NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6010 8.2076 120.1907 54.2701 41.9077 175.6581 3 E 4.2861 8.3761 122.0974 55.8712 30.3977 176.7787 4 Q 4.5841 9.0695 119.5573 58.9207 28.6670 179.4466 5 S 4.1962 7.9285 116.2533 60.4111 63.5144 176.4255 6 V 3.6120 7.3460 120.0706 65.7434 31.1999 177.6488 7 E 3.9524 9.5643 119.4698 59.5203 29.2736 178.8294 8 S 4.1096 7.4233 113.5728 61.8360 62.9561 176.6748 9 I 4.0603 7.5814 122.0280 64.3954 37.0243 178.3639 10 A 4.1418 8.6530 122.0287 54.9398 17.9962 179.2499 11 E 3.9118 8.9160 118.5941 59.6112 29.5185 179.3094 12 V 3.6239 7.5047 116.8816 65.0059 31.2309 176.9669 13 F 4.6832 8.0869 116.1684 56.2849 39.6020 174.8524 14 R 4.7986 7.1549 117.9637 54.3470 31.4294 176.1630 15 C 4.1442 8.8752 123.2511 59.5863 31.8080 173.8775 16 F 4.4222 7.7907 121.1343 58.5261 37.7527 176.4044 17 I 3.9502 6.7785 122.2243 63.3919 37.5609 176.3908 18 C 3.9463 7.1882 115.9791 60.1020 29.9868 174.7994 *20 E 4.2195 8.0008 117.5250 54.8355 31.8907 175.3582 21 K 4.3752 8.5302 119.3256 56.6889 32.7827 177.4658 22 L 4.1310 7.9562 123.7670 54.8758 42.3096 176.6475 23 R 4.2911 8.2264 123.4498 54.4375 32.5006 174.5860 24 D 4.2482 8.5884 127.4097 54.4526 39.0769 173.2941 25 A 4.4183 7.6494 120.7990 53.0363 19.8310 178.2780 26 R 4.6259 9.2588 120.2626 54.1009 34.6621 174.3948 27 L 5.1824 8.3798 121.9132 53.3376 45.7748 174.9169 28 C 4.7878 9.0907 127.2078 58.2643 31.9945 172.7248 29 P 4.2567 0.0000 0.0000 65.2381 31.2769 176.8344 30 H 4.6635 7.9824 115.4377 56.9820 29.1718 175.3162 31 C 4.6783 7.5921 110.6636 56.6166 30.6782 175.3470 32 S 4.0687 8.5759 114.1674 58.3121 62.4504 171.0419 33 K 4.1103 7.3509 120.6226 56.9783 33.2463 175.7086 34 L 5.1872 8.5601 122.5462 53.6149 44.2562 175.0529 35 C 4.4275 8.9917 122.2586 57.2696 35.6950 173.2614 36 C 4.4825 8.4445 121.9038 59.8153 28.8117 174.5919 37 F 4.4534 8.8325 125.1860 61.8956 38.8590 177.9809 38 S 3.9848 8.0784 114.0827 61.6581 62.6679 176.2996 39 C 4.1369 7.9806 118.8083 63.0080 28.0268 175.9137 40 I 3.7822 7.6606 119.7485 64.1275 37.3827 177.4108 41 R 3.9190 8.2333 119.6961 59.6044 29.8793 178.1853 42 R 3.8831 8.4770 118.4754 59.4330 30.0823 178.5037 43 W 4.0274 8.4168 128.0578 60.4172 30.5609 178.1023 44 L 4.6225 8.2122 119.1520 56.7472 41.1610 178.5005 45 T 4.5117 7.3766 113.5211 63.6514 69.1079 175.2667 46 E 4.7209 7.8921 117.8875 55.8925 33.5786 174.5968 47 Q 4.1887 8.1418 118.2573 56.1300 30.9633 176.3872 48 R 4.6007 8.2454 111.0428 54.3229 35.6249 174.7368 49 A 4.7991 8.3603 122.4746 50.8595 16.6644 176.0192 50 Q 5.0846 7.6873 118.0987 54.6143 32.7216 175.5414 51 C 4.3799 9.3927 121.9625 58.4880 32.2630 172.3618 52 P 4.4328 0.0000 0.0000 63.8254 30.8779 175.5501 53 H 4.4452 7.6368 117.3745 58.0807 31.8287 174.4612 54 C 3.9655 7.7504 118.3956 60.0046 31.6445 175.0636 55 R 4.0148 8.2958 115.5257 56.3549 28.8995 176.2783 56 A 4.1880 7.4397 120.2825 51.1255 19.6550 175.3955 57 P 4.7734 0.0000 0.0000 62.6653 32.1193 175.8356 58 L 5.0444 8.8615 125.9620 53.5492 45.0498 175.5445 59 Q 4.8107 9.0728 124.4489 53.6030 31.9292 176.3587 60 L 4.0287 8.6437 122.4974 58.5076 42.1994 179.5247 61 R 4.1165 7.9357 115.5190 58.4963 30.1163 177.2600 62 E 4.2039 8.1295 116.6519 57.6891 29.9015 176.9706 63 L 4.1628 7.5561 119.7613 54.5770 42.5134 176.7214 64 V 4.0191 8.3504 123.7493 61.5851 33.2627 174.3627 65 N 4.5327 8.5445 127.0189 53.2907 39.2185 174.2019 66 C 3.8369 8.1523 128.9533 58.4827 31.2736 174.2583 67 R 3.7085 8.1139 126.6703 57.8679 30.2517 177.9004 68 W 4.6011 7.0150 112.9455 56.8730 29.2580 177.9895 69 A 4.1955 7.0909 122.1516 55.1733 17.5947 179.1857 70 E 3.8370 8.0744 117.4210 59.4147 29.8250 178.2005 71 E 3.8943 8.2448 118.7556 59.4164 29.7094 178.3878 72 V 3.4567 8.1151 118.1459 66.6593 31.5240 177.9182 73 T 3.8300 8.2733 115.4128 66.9105 68.4221 176.3792 74 Q 3.9995 8.4548 120.0389 59.2832 28.6704 179.1501 75 Q 