NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 A 4.1822 8.2644 123.5882 51.7969 20.8694 176.1696 *2 K 4.4940 7.5651 117.5330 56.4783 33.7766 174.0592 3 A 5.2248 9.0892 126.3933 51.0780 23.5585 174.7490 4 I 4.8120 9.0480 120.3778 59.6253 39.8574 174.9282 5 I 4.7414 8.7773 128.2380 59.8219 39.0494 175.1956 6 T 4.6324 8.5938 123.4292 61.6399 71.7216 173.4303 7 V 4.9808 8.1761 124.3472 61.1353 35.2755 174.1819 8 V 4.8412 8.5918 126.6507 61.5370 35.1312 174.5122 9 G 4.3257 8.8762 113.2701 46.2021 0.0000 173.3654 10 K 4.5001 8.8691 117.2005 56.7099 32.7309 176.9249 11 D 4.6734 7.7725 117.6856 52.4286 44.1201 174.8335 12 K 3.5848 8.3712 124.4769 57.0929 33.2462 175.5125 13 S 4.0455 7.9453 115.1069 60.3367 62.1347 174.4823 14 G 4.0108 8.8592 116.4245 46.0153 0.0000 174.6358 15 I 3.7849 8.1162 121.6817 64.3443 37.0713 178.2158 16 V 3.6883 7.8727 118.4242 66.0192 31.2759 177.7830 17 A 4.1064 8.0661 120.0218 55.0470 18.2806 179.4454 18 G 3.8720 8.2583 104.2690 48.3131 0.0000 176.0893 19 V 3.8800 8.4154 122.0874 65.5326 31.6479 178.3309 20 S 4.2703 8.5474 114.3573 61.1827 62.7687 176.7732 21 G 3.5354 8.3890 109.6941 47.4442 0.0000 175.5996 22 K 3.5439 8.0546 122.5201 59.0084 32.1969 178.6565 23 I 3.8200 8.0659 120.1378 64.6804 37.0867 178.2585 24 A 4.0204 8.0124 121.2767 55.1987 17.9597 179.4207 25 E 3.9061 8.1176 116.3343 59.2746 29.5720 178.6601 26 L 4.4142 7.6057 116.0045 53.9904 41.8093 177.1169 27 G 3.9116 7.8259 106.7384 46.3794 0.0000 173.5856 28 L 4.7664 7.5603 118.3649 53.1394 43.4575 176.2522 29 N 4.6785 9.3422 120.3818 52.8308 40.3690 174.7770 30 I 4.5534 8.2437 124.0129 60.5006 36.7938 175.2678 31 D 4.5647 9.1178 129.1786 57.1277 41.5145 176.5154 32 D 4.6468 7.8614 114.9724 53.7082 44.5706 174.0711 33 I 4.8197 8.1097 121.5776 60.3824 40.9488 173.5211 34 S 4.6727 8.3006 120.1903 57.3323 65.2439 173.1092 35 Q 4.6979 8.1909 122.4355 54.8799 32.8955 174.3934 36 T 4.7262 8.4762 117.3609 62.0726 73.5664 173.2101 37 V 4.4152 8.4511 125.0988 62.4683 32.7498 175.3221 38 L 4.5764 9.7588 129.9349 54.2016 45.2072 175.9294 39 D 4.3467 8.4293 128.0775 55.8373 40.7307 173.5706 40 E 4.3785 8.6335 114.0478 55.8417 29.3865 174.1654 41 Y 5.0726 7.9924 117.2720 56.5914 41.8069 174.2163 42 F 5.2872 9.4469 124.2436 56.8549 42.5494 174.2755 43 T 5.4209 8.6270 114.1036 58.5345 73.0964 172.1265 *46 A 4.4706 8.2822 121.6446 51.8700 20.3887 175.5720 47 V 4.6352 8.3984 121.7555 61.6055 33.2961 175.3166 48 V 5.6174 9.0644 120.6031 59.1118 36.1020 174.3790 49 S 5.0022 8.2903 115.2360 58.0358 66.4847 172.5011 50 S 4.9073 8.2339 113.1907 57.2560 64.9020 173.6411 51 D 4.6446 8.8995 123.4054 55.1161 41.0845 176.1594 52 E 4.7732 7.9883 119.1871 53.7103 32.2105 176.1283 53 K 4.0313 8.5979 121.2494 57.1615 32.6609 176.1992 54 Q 4.5392 8.3682 119.7468 53.7912 32.4249 175.4023 55 D 4.8076 8.1709 118.3645 52.7817 42.0818 176.5784 56 F 4.0298 8.8176 127.1788 60.4881 38.8539 177.5797 57 T 3.9500 8.1656 115.3669 66.8082 68.2394 175.8814 58 Y 4.1733 8.3190 120.6468 60.7682 39.0186 177.5443 59 L 3.6312 8.1054 120.1116 57.8252 41.7578 179.7233 60 R 4.0488 8.4068 118.1443 59.5653 30.0408 178.9099 61 N 4.3708 7.9048 116.2159 56.1854 38.4529 177.1924 62 E 3.7143 8.1904 121.0760 59.3320 29.6217 178.9819 63 F 4.1731 8.5044 118.1415 60.1484 38.8825 177.4783 64 E 3.9607 8.4633 119.0498 59.2496 29.3208 178.5710 65 A 4.0060 7.9143 119.4579 55.1901 18.3528 178.9770 66 F 4.3024 8.5385 119.3505 61.3387 39.4243 177.2822 67 G 3.8547 8.3475 106.8316 47.3881 0.0000 175.4379 68 Q 4.0034 7.9128 120.2807 58.8804 28.5126 179.1475 69 T 3.8711 7.3524 109.1530 63.8424 68.6404 175.3521 70 L 4.4104 7.1970 118.2679 53.1292 42.7078 175.4830 71 N 4.2395 7.9406 114.9549 54.6719 36.5934 174.1649 72 V 4.7573 7.8200 108.9656 59.5980 36.8772 175.3111 73 K 4.4987 9.1176 122.3945 55.1497 33.7705 175.5808 74 I 4.9499 8.4797 126.0158 59.5118 39.4419 174.5379 75 N 5.1068 8.8791 125.5882 51.7578 