NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 E 4.1888 8.4293 121.4628 56.1198 29.5934 175.4172 11 V 3.7385 7.7580 127.3594 59.2182 30.2337 173.7275 12 Q 4.0762 8.9998 127.5030 56.8028 30.2720 178.1654 13 Q 4.1366 8.4057 121.0364 54.6605 29.6808 174.3783 14 P 4.3842 0.0000 0.0000 62.1053 32.0387 176.3498 15 D 4.6076 9.0742 121.6146 54.2227 42.2882 175.9539 16 P 4.7919 0.0000 0.0000 62.2101 30.6311 178.6518 *18 R 4.1527 8.4271 114.4111 55.9497 30.7129 173.9521 19 K 4.6253 8.0458 118.2008 55.6956 35.6204 174.8987 20 N 4.6594 8.5853 116.4895 52.6277 39.1399 174.6036 21 W 4.8751 8.7012 131.9223 55.6895 32.8265 174.7572 22 I 4.2076 6.7802 124.4445 59.2598 40.3146 174.1412 *24 E 3.7724 8.4147 118.8164 57.5655 30.2063 173.4773 25 N 3.6723 8.5834 122.5316 53.6054 38.4243 173.4340 *27 D 4.3676 8.2720 123.1211 53.9032 42.7892 175.5359 28 S 4.2103 8.7024 123.2889 61.7141 62.9579 176.5200 29 G 3.9579 8.2341 107.9860 48.3319 0.0000 175.6266 30 V 3.6858 8.2753 120.8983 65.2307 31.4673 177.9801 31 I 3.6871 7.9610 120.0051 64.6131 37.0109 177.5521 32 Y 3.9992 8.4742 120.4497 60.6294 38.6792 177.5559 33 L 3.9719 8.3990 121.6427 58.3933 42.0998 178.9100 34 L 4.0701 8.4228 120.1801 58.3227 42.1159 178.6290 35 E 3.9739 8.5796 118.9835 59.4048 29.2841 179.4590 36 S 3.9506 7.9326 115.1521 61.3092 62.8962 176.4598 37 W 4.1589 8.2361 130.7400 60.5067 30.4856 177.7871 38 L 3.6904 8.1982 118.7341 57.6905 41.0609 179.3181 39 K 3.7575 8.0551 119.1306 59.4761 31.9919 178.5407 40 A 3.8542 7.9592 120.8363 55.2305 16.7568 179.8553 41 K 3.5761 7.8755 117.3908 59.3727 32.0527 179.5577 42 S 4.3438 8.4222 113.7334 61.0307 62.0692 176.2028 43 Q 3.9866 7.9946 120.5066 58.6718 28.5569 177.7030 44 E 4.2531 8.1042 116.9222 57.6165 30.1272 177.3666 45 T 4.3646 7.1816 112.8558 61.8365 71.1023 176.0850 46 G 3.9332 7.9960 107.0422 45.5273 0.0000 173.8808 47 K 4.3010 7.2067 118.2911 55.2124 33.2721 177.3541 48 E 4.0697 8.5745 121.5212 56.4982 31.2311 178.1818 49 I 3.7139 8.4387 124.1072 64.9536 37.2205 178.9385 50 S 4.2634 8.0972 114.1408 61.4743 62.8160 176.1190 51 D 4.3426 8.0795 122.0144 57.3692 40.7543 178.3618 52 I 3.7443 7.8821 120.3200 64.4011 36.9926 178.3017 53 F 4.2932 8.7284 121.3114 61.2355 39.4694 176.7628 54 A 3.7144 8.3194 120.7537 55.5039 18.1551 179.1884 55 N 4.3298 8.2642 114.8814 56.7717 39.0306 176.9507 56 A 4.0597 8.0640 122.3126 55.1238 18.4763 179.7769 57 V 3.2128 8.0611 117.2644 65.5143 31.4479 177.4636 58 E 3.9958 7.8373 118.2908 58.0415 29.6859 178.0872 59 F 3.9167 8.2919 117.9719 60.6931 38.9651 177.5269 60 N 4.4432 8.2927 114.8921 55.4753 38.7092 176.2196 61 I 4.1114 7.4150 119.3435 63.1222 38.6577 177.9527 62 V 3.2883 7.7902 118.6404 65.6362 31.4619 178.2101 63 L 3.8815 7.8882 120.1378 57.9477 41.7560 178.6225 64 K 3.8423 7.4204 118.2861 59.8167 32.1788 177.7854 65 D 4.4841 7.8477 116.5325 56.4133 41.2924 177.4099 66 W 4.8992 8.7261 118.2253 55.3471 30.1075 177.6172 67 G 4.1673 8.2014 105.0255 45.2371 0.0000 174.6351 68 K 4.0119 8.3273 118.4932 59.2065 32.4394 179.2655 69 E 3.8881 7.9731 118.9042 59.4142 29.9804 178.7952 70 K 3.7087 7.8307 121.1020 58.2274 32.1950 178.3124 71 L 4.1206 7.7192 121.0160 58.3044 42.0118 178.6988 72 E 3.9341 8.0296 118.7328 59.1291 29.4801 178.3638 73 E 3.9050 8.3531 119.6610 59.2841 29.6160 178.9894 74 T 3.8531 8.0929 115.9186 66.7704 68.5721 176.1421 75 N 4.3239 8.2555 118.3783 56.9358 38.6248 177.5784 76 T 3.8635 8.1340 116.7821 66.6471 68.5149 176.1268 77 E 3.9583 8.3452 121.3408 59.5886 29.5373 178.4182 78 Y 4.0354 8.3226 119.2482 60.9332 38.9967 177.4183 79 Q 3.9514 8.3880 119.1411 59.3357 28.8720 179.2327 80 N 4.2463 8.6463 117.2619 56.5755 38.6261 177.3056 81 Q 3.9750 8.1952 119.3596 59.3394 28.8323 179.3701 82 Q 3.7769 8.2342 119.2538 58.6567 28.6244 178.7622 83 R 3.8702 7.8417 120.1792 59.0466 30.0542 178.6480 84 K 3.9510 8.0857 118.6920 60.1810 32.5687 179.0954 85 L 3.9775 8.0500 120.5586 57.3391 41.3868 179.5824 86 R 3.9515 8.0709 118.7656 59.0514 29.9359 178.4902 87 K 3.9847 8.1364 119.5518 59.9665 32.2977 178.9645 88 T 3.9099 8.3060 116.3585 