NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1877 8.2649 123.5841 51.7647 20.8170 173.3535 2 K 3.6323 7.9717 122.5316 55.1787 32.5073 174.7453 3 Q 3.9330 8.5695 125.3907 59.3311 29.9312 177.8276 4 S 4.1301 8.0193 113.3954 61.7949 63.1785 176.0086 5 M 4.1618 7.9625 121.5835 58.0475 31.7261 178.2194 6 K 3.8049 8.0480 118.4290 59.9928 32.3476 179.0416 7 A 4.0018 7.8179 120.3992 54.9926 16.6952 179.2637 8 R 3.8237 7.8508 117.3620 59.7850 30.0051 178.3100 9 E 3.7412 8.0646 118.6985 59.2795 29.7644 178.6177 10 V 3.5480 7.8255 117.7882 66.4157 31.3684 177.5393 11 K 3.8694 7.8946 117.2394 59.8728 31.9625 179.2990 12 R 4.2837 7.5252 118.4095 59.2254 29.6689 178.6012 13 V 3.6302 7.8035 118.0668 65.0560 31.4526 177.4497 14 A 4.1301 8.5086 119.9168 55.7112 18.3434 179.2389 15 L 3.8825 8.3528 117.1829 58.1358 41.7318 179.4956 16 A 4.4696 8.1203 121.5390 54.4847 18.1468 177.7144 17 D 4.6747 7.8260 117.1212 54.2928 41.0010 178.1679 18 K 4.0957 7.7252 123.7867 61.5898 33.1991 177.4197 19 Y 4.0413 8.2017 121.0290 57.8679 38.5700 176.5877 20 F 4.2489 8.6074 120.0579 61.9339 39.5787 177.9348 21 A 4.3542 8.2502 115.2493 52.7247 17.9206 177.6748 22 K 4.4069 7.7416 120.1790 57.9200 34.9382 177.1155 23 R 4.4067 8.2246 115.4618 56.1304 32.1061 176.7847 24 A 3.9350 8.2506 120.3525 52.2405 17.5363 178.0742 25 E 4.2126 8.0031 119.9429 58.8769 30.5643 178.3564 26 L 3.9828 7.9094 120.2621 58.3013 40.0142 178.8452 27 K 3.8240 8.1325 118.2321 60.3463 32.1591 177.7786 28 A 4.3626 7.6497 119.2024 51.8551 18.3188 177.6363 29 I 4.2051 7.1516 116.4286 63.0772 38.8187 176.6622 30 I 4.3080 8.4508 120.0387 63.0086 39.2774 177.8577 31 S 4.9942 7.8365 115.9873 57.2929 62.1305 172.5253 32 D 4.1572 7.2274 123.3685 53.1848 41.8751 177.2830 33 V 3.9571 8.3284 121.4011 62.7126 31.0863 175.1056 34 N 4.2401 7.8586 125.5793 53.3059 40.5369 176.8985 35 A 4.0231 8.6112 122.2228 52.5784 17.5869 177.4620 *40 R 5.1572 7.6727 115.3702 57.6354 30.8498 174.4848 41 W 5.3338 8.1928 124.9178 55.0973 34.5748 175.0121 42 N 4.2321 8.1654 123.4314 56.7816 38.6357 177.2150 43 A 3.9882 7.6264 121.6025 55.0429 17.9045 179.4679 44 V 3.8087 7.9499 116.3304 65.4894 31.6488 176.9312 45 L 4.4424 7.9156 117.2156 55.6609 41.9898 177.3944 46 K 4.5091 7.5557 116.2427 57.4318 34.3037 177.8163 47 L 4.1396 7.9219 120.7684 58.2593 41.8901 178.8055 48 Q 4.1803 7.5099 115.5870 58.3502 28.2471 177.4263 49 T 4.3505 7.2996 111.4827 61.1690 68.9661 172.7635 50 L 4.5275 8.0482 133.5499 55.6922 43.0593 173.8031 51 P 4.1851 0.0000 0.0000 63.3480 33.1597 179.5300 52 R 3.7365 8.4454 117.3477 56.6002 29.4948 176.0068 53 D 4.3524 9.0825 120.8124 57.2846 42.1803 176.4185 54 S 4.5908 7.3098 114.6434 56.4140 60.6783 172.5902 55 S 4.1634 7.1731 118.5091 55.8166 67.2095 173.2358 56 P 4.4216 0.0000 0.0000 66.4668 31.2782 180.0595 57 S 4.5916 8.0193 112.7582 58.3057 61.9669 175.0037 58 R 4.4913 8.0694 119.6452 55.9610 31.8386 176.3709 59 Q 4.1465 7.9991 117.9128 55.5763 29.2178 175.7643 60 R 4.2190 9.3946 118.6506 55.0802 29.1976 175.2334 61 N 3.9733 8.0661 114.5722 49.9900 37.3381 172.2879 62 R 4.2733 7.3864 122.4473 55.6869 30.7329 176.0457 63 C 4.1056 8.3334 120.9883 59.9706 31.6911 173.8058 64 R 3.8581 8.4493 128.3233 59.9667 29.4583 177.0974 65 Q 3.9697 7.7544 118.2243 59.0659 29.4483 177.7638 66 T 4.0059 7.7736 109.5376 60.5435 69.0648 175.2494 67 G 5.3047 8.4130 123.5967 45.5762 0.0000 172.0482 68 R 3.8858 7.6621 121.7345 55.7732 30.1154 174.8244 69 P 4.1411 0.0000 0.0000 66.2140 31.4079 