#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bal s ALA 2 N 0.00 0.49 0.00 -0.72 0.00 -1.26 -5.02 121.76 115.25 1bal s ALA 2 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1bal s ALA 2 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.22 1bal s ALA 2 CO 0.00 -0.10 0.07 -1.13 0.00 0.00 0.00 175.76 174.60 1bal n SER 3 N 1.27 0.00 0.00 0.00 3.41 -1.26 -4.83 113.62 112.22 1bal n SER 3 Ca -0.22 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.39 1bal n SER 3 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1bal n SER 3 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1bal n LEU 4 N 0.00 0.18 -0.86 1.04 4.77 -1.26 -4.84 117.00 116.04 1bal n LEU 4 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 1bal n LEU 4 Cb 0.34 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.63 1bal n LEU 4 CO 0.00 0.03 0.61 -0.62 -1.33 0.00 0.00 177.39 176.08 1bal n GLU 5 N -1.10 1.90 -1.10 3.23 1.02 -1.26 -5.06 120.64 118.27 1bal n GLU 5 Ca 0.00 -3.07 -0.36 0.00 -0.02 0.00 0.00 57.16 53.71 1bal n GLU 5 Cb 0.07 -1.74 0.06 0.00 -0.02 0.00 0.00 31.44 29.81 1bal n GLU 5 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1bal n GLU 6 N -1.06 0.05 -2.72 3.49 2.13 -1.26 -4.83 120.64 116.43 1bal n GLU 6 Ca 0.26 0.04 -0.43 0.00 0.66 0.00 0.00 57.16 57.69 1bal n GLU 6 Cb 0.89 -1.43 0.01 0.00 0.27 0.00 0.00 31.44 31.17 1bal n GLU 6 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1bal n GLN 7 N 0.48 4.11 -2.73 5.31 6.02 -1.26 -4.59 117.38 124.72 1bal n GLN 7 Ca 0.05 -4.12 -0.05 0.00 -0.01 0.00 0.00 57.00 52.88 1bal n GLN 7 Cb 0.52 -2.69 0.07 0.00 1.02 0.00 0.00 30.24 29.16 1bal n GLN 7 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1bal n ASN 8 N 2.42 0.53 -1.20 1.08 2.85 -1.26 -5.11 115.26 114.56 1bal n ASN 8 Ca 0.32 -2.36 0.00 0.00 -0.11 0.00 0.00 54.58 52.43 1bal n ASN 8 Cb 0.34 -0.09 0.00 0.00 1.24 0.00 0.00 39.78 41.27 1bal n ASN 8 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1bal n ASN 9 N -0.56 0.00 -3.66 1.20 3.02 -1.26 -4.97 115.26 109.03 1bal n ASN 9 Ca 0.02 -0.41 -0.41 0.00 -0.03 0.00 0.00 54.58 53.75 1bal n ASN 9 Cb 0.83 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.00 1bal n ASN 9 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1bal n ASP 10 N -1.23 6.73 -5.00 6.41 8.00 -1.26 -4.96 116.55 125.24 1bal n ASP 10 Ca 0.00 -3.15 -0.19 0.00 0.71 0.00 0.00 54.79 52.16 1bal n ASP 10 Cb 0.00 -1.40 0.04 0.00 -0.02 0.00 0.00 41.12 39.74 1bal n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bal s ALA 11 N -0.63 4.54 0.96 2.24 0.00 -1.26 -5.11 121.76 122.51 1bal s ALA 11 Ca 0.47 -1.89 -0.15 0.00 0.00 0.00 0.00 51.96 50.39 1bal s ALA 11 Cb 0.14 -1.59 0.18 0.00 0.00 0.00 0.00 23.12 21.85 1bal s ALA 11 CO -0.04 -0.65 1.19 -0.51 0.00 0.00 0.00 175.76 175.75 1bal s LEU 12 N -4.57 2.05 0.21 0.00 1.43 -1.26 -5.06 118.68 111.48 1bal s LEU 12 Ca 0.59 0.67 -0.01 0.00 -1.03 0.00 0.00 54.13 54.36 1bal s LEU 12 Cb -0.08 -2.83 -0.04 0.00 0.03 0.00 0.00 46.19 43.27 1bal s LEU 12 CO 0.37 -2.80 0.40 -0.44 0.23 0.00 0.00 176.35 174.10 1bal s SER 13 N -4.33 6.38 0.41 2.29 0.01 -1.26 -4.99 113.70 112.20 1bal s SER 13 Ca 0.68 0.40 0.12 0.00 1.31 0.00 0.00 55.95 58.45 1bal s SER 13 Cb -0.10 -2.01 0.86 0.00 0.21 0.00 0.00 66.02 64.98 1bal s SER 13 CO 0.53 -0.05 1.93 1.55 0.41 0.00 0.00 173.24 177.61 1bal h PRO 14 N 1.93 