NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1337 8.2649 123.5843 47.3539 21.1060 174.7553 2 K 3.4995 7.7595 124.3805 54.5163 29.2516 174.4960 3 Q 4.0131 8.2374 124.2161 59.3713 29.5990 177.9233 4 S 4.1037 8.0610 114.0415 62.0484 63.0529 175.9371 5 M 4.1379 7.9615 121.3706 58.0932 31.9965 177.8641 6 K 3.8620 8.8664 119.1349 59.7061 32.2175 179.0569 7 A 4.0008 8.2687 120.8882 54.9710 18.3473 179.5675 8 R 3.8184 7.9668 116.7292 59.5634 29.9909 178.3768 9 E 3.8768 8.1610 117.0478 59.5630 29.7210 178.5467 10 V 3.7425 7.4551 117.9077 66.0360 31.5428 177.9865 11 K 3.9096 8.0313 117.8510 59.8039 32.0179 179.4914 12 R 3.9820 7.8772 117.6969 59.2830 29.9441 179.1004 13 V 3.5469 7.5754 117.7259 65.8362 31.5494 177.6774 14 A 3.9988 7.9648 119.7096 55.3277 18.4472 179.0509 15 L 3.9276 7.9652 117.1511 58.2959 41.7230 179.9024 16 A 4.8059 7.8273 121.1162 54.9514 18.1796 179.4256 17 D 4.4824 7.8808 115.6885 57.1213 40.8734 178.4049 18 K 4.2069 8.0077 119.3533 57.9858 32.6055 178.3489 19 Y 3.7047 8.9786 116.9601 59.5102 37.1977 177.8529 20 F 4.4891 5.4600 126.2338 61.3615 40.4470 177.8494 21 A 4.0902 8.0926 123.1450 54.9567 18.0255 178.6111 22 K 5.5641 8.2931 110.7011 55.1025 33.5889 177.2404 23 R 4.5412 7.9173 118.8234 56.6992 32.5071 177.0374 24 A 4.4318 8.4399 118.9099 52.5840 18.1627 178.0595 25 E 4.2068 8.4443 120.2313 59.8304 30.6008 178.8250 26 L 3.9287 8.2669 120.1395 58.5195 40.3475 179.1456 27 K 3.8438 8.3629 117.3003 59.2564 32.1936 177.8100 28 A 4.1110 7.9293 120.6884 53.5560 17.9955 176.6118 29 I 4.4637 7.4532 114.6583 61.5936 40.1712 177.5802 30 I 3.5207 7.2161 119.8535 65.8877 37.9229 177.7982 31 S 4.3246 8.0203 119.3082 60.3762 63.2581 174.1018 32 D 4.7042 7.6170 120.1078 52.0358 42.3558 175.1507 33 V 3.8134 8.1926 124.2313 63.5459 32.4240 174.9541 34 N 5.0561 8.6591 126.0768 53.2036 41.6981 176.5194 35 A 3.8577 9.2638 130.4168 55.4937 19.1153 178.5262 *40 R 4.5891 7.4491 109.5393 56.7415 30.8179 174.6368 41 W 5.0794 8.1004 123.4493 55.9657 33.7667 174.5803 42 N 4.2499 8.6090 124.9576 56.3650 38.7748 176.3102 43 A 3.9187 6.9431 121.8406 55.3008 18.4844 179.7109 44 V 3.6934 7.8967 115.9329 65.9288 31.4668 177.7215 45 L 4.0166 7.9263 119.4068 57.1981 41.9480 178.0357 46 K 4.4257 7.5692 115.8518 56.4612 33.0811 177.6949 47 L 4.1985 7.9856 121.9988 57.6799 41.7561 178.3124 48 Q 4.2629 7.9690 112.4741 57.6778 28.1782 177.3074 49 T 4.3452 7.7263 118.1361 61.3007 67.0549 172.9829 50 L 4.6405 7.4434 133.3628 55.7791 42.2158 174.8631 51 P 3.7239 0.0000 0.0000 64.9680 33.3784 179.7135 52 R 3.8263 8.6019 119.6446 56.3217 29.5726 177.3963 53 D 4.1304 9.4641 118.2450 57.0644 41.8441 177.6781 54 S 4.2497 7.9781 113.3859 60.1720 62.5601 174.3065 55 S 4.8413 8.6206 117.0853 58.2116 63.3782 172.7553 56 P 4.4189 0.0000 0.0000 66.3194 31.5145 180.2115 57 S 4.5358 7.7834 115.5351 58.1285 61.6704 174.7450 58 R 4.5342 7.7193 116.1850 55.6240 32.1362 175.9929 59 Q 4.4317 7.6509 117.9868 55.5723 29.7829 176.4871 60 R 4.3721 9.5105 112.9104 56.0496 29.5573 176.6982 61 N 3.6202 8.6962 113.6592 50.6794 38.1802 172.1371 62 R 4.2212 7.5855 123.1258 55.6431 30.8776 175.9389 63 C 4.1991 8.6686 120.7877 59.8807 31.7954 174.2519 64 R 3.9229 8.6374 128.1262 59.4905 29.1951 176.4045 65 Q 4.1316 7.3972 118.4538 58.1577 29.3619 176.9620 66 T 3.9640 7.6010 111.0783 64.5547 69.9554 175.0698 67 G 3.8683 8.6003 110.4407 44.3147 0.0000 172.9403 68 R 3.8893 8.4189 120.5043 55.6813 29.7063 175.4046 69 P 4.5843 0.0000 0.0000 64.3537 32.8299 