NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5423 8.1476 120.6130 55.5192 34.5620 174.1330 2 V 4.5618 8.1697 121.4270 58.4975 33.9133 172.5793 3 T 4.9057 9.3195 117.9310 59.9078 73.4767 173.6557 4 I 5.0290 7.7284 119.2458 59.9077 41.3842 175.2077 5 R 4.6332 8.2078 121.4369 54.9741 32.5512 174.4125 6 L 4.7080 8.5166 126.4269 54.3782 40.9088 176.8987 7 A 4.6900 8.0662 135.0000 52.7816 20.1803 176.0414 8 R 3.9857 7.7212 123.8752 55.7695 28.8811 175.3241 9 H 4.7101 9.0639 121.1642 55.1858 29.3336 175.6142 10 G 4.0739 7.6973 108.3766 43.9626 0.0000 174.9884 11 A 4.2874 8.3206 123.6425 51.2421 20.2356 176.7247 12 K 4.1055 8.4178 116.1507 56.3717 35.0476 179.3471 13 K 3.6406 9.3775 124.1344 57.2358 31.0931 177.3864 14 R 4.0398 9.3243 124.0145 56.6542 30.0273 174.7413 15 P 5.1290 0.0000 0.0000 60.6928 34.6311 174.3526 16 F 4.9020 8.7583 122.3416 56.8599 41.9723 173.1402 17 Y 5.4297 9.1447 125.1332 56.9307 39.0177 174.9664 18 Q 4.7612 9.0457 127.4482 54.0802 29.2866 174.8123 19 V 3.8725 8.2766 126.1703 62.6241 32.4475 176.2871 20 V 4.4058 9.3918 124.1298 60.9703 32.5291 172.9287 21 V 3.4231 7.5794 126.2537 61.2539 33.2190 174.2233 22 A 4.3252 8.2874 125.9218 51.3927 23.6131 174.6400 23 D 4.3021 8.3964 119.4364 54.3809 41.7264 176.1901 24 S 3.6069 9.4033 118.8828 61.6105 62.0253 176.4565 25 R 3.9554 8.0603 121.5102 58.4148 30.7478 177.2218 26 N 4.2278 7.5597 113.5694 53.5168 39.1632 175.9571 27 A 4.3419 8.2085 124.1188 51.7464 19.8839 176.8380 28 R 4.0961 8.7917 111.7127 59.2421 29.2855 177.2755 29 N 5.1417 7.9733 111.5909 52.0607 41.9328 176.1719 30 G 4.0681 7.9959 105.9613 45.6143 0.0000 176.8199 31 R 3.7315 8.5316 121.4497 54.5308 31.1066 175.0517 32 F 4.5467 7.4110 113.0473 56.0121 40.6304 173.4262 33 I 3.5677 9.1852 126.9923 63.0221 35.8275 177.1026 34 E 4.4808 8.9035 130.1147 54.9071 30.6530 174.6582 35 R 4.1503 8.4893 127.1522 56.4242 29.7756 176.3030 36 V 4.5356 8.8939 120.0977 60.0963 33.4521 175.1355 37 G 4.7446 7.6847 112.0916 46.1388 0.0000 172.4409 38 F 5.3933 8.2974 117.1345 56.0776 41.4143 174.1248 39 F 3.8659 8.0587 113.4853 57.6843 42.3513 172.1461 40 N 4.5978 7.4603 126.9209 51.0403 39.6181 172.7387 41 P 4.7693 0.0000 0.0000 60.4783 29.6946 175.4023 42 I 3.9846 7.6725 122.8803 61.8624 41.1532 173.2274 43 A 3.8991 7.5364 124.6198 51.9061 17.4753 178.5712 44 S 4.3933 8.3918 121.5368 59.7931 60.7722 175.0755 45 E 3.9127 7.9852 115.8014 56.6870 28.4420 176.2974 46 K 4.4550 7.3679 122.8083 56.9008 32.9097 175.3491 47 E 3.9473 8.4050 116.8156 57.7393 29.4917 176.3189 48 E 4.4424 8.3504 123.0451 55.7933 31.5649 176.0248 49 G 3.8059 8.1778 111.3806 46.9575 0.0000 173.2033 50 T 3.2177 7.1409 112.1273 62.1082 72.3197 173.1460 51 R 4.3938 6.5496 125.3320 55.2802 31.9788 175.8547 52 L 4.9023 8.2021 124.5546 52.5930 43.5061 172.2683 53 D 4.2460 8.4876 120.3406 54.4338 42.1221 177.0831 54 L 3.9911 9.2918 128.0583 59.0434 42.3077 179.1657 55 D 4.3468 7.0865 114.8257 57.3668 42.3040 178.3392 56 R 3.9982 8.8428 118.2771 58.7103 30.0367 179.9641 57 I 3.7035 7.7687 120.3474 64.7348 37.6338 177.3077 58 A 4.1584 9.7836 123.8450 54.1528 18.0855 180.2190 59 H 3.8703 8.4807 114.4663 58.2654 30.9357 177.3817 60 W 4.0337 8.0989 120.7423 59.0795 28.6324 177.6940 61 V 4.4303 8.4792 116.3519 62.8595 31.5296 176.0538 62 G 4.0765 7.8530 106.7615 46.1704 0.0000 174.1760 63 Q 4.3217 9.1106 118.1205 56.2626 31.3114 176.1402 64 G 3.9969 8.1189 114.0043 45.6019 0.0000 172.6146 65 A 4.4170 7.7418 123.6156 53.1465 19.9191 176.6904 66 T 4.6511 8.4963 116.3467 64.3839 69.6666 174.9589 67 I 4.5415 8.0713 124.2917 61.3744 39.8757 174.1021 68 S 4.1814 7.9891 123.2090 58.4244 62.8190 174.7171 69 D 4.3534 8.6985 124.1561 57.8478 40.7381 179.0192 70 R 3.9517 7.8244 117.8808 59.7701 30.0440 178.7206 71 V 3.4713 7.8110 109.8475 64.0616 31.7380 177.3369 72 A 4.4830 7.7680 118.4653 52.8032 18.4561 178.1920 73 A 4.2179 8.1547 118.4386 