NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3762 8.3044 120.3262 55.6440 32.6185 174.6971 2 N 4.4384 7.8052 119.0813 51.8011 38.2407 172.6198 3 L 3.9930 8.9227 128.0106 57.3455 42.5088 178.3430 4 K 3.9428 8.0409 117.9390 59.5613 31.9287 179.0363 5 Q 3.9466 8.0902 119.8481 59.1278 28.9625 178.1506 6 I 3.6630 8.2385 121.0784 64.2342 37.1326 178.2340 7 A 3.9427 8.3510 121.9258 55.0163 18.2722 179.1519 8 K 3.7417 7.9042 118.1653 60.2671 32.2506 178.5757 9 D 4.4071 8.3368 118.8054 57.6313 40.6966 179.0014 10 T 3.9079 8.4333 116.6324 66.3086 68.3737 176.7469 11 A 4.0585 8.6318 125.7121 55.7312 18.4927 180.3974 12 K 3.9829 8.0816 122.2482 60.3889 31.7862 181.1712 13 T 4.1197 7.9048 116.9647 66.2293 68.2269 176.5838 14 L 3.9464 8.1002 122.2770 58.1806 42.3830 178.3975 15 Q 3.9760 8.4279 120.0733 59.6586 29.0975 178.8843 16 S 4.3990 8.1650 112.4069 60.2163 62.5306 175.1434 17 Y 4.3444 7.9926 122.4050 60.7834 38.5923 177.1964 18 L 4.0641 8.5317 120.3584 57.8174 41.6180 179.7027 19 T 3.8853 7.8847 115.6511 66.8245 68.5572 176.1474 20 Y 3.9290 7.5541 120.0967 60.6130 38.8101 177.8029 21 Q 3.4977 7.8735 120.2652 58.4583 29.0913 177.7586 22 A 3.9253 8.0977 122.2945 54.8069 18.3056 179.0719 23 L 3.8787 7.9086 118.9035 58.6188 42.1148 179.5655 24 R 3.7468 7.3544 117.1817 59.3266 29.8151 179.1114 25 T 3.8037 7.6431 115.2813 66.9672 68.5461 177.1709 26 V 3.9310 7.7459 115.4608 63.4081 31.4418 178.2503 27 L 3.9286 8.1968 120.3792 58.3820 41.3768 179.0903 28 A 3.9715 8.0743 120.4006 55.0287 18.1024 179.5205 29 Q 3.9546 8.3467 116.8688 59.3481 28.8913 179.2028 30 L 4.0962 8.5968 120.2490 57.7118 41.3842 179.6412 31 G 3.8257 8.1687 105.1993 47.9359 0.0000 175.2558 32 E 4.1660 7.7450 119.1344 59.1718 29.8029 178.6460 33 T 4.3803 7.7818 107.7088 62.7025 71.0477 175.0422 34 N 4.9962 8.5968 119.8065 49.9356 40.1877 172.1066 35 P 4.2597 0.0000 0.0000 65.2374 31.9150 176.0956 36 P 4.3247 0.0000 0.0000 65.4506 31.2088 178.4618 37 L 4.0999 7.9943 118.1545 57.7324 41.9334 178.6475 38 A 4.0569 8.2700 121.1387 55.1862 18.2481 179.3671 39 L 3.9249 7.9746 118.6418 57.9394 42.1030 178.7613 40 W 4.0569 8.3392 128.3482 60.6006 30.6879 177.6593 41 L 4.2042 8.5820 120.2796 58.3771 41.0228 178.4075 42 H 4.1471 8.5410 118.2112 59.5083 29.6926 177.0355 43 N 4.2917 8.1495 116.9912 56.2073 38.3917 176.9127 44 F 3.8915 7.8456 121.4583 61.2463 39.7022 177.1269 45 S 4.5409 8.3368 113.9406 59.4132 62.4788 173.4092 46 A 3.7722 6.9768 123.7251 53.5227 17.8277 177.0742 47 G 3.7984 8.7194 111.9452 47.6426 0.0000 173.3948 48 K 4.5018 7.8933 116.8156 55.7364 33.8795 177.4578 49 V 3.9404 7.7365 113.8464 61.9271 31.7518 177.6207 50 Q 4.0037 8.1390 120.2496 57.2278 28.3090 180.7119 51 D 5.0531 7.9138 119.5262 51.9035 43.4078 176.6715 52 G 3.7506 8.4898 114.6291 47.7866 0.0000 174.8993 53 E 4.2127 8.6044 122.9470 59.6826 29.6487 179.8458 54 K 4.0564 8.2662 123.3278 59.9453 31.8096 180.0948 55 Y 4.3297 8.3053 120.8585 60.7612 38.7109 178.0769 56 I 3.6209 7.9839 120.5176 64.6128 36.9231 178.0490 57 E 4.1035 8.3977 119.8681 59.4041 27.9211 178.6995 58 E 3.9352 8.4166 118.7117 59.3751 29.4949 179.1212 59 L 3.9427 7.9690 120.4419 57.8154 41.8536 178.6928 60 F 3.9461 8.2726 117.4981 60.7641 38.9331 177.3578 61 L 4.2060 7.5384 117.1877 57.3393 41.4489 178.8956 62 E 4.3991 7.4344 115.7018 57.3960 31.5643 177.5423 63 K 4.3669 8.0168 119.0745 52.5171 32.9544 175.0166 64 P 3.7889 0.0000 0.0000 65.2757 31.4279 178.2777 65 D 4.2060 7.8496 118.6216 56.5256 39.1507 178.5971 66 L 3.8679 7.6142 120.2403 56.9207 41.6870 178.8378 67 A 3.7787 7.4954 120.7534 55.4104 18.2275 179.7880 68 L 3.8869 7.4762 117.0924 57.7012 41.6098 179.9525 69 R 3.8846 7.6532 117.5764 59.4310 29.9954 179.0869 70 I 3.7412 7.9757 119.6983 64.7093 36.9762 178.2761 71 M 4.0832 