176.1054 70 H 4.6621 7.8250 114.3482 55.8118 30.6008 176.3788 71 G 4.1696 9.3369 125.1446 46.3589 0.0000 171.5157 72 F 5.4373 8.6539 127.4954 55.9951 43.3979 174.4664 73 L 4.4935 6.7698 121.4656 52.6293 43.4254 177.2998 74 R 3.9724 8.7877 123.8413 59.3510 30.0758 178.2077 75 K 3.6997 7.6530 117.3905 59.3862 30.8920 177.5883 76 F 4.2912 7.5497 116.5106 57.8345 39.7378 177.4516 77 G 3.9038 8.6972 108.8785 45.8234 0.0000 172.8369 78 L 5.1317 6.8413 118.3804 51.8924 45.5040 176.3787 79 S 5.3107 8.5824 113.9464 57.5423 63.6608 175.2114 80 R 3.9275 8.6675 118.3801 60.1800 28.5258 178.6078 81 I 3.6004 7.7329 119.8053 63.5364 37.2187 177.8372 82 K 3.8000 7.7999 117.9095 59.9039 32.0883 179.0458 83 V 3.3251 7.4894 117.7657 66.2317 31.3634 178.1242 84 R 3.7425 7.2788 118.0912 59.4362 29.8078 177.9900 85 E 3.9155 8.2274 117.7724 58.5877 29.6545 177.9742 86 A 4.3228 8.2164 120.4211 54.2050 19.6392 178.7255 87 A 3.8185 8.1123 119.6650 56.0592 18.0365 179.8145 88 M 4.0448 7.7082 115.4585 58.0960 32.1676 178.3533 89 R 4.2429 8.0601 116.3408 56.0241 30.6289 176.4594 90 G 3.8073 7.6515 106.9173 46.7574 0.0000 175.4053 91 E 4.1445 8.3334 120.1485 58.4631 30.1391 177.7546 92 I 4.1573 7.4657 118.8356 59.6708 38.3918 173.8784 93 P 4.3169 0.0000 0.0000 63.6311 31.9450 176.9550 94 G 3.7920 8.7747 108.5499 45.9327 0.0000 172.4705 95 L 4.5948 7.4307 121.0277 52.9121 42.8649 175.6591 96 K 4.5678 8.2029 123.6965 54.8259 35.6636 175.4845 97 K 3.8684 8.5664 118.2014 56.6563 31.6943 177.2815 98 A 4.4358 8.5235 127.2402 51.9753 19.2738 176.4367 99 S 4.6426 8.2631 110.7350 57.8525 64.9027 176.8076 100 W 4.2217 8.2209 119.0360 57.4507 27.1980 174.0938 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 4.13 1.27 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 0.00 0.00 0.00 2 K 7.76 3.50 0.00 2.04 1.86 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.43 7.81 3 Q 8.24 4.01 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 4 S 8.06 4.10 0.00 4.05 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 5 M 7.96 4.14 0.00 2.06 2.12 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 2.66 2.57 0.00 6 K 8.87 3.86 0.00 1.97 1.87 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.70 7.81 7 A 8.27 4.00 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 8 R 7.97 3.82 0.00 2.16 2.00 0.00 3.15 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 9 E 8.16 3.88 0.00 1.91 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 0.00 2.27 2.43 0.00 10 V 7.46 3.74 2.22 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 0.98 0.00 0.00 0.97 0.00 0.00 11 K 8.03 3.91 0.00 1.98 1.84 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.63 7.81 12 R 7.88 3.98 0.00 2.02 2.01 0.00 3.27 0.00 0.00 3.10 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.81 0.00 13 V 7.58 3.55 2.35 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 1.06 0.00 0.00 1.10 0.00 0.00 14 A 7.96 4.00 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 15 L 7.97 3.93 0.00 1.90 1.73 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.83 4.81 1.47 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 0.00 0.00 17 D 7.88 4.48 0.00 2.86 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 18 K 8.01 4.21 0.00 2.06 1.86 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.70 7.81 19 Y 8.98 3.70 0.00 2.82 2.47 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 20 F 5.46 4.49 0.00 3.21 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 21 A 8.09 4.09 