66.8004 68.4288 176.0206 89 Y 4.2449 8.3421 121.5522 60.5866 38.5925 177.7591 90 I 3.8699 8.4442 121.5041 64.1861 37.0272 178.2298 91 E 4.0138 8.3023 117.5861 59.7267 29.5478 177.9162 92 Y 4.0368 7.7621 119.6129 60.2221 38.8240 177.1043 93 Y 4.4222 7.4759 113.6937 57.6862 38.5859 174.9886 94 D 4.8412 7.5116 118.7085 52.9864 40.3549 176.7709 95 R 4.0487 7.6341 121.5464 58.0898 28.7378 174.0431 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 10 E 8.43 4.19 0.00 1.90 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 2.18 2.35 0.00 11 V 7.76 3.74 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.80 0.00 0.00 12 Q 9.00 4.08 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.06 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 13 Q 8.41 4.14 0.00 1.96 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.00 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 14 P 0.00 4.38 0.00 1.87 1.85 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.02 0.00 15 D 9.07 4.61 0.00 2.81 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 16 P 0.00 4.79 0.00 2.35 1.42 0.00 3.83 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 *18 R 8.43 4.15 0.00 1.88 1.98 0.00 3.22 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 19 K 8.05 4.63 0.00 1.86 1.81 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.56 7.81 20 N 8.59 4.66 0.00 2.77 2.82 0.00 0.00 6.64 7.68 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 21 W 8.70 4.88 0.00 3.26 3.24 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 22 I 6.78 4.21 1.62 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 1.29 0.67 0.71 0.00 0.00 *24 E 8.41 3.77 0.00 1.89 1.86 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 2.14 2.19 0.00 25 N 8.58 3.67 0.00 2.75 2.76 0.00 0.00 6.96 8.47 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 *27 D 8.27 4.37 0.00 2.86 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 28 S 8.70 4.21 0.00 3.90 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 29 G 8.23 3.96 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 0.00 0.00 0.00 30 V 8.28 3.69 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 1.01 0.00 0.00 1.02 0.00 0.00 31 I 7.96 3.69 2.07 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 1.41 0.54 0.94 0.00 0.00 32 Y 8.47 4.00 0.00 3.06 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 33 L 8.40 3.97 0.00 2.08 1.80 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.42 4.07 0.00 1.84 1.90 1.17 1.06 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 35 E 8.58 3.97 0.00 1.85 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 2.55 2.48 0.00 36 S 7.93 3.95 0.00 4.01 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 37 W 8.24 4.16 0.00 3.50 3.47 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 0.00 0.00 0.00 0.00 38 L 8.20 3.69 0.00 1.92 1.70 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.06 3.76 0.00 1.88 1.85 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.41 7.81 40 A 7.96 3.85 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 41 K 7.88 3.58 0.00 1.14 1.31 0.00 1.30 0.00 0.00 1.23 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.39 0.21 7.81 42 S 8.42 4.34 0.00 3.80 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 43 Q 7.99 3.99 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 44 E 8.10 4.25 0.00 1.82 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 0.00 2.28 2.36 0.00 45 T 7.18 4.36 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 1.18 0.00 0.00 46 G 8.00 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 47 K 7.21 4.30 0.00 1.83 1.72 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.37 7.81 48 E 8.57 4.07 0.00 2.15 1.89 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 2.40 2.36 0.00 49 I 8.44 3.71 1.88 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 1.67 0.92 0.91 0.00 0.00 50 S 8.10 4.26 0.00 4.13 4.18 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 51 D 8.08 4.34 0.00 2.90 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 52 I 7.88 3.74 2.05 