NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3164 8.2644 123.5810 52.4249 19.7827 175.9099 2 S 4.2544 8.2641 110.2680 56.6835 64.1087 172.3168 3 A 3.6770 8.3481 127.4472 50.8434 16.6541 178.1854 4 A 5.6649 7.7669 135.0000 51.7525 22.0637 177.7587 5 K 4.0741 8.0787 116.0697 56.0349 30.3339 177.9554 6 G 4.2732 9.5276 123.3277 47.4971 0.0000 176.6177 7 D 3.4347 7.7008 112.7991 52.2589 43.9267 177.0864 8 H 4.0584 9.4837 118.2636 57.0468 28.4815 176.6673 9 G 3.7918 8.4239 107.4496 47.3506 0.0000 173.4634 10 G 3.7151 7.0797 103.7608 45.8772 0.0000 171.2310 *12 G 3.8258 7.7304 107.6193 45.0979 0.0000 173.0955 13 A 4.1430 8.6685 119.4359 55.4539 18.1271 179.7933 14 R 3.9431 8.0700 116.5437 59.7994 30.0940 178.8002 15 T 3.8613 7.8681 115.0296 66.5674 68.5838 176.6961 16 W 4.0197 8.0643 120.0968 59.2354 28.9799 178.4550 17 R 3.9350 8.0839 118.6802 58.8306 29.4786 178.0484 18 F 4.2157 8.1457 120.6946 61.3784 39.3190 177.1513 19 L 4.0346 8.2538 118.8778 57.8554 41.3960 179.4881 20 T 3.7785 8.0607 115.9008 66.3816 68.1116 176.2562 21 F 4.8603 7.9996 117.9741 59.0330 39.5939 177.7574 22 G 4.1022 8.5663 103.9943 45.7362 0.0000 173.3111 23 L 4.5600 7.7411 120.6398 55.7980 44.7524 177.7098 24 A 4.0197 8.5595 120.0053 55.3896 18.3900 179.6625 25 L 3.9807 8.0852 117.1599 57.6233 41.7106 178.0767 26 P 4.3324 0.0000 0.0000 65.6313 31.2157 178.8538 27 S 4.1166 8.0197 113.8658 61.4509 62.8676 176.7120 28 V 3.6526 7.7171 120.0901 65.2272 31.1942 178.1017 29 A 3.9368 7.9660 120.9566 55.2025 18.3050 179.4610 30 L 3.9425 8.0570 117.4750 58.3082 41.8318 179.7255 31 C 4.2484 8.1501 116.1874 62.4844 27.9890 176.3480 32 T 3.5121 7.5409 117.5338 66.0504 67.8655 176.3983 33 L 3.9281 8.0020 121.4849 58.2412 42.4969 178.0654 34 N 4.3106 8.3896 117.0497 56.8937 38.3499 176.7927 35 S 4.0078 7.6195 115.8873 61.0885 63.8305 175.6767 36 W 5.3121 7.7223 120.6694 55.0786 26.0047 174.7787 37 L 4.7516 7.5218 122.7908 56.9895 49.8100 175.4367 38 H 4.8750 8.1491 112.4914 56.1203 29.9593 177.0288 39 S 4.7405 7.5476 118.1039 56.0192 62.0900 173.9855 40 G 3.7900 9.1713 114.2837 44.4972 0.0000 172.3837 41 H 4.2688 8.6666 121.0470 56.1289 28.9102 175.2912 42 R 4.1312 8.4763 124.3352 54.9635 30.7767 175.4482 43 E 3.8498 8.9184 123.4272 56.1250 29.4583 176.7682 44 R 4.0306 8.5132 123.3438 55.6667 29.8117 174.9987 45 P 4.4859 0.0000 0.0000 61.9805 32.1983 175.8665 46 A 4.2055 8.4199 122.5301 52.2165 18.8391 177.6162 47 F 4.5891 8.9414 124.4968 58.4322 40.2090 175.0962 48 I 3.7920 6.8771 126.5284 59.4324 40.4124 175.2062 49 P 4.1820 0.0000 0.0000 61.4895 29.5919 176.8528 50 Y 4.2926 7.3889 116.0958 58.9999 38.5970 177.9830 51 H 4.4640 9.0457 120.4896 57.8127 29.2076 175.7801 52 H 4.6256 8.4154 113.3292 55.6715 29.0470 174.2738 53 L 4.6120 7.1416 118.6301 53.0876 44.5468 175.5997 54 R 3.7762 8.5495 115.5499 57.2522 27.5779 177.2694 55 I 3.8428 7.5180 116.3683 61.9959 37.9158 177.6146 56 R 4.2803 8.0466 122.7106 55.6813 31.5019 174.4207 57 T 4.2948 7.9363 112.5443 61.9285 70.2845 175.6453 58 K 4.3762 7.2980 121.5533 54.0422 35.1134 173.1896 59 P 4.1270 0.0000 0.0000 62.2430 31.9382 176.2428 60 F 3.8622 7.6018 119.7028 58.0701 39.1397 176.0908 61 S 4.6493 8.2758 118.2506 58.6168 62.8306 173.7794 62 W 5.2528 7.2403 118.1527 54.8208 31.9203 176.4426 63 G 3.7555 8.5974 107.8865 47.3778 0.0000 174.3541 64 D 4.5134 8.8854 123.5181 53.0571 40.0621 177.5128 65 G 3.7989 8.3874 108.6713 45.9742 0.0000 174.2695 66 N 4.9144 8.4485 115.7155 52.9117 40.5008 173.6310 67 H 4.9209 8.1609 114.6509 54.3637 30.9467 174.7616 68 T 3.5163 8.3757 113.5527 61.0978 69.5013 174.7211 69 F 3.3836 9.0375 125.0483 60.9517 39.1627 176.8203 70 F 4.8365 7.8128 117.2012 56.3954 39.4976 175.3579 71 H 3.9628 7.9318 120.1646 56.8889 30.2106 173.4646 72 N 4.8247 9.5414 125.6313 51.0301 39.8493 172.8541 73 P 4.3083 0.0000 0.0000 65.6576 31.7197 177.9017 74 R 4.0520 7.8600 117.0815 58.8341 29.8978 177.2686 75 V 4.5085 7.8440 106.4873 60.5543 33.6430 174.9493 