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 22 K 8.29 5.56 0.00 1.69 1.76 0.00 1.61 0.00 0.00 1.55 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.34 7.81 23 R 7.92 4.54 0.00 2.03 2.04 0.00 3.32 0.00 0.00 3.37 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 24 A 8.44 4.43 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 25 E 8.44 4.21 0.00 2.18 2.23 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 2.24 2.41 0.00 26 L 8.27 3.93 0.00 1.90 2.08 1.03 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.36 3.84 0.00 1.86 2.03 0.00 1.60 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.62 7.81 28 A 7.93 4.11 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 29 I 7.45 4.46 1.95 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 1.29 0.99 0.89 0.00 0.00 30 I 7.22 3.52 2.02 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 0.38 1.01 0.00 0.00 31 S 8.02 4.32 0.00 4.03 3.97 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 32 D 7.62 4.70 0.00 2.72 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 33 V 8.19 3.81 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 0.86 0.00 0.00 0.94 0.00 0.00 34 N 8.66 5.06 0.00 2.71 2.17 0.00 0.00 7.13 7.35 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 35 A 9.26 3.86 1.05 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 0.00 0.00 0.00 0.00 0.00 0.00 *40 R 7.45 4.59 0.00 2.06 2.28 0.00 2.72 0.00 0.00 3.84 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 41 W 8.10 5.08 0.00 3.26 2.93 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 42 N 8.61 4.25 0.00 2.59 2.53 0.00 0.00 7.16 7.96 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 43 A 6.94 3.92 0.93 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 44 V 7.90 3.69 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 1.14 0.00 0.00 1.23 0.00 0.00 45 L 7.93 4.02 0.00 1.91 1.84 0.93 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.57 4.43 0.00 1.84 1.80 0.00 1.75 0.00 0.00 1.61 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.65 1.51 7.81 47 L 7.99 4.20 0.00 1.95 1.90 0.97 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 7.97 4.26 0.00 2.35 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.06 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 49 T 7.73 4.35 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 1.20 0.00 0.00 50 L 7.44 4.64 0.00 1.61 1.68 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 3.72 0.00 1.38 1.44 0.00 3.77 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.61 0.00 52 R 8.60 3.83 0.00 1.99 1.56 0.00 3.26 0.00 0.00 3.34 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 53 D 9.46 4.13 0.00 2.65 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.98 4.25 0.00 3.62 3.48 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 55 S 8.62 4.84 0.00 4.07 3.82 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 56 P 0.00 4.42 0.00 2.19 2.29 0.00 3.55 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.86 0.00 57 S 7.78 4.54 0.00 3.86 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 58 R 7.72 4.53 0.00 1.89 1.90 0.00 3.39 0.00 0.00 3.32 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 59 Q 7.65 4.43 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.33 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 60 R 9.51 4.37 0.00 1.74 1.87 0.00 3.16 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.52 0.00 61 N 8.70 3.62 0.00 1.87 1.42 0.00 0.00 7.20 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 