#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b22 n GLU 17 N 0.00 -1.41 -2.30 5.31 1.02 -1.26 -4.91 120.64 117.09 1b22 n GLU 17 Ca 0.00 1.10 -0.36 0.00 -0.02 0.00 0.00 57.16 57.89 1b22 n GLU 17 Cb 0.00 -4.28 -0.01 0.00 -0.02 0.00 0.00 31.44 27.13 1b22 n GLU 17 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1b22 s GLU 18 N -4.06 3.54 0.35 3.49 2.56 -1.26 -5.05 118.70 118.28 1b22 s GLU 18 Ca 0.06 1.63 0.04 0.00 0.00 0.00 0.00 54.97 56.69 1b22 s GLU 18 Cb -0.02 -2.14 -0.06 0.00 2.00 0.00 0.00 34.13 33.91 1b22 s GLU 18 CO 0.82 -0.70 0.05 -1.12 -0.56 0.00 0.00 175.26 173.75 1b22 s SER 19 N -1.67 2.75 0.19 -1.70 0.01 -1.26 -5.03 113.70 106.98 1b22 s SER 19 Ca 0.69 -1.41 0.00 0.00 1.31 0.00 0.00 55.95 56.54 1b22 s SER 19 Cb -0.24 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 65.91 1b22 s SER 19 CO 0.28 -0.61 0.00 0.33 0.41 0.00 0.00 173.24 173.65 1b22 n PHE 20 N -0.78 -4.97 0.00 2.43 -0.00 -1.26 -5.03 117.46 107.85 1b22 n PHE 20 Ca -0.04 3.00 0.00 0.00 -0.00 0.00 0.00 57.45 60.41 1b22 n PHE 20 Cb 0.67 -3.65 0.00 0.00 -0.00 0.00 0.00 39.48 36.50 1b22 n PHE 20 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1b22 n GLY 21 N 1.97 2.90 0.72 7.13 0.00 -1.26 -5.06 105.19 111.59 1b22 n GLY 21 Ca 0.00 -1.37 -0.06 0.00 0.00 0.00 0.00 46.02 44.59 1b22 n GLY 21 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1b22 n PRO 22 N 1.36 -1.09 -2.72 1.61 -0.04 -1.26 -5.03 135.00 127.83 1b22 n PRO 22 Ca 0.00 -0.37 -0.10 0.00 -0.04 0.00 0.00 63.50 62.99 1b22 n PRO 22 Cb 0.00 -0.31 0.03 0.00 -0.04 0.00 0.00 33.50 33.18 1b22 n PRO 22 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1b22 n GLN 23 N -1.99 1.13 -0.55 0.54 3.00 -1.26 -4.74 117.38 113.51 1b22 n GLN 23 Ca 0.03 -3.17 -0.17 0.00 -0.01 0.00 0.00 57.00 53.68 1b22 n GLN 23 Cb 0.12 -1.22 -0.02 0.00 0.00 0.00 0.00 30.24 29.12 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 -0.05 1.45 0.00 -1.09 -0.04 -1.26 -1.55 135.00 132.45 1b22 n PRO 24 Ca 0.10 -1.20 0.06 0.00 -0.04 0.00 0.00 63.50 62.42 1b22 n PRO 24 Cb 0.80 -2.35 0.30 0.00 -0.04 0.00 0.00 33.50 32.22 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 4.54 0.81 -0.10 0.52 -5.35 -1.26 -3.94 119.36 114.58 1b22 n ILE 25 Ca 0.32 0.20 -0.03 0.00 -0.27 0.00 0.00 62.75 62.98 1b22 n ILE 25 Cb 0.11 -1.00 -0.02 0.00 -1.74 0.00 0.00 39.64 36.99 1b22 n ILE 25 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1b22 n SER 26 N -1.34 -0.24 0.03 7.28 2.88 -1.25 -0.53 113.62 120.44 1b22 n SER 26 Ca 0.05 1.02 -0.02 0.00 -1.33 0.00 0.00 58.87 58.59 1b22 n SER 26 Cb 0.11 -0.36 0.23 0.00 -0.75 0.00 0.00 64.21 63.45 1b22 n SER 26 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1b22 h ARG 27 N 0.00 0.43 0.26 -1.46 2.43 -1.87 -1.08 114.38 113.09 1b22 h ARG 27 Ca 0.04 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 1b22 h ARG 27 Cb 0.09 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1b22 h ARG 27 CO -0.22 0.64 -0.12 -0.07 -1.51 0.00 0.00 179.97 178.69 1b22 h LEU 28 