NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.1239 8.3344 116.7912 57.8804 64.4562 170.6787 5 L 3.3039 8.1589 128.6954 53.0854 39.7596 171.7515 6 K 4.5444 9.2979 125.7335 56.5320 35.4825 176.9112 7 K 4.2701 7.7779 120.1282 52.6206 30.6407 174.4678 8 G 4.2069 8.0442 109.1273 44.2174 0.0000 171.9110 9 V 4.2925 8.6845 122.2575 67.3783 32.0492 177.7704 10 F 3.9433 7.5345 110.5817 57.6874 36.8669 175.7034 11 V 3.7815 7.9906 122.5096 61.4451 32.4681 176.1327 12 D 4.3748 8.5754 124.7048 54.8620 42.2259 177.3791 13 D 4.3884 8.6111 123.9716 57.4851 40.9859 178.4292 14 H 4.2237 8.2249 113.9274 58.1686 28.4051 176.2160 15 L 4.3607 7.5376 120.7793 56.8972 42.4099 178.0860 16 L 3.8871 7.2626 117.7768 58.4198 41.7308 178.7859 17 E 3.8319 8.6006 118.8155 59.8428 29.3293 178.8624 18 K 3.8754 7.9142 118.3157 59.4829 32.3220 178.6633 19 V 3.3698 8.1106 118.8573 66.4014 31.2619 177.9742 20 L 4.0871 8.3115 118.4546 57.3669 41.3440 179.1496 21 E 3.9705 7.7666 117.6194 59.3806 29.7031 179.0119 22 L 4.1303 8.2261 119.3421 57.6766 41.7501 178.8357 23 N 4.5043 7.9059 116.9157 55.7768 38.9742 173.9833 24 A 4.0015 7.6673 123.8092 53.8593 16.9242 177.0458 25 K 3.9474 8.5384 119.3205 55.6853 29.5524 177.1438 26 G 3.8358 7.3352 103.9441 46.4386 0.0000 172.2939 27 E 4.9991 8.1583 126.9096 54.0744 32.9656 177.7891 28 K 4.4366 8.3881 116.9563 56.8276 31.0095 177.6097 29 R 4.5872 8.3869 115.1943 57.3280 33.3922 174.7405 30 L 4.0007 7.8987 121.5033 55.5506 40.5165 174.3147 31 I 4.4379 7.6172 121.8685 58.3742 40.3378 174.2067 32 K 4.3155 8.5485 128.4426 56.1864 33.2369 175.5057 33 T 4.2132 6.6250 114.3296 61.9223 69.9932 172.3226 34 W 5.1771 8.9818 121.1456 56.6296 31.3939 176.2294 35 S 4.9396 8.7022 113.2900 57.7401 62.4860 175.5721 36 R 4.1773 8.0093 116.4367 58.7419 29.6685 177.7019 37 R 4.4324 7.9693 114.7079 56.3819 30.2682 175.5348 38 S 4.7854 8.0749 114.5440 57.3693 66.2339 173.1270 39 T 4.6487 7.5572 116.3249 62.0914 70.3720 174.6013 40 I 4.0603 7.5011 123.2626 60.6378 38.2020 176.1967 41 V 3.9178 8.1319 126.3662 60.8469 32.4549 173.4139 42 P 4.2352 0.0000 0.0000 64.3524 31.0605 176.3780 43 E 3.8373 8.9762 120.9314 56.9125 28.7964 175.4927 44 M 4.6366 7.8413 117.9252 56.0806 31.4885 177.0754 45 V 3.7848 9.0300 112.4701 61.4872 32.6544 178.7630 46 G 4.0063 7.4939 108.9882 47.1166 0.0000 174.9600 47 H 4.4361 7.8734 118.3253 54.7284 26.7062 173.4203 48 T 4.1998 7.5008 109.3594 61.5159 69.2247 175.1044 49 I 4.3069 8.2745 127.1347 60.2749 39.7139 174.9786 50 A 5.5976 8.3716 126.8745 49.3447 18.6931 176.6864 51 V 3.7460 7.9971 120.9200 63.1469 33.6970 173.7132 52 Y 5.0052 8.2901 125.6169 55.8375 39.6756 175.2076 53 N 4.3879 8.2177 124.5520 53.7788 38.0047 175.5308 54 G 3.2662 6.1509 107.7495 44.8728 0.0000 172.8848 55 K 4.2775 6.9033 118.4138 56.4151 35.2994 175.3360 56 Q 4.8472 8.0440 113.8242 54.2021 32.7937 173.5228 57 H 4.9501 8.7286 116.6333 56.0624 29.9404 175.3507 58 V 4.3171 9.1362 117.2684 58.3491 33.2785 175.2260 59 P 5.1766 0.0000 0.0000 62.6470 28.3493 176.6695 60 V 3.9240 7.8673 122.4328 61.9644 33.1193 177.4434 61 Y 4.5679 8.5570 130.5222 57.8141 38.5990 174.8076 62 I 3.8892 6.8507 117.0297 60.8707 40.3337 173.0756 63 T 4.8655 7.4388 121.2235 60.3120 70.8528 173.6018 64 E 3.9830 8.9709 119.4953 59.6482 29.5006 177.8371 65 N 4.3611 8.3622 116.2867 55.2878 38.6128 174.9162 66 M 4.6935 7.4770 115.1762 53.5486 30.2163 174.5626 67 V 4.1591 8.0044 124.0700 65.0445 33.7915 178.0447 68 G 3.3374 8.0149 106.1639 48.0622 0.0000 173.5578 69 H 4.5955 7.5392 117.9775 55.4868 28.0227 175.6028 70 K 4.5602 8.7824 122.8126 56.0468 32.9911 178.0941 71 L 4.5220 8.4916 119.1848 57.5123 41.3194 180.0089 72 G 3.7379 8.2441 106.1331 47.6777 0.0000 175.1193 73 E 4.2216 7.6237 117.7615 57.5738 29.4747 177.3695 74 F 4.5784 8.1347 115.9823 56.7075 