NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.7308 8.3431 109.7389 45.3797 0.0000 172.3378 *5 G 3.7762 8.0410 105.1758 44.4226 0.0000 173.4927 6 T 3.9313 8.2578 115.4272 66.7002 68.3605 176.8065 7 L 4.0409 7.8505 120.3212 58.2155 41.7858 179.6225 8 T 4.0681 7.9040 109.0224 64.5407 68.9048 176.7451 9 R 3.9166 8.4518 121.6876 59.2062 29.9952 178.2633 10 Y 3.9304 7.8931 119.2757 60.6821 38.6311 177.8965 11 L 4.0436 7.9233 118.4737 57.9411 41.8504 178.8554 12 E 4.0566 8.2100 118.0101 59.2939 29.6482 178.1962 13 E 4.0313 7.9978 117.8823 58.9859 30.0210 178.9906 14 A 3.7495 7.7661 117.4133 53.1290 18.1757 178.7476 *16 A 4.2177 7.9194 124.6359 53.3952 20.3618 178.7622 17 R 4.2493 7.5449 111.3038 56.3069 30.5757 176.6491 18 A 4.2344 7.6610 120.5110 51.9439 19.3568 177.2686 19 R 4.6499 8.7487 119.9613 54.5229 33.8073 174.3883 20 Y 5.3857 8.7499 119.6293 56.4683 41.4629 174.8964 21 E 4.8626 9.3663 120.1924 54.8314 34.5233 174.5684 22 L 4.6710 8.6662 124.1678 54.2845 42.3646 176.1948 23 I 4.5164 8.9623 117.2060 59.0273 41.4282 175.0264 24 A 4.6497 8.2405 126.2704 50.9425 18.1046 175.5665 25 D 4.5368 8.0086 118.6731 53.6767 44.2547 175.2420 26 E 4.0608 9.0247 120.5350 58.9024 29.1216 177.2560 27 E 4.5958 7.9700 119.9668 53.4615 29.3832 173.6489 28 P 4.6722 0.0000 0.0000 63.5279 32.8902 175.1981 29 Y 5.1171 8.1044 119.7246 56.7385 39.9322 173.8937 30 Y 5.2809 9.3804 126.1830 55.8579 41.7293 174.5943 31 G 4.1501 8.7524 112.6127 44.4670 0.0000 171.0613 32 E 4.9772 8.3227 118.6183 54.9122 33.9060 174.2834 33 I 4.4264 8.0760 122.2635 59.0850 37.9492 174.8939 34 P 4.2427 0.0000 0.0000 65.4947 31.3892 178.1490 35 D 4.4438 8.0002 116.4884 56.0621 41.0417 176.1910 36 L 4.4857 7.6447 119.6181 50.9880 42.0080 172.5592 37 P 4.3429 0.0000 0.0000 64.8017 31.2190 177.3398 38 G 4.0438 9.2494 112.0249 44.9395 0.0000 173.3274 39 V 3.7629 7.6520 120.6393 61.3520 30.2948 174.5340 40 W 5.2656 7.6768 122.2717 55.3819 31.2278 173.1734 41 A 4.5674 8.4282 119.4943 51.5981 22.5459 175.0569 42 T 5.2605 8.3833 108.5025 60.8120 72.7198 172.8270 43 G 4.2510 9.0857 108.4167 45.7650 0.0000 174.2658 44 K 4.4881 9.2502 119.2880 57.7693 32.6020 178.1451 45 S 4.5759 7.5864 112.8075 55.2099 67.4244 174.3510 46 L 3.3035 7.1452 123.7162 58.0163 41.7050 179.2027 47 K 3.7598 7.6081 118.9528 59.3613 32.1284 178.2774 48 E 3.8857 8.2160 119.6871 59.2568 29.5437 178.1316 49 C 4.0779 8.2474 119.0342 62.5576 31.5429 175.0566 50 E 4.0739 8.2923 120.5715 59.3985 29.1780 178.5845 51 A 3.9805 8.0593 120.5719 55.4740 18.4521 179.4523 52 N 4.3303 8.4778 115.1467 56.1511 38.4612 177.5449 53 L 3.8908 8.3191 122.4578 58.0583 42.1133 178.8079 54 Q 3.9026 8.4447 119.6399 58.9811 29.0293 177.6942 55 A 3.9730 8.0015 121.7055 55.4243 18.3469 179.5787 56 A 3.8984 7.9601 118.9863 55.0040 18.4193 179.4118 57 L 3.8851 8.1010 119.1248 58.6176 42.0717 179.2317 58 E 4.1475 8.5335 118.5550 59.5598 29.3933 179.1215 59 D 4.4258 8.2220 119.0145 56.9708 40.9830 178.6725 60 W 4.1152 8.5581 129.0460 60.3535 30.6937 177.8723 61 L 3.9308 8.9205 120.8346 58.0041 41.5135 178.2627 62 L 3.8839 8.2669 120.8115 58.3905 41.7685 178.4995 63 F 4.0384 8.1767 120.0746 61.4523 39.2535 176.9643 64 L 3.6242 7.5085 117.6172 57.7698 41.4000 179.5731 65 L 3.9991 7.8702 119.1010 57.8723 41.3501 179.8741 66 S 4.1539 8.0208 113.0573 60.7917 62.9681 175.7084 67 R 4.1858 7.0723 119.7067 55.3170 29.9972 176.5170 68 G 3.7782 8.0244 107.2035 46.4705 0.0000 173.5036 69 E 4.6234 7.8676 118.0704 54.2054 31.8135 175.7597 70 T 4.3898 8.0019 111.6496 59.4249 70.5592 173.0031 71 P 4.6030 0.0000 0.0000 61.2552 32.4869 174.1474 72 P 4.4499 0.0000 0.0000 62.1092 31.7534 174.9550 73 P 4.7177 0.0000 0.0000 62.9946 32.0790 176.5376 74 L 4.5333 9.0544 121.9083 53.4409 42.3110 