NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7671 8.3044 120.6192 55.3773 33.7431 174.1304 2 K 4.5359 8.9907 126.4235 54.2574 35.2157 171.5479 3 E 5.3735 9.6119 126.7759 54.9676 34.0218 174.8875 4 V 4.5910 8.7354 114.3688 60.3216 36.6803 173.8575 5 T 5.0314 8.4381 120.1441 62.0526 70.4553 173.7930 6 I 4.6009 8.5977 125.0983 59.6096 42.1588 172.9351 7 E 4.7612 8.7728 129.2563 55.5098 31.4313 174.8151 8 I 4.3530 8.9064 128.3895 60.7449 37.8175 176.7566 9 K 3.7911 8.8942 126.6420 57.0972 33.3859 176.8301 10 N 4.7849 8.0812 118.4628 52.1536 38.6289 176.8173 11 K 4.0311 8.6306 121.2631 57.7535 31.5519 179.2646 12 T 4.2073 7.9897 107.3834 61.1718 70.1440 175.8949 13 G 3.8695 7.7513 111.2573 46.8698 0.0000 175.7187 14 L 4.2224 8.2450 116.0303 53.4012 40.3538 175.2763 15 H 4.7976 7.8392 114.7502 54.1761 34.5276 174.6978 16 A 3.4082 8.6082 125.9875 53.5279 17.4329 179.7356 17 R 3.8922 8.6231 113.9577 63.1702 29.2017 174.4612 18 P 3.7304 0.0000 0.0000 65.1470 31.1630 178.6429 19 A 3.9358 7.6575 118.6969 55.0078 18.1916 179.5870 20 A 3.9811 8.1340 119.3700 55.3080 18.4912 179.9226 21 L 3.9882 8.3814 118.0176 57.7162 41.6789 179.2599 22 F 4.1651 8.8877 121.0980 61.6641 39.2724 177.5039 23 V 3.8439 8.1370 117.6801 65.7841 31.0743 177.5793 24 Q 3.9472 8.1923 118.9286 59.6479 29.2158 178.4491 25 T 4.0046 8.4753 116.6013 66.6259 68.6238 176.6252 26 A 4.0702 7.9633 122.7109 55.2766 18.1831 179.3510 27 S 4.3250 8.0730 111.3707 60.1496 62.9920 176.2632 28 K 3.8985 7.8422 121.1705 57.1567 32.0553 176.7459 29 F 4.9907 7.1265 117.2186 55.4408 41.2045 175.9904 30 S 4.3287 9.2750 118.4589 60.6989 63.6514 175.2204 31 S 4.3822 8.1975 117.3410 58.8077 64.0293 174.1243 32 Q 4.0163 8.5785 122.1391 55.9922 29.7176 175.4243 33 I 4.8726 7.5685 123.2464 59.1829 41.2401 174.3677 34 W 5.4363 9.6436 125.5715 54.8828 33.3129 174.4490 35 V 4.9480 9.0801 122.2181 61.1777 33.7411 173.8559 36 E 5.2411 9.3769 128.4830 54.3222 33.0938 174.3716 37 K 4.5595 9.0937 126.9805 55.6149 35.6294 175.8759 38 D 4.4731 9.5737 127.2549 55.5459 38.0401 174.0535 39 N 4.5525 7.9440 113.8155 53.7887 39.2164 173.2420 40 K 4.4151 7.8352 119.8567 56.0323 33.6857 175.1511 41 K 5.1529 8.6561 127.7439 54.8047 34.8854 175.2852 42 V 4.7419 8.9222 119.3389 59.0859 36.5709 174.4126 43 N 4.6759 8.8256 121.4766 53.9143 39.1904 175.7066 44 A 4.3460 9.0810 129.9480 54.3844 18.7396 177.9202 45 K 4.1723 8.7251 116.9017 57.6819 32.4488 177.8473 *46 S 4.4849 7.6530 119.1380 57.7571 64.2426 178.7599 47 I 3.8914 8.1184 121.2971 64.4978 37.7318 177.8106 48 M 4.1210 8.1177 118.7302 58.4350 32.0768 178.3778 49 G 3.5566 8.1143 105.9285 47.8496 0.0000 175.6106 50 I 3.6728 7.7565 120.9287 64.3323 37.4386 177.8991 51 M 4.1991 8.3107 121.7573 59.2365 31.6191 179.4768 52 S 4.1766 8.0502 117.5519 63.4736 62.4296 177.8526 53 L 4.2563 7.8228 122.8353 55.5221 42.9268 176.9616 54 G 3.7982 7.5859 105.5580 46.2172 0.0000 174.2407 55 V 3.9516 7.2276 118.1826 61.6292 32.6703 174.8343 56 S 5.0616 8.2096 120.9850 55.5596 65.8415 172.8003 57 Q 4.2316 8.4235 121.1953 58.0443 28.9014 176.1380 58 G 4.2401 9.4688 114.2338 45.1807 0.0000 173.7672 59 N 4.4631 7.9534 117.6138 53.5048 39.7429 174.2480 60 V 4.7359 8.3332 122.8592 61.5892 33.0028 175.2218 61 V 4.6862 8.7849 120.8331 59.4385 35.6564 174.2555 62 K 4.9848 8.8026 123.8584 54.9232 34.2881 174.7437 63 L 5.3576 8.9085 128.1763 53.3546 43.8581 175.8141 64 S 5.4792 9.3244 117.2117 56.9182 67.0824 172.7216 65 A 5.2793 9.0505 121.6311 50.8105 23.1788 174.9344 66 E 5.0357 10.2608 121.9798 53.9596 32.7933 175.6483 67 G 4.4403 8.7140 114.4548 45.2130 0.0000 172.0427 68 D 4.2706 8.4049 118.0676 55.0258 39.7085 176.3867 69 D 4.9855 7.7105 119.7190 52.3779 40.3141 177.4719 70 E 3.8580 8.4446 121.3856 60.4327 29.2831 178.4223 71 E 3.8767 7.9736 118.8289 59.2969 29.6315 178.9079 72 E 3.9667 8.0168 117.6141 58.5597 29.7506 178.9610 73 A 2.0000 7.5333 121.2827 54.3866 18.2866 179.6920 74 I 3.4982 7.2873 118.1698 64.3601 37.1038 178.4590 75 K 3.7897 7.9392 120.1676 59.5825 31.9359 178.5468 76 A 3.9789 8.0101 121.0793 55.1233 18.0458 179.6771 77 L 3.8262 7.4006 116.2304 57.6105 41.7713 