NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.6222 8.4449 116.3160 55.2875 29.5162 172.4922 *2 D 4.3592 8.5314 123.9050 54.0150 41.7988 174.7965 3 I 4.4312 8.2687 124.7236 59.9479 38.7381 174.9234 4 R 4.4832 8.9487 127.5622 54.6558 32.3359 174.0086 5 Y 5.1115 8.4021 123.1688 56.2942 40.6038 175.0075 6 F 4.7760 9.3208 121.7215 55.8500 42.9712 175.3946 7 G 4.3022 8.7906 110.8745 46.9610 0.0000 173.6028 8 T 4.4329 7.7107 113.9015 63.1068 69.9367 175.0647 9 T 4.5350 8.4238 115.7784 58.6590 71.4462 173.2945 10 P 4.3338 0.0000 0.0000 64.5586 31.5409 177.3156 11 R 4.3982 7.1945 116.3366 57.5449 31.4468 175.1030 12 Y 4.8480 7.3885 113.5076 56.1233 41.0174 172.8690 13 S 5.1764 8.4098 116.0958 56.7663 64.8574 174.6409 14 E 4.0465 8.6621 122.7208 59.0487 30.3161 176.8737 15 A 5.1489 8.1379 119.3003 50.3670 23.4230 175.5665 16 V 4.8077 9.2380 119.9093 61.2456 35.0707 174.3579 17 G 4.6703 9.5912 115.4541 44.6495 0.0000 172.2081 18 A 4.9719 9.0955 124.9173 51.1890 23.1559 176.0315 19 N 3.9728 9.9472 121.8715 54.6404 37.6197 175.1408 20 G 4.0145 8.2034 104.8995 45.3608 0.0000 173.4693 21 L 4.8304 7.6273 119.8013 54.1452 43.9359 176.0107 22 I 5.0962 8.3442 121.5260 59.8833 41.4694 174.0919 23 F 5.1512 9.4986 126.3129 55.7339 41.1801 174.7247 24 L 5.0154 8.5899 124.1270 53.0269 43.1819 176.9559 25 S 4.1618 8.5504 119.1537 58.5936 63.5944 176.7333 26 G 4.2905 8.0694 108.1781 44.8457 0.0000 173.1783 *28 V 3.3996 7.9965 112.2308 60.1077 32.5203 173.5395 29 P 4.4838 0.0000 0.0000 62.7806 31.6595 176.5515 30 E 4.6796 9.7961 120.8026 56.4479 30.9070 175.6481 31 N 4.9312 7.8442 114.5618 52.6766 42.7666 174.9377 32 G 4.2114 8.8902 104.3578 46.0324 0.0000 172.9979 33 E 4.5362 9.4130 116.6819 57.0749 31.7265 177.7133 34 T 4.2624 7.8910 108.8577 60.5274 71.2528 175.0508 35 A 3.9716 8.6254 123.6998 55.4710 18.2876 179.9831 36 A 3.9051 8.4601 118.9502 55.3930 18.5160 179.4940 37 E 3.9089 8.0625 116.9763 59.8774 29.5232 179.8771 38 Q 4.1180 8.2587 117.8244 59.1969 28.7030 178.7738 39 T 3.7700 8.2807 116.9473 66.6221 68.6045 176.2558 40 A 3.8894 8.0527 122.5421 55.2647 18.3944 179.1635 41 D 4.2052 8.1743 116.3827 57.5190 41.3486 178.6666 42 V 3.4966 8.0000 119.0811 66.0015 31.5341 178.0287 43 L 3.4448 7.9694 118.7139 57.3746 41.2976 179.3755 44 A 4.0802 7.8459 120.7491 55.1119 18.2142 179.6764 45 Q 3.9945 8.0519 116.6170 59.1481 28.7095 179.0253 46 I 3.8229 7.8488 120.7668 64.4810 37.1814 177.9439 47 D 4.5387 8.3339 119.6170 57.7178 40.8247 179.3298 48 R 3.8338 7.8892 117.9349 59.1651 29.9905 179.3088 49 W 4.2574 8.3607 118.8592 59.5993 29.0210 178.6056 50 L 3.9753 8.4295 119.0758 57.7896 41.1994 179.2334 51 A 4.1387 8.0825 120.6032 55.4628 18.0314 179.5317 52 E 3.9474 7.7335 115.3995 59.2261 29.5836 178.3943 53 C 4.0535 7.4070 113.7277 58.5747 28.8489 173.5296 54 G 3.7714 8.0926 109.0080 46.8131 0.0000 173.2018 55 S 4.6500 7.9461 114.8558 57.8042 65.6371 171.0795 56 D 4.4597 7.8762 117.8166 52.7970 41.0227 176.3682 57 K 3.8112 8.5395 117.5912 59.1197 32.4667 177.4615 58 A 4.2386 7.7751 121.2954 52.7351 18.7748 176.9877 59 H 4.8146 8.4119 114.0604 55.4675 29.8386 173.3376 60 V 4.1955 7.7835 119.5447 62.7829 32.2795 175.5073 61 L 4.4162 9.0114 127.5892 56.8225 43.2160 176.3201 62 D 5.2667 7.8806 116.5788 52.6420 45.2687 173.8576 63 A 5.1764 9.2170 126.2728 50.3489 22.8234 174.7589 64 V 4.3860 8.8916 123.3797 61.1032 34.0001 174.3638 65 I 4.6633 8.2408 129.3181 59.7823 39.5338 174.0958 66 Y 5.0960 8.8992 125.9363 56.5395 39.8675 174.6838 67 L 5.2025 8.6633 124.1929 52.7898 43.8786 177.5781 68 R 4.0511 8.6721 124.1213 58.8729 30.7881 175.3136 69 D 4.4705 7.6243 116.1453 53.1578 43.7069 174.6848 *71 G 3.8889 8.5696 105.0691 45.6474 0.0000 173.0855 72 D 4.7717 8.2665 119.6718 54.3342 41.0836 177.5633 73 Y 4.0435 8.2070 121.1094 60.8921 39.1073 177.3527 74 A 3.9843 8.2326 121.9643 55.3222 18.4556 179.5312 75 E 4.1100 7.6853 113.3897 57.2327 29.2414 178.0621 *77 N 4.4960 8.3585 116.6775 52.8246 40.2515 176.6358 78 G 3.9080 8.4326 105.3267 