#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 0.15 -0.01 5.31 2.12 -1.26 -5.02 118.70 119.99 1b22 s GLU 17 Ca 0.00 -0.01 0.05 0.00 0.36 0.00 0.00 54.97 55.38 1b22 s GLU 17 Cb 0.00 0.03 0.14 0.00 0.26 0.00 0.00 34.13 34.56 1b22 s GLU 17 CO 0.00 -0.23 1.11 -1.91 -0.54 0.00 0.00 175.26 173.69 1b22 n GLU 18 N 4.07 2.86 -3.64 4.30 2.13 -1.26 -5.01 120.64 124.09 1b22 n GLU 18 Ca 0.07 -1.80 -0.05 0.00 0.66 0.00 0.00 57.16 56.03 1b22 n GLU 18 Cb 0.62 -1.15 -0.07 0.00 0.27 0.00 0.00 31.44 31.11 1b22 n GLU 18 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1b22 s SER 19 N -1.14 -0.28 0.00 4.31 0.01 -1.26 -4.68 113.70 110.65 1b22 s SER 19 Ca 0.11 0.52 0.09 0.00 1.31 0.00 0.00 55.95 57.99 1b22 s SER 19 Cb 0.07 0.65 0.15 0.00 0.21 0.00 0.00 66.02 67.10 1b22 s SER 19 CO 0.06 -0.09 0.97 0.33 0.41 0.00 0.00 173.24 174.92 1b22 n PHE 20 N 2.25 0.00 0.00 2.43 7.35 -1.26 -5.07 117.46 123.16 1b22 n PHE 20 Ca -0.13 -0.31 0.00 0.00 -0.76 0.00 0.00 57.45 56.25 1b22 n PHE 20 Cb 0.56 0.12 0.00 0.00 0.35 0.00 0.00 39.48 40.52 1b22 n PHE 20 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1b22 n GLY 21 N 0.17 0.61 0.15 7.13 0.00 -1.26 -4.97 105.19 107.02 1b22 n GLY 21 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 1b22 n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b22 h PRO 22 N 0.00 0.54 -3.53 1.61 0.13 -1.96 -3.49 132.00 125.30 1b22 h PRO 22 Ca 0.00 -0.83 -0.20 0.00 -0.87 0.00 0.00 66.00 64.10 1b22 h PRO 22 Cb 0.00 0.30 0.07 0.00 0.13 0.00 0.00 31.00 31.50 1b22 h PRO 22 CO 0.00 1.39 -0.35 0.94 -0.23 0.00 0.00 178.00 179.74 1b22 n GLN 23 N -3.72 -4.08 -0.83 0.86 -0.06 -1.26 -4.48 117.38 103.81 1b22 n GLN 23 Ca -0.14 0.43 -0.31 0.00 -2.00 0.00 0.00 57.00 54.98 1b22 n GLN 23 Cb 1.05 -4.25 -0.04 0.00 -4.06 0.00 0.00 30.24 22.94 1b22 n GLN 23 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 1b22 n PRO 24 N -2.81 1.50 0.00 3.69 -0.04 -1.26 -1.68 135.00 134.40 1b22 n PRO 24 Ca -0.01 -1.50 0.08 0.00 -0.04 0.00 0.00 63.50 62.03 1b22 n PRO 24 Cb 0.53 -2.61 0.49 0.00 -0.04 0.00 0.00 33.50 31.87 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 5.23 0.00 0.00 0.52 -5.35 -1.26 -4.23 119.36 114.27 1b22 n ILE 25 Ca 0.43 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.91 1b22 n ILE 25 Cb 0.25 -0.71 0.00 0.00 -1.74 0.00 0.00 39.64 37.44 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 -0.98 0.00 0.03 7.28 2.88 -1.23 0.58 113.62 122.18 1b22 n SER 26 Ca 0.12 0.64 0.19 0.00 -1.33 0.00 0.00 58.87 58.49 1b22 n SER 26 Cb 0.06 -0.24 0.69 0.00 -0.75 0.00 0.00 64.21 63.97 1b22 n SER 26 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1b22 h ARG 27 N 0.00 0.00 0.00 -1.46 3.08 -1.86 0.68 114.38 114.82 1b22 h ARG 27 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1b22 h ARG 27 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1b22 h ARG 27 CO 0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 