NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.5134 8.4201 118.2176 52.8651 38.5690 173.3986 0 A 4.3786 7.9712 121.2515 49.2658 18.7871 171.1512 2 V 4.5689 8.2962 119.9727 61.9072 36.0307 171.1495 3 Q 5.1303 8.4248 122.4162 55.1887 32.1017 173.5215 4 K 4.7325 9.0955 123.7366 54.9788 37.2624 174.7974 5 R 4.9743 8.5383 123.2161 55.0215 31.3789 175.5730 6 V 4.5302 8.9034 125.8444 61.1656 34.9487 174.0778 7 Q 4.5976 8.5602 127.8853 54.8179 30.8641 174.2855 8 V 4.3656 8.8778 128.1238 62.6398 32.2373 176.0647 9 S 4.7305 8.9865 122.7326 57.8681 64.1309 174.7729 10 L 4.0700 7.8378 121.7889 55.0646 42.0120 178.2821 11 K 3.9750 8.6725 122.2496 59.5715 31.9931 177.7692 12 N 4.5088 8.2235 113.8556 52.7452 39.1804 176.5233 13 G 3.9381 7.5090 108.0574 45.0746 0.0000 173.7022 14 L 4.3398 7.9591 118.4012 53.4778 40.4282 175.3925 15 Q 4.5167 7.6552 117.9163 54.2910 34.6378 176.2232 16 A 3.4889 8.2407 121.4924 53.7964 17.3807 180.1503 17 R 3.9757 8.5843 113.7315 60.7851 30.0713 176.3265 18 P 4.4218 0.0000 0.0000 65.6263 31.2949 178.3665 19 A 3.9939 8.1035 119.3452 54.9906 18.3234 179.4598 20 A 3.9802 7.8264 119.3769 55.5339 18.4228 179.9760 21 L 4.0452 8.2749 117.4774 57.6289 41.6087 179.4957 22 F 3.2320 8.3154 120.8548 61.1049 39.3071 177.4404 23 V 3.7603 8.1241 117.9367 65.8125 31.0662 177.7284 24 Q 3.8939 7.9390 118.6828 59.1145 29.2242 177.6636 25 E 3.8809 8.2956 120.2721 59.1288 29.7766 178.4353 26 A 4.0379 7.9774 121.2159 55.4007 18.1945 179.2612 27 N 4.3518 7.9302 113.1887 55.6905 38.5945 177.0912 28 R 3.7902 7.4615 119.5239 57.4912 30.3769 176.3743 29 F 4.6982 6.8189 116.3869 56.6928 40.2005 175.6374 30 H 4.3135 9.7117 121.0569 58.7755 28.7885 176.6766 31 A 4.3622 8.4338 120.1261 52.0644 19.1461 177.3941 32 D 4.5131 8.8123 119.9441 54.3163 42.5334 175.8629 33 I 4.9392 7.3873 121.5887 59.6460 41.4379 174.1834 34 F 5.3558 9.3928 124.8043 55.6835 43.4138 173.8743 35 I 5.0681 8.9271 122.0250 59.5352 40.7794 174.0832 36 E 5.2364 9.3265 127.4746 54.3065 32.8647 174.5231 37 K 4.7253 8.8125 126.9582 55.3722 35.9263 175.8299 38 D 4.5376 9.9602 127.3627 55.4912 38.4075 174.8140 39 G 4.2370 8.4646 105.6510 45.0198 0.0000 173.4430 40 K 4.6126 7.8811 121.8276 54.9498 34.3317 174.9990 41 T 5.1960 8.5106 122.8863 61.9681 71.3988 173.5872 42 V 4.6936 8.8900 118.2047 59.2097 36.7743 174.2130 43 N 4.8280 8.7823 120.9774 53.3074 39.2550 175.9071 44 A 4.1689 8.7152 130.2317 54.6671 18.6397 178.0647 45 K 4.1447 8.3269 113.8785 56.7815 32.5757 176.5053 46 S 4.6499 7.9420 115.8290 56.3978 63.0304 174.8058 47 I 4.1371 8.2574 129.6227 61.3720 37.5140 177.1513 *49 G 4.0691 8.2677 107.9804 45.4229 0.0000 177.1275 50 I 3.7322 7.7126 120.5937 61.1653 36.4653 178.1758 *52 S 4.4534 8.0568 116.3534 58.1552 64.5462 174.6123 53 L 3.9867 7.7983 119.3142 55.1169 42.1567 176.3271 54 A 3.6223 7.8599 120.6963 53.0830 15.8202 178.8569 55 I 3.9161 7.2632 122.4389 60.5139 37.1038 177.0382 56 G 4.2707 8.1876 115.3269 43.6013 0.0000 171.4609 57 T 4.0422 8.1832 109.4670 63.4231 68.6346 174.7713 58 G 4.0237 9.0174 113.5345 45.4565 0.0000 176.3355 59 S 4.3690 7.5251 117.1044 57.8887 62.9370 173.0931 *61 I 4.3821 8.0639 117.1023 62.2638 39.4712 174.9089 62 T 5.0783 8.6365 119.7899 62.0157 71.1381 173.2705 63 I 4.9592 8.7895 127.6742 60.0383 39.6839 174.8679 64 T 5.3392 9.0726 123.2408 61.9986 72.1258 173.1619 65 T 5.2281 9.0176 115.2392 60.2784 73.0714 172.6157 66 E 4.6912 8.7879 123.3597 54.3419 33.8413 175.5548 67 G 4.3165 8.7384 114.1329 44.3217 0.0000 172.8223 68 S 4.1394 8.4508 114.3527 60.8973 62.9802 175.6479 69 D 4.9405 7.9031 119.9985 52.6660 40.5081 178.2180 70 A 3.8706 7.7050 123.9718 56.3918 18.3335 179.8308 71 E 3.8018 8.0203 117.1654 59.2127 29.7409 178.3020 72 E 3.8073 8.0818 118.6908 59.1547 29.7369 178.4556 73 A 2.5800 7.6807 120.8657 54.3537 18.2398 179.1280 74 L 3.7654 7.6431 118.7345 58.6263 42.1017 179.2282 75 E 3.9317 8.3142 118.2259 59.0904 29.3471 179.2909 76 A 4.0183 8.1131 121.1778 55.2608 18.3747 179.7653 77 L 3.9644 7.9972 117.3389 57.6370 41.6302 179.5911 78 A 4.0736 8.3640 120.8880 55.2321 18.1802 179.5991 79 A 4.0732 8.1477 117.8924 54.8856 18.4238 179.0257 80 Y 4.0960 7.8766 117.9867 60.7517 39.2318 177.6281 81 V 4.1975 7.9068 112.3672 62.6005 32.0087 176.3196 82 Q 4.6878 8.0691 121.3413 55.5558 28.6020 175.6993 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 N 8.42 4.51 0.00 3.03 2.93 0.00 0.00 5.90 6.