#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b22 s GLU 17 N 0.00 -0.01 2.21 3.44 2.02 -1.26 -5.10 118.70 120.00 1b22 s GLU 17 Ca 0.00 0.23 0.00 0.00 0.02 0.00 0.00 54.97 55.22 1b22 s GLU 17 Cb 0.00 -0.24 0.00 0.00 0.10 0.00 0.00 34.13 33.99 1b22 s GLU 17 CO 0.00 -0.17 0.00 -1.91 0.02 0.00 0.00 175.26 173.20 1b22 n GLU 18 N 4.21 0.00 -3.64 1.61 4.07 -1.26 -4.94 120.64 120.70 1b22 n GLU 18 Ca -0.27 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 56.67 1b22 n GLU 18 Cb 0.50 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.81 1b22 n GLU 18 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1b22 s SER 19 N -4.00 -0.50 -0.14 4.31 0.15 -1.26 -4.97 113.70 107.29 1b22 s SER 19 Ca 0.00 0.66 0.16 0.00 0.70 0.00 0.00 55.95 57.47 1b22 s SER 19 Cb 0.00 0.65 0.31 0.00 -1.71 0.00 0.00 66.02 65.27 1b22 s SER 19 CO 0.00 -0.44 1.16 2.22 1.20 0.00 0.00 173.24 177.38 1b22 n PHE 20 N 1.56 0.00 0.00 3.44 1.16 -1.26 -5.01 117.46 117.34 1b22 n PHE 20 Ca -0.18 -1.05 0.00 0.00 -1.87 0.00 0.00 57.45 54.34 1b22 n PHE 20 Cb 0.56 -0.17 0.00 0.00 -1.61 0.00 0.00 39.48 38.27 1b22 n PHE 20 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1b22 n GLY 21 N -1.23 2.99 3.86 4.97 0.00 -1.26 -5.11 105.19 109.40 1b22 n GLY 21 Ca 0.16 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 1b22 n GLY 21 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b22 s PRO 22 N 4.42 3.82 -0.24 1.61 0.04 -1.26 -5.01 135.00 138.38 1b22 s PRO 22 Ca 0.00 0.82 0.21 0.00 0.04 0.00 0.00 61.00 62.07 1b22 s PRO 22 Cb 0.00 -2.16 0.49 0.00 0.04 0.00 0.00 34.50 32.88 1b22 s PRO 22 CO 0.00 -0.32 1.13 1.04 0.04 0.00 0.00 177.00 178.88 1b22 n GLN 23 N -1.88 1.84 -0.49 4.56 3.00 -1.26 -4.85 117.38 118.30 1b22 n GLN 23 Ca 0.06 -3.47 -0.16 0.00 -0.01 0.00 0.00 57.00 53.42 1b22 n GLN 23 Cb 0.54 -1.57 -0.01 0.00 0.00 0.00 0.00 30.24 29.20 1b22 n GLN 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1b22 n PRO 24 N -0.53 1.30 0.00 -1.09 -0.04 -1.26 -1.11 135.00 132.28 1b22 n PRO 24 Ca 0.12 -1.13 0.08 0.00 -0.04 0.00 0.00 63.50 62.53 1b22 n PRO 24 Cb 0.85 -2.31 0.44 0.00 -0.04 0.00 0.00 33.50 32.44 1b22 n PRO 24 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1b22 n ILE 25 N 4.60 0.42 0.00 0.52 -5.35 -1.26 -4.11 119.36 114.18 1b22 n ILE 25 Ca 0.29 0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.88 1b22 n ILE 25 Cb 0.10 -0.83 0.00 0.00 -1.74 0.00 0.00 39.64 37.17 1b22 n ILE 25 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1b22 n SER 26 N -1.23 0.00 -0.29 7.28 3.41 -1.23 -0.66 113.62 120.89 1b22 n SER 26 Ca 0.09 0.58 0.30 0.00 -0.26 0.00 0.00 58.87 59.58 1b22 n SER 26 Cb 0.12 -0.08 0.67 0.00 -0.26 0.00 0.00 64.21 64.66 1b22 n SER 26 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1b22 h ARG 27 N 0.00 0.12 0.00 4.33 2.43 -1.85 0.79 114.38 120.20 1b22 h ARG 27 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1b22 h ARG 27 Cb 0.00 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1b22 h ARG 27 CO 0.00 0.08 0.00 1.28 -1.51 0.00 0.00 179.97 179.82 1b22 n LEU 28 N -4.33 0.00 0.06 3.80 7.99 0.17 -2.67 117.00 