1b22 n LEU 28 N -4.38 0.74 0.10 3.04 7.99 0.20 -2.80 117.00 121.87 1b22 n LEU 28 Ca 0.08 0.47 -0.03 0.00 -0.01 0.00 0.00 56.01 56.51 1b22 n LEU 28 Cb 0.55 -0.13 0.02 0.00 -0.11 0.00 0.00 43.42 43.74 1b22 n LEU 28 CO 0.36 -0.13 0.32 1.05 -1.51 0.00 0.00 177.39 177.48 1b22 h GLU 29 N 0.00 0.00 -0.10 3.23 -0.00 -1.29 -2.75 114.58 113.67 1b22 h GLU 29 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 59.36 59.26 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 0.79 -0.39 0.37 -0.00 0.00 0.00 179.01 179.78 1b22 h GLN 30 N 0.00 0.22 0.00 1.06 -0.00 -0.96 -1.90 115.11 113.53 1b22 h GLN 30 Ca -0.01 -0.10 0.00 0.00 -0.00 0.00 0.00 58.65 58.54 1b22 h GLN 30 Cb 1.46 -0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.94 1b22 h GLN 30 CO 0.10 0.59 0.00 0.00 0.00 0.00 0.00 178.83 179.52 1b22 n GLY 32 N 1.28 0.61 0.00 0.00 0.00 -0.72 -5.08 105.19 101.28 1b22 n GLY 32 Ca 0.06 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.13 -0.61 0.13 -1.04 -4.94 119.36 112.77 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 -0.46 2.80 0.00 0.00 176.55 178.89 1b22 n ASN 34 N 0.00 -0.00 -0.34 9.51 0.23 -1.26 -4.72 115.26 118.67 1b22 n ASN 34 Ca 0.00 -0.13 0.36 0.00 -0.53 0.00 0.00 54.58 54.28 1b22 n ASN 34 Cb 0.00 0.00 0.65 0.00 -2.08 0.00 0.00 39.78 38.35 1b22 n ASN 34 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1b22 h ALA 35 N -2.00 3.16 -0.88 -2.53 0.00 -1.96 -1.53 119.26 113.52 1b22 h ALA 35 Ca 0.00 -0.04 0.26 0.00 0.00 0.00 0.00 54.91 55.13 1b22 h ALA 35 Cb 0.00 0.09 -0.16 0.00 0.00 0.00 0.00 17.79 17.72 1b22 h ALA 35 CO 0.00 -1.77 0.09 0.09 0.00 0.00 0.00 179.25 177.65 1b22 n ASN 36 N -3.67 -0.04 0.00 0.00 3.02 -1.26 -1.85 115.26 111.46 1b22 n ASN 36 Ca 0.28 1.48 0.00 0.00 -0.03 0.00 0.00 54.58 56.31 1b22 n ASN 36 Cb 1.51 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 40.12 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 -5.23 0.00 0.39 6.41 -0.08 -0.58 0.21 116.55 117.67 1b22 n ASP 37 Ca 0.23 0.66 -0.18 0.00 -1.51 0.00 0.00 54.79 53.98 1b22 n ASP 37 Cb 0.74 -0.28 -0.09 0.00 2.34 0.00 0.00 41.12 43.83 1b22 n ASP 37 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1b22 h VAL 38 N 0.00 0.23 0.14 5.18 2.07 -1.64 -3.02 116.25 119.20 1b22 h VAL 38 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1b22 h VAL 38 Cb 0.00 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1b22 h VAL 38 CO 0.00 0.00 -0.07 0.11 0.02 0.00 0.00 177.57 177.63 1b22 h LYS 39 N -1.00 -0.18 -0.01 1.57 6.56 -1.29 -2.73 116.57 119.50 1b22 h LYS 39 Ca -0.09 0.01 0.03 0.00 -1.06 0.00 0.00 60.65 59.54 1b22 h LYS 39 Cb 0.79 0.04 -0.06 0.00 -0.57 0.00 0.00 32.23 32.43 1b22 h LYS 39 CO 0.13 0.03 -0.41 0.87 -2.06 0.00 0.00 179.45 178.00 1b22 h LYS 40 N -1.02 -0.54 0.05 3.15 1.57 0.23 -2.45 116.57 117.56 1b22 h LYS 40 Ca -0.02 0.04 -0.30 0.00 -1.87 0.00 0.00 60.65 58.50 1b22 h LYS 40 Cb 0.29 