8.2323 119.5224 58.9308 31.8101 179.0622 72 T 3.9318 7.8975 115.5260 66.4421 68.6081 177.1883 73 V 3.6387 7.9108 120.5082 65.9349 31.6227 178.2006 74 R 3.9608 8.2508 116.2119 59.3301 29.1103 178.4521 75 E 3.9116 7.9994 120.0771 59.2329 29.7871 178.3144 76 H 4.3674 8.3665 118.2355 59.3282 29.9314 177.0518 77 I 3.6630 8.4005 121.7369 64.5010 36.9293 178.1824 78 A 4.0336 7.9911 121.2757 55.4145 18.0347 179.6049 79 E 3.9383 8.0426 115.7063 59.2838 29.5071 179.0740 80 E 4.3093 7.9980 118.0867 58.3609 30.1798 178.0339 81 I 4.6342 8.0181 111.3018 61.4881 39.0036 177.5836 82 A 4.0530 8.2214 123.7248 55.2082 18.0088 179.2642 83 E 3.8755 7.9942 113.9665 58.6139 29.7572 178.1279 84 F 4.7269 7.9905 117.6309 58.0386 39.5543 177.7772 85 L 4.0733 7.8844 119.3618 57.1367 41.3234 177.1395 86 P 4.2382 0.0000 0.0000 65.8109 31.2769 178.0615 87 E 3.9772 8.2805 116.4523 60.1272 29.5594 179.4798 88 M 4.1395 7.9087 118.3251 58.2176 31.9680 179.0260 89 V 3.6723 8.0712 118.6021 65.6008 31.8075 178.3300 90 V 3.5710 8.0251 118.4186 66.3769 31.5069 178.2816 91 T 4.0686 8.4724 109.9927 64.3369 68.5183 176.8144 92 G 3.5665 7.9688 108.4768 47.7742 0.0000 175.7702 93 I 3.7141 7.8067 122.5852 64.2130 37.2621 178.6254 94 Q 4.1299 8.3412 121.3176 59.6812 28.5330 179.5591 95 Q 4.0559 8.3741 121.6238 59.8206 27.9506 180.4560 96 A 4.1512 8.1259 121.9336 55.1961 18.9222 178.8537 97 N 4.3585 8.5790 115.7141 57.1362 38.5300 177.5041 98 M 4.2517 8.1665 119.6127 58.5862 31.5042 178.8509 99 E 4.0432 8.3157 119.7999 60.6988 29.7603 183.9330 100 K 4.2863 7.8983 117.7155 59.4637 32.0243 179.6479 101 R 4.0552 8.0503 120.5334 59.6207 29.8613 179.6470 102 R 4.1700 7.7188 122.3586 61.8729 29.4972 182.3387 103 Q 4.4287 8.0688 122.5126 61.1441 28.2232 179.7083 *104 H 4.9090 7.8938 121.0203 58.5067 29.3759 177.3630 105 L 4.3927 7.8019 124.8884 54.4600 40.7021 179.2462 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 M 8.30 4.38 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 N 7.81 4.44 0.00 2.84 2.72 0.00 0.00 7.07 5.78 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 3 L 8.92 3.99 0.00 1.73 1.70 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.04 3.94 0.00 1.79 1.87 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.50 7.81 5 Q 8.09 3.95 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 6 I 8.24 3.66 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 1.45 0.61 0.91 0.00 0.00 7 A 8.35 3.94 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 8 K 7.90 3.74 0.00 2.00 2.05 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.52 7.81 9 D 8.34 4.41 0.00 2.91 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.43 3.91 4.38 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 1.21 0.00 0.00 11 A 8.63 4.06 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 12 K 8.08 3.98 0.00 1.79 1.84 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.36 7.81 13 T 7.90 4.12 4.41 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 1.20 0.00 0.00 14 L 8.10 3.95 0.00 1.95 1.90 1.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.43 3.98 0.00 2.16 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.60 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 16 S 8.17 4.40 0.00 4.05 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 17 Y 7.99 4.34 0.00 3.26 3.14 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 0.00 0.00 0.00 18 L 8.53 4.06 0.00 1.93 1.75 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.88 3.89 4.30 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 1.34 0.00 0.00 20 Y 7.55 3.93 0.00 2.92 2.88 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 0.00 0.00 0.00 21 Q 7.87 3.50 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 22 A 8.10 3.93 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 