76 N 4.7979 8.5881 118.2866 50.5969 38.3696 172.9418 77 P 4.0436 0.0000 0.0000 62.0273 32.3728 176.5581 78 L 4.3785 7.6413 120.2514 53.0389 42.9723 176.0945 79 P 4.3544 0.0000 0.0000 65.5527 31.1606 177.6629 80 T 4.4222 7.7572 106.1667 61.2259 69.0344 174.3790 81 G 2.0757 7.3187 108.5991 44.2543 0.0000 173.1014 82 Y 4.3100 7.4148 116.7530 58.3433 38.1917 175.8749 83 E 4.6409 8.3490 119.8562 54.2415 31.8763 176.7415 84 K 4.0621 8.6112 118.2563 57.2321 32.0789 177.1557 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 1 A 8.26 4.32 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 2 S 8.26 4.25 0.00 3.83 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 A 8.35 3.68 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 4 A 7.77 5.66 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 5 K 8.08 4.07 0.00 1.62 1.20 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.32 7.81 6 G 9.53 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 0.00 0.00 0.00 0.00 7 D 7.70 3.43 0.00 2.57 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 8 H 9.48 4.06 0.00 3.52 3.36 0.00 5.88 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.42 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 7.08 3.72 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 0.00 0.00 0.00 *12 G 7.73 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.67 4.14 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 14 R 8.07 3.94 0.00 1.94 2.00 0.00 3.22 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.77 0.00 15 T 7.87 3.86 4.19 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 0.00 0.00 0.76 0.00 0.00 16 W 8.06 4.02 0.00 3.46 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 17 R 8.08 3.94 0.00 2.07 2.15 0.00 3.20 0.00 0.00 3.31 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 18 F 8.15 4.22 0.00 3.35 3.01 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 19 L 8.25 4.03 0.00 1.68 1.63 -0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.06 3.78 3.68 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 0.88 0.00 0.00 21 F 8.00 4.86 0.00 3.07 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 22 G 8.57 4.10 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 0.00 0.00 0.00 23 L 7.74 4.56 0.00 1.67 1.69 0.92 1.28 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 24 A 8.56 4.02 1.34 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 25 L 8.09 3.98 0.00 1.93 1.84 1.17 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.33 0.00 2.19 2.14 0.00 3.71 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 27 S 8.02 4.12 0.00 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 0.00 28 V 7.72 3.65 2.22 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 0.98 0.00 0.00 1.00 0.00 0.00 29 A 7.97 3.94 1.35 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 0.00 0.00 30 L 8.06 3.94 0.00 1.67 1.71 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 31 C 8.15 4.25 0.00 2.98 2.85 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 32 T 7.54 3.51 4.32 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 1.06 0.00 0.00 33 L 8.00 3.93 0.00 1.73 1.90 0.93 1.08 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 34 N 8.39 4.31 0.00 2.67 2.73 0.00 0.00 7.33 6.92 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 35 S 7.62 4.01 0.00 3.56 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.72 5.31 0.00 3.32 2.97 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 37 L 7.52 4.75 0.00 1.88 1.88 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.15 4.87 0.00 3.21 3.36 0.00 5.91 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.55 4.74 0.00 4.10 3.29 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 0.00 40 G 9.17 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.67 4.27 0.00 3.15 3.27 0.00 5.70 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.48 4.13 0.00 1.84 1.89 0.00 3.27 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 43 E 8.92 