40.2647 175.3372 75 A 4.4603 8.2908 124.7070 48.7904 19.1407 173.2182 76 P 4.1712 0.0000 0.0000 63.9520 31.1913 177.7863 77 T 4.2158 8.3519 112.2561 61.8105 69.1839 173.9572 78 R 4.7421 7.3348 119.9963 54.8487 34.0344 174.2830 79 T 4.5254 8.4063 115.1559 63.4262 70.8951 173.4418 80 Y 3.6719 8.7203 125.2380 58.2699 35.7327 167.7729 81 R 4.1729 7.3082 121.6007 54.1507 32.9693 177.1024 *82 G 3.7274 8.4082 106.6997 46.3016 0.0000 172.7769 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 4.12 0.00 3.88 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 5 L 8.16 3.30 0.00 1.71 1.56 1.08 0.33 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 9.30 4.54 0.00 1.88 1.89 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.37 7.81 7 K 7.78 4.27 0.00 1.76 1.83 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.49 7.81 8 G 8.04 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 0.00 0.00 0.00 0.00 9 V 8.68 4.29 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 0.88 0.00 0.00 0.94 0.00 0.00 10 F 7.53 3.94 0.00 3.30 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 7.99 3.78 1.90 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 0.65 0.00 0.00 0.84 0.00 0.00 12 D 8.58 4.37 0.00 2.61 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 0.00 0.00 0.00 0.00 13 D 8.61 4.39 0.00 2.80 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.22 0.00 3.34 3.45 0.00 5.51 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.54 4.36 0.00 1.74 1.67 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.26 3.89 0.00 1.95 1.72 0.87 0.74 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 8.60 3.83 0.00 1.99 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 0.00 2.44 2.34 0.00 18 K 7.91 3.88 0.00 1.90 1.90 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.53 7.81 19 V 8.11 3.37 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 0.84 0.00 0.00 0.87 0.00 0.00 20 L 8.31 4.09 0.00 1.68 1.67 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.77 3.97 0.00 2.08 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 2.34 2.52 0.00 22 L 8.23 4.13 0.00 1.84 1.80 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.91 4.50 0.00 2.78 3.06 0.00 0.00 7.09 9.09 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 7.67 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.54 3.95 0.00 1.96 2.27 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.33 7.81 26 G 7.34 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 0.00 0.00 0.00 27 E 8.16 5.00 0.00 1.96 1.91 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 2.24 2.28 0.00 28 K 8.39 4.44 0.00 1.75 1.68 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.40 7.81 29 R 8.39 4.59 0.00 2.02 1.96 0.00 3.11 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 30 L 7.90 4.00 0.00 1.63 1.68 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.62 4.44 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.56 1.02 0.00 0.00 32 K 8.55 4.32 0.00 1.63 1.28 0.00 1.92 0.00 0.00 1.67 0.00 0.00 2.72 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.17 1.31 7.81 33 T 6.62 4.21 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 1.12 0.00 0.00 34 W 8.98 5.18 0.00 3.36 3.02 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 35 S 8.70 4.94 0.00 4.