NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 L 4.0381 8.1849 122.4852 54.3535 42.6662 178.6364 *18 P 4.0765 0.0000 0.0000 62.4598 31.8692 175.7261 19 K 4.2262 7.8353 118.6346 55.5794 32.8609 176.5422 20 R 4.1152 7.5426 119.1676 55.7097 30.0596 176.2370 *22 V 4.1961 8.2945 123.0995 63.0644 33.2317 177.8170 23 C 5.2048 8.0785 118.7671 56.0316 43.2783 175.0527 *25 L 4.1223 8.1354 120.1815 54.1227 42.8327 176.8193 26 N 4.6976 7.6739 120.1914 51.1234 38.1912 173.9593 27 P 4.6673 0.0000 0.0000 64.2941 31.1759 178.0696 28 D 4.3303 8.0427 117.5098 57.6960 41.1095 177.3945 29 C 4.3856 7.6621 113.3162 58.5081 37.0158 175.4890 30 D 4.2497 8.1102 120.8684 57.0461 40.2676 178.0318 31 E 3.8319 8.3172 120.0179 59.0427 29.5201 178.4429 32 L 3.9389 7.8163 119.9546 58.3849 42.0076 178.8579 33 A 4.6259 7.8510 119.0865 53.5130 18.4713 178.5640 34 D 4.4228 7.5386 116.9358 57.4175 41.6529 177.5896 35 H 4.6055 8.4125 114.2132 56.2158 29.4577 175.0629 36 I 4.7997 7.5553 114.7001 59.3585 40.7049 174.9372 37 G 4.2453 8.7070 112.7213 44.3393 0.0000 172.3427 38 F 4.3979 8.3554 120.3115 58.5565 42.1753 176.1786 39 Q 3.6667 8.4113 115.9365 56.4852 25.4276 173.8176 40 E 4.7809 7.7137 108.9635 55.3066 30.4964 177.1912 41 A 4.3588 8.5058 123.9689 56.2972 19.7290 179.5903 42 Y 3.5448 8.4727 116.8939 60.6261 38.8012 178.6187 43 R 4.1742 8.3115 115.5318 59.2116 29.7375 178.7391 44 R 4.0112 8.1219 117.4387 58.3730 30.1147 177.3589 45 F 4.9423 8.0563 109.6782 56.5153 37.5145 175.0119 46 Y 4.0087 7.3799 116.9132 56.5221 41.2456 174.6609 47 G 3.6616 8.4416 114.2040 45.3170 0.0000 171.9654 48 P 4.3382 0.0000 0.0000 62.7920 30.8872 176.6321 49 V 4.0275 8.0366 115.9244 61.6795 32.5854 175.1173 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 16 L 8.18 4.04 0.00 1.59 1.43 0.94 0.66 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 *18 P 0.00 4.08 0.00 2.04 2.01 0.00 3.61 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.07 0.00 19 K 7.84 4.23 0.00 0.79 1.06 0.00 1.46 0.00 0.00 1.42 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.09 1.12 7.81 20 R 7.54 4.12 0.00 1.78 1.95 0.00 3.07 0.00 0.00 3.08 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 *22 V 8.29 4.20 2.21 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 0.93 0.00 0.00 1.07 0.00 0.00 23 C 8.08 5.20 0.00 3.34 3.22 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 0.00 *25 L 8.14 4.12 0.00 1.71 1.98 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 26 N 7.67 4.70 0.00 2.83 2.94 0.00 0.00 6.79 6.99 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 27 P 0.00 4.67 0.00 2.15 2.13 0.00 3.87 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 28 D 8.04 4.33 0.00 2.46 2.62 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 0.00 0.00 0.00 0.00 29 C 7.66 4.39 0.00 3.35 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 30 D 8.11 4.25 0.00 2.84 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 31 E 8.32 3.83 0.00 2.08 2.03 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 2.16 1.96 0.00 32 L 7.82 3.94 0.00 1.84 1.80 0.78 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.85 4.63 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 34 D 7.54 4.42 0.00 2.74 2.88 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 35 H 8.41 4.61 0.00 3.30 3.50 0.00 5.59 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.56 4.80 2.18 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.06 0.74 0.00 0.00 37 G 8.71 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 0.00 0.00 0.00 0.00 38 F 8.36 4.40 0.00 2.93 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 39 Q 8.41 3.67 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.58 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 40 E 7.71 4.78 0.00 2.12 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 0.00 2.40 2.43 0.00 41 A 8.51 4.36 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.47 3.54 0.00 2.87 2.84 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 0.00 0.00 0.00 43 R 8.31 4.17 0.00 2.11 2.30 0.00 3.11 0.00 0.00 3.41 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.75 0.00 44 R 8.12 4.01 0.00 2.27 2.18 0.00 3.16 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.97 0.00 45 F 8.06 4.94 0.00 3.03 2.99 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 0.00 0.00 0.00 0.00 46 Y 7.38 4.01 0.00 1.73 2.38 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 47 G 8.44 3.66 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 0.00 48 P 0.00 4.34 0.00 2.27 2.22 0.00 3.91 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 2.40 2.18 0.00 49 V 8.04 4.03 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 0.77 0.00 0.00 1.04 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.