122.01 1b22 n LEU 28 Ca 0.24 0.60 -0.04 0.00 -0.01 0.00 0.00 56.01 56.80 1b22 n LEU 28 Cb 1.08 -0.10 -0.09 0.00 -0.11 0.00 0.00 43.42 44.20 1b22 n LEU 28 CO 0.36 -0.10 0.02 1.05 -1.51 0.00 0.00 177.39 177.20 1b22 h GLU 29 N 0.00 0.00 -0.07 3.23 -0.00 -1.10 -3.00 114.58 113.65 1b22 h GLU 29 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 59.36 59.31 1b22 h GLU 29 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.74 1b22 h GLU 29 CO 0.00 0.69 -0.20 0.37 -0.00 0.00 0.00 179.01 179.87 1b22 h GLN 30 N 0.00 0.12 0.00 1.06 -0.00 0.52 -0.60 115.11 116.20 1b22 h GLN 30 Ca -0.09 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.53 1b22 h GLN 30 Cb 1.71 -0.01 0.00 0.00 0.00 0.00 0.00 27.48 29.18 1b22 h GLN 30 CO 0.09 0.32 0.00 0.00 0.00 0.00 0.00 178.83 179.24 1b22 n GLY 32 N 1.24 0.58 0.00 0.00 0.00 -0.24 -5.09 105.19 101.68 1b22 n GLY 32 Ca 0.06 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1b22 n GLY 32 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1b22 n ILE 33 N 0.00 0.00 -0.00 -0.61 0.13 -1.13 -4.96 119.36 112.79 1b22 n ILE 33 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1b22 n ILE 33 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 1b22 n ILE 33 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 1b22 n ASN 34 N 0.00 0.00 0.27 9.51 5.15 -1.26 -4.80 115.26 124.13 1b22 n ASN 34 Ca 0.00 0.00 0.09 0.00 -0.60 0.00 0.00 54.58 54.07 1b22 n ASN 34 Cb 0.00 0.00 0.69 0.00 -0.53 0.00 0.00 39.78 39.94 1b22 n ASN 34 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1b22 h ALA 35 N -1.99 1.89 -2.06 5.20 0.00 -1.95 -3.29 119.26 117.06 1b22 h ALA 35 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1b22 h ALA 35 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1b22 h ALA 35 CO 0.00 0.01 0.00 0.09 0.00 0.00 0.00 179.25 179.35 1b22 n ASN 36 N -4.38 0.00 -0.14 0.00 3.02 -1.26 -1.65 115.26 110.84 1b22 n ASN 36 Ca -0.03 0.65 -0.03 0.00 -0.03 0.00 0.00 54.58 55.14 1b22 n ASN 36 Cb 0.10 -0.15 -0.03 0.00 -0.61 0.00 0.00 39.78 39.09 1b22 n ASN 36 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1b22 n ASP 37 N -1.61 -0.33 0.00 6.41 -0.08 -1.24 0.20 116.55 119.90 1b22 n ASP 37 Ca 0.00 0.59 0.00 0.00 -1.51 0.00 0.00 54.79 53.87 1b22 n ASP 37 Cb 0.00 -0.08 0.00 0.00 2.34 0.00 0.00 41.12 43.38 1b22 n ASP 37 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1b22 n VAL 38 N -4.42 0.00 -0.05 5.18 0.31 -0.66 -3.11 118.33 115.58 1b22 n VAL 38 Ca 0.01 1.48 -0.21 0.00 -0.01 0.00 0.00 64.34 65.61 1b22 n VAL 38 Cb 0.09 -2.24 -0.13 0.00 -0.91 0.00 0.00 33.84 30.65 1b22 n VAL 38 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1b22 h LYS 39 N 0.00 0.13 -0.54 5.55 1.79 -0.19 -2.96 116.57 120.35 1b22 h LYS 39 Ca 0.00 -0.21 0.10 0.00 -2.18 0.00 0.00 60.65 58.35 1b22 h LYS 39 Cb 0.00 0.08 -0.11 0.00 -1.58 0.00 0.00 32.23 30.62 1b22 h LYS 39 CO 0.00 1.10 -0.32 0.87 -1.08 0.00 0.00 179.45 180.03 1b22 h LYS 40 N -0.58 -0.17 0.00 3.15 1.79 0.21 -2.37 116.57 118.60 1b22 h LYS 40 Ca -0.33 0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.15 1b22 h LYS 40 Cb 1.56 