N 0.38 -0.30 0.15 3.80 4.07 -1.02 -2.72 115.31 119.67 1b22 h LEU 28 Ca 0.06 0.01 -0.31 0.00 0.08 0.00 0.00 57.88 57.72 1b22 h LEU 28 Cb 0.62 0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.44 1b22 h LEU 28 CO 0.04 -0.20 -1.48 1.05 -1.08 0.00 0.00 178.44 176.77 1b22 h GLU 29 N -0.37 0.32 0.00 1.13 -0.00 -1.22 -2.51 114.58 111.93 1b22 h GLU 29 Ca -0.04 -0.54 -0.03 0.00 -0.00 0.00 0.00 59.36 58.75 1b22 h GLU 29 Cb 0.27 0.20 -0.00 0.00 -0.00 0.00 0.00 28.75 29.21 1b22 h GLU 29 CO 0.06 1.21 -0.14 0.37 -0.00 0.00 0.00 179.01 180.51 1b22 h GLN 30 N 0.09 0.00 0.00 1.06 4.15 -1.28 0.73 115.11 119.86 1b22 h GLN 30 Ca -0.23 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.19 1b22 h GLN 30 Cb 2.04 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.73 1b22 h GLN 30 CO 0.19 0.14 0.00 0.00 -1.93 0.00 0.00 178.83 177.23 1b22 n GLY 32 N 1.06 0.50 0.00 0.00 0.00 0.24 -5.08 105.19 101.90 1b22 n GLY 32 Ca 0.05 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.36 -0.61 3.06 -0.95 -4.94 119.36 115.56 1b22 n ILE 33 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1b22 n ILE 33 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 1b22 n ILE 33 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 1b22 n ASN 34 N 0.00 0.00 0.27 9.51 4.13 -1.26 -4.80 115.26 123.11 1b22 n ASN 34 Ca 0.00 0.00 0.13 0.00 1.68 0.00 0.00 54.58 56.39 1b22 n ASN 34 Cb 0.00 0.00 0.56 0.00 -1.54 0.00 0.00 39.78 38.80 1b22 n ASN 34 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1b22 h ALA 35 N -1.68 1.72 -1.05 5.41 0.00 -1.97 -3.05 119.26 118.64 1b22 h ALA 35 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1b22 h ALA 35 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1b22 h ALA 35 CO 0.00 -0.65 0.00 0.09 0.00 0.00 0.00 179.25 178.69 1b22 n ASN 36 N -2.91 0.00 -0.11 0.00 4.13 -1.26 -2.52 115.26 112.60 1b22 n ASN 36 Ca 0.01 0.83 -0.01 0.00 1.68 0.00 0.00 54.58 57.09 1b22 n ASN 36 Cb 0.65 -0.33 0.00 0.00 -1.54 0.00 0.00 39.78 38.57 1b22 n ASN 36 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1b22 n ASP 37 N -1.91 -0.20 0.00 6.41 2.03 -1.15 0.21 116.55 121.94 1b22 n ASP 37 Ca 0.00 0.47 0.00 0.00 0.52 0.00 0.00 54.79 55.78 1b22 n ASP 37 Cb 0.00 -0.10 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 1b22 n ASP 37 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1b22 n VAL 38 N -4.38 0.00 -0.00 5.18 0.31 -1.05 -3.17 118.33 115.22 1b22 n VAL 38 Ca 0.02 1.31 -0.15 0.00 -0.01 0.00 0.00 64.34 65.51 1b22 n VAL 38 Cb 0.10 -2.12 -0.14 0.00 -0.91 0.00 0.00 33.84 30.77 1b22 n VAL 38 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1b22 n LYS 39 N -1.75 0.70 -0.05 5.55 0.00 -0.00 -2.55 118.16 120.05 1b22 n LYS 39 Ca 0.00 0.28 -0.10 0.00 -0.00 0.00 0.00 58.31 58.49 1b22 n LYS 39 Cb 0.00 -1.75 -0.04 0.00 -0.00 0.00 0.00 35.03 33.23 1b22 n LYS 39 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1b22 h LYS 40 N 0.04 -0.37 0.09 -1.58 3.11 0.23 0.38 116.57 118.46 1b22 h LYS 40 Ca -0.36 0.03 -0.31 0.00 -2.81 0.00 0.00 60.65 57.20 1b22 h LYS 40 Cb 2.03 0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 33.32 1b22 h LYS 40 CO 0.09 -0.25 -1.67 1.37 -2.81 0.00 0.00 179.45 176.18 1b22 h LEU 41 N -0.39 0.29 -1.19 5.20 8.10 -1.57 -3.26 115.31 122.48 1b22 h LEU 41 Ca 0.11 -0.49 -0.07 0.00 0.11 0.00 0.00 57.88 57.55 1b22 h LEU 41 Cb 0.58 -0.09 -0.01 0.00 -0.44 0.00 0.00 40.66 40.70 1b22 h LEU 41 CO -0.46 1.42 -0.16 -0.08 -4.11 0.00 0.00 178.44 175.05 1b22 h GLU 42 N 0.05 0.37 0.00 0.17 4.81 -1.38 0.31 114.58 118.91 1b22 h GLU 42 Ca -0.29 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 1b22 h GLU 42 Cb 2.01 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 31.35 1b22 h GLU 42 CO 0.12 0.53 0.00 0.39 -0.73 0.00 0.00 179.01 179.32 1b22 n GLU 43 N -4.21 0.00 0.00 1.92 1.02 0.13 -4.46 120.64 115.04 1b22 n GLU 43 Ca -0.00 0.79 0.00 0.00 -0.02 0.00 0.00 57.16 57.93 1b22 n GLU 43 Cb 0.32 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 1b22 n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1b22 n ALA 44 N -2.43 1.60 0.00 0.62 0.00 -1.21 -5.02 120.51 114.07 1b22 n ALA 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1b22 n ALA 44 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.59 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 2.04 1.49 0.04 0.00 0.00 0.11 -5.00 105.19 103.86 1b22 n GLY 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.57 1.61 3.01 -1.23 -4.64 117.46 115.64 1b22 n PHE 46 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.07 1b22 n PHE 46 Cb 0.00 -0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.36 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 -0.44 0.00 -0.83 1.38 1.44 -1.26 -4.27 115.22 111.23 1b22 n HIS 47 Ca 0.00 -0.43 0.00 0.00 -2.01 0.00 0.00 57.72 55.28 1b22 n HIS 47 Cb 0.01 -0.71 0.00 0.00 0.12 0.00 0.00 29.99 29.41 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 6.53 0.00 -0.43 0.61 5.66 -1.26 -3.90 114.28 121.49 1b22 n THR 48 Ca 0.41 0.00 0.32 0.00 -3.05 0.00 0.00 64.05 61.73 1b22 n THR 48 Cb 0.40 0.00 0.50 0.00 -1.55 0.00 0.00 70.33 69.68 1b22 n THR 48 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 1b22 n VAL 49 N 0.93 0.00 -0.38 1.08 0.24 -0.60 -1.33 118.33 118.27 1b22 n VAL 49 Ca 0.00 0.92 0.34 0.00 -2.04 0.00 0.00 64.34 63.56 1b22 n VAL 49 Cb 0.00 -1.54 0.52 0.00 -1.47 0.00 0.00 33.84 31.35 1b22 n VAL 49 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1b22 n GLU 50 N -3.15 0.01 -0.55 7.34 -0.58 -1.26 -1.15 120.64 121.29 1b22 n GLU 50 Ca 0.27 0.89 0.44 0.00 -0.42 0.00 0.00 57.16 58.34 1b22 n GLU 50 Cb 1.24 -2.13 0.70 0.00 -0.57 0.00 0.00 31.44 30.68 1b22 n GLU 50 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1b22 n ALA 51 N -2.41 1.53 -3.18 0.62 0.00 -0.44 -1.64 120.51 114.98 1b22 n ALA 51 Ca 0.28 0.72 -0.19 0.00 0.00 0.00 0.00 53.44 54.25 1b22 n ALA 51 Cb 1.49 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 1b22 n ALA 51 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1b22 