0.12 0.00 12.44 0.13 -2.04 -2.29 132.00 142.29 1bal h PRO 14 Ca -0.48 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 1bal h PRO 14 Cb 1.19 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1bal h PRO 14 CO 0.68 0.30 -0.12 0.00 -0.23 0.00 0.00 178.00 178.63 1bal h ALA 15 N 1.71 1.12 0.00 -0.56 0.00 -1.97 -2.87 119.26 116.69 1bal h ALA 15 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1bal h ALA 15 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1bal h ALA 15 CO 0.03 0.15 0.50 0.97 0.00 0.00 0.00 179.25 180.90 1bal h ILE 16 N 0.00 0.00 0.04 0.00 2.10 -1.81 0.17 117.51 118.01 1bal h ILE 16 Ca -0.00 0.00 -0.30 0.00 1.08 0.00 0.00 64.86 65.64 1bal h ILE 16 Cb 0.47 0.32 -0.03 0.00 -1.09 0.00 0.00 36.82 36.49 1bal h ILE 16 CO 0.02 0.00 -1.62 0.54 -1.08 0.00 0.00 178.15 176.01 1bal n ARG 17 N -2.38 0.63 -0.31 2.19 1.74 -1.08 -4.07 116.66 113.39 1bal n ARG 17 Ca -0.01 0.45 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 1bal n ARG 17 Cb 0.53 -1.71 0.12 0.00 -1.02 0.00 0.00 32.46 30.37 1bal n ARG 17 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1bal n ARG 18 N -4.09 2.09 -0.09 5.56 1.74 0.43 -3.86 116.66 118.43 1bal n ARG 18 Ca -0.34 -1.00 -0.22 0.00 -0.77 0.00 0.00 57.85 55.52 1bal n ARG 18 Cb 0.82 -1.68 -0.12 0.00 -1.02 0.00 0.00 32.46 30.46 1bal n ARG 18 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1bal n LEU 19 N 0.16 2.51 -0.02 0.55 7.94 -0.13 -3.78 117.00 124.22 1bal n LEU 19 Ca 0.11 0.14 -0.01 0.00 -1.11 0.00 0.00 56.01 55.13 1bal n LEU 19 Cb 0.61 -0.95 0.26 0.00 0.53 0.00 0.00 43.42 43.87 1bal n LEU 19 CO 0.12 0.75 0.89 -0.07 -1.11 0.00 0.00 177.39 177.97 1bal h LEU 20 N -0.34 0.54 0.00 -1.96 3.38 -1.77 -1.19 115.31 113.96 1bal h LEU 20 Ca -0.53 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1bal h LEU 20 Cb 1.79 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.40 1bal h LEU 20 CO -0.13 0.63 0.00 0.00 0.09 0.00 0.00 178.44 179.03 1bal n ALA 21 N -2.48 2.43 0.06 1.53 0.00 -1.26 0.16 120.51 120.95 1bal n ALA 21 Ca 0.01 -0.14 0.11 0.00 0.00 0.00 0.00 53.44 53.43 1bal n ALA 21 Cb 0.28 -1.47 -0.07 0.00 0.00 0.00 0.00 19.45 18.19 1bal n ALA 21 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1bal n GLU 22 N -1.28 0.63 0.00 0.00 2.13 -0.47 -4.41 120.64 117.24 1bal n GLU 22 Ca 0.14 -0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.95 1bal n GLU 22 Cb 0.23 -1.70 0.00 0.00 0.27 0.00 0.00 31.44 30.24 1bal n GLU 22 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1bal n HIS 23 N -2.51 0.00 -4.30 4.31 8.25 -1.09 -5.01 115.22 114.87 1bal n HIS 23 Ca -0.02 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.07 1bal n HIS 23 Cb 0.57 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.63 1bal n HIS 23 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1bal n ASN 24 N -0.03 -2.17 -4.88 0.41 4.05 0.42 -4.90 115.26 108.16 1bal n ASN 24 Ca 0.00 -1.11 -0.33 0.00 0.45 0.00 0.00 54.58 53.59 1bal n ASN 24 Cb 0.16 -2.34 -0.05 0.00 1.23 0.00 0.00 39.78 38.78 1bal n ASN 24 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1bal s LEU 25 N -7.25 4.28 0.08 1.20 1.43 -1.23 -5.06 118.68 112.13 1bal s LEU 25 Ca 0.63 0.79 -0.10 0.00 -1.03 0.00 0.00 54.13 54.41 1bal s LEU 25 Cb -0.35 -3.28 -0.06 0.00 0.03 0.00 0.00 46.19 42.53 1bal s LEU 25 CO 0.96 0.07 0.41 -1.81 0.23 0.00 0.00 176.35 176.21 1bal