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 32.25 1b22 h LYS 40 CO -0.06 -0.11 -0.87 1.37 -1.08 0.00 0.00 179.45 178.71 1b22 h LEU 41 N -0.17 0.00 0.07 2.94 8.10 -1.54 -2.98 115.31 121.73 1b22 h LEU 41 Ca 0.22 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.21 1b22 h LEU 41 Cb 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.76 1b22 h LEU 41 CO -0.63 0.01 -0.04 -0.08 -4.11 0.00 0.00 178.44 173.59 1b22 h GLU 42 N 0.00 -0.10 -1.18 0.17 4.57 -1.25 -1.29 114.58 115.50 1b22 h GLU 42 Ca -0.00 0.01 0.34 0.00 -1.18 0.00 0.00 59.36 58.53 1b22 h GLU 42 Cb 1.01 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.58 1b22 h GLU 42 CO 0.00 -0.06 1.23 -0.85 -1.18 0.00 0.00 179.01 178.15 1b22 n GLU 43 N -3.34 0.01 0.01 1.92 -0.00 -1.11 -4.21 120.64 113.92 1b22 n GLU 43 Ca -0.01 1.01 0.00 0.00 -0.00 0.00 0.00 57.16 58.16 1b22 n GLU 43 Cb 0.04 -2.48 0.00 0.00 -0.00 0.00 0.00 31.44 29.00 1b22 n GLU 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1b22 n ALA 44 N -2.34 1.33 0.00 -1.84 0.00 -1.24 -5.08 120.51 111.34 1b22 n ALA 44 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1b22 n ALA 44 Cb 1.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 21.04 1b22 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b22 n GLY 45 N -0.17 0.00 0.00 0.00 0.00 -0.49 -5.01 105.19 99.52 1b22 n GLY 45 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1b22 n GLY 45 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1b22 n PHE 46 N 0.00 0.00 -0.36 1.61 3.01 -1.13 -4.50 117.46 116.10 1b22 n PHE 46 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.26 1b22 n PHE 46 Cb 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.43 1b22 n PHE 46 CO 0.00 0.00 0.00 -2.39 1.01 0.00 0.00 176.76 175.38 1b22 n HIS 47 N -0.69 0.39 -0.84 1.38 1.44 -1.26 -4.30 115.22 111.35 1b22 n HIS 47 Ca 0.04 -0.85 0.00 0.00 -2.01 0.00 0.00 57.72 54.89 1b22 n HIS 47 Cb 0.02 -0.91 0.00 0.00 0.12 0.00 0.00 29.99 29.21 1b22 n HIS 47 CO 0.00 0.00 0.00 -2.37 -2.81 0.00 0.00 176.34 171.16 1b22 n THR 48 N 5.51 0.00 -0.38 0.61 5.66 -1.26 -3.57 114.28 120.86 1b22 n THR 48 Ca 0.24 0.00 0.33 0.00 -3.05 0.00 0.00 64.05 61.57 1b22 n THR 48 Cb 0.17 0.00 0.50 0.00 -1.55 0.00 0.00 70.33 69.45 1b22 n THR 48 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1b22 n VAL 49 N 0.62 0.00 -0.53 1.08 3.14 -0.26 -1.39 118.33 120.98 1b22 n VAL 49 Ca 0.00 1.08 0.41 0.00 -2.96 0.00 0.00 64.34 62.87 1b22 n VAL 49 Cb 0.00 -1.86 0.63 0.00 -1.06 0.00 0.00 33.84 31.56 1b22 n VAL 49 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1b22 n GLU 50 N -3.17 0.00 -0.32 1.45 -0.58 -1.26 -0.60 120.64 116.16 1b22 n GLU 50 Ca 0.27 0.88 0.13 0.00 -0.42 0.00 0.00 57.16 58.03 1b22 n GLU 50 Cb 1.40 -2.06 0.28 0.00 -0.57 0.00 0.00 31.44 30.49 1b22 n GLU 50 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1b22 h ALA 51 N 0.76 1.18 -1.89 0.62 0.00 -1.41 -2.68 119.26 115.84 1b22 h ALA 51 Ca 0.73 0.29 -0.51 0.00 0.00 0.00 0.00 54.91 55.42 1b22 h ALA 51 Cb 3.03 0.49 -0.41 0.00 0.00 0.00 0.00 17.79 20.90 1b22 h ALA 51 CO -0.01 -0.54 -0.97 1.55 0.00 0.00 0.00 179.25 179.28 