NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.0991 8.2644 123.5869 51.7551 20.1164 174.8398 *2 K 4.0637 8.2554 116.9980 56.7052 33.6210 175.4305 3 V 4.8584 8.3029 127.4786 60.9175 34.2389 173.8911 4 K 4.9979 9.2629 129.1438 54.6354 35.2340 174.5451 5 I 5.1394 8.7289 127.6177 59.8009 40.8599 173.7922 6 Y 5.1058 9.2126 125.2008 56.8024 40.0790 175.1040 7 T 5.2480 8.9462 113.6733 60.3889 73.1529 172.3535 8 R 5.0327 8.2633 116.4361 54.3079 32.7536 174.7499 9 N 4.3504 10.2246 118.9901 54.1198 39.2333 175.8239 10 G 3.7464 8.8446 109.5690 45.9869 0.0000 173.5039 11 C 4.5479 7.4102 121.0268 56.3279 31.3710 172.1229 12 P 3.5800 0.0000 0.0000 65.2204 30.9203 177.7473 13 Y 4.0097 7.5691 114.9117 60.8935 37.8034 178.0505 14 C 4.1873 7.9673 118.0651 62.7187 28.1448 176.2750 15 V 3.4816 7.0929 119.3810 65.6077 31.1486 177.9488 16 W 4.6591 7.7192 118.9347 59.6330 28.7821 178.4373 17 A 4.3370 7.9983 120.7197 55.2576 17.8938 179.7929 18 K 3.7251 8.0116 116.9920 59.7004 32.0903 179.2258 19 Q 4.2806 8.6990 120.2234 59.0410 28.4846 178.3342 20 W 4.0661 8.4500 129.2850 60.5209 30.7332 177.9844 21 F 4.3236 8.2554 117.1923 60.7505 38.4063 177.5048 22 E 4.1650 8.9606 118.6325 59.5750 29.1238 179.0635 23 E 4.2070 8.5308 117.0097 57.9117 29.5184 177.3313 24 N 4.6208 7.0230 113.9031 51.9092 39.1466 173.8917 25 N 4.1177 7.7333 115.1881 54.8819 37.8514 174.3199 26 I 4.4249 8.1176 117.5407 59.1059 38.9028 176.3157 27 A 4.2046 8.4870 128.7145 52.2557 19.0317 175.8861 28 F 4.9784 7.4112 113.3122 55.7690 41.1036 172.7782 29 D 4.7957 9.0513 120.4679 52.7449 42.8607 174.4249 30 E 5.0749 8.8365 126.8912 54.9118 31.7041 174.7585 31 T 4.4835 8.5767 123.7507 61.9021 70.9737 173.1546 32 I 4.6679 8.3474 128.1166 60.0338 38.5471 175.9707 33 I 4.3023 8.6937 121.6285 59.1312 37.2728 175.0447 34 D 4.4712 8.6091 130.1290 57.4491 41.5096 177.8208 35 D 4.7007 7.7704 118.3996 52.7759 41.8658 176.5323 36 Y 4.0046 8.6346 121.9078 60.8223 38.8805 178.3070 37 A 3.9829 8.1521 121.1221 55.5002 18.5791 179.4863 38 Q 3.9233 7.9344 116.3993 59.1317 28.7572 179.3784 39 R 3.5938 7.9961 119.4290 59.0504 30.0709 179.2857 40 S 4.2201 7.7940 114.0920 60.9067 62.9232 176.5389 41 K 3.8741 7.7260 123.0437 59.1792 31.7374 178.4955 42 F 4.0065 7.8259 119.7424 61.4605 39.5681 176.1966 43 Y 4.3295 7.9997 116.5263 61.4642 37.4998 178.7162 44 D 4.5040 7.9663 118.0367 57.2142 41.1787 178.9046 45 E 3.8878 7.9732 114.9343 57.6320 29.0492 178.3408 *47 N 4.6664 8.0267 116.3035 52.9237 40.4393 174.9957 48 Q 4.6073 7.8509 115.6830 55.5190 29.4388 176.2979 49 S 4.3520 8.1569 113.3358 58.0737 63.9378 175.3078 50 G 3.9355 8.2562 108.5046 45.4446 0.0000 173.8295 51 K 4.3658 7.9243 117.5823 56.4350 32.9916 176.8220 52 V 4.2649 7.4757 111.7972 59.6842 33.5337 175.5690 53 I 4.3350 8.0646 113.6580 60.8678 38.4681 175.0764 54 F 4.9064 6.9052 114.6773 54.8537 40.3771 171.7295 55 P 4.5546 0.0000 0.0000 62.4003 31.6898 176.0105 56 I 4.3937 8.8764 117.8370 60.2342 38.9089 176.5668 57 S 3.1771 7.9109 113.5548 58.9933 64.2270 173.4975 58 T 4.8646 7.1443 109.0609 59.8256 71.7126 172.6810 59 V 4.9041 8.1729 114.2928 58.7103 34.8672 174.0601 60 P 5.4166 0.0000 0.0000 62.5146 33.2333 174.8740 61 Q 5.0608 8.9127 119.0191 54.3486 32.2806 174.2915 62 I 5.0679 8.7052 124.9282 59.5504 40.0918 174.5725 63 F 5.3913 9.8040 125.6731 55.7233 42.3471 174.4218 64 I 4.9245 8.8014 123.5393 60.0415 40.4120 175.6378 65 D 4.5011 10.2161 128.6760 55.6264 38.9239 174.5781 66 D 4.7729 8.4749 115.2294 54.4767 38.9767 174.1549 67 E 4.5391 8.1104 120.4690 54.6928 30.5534 175.0426 68 H 3.9115 8.9630 124.2431 56.4245 30.3533 174.5343 69 I 3.9604 8.7681 128.6472 64.2767 38.5368 174.6539 70 G 3.8802 7.3219 106.6917 44.5239 0.0000 171.0698 71 G 4.4945 9.0052 112.5922 45.9176 0.0000 173.8822 72 F 4.2241 8.9381 119.7768 61.6112 39.5165 178.2094 73 T 3.6160 7.9293 114.9596 66.9266 68.3786 176.1460 74 E 3.8440 7.9474 119.6439 58.9122 29.2841 178.8657 75 L 3.5977 7.3436 119.6241 58.1112 42.4284 178.9864 76 K 3.5005 7.3737 118.0473 59.1161 31.6457 179.1076 77 A 