177.3165 70 H 3.9293 7.9580 117.3758 55.8457 28.7562 174.7206 71 G 4.0927 8.3472 121.0112 46.0339 0.0000 171.7772 72 F 5.2037 8.3385 126.5312 56.2147 42.6420 174.1282 73 L 4.4005 7.3056 126.2957 52.9050 44.0401 177.1062 74 R 3.6124 8.6322 123.8030 59.2457 30.0981 178.0467 75 K 3.5746 7.7500 116.7372 59.3944 31.6390 177.3231 76 F 4.3773 7.4715 115.8516 57.4373 39.7992 177.8500 77 G 3.8008 8.8697 109.4576 45.4557 0.0000 173.0458 78 L 4.8035 7.0573 119.9321 52.4824 44.2444 175.9095 79 S 5.3289 8.4438 113.4587 57.0210 63.9821 175.1937 80 R 3.9204 8.6039 118.0231 59.8132 29.0425 178.6238 81 I 3.8734 7.6258 119.0785 63.8204 37.2160 177.8356 82 K 3.8178 7.8169 118.0345 59.7943 31.9504 179.2531 83 V 3.3309 7.6765 118.1315 65.9685 31.2368 177.7991 84 R 3.7908 7.8608 118.0634 59.5956 29.6840 177.7988 85 E 3.9645 8.1746 116.0749 59.6308 29.7851 179.0617 86 A 4.0661 8.1811 120.0022 55.1875 18.4339 179.3746 87 A 3.9713 8.2459 117.2033 54.5126 18.4417 178.6000 88 M 4.2213 7.5461 115.9846 56.4236 32.6633 177.7796 89 R 4.4027 7.7890 117.0852 56.4437 30.6514 176.8302 90 G 4.1191 8.0808 106.7175 45.5093 0.0000 175.5092 91 E 4.0052 8.3030 121.1320 57.9866 29.7018 177.0113 92 I 4.4357 6.8411 116.8405 58.3999 38.8496 173.7102 93 P 4.3523 0.0000 0.0000 63.5997 31.9724 177.8118 94 G 4.0150 8.8226 109.2192 45.7932 0.0000 173.3197 95 L 4.2696 7.5076 121.8948 54.1412 42.3291 175.7475 96 K 4.5250 8.1961 123.7646 54.8907 35.6535 175.1146 97 K 3.8331 8.6100 117.7951 56.5982 31.4973 177.1879 98 A 4.3308 8.5456 127.0851 52.1637 19.1025 176.6877 99 S 4.7706 8.5239 110.4012 57.8515 65.0493 176.8729 100 W 4.4955 8.4465 120.3399 57.1696 27.2625 174.0385 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 A 8.26 4.19 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.97 3.63 0.00 2.04 1.82 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.43 7.81 3 Q 8.57 3.93 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 4 S 8.02 4.13 0.00 4.05 3.99 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 0.00 0.00 0.00 5 M 7.96 4.16 0.00 2.04 2.25 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.56 0.00 6 K 8.05 3.80 0.00 2.00 1.90 0.00 1.91 0.00 0.00 1.66 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.80 7.81 7 A 7.82 4.00 1.30 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 8 R 7.85 3.82 0.00 2.11 2.08 0.00 3.08 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 9 E 8.06 3.74 0.00 2.05 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 2.27 2.33 0.00 10 V 7.83 3.55 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 1.01 0.00 0.00 0.93 0.00 0.00 11 K 7.89 3.87 0.00 1.78 1.80 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.68 1.62 7.81 12 R 7.53 4.28 0.00 1.98 1.93 0.00 3.24 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.45 0.00 13 V 7.80 3.63 2.28 0.00 0.00 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 1.00 0.00 0.00 14 A 8.51 4.13 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 15 L 8.35 3.88 0.00 1.83 1.65 0.85 0.62 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 16 A 8.12 4.47 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 17 D 7.83 4.67 0.00 2.88 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 18 K 7.73 4.10 0.00 2.01 2.05 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.15 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.87 1.67 7.81 19 Y 8.20 4.04 0.00 3.12 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 20 F 8.61 4.25 0.00 3.12 3.34 