n VAL 52 N -4.21 -0.11 -3.54 0.00 0.24 -0.30 -4.49 118.33 105.93 1b22 n VAL 52 Ca 0.40 -4.57 -0.11 0.00 -2.04 0.00 0.00 64.34 58.02 1b22 n VAL 52 Cb 1.68 -0.46 -0.02 0.00 -1.47 0.00 0.00 33.84 33.56 1b22 n VAL 52 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b22 s ALA 53 N -2.35 -1.45 0.00 2.33 0.00 -0.65 -5.00 121.76 114.65 1b22 s ALA 53 Ca 0.40 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.62 1b22 s ALA 53 Cb 0.33 0.87 0.00 0.00 0.00 0.00 0.00 23.12 24.32 1b22 s ALA 53 CO -0.08 -0.82 0.00 0.66 0.00 0.00 0.00 175.76 175.52 1b22 n TYR 54 N -0.39 0.00 -4.46 0.00 4.01 -1.26 -4.64 117.16 110.42 1b22 n TYR 54 Ca -0.14 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.36 1b22 n TYR 54 Cb 0.64 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.57 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 -0.27 2.83 0.14 -0.72 0.00 -1.26 -5.11 121.76 117.37 1b22 s ALA 55 Ca 0.00 -1.89 -0.30 0.00 0.00 0.00 0.00 51.96 49.77 1b22 s ALA 55 Cb 0.00 -0.29 -0.07 0.00 0.00 0.00 0.00 23.12 22.77 1b22 s ALA 55 CO 0.00 0.25 1.13 -1.25 0.00 0.00 0.00 175.76 175.89 1b22 s PRO 56 N -3.54 4.54 0.57 0.00 0.04 -1.26 -4.81 135.00 130.53 1b22 s PRO 56 Ca 0.31 1.73 0.31 0.00 0.04 0.00 0.00 61.00 63.39 1b22 s PRO 56 Cb -0.04 -3.30 1.43 0.00 0.04 0.00 0.00 34.50 32.63 1b22 s PRO 56 CO 0.16 -0.04 1.81 1.57 0.04 0.00 0.00 177.00 180.54 1b22 h LYS 57 N 5.68 0.00 0.00 4.56 -0.00 -1.92 0.87 116.57 125.75 1b22 h LYS 57 Ca -0.43 0.00 -0.06 0.00 -0.00 0.00 0.00 60.65 60.16 1b22 h LYS 57 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.43 1b22 h LYS 57 CO 0.75 0.00 -0.29 -0.22 -0.00 0.00 0.00 179.45 179.69 1b22 h LYS 58 N 0.00 0.00 0.00 0.07 3.11 -1.91 -2.39 116.57 115.45 1b22 h LYS 58 Ca 0.36 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 58.16 1b22 h LYS 58 Cb 1.70 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.92 1b22 h LYS 58 CO -0.00 0.29 -0.22 1.49 -2.81 0.00 0.00 179.45 178.19 1b22 h GLU 59 N 0.00 0.00 0.22 1.90 4.81 0.39 -2.93 114.58 118.98 1b22 h GLU 59 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1b22 h GLU 59 Cb 0.85 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.20 1b22 h GLU 59 CO 0.04 0.71 -0.44 1.25 -0.73 0.00 0.00 179.01 179.84 1b22 h LEU 60 N -1.00 -1.28 -1.63 1.64 5.85 -1.48 0.21 115.31 117.62 1b22 h LEU 60 Ca -0.05 0.12 0.36 0.00 0.84 0.00 0.00 57.88 59.15 1b22 h LEU 60 Cb 0.78 0.45 -0.09 0.00 0.37 0.00 0.00 40.66 42.18 1b22 h LEU 60 CO -0.03 -0.50 0.85 0.16 -0.34 0.00 0.00 178.44 178.57 1b22 h ILE 61 N -0.72 0.33 0.00 4.05 -0.00 -1.59 1.34 117.51 120.94 1b22 h ILE 61 Ca -0.02 -0.05 0.00 0.00 -0.00 0.00 0.00 64.86 64.78 1b22 h ILE 61 Cb 0.68 0.17 0.00 0.00 -0.00 0.00 0.00 36.82 37.66 1b22 h ILE 61 CO -0.17 0.03 0.33 -3.20 -0.00 0.00 0.00 178.15 175.14 1b22 n ASN 62 N -4.44 0.30 0.00 2.16 2.85 0.75 -0.89 115.26 115.99 1b22 n ASN 62 Ca 0.30 0.52 0.00 0.00 -0.11 0.00 0.00 54.58 55.29 1b22 n ASN 62 Cb 1.25 -0.45 0.00 0.00 1.24 0.00 0.00 39.78 