48.1815 0.0000 175.7902 79 V 3.6929 7.1512 119.0079 65.0406 31.9497 177.3257 80 W 4.4612 8.3133 127.7060 61.0178 30.2540 177.3951 81 D 4.4374 8.8823 117.2854 57.4025 40.3636 178.4103 82 A 4.1534 7.6567 118.6742 53.6423 18.5148 178.7677 83 W 4.3106 7.7333 126.2826 58.7353 31.5494 177.3339 84 V 2.9158 6.8115 109.7943 61.0385 31.7398 175.2968 85 A 3.9698 7.8047 125.1604 50.9543 19.1342 177.1687 86 A 4.0887 8.3343 126.8725 53.3323 18.8809 178.0434 87 G 3.9970 8.9266 109.8518 45.9973 0.0000 173.6262 88 R 4.6649 7.8017 118.5482 55.5914 31.1930 175.5418 89 T 4.2247 7.8506 107.4632 60.4339 70.1792 172.6544 90 P 4.7967 0.0000 0.0000 61.6009 33.3322 175.3009 91 A 4.2461 8.7816 122.1865 52.5119 19.2707 176.7487 92 R 5.0774 8.4300 119.9819 54.7622 33.6908 174.0178 93 A 4.6944 8.6088 125.3086 50.3965 23.1608 174.5963 94 C 4.9740 8.5417 120.3272 57.7710 34.1823 173.4259 95 V 4.5418 8.3787 118.5665 59.3942 36.0188 174.0675 96 E 4.9579 8.6791 122.9999 55.2993 30.1206 175.2305 97 A 4.7643 9.0657 127.9453 50.5670 23.1311 175.6501 98 R 4.1301 8.7211 121.0360 56.3276 30.8536 176.3698 99 L 4.6499 8.3280 121.7593 52.6965 44.2722 177.2342 100 A 4.1279 8.8252 121.4835 54.4113 18.5469 177.9511 101 R 4.3286 6.8188 115.3848 53.1407 33.1016 175.0462 102 P 4.2267 0.0000 0.0000 65.5464 31.4229 177.3926 103 E 4.1419 7.8176 115.2185 57.5132 30.1110 176.7900 104 W 4.6950 7.6914 121.2678 57.0625 29.5069 175.9989 105 R 4.7764 10.0643 122.7254 56.4111 31.6944 176.3644 106 V 5.0978 7.5973 117.2798 60.2216 34.6026 173.8214 107 E 4.6722 9.2844 123.4316 54.6041 33.3479 173.8720 108 I 4.9718 8.3867 126.1024 59.3102 40.5560 174.4944 109 K 4.5928 9.2626 128.4629 54.7289 34.5561 174.5508 110 I 5.0856 8.4485 127.8161 59.8345 40.4278 174.4625 111 T 4.7948 8.7402 122.7092 61.7869 71.2897 173.3615 112 A 5.0495 8.9041 126.7260 50.7570 23.5540 174.6931 113 V 4.8640 8.2195 111.1248 59.2646 34.8714 176.8421 114 K 4.2711 8.6221 123.0443 56.3689 32.9414 177.5798 115 R 3.8931 8.1893 120.4655 56.6271 29.9383 176.7975 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 0 H 8.44 4.62 0.00 3.27 3.43 0.00 5.54 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 *2 D 8.53 4.36 0.00 2.72 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 3 I 8.27 4.43 1.73 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.49 0.22 0.00 0.00 4 R 8.95 4.48 0.00 1.74 1.66 0.00 3.06 0.00 0.00 2.94 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.41 0.00 5 Y 8.40 5.11 0.00 2.78 2.80 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 6 F 9.32 4.78 0.00 2.82 3.22 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 7 G 8.79 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 0.00 0.00 0.00 0.00 8 T 7.71 4.43 4.20 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 1.07 0.00 0.00 9 T 8.42 4.54 3.94 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 0.75 0.00 0.00 10 P 0.00 4.33 0.00 2.01 2.11 0.00 3.53 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 1.98 2.02 0.00 11 R 7.19 4.40 0.00 1.84 2.00 0.00 3.52 0.00 0.00 3.40 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.63 0.00 12 Y 7.39 4.85 0.00 3.21 3.03 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 13 S 8.41 5.18 0.00 3.93 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 0.00 14 E 8.66 4.05 0.00 1.16 1.12 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 2.45 2.25 0.00 15 A 8.14 5.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 9.24 4.81 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 0.79 0.00 0.00 1.05 0.00 0.00 17 G 9.59 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 9.10 4.97 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 19 N 9.95 3.97 0.00 2.84 2.88 0.00 0.00 7.24 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 20 G 8.20 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 21 L 7.63 4.83 0.00 1.93 1.51 1.05 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.34 5.10 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.64 0.88 0.00 0.00 23 F 9.50 5.15 