R 3.8985 7.6825 117.9559 59.1150 29.8915 178.7027 89 D 4.3335 7.9162 118.8485 57.0874 40.8537 178.8275 90 I 3.5140 7.4123 119.8393 64.3824 37.2091 178.0517 91 N 4.2944 8.4365 117.6781 56.2694 38.3962 177.3331 92 L 3.9664 7.9125 121.5177 57.9747 42.1995 178.7763 93 A 3.9145 8.0094 120.9548 55.1898 18.0162 179.8074 94 S 4.1259 8.1203 113.6997 61.6828 62.9058 176.7431 95 F 4.3699 8.2062 124.7388 60.7659 39.0547 177.1562 96 I 3.7890 8.4785 119.9208 64.5968 36.9101 178.2238 97 E 4.2712 8.5901 119.3187 59.5936 28.7786 179.4115 98 Q 3.9730 7.8716 117.9984 58.9157 28.8748 179.1084 99 V 3.4819 7.6051 118.9742 65.9290 31.4650 177.8353 100 A 4.2503 8.5861 120.8145 55.3014 17.8881 179.8469 101 V 3.6085 7.5478 116.0570 66.0888 31.7667 178.0716 102 S 4.3285 7.8525 111.5721 60.0185 63.6474 174.8107 103 M 4.5190 7.7096 126.2750 55.7866 31.5540 176.5725 104 T 3.7401 7.8864 115.5219 61.3476 68.5956 173.7726 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 5 A 8.49 4.88 1.31 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 0.00 0.00 6 H 7.68 4.78 0.00 3.24 3.24 0.00 5.73 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 9.35 4.16 0.00 1.80 1.89 0.00 3.25 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 8 L 8.69 4.32 0.00 1.61 1.59 0.88 0.90 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 9 S 9.38 4.50 0.00 4.01 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 10 A 8.53 4.06 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 11 E 8.07 3.92 0.00 1.99 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 2.31 1.97 0.00 12 E 8.05 4.16 0.00 2.24 2.03 0.00 0.00 0.00 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 2.37 0.00 13 R 8.03 3.92 0.00 2.05 1.98 0.00 3.20 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 14 D 8.04 4.47 0.00 2.81 2.73 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 15 Q 8.12 4.32 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 16 L 7.98 4.77 0.00 1.62 1.68 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.71 4.30 0.00 1.78 1.72 0.94 1.31 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 18 P 0.00 4.25 0.00 2.27 2.31 0.00 3.73 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 19 N 8.22 4.28 0.00 2.76 2.96 0.00 0.00 6.98 6.74 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 20 L 7.72 4.28 0.00 1.87 1.67 0.63 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 21 R 9.02 4.88 0.00 1.86 2.04 0.00 3.17 0.00 0.00 3.31 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 22 A 8.33 4.17 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.80 4.26 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 0.91 0.00 0.00 1.37 0.00 0.00 24 G 7.86 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 25 W 8.43 4.66 0.00 3.38 3.18 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 0.00 26 N 9.40 5.46 0.00 2.73 2.73 0.00 0.00 6.88 7.28 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 27 E 8.87 4.79 0.00 1.91 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 2.37 2.41 0.00 28 L 8.93 4.32 0.00 1.82 1.62 0.99 0.84 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 29 E 8.66 4.28 0.00 1.94 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 0.00 2.26 2.28 0.00 30 G 7.95 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 31 R 7.35 4.56 0.00 1.90 1.88 0.00 3.06 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 32 D 8.46 4.74 0.00 2.84 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.05 4.76 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 34 I 8.49 5.17 2.19 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.36 0.98 0.00 0.00 35 F 9.81 5.67 0.00 3.23 2.95 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 36 K 7.42 4.00 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.41 7.81 37 Q 7.99 4.83 0.00 1.87 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.49 0.00 0.00 0.00 0.00 0.00 2.21 1.94 0.00 38 F 9.53 4.45 0.00 2.90 2.26 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 *39 H 8.08 5.08 0.00 2.64 2.79 0.00 7.15 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 40 F 8.97 4.73 0.00 2.75 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 41 K 8.85 4.17 0.00 1.77 1.73 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.00 7.81 42 D 7.43 4.36 0.00 2.82 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 43 F 7.90 4.14 0.00 2.73 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.17 4.12 0.00 2.82 2.92 0.00 0.00 7.25 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.32 3.75 0.00 1.79 1.79 0.00 3.23 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 46 A 7.44 2.85 1.19 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 0.00 0.00 47 F 8.09 3.66 0.00 1.77 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.71 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 F 7.89 3.99 0.00 2.52 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 50 M 7.47 3.60 0.00 1.02 1.17 