41.81 1b22 n ASN 62 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1b22 n ILE 63 N -1.99 0.00 0.29 -1.44 5.41 0.46 -3.36 119.36 118.73 1b22 n ILE 63 Ca -0.01 0.42 0.17 0.00 1.00 0.00 0.00 62.75 64.33 1b22 n ILE 63 Cb 0.35 -1.34 0.86 0.00 -0.71 0.00 0.00 39.64 38.79 1b22 n ILE 63 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1b22 h LYS 64 N 0.00 0.00 0.00 0.38 1.79 -1.78 -3.43 116.57 113.52 1b22 h LYS 64 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1b22 h LYS 64 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1b22 h LYS 64 CO 0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 1b22 n GLY 65 N -1.26 1.52 0.00 3.86 0.00 -0.66 -5.12 105.19 103.54 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 -0.98 0.00 0.00 -0.61 -0.00 -0.07 -4.90 119.36 112.80 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 -1.54 -0.00 0.00 0.00 176.55 175.01 1b22 n SER 67 N 0.00 0.00 0.27 4.38 3.41 -1.26 -4.42 113.62 115.99 1b22 n SER 67 Ca 0.00 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.77 1b22 n SER 67 Cb 0.00 0.00 0.84 0.00 -0.26 0.00 0.00 64.21 64.79 1b22 n SER 67 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1b22 h GLU 68 N 0.00 0.00 0.00 4.33 4.81 -1.95 -2.63 114.58 119.14 1b22 h GLU 68 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1b22 h GLU 68 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1b22 h GLU 68 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.28 1b22 n ALA 69 N -1.88 -0.01 -0.03 2.92 0.00 -1.26 -1.81 120.51 118.45 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 0.18 0.20 -0.13 0.00 0.00 0.00 0.00 19.45 19.69 1b22 n ALA 69 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1b22 h LYS 70 N 0.00 0.18 -0.96 0.00 -0.00 -1.93 -2.88 116.57 110.97 1b22 h LYS 70 Ca 0.00 -0.30 0.22 0.00 -0.00 0.00 0.00 60.65 60.57 1b22 h LYS 70 Cb 0.00 0.11 -0.12 0.00 -0.00 0.00 0.00 32.23 32.22 1b22 h LYS 70 CO 0.00 1.14 0.53 0.00 -0.00 0.00 0.00 179.45 181.12 1b22 h ALA 71 N -0.14 1.64 0.00 0.07 0.00 -1.61 0.28 119.26 119.51 1b22 h ALA 71 Ca -0.34 0.13 -0.22 0.00 0.00 0.00 0.00 54.91 54.48 1b22 h ALA 71 Cb 1.69 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.48 1b22 h ALA 71 CO -0.01 -0.25 -1.15 0.22 0.00 0.00 0.00 179.25 178.06 1b22 h ASP 72 N 0.56 0.00 -0.08 0.00 3.58 -1.48 -3.13 116.42 115.86 1b22 h ASP 72 Ca 0.60 0.00 0.02 0.00 0.42 0.00 0.00 57.03 58.07 1b22 h ASP 72 Cb 1.10 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.15 1b22 h ASP 72 CO -0.47 0.91 0.08 0.50 -2.88 0.00 0.00 179.24 177.38 1b22 h LYS 73 N 0.00 0.00 0.02 0.28 1.63 -0.25 -1.60 116.57 116.65 1b22 h LYS 73 Ca -0.09 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.52 1b22 h LYS 73 Cb 1.78 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.38 1b22 h LYS 73 CO 0.10 0.00 -1.03 -0.84 -3.45 0.00 0.00 179.45 174.23 1b22 h ILE 74 N 0.00 1.12 -0.21 2.00 3.07 -1.30 -2.64 117.51 119.55 1b22 h ILE 74 Ca 0.04 -2.26 0.06 0.00 1.55 0.00 0.00 64.86 64.25 1b22 h