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 21 A 8.25 4.35 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 22 K 7.74 4.41 0.00 1.69 1.91 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.20 1.36 7.81 23 R 8.22 4.41 0.00 1.80 1.83 0.00 2.60 0.00 0.00 3.03 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.25 0.00 24 A 8.25 3.93 -0.03 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 25 E 8.00 4.21 0.00 2.07 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 2.05 2.31 0.00 26 L 7.91 3.98 0.00 1.82 1.95 0.94 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.13 3.82 0.00 1.93 2.08 0.00 1.43 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.63 1.56 7.81 28 A 7.65 4.36 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.15 4.21 1.89 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 1.25 0.83 0.85 0.00 0.00 30 I 8.45 4.31 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.55 0.71 0.00 0.00 31 S 7.84 4.99 0.00 3.99 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 32 D 7.23 4.16 0.00 2.74 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 33 V 8.33 3.96 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 0.85 0.00 0.00 0.94 0.00 0.00 34 N 7.86 4.24 0.00 2.71 2.69 0.00 0.00 6.24 7.26 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 35 A 8.61 4.02 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 *40 R 7.67 5.16 0.00 2.06 2.19 0.00 2.62 0.00 0.00 3.85 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 41 W 8.19 5.33 0.00 3.26 2.91 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 42 N 8.17 4.23 0.00 2.57 2.56 0.00 0.00 7.05 8.15 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 43 A 7.63 3.99 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 44 V 7.95 3.81 2.32 0.00 0.00 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 1.12 0.00 0.00 45 L 7.92 4.44 0.00 1.94 1.81 0.95 0.47 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 46 K 7.56 4.51 0.00 1.76 1.81 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.52 7.81 47 L 7.92 4.14 0.00 1.92 1.71 0.98 1.04 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 48 Q 7.51 4.18 0.00 2.34 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.66 0.00 0.00 0.00 0.00 0.00 2.40 2.73 0.00 49 T 7.30 4.35 4.27 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 1.25 0.00 0.00 50 L 8.05 4.53 0.00 1.74 1.80 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.19 0.00 2.22 2.40 0.00 4.03 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.34 0.00 52 R 8.45 3.74 0.00 1.86 1.68 0.00 3.26 0.00 0.00 3.18 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 53 D 9.08 4.35 0.00 2.72 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 54 S 7.31 4.59 0.00 3.72 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 7.17 4.16 0.00 3.62 3.51 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 56 P 0.00 4.42 0.00 2.28 2.41 0.00 3.93 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 57 S 8.02 4.59 0.00 3.89 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 58 R 8.07 4.49 0.00 1.82 1.86 0.00 3.13 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 0.00 59 Q 8.00 4.15 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.14 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 60 R 9.39 4.22 0.00 1.72 1.91 0.00 3.15 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 61 N 8.07 3.97 0.00 1.88 1.42 0.00 0.00 7.13 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 62 R 7.39 4.27 0.00 1.98 2.09 0.00 3.21 