3.9555 7.6208 120.0977 54.4541 18.4215 178.4497 78 N 4.7408 7.4100 112.3871 53.0188 39.0700 176.6292 79 A 3.8286 7.5983 125.4561 55.5628 18.1990 180.2658 80 D 4.3714 8.0389 115.2659 57.5116 41.2720 178.6365 81 K 4.1407 7.9832 119.5146 59.6089 31.9588 178.7691 82 I 3.8925 7.9432 120.1238 64.2985 36.8544 177.7065 83 L 4.3837 7.9443 117.1689 56.1164 41.6658 178.2703 84 N 4.5898 8.0752 116.8991 55.3492 38.7474 175.1031 85 K 4.2217 7.7296 123.1917 56.5837 32.2834 176.5024 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 0 A 8.26 4.10 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 *2 K 8.26 4.06 0.00 1.90 1.95 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.46 7.81 3 V 8.30 4.86 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 0.38 0.00 0.00 0.86 0.00 0.00 4 K 9.26 5.00 0.00 1.84 1.70 0.00 1.55 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.10 0.95 7.81 5 I 8.73 5.14 1.79 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.51 0.97 0.00 0.00 6 Y 9.21 5.11 0.00 3.02 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.95 5.25 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 1.27 0.00 0.00 8 R 8.26 5.03 0.00 1.90 1.89 0.00 3.08 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 9 N 10.22 4.35 0.00 2.58 2.77 0.00 0.00 7.01 7.53 0.00 0.00 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 8.84 3.75 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 0.00 0.00 0.00 11 C 7.41 4.55 0.00 2.96 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 12 P 0.00 3.58 0.00 1.72 1.47 0.00 3.54 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 1.96 1.94 0.00 13 Y 7.57 4.01 0.00 3.11 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 14 C 7.97 4.19 0.00 3.08 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 15 V 7.09 3.48 1.43 0.00 0.00 0.00 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 0.71 0.00 0.00 16 W 7.72 4.66 0.00 2.20 2.28 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 17 A 8.00 4.34 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.01 3.73 0.00 2.00 1.97 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.89 1.52 7.81 19 Q 8.70 4.28 0.00 2.35 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 20 W 8.45 4.07 0.00 3.72 3.23 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 21 F 8.26 4.32 0.00 3.43 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.96 4.17 0.00 2.27 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 2.53 2.88 0.00 23 E 8.53 4.21 0.00 1.75 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 2.61 2.51 0.00 24 N 7.02 4.62 0.00 2.20 2.44 0.00 0.00 6.96 7.88 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 25 N 7.73 4.12 0.00 2.80 2.83 0.00 0.00 6.93 8.06 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 26 I 8.12 4.42 2.39 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.05 1.17 0.00 0.00 27 A 8.49 4.20 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 28 F 7.41 4.98 0.00 2.78 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 9.05 4.80 0.00 2.76 2.51 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 30 E 8.84 5.07 0.00 2.32 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 2.22 2.35 0.00 31 T 8.58 4.48 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 1.24 0.00 0.00 32 I 8.35 4.67 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.52 0.90 0.00 0.00 33 I 8.69 4.30 1.72 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.51 0.76 0.00 0.00 34 D 8.61 4.47 0.00 2.69 2.77 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 35 D 7.77 4.70 0.00 2.91 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 36 Y 8.63 4.00 0.00 3.11 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 37 A 8.15 3.98 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 38 Q 7.93 3.92 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 39 R 8.00 3.59 0.00 1.77 1.42 0.00 3.20 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.54 0.00 40 S 7.79 4.22 0.00 3.92 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.73 3.87 0.00 1.91 1.95 0.00 1.63 