1b22 n VAL 52 N -5.39 1.32 0.03 0.00 3.14 0.23 -3.29 118.33 114.36 1b22 n VAL 52 Ca 0.22 -4.72 -0.01 0.00 -2.96 0.00 0.00 64.34 56.87 1b22 n VAL 52 Cb 0.72 -0.60 -0.00 0.00 -1.06 0.00 0.00 33.84 32.90 1b22 n VAL 52 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1b22 n ALA 53 N -0.02 2.75 -0.04 1.55 0.00 -1.01 -4.98 120.51 118.76 1b22 n ALA 53 Ca 0.26 -0.08 -0.07 0.00 0.00 0.00 0.00 53.44 53.55 1b22 n ALA 53 Cb 0.60 0.19 -0.03 0.00 0.00 0.00 0.00 19.45 20.21 1b22 n ALA 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1b22 n TYR 54 N -3.42 0.00 -4.50 0.00 4.01 -1.26 -5.04 117.16 106.96 1b22 n TYR 54 Ca -0.01 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.41 1b22 n TYR 54 Cb 0.05 -0.26 -0.11 0.00 -0.31 0.00 0.00 39.34 38.71 1b22 n TYR 54 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1b22 s ALA 55 N -2.13 2.91 0.30 -0.72 0.00 -1.26 -5.10 121.76 115.76 1b22 s ALA 55 Ca -0.10 -1.08 -0.29 0.00 0.00 0.00 0.00 51.96 50.49 1b22 s ALA 55 Cb 0.04 -1.02 -0.10 0.00 0.00 0.00 0.00 23.12 22.04 1b22 s ALA 55 CO 0.13 0.61 1.15 -1.25 0.00 0.00 0.00 175.76 176.40 1b22 s PRO 56 N -1.48 4.53 0.57 0.00 0.04 -1.26 -4.48 135.00 132.92 1b22 s PRO 56 Ca 0.17 1.90 0.39 0.00 0.04 0.00 0.00 61.00 63.50 1b22 s PRO 56 Cb -0.11 -3.12 1.46 0.00 0.04 0.00 0.00 34.50 32.77 1b22 s PRO 56 CO 0.07 0.08 1.59 0.87 0.04 0.00 0.00 177.00 179.66 1b22 h LYS 57 N 3.62 0.00 0.00 4.56 1.57 -1.89 2.15 116.57 126.59 1b22 h LYS 57 Ca -0.47 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.28 1b22 h LYS 57 Cb 1.22 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.52 1b22 h LYS 57 CO 0.66 0.00 -0.15 -0.22 -0.57 0.00 0.00 179.45 179.17 1b22 h LYS 58 N 0.00 0.00 0.02 3.15 3.64 -1.90 -2.14 116.57 119.33 1b22 h LYS 58 Ca 0.66 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.95 1b22 h LYS 58 Cb 2.94 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 34.75 1b22 h LYS 58 CO -0.01 0.15 -0.52 1.49 -2.27 0.00 0.00 179.45 178.29 1b22 h GLU 59 N 0.00 0.03 0.62 1.90 4.57 0.32 -3.03 114.58 119.00 1b22 h GLU 59 Ca -0.00 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1b22 h GLU 59 Cb 0.51 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 1b22 h GLU 59 CO 0.02 1.03 -0.46 1.25 -1.18 0.00 0.00 179.01 179.66 1b22 h LEU 60 N -0.92 -1.21 -1.50 1.64 5.85 -1.48 -1.08 115.31 116.61 1b22 h LEU 60 Ca -0.13 0.08 0.34 0.00 0.84 0.00 0.00 57.88 59.01 1b22 h LEU 60 Cb 1.18 0.38 -0.10 0.00 0.37 0.00 0.00 40.66 42.49 1b22 h LEU 60 CO -0.05 -0.67 0.78 0.16 -0.34 0.00 0.00 178.44 178.31 1b22 h ILE 61 N -1.05 0.37 0.00 4.05 -0.00 -1.55 0.95 117.51 120.29 1b22 h ILE 61 Ca -0.08 -0.08 0.00 0.00 -0.00 0.00 0.00 64.86 64.71 1b22 h ILE 61 Cb 0.87 0.13 0.00 0.00 -0.00 0.00 0.00 36.82 37.82 1b22 h ILE 61 CO 0.03 0.04 0.40 -1.13 -0.00 0.00 0.00 178.15 177.49 1b22 h ASN 62 N 0.22 0.00 0.00 2.16 -0.73 -1.06 -0.36 115.58 115.82 1b22 h ASN 62 Ca 0.67 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.84 1b22 h ASN 62 Cb 2.01 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.60 1b22 h ASN 62 CO -0.27 0.00 0.00 -0.38 -0.37 0.00 0.00 