4.0215 8.0976 118.8885 58.7998 28.6989 178.7417 76 L 4.0596 7.9237 120.1865 57.8782 41.0784 179.2766 77 D 4.3777 7.8628 118.4445 57.6367 40.5742 178.6860 78 T 4.1568 7.6688 114.4250 64.9020 68.5557 174.9306 79 L 4.7565 7.1173 117.1060 55.1183 41.5116 177.4724 80 Q 4.0492 8.0866 119.3109 58.1703 28.9220 176.1361 81 L 4.1850 7.1676 115.5860 56.5757 40.6140 176.6950 82 C 4.4475 8.9187 120.5909 59.2089 28.2686 173.5850 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 8.21 4.60 0.00 2.69 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 3 E 8.38 4.29 0.00 2.27 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 0.00 2.28 2.38 0.00 4 Q 9.07 4.58 0.00 2.31 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 5 S 7.93 4.20 0.00 3.89 3.94 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 6 V 7.35 3.61 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 0.91 0.00 0.00 0.95 0.00 0.00 7 E 9.56 3.95 0.00 2.16 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 2.32 2.42 0.00 8 S 7.42 4.11 0.00 4.11 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 9 I 7.58 4.06 2.08 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 1.53 0.98 0.99 0.00 0.00 10 A 8.65 4.14 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.92 3.91 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 2.33 2.38 0.00 12 V 7.50 3.62 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 1.04 0.00 0.00 13 F 8.09 4.68 0.00 3.15 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 14 R 7.15 4.80 0.00 1.92 1.86 0.00 3.20 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 15 C 8.88 4.14 0.00 2.74 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 16 F 7.79 4.42 0.00 3.04 3.08 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 17 I 6.78 3.95 1.61 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 -0.01 0.93 0.00 0.00 18 C 7.19 3.95 0.00 3.07 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 *20 E 8.00 4.22 0.00 1.93 1.99 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 2.49 2.30 0.00 21 K 8.53 4.38 0.00 1.65 1.77 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.51 7.81 22 L 7.96 4.13 0.00 1.41 1.60 0.96 0.72 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 23 R 8.23 4.29 0.00 1.77 1.79 0.00 3.36 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 24 D 8.59 4.25 0.00 2.94 2.79 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 A 7.65 4.42 1.12 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 26 R 9.26 4.63 0.00 1.55 1.65 0.00 2.86 0.00 0.00 2.74 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.20 0.00 27 L 8.38 5.18 0.00 1.57 1.49 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 28 C 9.09 4.79 0.00 3.09 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 29 P 0.00 4.26 0.00 2.03 2.09 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.07 0.00 30 H 7.98 4.66 0.00 3.16 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 C 7.59 4.68 0.00 3.05 3.08 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 32 S 8.58 4.07 0.00 4.18 4.15 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 33 K 7.35 4.11 0.00 1.29 1.51 0.00 1.45 0.00 0.00 1.54 0.00 0.00 2.55 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.15 0.77 7.81 34 L 8.56 5.19 0.00 1.53 1.47 0.71 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 35 C 8.99 4.43 0.00 1.90 2.41 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 36 C 8.44 4.48 0.00 2.98 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 37 F 8.83 4.45 0.00 3.28 2.97 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 38 S 8.08 3.98 0.00 3.88 3.84 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 C 7.98 4.14 0.00 2.86 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 40 I 7.66 3.78 1.86 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.35 1.18 0.00 0.00 41 R 8.23 3.92 0.00 2.01 1.94 0.00 3.29 0.00 0.00 3.09 