0.00 0.00 1.57 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.42 7.81 42 F 7.83 4.01 0.00 2.86 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 43 Y 8.00 4.33 0.00 3.05 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 44 D 7.97 4.50 0.00 2.61 2.71 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 0.00 0.00 0.00 0.00 45 E 7.97 3.89 0.00 2.04 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 2.28 2.53 0.00 *47 N 8.03 4.67 0.00 2.73 2.87 0.00 0.00 6.87 7.69 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 48 Q 7.85 4.61 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.80 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 49 S 8.16 4.35 0.00 3.89 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 50 G 8.26 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 0.00 0.00 0.00 51 K 7.92 4.37 0.00 1.77 1.93 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.47 7.81 52 V 7.48 4.26 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 0.55 0.00 0.00 0.86 0.00 0.00 53 I 8.06 4.34 1.91 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.71 0.91 0.00 0.00 54 F 6.91 4.91 0.00 3.06 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 55 P 0.00 4.55 0.00 2.21 2.12 0.00 3.97 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 56 I 8.88 4.39 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.55 0.67 0.00 0.00 57 S 7.91 3.18 0.00 3.72 3.69 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 0.00 0.00 0.00 58 T 7.14 4.86 4.29 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 1.18 0.00 0.00 59 V 8.17 4.90 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 0.99 0.00 0.00 1.06 0.00 0.00 60 P 0.00 5.42 0.00 2.26 2.28 0.00 3.93 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 2.24 2.18 0.00 61 Q 8.91 5.06 0.00 2.42 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 2.75 2.55 0.00 62 I 8.71 5.07 2.02 0.00 0.00 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 1.44 0.82 1.13 0.00 0.00 63 F 9.80 5.39 0.00 2.94 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 64 I 8.80 4.92 1.97 0.00 0.00 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 1.37 0.88 1.03 0.00 0.00 65 D 10.22 4.50 0.00 2.77 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 66 D 8.47 4.77 0.00 2.91 2.92 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 67 E 8.11 4.54 0.00 2.27 1.92 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 2.33 2.28 0.00 68 H 8.96 3.91 0.00 3.20 3.13 0.00 5.91 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.77 3.96 1.95 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 1.25 0.54 0.83 0.00 0.00 70 G 7.32 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 71 G 9.01 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 0.00 0.00 0.00 0.00 72 F 8.94 4.22 0.00 3.21 3.18 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 0.00 73 T 7.93 3.62 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 1.08 0.00 0.00 74 E 7.95 3.84 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.34 0.00 75 L 7.34 3.60 0.00 1.51 1.40 0.32 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.37 3.50 0.00 1.31 1.50 0.00 1.14 0.00 0.00 1.08 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 0.90 7.81 77 A 7.62 3.96 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 78 N 7.41 4.74 0.00 2.62 2.74 0.00 0.00 6.79 6.62 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 79 A 7.60 3.83 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 0.00 0.00 0.00 0.00 0.00 80 D 8.04 4.37 0.00 2.67 2.78 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 81 K 7.98 4.14 0.00 1.88 1.81 0.00 1.65 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.63 7.81 82 I 7.94 3.89 2.11 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.84 1.31 0.00 0.00 83 L 7.94 4.38 0.00 1.74 1.76 1.01 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.08 4.59 0.00 2.95 2.91 0.00 0.00 6.95 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 7.73 4.22 0.00 1.98 1.79 0.00 1.79 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.