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 1b22 h LYS 40 CO 0.03 -0.36 -1.68 1.37 -0.57 0.00 0.00 179.45 178.24 1b22 h LEU 41 N -0.56 0.15 0.00 2.94 8.10 -1.33 -3.18 115.31 121.43 1b22 h LEU 41 Ca 0.05 -0.29 -0.17 0.00 0.11 0.00 0.00 57.88 57.58 1b22 h LEU 41 Cb 0.65 -0.05 -0.03 0.00 -0.44 0.00 0.00 40.66 40.79 1b22 h LEU 41 CO -0.32 1.25 -0.91 -0.08 -4.11 0.00 0.00 178.44 174.27 1b22 h GLU 42 N 0.03 0.00 0.00 0.17 4.57 -1.45 1.00 114.58 118.89 1b22 h GLU 42 Ca -0.29 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 1b22 h GLU 42 Cb 2.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.59 1b22 h GLU 42 CO 0.10 0.71 0.00 0.39 -1.18 0.00 0.00 179.01 179.03 1b22 n GLU 43 N -3.24 0.33 0.00 1.92 -0.58 -0.92 -4.49 120.64 113.66 1b22 n GLU 43 Ca -0.02 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 1b22 n GLU 43 Cb 0.86 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.23 1b22 n GLU 43 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1b22 n ALA 44 N -1.18 0.00 0.00 0.62 0.00 -1.20 -5.00 120.51 113.74 1b22 n ALA 44 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1b22 n ALA 44 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.96 1.06 2.03 0.00 0.00 0.34 -5.00 105.19 102.67 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 -2.34 1.61 3.72 -1.20 -4.54 117.46 114.72 1b22 n PHE 46 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 1b22 n PHE 46 Cb 0.00 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.29 1b22 n PHE 46 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 176.76 174.32 1b22 n HIS 47 N 2.04 2.71 -3.39 1.38 1.44 -1.26 -4.49 115.22 113.65 1b22 n HIS 47 Ca 0.00 -2.75 0.00 0.00 -2.01 0.00 0.00 57.72 52.96 1b22 n HIS 47 Cb 0.00 -1.77 0.00 0.00 0.12 0.00 0.00 29.99 28.34 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 2.34 0.00 -0.48 0.61 5.66 -1.26 -3.55 114.28 117.60 1b22 n THR 48 Ca 0.45 0.00 0.37 0.00 -3.05 0.00 0.00 64.05 61.82 1b22 n THR 48 Cb 0.32 0.00 0.57 0.00 -1.55 0.00 0.00 70.33 69.66 1b22 n THR 48 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1b22 n VAL 49 N 3.50 -0.02 -0.61 1.08 0.31 -0.67 -0.79 118.33 121.12 1b22 n VAL 49 Ca 0.00 1.07 0.46 0.00 -0.01 0.00 0.00 64.34 65.86 1b22 n VAL 49 Cb 0.00 -1.78 0.71 0.00 -0.91 0.00 0.00 33.84 31.86 1b22 n VAL 49 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1b22 n GLU 50 N -3.43 -0.00 0.08 5.55 1.02 -1.26 0.88 120.64 123.48 1b22 n GLU 50 Ca 0.31 0.94 0.19 0.00 -0.02 0.00 0.00 57.16 58.58 1b22 n GLU 50 Cb 1.39 -2.16 0.58 0.00 -0.02 0.00 0.00 31.44 31.23 1b22 n GLU 50 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1b22 h ALA 51 N 0.87 2.20 -2.21 0.62 0.00 -1.18 -3.21 119.26 116.36 1b22 h ALA 51 Ca 0.81 -0.02 -0.45 0.00 0.00 0.00 0.00 54.91 55.25 1b22 h ALA 51 Cb 3.24 0.03 -0.34 0.00 0.00 0.00 0.00 17.79 20.73 1b22 h ALA 51 CO -0.02 -0.96 -0.75 0.08 0.00 0.00 0.00 179.25 177.60 1b22 s VAL 52 N -4.38 -0.14 