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.94 0.79 0.00 0.00 53 F 8.73 4.29 0.00 3.22 3.31 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 54 A 8.32 3.71 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 55 N 8.26 4.33 0.00 2.93 3.08 0.00 0.00 7.18 7.27 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 56 A 8.06 4.06 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.06 3.21 1.69 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 0.59 0.00 0.00 -0.26 0.00 0.00 58 E 7.84 4.00 0.00 1.93 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 0.00 2.03 2.06 0.00 59 F 8.29 3.92 0.00 3.29 3.10 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 60 N 8.29 4.44 0.00 2.78 2.81 0.00 0.00 7.07 7.11 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 61 I 7.42 4.11 1.85 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 1.40 0.80 0.75 0.00 0.00 62 V 7.79 3.29 1.89 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 0.70 0.00 0.00 0.54 0.00 0.00 63 L 7.89 3.88 0.00 1.71 1.72 0.87 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.42 3.84 0.00 1.76 1.93 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.46 7.81 65 D 7.85 4.48 0.00 2.65 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.73 4.90 0.00 3.48 3.07 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 0.00 0.00 0.00 67 G 8.20 4.17 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 0.00 0.00 0.00 68 K 8.33 4.01 0.00 1.96 2.07 0.00 1.49 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.47 7.81 69 E 7.97 3.89 0.00 2.12 2.20 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 2.32 2.26 0.00 70 K 7.83 3.71 0.00 1.56 1.53 0.00 1.15 0.00 0.00 0.61 0.00 0.00 2.49 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.30 1.07 7.81 71 L 7.72 4.12 0.00 1.90 1.90 0.82 0.71 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 72 E 8.03 3.93 0.00 2.31 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 2.29 2.29 0.00 73 E 8.35 3.91 0.00 2.01 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 2.23 2.29 0.00 74 T 8.09 3.85 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 1.38 0.00 0.00 75 N 8.26 4.32 0.00 2.97 2.92 0.00 0.00 7.13 6.66 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 76 T 8.13 3.86 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 1.21 0.00 0.00 77 E 8.35 3.96 0.00 2.20 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 2.34 2.57 0.00 78 Y 8.32 4.04 0.00 3.12 3.15 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 79 Q 8.39 3.95 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 2.71 2.64 0.00 80 N 8.65 4.25 0.00 2.94 2.85 0.00 0.00 7.05 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 81 Q 8.20 3.97 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 82 Q 8.23 3.78 0.00 1.83 1.92 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 1.27 1.73 0.00 83 R 7.84 3.87 0.00 2.04 1.97 0.00 3.09 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 84 K 8.09 3.95 0.00 2.03 2.05 0.00 1.37 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.71 1.46 7.81 85 L 8.05 3.98 0.00 1.79 1.73 0.86 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.07 3.95 0.00 1.99 2.07 0.00 3.10 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 87 K 8.14 3.98 0.00 1.91 2.05 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.51 7.81 88 T 8.31 3.91 4.45 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 1.26 0.00 0.00 89 Y 8.34 4.24 0.00 3.23 3.24 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 90 I 8.44 3.87 2.15 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 1.72 1.33 0.97 0.00 0.00 91 E 8.30 4.01 0.00 2.12 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 0.00 2.55 2.36 0.00 92 Y 7.76 4.04 0.00 2.96 2.97 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 93 Y 7.48 4.42 0.00 2.90 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 94 D 7.51 4.84 0.00 2.80 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 7.63 4.05 0.00 1.69 1.76 0.00 2.97 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.49 0.00 * Residues marked with a * may have inaccurate shift predictions.