177.9691 75 G 3.7993 7.9349 116.7944 46.8767 0.0000 172.4028 76 E 4.2677 8.8784 122.9645 55.9571 30.0667 176.0125 77 V 4.0822 7.8212 121.6019 62.2016 31.7492 175.0404 78 R 5.1119 8.4512 125.0603 54.4899 34.0062 174.6280 79 I 4.3728 8.2265 120.2047 59.6946 38.8294 175.0812 80 E 4.5999 8.5578 125.0042 54.4147 31.2939 175.5272 81 L 4.3479 8.2151 123.0297 52.9279 42.6428 175.1525 82 P 4.1818 0.0000 0.0000 64.1040 31.9775 176.1244 83 H 4.3525 8.6326 118.2447 56.4777 28.8814 174.5612 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 3 G 8.34 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 *5 G 8.04 3.78 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 0.00 0.00 0.00 6 T 8.26 3.93 4.25 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 1.22 0.00 0.00 7 L 7.85 4.04 0.00 1.72 1.76 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.90 4.07 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 9 R 8.45 3.92 0.00 1.99 2.07 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 10 Y 7.89 3.93 0.00 3.17 3.14 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 11 L 7.92 4.04 0.00 1.87 1.79 0.99 0.86 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 12 E 8.21 4.06 0.00 2.01 2.21 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 2.31 2.32 0.00 13 E 8.00 4.03 0.00 1.91 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 2.21 0.00 14 A 7.77 3.75 1.21 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 *16 A 7.92 4.22 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.54 4.25 0.00 1.88 1.90 0.00 3.05 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 18 A 7.66 4.23 1.04 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 0.00 0.00 0.00 0.00 0.00 19 R 8.75 4.65 0.00 1.57 1.75 0.00 3.26 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 20 Y 8.75 5.39 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 9.37 4.86 0.00 2.07 1.83 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 2.32 2.48 0.00 22 L 8.67 4.67 0.00 1.48 1.50 0.91 0.29 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 23 I 8.96 4.52 1.80 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.97 0.79 0.00 0.00 24 A 8.24 4.65 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 25 D 8.01 4.54 0.00 2.57 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.02 4.06 0.00 2.14 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 0.00 2.32 2.41 0.00 27 E 7.97 4.60 0.00 2.05 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 2.27 2.32 0.00 28 P 0.00 4.67 0.00 1.74 2.18 0.00 4.08 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.80 0.00 29 Y 8.10 5.12 0.00 3.16 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 30 Y 9.38 5.28 0.00 3.10 2.96 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 31 G 8.75 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 0.00 0.00 0.00 32 E 8.32 4.98 0.00 1.97 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 2.12 2.19 0.00 33 I 8.08 4.43 1.65 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 1.23 0.80 0.80 0.00 0.00 34 P 0.00 4.24 0.00 2.00 2.09 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 35 D 8.00 4.44 0.00 2.60 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.64 4.49 0.00 1.15 0.40 0.67 0.79 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 37 P 0.00 4.34 0.00 2.30 2.18 0.00 3.85 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.12 0.00 38 G 9.25 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.65 3.76 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 0.75 0.00 0.00 -0.19 0.00 0.00 40 W 7.68 5.27 0.00 3.22 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 41 A 8.43 4.57 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 42 T 8.38 5.26 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 