3.85 0.00 1.93 1.94 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 2.29 2.27 0.00 44 R 8.51 4.03 0.00 2.03 1.92 0.00 2.85 0.00 0.00 3.01 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.27 0.00 45 P 0.00 4.49 0.00 2.32 2.18 0.00 3.92 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.08 0.00 46 A 8.42 4.21 1.34 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 47 F 8.94 4.59 0.00 3.00 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 48 I 6.88 3.79 1.23 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.60 -0.12 0.00 0.00 49 P 0.00 4.18 0.00 1.83 1.93 0.00 3.24 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.77 0.00 50 Y 7.39 4.29 0.00 2.94 2.85 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 51 H 9.05 4.46 0.00 3.21 3.41 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 8.42 4.63 0.00 3.27 3.40 0.00 5.48 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.14 4.61 0.00 1.66 1.63 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.55 3.78 0.00 1.92 1.98 0.00 3.33 0.00 0.00 3.29 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.75 0.00 55 I 7.52 3.84 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.76 0.88 0.00 0.00 56 R 8.05 4.28 0.00 1.65 1.66 0.00 3.10 0.00 0.00 2.88 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.47 0.00 57 T 7.94 4.29 4.19 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 0.00 0.00 1.18 0.00 0.00 58 K 7.30 4.38 0.00 1.61 1.56 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.23 1.34 7.81 59 P 0.00 4.13 0.00 2.08 1.90 0.00 3.73 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.90 0.00 60 F 7.60 3.86 0.00 2.28 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 0.00 0.00 0.00 61 S 8.28 4.65 0.00 4.25 4.09 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 62 W 7.24 5.25 0.00 3.37 3.24 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 63 G 8.60 3.76 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 0.00 0.00 0.00 64 D 8.89 4.51 0.00 2.81 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.39 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 66 N 8.45 4.91 0.00 2.59 2.82 0.00 0.00 6.99 7.99 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 67 H 8.16 4.92 0.00 3.12 3.13 0.00 5.95 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.38 3.52 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 1.45 0.00 0.00 69 F 9.04 3.38 0.00 2.62 2.74 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 70 F 7.81 4.84 0.00 3.14 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 71 H 7.93 3.96 0.00 3.36 3.31 0.00 5.89 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 9.54 4.82 0.00 2.69 2.87 0.00 0.00 6.77 7.99 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 73 P 0.00 4.31 0.00 2.11 2.19 0.00 3.74 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 2.06 2.17 0.00 74 R 7.86 4.05 0.00 1.76 2.03 0.00 3.32 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 75 V 7.84 4.51 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 0.84 0.00 0.00 0.97 0.00 0.00 76 N 8.59 4.80 0.00 2.65 2.85 0.00 0.00 6.98 7.95 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 77 P 0.00 4.04 0.00 1.51 0.49 0.00 3.71 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.72 0.00 78 L 7.64 4.38 0.00 1.56 1.55 0.75 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.35 0.00 2.02 2.13 0.00 3.59 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 2.15 2.08 0.00 80 T 7.76 4.42 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 1.21 0.00 0.00 81 G 7.32 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 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.41 4.31 0.00 2.90 2.90 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 83 E 8.35 4.64 0.00 2.02 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 2.25 2.32 0.00 84 K 8.61 4.06 0.00 1.73 1.75 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.52 7.81 * Residues marked with a * may have inaccurate shift predictions.