NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.2682 8.3344 116.7892 57.6467 62.9894 170.6160 5 L 3.5802 7.8759 126.3250 53.1493 41.2399 175.2070 6 K 4.5272 9.3097 125.5921 56.6319 34.4188 176.8463 7 K 4.4671 8.1007 118.4274 51.9099 32.5473 174.6162 8 G 3.8792 7.3377 106.3226 44.4553 0.0000 172.7847 9 V 4.3344 8.7145 119.9419 64.4058 32.7316 176.4292 10 F 3.9759 8.0659 111.4103 57.3516 36.8363 176.1592 11 V 3.4024 7.7772 126.2905 61.9737 30.7865 175.3470 12 D 4.2704 8.6462 124.5716 54.8577 41.1821 178.0182 13 D 4.2428 8.8551 124.7020 57.3389 40.7049 177.9469 14 H 4.2806 8.0416 111.7821 57.0572 28.4904 175.4304 15 L 4.5681 8.1456 121.0454 56.9341 43.1867 178.5347 16 L 3.9300 7.3445 118.2979 57.6121 41.4514 179.3943 17 E 3.9152 8.0479 119.2399 59.2521 29.7775 178.2024 18 K 4.1920 7.9855 116.4071 57.6219 32.8723 177.0175 19 V 4.0063 7.9624 118.0010 64.9918 32.7609 177.3503 20 L 4.3376 8.4743 119.5562 56.0925 41.9109 178.3151 21 E 4.1806 8.0137 115.7276 57.7521 30.1114 177.3799 22 L 4.6746 7.4501 118.4373 54.4870 41.9179 177.1415 23 N 4.8433 7.9883 118.7045 53.7916 40.7589 174.0356 24 A 4.4658 7.6009 121.3882 49.6231 16.9990 176.7182 25 K 3.9497 8.7787 116.9820 56.9310 30.3605 179.0015 26 G 4.3596 7.1819 104.5930 46.6353 0.0000 176.8033 27 E 4.7074 7.3936 133.8540 55.3366 30.1636 180.3427 28 K 4.3842 8.5715 125.5182 56.3255 30.7201 176.9366 29 R 4.7098 8.1138 127.7261 57.0289 31.0292 175.2190 30 L 4.1584 7.8862 121.7043 55.2789 40.2166 178.2243 31 I 4.0187 7.1979 119.1638 59.8580 38.5398 175.0352 32 K 3.7912 8.2822 127.9196 55.9254 31.9100 176.1817 33 T 4.4938 7.9227 120.0162 60.2054 70.0108 174.3660 34 W 5.0302 8.7491 120.5320 56.2773 31.9370 176.8188 35 S 4.6803 8.0331 116.0296 57.2901 60.9470 175.3644 36 R 4.0490 7.9271 119.6394 58.9177 29.8353 178.9414 37 R 4.3761 7.9841 114.0743 56.9095 29.9697 176.0024 38 S 4.2538 8.0090 115.5448 56.9305 64.9295 174.0312 39 T 3.8963 7.7508 119.4474 64.0487 69.1237 173.7479 40 I 3.8581 8.0599 125.9518 61.4238 37.8878 175.8482 41 V 3.4061 8.4509 120.9783 60.7233 30.7927 175.1669 42 P 4.4167 0.0000 0.0000 63.7218 30.4542 176.7186 43 E 4.4196 8.0804 116.8133 56.6919 33.1696 174.8914 44 M 3.8257 7.8966 121.4776 56.3494 32.3690 176.3655 45 V 4.3363 7.8548 115.8960 59.7392 35.4525 175.8785 46 G 3.5754 8.0429 114.3324 47.1576 0.0000 173.2262 47 H 4.0939 7.5522 121.4181 55.0518 26.8950 173.8919 48 T 3.9824 8.1856 113.9121 61.9200 69.9364 173.0501 49 I 4.7990 8.7979 126.4985 58.4881 39.8147 177.5270 50 A 4.7413 8.4355 132.4176 51.8844 17.5871 177.2493 51 V 3.6345 7.8425 119.7681 63.9967 32.3939 174.8851 52 Y 4.8721 8.1685 128.4840 56.9489 39.2413 175.3429 53 N 4.7633 6.9151 119.3424 51.8265 37.5121 176.1849 54 G 4.3386 7.3321 111.2398 47.0790 0.0000 171.5162 55 K 4.1703 8.0684 119.2495 56.5260 33.5645 175.7974 56 Q 4.9306 7.9399 113.8918 54.5571 33.3975 173.8041 57 H 4.8849 8.7799 116.7311 55.5000 29.0234 176.4891 58 V 3.9738 8.6504 119.4062 59.4819 30.9734 173.2513 59 P 4.3927 0.0000 0.0000 63.2119 31.5500 175.5893 60 V 4.4140 8.2742 125.0068 59.8375 33.9537 176.1607 61 Y 4.2143 8.4989 126.0447 58.7425 39.1483 175.6295 62 I 4.3036 6.3302 111.1246 60.5399 39.6024 175.9569 63 T 4.4954 7.6191 113.0871 61.3746 69.5518 173.9223 64 E 4.2065 8.3739 120.1081 59.0597 30.3920 178.1329 65 N 4.3553 8.4448 115.1199 56.6774 38.4992 176.1995 66 M 4.4637 7.7662 118.3969 55.7291 29.0903 175.6517 67 V 3.9827 7.9460 125.0469 65.3887 32.9420 177.5386 68 G 3.6864 8.0770 108.1716 48.6253 0.0000 173.6545 69 H 4.2580 7.7414 115.5965 55.0808 29.5189 174.5078 70 K 4.2427 8.7637 122.5628 55.8736 33.1482 177.7316 71 L 4.1372 8.4194 122.9884 58.3231 42.0829 179.9910 72 G 3.9476 8.2243 107.2661 48.9477 0.0000 175.1439 73 E 3.7702 8.0575 119.0295 57.8176 29.7773 177.5240 74 F 4.8632 7.6900 117.8741 56.5460 