1.62 0.00 0.00 43 G 9.09 4.25 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 0.00 44 K 9.25 4.49 0.00 1.82 1.95 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.72 7.81 45 S 7.59 4.58 0.00 3.81 3.85 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 46 L 7.15 3.30 0.00 0.96 1.26 0.41 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.61 3.76 0.00 1.73 1.67 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.42 7.81 48 E 8.22 3.89 0.00 2.05 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 0.00 2.32 2.31 0.00 49 C 8.25 4.08 0.00 3.23 3.13 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 0.00 0.00 0.00 50 E 8.29 4.07 0.00 2.01 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 2.36 2.48 0.00 51 A 8.06 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.48 4.33 0.00 2.88 2.86 0.00 0.00 6.71 7.60 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 53 L 8.32 3.89 0.00 1.82 1.88 0.78 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.44 3.90 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 55 A 8.00 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.96 3.90 1.27 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 57 L 8.10 3.89 0.00 1.79 1.97 0.93 1.26 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 58 E 8.53 4.15 0.00 2.09 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 2.40 2.65 0.00 59 D 8.22 4.43 0.00 2.77 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 60 W 8.56 4.12 0.00 3.43 3.41 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 61 L 8.92 3.93 0.00 2.23 1.98 0.85 0.56 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 62 L 8.27 3.88 0.00 1.92 1.96 0.92 0.87 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 63 F 8.18 4.04 0.00 3.18 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 64 L 7.51 3.62 0.00 1.58 1.41 0.23 -0.31 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 65 L 7.87 4.00 0.00 1.59 1.64 0.87 0.78 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 66 S 8.02 4.15 0.00 3.91 3.99 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 0.00 0.00 0.00 67 R 7.07 4.19 0.00 1.54 1.74 0.00 2.96 0.00 0.00 2.73 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.02 0.00 68 G 8.02 3.78 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 0.00 0.00 0.00 69 E 7.87 4.62 0.00 1.91 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 0.00 2.11 2.22 0.00 70 T 8.00 4.39 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 1.21 0.00 0.00 71 P 0.00 4.60 0.00 2.32 2.07 0.00 3.61 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.33 0.00 72 P 0.00 4.45 0.00 2.25 2.17 0.00 4.20 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 73 P 0.00 4.72 0.00 2.24 2.13 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 74 L 9.05 4.53 0.00 1.46 1.48 0.15 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 75 G 7.93 3.80 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 0.00 0.00 0.00 76 E 8.88 4.27 0.00 2.10 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 2.25 2.30 0.00 77 V 7.82 4.08 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 1.02 0.00 0.00 0.93 0.00 0.00 78 R 8.45 5.11 0.00 1.84 1.81 0.00 3.25 0.00 0.00 3.42 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 79 I 8.23 4.37 1.58 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 1.34 0.28 0.80 0.00 0.00 80 E 8.56 4.60 0.00 1.92 1.84 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 2.23 2.25 0.00 81 L 8.22 4.35 0.00 1.60 1.57 0.86 0.98 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 82 P 0.00 4.18 0.00 2.05 1.96 0.00 3.81 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 83 H 8.63 4.35 0.00 3.22 3.24 0.00 5.93 0.00 0.00 0.00 0.00 6.91 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.