53.2838 18.0922 178.1438 74 L 4.7118 7.5116 115.2596 54.3884 43.0449 177.1501 75 I 4.1132 7.8510 120.6367 62.4164 37.6799 177.3635 76 K 4.5268 7.8388 116.9618 56.7779 32.7412 176.6621 77 E 4.2371 7.5672 114.9343 56.3294 28.9113 176.8301 78 V 4.1865 7.1535 118.3262 60.7216 32.9260 176.4877 79 N 4.7680 8.7080 129.5923 53.5566 36.0885 175.1262 80 K 3.2804 7.7535 110.3874 60.6068 32.7675 176.9597 *81 A 4.1104 8.7439 129.2886 52.9690 18.7921 177.5132 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 8.15 4.54 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 2 V 8.17 4.56 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 0.85 0.00 0.00 0.92 0.00 0.00 3 T 9.32 4.91 4.22 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 1.20 0.00 0.00 4 I 7.73 5.03 1.97 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.94 0.89 0.00 0.00 5 R 8.21 4.63 0.00 1.82 1.98 0.00 2.95 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 6 L 8.52 4.71 0.00 1.78 1.67 0.80 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.07 4.69 1.23 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 0.00 0.00 0.00 8 R 7.72 3.99 0.00 1.41 1.67 0.00 3.08 0.00 0.00 3.14 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.25 0.00 9 H 9.06 4.71 0.00 3.20 3.19 0.00 5.89 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 10 G 7.70 4.07 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 0.00 0.00 0.00 11 A 8.32 4.29 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 12 K 8.42 4.11 0.00 1.74 1.75 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.53 7.81 13 K 9.38 3.64 0.00 1.94 1.59 0.00 1.83 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.42 7.81 14 R 9.32 4.04 0.00 1.98 2.03 0.00 3.02 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 15 P 0.00 5.13 0.00 2.18 2.12 0.00 3.85 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.15 0.00 16 F 8.76 4.90 0.00 3.19 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 17 Y 9.14 5.43 0.00 2.80 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 18 Q 9.05 4.76 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.71 0.00 19 V 8.28 3.87 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 0.88 0.00 0.00 0.92 0.00 0.00 20 V 9.39 4.41 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 0.52 0.00 0.00 0.53 0.00 0.00 21 V 7.58 3.42 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 0.03 0.00 0.00 0.53 0.00 0.00 22 A 8.29 4.33 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 23 D 8.40 4.30 0.00 2.70 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 24 S 9.40 3.61 0.00 3.85 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 25 R 8.06 3.96 0.00 1.80 2.04 0.00 3.28 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 26 N 7.56 4.23 0.00 2.83 2.83 0.00 0.00 7.06 7.39 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 27 A 8.21 4.34 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 28 R 8.79 4.10 0.00 1.87 2.06 0.00 3.03 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 29 N 7.97 5.14 0.00 2.72 2.87 0.00 0.00 6.85 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 30 G 8.00 4.07 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 0.00 0.00 0.00 31 R 8.53 3.73 0.00 1.61 1.71 0.00 3.16 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 1.42 1.34 0.00 32 F 7.41 4.55 0.00 3.20 2.99 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 33 I 9.19 3.57 1.69 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.40 0.98 0.00 0.00 34 E 8.90 4.48 0.00 2.13 1.97 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 2.39 2.42 0.00 35 R 8.49 4.15 0.00 1.69 1.83 0.00 3.44 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.52 0.00 36 V 8.89 4.54 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 0.80 0.00 0.00 1.08 0.00 0.00 37 G 7.68 4.