NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6217 8.3044 120.3580 55.5952 33.4434 174.5373 2 D 4.5374 8.4962 116.3995 54.2364 43.8074 174.5549 3 L 4.0810 8.4972 119.9919 53.5018 43.5063 175.5932 4 P 4.1345 0.0000 0.0000 65.3603 31.6341 177.4518 5 Y 4.4388 6.3370 113.6926 56.7816 38.6155 174.2030 6 Y 4.9649 7.5028 122.7180 58.0268 38.8736 174.0589 7 H 4.6916 9.8424 126.1102 54.1956 30.5187 175.9979 8 G 3.4357 8.2759 112.5413 47.0263 0.0000 173.5695 9 C 4.1859 7.6356 121.0570 57.8079 29.9020 171.1525 10 L 4.1444 7.5809 121.5611 52.8200 43.1744 174.9168 11 T 4.3980 8.1636 119.0490 60.3562 70.9539 174.6858 12 K 3.8701 8.8153 123.3696 60.0752 32.1281 178.8337 13 R 4.7123 7.8273 119.2481 59.1150 30.0876 178.0173 14 E 3.9701 8.3338 118.5563 59.7283 29.5947 179.0388 15 C 4.1579 8.7566 119.3255 62.3460 31.5738 175.4617 16 E 4.0197 8.6050 120.6776 59.0915 29.1796 179.0581 17 A 4.0230 8.5322 121.3724 54.8616 18.2490 179.1430 18 L 4.2467 7.7680 115.4616 56.1986 41.9765 178.3985 19 L 4.4248 7.3524 117.8111 56.5121 42.7244 178.4939 20 L 4.2235 7.8521 119.1519 57.2503 41.5981 179.2974 21 K 4.5083 7.5450 115.8003 57.3206 32.7789 178.6512 22 G 3.7029 9.2573 109.4353 49.8123 0.0000 173.3862 23 G 3.6013 7.3387 112.8298 44.5925 0.0000 173.6136 24 V 3.8320 7.1538 122.9959 61.3902 32.7842 176.2897 25 D 4.5628 8.3421 124.9332 55.3312 41.4691 176.9702 26 G 4.0220 10.0879 110.4447 45.0209 0.0000 173.0113 27 N 5.2502 8.6777 119.4811 53.0754 39.6349 174.3347 28 F 6.0408 9.1467 117.7278 55.4635 42.1659 173.0122 29 L 4.8991 8.5097 118.4846 55.2236 44.1388 173.4961 30 I 5.2025 8.9254 120.3928 59.7523 39.7131 175.3863 31 R 5.8540 8.6670 121.6292 53.3018 33.6614 173.7244 32 D 5.0187 8.7235 118.9873 53.9907 41.6288 176.7312 33 S 4.2978 8.8324 118.4559 58.5240 62.2636 174.0193 34 E 4.3023 8.8899 125.3137 58.7327 30.2173 179.1544 35 S 4.0672 8.2105 113.9877 60.7079 63.3646 174.3941 36 V 4.2230 7.6684 123.4613 60.0590 30.8469 172.3734 37 P 4.5655 0.0000 0.0000 63.6594 31.6225 177.1014 38 G 3.9825 9.2056 111.5121 44.9859 0.0000 173.1962 39 A 4.6715 8.0560 121.6355 51.2506 20.8073 175.9825 40 L 5.2934 8.9479 118.4452 53.2324 46.0621 175.7691 41 C 5.4420 9.0661 117.7399 57.9564 31.7644 173.2288 42 L 4.6402 9.0943 127.3292 54.7088 43.0929 175.0757 43 C 5.6834 9.2599 124.2673 58.0277 31.5844 173.4957 44 V 5.3418 9.0060 121.9459 60.2236 34.7731 174.3255 45 S 5.2003 9.3872 117.8677 57.8870 65.0576 173.0593 46 F 5.0153 9.5934 123.8611 57.7456 43.0552 174.1953 47 K 3.3354 10.3238 130.5658 58.2985 29.7881 175.5888 48 K 3.9553 8.0540 110.9082 54.9287 29.6260 177.1384 49 L 4.6022 7.5073 115.9062 54.3656 46.0150 174.6497 50 V 4.8143 8.0116 120.6869 61.8393 33.2601 174.4745 51 Y 4.5494 9.4192 125.2761 56.3415 40.4277 174.6275 52 S 5.2392 8.5467 120.2890 56.8914 65.5164 173.1253 53 Y 4.4758 9.0059 122.4362 55.8871 40.3141 175.6967 54 R 4.4151 8.5867 123.6733 56.2432 31.9478 175.7356 55 I 4.7220 9.0782 123.6049 59.6019 40.4706 174.4060 56 F 5.1770 9.2110 126.4548 55.8739 41.1426 175.0444 57 R 4.5062 8.7209 123.7832 55.8921 31.1075 175.2595 58 E 4.5162 8.8889 125.4721 54.9272 32.7281 177.5470 59 K 4.2461 8.1662 117.7530 59.7043 32.5526 177.5263 60 H 4.6326 8.0848 115.6328 56.2504 29.2613 176.3540 61 G 3.7155 8.1578 105.6765 46.2286 0.0000 174.2811 62 Y 4.6237 7.4654 116.7966 57.6948 39.8440 173.7785 63 Y 5.1638 9.5146 119.4414 56.3774 40.9458 174.8875 64 R 5.0868 9.5279 124.9030 54.5662 32.7505 174.1512 65 I 4.5319 8.4707 127.3499 60.1488 39.2549 175.0194 66 E 4.4179 9.0664 130.6267 56.8199 29.6546 176.2828 67 T 4.6313 8.5289 117.5040 59.6750 71.1928 173.9443 68 D 4.6392 8.3261 122.0808 52.6127 40.3664 176.9137 69 A 4.1612 8.5017 121.4852 54.4415 18.2967 177.8058 70 