NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.2342 8.3349 116.7863 58.0663 64.5710 171.8857 5 L 3.6171 8.1290 123.6139 52.5124 41.0922 172.1906 6 K 4.3726 8.8424 122.4063 57.4033 37.2888 175.0814 7 K 4.5978 8.2728 118.3635 53.3611 32.6357 174.2533 8 G 4.0489 7.1535 107.6685 46.4413 0.0000 171.9335 9 V 4.3745 7.8340 113.6083 63.1389 33.7500 173.5793 10 F 3.8143 8.5578 109.5816 58.2073 38.0119 175.9286 11 V 3.1036 8.6916 123.5499 61.9240 31.1172 175.9449 12 D 4.4600 8.4618 124.4800 54.7395 41.3241 176.5322 13 D 4.4762 8.6528 122.1922 57.4862 41.2724 178.9743 14 H 4.4104 8.1664 109.7416 56.2797 28.0124 174.7119 15 L 4.5666 8.9366 118.7864 56.7559 43.4181 178.5547 16 L 3.8969 8.0734 117.8523 58.0979 41.5483 179.1671 17 E 4.1108 8.1629 118.1386 59.3097 28.1640 178.4532 18 K 4.0895 8.0175 117.8626 57.9851 32.1855 177.8024 19 V 3.9015 7.7211 117.9408 65.4066 32.1929 177.5001 20 L 4.0542 9.0582 117.5089 57.7393 41.3425 178.9140 21 E 4.2179 8.3775 118.2873 58.5974 29.6024 178.4785 22 L 4.3153 7.4001 116.6445 56.1200 41.8718 177.9228 23 N 4.8880 8.5584 116.5645 52.7483 38.0972 174.7107 24 A 4.2117 7.1287 123.0073 53.1169 16.6378 176.8217 25 K 3.8220 8.4403 118.2263 57.1696 29.6847 178.3131 26 G 3.9581 8.5010 104.9113 46.8977 0.0000 175.9871 27 E 4.3988 8.5363 124.9168 56.0065 30.7103 177.7442 28 K 4.4316 8.3976 120.4987 57.7116 31.5547 176.0067 29 R 4.5761 8.5098 113.8680 57.8974 35.1853 173.9224 30 L 3.9791 8.1956 123.4204 55.1235 41.7590 174.6474 31 I 4.3208 8.1956 121.7301 58.4302 39.2434 173.5730 32 K 4.4296 8.3949 128.4917 56.3672 32.7037 176.3387 33 T 4.8835 8.1716 117.8193 60.8038 71.3884 173.5947 34 W 4.8981 9.2486 124.0141 56.6587 30.5724 177.1752 35 S 4.7732 8.3964 115.4378 57.5912 61.8989 175.7425 36 R 4.2129 7.8950 117.4124 58.8810 30.0529 177.6330 37 R 4.9684 7.4406 114.9151 56.3821 30.3521 175.9803 38 S 4.4135 7.7871 111.1889 57.8993 66.9696 173.0990 39 T 4.4837 7.5307 116.9844 63.0522 69.9283 175.3704 40 I 4.1253 8.1522 124.7395 59.7285 36.6378 176.0940 41 V 3.6605 8.1935 126.2996 61.9642 32.0460 174.1824 42 P 4.2533 0.0000 0.0000 63.9035 31.7816 176.1155 43 E 3.6960 8.6595 120.4948 58.2302 26.1281 174.8712 44 M 4.4602 7.7625 116.6895 54.9705 33.3883 176.8531 45 V 3.5690 7.4469 112.1135 62.6204 32.5625 174.9668 46 G 4.4940 8.9090 113.5332 46.0243 0.0000 174.1578 47 H 4.5500 7.8953 118.2171 55.7176 30.1026 174.6792 48 T 4.9719 8.6944 113.4442 60.0963 71.1865 173.1003 49 I 4.4613 8.3970 126.6397 59.5422 39.8450 175.1558 50 A 4.7706 8.2770 129.4718 49.8883 17.4104 175.7141 51 V 3.9322 7.8498 120.8998 62.9798 33.3651 174.9964 52 Y 4.7342 8.2248 128.7363 56.5728 40.2810 174.9081 53 N 4.5709 7.2500 113.3418 53.0963 39.8648 173.9514 54 G 3.9196 6.7296 111.0076 45.7558 0.0000 174.1449 55 K 4.2808 7.7252 118.0779 56.9127 33.8731 175.4808 56 Q 4.6705 7.0324 113.7891 54.6287 32.9859 172.3542 57 H 4.8045 8.6489 116.3772 55.2354 29.7258 176.3230 58 V 4.1002 9.7867 118.5546 59.0591 31.8440 172.8737 59 P 4.4868 0.0000 0.0000 63.2866 31.8068 175.9242 60 V 4.4349 8.7768 125.7778 59.8176 33.5719 174.5812 61 Y 4.7872 8.6818 126.5631 57.1691 39.7603 174.0270 62 I 4.0504 6.7439 122.3848 59.7377 40.8017 173.9615 63 T 4.1073 7.4812 116.5623 60.8120 69.5611 173.5555 64 E 4.1082 8.6933 122.8502 58.2471 29.5645 178.1564 65 N 4.4489 7.7496 117.8587 56.4711 38.9059 175.3726 66 M 4.4624 7.7279 114.7629 55.4381 31.4524 174.7558 67 V 4.4940 7.6374 116.4844 62.4245 39.7578 175.7950 68 G 3.6376 7.9380 115.1129 47.8483 0.0000 172.9316 69 H 4.7175 7.5678 117.9814 54.6390 28.4520 175.4798 70 K 4.2882 8.7172 124.6762 56.4613 32.2988 178.1765 71 L 4.2813 8.7508 122.9997 58.2358 42.1178 180.0014 72 G 3.9023 8.4722 107.3922 48.8458 0.0000 174.7479 73 E 3.9693 8.2530 119.8227 55.7156 