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.30 5.39 0.00 3.85 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 39 F 8.06 3.87 0.00 2.97 3.04 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 0.00 0.00 0.00 40 N 7.46 4.60 0.00 2.40 2.52 0.00 0.00 6.74 7.37 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 41 P 0.00 4.77 0.00 2.23 2.23 0.00 3.92 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.37 0.00 42 I 7.67 3.98 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.63 0.98 0.00 0.00 43 A 7.54 3.90 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 44 S 8.39 4.39 0.00 3.91 3.85 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 0.00 0.00 0.00 45 E 7.99 3.91 0.00 2.10 2.03 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 2.21 2.27 0.00 46 K 7.37 4.45 0.00 1.83 1.84 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.41 7.81 47 E 8.41 3.95 0.00 1.99 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 2.31 2.30 0.00 48 E 8.35 4.44 0.00 2.00 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 2.49 2.39 0.00 49 G 8.18 3.81 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 0.00 0.00 0.00 50 T 7.14 3.22 3.88 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 1.02 0.00 0.00 51 R 6.55 4.39 0.00 2.38 2.25 0.00 3.34 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 52 L 8.20 4.90 0.00 1.50 1.56 0.83 1.13 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 53 D 8.49 4.25 0.00 2.98 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 54 L 9.29 3.99 0.00 1.74 1.67 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 55 D 7.09 4.35 0.00 3.03 2.54 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 0.00 0.00 0.00 0.00 56 R 8.84 4.00 0.00 2.11 2.09 0.00 3.43 0.00 0.00 3.33 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.04 0.00 57 I 7.77 3.70 2.23 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.77 0.97 0.00 0.00 58 A 9.78 4.16 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 59 H 8.48 3.87 0.00 3.18 3.46 0.00 5.80 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 60 W 8.10 4.03 0.00 3.64 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 61 V 8.48 4.43 2.13 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 0.94 0.00 0.00 1.07 0.00 0.00 62 G 7.85 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 0.00 0.00 0.00 63 Q 9.11 4.32 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.20 0.00 0.00 0.00 0.00 0.00 2.02 1.70 0.00 64 G 8.12 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 65 A 7.74 4.42 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 66 T 8.50 4.65 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 1.21 0.00 0.00 67 I 8.07 4.54 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 1.30 0.50 0.92 0.00 0.00 68 S 7.99 4.18 0.00 3.88 3.71 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 69 D 8.70 4.35 0.00 2.66 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 70 R 7.82 3.95 0.00 1.83 1.83 0.00 3.01 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 71 V 7.81 3.47 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 0.80 0.00 0.00 1.00 0.00 0.00 72 A 7.77 4.48 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 73 A 8.15 4.22 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 74 L 7.51 4.71 0.00 1.78 1.87 0.43 1.03 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 75 I 7.85 4.11 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.34 0.92 0.00 0.00 76 K 7.84 4.53 0.00 1.73 1.84 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.38 7.81 77 E 7.57 4.24 0.00 1.94 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 2.50 0.00 78 V 7.15 4.19 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 0.90 0.00 0.00 0.91 0.00 0.00 79 N 8.71 4.77 0.00 2.86 2.86 0.00 0.00 6.28 7.13 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 80 K 7.75 3.28 0.00 1.78 1.67 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.70 7.81 *81 A 8.74 4.11 1.23 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.