NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.4588 7.8676 121.3984 61.4706 39.1630 173.7958 3 T 4.8674 8.7001 116.7767 58.9670 71.2052 168.3490 4 V 4.5027 9.5743 126.1555 61.3335 34.8945 174.8255 5 D 5.2044 9.1698 128.9517 52.9290 42.9848 175.6194 6 I 4.8422 8.8614 124.3060 59.7665 40.4954 174.4779 7 T 4.8452 8.9610 124.4557 61.8038 70.6264 173.5076 8 V 4.9161 8.4004 126.7757 60.9858 33.7747 175.3427 9 N 4.7834 9.0755 126.1536 51.7916 38.7052 175.5553 10 D 4.3207 8.5692 117.1851 57.2090 40.8122 177.4361 11 E 4.2703 8.3480 116.2323 56.1271 29.6723 176.8326 12 G 3.9178 8.4011 107.3500 45.4534 0.0000 173.4891 13 K 4.5278 8.4569 119.7479 54.3673 33.4792 176.2120 14 V 4.2229 9.0978 124.4211 63.0960 31.5132 175.4278 15 T 4.4685 9.0861 118.8768 63.0631 70.9198 174.6462 16 D 5.3038 7.8582 120.6651 52.5998 45.7963 174.5792 17 V 4.8019 9.0457 122.5486 61.3281 34.7226 174.4088 18 I 5.2253 8.5632 127.3987 58.3173 42.0477 173.8257 *20 D 4.8176 8.4654 121.3101 54.6642 41.9390 174.8697 21 G 3.7765 8.6189 111.1538 46.0763 0.0000 173.3569 *32 I 4.2167 8.6192 119.5766 61.4544 39.3532 178.1388 33 V 3.2557 7.3052 118.7288 65.8913 31.3217 177.4624 34 C 3.9858 7.8591 117.7463 62.2602 31.4824 175.1085 35 A 4.0245 7.9257 122.0145 55.0547 18.0753 179.5403 36 G 3.4565 7.9176 103.8690 47.9164 0.0000 175.6461 37 A 3.8853 8.1244 124.2948 54.6898 18.3400 179.8132 38 S 3.1753 8.1130 113.6801 61.4297 62.8480 176.7515 39 A 3.9427 7.7518 123.3091 55.1653 18.0864 179.9097 40 V 3.4752 7.5369 116.4395 66.0181 31.6537 178.3571 41 L 3.9222 7.6532 118.5931 57.9035 41.5265 179.5423 42 F 4.4953 7.8109 118.1470 60.4576 38.7750 177.9722 43 G 3.6771 8.3068 105.4271 48.0259 0.0000 175.9021 44 S 4.1618 8.1464 117.8899 61.1439 62.8512 176.9123 45 V 3.6609 8.0058 120.8827 66.2852 31.2695 177.7555 46 N 4.3423 8.3844 115.8806 56.2862 38.2509 177.2973 47 A 3.9878 8.1705 122.1817 55.1079 18.6137 179.6824 48 I 3.6580 8.0023 118.5177 64.8194 37.0245 178.8667 49 I 3.8890 7.7815 119.2568 64.0784 36.9707 178.2903 50 G 3.7999 8.2675 105.7344 46.1687 0.0000 174.3508 51 L 4.6146 8.2363 118.8869 54.5061 43.3076 175.6197 52 T 4.7396 7.5956 107.3269 59.6661 71.7195 173.7597 53 S 4.4399 8.4348 114.1110 58.5512 63.6868 174.0732 54 E 4.1011 7.9785 123.4180 56.3265 29.7896 176.7142 55 R 4.5065 8.1097 124.4975 53.2652 30.8041 173.3176 56 P 4.5788 0.0000 0.0000 62.2210 32.8170 175.4109 57 D 4.5905 8.8207 122.6063 54.1827 42.0126 175.5023 58 I 4.7750 8.2959 123.7246 59.4149 40.1426 174.5001 59 N 5.0621 8.7597 124.1777 51.5357 41.5128 173.0923 60 Y 5.3518 8.6710 123.9798 56.3173 41.8209 173.6985 61 D 4.9276 8.9750 126.3132 52.4247 45.6683 175.3442 62 D 4.4941 9.2200 117.2178 56.0398 38.7471 173.5107 63 N 4.5088 9.1815 108.5557 54.6601 36.1596 175.8219 64 G 4.0252 7.4667 105.6487 45.1623 0.0000 175.1561 65 G 3.7840 7.7462 108.7184 48.3296 0.0000 172.9888 66 H 5.1774 8.1909 119.1268 54.1341 33.1034 172.4244 67 F 5.3021 8.5921 127.0706 57.1336 42.8344 172.1474 68 H 5.1997 9.0025 126.7463 54.4066 32.6837 172.0075 69 I 4.5547 8.7591 127.4137 59.7021 39.1656 174.5176 70 R 4.9677 8.8443 128.2709 54.3106 32.3173 175.2215 71 S 4.5641 9.0321 123.5764 59.0969 63.1577 173.9283 72 V 3.9261 9.4680 123.9048 64.5116 32.5603 176.6618 73 D 4.6599 8.5206 126.5823 52.8358 39.6076 176.6561 74 T 4.1015 8.1725 115.0308 63.2184 69.2945 175.4319 75 N 4.5936 7.9142 118.5550 53.2919 38.8300 175.2992 76 N 4.5656 7.9845 118.4982 52.8550 38.9327 174.8597 77 D 4.3742 8.6162 129.3298 57.3707 40.9828 178.6880 78 E 3.9284 8.2151 118.3215 59.3814 29.5669 179.0146 79 A 4.0179 8.5123 120.9297 55.2564 18.3623 179.6530 80 Q 3.9551 8.3078 116.6799 59.0248 28.7075 178.8374 81 L 3.9703 8.1985 121.4952 58.2270 41.9027 179.0837 82 I 3.7155 7.7065 118.7043 64.4048 37.1095 178.1155 83 L 4.1799 8.1130 119.1757 57.9460 41.6599 179.2983 84 Q 4.2458 8.5510 118.4427 59.0051 28.4764 179.3244 85 T 4.1428 8.0197 114.1922 64.1360 68.1867 176.1500 *87 L 4.2600 7.8612 122.8816 54.9392 43.8893 179.3328 88 V 3.7746 8.1018 117.9286 66.3483 31.3012 178.3020 89 S 4.1581 8.3857 114.9589 61.5315 62.5651 176.7036 90 L 4.0300 7.8558 121.3109 57.8190 41.4268 179.2892 91 Q 4.0471 8.5448 118.4817 59.2051 28.3849 179.0276 92 T 3.8824 7.8914 115.9589 66.6487 68.7328 176.3944 93 I 3.9549 7.7451 121.6510 64.4567 36.6874 178.0698 94 E 3.9955 8.4631 120.2601 59.4585 29.2685 178.6806 95 E 3.7168 8.3055 117.3694 58.8568 29.4813 178.3324 96 E 4.2901 7.4512 117.0428 56.6917 31.8730 175.9994 97 Y 4.7623 8.0667 116.1337 56.2606 38.0601 175.8342 