NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.2828 8.3349 116.7824 56.6292 65.0876 171.1423 5 L 3.8667 8.5380 125.2232 52.5628 41.2887 172.5252 6 K 4.6904 9.2138 119.5947 57.0152 37.3474 177.1146 7 K 4.1481 8.3913 118.3930 57.8858 32.5800 176.3633 8 G 4.2198 7.8370 104.5880 43.8792 0.0000 172.5701 9 V 4.2514 8.1375 115.3312 61.4986 32.0764 175.1479 10 F 3.8571 8.3972 110.6332 57.6509 36.9015 175.2732 11 V 3.6159 7.2087 120.6268 61.1175 31.3581 175.7989 12 D 4.3657 8.6175 124.6915 55.1584 40.8013 176.5709 13 D 4.7969 8.6727 121.6513 54.6793 41.0344 177.0420 14 H 4.9087 7.8465 113.2824 55.6114 29.3887 175.6476 15 L 4.4421 7.4874 120.2492 56.9480 42.4969 178.6655 16 L 3.9402 7.6395 118.3051 57.8580 41.3614 179.0674 17 E 4.0118 7.8921 118.1999 58.8139 29.2808 178.3525 18 K 4.2105 7.8596 118.0081 57.5880 32.7719 177.4840 19 V 4.1180 7.7570 116.5217 62.9174 32.2998 176.9537 20 L 4.0452 8.3436 118.8750 57.0269 41.4669 177.8729 21 E 4.2678 7.5201 115.2868 57.0741 30.3354 176.9540 22 L 4.3934 7.2635 118.9537 55.0652 42.3090 177.1617 23 N 4.5054 7.6397 116.4517 54.2096 39.1688 175.5998 24 A 4.1830 7.4496 120.2911 52.7808 16.7097 175.6299 25 K 4.4009 8.4617 122.7500 55.9890 30.9158 177.6602 26 G 4.6830 7.1817 105.3423 46.1061 0.0000 174.7234 27 E 4.6974 7.6705 135.0000 56.5807 30.1141 176.9787 28 K 4.7871 8.2454 131.4659 56.1894 31.1220 178.8534 29 R 4.3499 8.4543 125.8975 57.2205 32.9557 173.1391 30 L 4.0305 8.1723 120.3275 55.7009 42.0693 175.7649 31 I 4.7542 8.1931 125.9827 58.9219 41.8641 173.8711 32 K 4.9522 8.4509 126.0113 55.1035 35.2970 175.1581 33 T 4.7559 8.1068 116.8320 60.9009 71.5543 173.3524 34 W 4.8223 9.2409 123.2415 56.6821 30.2032 177.6135 35 S 4.7407 7.6944 114.0936 57.2417 60.9774 173.8713 36 R 4.4993 7.9008 115.6728 56.8866 30.0043 177.9935 37 R 4.4790 7.9767 115.4709 56.8898 31.1629 176.2347 38 S 4.6608 7.8578 113.5080 57.4872 65.6888 172.9657 39 T 4.6895 7.5271 116.4188 62.0551 69.9071 175.1142 40 I 3.8112 8.0461 126.4985 61.2903 37.4623 176.3011 41 V 3.7861 8.2686 127.5510 61.3808 32.3142 173.9751 42 P 4.2737 0.0000 0.0000 63.9558 32.1439 175.9615 43 E 4.0869 8.9041 120.1918 56.9519 29.3983 176.0977 44 M 4.4378 7.6015 115.0949 55.8582 31.7378 176.3717 45 V 3.8264 7.1758 113.3701 62.9965 32.0738 175.4533 46 G 3.9726 8.4022 112.4573 43.7395 0.0000 173.6019 47 H 4.4005 7.2865 116.6470 54.7050 27.0098 173.6833 48 T 3.7331 8.0457 114.3854 61.7166 69.8569 173.3804 49 I 4.5165 7.5518 128.6376 59.0364 38.5804 175.5752 50 A 4.8414 8.5432 130.6644 51.4365 19.3431 176.2171 51 V 4.5966 8.3885 122.2758 61.1825 34.8745 173.6839 52 Y 4.9434 8.3435 128.2227 55.9218 39.4555 174.7985 53 N 4.8305 7.9073 120.8393 51.8419 38.5618 173.9520 54 G 4.0451 7.2497 108.9322 45.9008 0.0000 174.2202 55 K 4.2129 6.9676 118.4788 56.8467 33.9812 176.8635 56 Q 4.5008 6.8009 115.4498 55.4173 32.5415 172.1013 57 H 5.0929 8.7745 117.4147 54.6595 30.1664 175.3074 58 V 3.9233 8.3869 119.2568 59.3403 32.1950 176.1922 59 P 5.0563 0.0000 0.0000 62.2622 29.2969 177.4020 60 V 3.8321 7.6827 119.7271 63.1366 32.9129 176.1827 61 Y 4.5576 8.6097 124.0743 57.2600 40.9038 173.5339 62 I 4.4139 6.7809 122.3458 59.4355 41.5855 174.1224 63 T 4.8605 8.1958 122.1931 59.6499 70.8580 173.8650 64 E 4.0227 8.7742 120.6607 59.1166 29.7349 177.8531 65 N 4.3276 8.4147 116.6201 55.8270 38.6299 174.5793 66 M 4.6427 7.7375 115.3944 53.6602 31.4100 174.4137 67 V 4.2218 7.7157 123.1683 63.6548 34.3446 176.8068 68 G 3.7298 8.0059 112.6322 48.0223 0.0000 173.1284 69 H 4.6468 7.7674 117.3388 55.2523 29.2616 175.1861 70 K 5.3087 8.3001 120.4679 55.0677 33.0798 177.7038 71 L 4.5871 8.5449 117.8640 55.8145 41.4948 178.3517 72 G 3.9177 7.7127 107.9421 47.4435 0.0000 175.7384 73 E 3.9499 8.3026 119.3663 59.6149 29.4579 178.9876 74 F 4.2394 8.0460 113.9161 57.3530 38.6935 175.3374 75 A 4.4796 