s ASP 26 N -2.11 6.65 0.00 2.29 1.11 -1.26 -4.93 116.67 118.42 1bal s ASP 26 Ca 0.39 0.81 0.24 0.00 0.18 0.00 0.00 52.55 54.17 1bal s ASP 26 Cb -0.13 -2.18 0.34 0.00 1.07 0.00 0.00 42.92 42.01 1bal s ASP 26 CO 0.21 0.17 1.30 0.00 1.18 0.00 0.00 175.17 178.03 1bal n ALA 27 N 0.92 3.51 0.20 5.23 0.00 -1.26 -3.98 120.51 125.13 1bal n ALA 27 Ca -0.08 -0.51 0.09 0.00 0.00 0.00 0.00 53.44 52.94 1bal n ALA 27 Cb 0.52 -0.97 0.32 0.00 0.00 0.00 0.00 19.45 19.33 1bal n ALA 27 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1bal h SER 28 N 1.37 0.00 0.74 0.00 0.02 -2.05 -3.05 113.55 110.58 1bal h SER 28 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1bal h SER 28 Cb 0.60 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 1bal h SER 28 CO 0.00 0.25 -1.26 0.00 -1.14 0.00 0.00 176.83 174.68 1bal n ALA 29 N -2.20 2.57 -2.71 3.77 0.00 -1.26 -4.86 120.51 115.83 1bal n ALA 29 Ca 0.01 -0.31 -0.40 0.00 0.00 0.00 0.00 53.44 52.74 1bal n ALA 29 Cb 0.52 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.91 1bal n ALA 29 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1bal s ILE 30 N -3.39 5.01 -0.59 0.00 -1.09 -1.16 -5.00 121.20 114.98 1bal s ILE 30 Ca -0.02 1.57 -0.27 0.00 -2.23 0.00 0.00 60.65 59.70 1bal s ILE 30 Cb 0.11 -4.10 0.03 0.00 -1.58 0.00 0.00 42.46 36.92 1bal s ILE 30 CO 0.82 0.23 1.13 -1.59 -1.23 0.00 0.00 174.94 174.30 1bal s LYS 31 N 0.83 3.42 -0.52 2.79 0.00 -1.26 -4.93 119.74 120.07 1bal s LYS 31 Ca 0.40 0.03 -0.38 0.00 0.00 0.00 0.00 55.97 56.03 1bal s LYS 31 Cb -0.18 -4.05 -0.16 0.00 0.00 0.00 0.00 37.83 33.44 1bal s LYS 31 CO 0.20 -1.67 2.26 0.41 0.00 0.00 0.00 175.35 176.54 1bal n GLY 32 N 5.11 0.04 1.72 0.59 0.00 -1.26 -4.75 105.19 106.64 1bal n GLY 32 Ca 0.06 1.04 -0.14 0.00 0.00 0.00 0.00 46.02 46.97 1bal n GLY 32 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bal n THR 33 N 6.97 2.32 0.00 2.61 -2.24 -1.21 -3.48 114.28 119.25 1bal n THR 33 Ca 0.51 -1.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1bal n THR 33 Cb 0.09 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.56 1bal n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bal n GLY 34 N -0.37 -3.08 0.20 3.38 0.00 0.80 -4.81 105.19 101.30 1bal n GLY 34 Ca 0.34 -1.05 0.02 0.00 0.00 0.00 0.00 46.02 45.33 1bal n GLY 34 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1bal h VAL 35 N -0.98 1.26 -1.25 1.61 2.07 -1.92 -3.36 116.25 113.69 1bal h VAL 35 Ca 0.00 -1.24 -0.41 0.00 0.82 0.00 0.00 66.70 65.87 1bal h VAL 35 Cb 0.00 1.62 -0.30 0.00 -1.52 0.00 0.00 31.29 31.09 1bal h VAL 35 CO 0.00 0.36 -0.90 0.61 0.02 0.00 0.00 177.57 177.66 1bal n GLY 36 N -0.48 2.21 2.35 2.17 0.00 -1.26 -4.90 105.19 105.27 1bal n GLY 36 Ca -0.02 -1.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 1bal n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bal n GLY 37 N 0.78 1.27 3.88 -0.02 0.00 -1.25 -4.99 105.19 104.85 1bal n GLY 37 Ca 0.17 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 1bal n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bal s ARG 38 N -3.07 3.79 -0.14 1.61 3.00 -1.23 -4.62 118.95 118.29 1bal s ARG 38 Ca 0.00 0.41 -0.15 0.00 0.00 0.00 0.00 55.73 56.00 1bal s ARG 38 Cb 0.00 -2.46 -0.05 0.00 0.00 0.00 0.00 34.95 32.45 1bal s ARG 38 CO 0.00 0.06 0.34 -1.17 0.00 0.00 0.00 175.30 174.53 1bal s LEU 39 N -3.59 4.27 0.00 2.53 2.96 -1.26 -0.14 118.68 123.45 1bal s LEU 39 Ca 0.50 0.61 0.00 0.00 -0.22 0.00 0.00 54.13 55.02 1bal s LEU 39 Cb -0.10 -2.45 0.00 0.00 0.50 0.00 0.00 46.19 44.13 1bal s LEU 39 CO 0.28 0.10 0.00 0.35 -1.32 0.00 0.00 176.35 175.76 1bal n THR 40 N 3.42 0.00 0.08 3.68 -2.24 -1.26 -4.96 114.28 113.00 1bal n THR 40 Ca -0.11 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.52 1bal n THR 40 Cb 0.52 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.67 1bal n THR 40 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1bal h ARG 41 N 0.00 0.39 -0.11 -0.78 2.43 -2.00 -3.04 114.38 111.26 1bal h ARG 41 Ca 0.00 -0.48 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1bal h ARG 41 Cb 0.00 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1bal h ARG 41 CO 0.00 1.16 0.00 0.39 -1.51 0.00 0.00 179.97 180.01 1bal n GLU 42 N -3.69 0.58 -0.09 0.20 1.02 -1.26 -2.37 120.64 115.02 1bal n GLU 42 Ca -0.08 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.89 1bal n GLU 42 Cb 0.90 -1.06 -0.07 0.00 -0.02 0.00 0.00 31.44 31.19 1bal n GLU 42 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1bal n ASP 43 N -0.36 1.75 -0.05 1.62 8.00 -1.15 -4.25 116.55 122.10 1bal n ASP 43 Ca 0.00 0.13 -0.11 0.00 0.71 0.00 0.00 54.79 55.51 1bal n ASP 43 Cb 0.03 -0.47 -0.10 0.00 -0.02 0.00 0.00 41.12 40.56 1bal n ASP 43 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1bal h VAL 44 N -0.46 1.36 -0.11 2.53 2.07 -1.61 -3.24 116.25 116.80 1bal h VAL 44 Ca -0.45 -1.92 0.03 0.00 0.82 0.00 0.00 66.70 65.18 1bal h VAL 44 Cb 1.48 2.53 -0.00 0.00 -1.52 0.00 0.00 31.29 33.77 1bal h VAL 44 CO -0.22 0.44 0.21 1.05 0.02 0.00 0.00 177.57 179.08 1bal h GLU 45 N -0.96 0.00 0.00 1.57 -0.00 -1.76 0.35 114.58 113.78 1bal h GLU 45 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.33 1bal h GLU 45 Cb 0.74 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.49 1bal h GLU 45 CO 0.00 0.00 -0.15 -0.22 -0.00 0.00 0.00 179.01 178.64 1bal h LYS 46 N 0.00 0.00 0.00 1.06 3.64 -1.73 -2.90 116.57 116.64 1bal h LYS 46 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1bal h LYS 46 Cb 0.48 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1bal h LYS 46 CO -0.00 0.15 0.00 1.25 -2.27 0.00 0.00 179.45 178.58 1bal h HIS 47 N 0.00 0.00 0.00 1.91 2.76 -0.34 -3.37 115.15 116.12 1bal h HIS 47 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1bal h HIS 47 Cb 0.88 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.84 1bal h HIS 47 CO 0.00 0.00 0.00 1.28 -1.30 0.00 0.00 177.93 177.91 1bal n LEU 48 N -2.61 0.22 0.00 0.26 4.77 -1.10 -5.04 117.00 113.50 1bal n LEU 48 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1bal n LEU 48 Cb 0.20 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1bal n LEU 48 CO 0.20 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.26 1bal n ALA 49 N -1.71 0.00 -3.34 -1.18 0.00 -1.21 -5.12 120.51 107.94 1bal n ALA 49 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1bal n ALA 49 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1bal n ALA 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1bal s LYS 50 N 0.92 1.42 0.00 0.00 -2.85 -1.26 -4.87 119.74 113.10 1bal s LYS 50 Ca 0.00 -0.88 0.28 0.00 -1.00 0.00 0.00 55.97 54.37 1bal s LYS 50 Cb 0.00 0.53 1.02 0.00 -2.06 0.00 0.00 37.83 37.32 1bal s LYS 50 CO 0.00 -0.61 1.73 0.00 0.10 0.00 0.00 175.35 176.57