ILE 74 Cb 0.19 2.57 -0.01 0.00 -0.27 0.00 0.00 36.82 39.30 1b22 h ILE 74 CO -0.00 0.46 0.27 -0.07 -1.05 0.00 0.00 178.15 177.76 1b22 h LEU 75 N -0.85 0.00 0.00 0.16 4.07 -1.44 1.41 115.31 118.66 1b22 h LEU 75 Ca -0.27 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.63 1b22 h LEU 75 Cb 1.34 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.07 1b22 h LEU 75 CO -0.11 0.00 -0.59 0.00 -1.08 0.00 0.00 178.44 176.66 1b22 h ALA 76 N 1.66 0.07 0.00 1.53 0.00 -1.41 -2.96 119.26 118.15 1b22 h ALA 76 Ca 0.10 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1b22 h ALA 76 Cb 0.64 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1b22 h ALA 76 CO -0.00 0.43 0.00 0.93 0.00 0.00 0.00 179.25 180.61 1b22 h GLU 77 N -1.00 0.00 0.13 0.00 5.08 -1.14 -2.79 114.58 114.86 1b22 h GLU 77 Ca -0.10 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.93 1b22 h GLU 77 Cb 0.69 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1b22 h GLU 77 CO -0.06 0.00 -1.75 0.00 -1.00 0.00 0.00 179.01 176.20 1b22 h ALA 78 N 2.09 0.33 0.00 3.43 0.00 0.18 -0.43 119.26 124.86 1b22 h ALA 78 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 54.91 53.68 1b22 h ALA 78 Cb 0.44 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1b22 h ALA 78 CO 0.00 1.20 0.00 0.00 0.00 0.00 0.00 179.25 180.45 1b22 h ALA 79 N 0.30 1.00 0.00 0.00 0.00 -1.38 -2.80 119.26 116.38 1b22 h ALA 79 Ca -0.33 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 1b22 h ALA 79 Cb 2.05 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.82 1b22 h ALA 79 CO 0.14 0.00 -1.47 1.17 0.00 0.00 0.00 179.25 179.08 1b22 n LYS 80 N -2.74 0.27 -0.03 0.00 4.81 -1.07 -4.43 118.16 114.98 1b22 n LYS 80 Ca 0.02 0.05 -0.15 0.00 -0.87 0.00 0.00 58.31 57.36 1b22 n LYS 80 Cb 0.34 -1.17 -0.12 0.00 0.02 0.00 0.00 35.03 34.10 1b22 n LYS 80 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1b22 h LEU 81 N 0.00 0.21 -6.16 3.14 6.46 -1.19 -3.38 115.31 114.39 1b22 h LEU 81 Ca -0.19 -0.81 -0.60 0.00 -0.12 0.00 0.00 57.88 56.16 1b22 h LEU 81 Cb 1.29 -0.07 -0.42 0.00 -0.73 0.00 0.00 40.66 40.74 1b22 h LEU 81 CO -0.03 1.00 -0.61 0.55 -0.62 0.00 0.00 178.44 178.73 1b22 n VAL 82 N -4.49 2.29 0.00 1.05 3.14 -1.06 -4.96 118.33 114.30 1b22 n VAL 82 Ca -0.10 -5.20 0.00 0.00 -2.96 0.00 0.00 64.34 56.08 1b22 n VAL 82 Cb 0.52 -2.07 0.00 0.00 -1.06 0.00 0.00 33.84 31.23 1b22 n VAL 82 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1b22 n PRO 83 N 0.83 0.00 -3.74 1.45 -0.04 -1.23 -4.69 135.00 127.58 1b22 n PRO 83 Ca 0.30 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.67 1b22 n PRO 83 Cb 0.41 -0.22 -0.03 0.00 -0.04 0.00 0.00 33.50 33.62 1b22 n PRO 83 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1b22 s MET 84 N -0.03 1.55 0.00 0.54 0.23 -1.26 -4.85 119.30 115.48 1b22 s MET 84 Ca 0.00 -0.86 0.00 0.00 -1.03 0.00 0.00 55.69 53.80 1b22 s MET 84 Cb 0.00 0.57 0.00 0.00 -1.53 0.00 0.00 34.83 33.87 1b22 s MET 84 CO 0.00 -0.69 0.00 0.41 -2.03 0.00 0.00 175.02 172.71