#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 3.58 0.00 -0.72 0.00 -1.26 -4.66 121.76 118.70 1bal s ALA 2 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.51 1bal s ALA 2 Cb 0.00 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.68 1bal s ALA 2 CO 0.00 0.03 0.00 -1.13 0.00 0.00 0.00 175.76 174.66 1bal n SER 3 N 3.70 0.00 0.00 0.00 3.41 -1.26 -5.05 113.62 114.42 1bal n SER 3 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 1bal n SER 3 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 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 -0.52 0.00 -1.74 1.04 4.77 -1.26 -5.02 117.00 114.27 1bal n LEU 4 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 1bal n LEU 4 Cb 0.00 0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.15 1bal n LEU 4 CO 0.00 -0.29 0.30 -0.62 -1.33 0.00 0.00 177.39 175.45 1bal n GLU 5 N -1.88 0.54 0.00 3.23 1.02 -1.26 -5.00 120.64 117.29 1bal n GLU 5 Ca 0.00 -1.61 0.00 0.00 -0.02 0.00 0.00 57.16 55.53 1bal n GLU 5 Cb 0.00 0.09 0.00 0.00 -0.02 0.00 0.00 31.44 31.51 1bal n GLU 5 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1bal n GLU 6 N -0.31 0.00 0.00 3.49 -0.58 -1.26 -4.76 120.64 117.21 1bal n GLU 6 Ca -0.13 0.43 0.00 0.00 -0.42 0.00 0.00 57.16 57.04 1bal n GLU 6 Cb 0.86 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 30.38 1bal n GLU 6 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1bal n GLN 7 N -1.80 3.30 -0.64 3.49 6.02 -1.26 -4.37 117.38 122.12 1bal n GLN 7 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 1bal n GLN 7 Cb 0.00 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.26 1bal n GLN 7 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1bal n ASN 8 N 0.00 -3.41 -0.85 1.08 4.13 -1.26 -4.66 115.26 110.29 1bal n ASN 8 Ca 0.00 0.02 0.12 0.00 1.68 0.00 0.00 54.58 56.41 1bal n ASN 8 Cb 0.00 -2.28 0.26 0.00 -1.54 0.00 0.00 39.78 36.22 1bal n ASN 8 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1bal n ASN 9 N 0.62 2.60 -4.49 6.41 4.13 -1.26 -4.77 115.26 118.49 1bal n ASN 9 Ca -0.01 -1.85 -0.43 0.00 1.68 0.00 0.00 54.58 53.98 1bal n ASN 9 Cb 0.30 -0.08 -0.03 0.00 -1.54 0.00 0.00 39.78 38.42 1bal n ASN 9 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1bal s ASP 10 N -1.79 6.45 0.00 6.41 1.01 -1.26 -4.43 116.67 123.06 1bal s ASP 10 Ca 0.34 -1.50 0.00 0.00 0.71 0.00 0.00 52.55 52.10 1bal s ASP 10 Cb 0.21 -2.47 0.00 0.00 1.01 0.00 0.00 42.92 41.66 1bal s ASP 10 CO 0.31 -1.35 0.00 0.00 0.21 0.00 0.00 175.17 174.33 1bal n ALA 11 N 7.78 0.00 -1.90 5.23 0.00 -1.26 -5.15 120.51 125.21 1bal n ALA 11 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1bal n ALA 11 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1bal n ALA 11 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1bal n LEU 12 N -0.46 0.00 -3.49 0.00 4.77 -1.26 -5.12 117.00 111.44 1bal n LEU 12 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.79 1bal n LEU 12 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1bal n LEU 12 CO 0.00 0.00 -0.21 -0.55 -1.33 0.00 0.00 177.39 175.30 1bal s SER 13 N -1.00 1.54 0.00 -1.43 0.15 -1.26 -4.98 113.70 106.71 1bal s SER 13 Ca 0.00 -0.34 0.01 0.00 0.70 0.00 0.00 55.95 56.32 1bal s SER 13 Cb 0.00 0.34 0.08 0.00 -1.71 0.00 0.00 