NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 D 4.7517 8.3644 121.4668 53.8521 41.9315 174.2127 3 Q 4.4008 8.1981 121.3362 53.4792 32.6785 172.9561 4 K 4.5954 8.8876 125.3992 56.0625 33.7483 177.4123 5 L 4.1567 8.8943 124.7256 58.3205 41.7936 179.7374 6 S 4.0860 8.3454 114.5260 61.6714 62.9048 176.3752 7 D 4.3870 8.0907 122.2457 56.6982 40.4146 178.1710 8 F 4.3922 8.2248 120.3250 61.9427 39.6593 176.6583 9 H 3.9592 8.2942 115.4390 58.7732 28.3879 177.3721 10 A 4.1075 8.3456 122.8903 55.3025 18.1260 179.1951 11 E 4.1886 8.0867 115.0297 57.7979 29.6694 177.8813 12 S 4.6565 7.9903 115.7482 58.4443 63.6251 174.1255 13 G 3.5628 9.7101 107.6171 44.6496 0.0000 175.7281 14 G 4.0399 8.5535 108.8559 45.3831 0.0000 174.4212 15 C 4.1994 8.4775 115.2684 62.6316 27.9306 175.8649 16 E 4.5774 8.1647 115.9795 57.6191 29.5393 178.5074 17 S 4.1323 8.0701 114.9428 60.8571 62.7568 174.3760 18 C 4.7412 8.1191 116.0332 59.6237 30.5179 173.0899 19 H 5.0683 8.1205 116.8669 53.0919 31.0018 173.2881 20 K 3.8694 7.9708 124.9627 57.8980 32.1822 176.2041 21 D 4.3957 9.6199 124.2500 55.0906 38.3761 174.2767 22 G 3.9798 8.4569 104.7532 46.2319 0.0000 174.0435 23 T 4.5336 7.7243 115.8697 60.3120 70.9952 172.5342 24 P 4.4825 0.0000 0.0000 62.4566 32.0707 176.3747 25 S 4.3780 8.6402 115.3280 57.6644 64.0457 174.4156 26 A 4.1414 8.4617 124.1654 55.3043 18.4237 178.8988 27 D 4.4121 8.1725 114.4196 55.2755 41.4912 178.0024 28 G 4.1024 8.6764 105.8800 45.2659 0.0000 175.1303 29 A 4.1349 7.9621 122.2228 54.9259 18.4644 179.3644 30 F 3.9767 8.3697 118.7375 61.6573 39.3949 177.0473 31 E 4.3155 8.4122 118.8892 58.9153 29.3699 178.8537 32 F 4.3892 8.5494 120.4983 61.4139 39.4155 176.9795 33 A 3.6706 8.1144 120.2662 55.0928 18.2748 179.6311 34 Q 3.7729 7.8535 116.4293 59.2191 28.7681 178.6678 35 C 4.1880 8.2241 117.8793 63.2220 28.1685 176.4378 36 Q 4.2798 8.2112 120.8540 58.1379 27.9471 178.7442 37 S 4.0023 7.7575 114.8454 61.1306 62.8588 175.7117 38 C 4.3029 7.4184 117.5882 61.5821 28.7991 174.9238 39 H 4.6543 8.2718 114.8086 56.2650 29.4154 176.2820 40 G 3.7608 8.3898 109.8277 44.4958 0.0000 172.6424 41 K 4.4760 8.0494 116.6742 54.6907 34.0258 177.6874 42 L 4.1059 8.6534 121.5737 58.1320 41.6972 180.0287 43 S 4.2378 8.2333 111.4205 60.5432 63.0545 174.5094 44 E 4.4826 8.1397 119.1346 56.3154 29.4928 175.4520 45 M 4.6139 7.5089 120.5042 53.7094 34.6071 175.0202 46 D 4.7279 8.2369 119.2732 53.3057 42.3651 176.2264 47 A 4.0036 8.4537 120.0166 55.0562 18.3204 179.5750 48 V 3.6987 7.7107 116.3887 66.2338 31.8671 177.6196 49 H 4.4669 8.2460 115.3124 58.5341 28.9761 177.2841 50 K 4.0564 8.2826 120.9137 59.0641 31.8367 177.0159 51 P 4.4438 0.0000 0.0000 64.4472 31.6913 176.2578 52 H 4.6958 8.2388 116.3575 55.9721 29.2151 174.5051 53 D 4.5713 7.8551 120.9863 55.6539 41.1719 176.5361 54 G 4.1050 9.2799 115.2159 45.3101 0.0000 173.1808 55 N 4.8915 8.2358 114.8629 52.3763 39.3420 174.5528 56 L 4.8280 7.6991 116.3366 52.7581 45.2475 175.9130 57 V 3.1771 8.0070 113.9359 59.3310 33.5831 177.2425 58 C 4.0940 8.6476 118.6798 63.2052 27.6535 176.3194 59 A 4.8239 7.8211 120.3799 53.8363 18.1883 178.8336 60 D 4.4744 7.9664 115.3789 56.4513 41.2265 176.7915 61 C 4.4186 7.4457 111.4614 61.3155 30.1213 174.2825 62 H 4.4483 8.3244 121.3239 54.7473 27.3316 174.1958 63 A 4.5077 8.1244 128.9987 50.6465 17.5497 178.0101 64 V 3.6670 8.0494 115.6948 64.8196 32.1039 177.8657 65 H 4.9576 8.1116 114.3111 55.6570 28.2194 175.5046 66 D 4.5932 8.1489 118.5643 55.1841 41.3292 176.0207 67 M 4.4955 8.0414 120.1048 53.2058 34.3774 175.2869 68 N 5.0662 8.1999 116.5860 52.9585 39.3751 174.8437 69 V 3.8507 8.2394 119.6155 64.2395 31.8105 175.8627 70 G 4.0097 8.7481 110.2143 45.3179 0.0000 173.9117 71 Q 4.0701 7.7604 121.1600 55.6688 29.4013 175.2088 72 K 4.4321 8.4392 125.1016 54.3486 33.3461 174.9687 73 P 4.2690 0.0000 0.0000 63.1048 31.7843 175.9048 74 T 4.5697 8.0979 111.4381 60.4930 71.3953 173.4962 75 C 4.8129 8.2313 115.6967 59.5278 29.5220 175.9406 76 E 4.4250 8.3435 117.2428 57.8003 29.5745 179.0010 77 S 4.3189 8.0400 113.6273 60.5511 63.2429 174.4537 78 C 4.7616 7.5214 116.0701 59.0146 29.7788 173.6013 79 H 5.0080 8.1234 116.3605 53.9768 31.5141 173.5387 80 D 4.9034 8.7433 120.7961 53.2695 39.8757 