179.4257 78 V 3.7162 7.8253 117.6627 66.2261 31.6851 177.4369 79 D 4.4448 8.2893 118.8393 57.2710 40.5525 178.6690 80 L 3.7004 7.8584 123.2498 58.4298 41.9026 177.5493 *81 I 4.0540 7.4447 116.9354 59.6311 37.1754 176.3474 82 E 4.3704 8.4191 120.4811 56.2172 31.2271 176.4607 83 S 4.4381 7.7526 110.8858 57.2743 63.4398 173.9443 84 K 3.8251 8.6038 118.6867 57.7597 29.5877 174.8784 85 F 4.1294 7.9642 121.6884 58.1710 39.3988 175.5417 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 8.30 4.77 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.73 0.00 2 K 8.99 4.54 0.00 1.87 1.59 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.52 7.81 3 E 9.61 5.37 0.00 1.84 1.80 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 2.23 2.32 0.00 4 V 8.74 4.59 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 0.70 0.00 0.00 0.95 0.00 0.00 5 T 8.44 5.03 4.25 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 1.22 0.00 0.00 6 I 8.60 4.60 1.89 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 1.13 1.52 0.95 0.00 0.00 7 E 8.77 4.76 0.00 2.10 1.80 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 2.35 2.41 0.00 8 I 8.91 4.35 1.90 0.00 0.00 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 1.39 1.06 1.04 0.00 0.00 9 K 8.89 3.79 0.00 1.77 1.89 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.42 7.81 10 N 8.08 4.78 0.00 2.97 3.12 0.00 0.00 6.40 7.01 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 11 K 8.63 4.03 0.00 1.80 1.77 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.00 7.81 12 T 7.99 4.21 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 1.18 0.00 0.00 13 G 7.75 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 14 L 8.24 4.22 0.00 1.40 1.36 0.23 0.91 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 15 H 7.84 4.80 0.00 3.32 3.08 0.00 5.96 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.61 3.41 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 17 R 8.62 3.89 0.00 1.82 1.98 0.00 3.27 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.33 0.00 18 P 0.00 3.73 0.00 1.63 0.49 0.00 3.60 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 19 A 7.66 3.94 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 20 A 8.13 3.98 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 21 L 8.38 3.99 0.00 1.95 1.93 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.89 4.17 0.00 3.45 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 23 V 8.14 3.84 2.27 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 1.05 0.00 0.00 1.16 0.00 0.00 24 Q 8.19 3.95 0.00 2.16 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 25 T 8.48 4.00 4.28 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 1.28 0.00 0.00 26 A 7.96 4.07 1.21 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 27 S 8.07 4.33 0.00 3.98 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 28 K 7.84 3.90 0.00 1.17 1.19 0.00 1.53 0.00 0.00 1.49 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.55 7.81 29 F 7.13 4.99 0.00 3.00 3.20 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 30 S 9.27 4.33 0.00 3.95 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 31 S 8.20 4.38 0.00 3.78 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 32 Q 8.58 4.02 0.00 1.71 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 33 I 7.57 4.87 1.72 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 1.21 0.69 0.96 0.00 0.00 34 W 9.64 5.44 0.00 3.26 2.94 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 0.00 35 V 9.08 4.95 2.18 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 1.03 0.00 0.00 1.24 0.00 0.00 36 E 9.38 5.24 0.00 2.06 1.76 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 2.19 2.42 0.00 37 K 9.09 4.56 0.00 1.79 1.57 0.00 1.81 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.40 7.81 38 D 9.57 4.47 0.00 2.78 2.67 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 39 N 7.94 4.55 0.00 2.83 2.96 0.00 0.00 7.26 6.68 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 40 K 7.84 4.42 0.00 1.90 1.81 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.40 7.81 41 K 8.66 5.15 0.00 1.75 1.64 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 