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 1.35 0.00 51 S 7.71 3.88 0.00 3.77 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 52 R 7.74 3.96 0.00 1.93 2.03 0.00 3.10 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 53 V 7.82 3.72 2.21 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 0.82 0.00 0.00 0.50 0.00 0.00 54 A 8.58 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 55 L 7.78 3.88 0.00 1.86 1.68 0.91 0.66 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 56 Q 7.82 3.67 0.00 1.27 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.82 0.00 57 A 7.76 3.96 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 58 E 7.79 3.87 0.00 2.07 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 0.00 2.36 2.46 0.00 59 K 7.70 4.00 0.00 1.72 1.83 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.40 7.81 60 L 7.86 4.21 0.00 1.49 1.58 0.73 1.10 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 61 D 8.06 4.27 0.00 2.72 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.40 4.62 0.00 3.09 2.97 0.00 5.88 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.42 4.62 0.00 3.00 3.02 0.00 5.94 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.47 0.00 1.42 1.53 0.00 3.22 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 65 E 8.70 4.77 0.00 2.23 2.06 0.00 0.00 0.00 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 2.25 0.00 66 W 9.06 6.06 0.00 3.38 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 67 F 9.62 5.07 0.00 3.35 3.19 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 68 N 7.94 5.51 0.00 2.55 2.43 0.00 0.00 6.87 7.71 0.00 0.00 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 V 8.38 4.17 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 0.89 0.00 0.00 1.03 0.00 0.00 70 Y 8.98 3.72 0.00 3.17 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 71 N 9.58 4.79 0.00 2.97 2.66 0.00 0.00 5.90 7.20 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 72 K 8.14 5.17 0.00 1.46 1.69 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.22 7.81 73 V 8.93 4.83 2.39 0.00 0.00 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 1.05 0.00 0.00 74 H 9.73 5.26 0.00 3.48 3.57 0.00 5.63 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.68 5.28 2.15 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.11 1.24 0.00 0.00 76 T 9.45 5.44 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 77 L 9.25 5.29 0.00 1.52 1.68 0.68 0.48 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 78 S 8.53 4.98 0.00 3.95 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 79 T 8.79 4.51 4.37 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 1.21 0.00 0.00 *80 H 8.96 4.18 0.00 2.83 3.07 0.00 7.20 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 81 E 8.43 4.02 0.00 1.99 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 2.38 2.31 0.00 82 C 7.96 4.63 0.00 3.08 3.13 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 83 A 7.63 3.71 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 84 G 7.19 4.01 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 0.00 0.00 0.00 85 L 8.40 4.58 0.00 1.68 1.58 0.99 0.85 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 86 S 8.89 4.89 0.00 3.93 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 87 E 8.49 3.96 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 2.34 2.33 0.00 88 R 7.68 3.90 0.00 1.49 1.41 0.00 2.98 0.00 0.00 3.02 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 89 D 7.92 4.33 0.00 2.77 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 90 I 7.41 3.51 1.92 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.97 0.84 0.00 0.00 91 N 8.44 4.29 0.00 2.64 2.81 0.00 0.00 6.72 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.91 3.97 0.00 1.79 1.60 0.83 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.01 3.91 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.12 4.13 0.00 4.07 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 95 F 8.21 4.37 0.00 3.08 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 96 I 8.48 3.79 2.41 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.82 1.25 0.00 0.00 97 E 8.59 4.27 0.00 2.32 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 0.00 2.98 2.78 0.00 98 Q 7.87 3.97 0.00 1.89 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 99 V 7.61 3.48 2.19 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 1.05 0.00 0.00 0.35 0.00 0.00 100 A 8.59 4.25 1.55 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 0.00 0.00 101 V 7.55 3.61 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 0.90 0.00 0.00 1.00 0.00 0.00 102 S 7.85 4.33 0.00 4.10 3.97 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 0.00 103 M 7.71 4.52 0.00 1.89 2.39 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.88 0.00 104 T 7.89 3.74 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 * Residues marked with a * may have inaccurate shift predictions.