41.8817 172.9968 76 I 5.1152 8.2905 123.5474 59.3525 41.1340 174.2411 77 Q 4.6586 9.1307 127.7163 53.7091 32.5507 175.3056 78 S 4.2916 8.1873 117.6266 57.9351 63.0743 174.8610 79 A 4.3413 9.1632 128.0158 55.0853 18.0568 180.0136 80 A 3.9255 7.9544 120.0006 55.4259 18.1267 179.8272 81 I 3.5703 7.1527 110.1086 63.4368 37.6765 176.9479 82 F 4.5547 7.0637 117.4626 57.2265 38.9471 175.2149 83 E 4.1141 7.8170 127.3942 56.6851 29.3034 176.4702 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 4.18 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 *2 K 7.57 4.49 0.00 1.94 1.80 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.65 7.81 3 A 9.09 5.22 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.05 4.81 1.91 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.64 0.78 0.00 0.00 5 I 8.78 4.74 1.69 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.38 0.64 0.00 0.00 6 T 8.59 4.63 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 1.15 0.00 0.00 7 V 8.18 4.98 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 1.08 0.00 0.00 0.95 0.00 0.00 8 V 8.59 4.84 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 0.74 0.00 0.00 0.86 0.00 0.00 9 G 8.88 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 0.00 0.00 0.00 0.00 10 K 8.87 4.50 0.00 1.77 1.81 0.00 1.79 0.00 0.00 1.50 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.18 1.51 7.81 11 D 7.77 4.67 0.00 2.52 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.37 3.58 0.00 0.79 0.74 0.00 0.93 0.00 0.00 1.35 0.00 0.00 2.68 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.07 1.01 7.81 13 S 7.95 4.05 0.00 3.79 4.06 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 14 G 8.86 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 15 I 8.12 3.78 1.98 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 1.44 1.11 1.17 0.00 0.00 16 V 7.87 3.69 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 1.19 0.00 0.00 1.12 0.00 0.00 17 A 8.07 4.11 1.36 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 18 G 8.26 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.42 3.88 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 1.25 0.00 0.00 1.23 0.00 0.00 20 S 8.55 4.27 0.00 4.12 4.17 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 21 G 8.39 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.05 3.54 0.00 0.79 1.66 0.00 1.00 0.00 0.00 0.61 0.00 0.00 2.61 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.51 0.80 7.81 23 I 8.07 3.82 2.09 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.30 0.95 0.00 0.00 24 A 8.01 4.02 1.36 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 25 E 8.12 3.91 0.00 1.95 1.95 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 2.30 2.51 0.00 26 L 7.61 4.41 0.00 1.78 1.67 0.42 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.83 3.91 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 0.00 0.00 0.00 28 L 7.56 4.77 0.00 1.72 1.62 1.02 0.85 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 29 N 9.34 4.68 0.00 2.61 2.73 0.00 0.00 6.95 7.83 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 30 I 8.24 4.55 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 1.36 0.52 0.96 0.00 0.00 31 D 9.12 4.56 0.00 2.67 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 32 D 7.86 4.65 0.00 2.66 2.41 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 33 I 8.11 4.82 1.87 0.00 0.00 0.89 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 0.75 0.92 0.00 0.00 34 S 8.30 4.67 0.00 3.78 3.60 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 0.00 0.00 0.00 0.00 35 Q 8.19 4.70 0.00 1.97 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.49 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 36 T 8.48 4.73 4.18 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 0.00 0.00 1.21 0.00 0.00 37 V 8.45 4.42 2.16 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 0.86 0.00 0.00 1.09 0.00 0.00 38 L 9.76 4.58 0.00 1.54 