98 N 4.5501 8.0751 117.7817 54.8659 38.4572 176.7264 99 E 4.4621 8.1569 116.5061 56.4947 30.0167 176.0082 100 N 4.9046 8.1238 115.8482 53.3722 41.1636 174.5196 101 I 4.9172 7.6431 116.3979 59.0384 41.3289 174.8124 102 R 4.7873 8.8736 128.2863 54.6074 33.0960 173.5876 103 L 4.9204 8.8659 126.6417 53.4111 43.3840 175.7432 104 N 4.9315 8.9593 121.0923 51.5655 41.9510 172.8977 105 Y 4.8676 8.7332 121.3795 56.5007 39.4479 175.8853 106 K 4.2798 9.0781 123.8572 56.4494 31.9966 176.6948 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 I 7.87 4.46 1.84 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 1.36 0.67 0.92 0.00 0.00 3 T 8.70 4.87 4.21 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 0.00 0.00 0.00 1.20 0.00 0.00 4 V 9.57 4.50 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 0.87 0.00 0.00 0.89 0.00 0.00 5 D 9.17 5.20 0.00 2.60 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 6 I 8.86 4.84 1.58 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.54 0.99 0.00 0.00 7 T 8.96 4.85 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 1.23 0.00 0.00 8 V 8.40 4.92 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 0.87 0.00 0.00 1.02 0.00 0.00 9 N 9.08 4.78 0.00 2.98 2.98 0.00 0.00 6.59 7.75 0.00 0.00 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 D 8.57 4.32 0.00 2.69 2.79 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 11 E 8.35 4.27 0.00 2.07 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 2.27 2.36 0.00 12 G 8.40 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 13 K 8.46 4.53 0.00 1.88 1.74 0.00 1.84 0.00 0.00 1.58 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.51 7.81 14 V 9.10 4.22 2.11 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 0.81 0.00 0.00 0.98 0.00 0.00 15 T 9.09 4.47 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 1.29 0.00 0.00 16 D 7.86 5.30 0.00 2.57 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 17 V 9.05 4.80 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 1.09 0.00 0.00 0.96 0.00 0.00 18 I 8.56 5.23 1.80 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.06 0.90 0.00 0.00 *20 D 8.47 4.82 0.00 2.64 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 21 G 8.62 3.78 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 0.00 0.00 0.00 *32 I 8.62 4.22 1.58 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 1.22 0.77 0.72 0.00 0.00 33 V 7.31 3.26 1.91 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 1.02 0.00 0.00 0.38 0.00 0.00 34 C 7.86 3.99 0.00 2.97 2.85 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 0.00 0.00 0.00 35 A 7.93 4.02 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 36 G 7.92 3.46 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 0.00 0.00 0.00 0.00 37 A 8.12 3.89 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 38 S 8.11 3.18 0.00 3.71 3.49 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 39 A 7.75 3.94 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 40 V 7.54 3.48 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 1.00 0.00 0.00 0.92 0.00 0.00 41 L 7.65 3.92 0.00 1.44 1.38 0.90 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.81 4.50 0.00 2.94 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.31 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.15 4.16 0.00 4.11 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 45 V 8.01 3.66 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 1.16 0.00 0.00 1.32 0.00 0.00 46 N 8.38 4.34 0.00 2.97 2.87 0.00 0.00 6.97 6.59 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 47 A 8.17 3.99 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.00 3.66 2.04 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 1.55 1.31 0.97 0.00 0.00 49 I 7.78 3.89 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 1.47 0.59 0.91 0.00 0.00 50 G 8.27 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.24 4.61 0.00 1.69 1.70 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.60 4.74 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 1.22 0.00 0.00 53 S 8.43 4.44 0.00 4.00 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 54 E 7.98 4.10 0.00 1.96 1.90 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 2.33 2.33 0.00 55 R 8.11 4.51 0.00 1.78 1.82 0.00 3.43 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.54 0.00 56 P 0.00 4.58 0.00 1.92 2.05 0.00 3.68 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 2.05 2.13 0.00 57 D 8.82 4.59 0.00 2.52 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.30 