176.2896 81 D 4.5307 8.1439 118.4003 53.3427 39.9282 177.1340 82 G 3.9058 8.2450 107.8031 45.7193 0.0000 174.0807 83 R 4.0755 8.0969 115.9100 56.2287 30.1164 176.1596 84 T 4.7567 8.2634 109.3659 59.1458 73.3149 175.2367 85 S 4.1036 8.4938 115.6417 61.5527 63.0002 176.2894 86 A 4.0433 7.9758 124.2076 54.9239 17.9729 179.6172 87 S 4.1248 7.8865 111.6996 61.1233 63.1673 176.4919 88 V 3.8278 7.4783 120.8664 65.5126 31.5769 177.5552 89 L 4.1914 8.2771 117.9260 56.6597 41.6627 178.1035 90 K 4.6145 7.6628 117.5368 55.3697 32.9330 176.0497 91 K 4.1577 8.2206 124.9805 56.8997 32.0315 175.9861 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 *2 D 8.36 4.75 0.00 2.48 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 8.20 4.40 0.00 2.17 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.01 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 4 K 8.89 4.60 0.00 1.92 1.89 0.00 1.87 0.00 0.00 1.77 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.47 7.81 5 L 8.89 4.16 0.00 1.84 1.91 1.17 0.91 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 6 S 8.35 4.09 0.00 3.88 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 7 D 8.09 4.39 0.00 2.92 2.92 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 8 F 8.22 4.39 0.00 2.87 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 H 8.29 3.96 0.00 3.38 3.25 0.00 5.87 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.35 4.11 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 11 E 8.09 4.19 0.00 2.37 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 2.35 2.22 0.00 12 S 7.99 4.66 0.00 3.64 3.72 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 13 G 9.71 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 14 G 8.55 4.04 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 0.00 0.00 0.00 15 C 8.48 4.20 0.00 3.05 3.09 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 16 E 8.16 4.58 0.00 2.16 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 2.45 2.27 0.00 17 S 8.07 4.13 0.00 3.82 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 18 C 8.12 4.74 0.00 2.83 2.82 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 19 H 8.12 5.07 0.00 3.29 3.29 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.97 3.87 0.00 0.79 1.11 0.00 1.74 0.00 0.00 1.41 0.00 0.00 2.76 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.30 1.26 7.81 21 D 9.62 4.40 0.00 2.80 2.69 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 0.00 0.00 0.00 0.00 22 G 8.46 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 0.00 0.00 0.00 23 T 7.72 4.53 4.30 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 1.15 0.00 0.00 24 P 0.00 4.48 0.00 2.13 1.89 0.00 3.66 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.86 0.00 25 S 8.64 4.38 0.00 4.04 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 26 A 8.46 4.14 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 27 D 8.17 4.41 0.00 2.73 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.68 4.10 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 0.00 0.00 0.00 29 A 7.96 4.13 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 30 F 8.37 3.98 0.00 3.22 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 31 E 8.41 4.32 0.00 2.38 2.07 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 2.52 2.62 0.00 32 F 8.55 4.39 0.00 3.09 3.23 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 33 A 8.11 3.67 1.17 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 34 Q 7.85 3.77 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.12 2.60 0.00 35 C 8.22 4.19 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 36 Q 8.21 4.28 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.78 0.00 0.00 0.00 0.00 0.00 2.26 1.78 0.00 37 S 7.76 4.00 0.00 3.93 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 38 C 7.42 4.30 0.00 2.92 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.27 4.65 0.00 3.26 3.30 0.00 5.69 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.39 3.76 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 0.00 0.00 0.00 41 K 8.05 4.48 0.00 1.92 1.73 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.01 7.81 42 L 8.65 4.11 0.00 2.00 1.83 1.11 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.23 4.24 0.00 3.99 