66.02 64.73 1bal s SER 13 CO 0.00 -0.34 0.55 -2.65 1.20 0.00 0.00 173.24 172.00 1bal n PRO 14 N 5.31 0.05 0.02 5.44 -0.02 -1.26 -0.21 135.00 144.33 1bal n PRO 14 Ca -0.05 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.54 1bal n PRO 14 Cb 0.49 -1.47 -0.07 0.00 -0.02 0.00 0.00 33.50 32.42 1bal n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bal n ALA 15 N -0.97 3.34 0.29 3.55 0.00 -1.26 -4.07 120.51 121.40 1bal n ALA 15 Ca 0.01 -0.46 0.18 0.00 0.00 0.00 0.00 53.44 53.17 1bal n ALA 15 Cb 0.00 -0.87 0.85 0.00 0.00 0.00 0.00 19.45 19.43 1bal n ALA 15 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1bal h ILE 16 N 0.00 0.09 -0.37 0.00 2.10 -1.01 -2.65 117.51 115.67 1bal h ILE 16 Ca 0.00 -0.39 -0.16 0.00 1.08 0.00 0.00 64.86 65.39 1bal h ILE 16 Cb 0.81 1.35 -0.01 0.00 -1.09 0.00 0.00 36.82 37.89 1bal h ILE 16 CO 0.00 0.02 -0.40 0.03 -1.08 0.00 0.00 178.15 176.72 1bal h ARG 17 N 0.00 0.93 0.00 2.19 2.47 -1.73 -2.56 114.38 115.68 1bal h ARG 17 Ca -0.00 -0.50 0.00 0.00 -1.26 0.00 0.00 59.98 58.22 1bal h ARG 17 Cb 0.35 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 1bal h ARG 17 CO 0.00 1.16 0.00 0.54 0.56 0.00 0.00 179.97 182.23 1bal n ARG 18 N -4.06 0.86 -0.10 0.04 5.12 -1.00 -3.43 116.66 114.09 1bal n ARG 18 Ca -0.03 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.66 1bal n ARG 18 Cb 0.55 -1.26 -0.11 0.00 -1.16 0.00 0.00 32.46 30.48 1bal n ARG 18 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1bal n LEU 19 N -0.76 1.97 0.01 0.55 7.94 -0.97 -3.51 117.00 122.23 1bal n LEU 19 Ca 0.11 0.38 0.08 0.00 -1.11 0.00 0.00 56.01 55.47 1bal n LEU 19 Cb 0.05 -0.95 0.36 0.00 0.53 0.00 0.00 43.42 43.41 1bal n LEU 19 CO 0.08 0.40 0.77 0.18 -1.11 0.00 0.00 177.39 177.71 1bal n LEU 20 N -4.29 0.05 0.04 -1.96 4.77 -1.22 -2.12 117.00 112.27 1bal n LEU 20 Ca -0.36 0.51 0.11 0.00 -0.03 0.00 0.00 56.01 56.24 1bal n LEU 20 Cb 0.76 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 41.32 1bal n LEU 20 CO 0.18 -0.23 -0.15 0.00 -1.33 0.00 0.00 177.39 175.86 1bal n ALA 21 N -1.52 3.11 0.96 -1.18 0.00 -1.23 -1.58 120.51 119.06 1bal n ALA 21 Ca 0.04 -0.39 0.12 0.00 0.00 0.00 0.00 53.44 53.20 1bal n ALA 21 Cb 0.20 -0.95 0.16 0.00 0.00 0.00 0.00 19.45 18.85 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 -2.18 0.03 0.00 0.00 2.13 -0.90 -4.18 120.64 115.54 1bal n GLU 22 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 1bal n GLU 22 Cb 0.49 -1.51 0.00 0.00 0.27 0.00 0.00 31.44 30.68 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 -1.55 0.00 -3.12 4.31 8.25 -1.17 -5.07 115.22 116.87 1bal n HIS 23 Ca 0.05 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.41 1bal n HIS 23 Cb 0.34 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.46 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 -1.06 -7.28 -3.94 0.41 4.05 -0.62 -5.03 115.26 101.80 1bal n ASN 24 Ca 0.00 0.02 -0.10 0.00 0.45 0.00 0.00 54.58 54.95 1bal n ASN 24 Cb 0.00 -4.55 -0.11 0.00 1.23 0.00 0.00 39.78 36.35 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 -3.49 2.06 -0.08 1.20 1.43 -1.22 -5.07 118.68 113.51 1bal s LEU 25 Ca 0.12 -0.33 -0.14 0.00 -1.03 0.00 0.00 54.13 52.75 1bal s LEU 25 Cb -0.03 0.19 -0.05 0.00 0.03 0.00 0.00 46.19 46.33 