0.00 0.00 1.01 0.25 -4.63 120.40 112.51 1b22 s VAL 52 Ca -0.03 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 60.68 1b22 s VAL 52 Cb 0.12 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.65 1b22 s VAL 52 CO 0.40 -0.75 0.00 0.00 0.00 0.00 0.00 175.10 174.75 1b22 n ALA 53 N 4.18 0.00 -2.05 5.51 0.00 -1.21 -4.98 120.51 121.96 1b22 n ALA 53 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.40 1b22 n ALA 53 Cb 0.42 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.93 1b22 n ALA 53 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1b22 n TYR 54 N 0.00 2.03 -3.25 0.00 0.18 -1.26 -4.96 117.16 109.90 1b22 n TYR 54 Ca 0.00 -2.04 0.03 0.00 1.88 0.00 0.00 57.90 57.78 1b22 n TYR 54 Cb 0.00 -0.31 -0.02 0.00 -0.38 0.00 0.00 39.34 38.63 1b22 n TYR 54 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1b22 s ALA 55 N -3.46 -2.52 0.13 -3.48 0.00 -1.26 -5.13 121.76 106.04 1b22 s ALA 55 Ca 0.46 1.85 -0.31 0.00 0.00 0.00 0.00 51.96 53.96 1b22 s ALA 55 Cb 0.39 -2.17 -0.08 0.00 0.00 0.00 0.00 23.12 21.26 1b22 s ALA 55 CO 0.01 -1.26 1.37 -1.25 0.00 0.00 0.00 175.76 174.62 1b22 s PRO 56 N 2.85 4.33 0.50 0.00 0.04 -1.26 -4.72 135.00 136.75 1b22 s PRO 56 Ca 0.10 2.06 0.40 0.00 0.04 0.00 0.00 61.00 63.61 1b22 s PRO 56 Cb -0.13 -3.24 1.59 0.00 0.04 0.00 0.00 34.50 32.76 1b22 s PRO 56 CO -0.18 -0.40 1.62 0.87 0.04 0.00 0.00 177.00 178.94 1b22 h LYS 57 N 6.56 0.03 0.00 4.56 1.57 -1.94 2.18 116.57 129.53 1b22 h LYS 57 Ca -0.43 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.31 1b22 h LYS 57 Cb 1.21 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1b22 h LYS 57 CO 0.85 0.02 -0.21 -0.22 -0.57 0.00 0.00 179.45 179.32 1b22 h LYS 58 N 0.03 0.00 0.09 3.15 3.64 -1.89 -1.83 116.57 119.76 1b22 h LYS 58 Ca 0.85 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 60.08 1b22 h LYS 58 Cb 3.10 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 34.92 1b22 h LYS 58 CO -0.20 0.21 -0.71 1.49 -2.27 0.00 0.00 179.45 177.96 1b22 h GLU 59 N 0.00 0.19 0.71 1.90 4.81 0.33 -2.83 114.58 119.69 1b22 h GLU 59 Ca -0.00 -0.32 -0.03 0.00 -0.13 0.00 0.00 59.36 58.87 1b22 h GLU 59 Cb 0.64 0.12 0.01 0.00 0.63 0.00 0.00 28.75 30.15 1b22 h GLU 59 CO 0.03 1.15 -0.34 1.25 -0.73 0.00 0.00 179.01 180.37 1b22 h LEU 60 N -0.57 -0.81 -1.98 1.64 5.85 -1.41 -2.11 115.31 115.91 1b22 h LEU 60 Ca -0.14 0.03 0.36 0.00 0.84 0.00 0.00 57.88 58.96 1b22 h LEU 60 Cb 1.46 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 42.65 1b22 h LEU 60 CO 0.07 -0.57 0.89 0.16 -0.34 0.00 0.00 178.44 178.64 1b22 h ILE 61 N -0.96 0.38 0.00 4.05 -0.00 -1.49 1.21 117.51 120.70 1b22 h ILE 61 Ca -0.10 -0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.76 1b22 h ILE 61 Cb 0.73 0.37 0.00 0.00 -0.00 0.00 0.00 36.82 37.93 1b22 h ILE 61 CO 0.16 0.00 0.12 -3.20 -0.00 0.00 0.00 178.15 175.23 1b22 n ASN 62 N -4.18 0.08 0.00 2.16 5.15 -0.79 -1.01 115.26 116.68 1b22 n