NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 36 V 4.3194 7.8976 114.0219 60.3385 34.0044 174.2589 37 P 4.0174 0.0000 0.0000 62.6293 31.4925 173.4855 38 A 4.8451 9.1548 127.4683 49.8341 23.4510 175.5060 39 R 5.3528 7.8763 115.6625 53.9051 34.1206 176.0034 40 I 4.3507 8.3758 124.2361 60.0099 38.5520 174.3915 41 I 4.4634 9.1828 130.5236 60.5261 38.3806 175.4119 42 C 5.4711 7.7411 122.9720 55.5044 32.5034 173.3994 43 G 3.7305 8.5782 106.4496 48.7923 0.0000 175.4982 44 C 3.9631 8.1391 115.1808 60.5252 28.1247 175.5426 45 G 3.9637 8.5466 108.2799 45.5033 0.0000 173.6341 46 N 4.6493 7.6367 119.4639 53.2115 40.1550 173.9337 47 V 4.8111 8.3657 124.5749 61.2153 34.5780 174.4764 48 I 4.5860 8.2015 125.7075 59.4696 40.9104 174.4220 49 E 4.7912 8.8114 127.1279 55.2830 30.3149 174.4304 50 T 4.6865 8.1268 121.9504 61.3972 72.7019 172.3426 51 Y 5.2079 8.2262 118.1706 57.1132 42.5953 175.2696 52 S 4.6574 8.4085 113.8522 59.4666 67.8306 176.0756 53 T 4.2789 8.6686 116.7677 63.4633 69.9374 172.1381 54 K 3.6004 8.6974 127.2429 56.3380 32.5070 174.1373 55 P 4.2983 0.0000 0.0000 63.5881 31.5417 175.1144 56 E 4.4002 7.3736 120.0918 54.9655 30.5491 175.9785 57 I 4.2144 7.8272 128.0337 60.8343 40.6946 172.9136 58 Y 5.9062 8.3029 125.2994 55.8594 39.3158 175.4760 59 V 4.3153 8.2297 124.1973 60.4159 34.2130 175.6621 60 E 4.4297 8.4522 129.8416 55.2524 27.5449 175.9752 61 V 3.8256 7.8594 118.3558 63.1800 32.8271 169.9731 62 C 5.0512 8.0020 118.6472 56.7147 32.2696 175.0944 63 S 4.2487 8.7741 115.0337 59.3177 62.7020 174.4833 64 K 4.6036 8.9873 120.3942 54.3359 31.4781 174.1568 65 C 5.4340 8.5690 120.7986 59.3164 33.1447 170.9049 66 H 4.6848 8.3957 129.3908 54.6764 28.0876 174.0390 67 P 4.5250 0.0000 0.0000 60.2059 29.4683 173.6291 68 F 4.8578 7.1427 127.0708 59.8936 48.1100 180.3266 *69 Y 4.4355 7.8091 124.8668 57.2230 36.8403 179.7563 *71 Q 4.2454 8.4586 120.0958 57.1576 29.1907 174.7899 72 Q 4.2854 8.6040 113.5481 57.6786 26.0110 172.7181 73 R 4.2906 8.3239 124.8513 54.9812 27.4064 176.3141 *74 F 4.3356 7.7028 121.8731 58.2738 43.2479 172.3715 75 V 4.6452 9.2851 124.3327 64.6217 34.7236 165.1525 76 D 4.8267 8.2926 127.3296 50.7073 36.2461 173.8235 77 T 3.3970 9.1354 111.3515 61.2422 65.8136 172.2801 78 E 3.9088 7.7359 117.8284 57.9510 27.9797 175.1685 79 G 4.0134 7.9613 108.0838 44.5673 0.0000 176.3801 80 R 4.6996 7.2997 116.3299 57.1908 30.7998 175.1346 81 V 4.1861 8.0495 119.9856 63.1404 31.6011 173.9022 82 E 5.0483 8.3629 123.6342 56.4918 31.4535 178.7045 83 R 5.1168 8.5870 131.2300 58.2260 29.0563 174.7982 *84 F 3.7053 7.6074 124.8304 56.8484 37.4498 178.5691 *85 Q 4.2136 8.5421 124.2039 54.3316 28.6122 172.0070 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 36 V 7.90 4.32 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 0.71 0.00 0.00 0.98 0.00 0.00 37 P 0.00 4.02 0.00 1.83 1.73 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.03 0.00 38 A 9.15 4.85 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 39 R 7.88 5.35 0.00 1.59 1.75 0.00 3.05 0.00 0.00 3.01 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.39 0.00 40 I 8.38 4.35 1.88 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 1.35 1.30 0.94 0.00 0.00 41 I 9.18 4.46 2.27 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.32 1.07 0.00 0.00 42 C 7.74 5.47 0.00 3.22 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 43 G 8.58 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 44 C 8.14 3.96 0.00 3.02 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 45 G 8.55 3.96 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 0.00 0.00 0.00 46 N 7.64 4.65 0.00 2.83 2.70 0.00 0.00 6.53 7.45 