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 63 C 8.33 4.11 0.00 3.07 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 64 R 8.45 3.86 0.00 2.10 1.99 0.00 3.46 0.00 0.00 3.23 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 65 Q 7.75 3.97 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 66 T 7.77 4.01 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 67 G 8.41 5.30 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 68 R 7.66 3.89 0.00 1.90 1.92 0.00 3.23 0.00 0.00 3.44 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 69 P 0.00 4.14 0.00 2.14 2.11 0.00 3.86 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 70 H 7.96 3.93 0.00 3.21 3.25 0.00 5.74 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 71 G 8.35 4.09 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 0.00 0.00 0.00 72 F 8.34 5.20 0.00 3.03 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 73 L 7.31 4.40 0.00 1.63 1.52 1.09 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.63 3.61 0.00 1.72 2.00 0.00 3.29 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.79 0.00 75 K 7.75 3.57 0.00 1.25 1.06 0.00 1.26 0.00 0.00 1.34 0.00 0.00 2.86 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.30 0.21 7.81 76 F 7.47 4.38 0.00 3.13 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 77 G 8.87 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 78 L 7.06 4.80 0.00 1.61 1.60 1.00 0.82 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 79 S 8.44 5.33 0.00 4.06 4.08 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 80 R 8.60 3.92 0.00 1.96 2.18 0.00 3.05 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 81 I 7.63 3.87 1.88 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 1.64 0.91 0.91 0.00 0.00 82 K 7.82 3.82 0.00 1.79 2.05 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.64 7.81 83 V 7.68 3.33 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 0.44 0.00 0.00 0.90 0.00 0.00 84 R 7.86 3.79 0.00 1.89 2.08 0.00 3.16 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 85 E 8.17 3.96 0.00 2.07 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 2.31 2.39 0.00 86 A 8.18 4.07 1.25 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 0.00 0.00 0.00 87 A 8.25 3.97 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.55 4.22 0.00 1.94 2.34 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.81 0.00 89 R 7.79 4.40 0.00 1.76 1.96 0.00 3.13 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 90 G 8.08 4.12 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 0.00 0.00 0.00 91 E 8.30 4.01 0.00 1.94 2.02 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 2.42 2.25 0.00 92 I 6.84 4.44 1.78 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.50 1.00 0.00 0.00 93 P 0.00 4.35 0.00 2.24 2.19 0.00 3.82 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.99 0.00 94 G 8.82 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 95 L 7.51 4.27 0.00 1.66 1.56 1.07 0.44 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 96 K 8.20 4.52 0.00 1.85 1.75 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.48 7.81 97 K 8.61 3.83 0.00 1.79 1.88 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.40 7.81 98 A 8.55 4.33 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 99 S 8.52 4.77 0.00 3.97 3.86 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 0.00 100 W 8.45 4.50 0.00 3.38 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 * Residues marked with a * may have inaccurate shift predictions.