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 4.18 0.00 2.17 2.30 0.00 3.28 0.00 0.00 3.49 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.72 0.00 37 R 7.97 4.43 0.00 2.07 2.18 0.00 3.29 0.00 0.00 3.40 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 38 S 8.07 4.79 0.00 3.77 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 39 T 7.56 4.65 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 40 I 7.50 4.06 2.14 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.51 0.87 0.00 0.00 41 V 8.13 3.92 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 1.02 0.00 0.00 0.84 0.00 0.00 42 P 0.00 4.24 0.00 2.05 1.98 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 43 E 8.98 3.84 0.00 2.12 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 2.23 2.24 0.00 44 M 7.84 4.64 0.00 1.96 2.22 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 2.55 2.48 0.00 45 V 9.03 3.78 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 0.64 0.00 0.00 0.87 0.00 0.00 46 G 7.49 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 47 H 7.87 4.44 0.00 3.20 3.14 0.00 5.67 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 7.50 4.20 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 1.34 0.00 0.00 49 I 8.27 4.31 1.79 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 1.18 0.60 0.92 0.00 0.00 50 A 8.37 5.60 1.11 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 0.00 0.00 51 V 8.00 3.75 2.10 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 0.96 0.00 0.00 0.93 0.00 0.00 52 Y 8.29 5.01 0.00 2.66 2.76 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 53 N 8.22 4.39 0.00 3.11 2.96 0.00 0.00 6.58 7.25 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 54 G 6.15 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 0.00 0.00 0.00 55 K 6.90 4.28 0.00 1.56 1.55 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.35 7.81 56 Q 8.04 4.85 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.78 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 57 H 8.73 4.95 0.00 3.04 3.15 0.00 5.67 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 9.14 4.32 2.10 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 0.87 0.00 0.00 1.03 0.00 0.00 59 P 0.00 5.18 0.00 2.10 2.12 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 2.01 1.98 0.00 60 V 7.87 3.92 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 0.75 0.00 0.00 0.90 0.00 0.00 61 Y 8.56 4.57 0.00 2.88 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 62 I 6.85 3.89 1.59 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.62 0.52 0.00 0.00 63 T 7.44 4.87 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 64 E 8.97 3.98 0.00 2.12 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 0.00 2.31 2.37 0.00 65 N 8.36 4.36 0.00 2.79 3.02 0.00 0.00 6.79 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 7.48 4.69 0.00 2.37 2.02 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 67 V 8.00 4.16 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 0.97 0.00 0.00 0.98 0.00 0.00 68 G 8.01 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 0.00 0.00 0.00 69 H 7.54 4.60 0.00 3.43 3.54 0.00 5.62 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 8.78 4.56 0.00 1.97 2.04 0.00 2.10 0.00 0.00 1.75 0.00 0.00 3.29 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.83 1.76 7.81 71 L 8.49 4.52 0.00 1.76 1.74 0.88 0.76 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 72 G 8.24 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.62 4.22 0.00 2.39 1.82 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 2.36 2.45 0.00 74 F 8.13 4.58 0.00 3.14 3.06 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 0.00 0.00 0.00 0.00 75 A 8.29 4.46 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 4.17 0.00 2.20 2.21 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 77 T 8.35 4.22 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 1.34 0.00 0.00 78 R 7.33 4.74 0.00 1.84 1.84 0.00 3.12 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 79 T 8.41 4.53 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 1.26 0.00 0.00 80 Y 8.72 3.67 0.00 2.98 3.22 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 81 R 7.31 4.17 0.00 1.75 1.78 0.00 3.43 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 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.