0.00 2.92 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 24 L 8.59 5.02 0.00 1.53 1.54 1.00 0.84 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 25 S 8.55 4.16 0.00 3.57 3.55 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 26 G 8.07 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.00 3.40 0.67 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 0.11 0.00 0.00 0.11 0.00 0.00 29 P 0.00 4.48 0.00 2.04 1.92 0.00 2.24 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.97 0.00 30 E 9.80 4.68 0.00 1.89 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 2.28 2.23 0.00 31 N 7.84 4.93 0.00 2.83 2.67 0.00 0.00 7.09 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 32 G 8.89 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 0.00 0.00 0.00 0.00 33 E 9.41 4.54 0.00 2.01 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 2.42 2.22 0.00 34 T 7.89 4.26 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 1.23 0.00 0.00 35 A 8.63 3.97 1.41 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 0.00 0.00 0.00 36 A 8.46 3.91 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 37 E 8.06 3.91 0.00 2.20 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 0.00 2.34 2.38 0.00 38 Q 8.26 4.12 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.78 0.00 0.00 0.00 0.00 0.00 2.67 2.59 0.00 39 T 8.28 3.77 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 1.21 0.00 0.00 40 A 8.05 3.89 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 41 D 8.17 4.21 0.00 2.86 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 V 8.00 3.50 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 0.86 0.00 0.00 0.84 0.00 0.00 43 L 7.97 3.44 0.00 1.38 0.23 0.50 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.85 4.08 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 45 Q 8.05 3.99 0.00 2.36 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 46 I 7.85 3.82 2.01 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.75 1.12 0.00 0.00 47 D 8.33 4.54 0.00 3.00 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 48 R 7.89 3.83 0.00 1.87 1.68 0.00 2.99 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.82 0.00 49 W 8.36 4.26 0.00 3.53 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.43 3.98 0.00 1.93 1.70 1.04 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.08 4.14 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 52 E 7.73 3.95 0.00 2.26 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 2.31 1.93 0.00 53 C 7.41 4.05 0.00 2.84 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 54 G 8.09 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 55 S 7.95 4.65 0.00 3.68 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 56 D 7.88 4.46 0.00 2.81 2.68 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 57 K 8.54 3.81 0.00 0.79 1.55 0.00 0.61 0.00 0.00 1.15 0.00 0.00 2.44 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.00 0.80 7.81 58 A 7.78 4.24 1.20 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 0.00 0.00 59 H 8.41 4.81 0.00 3.26 3.36 0.00 5.81 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.78 4.20 2.12 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 0.99 0.00 0.00 1.04 0.00 0.00 61 L 9.01 4.42 0.00 1.68 1.67 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.88 5.27 0.00 2.75 2.44 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 63 A 9.22 5.18 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 64 V 8.89 4.39 1.95 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 0.40 0.00 0.00 0.89 0.00 0.00 65 I 8.24 4.66 1.60 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.30 0.78 0.00 0.00 66 Y 8.90 5.10 0.00 2.87 2.87 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 67 L 8.66 5.20 0.00 1.61 1.59 1.03 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.67 4.05 0.00 2.04 2.02 0.00 3.37 0.00 0.00 3.04 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.47 0.00 69 D 7.62 4.47 0.00 2.71 2.66 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 