7.9293 124.4901 49.6817 20.8062 175.3171 76 P 4.3500 0.0000 0.0000 63.6203 31.9650 176.5477 77 T 4.1140 8.6041 113.3994 63.3392 69.6535 175.2062 78 R 4.5976 7.6156 119.0754 54.3974 32.1085 175.6919 79 T 4.3208 8.1925 117.1191 64.0038 70.3018 173.7974 80 Y 3.4926 8.5265 122.2658 58.3314 35.6635 168.5832 81 R 4.0447 7.3689 118.5245 55.7041 31.7361 177.6679 *82 G 3.7274 8.3951 107.0302 46.0458 0.0000 172.9000 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 4.28 0.00 3.87 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 5 L 8.54 3.87 0.00 1.94 2.03 1.07 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 6 K 9.21 4.69 0.00 1.82 1.87 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.41 7.81 7 K 8.39 4.15 0.00 1.77 1.92 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.50 7.81 8 G 7.84 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.14 4.25 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 0.90 0.00 0.00 0.92 0.00 0.00 10 F 8.40 3.86 0.00 3.29 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 11 V 7.21 3.62 1.87 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 0.60 0.00 0.00 0.86 0.00 0.00 12 D 8.62 4.37 0.00 2.62 2.32 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 13 D 8.67 4.80 0.00 2.70 2.66 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 0.00 0.00 0.00 0.00 14 H 7.85 4.91 0.00 3.26 3.39 0.00 5.50 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.49 4.44 0.00 1.82 1.68 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.64 3.94 0.00 1.70 1.68 0.89 0.83 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 17 E 7.89 4.01 0.00 2.12 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 0.00 2.31 2.32 0.00 18 K 7.86 4.21 0.00 1.90 1.80 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.53 7.81 19 V 7.76 4.12 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 0.81 0.00 0.00 0.93 0.00 0.00 20 L 8.34 4.05 0.00 1.82 1.67 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.52 4.27 0.00 2.16 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 0.00 2.41 2.26 0.00 22 L 7.26 4.39 0.00 1.84 1.56 0.94 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.64 4.51 0.00 2.69 2.95 0.00 0.00 7.10 8.05 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 24 A 7.45 4.18 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 25 K 8.46 4.40 0.00 2.09 2.08 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.41 7.81 26 G 7.18 4.68 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 0.00 0.00 0.00 27 E 7.67 4.70 0.00 1.96 1.69 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 2.31 2.39 0.00 28 K 8.25 4.79 0.00 1.75 1.04 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.38 7.81 29 R 8.45 4.35 0.00 1.91 2.00 0.00 3.11 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 30 L 8.17 4.03 0.00 1.68 1.69 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.19 4.75 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.31 0.94 0.00 0.00 32 K 8.45 4.95 0.00 1.49 1.17 0.00 1.47 0.00 0.00 1.51 0.00 0.00 2.68 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.14 1.29 7.81 33 T 8.11 4.76 4.31 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 1.28 0.00 0.00 34 W 9.24 4.82 0.00 3.36 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 7.69 4.74 0.00 3.99 4.02 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 0.00 0.00 0.00 36 R 7.90 4.50 0.00 2.08 2.14 0.00 3.40 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 37 R 7.98 4.48 0.00 2.08 2.19 0.00 3.28 0.00 0.00 3.49 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 38 S 7.86 4.66 0.00 3.77 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 39 T 7.53 4.69 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 1.25 0.00 0.00 40 I 8.05 3.81 2.09 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.69 0.87 0.00 0.00 41 V 8.27 3.79 