28.7808 178.2706 74 F 4.6080 7.5693 111.5624 58.3047 42.1007 174.6072 75 A 4.4649 8.0387 124.3155 49.2304 19.9559 174.8730 76 P 4.3140 0.0000 0.0000 63.7757 31.6325 176.9067 77 T 3.9616 8.6910 114.5397 63.7773 69.0923 174.8073 78 R 4.6580 7.6656 118.8430 54.1809 32.6310 175.1683 79 T 4.3634 8.1418 117.0954 63.7910 70.2245 175.1227 80 Y 4.1754 8.8056 126.9330 58.5935 35.9323 166.9617 81 R 4.3895 7.2675 120.5261 53.9942 33.6478 177.0024 *82 G 3.7274 8.4120 106.5749 46.1825 0.0000 172.7977 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 4 S 8.33 4.23 0.00 3.86 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 5 L 8.13 3.62 0.00 1.92 1.75 0.98 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.84 4.37 0.00 1.80 1.86 0.00 1.55 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.20 1.28 7.81 7 K 8.27 4.60 0.00 1.69 1.75 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.49 7.81 8 G 7.15 4.05 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 0.00 9 V 7.83 4.37 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.95 0.00 0.00 10 F 8.56 3.81 0.00 3.33 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 11 V 8.69 3.10 1.74 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 0.58 0.00 0.00 0.79 0.00 0.00 12 D 8.46 4.46 0.00 2.57 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 13 D 8.65 4.48 0.00 2.81 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 14 H 8.17 4.41 0.00 3.30 3.39 0.00 5.46 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.94 4.57 0.00 1.43 1.63 0.94 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.07 3.90 0.00 1.70 1.73 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.16 4.11 0.00 2.03 1.95 0.00 0.00 0.00 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 18 K 8.02 4.09 0.00 1.91 1.95 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.54 7.81 19 V 7.72 3.90 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 0.98 0.00 0.00 0.89 0.00 0.00 20 L 9.06 4.05 0.00 1.65 1.72 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.38 4.22 0.00 2.07 1.98 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 2.31 2.49 0.00 22 L 7.40 4.32 0.00 1.72 1.70 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.56 4.89 0.00 3.00 3.19 0.00 0.00 6.69 7.09 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 24 A 7.13 4.21 1.31 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 0.00 0.00 25 K 8.44 3.82 0.00 2.04 2.03 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.42 7.81 26 G 8.50 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 0.00 0.00 0.00 27 E 8.54 4.40 0.00 1.94 1.88 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 2.35 2.33 0.00 28 K 8.40 4.43 0.00 1.75 1.73 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.39 7.81 29 R 8.51 4.58 0.00 1.89 2.11 0.00 3.13 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 30 L 8.20 3.98 0.00 1.68 1.69 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.20 4.32 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.31 1.04 0.00 0.00 32 K 8.39 4.43 0.00 1.65 1.30 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.41 7.81 33 T 8.17 4.88 4.34 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 1.27 0.00 0.00 34 W 9.25 4.90 0.00 3.35 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 35 S 8.40 4.77 0.00 4.12 4.14 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 36 R 7.89 4.21 0.00 2.15 2.32 0.00 3.04 0.00 0.00 3.47 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.71 0.00 37 R 7.44 4.97 0.00 2.22 2.17 0.00 3.23 0.00 0.00 3.47 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 38 S 7.79 4.41 0.00 3.64 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 7.53 4.48 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 1.24 0.00 0.00 40 I 