4.78 1.82 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 1.45 0.89 0.73 0.00 0.00 59 N 8.76 5.06 0.00 2.65 2.73 0.00 0.00 5.99 6.99 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 60 Y 8.67 5.35 0.00 2.99 2.86 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 61 D 8.98 4.93 0.00 2.55 2.46 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 0.00 62 D 9.22 4.49 0.00 2.75 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 63 N 9.18 4.51 0.00 2.83 2.92 0.00 0.00 7.47 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 64 G 7.47 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 65 G 7.75 3.78 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 0.00 0.00 0.00 66 H 8.19 5.18 0.00 3.24 3.08 0.00 5.74 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 F 8.59 5.30 0.00 3.34 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 68 H 9.00 5.20 0.00 3.01 2.96 0.00 5.63 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.76 4.55 1.90 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.48 0.93 0.00 0.00 70 R 8.84 4.97 0.00 1.64 1.62 0.00 3.05 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.71 0.00 71 S 9.03 4.56 0.00 3.78 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 72 V 9.47 3.93 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 0.74 0.00 0.00 0.96 0.00 0.00 73 D 8.52 4.66 0.00 2.78 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 74 T 8.17 4.10 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 1.22 0.00 0.00 75 N 7.91 4.59 0.00 2.85 2.88 0.00 0.00 6.92 8.98 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 76 N 7.98 4.57 0.00 3.01 2.82 0.00 0.00 7.19 8.07 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 77 D 8.62 4.37 0.00 2.73 2.71 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 0.00 0.00 0.00 0.00 78 E 8.22 3.93 0.00 2.19 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 2.40 2.38 0.00 79 A 8.51 4.02 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 80 Q 8.31 3.96 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.52 2.61 0.00 81 L 8.20 3.97 0.00 1.85 1.85 0.93 1.25 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 82 I 7.71 3.72 2.03 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 1.54 0.84 0.94 0.00 0.00 83 L 8.11 4.18 0.00 1.76 1.76 0.95 0.88 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 84 Q 8.55 4.25 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.08 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 85 T 8.02 4.14 4.44 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 1.22 0.00 0.00 *87 L 7.86 4.26 0.00 1.96 1.85 1.02 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.10 3.77 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 1.05 0.00 0.00 0.95 0.00 0.00 89 S 8.39 4.16 0.00 3.90 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 90 L 7.86 4.03 0.00 1.84 1.71 0.91 1.07 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 91 Q 8.54 4.05 0.00 2.28 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.64 0.00 92 T 7.89 3.88 4.44 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 1.27 0.00 0.00 93 I 7.75 3.95 2.04 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 1.44 0.86 0.97 0.00 0.00 94 E 8.46 4.00 0.00 2.13 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 0.00 2.35 2.59 0.00 95 E 8.31 3.72 0.00 2.23 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 2.35 2.37 0.00 96 E 7.45 4.29 0.00 1.92 1.66 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 2.21 2.48 0.00 97 Y 8.07 4.76 0.00 2.92 2.98 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 98 N 8.08 4.55 0.00 2.83 3.10 0.00 0.00 6.34 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 99 E 8.16 4.46 0.00 2.01 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 0.00 2.28 2.33 0.00 100 N 8.12 4.90 0.00 2.87 2.81 0.00 0.00 6.69 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 0.00 101 I 7.64 4.92 1.86 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 1.10 1.00 0.97 0.00 0.00 102 R 8.87 4.79 0.00 1.89 1.70 0.00 3.13 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 103 L 8.87 4.92 0.00 1.69 1.27 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 104 N 8.96 4.93 0.00 2.64 2.63 0.00 0.00 6.58 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 8.73 4.87 0.00 2.87 2.96 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 0.00 106 K 9.08 4.28 0.00 1.59 1.71 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.49 7.81 * Residues marked with a * may have inaccurate shift predictions.