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 42 R 8.48 3.88 0.00 1.91 2.13 0.00 3.18 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 43 W 8.42 4.03 0.00 3.71 3.27 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 44 L 8.21 4.62 0.00 1.77 1.81 1.04 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.38 4.51 4.48 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 1.19 0.00 0.00 46 E 7.89 4.72 0.00 1.92 1.75 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 2.18 2.19 0.00 47 Q 8.14 4.19 0.00 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.38 6.69 0.00 0.00 0.00 0.00 0.00 1.16 1.27 0.00 48 R 8.25 4.60 0.00 2.07 1.80 0.00 3.19 0.00 0.00 3.63 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 49 A 8.36 4.80 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 50 Q 7.69 5.08 0.00 2.37 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.90 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 51 C 9.39 4.38 0.00 3.01 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 52 P 0.00 4.43 0.00 1.50 0.49 0.00 3.74 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.88 0.00 53 H 7.64 4.45 0.00 2.45 2.52 0.00 5.72 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 54 C 7.75 3.97 0.00 2.93 2.85 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 55 R 8.30 4.01 0.00 1.94 2.04 0.00 3.19 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 56 A 7.44 4.19 1.15 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 0.00 0.00 57 P 0.00 4.77 0.00 1.94 2.01 0.00 3.53 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 58 L 8.86 5.04 0.00 1.73 1.58 1.01 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 9.07 4.81 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.54 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 60 L 8.64 4.03 0.00 1.80 1.75 1.12 1.01 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 61 R 7.94 4.12 0.00 1.86 1.99 0.00 3.27 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 62 E 8.13 4.20 0.00 2.28 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 2.35 2.30 0.00 63 L 7.56 4.16 0.00 1.52 1.49 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 64 V 8.35 4.02 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 0.87 0.00 0.00 0.89 0.00 0.00 65 N 8.54 4.53 0.00 2.59 2.60 0.00 0.00 7.09 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 66 C 8.15 3.84 0.00 2.57 2.38 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 67 R 8.11 3.71 0.00 1.84 1.95 0.00 3.26 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 68 W 7.01 4.60 0.00 3.54 3.33 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 69 A 7.09 4.20 1.14 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 0.00 0.00 0.00 0.00 0.00 70 E 8.07 3.84 0.00 2.03 1.96 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 2.38 2.37 0.00 71 E 8.24 3.89 0.00 2.17 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 0.00 2.42 2.46 0.00 72 V 8.12 3.46 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 0.07 0.00 0.00 1.04 0.00 0.00 73 T 8.27 3.83 4.47 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 1.22 0.00 0.00 74 Q 8.45 4.00 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 75 Q 8.10 4.02 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 76 L 7.92 4.06 0.00 1.89 1.69 0.69 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 77 D 7.86 4.38 0.00 2.90 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 78 T 7.67 4.16 4.36 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 1.20 0.00 0.00 79 L 7.12 4.76 0.00 1.71 1.69 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 8.09 4.05 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 81 L 7.17 4.18 0.00 1.80 1.70 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 82 C 8.92 4.45 0.00 3.07 3.10 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 * Residues marked with a * may have inaccurate shift predictions.