1.55 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.43 4.35 0.00 2.92 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 0.00 0.00 0.00 40 E 8.63 4.38 0.00 1.90 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 1.47 1.47 0.00 41 Y 7.99 5.07 0.00 3.12 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 42 F 9.45 5.29 0.00 3.07 2.94 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 43 T 8.63 5.42 4.07 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 0.00 0.00 1.14 0.00 0.00 *46 A 8.28 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 47 V 8.40 4.64 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 1.03 0.00 0.00 0.86 0.00 0.00 48 V 9.06 5.62 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 0.76 0.00 0.00 1.00 0.00 0.00 49 S 8.29 5.00 0.00 3.87 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 50 S 8.23 4.91 0.00 3.86 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 51 D 8.90 4.64 0.00 2.72 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 52 E 7.99 4.77 0.00 1.90 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 2.23 2.23 0.00 53 K 8.60 4.03 0.00 1.76 1.79 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.51 7.81 54 Q 8.37 4.54 0.00 1.70 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.12 0.00 55 D 8.17 4.81 0.00 2.80 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.82 4.03 0.00 3.24 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 57 T 8.17 3.95 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 1.28 0.00 0.00 58 Y 8.32 4.17 0.00 3.12 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 59 L 8.11 3.63 0.00 1.65 1.80 0.55 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.41 4.05 0.00 1.90 2.06 0.00 3.19 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.11 0.00 61 N 7.90 4.37 0.00 2.84 2.87 0.00 0.00 6.72 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.19 3.71 0.00 1.24 1.41 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 1.76 1.90 0.00 63 F 8.50 4.17 0.00 3.22 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 64 E 8.46 3.96 0.00 2.22 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 2.34 2.40 0.00 65 A 7.91 4.01 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 66 F 8.54 4.30 0.00 3.13 3.25 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 67 G 8.35 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 0.00 0.00 0.00 68 Q 7.91 4.00 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 69 T 7.35 3.87 4.12 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 1.22 0.00 0.00 70 L 7.20 4.41 0.00 1.45 1.62 0.80 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 71 N 7.94 4.24 0.00 2.90 2.91 0.00 0.00 6.68 7.34 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 72 V 7.82 4.76 2.25 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 0.99 0.00 0.00 0.97 0.00 0.00 73 K 9.12 4.50 0.00 1.63 1.74 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.55 7.81 74 I 8.48 4.95 2.24 0.00 0.00 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 1.34 0.70 0.94 0.00 0.00 75 N 8.88 5.11 0.00 2.80 2.64 0.00 0.00 6.16 7.71 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 76 I 8.29 5.12 1.64 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 1.66 1.14 1.08 0.00 0.00 77 Q 9.13 4.66 0.00 2.25 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.73 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 78 S 8.19 4.29 0.00 2.72 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 79 A 9.16 4.34 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 7.95 3.93 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 81 I 7.15 3.57 1.49 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.36 0.61 0.00 0.00 82 F 7.06 4.55 0.00 3.06 3.12 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 83 E 7.82 4.11 0.00 1.93 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 0.00 2.31 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.