2.29 0.00 0.00 0.00 0.00 1.37 1.55 7.81 42 V 8.92 4.74 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 0.77 0.00 0.00 1.07 0.00 0.00 43 N 8.83 4.68 0.00 2.77 2.71 0.00 0.00 6.85 8.31 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 44 A 9.08 4.35 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.73 4.17 0.00 1.78 1.82 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.17 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.30 7.81 *46 S 7.65 4.48 0.00 3.63 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 47 I 8.12 3.89 1.89 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 1.53 1.26 0.92 0.00 0.00 48 M 8.12 4.12 0.00 2.13 2.05 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 2.67 2.62 0.00 49 G 8.11 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 0.00 0.00 0.00 50 I 7.76 3.67 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.93 0.75 0.00 0.00 51 M 8.31 4.20 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.43 0.00 52 S 8.05 4.18 0.00 3.69 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 53 L 7.82 4.26 0.00 1.80 1.82 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.59 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 55 V 7.23 3.95 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 1.07 0.00 0.00 0.85 0.00 0.00 56 S 8.21 5.06 0.00 4.01 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 57 Q 8.42 4.23 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.66 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 58 G 9.47 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 0.00 0.00 0.00 0.00 59 N 7.95 4.46 0.00 2.88 2.76 0.00 0.00 6.36 7.77 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 60 V 8.33 4.74 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 0.81 0.00 0.00 0.94 0.00 0.00 61 V 8.78 4.69 2.19 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 0.64 0.00 0.00 1.01 0.00 0.00 62 K 8.80 4.98 0.00 1.83 1.68 0.00 1.61 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.52 7.81 63 L 8.91 5.36 0.00 1.68 1.65 1.02 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 64 S 9.32 5.48 0.00 3.95 3.98 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 65 A 9.05 5.28 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 66 E 10.26 5.04 0.00 2.35 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 2.19 2.11 0.00 67 G 8.71 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 0.00 0.00 0.00 0.00 68 D 8.40 4.27 0.00 2.79 2.83 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 69 D 7.71 4.99 0.00 2.88 2.94 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 0.00 70 E 8.44 3.86 0.00 2.34 2.36 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 2.45 2.40 0.00 71 E 7.97 3.88 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 2.38 2.38 0.00 72 E 8.02 3.97 0.00 2.01 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 2.40 2.35 0.00 73 A 7.53 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 I 7.29 3.50 1.91 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 1.50 0.91 0.88 0.00 0.00 75 K 7.94 3.79 0.00 1.82 1.85 0.00 1.50 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.58 7.81 76 A 8.01 3.98 1.45 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 0.00 0.00 0.00 77 L 7.40 3.83 0.00 1.69 1.65 0.65 0.08 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 78 V 7.83 3.72 2.17 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 0.80 0.00 0.00 0.93 0.00 0.00 79 D 8.29 4.44 0.00 2.87 2.67 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 80 L 7.86 3.70 0.00 1.84 1.68 0.98 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 *81 I 7.44 4.05 1.87 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 0.68 0.91 0.00 0.00 82 E 8.42 4.37 0.00 2.19 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 2.21 1.88 0.00 83 S 7.75 4.44 0.00 3.92 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 84 K 8.60 3.83 0.00 1.95 2.02 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.46 7.81 85 F 7.96 4.13 0.00 3.23 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 * Residues marked with a * may have inaccurate shift predictions.