NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8381 8.3549 109.7360 45.2225 0.0000 173.2302 2 K 4.1729 8.5055 123.3452 52.7871 32.5991 174.7763 3 K 4.3780 8.2522 123.9853 55.7614 35.2478 176.8672 4 S 4.5924 8.1170 116.1811 57.1049 66.2621 175.0750 5 K 3.9467 8.4049 121.2895 59.5229 31.8581 178.4044 6 A 4.0327 7.9102 120.7290 55.3835 18.4210 179.5858 7 T 3.8399 7.6762 114.2805 66.6263 68.5080 176.8928 8 K 3.9861 8.1782 121.6259 59.3225 32.2589 179.1400 9 K 4.0391 7.9027 118.5353 59.2865 31.9649 179.6515 10 R 3.9326 7.9871 118.4081 59.3056 30.0348 179.1169 11 L 4.0331 8.1483 118.6056 57.6566 41.4043 179.4534 12 A 4.0242 8.0164 120.8994 54.8591 18.2671 179.6765 13 K 3.9289 7.9587 118.1196 59.6777 32.1193 179.1893 14 L 4.0309 7.8238 118.1460 57.7087 41.3389 178.7085 15 D 4.4664 8.1859 118.3349 57.1926 40.7042 177.7875 16 N 4.3803 7.9189 117.7804 56.5714 38.7570 176.9155 17 Q 4.1333 8.1060 118.5345 58.1351 28.7414 176.9896 18 N 4.7339 7.4297 116.5258 52.9573 39.1104 174.4406 19 S 4.6569 6.8444 112.6709 56.4529 64.9038 173.8624 20 R 4.1005 8.0744 121.6861 55.3656 30.6908 176.0868 21 V 3.6091 8.0036 121.4474 61.4616 31.9456 174.0557 22 P 4.1885 0.0000 0.0000 62.6152 31.9558 176.7360 23 A 3.9772 8.8595 123.4872 55.5490 18.5584 180.1126 24 W 4.4155 8.0794 112.8155 59.5336 28.2510 178.6828 25 V 3.4617 7.0274 119.1150 65.8546 30.7771 177.8733 26 M 4.0171 7.5377 117.6834 58.1679 31.2226 178.5536 27 L 4.1133 7.8292 118.5600 57.2055 41.9302 179.0545 28 K 4.0850 8.2304 119.4994 58.7891 32.2935 177.3518 29 T 4.3435 7.9827 106.6105 60.6037 69.4727 173.9852 30 D 4.3076 8.1534 120.3105 55.4388 38.9337 170.7996 31 R 3.7340 7.8736 122.9080 55.5150 30.7470 176.8780 *35 R 3.8160 8.3119 119.0421 56.1072 30.3825 174.7027 36 N 4.5878 8.4078 122.4393 52.3878 39.2212 174.4803 37 H 4.6040 8.6050 122.5731 56.8738 29.3197 176.0055 38 K 4.5710 7.6304 119.0878 55.9361 32.4220 176.5216 39 R 4.0700 8.0331 118.8923 56.0312 30.2800 176.1612 40 R 4.5576 8.4858 122.9796 54.5784 32.6944 173.9045 41 H 4.9598 8.4550 124.3402 53.9247 31.7340 175.5512 42 W 4.1846 8.2102 121.7749 59.1162 28.4419 177.4092 43 R 3.9766 6.5325 117.8553 58.4301 30.0628 177.4890 44 R 3.9287 7.8168 114.9284 58.8561 30.2130 176.8790 45 N 4.8602 7.4678 113.2208 51.6685 40.4171 173.7119 46 D 4.8928 8.3012 118.7659 52.6446 43.6573 175.8471 47 T 4.3595 8.2400 116.1893 60.4572 70.5975 173.4955 48 D 4.5897 8.2101 121.8243 54.4020 42.0521 176.7973 49 E 4.1181 8.6239 118.5235 57.0614 29.0517 174.8192 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 G 8.35 3.84 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 0.00 0.00 0.00 2 K 8.51 4.17 0.00 1.83 1.77 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.43 7.81 3 K 8.25 4.38 0.00 1.85 1.80 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.41 7.81 4 S 8.12 4.59 0.00 4.06 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 5 K 8.40 3.95 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.50 7.81 6 A 7.91 4.03 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 7 T 7.68 3.84 4.39 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 1.21 0.00 0.00 8 K 8.18 3.99 0.00 1.98 1.94 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 9 K 7.90 4.04 0.00 2.04 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.61 7.81 10 R 7.99 3.93 0.00 2.07 1.98 0.00 3.33 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 11 L 8.15 4.03 0.00 1.70 1.72 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.02 4.02 1.44 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 0.00 0.00 0.00 13 K 7.96 3.93 0.00 1.88 1.98 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 14 L 7.82 4.03 0.00 1.85 1.74 0.93 0.89 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 15 D 8.19 4.47 0.00 2.82 2.82 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 0.00 0.00 0.00 16 N 7.92 4.38 0.00 2.81 2.91 0.00 0.00 7.19 6.82 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 17 Q 8.11 4.13 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.17 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 18 N 7.43 4.73 0.00 2.94 2.96 0.00 0.00 7.12 7.30 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 19 S 6.84 4.66 0.00 4.03 3.84 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 20 R 8.07 4.10 0.00 1.77 1.84 0.00 3.21 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 21 V 8.00 3.61 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 0.69 0.00 0.00 0.86 0.00 0.00 22 P 0.00 4.19 0.00 1.67 2.07 0.00 3.51 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.64 0.00 23 A 8.86 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 24 W 8.08 4.42 0.00 3.59 3.32 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 25 V 7.03 3.46 1.75 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 0.82 0.00 0.00 -0.29 0.00 0.00 26 M 7.54 4.02 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.79 0.00 27 L 7.83 4.11 0.00 1.91 1.76 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.23 4.09 0.00 2.07 2.10 0.00 2.13 0.00 0.00 2.01 0.00 0.00 3.15 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.49 7.81 29 T 7.98 4.34 4.23 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 1.25 0.00 0.00 30 D 8.15 4.31 0.00 2.88 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.87 3.73 0.00 1.97 1.94 0.00 3.19 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 *35 R 8.31 3.82 0.00 1.74 1.75 0.00 3.20 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 36 N 8.41 4.59 0.00 2.58 2.68 0.00 0.00 7.26 7.89 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 37 H 8.60 4.60 0.00 3.16 3.32 0.00 5.92 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.63 4.57 0.00 1.67 1.80 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.39 7.81 39 R 8.03 4.07 0.00 1.79 1.88 0.00 3.12 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 40 R 8.49 4.56 0.00 1.73 1.79 0.00 3.25 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 41 H 8.46 4.96 0.00 3.14 3.00 0.00 5.92 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.21 4.18 0.00 3.51 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 43 R 6.53 3.98 0.00 0.67 1.38 0.00 2.58 0.00 0.00 2.95 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.34 0.00 44 R 7.82 3.93 0.00 1.75 1.90 0.00 3.33 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 45 N 7.47 4.86 0.00 2.90 2.74 0.00 0.00 6.81 8.32 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 46 D 8.30 4.89 0.00 2.59 2.50 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 47 T 8.24 4.36 4.26 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 1.24 0.00 0.00 48 D 8.21 4.59 0.00 2.70 2.66 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 49 E 8.62 4.12 0.00 2.15 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 2.19 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.