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 47 V 8.37 4.81 2.09 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 0.88 0.00 0.00 0.95 0.00 0.00 48 I 8.20 4.59 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 1.13 0.63 0.93 0.00 0.00 49 E 8.81 4.79 0.00 1.92 1.87 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 2.16 2.26 0.00 50 T 8.13 4.69 4.38 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 1.26 0.00 0.00 51 Y 8.23 5.21 0.00 2.74 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 52 S 8.41 4.66 0.00 3.90 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 53 T 8.67 4.28 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 1.21 0.00 0.00 54 K 8.70 3.60 0.00 2.03 1.99 0.00 1.47 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.40 7.81 55 P 0.00 4.30 0.00 2.14 2.07 0.00 3.54 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 56 E 7.37 4.40 0.00 1.92 1.72 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 1.96 1.71 0.00 57 I 7.83 4.21 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.87 0.91 0.00 0.00 58 Y 8.30 5.91 0.00 2.87 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 59 V 8.23 4.32 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 1.05 0.00 0.00 0.97 0.00 0.00 60 E 8.45 4.43 0.00 1.97 1.90 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 2.30 2.37 0.00 61 V 7.86 3.83 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 0.88 0.00 0.00 0.96 0.00 0.00 62 C 8.00 5.05 0.00 3.12 3.05 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 63 S 8.77 4.25 0.00 4.04 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 64 K 8.99 4.60 0.00 1.73 1.77 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.37 7.81 65 C 8.57 5.43 0.00 3.14 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 66 H 8.40 4.68 0.00 3.25 3.64 0.00 5.77 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.52 0.00 1.69 1.91 0.00 3.51 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.98 0.00 68 F 7.14 4.86 0.00 3.09 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 *69 Y 7.81 4.44 0.00 2.33 1.63 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 *71 Q 8.46 4.25 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 7.30 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 72 Q 8.60 4.29 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 7.37 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 73 R 8.32 4.29 0.00 1.82 1.79 0.00 3.34 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 *74 F 7.70 4.34 0.00 2.31 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 0.00 0.00 0.00 75 V 9.29 4.65 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 0.79 0.00 0.00 0.93 0.00 0.00 76 D 8.29 4.83 0.00 2.66 2.24 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 77 T 9.14 3.40 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 1.21 0.00 0.00 78 E 7.74 3.91 0.00 2.17 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 2.26 2.38 0.00 79 G 7.96 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 80 R 7.30 4.70 0.00 2.01 1.48 0.00 3.02 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.35 0.00 81 V 8.05 4.19 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 0.80 0.00 0.00 0.93 0.00 0.00 82 E 8.36 5.05 0.00 2.02 1.85 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 2.05 2.04 0.00 83 R 8.59 5.12 0.00 1.96 1.82 0.00 3.36 0.00 0.00 3.26 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.92 0.00 *84 F 7.61 3.71 0.00 2.30 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 0.00 0.00 0.00 0.00 *85 Q 8.54 4.21 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.62 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.