177.43 176.41 1b22 n ILE 63 N -2.04 0.00 0.29 2.57 5.41 0.33 -3.13 119.36 122.79 1b22 n ILE 63 Ca -0.01 0.48 0.19 0.00 1.00 0.00 0.00 62.75 64.41 1b22 n ILE 63 Cb 0.42 -1.44 0.96 0.00 -0.71 0.00 0.00 39.64 38.87 1b22 n ILE 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1b22 h LYS 64 N 0.00 0.00 0.00 0.38 3.11 -1.79 -3.44 116.57 114.84 1b22 h LYS 64 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1b22 h LYS 64 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1b22 h LYS 64 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 179.45 177.05 1b22 n GLY 65 N -1.24 1.57 0.00 5.01 0.00 -0.59 -5.12 105.19 104.83 1b22 n GLY 65 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1b22 n GLY 65 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1b22 n ILE 66 N -0.77 0.00 0.00 -0.61 -0.00 -0.25 -4.88 119.36 112.86 1b22 n ILE 66 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1b22 n ILE 66 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 1b22 n ILE 66 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 1b22 n SER 67 N 0.00 0.00 0.23 4.38 2.88 -1.26 -4.42 113.62 115.43 1b22 n SER 67 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 1b22 n SER 67 Cb 0.00 0.00 0.69 0.00 -0.75 0.00 0.00 64.21 64.15 1b22 n SER 67 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1b22 h GLU 68 N 0.00 0.00 0.00 -1.46 3.07 -1.95 -2.91 114.58 111.33 1b22 h GLU 68 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1b22 h GLU 68 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1b22 h GLU 68 CO 0.00 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.61 1b22 n ALA 69 N -1.80 0.00 0.03 3.43 0.00 -1.26 -0.48 120.51 120.43 1b22 n ALA 69 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.21 1b22 n ALA 69 Cb 0.19 0.24 -0.14 0.00 0.00 0.00 0.00 19.45 19.73 1b22 n ALA 69 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1b22 h LYS 70 N 0.00 0.28 0.11 0.00 1.57 -1.97 -3.13 116.57 113.42 1b22 h LYS 70 Ca 0.00 -0.47 0.01 0.00 -1.87 0.00 0.00 60.65 58.31 1b22 h LYS 70 Cb 0.00 0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 1b22 h LYS 70 CO 0.00 1.23 -0.40 0.00 -0.57 0.00 0.00 179.45 179.70 1b22 h ALA 71 N 0.01 -0.90 -0.25 3.86 0.00 -1.57 -2.58 119.26 117.82 1b22 h ALA 71 Ca -0.24 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.65 1b22 h ALA 71 Cb 1.73 0.79 -0.06 0.00 0.00 0.00 0.00 17.79 20.24 1b22 h ALA 71 CO 0.10 -1.00 -0.17 0.22 0.00 0.00 0.00 179.25 178.41 1b22 h ASP 72 N -0.59 -0.55 -1.14 0.00 1.82 -0.93 0.71 116.42 115.76 1b22 h ASP 72 Ca -0.01 0.11 0.33 0.00 -0.39 0.00 0.00 57.03 57.08 1b22 h ASP 72 Cb 0.58 0.28 -0.05 0.00 0.68 0.00 0.00 39.33 40.83 1b22 h ASP 72 CO -0.21 -0.21 1.03 0.50 -1.61 0.00 0.00 179.24 178.74 1b22 h LYS 73 N -0.15 0.00 0.00 0.28 1.63 -1.38 -1.47 116.57 115.48 1b22 h LYS 73 Ca 0.14 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 1b22 h LYS 73 Cb 0.36 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 1b22 h LYS 73 CO -0.34 0.00 -0.02 0.82 -3.45 0.00 0.00 179.45 176.46 1b22 h ILE 74 N 0.00 0.00 -0.64 2.00 5.03 -0.50 -3.07 117.51 120.34 