0.00 0.00 0.00 *71 G 8.57 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 72 D 8.27 4.77 0.00 2.92 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 73 Y 8.21 4.04 0.00 2.78 3.01 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 74 A 8.23 3.98 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 75 E 7.69 4.11 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 2.37 2.29 0.00 *77 N 8.36 4.50 0.00 2.78 2.75 0.00 0.00 6.87 7.95 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 78 G 8.43 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 79 V 7.15 3.69 2.12 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 0.83 0.00 0.00 1.05 0.00 0.00 80 W 8.31 4.46 0.00 3.47 3.22 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 81 D 8.88 4.44 0.00 2.74 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 82 A 7.66 4.15 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 83 W 7.73 4.31 0.00 3.20 3.11 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 0.00 0.00 0.00 0.00 84 V 6.81 2.92 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 -0.15 0.00 0.00 0.78 0.00 0.00 85 A 7.80 3.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.33 4.09 1.18 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 0.00 0.00 87 G 8.93 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.80 4.66 0.00 1.62 1.75 0.00 3.06 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 89 T 7.85 4.22 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 1.23 0.00 0.00 90 P 0.00 4.80 0.00 2.26 2.37 0.00 4.04 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.31 0.00 91 A 8.78 4.25 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 92 R 8.43 5.08 0.00 1.79 1.66 0.00 2.21 0.00 0.00 2.95 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.26 0.00 93 A 8.61 4.69 1.10 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 0.00 0.00 94 C 8.54 4.97 0.00 2.85 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 95 V 8.38 4.54 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 0.57 0.00 0.00 0.91 0.00 0.00 96 E 8.68 4.96 0.00 1.97 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 2.27 2.43 0.00 97 A 9.07 4.76 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 98 R 8.72 4.13 0.00 1.71 1.88 0.00 3.18 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 99 L 8.33 4.65 0.00 2.00 1.90 1.12 1.00 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 0.00 100 A 8.83 4.13 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 0.00 101 R 6.82 4.33 0.00 0.67 1.18 0.00 2.21 0.00 0.00 2.86 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.50 0.00 102 P 0.00 4.23 0.00 2.12 2.13 0.00 3.53 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.87 0.00 103 E 7.82 4.14 0.00 2.13 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 2.24 2.30 0.00 104 W 7.69 4.70 0.00 3.45 3.02 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 0.00 105 R 10.06 4.78 0.00 1.82 1.99 0.00 3.15 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 106 V 7.60 5.10 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 0.63 0.00 0.00 0.91 0.00 0.00 107 E 9.28 4.67 0.00 1.98 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 2.25 2.17 0.00 108 I 8.39 4.97 1.83 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 1.15 0.74 0.94 0.00 0.00 109 K 9.26 4.59 0.00 1.89 1.78 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 110 I 8.45 5.09 1.93 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.91 0.98 0.00 0.00 111 T 8.74 4.79 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 0.66 0.00 0.00 112 A 8.90 5.05 1.20 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 0.00 0.00 113 V 8.22 4.86 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 0.69 0.00 0.00 1.01 0.00 0.00 114 K 8.62 4.27 0.00 1.62 1.72 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.65 1.43 7.81 115 R 8.19 3.89 0.00 1.73 1.74 0.00 3.11 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.51 0.00 * Residues marked with a * may have inaccurate shift predictions.