8.15 4.13 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.74 0.85 0.00 0.00 41 V 8.19 3.66 2.04 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 0.77 0.00 0.00 0.86 0.00 0.00 42 P 0.00 4.25 0.00 2.07 1.96 0.00 3.80 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 43 E 8.66 3.70 0.00 2.13 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 0.00 2.18 2.25 0.00 44 M 7.76 4.46 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 45 V 7.45 3.57 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 0.64 0.00 0.00 1.00 0.00 0.00 46 G 8.91 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.90 4.55 0.00 3.31 3.22 0.00 5.59 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.69 4.97 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 1.39 0.00 0.00 49 I 8.40 4.46 1.86 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 1.15 0.67 0.99 0.00 0.00 50 A 8.28 4.77 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 51 V 7.85 3.93 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 0.98 0.00 0.00 0.97 0.00 0.00 52 Y 8.22 4.73 0.00 2.07 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.25 4.57 0.00 2.68 2.72 0.00 0.00 6.08 7.00 0.00 0.00 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 6.73 3.92 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 0.00 0.00 0.00 55 K 7.73 4.28 0.00 1.59 1.63 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.31 7.81 56 Q 7.03 4.67 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 57 H 8.65 4.80 0.00 3.05 3.30 0.00 5.69 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 58 V 9.79 4.10 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 1.02 0.00 0.00 59 P 0.00 4.49 0.00 2.08 2.11 0.00 3.70 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 60 V 8.78 4.43 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 0.78 0.00 0.00 0.77 0.00 0.00 61 Y 8.68 4.79 0.00 2.86 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 62 I 6.74 4.05 1.74 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.67 0.90 0.00 0.00 63 T 7.48 4.11 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 1.04 0.00 0.00 64 E 8.69 4.11 0.00 2.08 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 2.24 2.31 0.00 65 N 7.75 4.45 0.00 2.67 2.93 0.00 0.00 6.96 8.79 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 66 M 7.73 4.46 0.00 2.30 2.10 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 67 V 7.64 4.49 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.95 0.00 0.00 68 G 7.94 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.57 4.72 0.00 3.43 3.27 0.00 5.68 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.72 4.29 0.00 1.91 2.11 0.00 2.27 0.00 0.00 2.09 0.00 0.00 3.18 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.68 1.69 7.81 71 L 8.75 4.28 0.00 1.81 1.87 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.47 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 73 E 8.25 3.97 0.00 1.65 1.41 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 2.21 2.21 0.00 74 F 7.57 4.61 0.00 3.25 2.98 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 75 A 8.04 4.46 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 76 P 0.00 4.31 0.00 2.32 2.09 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 77 T 8.69 3.96 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 1.20 0.00 0.00 78 R 7.67 4.66 0.00 1.81 1.88 0.00 3.20 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 79 T 8.14 4.36 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 1.24 0.00 0.00 80 Y 8.81 4.18 0.00 2.83 3.34 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 81 R 7.27 4.39 0.00 1.77 1.80 0.00 3.48 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 *82 G 8.41 3.73 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.