7.59 4.22 0.00 1.95 2.02 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 1.75 0.00 63 C 8.67 4.20 0.00 3.07 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 64 R 8.64 3.92 0.00 2.21 2.05 0.00 3.42 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 65 Q 7.40 4.13 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 66 T 7.60 3.96 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 1.23 0.00 0.00 67 G 8.60 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 0.00 0.00 0.00 68 R 8.42 3.89 0.00 1.96 2.02 0.00 3.17 0.00 0.00 3.44 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 69 P 0.00 4.58 0.00 2.06 2.11 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 70 H 7.82 4.66 0.00 3.10 2.61 0.00 5.70 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 9.34 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 72 F 8.65 5.44 0.00 3.14 2.93 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 73 L 6.77 4.49 0.00 1.68 1.54 1.10 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.79 3.97 0.00 1.81 2.10 0.00 3.29 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.88 0.00 75 K 7.65 3.70 0.00 1.33 1.30 0.00 1.11 0.00 0.00 1.29 0.00 0.00 2.87 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.30 0.21 7.81 76 F 7.55 4.29 0.00 3.10 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 77 G 8.70 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 78 L 6.84 5.13 0.00 1.77 1.52 1.03 0.78 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 79 S 8.58 5.31 0.00 4.06 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 80 R 8.67 3.93 0.00 2.06 2.29 0.00 2.97 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 81 I 7.73 3.60 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 0.71 0.91 0.00 0.00 82 K 7.80 3.80 0.00 1.79 1.88 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.65 7.81 83 V 7.49 3.33 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 0.23 0.00 0.00 0.90 0.00 0.00 84 R 7.28 3.74 0.00 1.91 2.04 0.00 3.13 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 85 E 8.23 3.92 0.00 1.96 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 0.00 2.31 2.32 0.00 86 A 8.22 4.32 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 87 A 8.11 3.82 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 88 M 7.71 4.04 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.88 0.00 89 R 8.06 4.24 0.00 1.93 2.03 0.00 3.20 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 90 G 7.65 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 91 E 8.33 4.14 0.00 1.95 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 2.48 2.25 0.00 92 I 7.47 4.16 1.83 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 1.36 0.40 1.15 0.00 0.00 93 P 0.00 4.32 0.00 2.24 2.19 0.00 3.90 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 2.11 1.99 0.00 94 G 8.77 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 0.00 0.00 0.00 95 L 7.43 4.59 0.00 1.81 1.59 1.04 0.08 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 96 K 8.20 4.57 0.00 1.86 1.74 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.49 7.81 97 K 8.57 3.87 0.00 1.79 1.86 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.39 7.81 98 A 8.52 4.44 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 99 S 8.26 4.64 0.00 3.94 3.82 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 0.00 100 W 8.22 4.22 0.00 3.37 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 * Residues marked with a * may have inaccurate shift predictions.