1b22 h ILE 74 Ca 0.54 -0.04 0.18 0.00 -0.12 0.00 0.00 64.86 65.42 1b22 h ILE 74 Cb 2.60 0.00 -0.03 0.00 -3.03 0.00 0.00 36.82 36.36 1b22 h ILE 74 CO -0.01 0.00 0.97 0.17 -0.68 0.00 0.00 178.15 178.61 1b22 h LEU 75 N -0.04 0.00 0.00 1.44 8.10 -1.20 0.56 115.31 124.16 1b22 h LEU 75 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.96 1b22 h LEU 75 Cb 0.02 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.23 1b22 h LEU 75 CO 0.00 0.00 -0.22 0.00 -4.11 0.00 0.00 178.44 174.11 1b22 h ALA 76 N 0.66 0.03 -0.08 0.17 0.00 -1.43 -2.94 119.26 115.67 1b22 h ALA 76 Ca 0.30 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1b22 h ALA 76 Cb 2.24 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 20.19 1b22 h ALA 76 CO -0.00 0.16 -0.30 0.93 0.00 0.00 0.00 179.25 180.04 1b22 h GLU 77 N -1.00 0.14 0.54 0.00 4.39 -0.84 -2.89 114.58 114.93 1b22 h GLU 77 Ca -0.04 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 1b22 h GLU 77 Cb 0.52 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1b22 h GLU 77 CO -0.02 0.43 -0.26 0.00 -1.16 0.00 0.00 179.01 178.00 1b22 h ALA 78 N 1.57 -0.73 -0.55 3.43 0.00 -0.14 -1.54 119.26 121.31 1b22 h ALA 78 Ca 0.02 -0.17 0.16 0.00 0.00 0.00 0.00 54.91 54.92 1b22 h ALA 78 Cb 0.60 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1b22 h ALA 78 CO 0.04 -0.69 0.59 0.00 0.00 0.00 0.00 179.25 179.19 1b22 h ALA 79 N -1.13 2.30 -0.00 0.00 0.00 -1.53 1.80 119.26 120.69 1b22 h ALA 79 Ca -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1b22 h ALA 79 Cb 0.58 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1b22 h ALA 79 CO 0.12 -0.87 -0.57 1.63 0.00 0.00 0.00 179.25 179.56 1b22 n LYS 80 N -3.66 0.34 0.00 0.00 4.76 -1.09 -4.14 118.16 114.36 1b22 n LYS 80 Ca 0.11 -0.24 0.00 0.00 -2.87 0.00 0.00 58.31 55.31 1b22 n LYS 80 Cb 0.79 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.49 1b22 n LYS 80 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1b22 n LEU 81 N -1.13 0.00 -2.88 -0.35 7.94 0.20 -4.84 117.00 115.95 1b22 n LEU 81 Ca 0.07 0.00 -0.24 0.00 -1.11 0.00 0.00 56.01 54.73 1b22 n LEU 81 Cb 0.35 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.28 1b22 n LEU 81 CO 0.34 0.00 0.07 0.55 -1.11 0.00 0.00 177.39 177.24 1b22 n VAL 82 N -1.35 2.17 -2.45 1.96 3.14 0.55 -5.05 118.33 117.30 1b22 n VAL 82 Ca 0.00 -5.08 -0.42 0.00 -2.96 0.00 0.00 64.34 55.87 1b22 n VAL 82 Cb 0.17 -1.01 -0.03 0.00 -1.06 0.00 0.00 33.84 31.92 1b22 n VAL 82 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1b22 s PRO 83 N -3.27 4.32 0.15 1.45 0.04 -1.26 -4.71 135.00 131.74 1b22 s PRO 83 Ca 0.45 1.67 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1b22 s PRO 83 Cb 0.33 -3.60 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1b22 s PRO 83 CO -0.13 -0.50 0.00 -1.33 0.04 0.00 0.00 177.00 175.08 1b22 n MET 84 N 5.52 0.00 0.00 4.56 2.81 -1.26 -5.14 117.12 123.60 1b22 n MET 84 Ca 0.12 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 1b22 n MET 84 Cb 0.46 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.97 1b22 n MET 84 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89