3.88 0.00 1.68 1.61 1.06 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.35 3.75 0.00 1.80 1.76 0.00 2.29 0.00 0.00 2.75 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.10 0.00 25 T 7.64 3.80 4.35 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 1.18 0.00 0.00 26 V 7.75 3.93 2.10 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 1.07 0.00 0.00 0.96 0.00 0.00 27 L 8.20 3.93 0.00 2.07 1.78 1.06 1.34 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 28 A 8.07 3.97 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 29 Q 8.35 3.95 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 30 L 8.60 4.10 0.00 1.86 1.75 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.17 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 32 E 7.75 4.17 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 2.34 2.45 0.00 33 T 7.78 4.38 4.23 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 1.26 0.00 0.00 34 N 8.60 5.00 0.00 2.62 2.67 0.00 0.00 7.07 7.60 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 35 P 0.00 4.26 0.00 2.20 2.13 0.00 3.66 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 2.13 2.38 0.00 36 P 0.00 4.32 0.00 2.18 2.13 0.00 3.80 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 2.12 2.16 0.00 37 L 7.99 4.10 0.00 1.77 1.80 0.70 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.27 4.06 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 39 L 7.97 3.92 0.00 1.84 1.95 0.97 1.02 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 40 W 8.34 4.06 0.00 3.54 3.43 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 41 L 8.58 4.20 0.00 2.18 1.97 1.23 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.54 4.15 0.00 3.27 3.52 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.15 4.29 0.00 2.63 2.76 0.00 0.00 7.08 7.77 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 44 F 7.85 3.89 0.00 1.59 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 45 S 8.34 4.54 0.00 4.03 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 46 A 6.98 3.77 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 47 G 8.72 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 48 K 7.89 4.50 0.00 1.94 2.01 0.00 0.93 0.00 0.00 1.38 0.00 0.00 2.32 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.25 1.14 7.81 49 V 7.74 3.94 1.92 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 0.35 0.00 0.00 0.81 0.00 0.00 50 Q 8.14 4.00 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 51 D 7.91 5.05 0.00 2.77 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 52 G 8.49 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.60 4.21 0.00 2.10 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 2.39 2.51 0.00 54 K 8.27 4.06 0.00 1.76 1.82 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.07 7.81 55 Y 8.31 4.33 0.00 3.36 3.27 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 56 I 7.98 3.62 2.01 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.81 1.08 0.00 0.00 57 E 8.40 4.10 0.00 2.29 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 2.34 2.45 0.00 58 E 8.42 3.94 0.00 2.35 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 2.40 2.57 0.00 59 L 7.97 3.94 0.00 1.50 1.58 0.56 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.27 3.95 0.00 3.31 3.08 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 0.00 0.00 0.00 0.00 61 L 7.54 4.21 0.00 1.69 1.79 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 62 E 7.43 4.40 0.00 1.89 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 0.00 2.53 2.57 0.00 63 K 8.02 4.37 0.00 1.33 1.38 0.00 0.74 0.00 0.00 0.61 0.00 0.00 2.19 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.89 1.13 7.81 64 P 0.00 3.79 0.00 2.31 2.54 0.00 3.58 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 65 D 7.85 4.21 0.00 2.82 