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 44 E 8.14 4.48 0.00 2.38 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 2.26 2.13 0.00 45 M 7.51 4.61 0.00 1.89 2.20 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.39 0.00 46 D 8.24 4.73 0.00 2.98 2.87 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 47 A 8.45 4.00 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 48 V 7.71 3.70 2.24 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 0.78 0.00 0.00 0.94 0.00 0.00 49 H 8.25 4.47 0.00 3.45 3.40 0.00 5.90 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 50 K 8.28 4.06 0.00 1.80 1.91 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.66 1.86 7.81 51 P 0.00 4.44 0.00 2.04 2.11 0.00 3.87 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.92 0.00 52 H 8.24 4.70 0.00 3.44 3.37 0.00 5.82 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.86 4.57 0.00 2.75 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.28 4.10 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 0.00 0.00 0.00 55 N 8.24 4.89 0.00 2.80 2.90 0.00 0.00 6.71 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 56 L 7.70 4.83 0.00 1.57 1.55 0.79 0.90 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 57 V 8.01 3.18 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 -0.03 0.00 0.00 0.76 0.00 0.00 58 C 8.65 4.09 0.00 3.10 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 59 A 7.82 4.82 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 60 D 7.97 4.47 0.00 2.73 2.68 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 0.00 0.00 0.00 0.00 61 C 7.45 4.42 0.00 2.83 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 62 H 8.32 4.45 0.00 3.30 3.28 0.00 5.60 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 63 A 8.12 4.51 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.05 3.67 2.07 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 0.81 0.00 0.00 0.91 0.00 0.00 65 H 8.11 4.96 0.00 3.19 3.34 0.00 5.74 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.15 4.59 0.00 2.95 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 67 M 8.04 4.50 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.69 0.00 68 N 8.20 5.07 0.00 2.78 2.78 0.00 0.00 6.42 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 69 V 8.24 3.85 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 0.43 0.00 0.00 0.83 0.00 0.00 70 G 8.75 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 71 Q 7.76 4.07 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 72 K 8.44 4.43 0.00 1.79 1.73 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.46 7.81 73 P 0.00 4.27 0.00 1.93 2.05 0.00 3.61 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.04 0.00 74 T 8.10 4.57 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 1.21 0.00 0.00 75 C 8.23 4.81 0.00 3.12 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 76 E 8.34 4.42 0.00 2.11 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 0.00 2.35 2.20 0.00 77 S 8.04 4.32 0.00 3.98 4.03 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 78 C 7.52 4.76 0.00 2.96 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 79 H 8.12 5.01 0.00 3.28 3.11 0.00 5.58 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.74 4.90 0.00 2.76 2.75 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 0.00 0.00 0.00 0.00 81 D 8.14 4.53 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 82 G 8.25 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 0.00 0.00 0.00 83 R 8.10 4.08 0.00 1.91 2.24 0.00 2.81 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 84 T 8.26 4.76 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 1.27 0.00 0.00 85 S 8.49 4.10 0.00 4.07 4.16 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 86 A 7.98 4.04 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 87 S 7.89 4.12 0.00 4.06 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 88 V 7.48 3.83 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 0.86 0.00 0.00 0.91 0.00 0.00 89 L 8.28 4.19 0.00 1.61 1.74 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 90 K 7.66 4.61 0.00 1.88 1.78 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.48 7.81 91 K 8.22 4.16 0.00 1.93 1.70 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.