H 4.9609 8.5707 112.7141 55.4214 29.4622 173.8719 71 T 4.6697 7.6089 115.1364 60.7826 71.6607 172.4642 72 P 4.2199 0.0000 0.0000 62.4216 31.9188 176.0464 73 R 3.7835 8.5996 121.5946 57.4049 30.2357 175.4571 74 T 4.5601 8.6130 115.2539 59.8505 71.0554 172.8410 75 I 5.0496 8.0021 119.1944 58.8477 40.9273 174.7555 76 F 5.0568 9.3250 121.5457 55.4113 42.4378 174.6481 77 P 4.8082 0.0000 0.0000 64.8623 31.4811 176.0142 78 N 5.1560 7.8534 114.8566 50.8552 41.3977 174.6778 79 L 3.7787 7.9538 121.1012 57.6878 42.0183 178.4099 80 Q 4.0908 7.8887 117.2934 59.1807 28.1372 177.9934 81 E 3.9733 8.0550 119.4282 58.2283 29.5194 178.6447 82 L 2.4400 6.8993 121.3827 57.4069 42.2108 178.9311 83 V 3.4695 7.5695 118.1873 65.6763 31.1704 177.9456 84 S 4.0583 7.9393 112.7119 60.9996 62.3122 175.7796 85 K 3.8922 7.2734 121.3510 59.1883 31.9249 177.5485 86 Y 4.5886 7.2092 114.6712 58.2540 37.6547 177.2345 87 G 3.9046 7.3827 106.7371 45.1324 0.0000 174.1748 88 K 4.3735 6.9801 121.1866 54.0578 33.3239 175.0539 89 P 4.2517 0.0000 0.0000 63.3970 31.8490 175.5257 90 G 3.9191 8.3450 105.0669 47.2154 0.0000 174.1465 91 Q 4.3727 8.0204 115.2749 55.1884 29.2201 176.6467 92 G 4.0271 8.1691 105.0431 45.3357 0.0000 173.7979 93 L 4.4002 7.3327 119.3149 52.4668 43.8900 176.8338 94 V 3.4329 7.9473 119.4094 64.3198 31.3710 177.1166 95 V 4.2061 6.7854 116.9365 59.9037 33.7762 173.5157 96 H 4.4134 8.5151 117.7494 55.1866 29.7415 173.9932 97 L 4.1102 8.6802 119.8350 54.0752 42.0240 176.3805 98 S 4.5615 9.0663 118.3028 59.4063 64.9977 174.8996 99 N 4.7796 8.9441 125.9624 50.7174 39.4304 171.4714 100 P 3.3938 0.0000 0.0000 62.6402 32.1097 176.4927 101 I 4.0761 7.9682 127.3612 60.4175 37.1392 176.3498 102 M 4.2936 8.6019 129.5652 55.6223 32.8169 177.7088 *103 R 4.0103 8.0217 118.8293 56.5318 30.2149 176.1548 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 4.62 0.00 2.26 2.52 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 2 D 8.50 4.54 0.00 2.66 2.60 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 3 L 8.50 4.08 0.00 1.23 1.02 0.80 1.02 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 4 P 0.00 4.13 0.00 2.13 2.06 0.00 3.19 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 5 Y 6.34 4.44 0.00 3.11 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 6 Y 7.50 4.96 0.00 2.76 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 7 H 9.84 4.69 0.00 3.20 3.17 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.28 3.44 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 0.00 9 C 7.64 4.19 0.00 2.90 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 10 L 7.58 4.14 0.00 1.58 1.53 0.99 0.96 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 T 8.16 4.40 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 1.30 0.00 0.00 12 K 8.82 3.87 0.00 1.84 1.86 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.64 1.51 7.81 13 R 7.83 4.71 0.00 1.91 1.90 0.00 3.27 0.00 0.00 3.29 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.57 0.00 14 E 8.33 3.97 0.00 2.19 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 2.33 2.32 0.00 15 C 8.76 4.16 0.00 2.93 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 16 E 8.61 4.02 0.00 2.19 1.96 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 2.30 2.43 0.00 17 A 8.53 4.02 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 18 L 7.77 4.25 0.00 1.74 1.71 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.35 4.42 0.00 1.73 1.75 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.85 4.22 0.00 1.79 1.70 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.54 4.51 0.00 1.96 1.89 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.69 1.38 7.81 22 G 9.26 3.70 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 