2.88 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 0.00 0.00 0.00 66 L 7.61 3.87 0.00 1.78 1.68 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.50 3.78 0.53 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 68 L 7.48 3.89 0.00 1.78 1.70 0.99 1.19 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 69 R 7.65 3.88 0.00 2.02 1.96 0.00 3.10 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 70 I 7.98 3.74 2.04 0.00 0.00 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 1.59 0.71 1.04 0.00 0.00 71 M 8.23 4.08 0.00 2.11 2.32 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.68 0.00 72 T 7.90 3.93 4.40 0.00 0.00 0.00 0.00 0.00 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 73 V 7.91 3.64 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 1.09 0.00 0.00 0.97 0.00 0.00 74 R 8.25 3.96 0.00 2.10 2.34 0.00 3.05 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.69 0.00 75 E 8.00 3.91 0.00 2.26 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 0.00 2.48 2.34 0.00 76 H 8.37 4.37 0.00 3.42 3.41 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.40 3.66 1.94 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 1.43 0.54 0.94 0.00 0.00 78 A 7.99 4.03 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 79 E 8.04 3.94 0.00 2.20 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 0.00 2.37 2.52 0.00 80 E 8.00 4.31 0.00 2.15 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 0.00 2.62 2.40 0.00 81 I 8.02 4.63 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.98 0.99 0.00 0.00 82 A 8.22 4.05 1.44 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 83 E 7.99 3.88 0.00 1.81 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 1.48 1.47 0.00 84 F 7.99 4.73 0.00 3.14 3.09 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 85 L 7.88 4.07 0.00 1.85 1.75 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.24 0.00 2.16 2.11 0.00 3.62 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 2.10 2.19 0.00 87 E 8.28 3.98 0.00 2.08 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 0.00 2.44 2.46 0.00 88 M 7.91 4.14 0.00 2.03 2.24 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.57 0.00 89 V 8.07 3.67 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 0.99 0.00 0.00 0.94 0.00 0.00 90 V 8.03 3.57 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 0.99 0.00 0.00 91 T 8.47 4.07 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 1.25 0.00 0.00 92 G 7.97 3.57 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 0.00 93 I 7.81 3.71 2.09 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 1.51 0.62 0.91 0.00 0.00 94 Q 8.34 4.13 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.69 0.00 95 Q 8.37 4.06 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 96 A 8.13 4.15 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 97 N 8.58 4.36 0.00 2.93 2.90 0.00 0.00 6.85 7.64 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 98 M 8.17 4.25 0.00 2.44 2.32 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 2.77 2.65 0.00 99 E 8.32 4.04 0.00 2.01 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 2.24 2.22 0.00 100 K 7.90 4.29 0.00 2.14 1.87 0.00 1.51 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.51 7.81 101 R 8.05 4.06 0.00 1.85 1.97 0.00 3.12 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.89 0.00 102 R 7.72 4.17 0.00 1.90 1.84 0.00 3.27 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 1.58 1.51 0.00 103 Q 8.07 4.43 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 *104 H 7.89 4.91 0.00 2.93 2.88 0.00 7.18 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.80 4.39 0.00 1.71 1.47 0.92 0.87 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 * Residues marked with a * may have inaccurate shift predictions.