1bal s LEU 25 CO 0.79 -0.25 0.35 -1.81 0.23 0.00 0.00 176.35 175.66 1bal s ASP 26 N -1.13 6.63 0.00 2.29 1.11 -1.26 -4.94 116.67 119.37 1bal s ASP 26 Ca -0.12 0.74 0.20 0.00 0.18 0.00 0.00 52.55 53.54 1bal s ASP 26 Cb -0.08 -2.21 0.84 0.00 1.07 0.00 0.00 42.92 42.54 1bal s ASP 26 CO -0.00 0.22 1.63 0.00 1.18 0.00 0.00 175.17 178.19 1bal n ALA 27 N 2.65 1.90 -0.04 5.23 0.00 -1.26 -3.08 120.51 125.91 1bal n ALA 27 Ca -0.13 -0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.34 1bal n ALA 27 Cb 0.52 -1.32 0.49 0.00 0.00 0.00 0.00 19.45 19.15 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 0.00 0.37 1.40 0.00 0.02 -2.00 -0.33 113.55 113.02 1bal h SER 28 Ca 0.00 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.88 1bal h SER 28 Cb 0.33 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1bal h SER 28 CO 0.00 0.24 -0.62 0.00 -1.14 0.00 0.00 176.83 175.31 1bal h ALA 29 N 1.73 0.72 -2.73 3.77 0.00 -1.97 -3.45 119.26 117.32 1bal h ALA 29 Ca 0.22 -0.35 -0.56 0.00 0.00 0.00 0.00 54.91 54.22 1bal h ALA 29 Cb 0.34 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1bal h ALA 29 CO -0.06 0.43 0.01 0.42 0.00 0.00 0.00 179.25 180.06 1bal s ILE 30 N -3.07 4.87 0.52 0.00 -1.09 -0.13 -5.03 121.20 117.26 1bal s ILE 30 Ca 0.03 1.31 -0.22 0.00 -2.23 0.00 0.00 60.65 59.53 1bal s ILE 30 Cb 0.07 -3.96 -0.06 0.00 -1.58 0.00 0.00 42.46 36.94 1bal s ILE 30 CO 0.75 0.42 1.26 -0.54 -1.23 0.00 0.00 174.94 175.59 1bal s LYS 31 N -0.21 3.37 -0.32 2.79 1.02 -1.26 -4.92 119.74 120.20 1bal s LYS 31 Ca 0.32 1.99 0.16 0.00 0.02 0.00 0.00 55.97 58.46 1bal s LYS 31 Cb -0.19 -2.27 0.45 0.00 -0.52 0.00 0.00 37.83 35.30 1bal s LYS 31 CO 0.18 -0.93 1.26 0.41 -0.92 0.00 0.00 175.35 175.36 1bal n GLY 32 N 0.58 1.73 1.01 -3.33 0.00 -1.26 -4.82 105.19 99.10 1bal n GLY 32 Ca 0.10 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.79 0.96 -0.75 2.61 -2.24 -1.26 -3.11 114.28 109.69 1bal n THR 33 Ca -0.02 -0.01 -0.28 0.00 -2.27 0.00 0.00 64.05 61.47 1bal n THR 33 Cb 0.84 -0.98 0.11 0.00 -2.10 0.00 0.00 70.33 68.19 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 0.54 -2.53 3.57 3.38 0.00 -1.21 -4.39 105.19 104.56 1bal n GLY 34 Ca 0.00 -0.51 -0.16 0.00 0.00 0.00 0.00 46.02 45.35 1bal n GLY 34 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1bal n VAL 35 N -4.01 0.04 0.00 1.61 0.31 -1.26 -0.06 118.33 114.95 1bal n VAL 35 Ca 0.01 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1bal n VAL 35 Cb 0.55 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.48 1bal n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bal n GLY 36 N 6.05 1.36 0.00 2.92 0.00 -1.26 -4.74 105.19 109.53 1bal n GLY 36 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 0.00 1.93 3.88 -0.02 0.00 0.91 -5.09 105.19 106.79 1bal n GLY 37 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1bal n GLY 37 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1bal s ARG 38 N -0.87 3.41 -0.03 1.61 1.70 -1.18 -4.73 118.95 118.87 1bal s ARG 38 Ca 0.00 -0.22 -0.30 0.00 -0.47 0.00 0.00 55.73 54.74 1bal s ARG 38 Cb 0.00 -3.13 -0.03 0.00 -0.57 0.00 0.00 34.95 31.22 1bal s ARG 38 CO 0.00 0.73 1.03 -1.17 -1.08 0.00 0.00 175.30 174.81 1bal s LEU 39 N -1.39 4.33 0.57 -1.89 2.96 -1.26 -3.28 118.68 118.71 1bal s LEU 39 Ca 0.20 1.67 0.05 0.00 -0.22 0.00 0.00 54.13 55.83 1bal s LEU 39 Cb -0.12 -3.57 0.06 0.00 0.50 0.00 0.00 46.19 43.07 1bal s LEU 39 CO 0.10 -0.36 0.78 0.42 -1.32 0.00 0.00 176.35 175.97 1bal s THR 40 N 1.39 2.48 -2.81 3.68 -4.23 -1.26 -5.00 115.64 109.88 1bal s THR 40 Ca 0.52 -0.82 0.25 0.00 -1.18 0.00 0.00 61.69 60.46 1bal s THR 40 Cb -0.21 -2.66 0.32 0.00 1.34 0.00 0.00 72.50 71.29 1bal s THR 40 CO 0.25 0.00 1.43 -1.14 -0.54 0.00 0.00 174.62 174.62 1bal n ARG 41 N -2.31 2.11 -0.86 3.99 0.63 -1.26 -4.04 116.66 114.91 1bal n ARG 41 Ca 0.12 -1.61 -0.01 0.00 -0.92 0.00 0.00 57.85 55.43 1bal n ARG 41 Cb 0.60 -1.47 0.30 0.00 0.45 0.00 0.00 32.46 32.35 1bal n ARG 41 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1bal n GLU 42 N 0.95 3.53 0.00 -0.14 -0.58 -1.26 -4.30 120.64 118.84 1bal n GLU 42 Ca 0.16 -3.06 0.00 0.00 -0.42 0.00 0.00 57.16 53.84 1bal n GLU 42 Cb 0.52 -2.10 0.00 0.00 -0.57 0.00 0.00 31.44 29.28 1bal n GLU 42 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1bal n ASP 43 N -0.23 2.47 -0.02 1.62 9.92 -1.26 -4.74 116.55 124.32 1bal n ASP 43 Ca 0.34 0.00 0.12 0.00 -0.53 0.00 0.00 54.79 54.72 1bal n ASP 43 Cb 1.22 0.40 0.27 0.00 -0.64 0.00 0.00 41.12 42.37 1bal n ASP 43 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1bal n VAL 44 N -0.93 0.00 -0.06 2.53 0.31 -1.26 -4.14 118.33 114.77 1bal n VAL 44 Ca 0.00 -0.01 -0.08 0.00 -0.01 0.00 0.00 64.34 64.24 1bal n VAL 44 Cb 0.10 0.23 -0.08 0.00 -0.91 0.00 0.00 33.84 33.18 1bal n VAL 44 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1bal h GLU 45 N 0.07 -0.00 0.00 5.55 4.11 -1.85 -3.20 114.58 119.26 1bal h GLU 45 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1bal h GLU 45 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1bal h GLU 45 CO 0.00 0.58 0.01 0.36 0.07 0.00 0.00 179.01 180.03 1bal n LYS 46 N -4.69 0.00 -0.08 1.06 2.85 -1.26 -1.95 118.16 114.09 1bal n LYS 46 Ca -0.06 0.18 -0.13 0.00 -1.05 0.00 0.00 58.31 57.25 1bal n LYS 46 Cb 0.28 -1.51 -0.08 0.00 -0.65 0.00 0.00 35.03 33.07 1bal n LYS 46 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 1bal h HIS 47 N 0.00 0.00 -1.90 5.58 2.76 -1.71 -3.47 115.15 116.42 1bal h HIS 47 Ca 0.00 0.00 -0.62 0.00 -2.20 0.00 0.00 60.37 57.55 1bal h HIS 47 Cb 0.02 0.00 0.14 0.00 1.55 0.00 0.00 27.41 29.12 1bal h HIS 47 CO 0.00 0.81 -0.49 1.28 -1.30 0.00 0.00 177.93 178.24 1bal n LEU 48 N -4.56 -0.71 -0.03 0.26 4.77 -0.83 -4.92 117.00 110.99 1bal n LEU 48 Ca -0.18 0.97 -0.00 0.00 -0.03 0.00 0.00 56.01 56.78 1bal n LEU 48 Cb 0.45 -1.05 -0.00 0.00 -2.33 0.00 0.00 43.42 40.49 1bal n LEU 48 CO 0.17 -3.01 -0.01 0.00 -1.33 0.00 0.00 177.39 173.20 1bal h ALA 49 N 0.89 0.00 -1.46 -1.18 0.00 -1.91 -3.48 119.26 112.12 1bal h ALA 49 Ca -0.37 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.56 1bal h ALA 49 Cb 1.41 0.02 -0.22 0.00 0.00 0.00 0.00 17.79 18.99 1bal h ALA 49 CO 0.53 0.02 -0.28 0.15 0.00 0.00 0.00 179.25 179.67 1bal s LYS 50 N -1.33 0.52 0.00 0.00 1.02 -1.26 -5.17 119.74 113.52 1bal s LYS 50 Ca -0.01 1.05 0.00 0.00 0.02 0.00 0.00 55.97 57.03 1bal s LYS 50 Cb 0.00 0.47 0.00 0.00 -0.52 0.00 0.00 37.83 37.78 1bal s LYS 50 CO 0.01 -0.50 0.00 0.00 -0.92 0.00 0.00 175.35 173.94