40.4456 175.8378 75 A 4.6340 8.2900 116.7562 50.2303 20.9259 175.4797 76 P 4.1559 0.0000 0.0000 63.0585 31.9984 177.4566 77 T 4.0873 8.4825 111.6583 63.3968 69.5592 175.1842 78 R 4.4776 7.6409 119.4573 54.9961 31.7065 175.8776 79 T 4.3076 8.1970 116.9929 63.1837 70.5140 173.9632 80 Y 3.7183 8.4612 121.8153 59.0046 36.5925 169.6062 81 R 3.9498 7.3587 118.8893 55.6637 32.0072 177.6949 *82 G 3.7274 8.4809 107.0681 46.5249 0.0000 172.7577 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 4.27 0.00 3.88 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 7.88 3.58 0.00 1.53 1.75 1.10 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 6 K 9.31 4.53 0.00 1.90 2.02 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.32 1.38 7.81 7 K 8.10 4.47 0.00 1.69 1.75 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.47 7.81 8 G 7.34 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.71 4.33 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 0.89 0.00 0.00 0.95 0.00 0.00 10 F 8.07 3.98 0.00 3.32 3.45 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 11 V 7.78 3.40 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 0.63 0.00 0.00 0.87 0.00 0.00 12 D 8.65 4.27 0.00 2.65 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 0.00 0.00 0.00 0.00 13 D 8.86 4.24 0.00 2.68 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 8.04 4.28 0.00 3.29 3.47 0.00 5.50 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.15 4.57 0.00 1.84 1.69 0.91 0.67 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 16 L 7.34 3.93 0.00 1.72 1.71 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.05 3.92 0.00 2.00 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 2.38 2.30 0.00 18 K 7.99 4.19 0.00 1.87 1.81 0.00 1.69 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.47 7.81 19 V 7.96 4.01 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 0.87 0.00 0.00 0.86 0.00 0.00 20 L 8.47 4.34 0.00 1.77 1.67 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.01 4.18 0.00 2.09 2.13 0.00 0.00 0.00 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 2.26 0.00 22 L 7.45 4.67 0.00 1.78 1.61 0.91 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.99 4.84 0.00 2.99 2.88 0.00 0.00 7.11 8.12 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 24 A 7.60 4.47 1.25 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 0.00 0.00 0.00 25 K 8.78 3.95 0.00 1.91 2.32 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.34 7.81 26 G 7.18 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 0.00 0.00 0.00 0.00 27 E 7.39 4.71 0.00 1.95 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 2.31 2.39 0.00 28 K 8.57 4.38 0.00 1.74 1.54 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.39 7.81 29 R 8.11 4.71 0.00 1.94 2.02 0.00 3.09 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.49 0.00 30 L 7.89 4.16 0.00 1.61 1.63 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.20 4.02 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.17 1.01 0.00 0.00 32 K 8.28 3.79 0.00 1.34 0.96 0.00 1.64 0.00 0.00 1.43 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.16 1.26 7.81 33 T 7.92 4.49 4.21 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 1.19 0.00 0.00 34 W 8.75 5.03 0.00 3.48 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 35 S 8.03 4.68 0.00 4.10 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 0.00 36 R 7.93 4.05 0.00 2.14 2.32 0.00 3.04 0.00 0.00 3.46 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.70 0.00 37 R 7.98 4.38 0.00 2.15 2.23 0.00 3.13 0.00 0.00 3.51 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 38 S 8.01 4.25 0.00 3.72 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 39 T 7.75 3.90 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 1.19 0.00 0.00 40 I 8.06 3.86 2.16 0.00 