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 A 7.97 4.38 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 V 8.30 4.57 2.07 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 0.70 0.00 0.00 0.99 0.00 0.00 3 Q 8.42 5.13 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 4 K 9.10 4.73 0.00 1.71 1.63 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.38 7.81 5 R 8.54 4.97 0.00 1.82 1.83 0.00 3.18 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 6 V 8.90 4.53 2.11 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 0.84 0.00 0.00 1.00 0.00 0.00 7 Q 8.56 4.60 0.00 2.18 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 8 V 8.88 4.37 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 1.00 0.00 0.00 0.95 0.00 0.00 9 S 8.99 4.73 0.00 3.87 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 10 L 7.84 4.07 0.00 1.73 1.64 1.06 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.67 3.98 0.00 1.73 1.87 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.40 7.81 12 N 8.22 4.51 0.00 2.84 2.84 0.00 0.00 7.07 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 13 G 7.51 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 14 L 7.96 4.34 0.00 1.42 1.43 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.66 4.52 0.00 2.27 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.56 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 16 A 8.24 3.49 1.20 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 0.00 0.00 17 R 8.58 3.98 0.00 1.96 1.96 0.00 3.28 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 18 P 0.00 4.42 0.00 2.37 2.20 0.00 3.90 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 2.14 2.20 0.00 19 A 8.10 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.83 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 21 L 8.27 4.05 0.00 1.97 1.96 1.01 0.89 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 22 F 8.32 3.23 0.00 2.80 3.04 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 23 V 8.12 3.76 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 0.94 0.00 0.00 1.15 0.00 0.00 24 Q 7.94 3.89 0.00 2.15 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 25 E 8.30 3.88 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 2.26 2.37 0.00 26 A 7.98 4.04 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 27 N 7.93 4.35 0.00 2.88 2.82 0.00 0.00 7.03 7.06 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 28 R 7.46 3.79 0.00 1.51 1.28 0.00 3.04 0.00 0.00 3.01 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.41 0.00 29 F 6.82 4.70 0.00 3.08 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 30 H 9.71 4.31 0.00 3.31 3.38 0.00 5.66 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 31 A 8.43 4.36 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.81 4.51 0.00 2.77 2.63 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 0.00 0.00 0.00 0.00 33 I 7.39 4.94 1.65 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.85 0.78 0.00 0.00 34 F 9.39 5.36 0.00 2.95 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 35 I 8.93 5.07 1.93 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.27 0.92 0.00 0.00 36 E 9.33 5.24 0.00 2.02 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 2.19 2.32 0.00 37 K 8.81 4.73 0.00 1.80 1.57 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.40 