ASN 62 Ca 0.27 0.44 0.00 0.00 -0.60 0.00 0.00 54.58 54.69 1b22 n ASN 62 Cb 1.29 -0.44 0.00 0.00 -0.53 0.00 0.00 39.78 40.10 1b22 n ASN 62 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1b22 n ILE 63 N -1.53 0.00 -0.18 -1.44 5.41 0.42 -3.62 119.36 118.42 1b22 n ILE 63 Ca -0.00 0.86 -0.08 0.00 1.00 0.00 0.00 62.75 64.52 1b22 n ILE 63 Cb 0.12 -1.75 0.06 0.00 -0.71 0.00 0.00 39.64 37.36 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 1.00 0.00 0.38 3.11 -1.79 -3.46 116.57 115.81 1b22 h LYS 64 Ca 0.00 -0.32 0.00 0.00 -2.81 0.00 0.00 60.65 57.52 1b22 h LYS 64 Cb 0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.14 1b22 h LYS 64 CO 0.00 1.00 0.00 0.41 -2.81 0.00 0.00 179.45 178.05 1b22 n GLY 65 N -0.42 0.58 0.00 5.01 0.00 -0.69 -5.15 105.19 104.51 1b22 n GLY 65 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 0.00 0.00 -0.61 -0.00 -0.18 -4.92 119.36 113.65 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 -4.45 113.62 115.40 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 0.67 0.00 -0.75 0.00 0.00 64.21 64.13 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 5.08 -1.96 -3.02 114.58 113.22 1b22 h GLU 68 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1b22 h GLU 68 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1b22 h GLU 68 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1b22 n ALA 69 N -1.78 0.00 0.04 3.43 0.00 -1.26 -0.75 120.51 120.18 1b22 n ALA 69 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.24 1b22 n ALA 69 Cb 0.22 0.19 -0.14 0.00 0.00 0.00 0.00 19.45 19.72 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 0.27 0.15 0.00 1.79 -1.97 -3.10 116.57 113.70 1b22 h LYS 70 Ca 0.00 -0.46 -0.00 0.00 -2.18 0.00 0.00 60.65 58.01 1b22 h LYS 70 Cb 0.00 0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 1b22 h LYS 70 CO 0.00 1.13 -0.13 0.00 -1.08 0.00 0.00 179.45 179.36 1b22 h ALA 71 N 0.34 -0.88 -0.64 3.86 0.00 -1.56 -2.69 119.26 117.68 1b22 h ALA 71 Ca -0.32 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 54.67 1b22 h ALA 71 Cb 2.04 0.36 -0.10 0.00 0.00 0.00 0.00 17.79 20.09 1b22 h ALA 71 CO 0.14 -0.88 0.07 0.22 0.00 0.00 0.00 179.25 178.79 1b22 h ASP 72 N -0.28 -0.15 -1.59 0.00 3.58 -1.11 0.28 116.42 117.15 1b22 h ASP 72 Ca -0.02 0.14 0.47 0.00 0.42 0.00 0.00 57.03 58.04 1b22 h ASP 72 Cb 0.24 0.23 -0.08 0.00 1.72 0.00 0.00 39.33 41.44 1b22 h ASP 72 CO -0.01 -0.07 1.13 0.50 -2.88 0.00 0.00 179.24 177.90 1b22 h LYS 73 N 0.18 0.03 -0.00 0.28 1.63 -1.31 0.51 116.57 117.88 1b22 h LYS 73 Ca 0.34 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.12 1b22 h LYS 73 Cb 0.55 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 1b22 h LYS 73 CO -0.50 0.02 -0.07 0.97 -3.45 0.00 0.00 179.45 176.42 1b22 h ILE 74 N 0.03 1.60 -0.01 2.00 -0.00 -0.12 -3.06 117.51 117.94 1b22 h ILE 74 Ca 0.79 -1.86 0.00 0.00 -0.00 0.00 0.00 64.86 63.80 1b22 h ILE 74 Cb 3.03 2.83 -0.00 0.00 -0.00 0.00 0.00 36.82 42.69 1b22 h ILE 74 CO -0.09 0.49 0.06 -0.07 -0.00 0.00 0.00 178.15 178.54 1b22 h LEU 75 N -0.70 0.00 0.34 2.19 3.38 0.02 0.23 115.31 120.77 1b22 h LEU 75 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1b22 h LEU 75 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1b22 h LEU 75 CO 0.01 0.00 -0.16 0.00 0.09 0.00 0.00 178.44 178.38 1b22 h ALA 76 N 1.89 -0.45 -0.13 1.53 0.00 -0.96 -2.38 119.26 118.76 1b22 h ALA 76 Ca 0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1b22 h ALA 76 Cb 0.12 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1b22 h ALA 76 CO -0.00 -0.49 -0.31 0.93 0.00 0.00 0.00 179.25 179.37 1b22 h GLU 77 N -0.97 0.43 -0.89 0.00 4.39 -1.38 -2.99 114.58 113.17 1b22 h GLU 77 Ca -0.05 -0.30 0.22 0.00 0.34 0.00 0.00 59.36 59.57 1b22 h GLU 77 Cb 0.51 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.15 1b22 h GLU 77 CO 0.08 0.91 0.60 0.00 -1.16 0.00 0.00 179.01 179.44 1b22 h ALA 78 N 0.52 2.35 -0.18 3.43 0.00 -0.67 0.45 119.26 125.16 1b22 h ALA 78 Ca -0.00 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1b22 h ALA 78 Cb 0.92 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1b22 h ALA 78 CO 0.07 -0.63 -0.65 0.00 0.00 0.00 0.00 179.25 178.03 1b22 h ALA 79 N 1.60 0.50 -0.61 0.00 0.00 -1.31 -1.90 119.26 117.55 1b22 h ALA 79 Ca 0.46 -0.56 -0.35 0.00 0.00 0.00 0.00 54.91 54.46 1b22 h ALA 79 Cb 1.29 -0.06 -0.21 0.00 0.00 0.00 0.00 17.79 18.82 1b22 h ALA 79 CO -0.14 0.70 0.11 1.17 0.00 0.00 0.00 179.25 181.09 1b22 n LYS 80 N -3.94 2.19 0.00 0.00 3.00 0.26 -4.42 118.16 115.26 1b22 n LYS 80 Ca -0.05 -3.27 0.00 0.00 -0.00 0.00 0.00 58.31 54.99 1b22 n LYS 80 Cb 0.67 -2.00 0.00 0.00 0.00 0.00 0.00 35.03 33.71 1b22 n LYS 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1b22 n LEU 81 N -1.07 0.00 0.06 3.14 -0.00 0.13 -4.93 117.00 114.34 1b22 n LEU 81 Ca 0.44 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 56.24 1b22 n LEU 81 Cb 1.13 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 44.40 1b22 n LEU 81 CO 0.37 0.00 0.01 0.58 -0.00 0.00 0.00 177.39 178.35 1b22 h VAL 82 N 0.00 1.47 -3.51 1.96 2.07 -1.47 -3.45 116.25 113.32 1b22 h VAL 82 Ca 0.00 -2.54 -0.52 0.00 0.82 0.00 0.00 66.70 64.46 1b22 h VAL 82 Cb 0.00 3.14 -0.00 0.00 -1.52 0.00 0.00 31.29 32.91 1b22 h VAL 82 CO 0.00 0.73 0.46 -2.16 0.02 0.00 0.00 177.57 176.62 1b22 s PRO 83 N -2.50 4.59 0.02 1.57 0.04 -1.26 -4.93 135.00 132.53 1b22 s PRO 83 Ca -0.13 1.66 -0.39 0.00 0.04 0.00 0.00 61.00 62.19 1b22 s PRO 83 Cb 0.02 -3.32 -0.18 0.00 0.04 0.00 0.00 34.50 31.06 1b22 s PRO 83 CO 0.85 0.05 1.23 -0.12 0.04 0.00 0.00 177.00 179.05 1b22 n MET 84 N 2.74 0.58 0.00 4.56 1.56 -1.26 -4.93 117.12 120.36 1b22 n MET 84 Ca 0.04 0.21 0.13 0.00 -0.27 0.00 0.00 57.70 57.80 1b22 n MET 84 Cb 0.47 -1.78 0.77 0.00 2.15 0.00 0.00 33.22 34.83 1b22 n MET 84 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65