0.00 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 1.30 0.68 0.99 0.00 0.00 41 V 8.45 3.41 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 0.76 0.00 0.00 0.91 0.00 0.00 42 P 0.00 4.42 0.00 2.02 2.08 0.00 3.59 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 43 E 8.08 4.42 0.00 1.83 1.78 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 2.22 2.24 0.00 44 M 7.90 3.83 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.64 0.00 45 V 7.85 4.34 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 0.72 0.00 0.00 0.84 0.00 0.00 46 G 8.04 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.55 4.09 0.00 3.06 3.24 0.00 5.72 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.19 3.98 4.29 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 1.51 0.00 0.00 49 I 8.80 4.80 1.85 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 1.11 1.55 0.97 0.00 0.00 50 A 8.44 4.74 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 51 V 7.84 3.63 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 1.06 0.00 0.00 0.99 0.00 0.00 52 Y 8.17 4.87 0.00 2.70 2.80 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 N 6.92 4.76 0.00 2.93 2.79 0.00 0.00 7.10 7.18 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 54 G 7.33 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 0.00 0.00 0.00 0.00 55 K 8.07 4.17 0.00 1.61 1.71 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.39 7.81 56 Q 7.94 4.93 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 57 H 8.78 4.88 0.00 3.07 3.33 0.00 5.75 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.65 3.97 2.11 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 0.66 0.00 0.00 1.01 0.00 0.00 59 P 0.00 4.39 0.00 2.09 2.15 0.00 3.69 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 60 V 8.27 4.41 2.15 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 1.00 0.00 0.00 0.97 0.00 0.00 61 Y 8.50 4.21 0.00 2.80 2.91 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 62 I 6.33 4.30 1.68 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.64 0.56 0.00 0.00 63 T 7.62 4.50 4.33 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 1.37 0.00 0.00 64 E 8.37 4.21 0.00 1.97 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 2.27 2.26 0.00 65 N 8.44 4.36 0.00 2.75 2.94 0.00 0.00 6.91 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 66 M 7.77 4.46 0.00 2.02 2.21 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 67 V 7.95 3.98 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 0.82 0.00 0.00 1.03 0.00 0.00 68 G 8.08 3.69 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 0.00 0.00 0.00 69 H 7.74 4.26 0.00 3.47 3.32 0.00 5.90 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.76 4.24 0.00 1.80 1.94 0.00 2.07 0.00 0.00 1.91 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.60 1.51 7.81 71 L 8.42 4.14 0.00 1.81 1.85 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.22 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.06 3.77 0.00 1.27 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 2.17 2.26 0.00 74 F 7.69 4.86 0.00 3.11 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 75 A 8.29 4.63 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 76 P 0.00 4.16 0.00 2.17 2.10 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 77 T 8.48 4.09 4.21 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 1.17 0.00 0.00 78 R 7.64 4.48 0.00 1.81 1.89 0.00 3.19 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 79 T 8.20 4.31 4.29 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 1.28 0.00 0.00 80 Y 8.46 3.72 0.00 2.97 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 81 R 7.36 3.95 0.00 1.78 1.83 0.00 3.44 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 *82 G 8.48 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.