0.00 0.00 0.00 23 G 7.34 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 24 V 7.15 3.83 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 0.86 0.00 0.00 0.95 0.00 0.00 25 D 8.34 4.56 0.00 2.82 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 26 G 10.09 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 0.00 0.00 0.00 27 N 8.68 5.25 0.00 2.68 2.78 0.00 0.00 6.43 7.80 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 28 F 9.15 6.04 0.00 3.30 3.06 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 0.00 0.00 0.00 29 L 8.51 4.90 0.00 2.04 1.72 0.96 0.37 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 30 I 8.93 5.20 2.12 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.03 0.91 0.00 0.00 31 R 8.67 5.85 0.00 1.92 2.07 0.00 3.07 0.00 0.00 3.29 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.49 0.00 32 D 8.72 5.02 0.00 2.66 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 33 S 8.83 4.30 0.00 3.88 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 34 E 8.89 4.30 0.00 2.08 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 2.34 0.00 35 S 8.21 4.07 0.00 3.89 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 36 V 7.67 4.22 2.25 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 1.24 0.00 0.00 1.10 0.00 0.00 37 P 0.00 4.57 0.00 2.12 2.02 0.00 3.74 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 38 G 9.21 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 39 A 8.06 4.67 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 40 L 8.95 5.29 0.00 1.52 1.55 0.84 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 41 C 9.07 5.44 0.00 2.83 2.81 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 0.00 0.00 0.00 42 L 9.09 4.64 0.00 1.72 1.56 0.91 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 43 C 9.26 5.68 0.00 2.96 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 44 V 9.01 5.34 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 1.04 0.00 0.00 1.08 0.00 0.00 45 S 9.39 5.20 0.00 3.96 4.10 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 0.00 0.00 0.00 0.00 46 F 9.59 5.02 0.00 3.14 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 47 K 10.32 3.34 0.00 1.23 1.61 0.00 1.47 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.03 0.29 7.81 48 K 8.05 3.96 0.00 1.93 1.75 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.26 1.01 7.81 49 L 7.51 4.60 0.00 1.91 1.35 0.80 0.70 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 50 V 8.01 4.81 2.04 0.00 0.00 0.00 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 0.95 0.00 0.00 51 Y 9.42 4.55 0.00 3.04 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 52 S 8.55 5.24 0.00 3.63 3.72 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 53 Y 9.01 4.48 0.00 2.78 2.77 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 54 R 8.59 4.42 0.00 1.52 1.24 0.00 3.16 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 55 I 9.08 4.72 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 1.24 0.94 1.12 0.00 0.00 56 F 9.21 5.18 0.00 3.07 2.94 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 57 R 8.72 4.51 0.00 1.69 1.79 0.00 2.54 0.00 0.00 3.02 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 58 E 8.89 4.52 0.00 2.01 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 2.33 2.51 0.00 59 K 8.17 4.25 0.00 1.82 1.69 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.53 7.81 60 H 8.08 4.63 0.00 3.08 3.13 0.00 5.97 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.16 3.72 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 0.00 0.00 0.00 62 Y 7.47 4.62 0.00 3.04 2.89 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 63 Y 9.51 5.16 0.00 3.11 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 