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 0.75 0.00 0.00 0.90 0.00 0.00 42 P 0.00 4.27 0.00 2.19 1.95 0.00 3.63 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 2.09 2.06 0.00 43 E 8.90 4.09 0.00 2.13 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 0.00 2.23 2.29 0.00 44 M 7.60 4.44 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 45 V 7.18 3.83 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 0.59 0.00 0.00 0.89 0.00 0.00 46 G 8.40 3.97 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 0.00 0.00 0.00 47 H 7.29 4.40 0.00 3.28 3.18 0.00 5.67 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 8.05 3.73 4.22 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 0.00 0.00 1.13 0.00 0.00 49 I 7.55 4.52 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.58 0.88 0.00 0.00 50 A 8.54 4.84 1.22 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 0.00 0.00 0.00 0.00 0.00 51 V 8.39 4.60 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 1.10 0.00 0.00 0.98 0.00 0.00 52 Y 8.34 4.94 0.00 2.25 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 53 N 7.91 4.83 0.00 2.78 2.74 0.00 0.00 6.30 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 7.25 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 55 K 6.97 4.21 0.00 1.58 1.57 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.40 7.81 56 Q 6.80 4.50 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.64 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 57 H 8.77 5.09 0.00 3.04 3.22 0.00 5.70 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.39 3.92 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 0.83 0.00 0.00 0.96 0.00 0.00 59 P 0.00 5.06 0.00 2.09 2.13 0.00 3.78 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 60 V 7.68 3.83 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 0.80 0.00 0.00 0.99 0.00 0.00 61 Y 8.61 4.56 0.00 3.09 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 62 I 6.78 4.41 1.61 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.98 0.68 0.00 0.00 63 T 8.20 4.86 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 1.34 0.00 0.00 64 E 8.77 4.02 0.00 2.11 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 2.29 2.35 0.00 65 N 8.41 4.33 0.00 2.75 3.01 0.00 0.00 6.81 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 7.74 4.64 0.00 2.18 1.82 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.62 0.00 67 V 7.72 4.22 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 1.04 0.00 0.00 0.97 0.00 0.00 68 G 8.01 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 69 H 7.77 4.65 0.00 3.76 3.34 0.00 5.61 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.30 5.31 0.00 1.97 2.01 0.00 2.40 0.00 0.00 2.01 0.00 0.00 3.34 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.65 1.53 7.81 71 L 8.54 4.59 0.00 1.87 1.77 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.71 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 73 E 8.30 3.95 0.00 1.42 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 2.30 2.30 0.00 74 F 8.05 4.24 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 75 A 7.93 4.48 1.22 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 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.35 0.00 2.17 2.06 0.00 3.75 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 1.96 1.94 0.00 77 T 8.60 4.11 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 1.25 0.00 0.00 78 R 7.62 4.60 0.00 1.82 1.90 0.00 3.20 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 79 T 8.19 4.32 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 1.25 0.00 0.00 80 Y 8.53 3.49 0.00 3.01 3.15 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 81 R 7.37 4.04 0.00 1.78 1.79 0.00 3.44 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 *82 G 8.40 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.