7.81 38 D 9.96 4.54 0.00 2.82 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 39 G 8.46 4.24 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 0.00 0.00 0.00 40 K 7.88 4.61 0.00 1.85 1.83 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.40 7.81 41 T 8.51 5.20 4.24 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 1.26 0.00 0.00 42 V 8.89 4.69 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 0.77 0.00 0.00 0.98 0.00 0.00 43 N 8.78 4.83 0.00 2.92 2.73 0.00 0.00 6.78 7.70 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 44 A 8.72 4.17 1.32 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 0.00 0.00 45 K 8.33 4.14 0.00 1.82 1.98 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.25 7.81 46 S 7.94 4.65 0.00 3.86 3.93 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 0.00 0.00 0.00 47 I 8.26 4.14 1.89 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 1.37 0.82 0.92 0.00 0.00 *49 G 8.27 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 0.00 0.00 0.00 0.00 50 I 7.71 3.73 1.89 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 1.58 1.42 0.82 0.00 0.00 *52 S 8.06 4.45 0.00 4.01 4.05 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 0.00 0.00 0.00 53 L 7.80 3.99 0.00 1.83 1.75 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.86 3.62 1.29 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 0.00 0.00 55 I 7.26 3.92 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.58 0.85 0.00 0.00 56 G 8.19 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 57 T 8.18 4.04 4.24 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 1.28 0.00 0.00 58 G 9.02 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 0.00 0.00 0.00 59 S 7.53 4.37 0.00 3.95 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 *61 I 8.06 4.38 1.88 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 1.48 0.96 0.89 0.00 0.00 62 T 8.64 5.08 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 1.33 0.00 0.00 63 I 8.79 4.96 1.90 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.89 0.93 0.00 0.00 64 T 9.07 5.34 4.43 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 0.00 0.00 0.00 1.35 0.00 0.00 65 T 9.02 5.23 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 1.14 0.00 0.00 66 E 8.79 4.69 0.00 2.10 1.86 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 2.24 2.29 0.00 67 G 8.74 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 0.00 0.00 0.00 0.00 68 S 8.45 4.14 0.00 3.98 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 69 D 7.90 4.94 0.00 3.19 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 70 A 7.70 3.87 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 71 E 8.02 3.80 0.00 2.06 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 2.36 2.48 0.00 72 E 8.08 3.81 0.00 2.07 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 2.45 2.44 0.00 73 A 7.68 2.58 0.66 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 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.64 3.77 0.00 1.77 1.85 0.96 0.85 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 75 E 8.31 3.93 0.00 2.00 1.97 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 2.31 2.40 0.00 76 A 8.11 4.02 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 77 L 8.00 3.96 0.00 1.65 1.73 0.58 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.36 4.07 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 79 A 8.15 4.07 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 Y 7.88 4.10 0.00 3.23 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 81 V 7.91 4.20 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 0.97 0.00 0.00 1.13 0.00 0.00 82 Q 8.07 4.69 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.55 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 * Residues marked with a * may have inaccurate shift predictions.