64 R 9.53 5.09 0.00 1.94 2.12 0.00 3.14 0.00 0.00 3.34 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 65 I 8.47 4.53 2.10 0.00 0.00 0.48 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 1.08 1.26 0.00 0.00 66 E 9.07 4.42 0.00 2.24 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 2.47 2.56 0.00 67 T 8.53 4.63 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 1.41 0.00 0.00 68 D 8.33 4.64 0.00 2.97 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 A 8.50 4.16 1.24 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 0.00 0.00 0.00 70 H 8.57 4.96 0.00 3.11 3.30 0.00 5.80 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 7.61 4.67 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 1.25 0.00 0.00 72 P 0.00 4.22 0.00 2.02 1.98 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 73 R 8.60 3.78 0.00 1.74 1.84 0.00 3.12 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 74 T 8.61 4.56 4.10 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 0.00 0.00 0.00 1.28 0.00 0.00 75 I 8.00 5.05 1.79 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.44 0.84 0.00 0.00 76 F 9.33 5.06 0.00 3.16 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.81 0.00 2.16 2.27 0.00 3.93 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 78 N 7.85 5.16 0.00 2.87 2.98 0.00 0.00 5.93 6.67 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 79 L 7.95 3.78 0.00 0.96 1.37 0.33 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 7.89 4.09 0.00 2.31 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 81 E 8.05 3.97 0.00 2.12 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 2.42 2.39 0.00 82 L 6.90 2.44 0.00 1.02 1.46 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.57 3.47 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 0.72 0.00 0.00 0.78 0.00 0.00 84 S 7.94 4.06 0.00 3.97 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 85 K 7.27 3.89 0.00 1.77 0.87 0.00 1.80 0.00 0.00 1.04 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.09 1.35 7.81 86 Y 7.21 4.59 0.00 2.86 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 87 G 7.38 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 0.00 0.00 0.00 88 K 6.98 4.37 0.00 1.76 1.66 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.28 7.81 89 P 0.00 4.25 0.00 2.07 1.81 0.00 3.82 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.85 0.00 90 G 8.35 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 91 Q 8.02 4.37 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.00 0.00 0.00 0.00 0.00 0.00 2.58 2.31 0.00 92 G 8.17 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 93 L 7.33 4.40 0.00 1.47 1.17 0.50 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.95 3.43 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 -0.25 0.00 0.00 0.35 0.00 0.00 95 V 6.79 4.21 1.79 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 0.77 0.00 0.00 0.91 0.00 0.00 96 H 8.52 4.41 0.00 3.40 3.32 0.00 5.51 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.68 4.11 0.00 1.08 0.56 0.31 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 98 S 9.07 4.56 0.00 3.76 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 99 N 8.94 4.78 0.00 2.79 2.77 0.00 0.00 7.16 7.98 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 0.00 100 P 0.00 3.39 0.00 1.84 1.77 0.00 3.67 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 101 I 7.97 4.08 1.80 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 1.14 0.71 0.90 0.00 0.00 102 M 8.60 4.29 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.48 0.00 *103 R 8.02 4.01 0.00 1.40 1.08 0.00 3.07 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 * Residues marked with a * may have inaccurate shift predictions.