#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bal n ALA 2 N 0.00 -2.06 -2.77 -0.72 0.00 -1.26 -4.96 120.51 108.74 1bal n ALA 2 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1bal n ALA 2 Cb 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 17.80 1bal n ALA 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1bal n SER 3 N 1.57 1.10 -0.04 0.00 7.64 -1.26 -5.07 113.62 117.57 1bal n SER 3 Ca 0.11 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.78 1bal n SER 3 Cb 0.43 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.50 1bal n SER 3 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1bal n LEU 4 N 0.00 2.63 -4.87 -3.43 4.77 -1.26 -4.93 117.00 109.92 1bal n LEU 4 Ca 0.00 0.15 -0.31 0.00 -0.03 0.00 0.00 56.01 55.82 1bal n LEU 4 Cb 0.00 -1.05 -0.04 0.00 -2.33 0.00 0.00 43.42 40.00 1bal n LEU 4 CO 0.00 0.82 0.48 -1.61 -1.33 0.00 0.00 177.39 175.75 1bal s GLU 5 N -2.53 3.84 0.00 3.23 0.41 -1.26 -5.07 118.70 117.32 1bal s GLU 5 Ca -0.26 0.58 0.00 0.00 -0.41 0.00 0.00 54.97 54.88 1bal s GLU 5 Cb 0.07 -2.35 0.00 0.00 -1.78 0.00 0.00 34.13 30.07 1bal s GLU 5 CO 0.71 -0.05 0.00 -0.85 -0.49 0.00 0.00 175.26 174.58 1bal n GLU 6 N -1.21 0.00 -2.85 1.61 0.28 -1.26 -5.07 120.64 112.14 1bal n GLU 6 Ca 0.03 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.60 1bal n GLU 6 Cb 0.54 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.40 1bal n GLU 6 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1bal s GLN 7 N -1.52 3.84 0.00 3.44 -0.21 -1.26 -4.60 119.66 119.35 1bal s GLN 7 Ca 0.00 -2.04 0.23 0.00 0.02 0.00 0.00 55.36 53.57 1bal s GLN 7 Cb 0.00 -5.10 0.38 0.00 1.00 0.00 0.00 33.01 29.30 1bal s GLN 7 CO 0.00 -1.88 1.15 0.09 -2.12 0.00 0.00 175.29 172.54 1bal n ASN 8 N 6.66 0.80 -4.11 5.90 4.13 -1.26 -4.99 115.26 122.39 1bal n ASN 8 Ca 0.33 -2.00 -0.38 0.00 1.68 0.00 0.00 54.58 54.21 1bal n ASN 8 Cb 0.46 -0.24 -0.04 0.00 -1.54 0.00 0.00 39.78 38.42 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 0.44 3.29 -4.51 6.41 5.03 -1.26 -4.89 115.26 119.77 1bal n ASN 9 Ca 0.03 -2.75 -0.43 0.00 0.87 0.00 0.00 54.58 52.30 1bal n ASN 9 Cb 1.10 -1.50 -0.04 0.00 -1.02 0.00 0.00 39.78 38.32 1bal n ASN 9 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1bal s ASP 10 N 5.09 6.32 -0.22 6.41 2.15 -1.26 -4.96 116.67 130.21 1bal s ASP 10 Ca 0.59 -0.42 -0.29 0.00 0.43 0.00 0.00 52.55 52.86 1bal s ASP 10 Cb 0.08 -2.43 0.15 0.00 -0.30 0.00 0.00 42.92 40.42 1bal s ASP 10 CO 0.09 -1.24 1.15 0.00 -0.17 0.00 0.00 175.17 174.99 1bal s ALA 11 N 3.94 -2.01 1.04 3.66 0.00 -1.26 -5.15 121.76 121.97 1bal s ALA 11 Ca 0.29 1.72 -0.23 0.00 0.00 0.00 0.00 51.96 53.75 1bal s ALA 11 Cb -0.13 -1.09 -0.07 0.00 0.00 0.00 0.00 23.12 21.83 1bal s ALA 11 CO 0.18 -0.27 -0.81 1.28 0.00 0.00 0.00 175.76 176.14 1bal n LEU 12 N 0.76 -2.94 -4.87 0.00 4.77 -1.26 -4.93 117.00 108.53 1bal n LEU 12 Ca -0.07 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.58 1bal n LEU 12 Cb 0.58 -0.73 -0.05 0.00 -2.33 0.00 0.00 43.42 40.88 1bal n LEU 12 CO 0.12 -3.19 0.15 -0.44 -1.33 0.00 0.00 177.39 172.69 1bal s SER 13 N -1.35 6.67 0.18 -1.43 0.01 -1.26 -4.99 113.70 111.53 1bal s SER 13 Ca 0.45 0.88 -0.11 0.00 1.31 0.00 0.00 55.95 58.47 1bal s SER 13 Cb -0.02 -2.21 0.10 0.00 0.21 0.00 0.00 66.02 64.10 1bal s SER 13 CO 0.68 0.08 1.77 1.55 0.41 0.00 0.00 173.24 177.73 1bal h PRO 14 N 3.26 0.94 0.00 12.44 0.13 -2.05 -1.57 132.00 145.15 1bal h PRO 14 Ca -0.48 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1bal h PRO 14 Cb 1.18 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1bal h PRO 14 CO 0.68 0.75 0.00 0.00 -0.23 0.00 0.00 178.00 179.19 1bal n ALA 15 N -2.36 1.88 0.21 -0.56 0.00 -1.26 -2.19 120.51 116.24 1bal n ALA 15 Ca 0.05 -0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.53 1bal n ALA 15 Cb 0.13 -1.14 0.33 0.00 0.00 0.00 0.00 19.45 18.76 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 0.40 0.08 0.00 2.10 -1.68 -3.07 117.51 115.34 1bal h ILE 16 Ca 0.00 -1.24 -0.25 0.00 1.08 0.00 0.00 64.86 64.44 1bal h ILE 16 Cb 0.00 1.93 -0.00 0.00 -1.09 0.00 0.00 36.82 37.66 1bal h ILE 16 CO 0.00 0.19 -1.14 0.03 -1.08 0.00 0.00 178.15 176.16 1bal h ARG 17 N 0.00 0.22 -0.33 2.19 2.47 -1.63 -3.13 114.38 114.17 1bal h ARG 17 Ca -0.00 -0.35 0.00 0.00 -1.26 0.00 0.00 59.98 58.37 1bal h ARG 17 Cb 0.92 0.13 0.00 0.00 -1.65 0.00 0.00 29.97 29.36 1bal h ARG 17 CO 0.03 1.14 0.00 0.54 0.56 0.00 0.00 179.97 182.24 1bal n ARG 18 N -3.53 1.65 -0.07 0.04 3.00 -1.18 -3.68 116.66 112.89 1bal n ARG 18 Ca -0.06 -0.87 -0.07 0.00 -0.01 0.00 0.00 57.85 56.83 1bal n ARG 18 Cb 0.97 -1.26 -0.02 0.00 0.00 0.00 0.00 32.46 32.14 1bal n ARG 18 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1bal n LEU 19 N 0.19 1.56 -0.26 0.55 7.94 -1.17 -4.12 117.00 121.69 1bal n LEU 19 Ca 0.08 0.26 -0.01 0.00 -1.11 0.00 0.00 56.01 55.23 1bal n LEU 19 Cb 0.25 -0.67 0.11 0.00 0.53 0.00 0.00 43.42 43.64 1bal n LEU 19 CO 0.06 -0.33 1.14 -0.07 -1.11 0.00 0.00 177.39 177.07 1bal h LEU 20 N -0.77 0.69 0.00 -1.96 3.38 -1.72 0.24 115.31 115.17 1bal h LEU 20 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1bal h LEU 20 Cb 0.77 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1bal h LEU 20 CO 0.00 0.45 0.00 0.00 0.09 0.00 0.00 178.44 178.98 1bal n ALA 21 N -2.34 1.98 -0.12 1.53 0.00 -1.24 -0.78 120.51 119.54 1bal n ALA 21 Ca 0.10 -0.09 -0.21 0.00 0.00 0.00 0.00 53.44 53.25 1bal n ALA 21 Cb 0.16 -1.25 -0.12 0.00 0.00 0.00 0.00 19.45 18.24 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 -1.12 0.65 -0.03 0.00 4.07 0.79 -4.39 120.64 120.61 1bal n GLU 22 Ca 0.10 0.19 0.13 0.00 -0.06 0.00 0.00 57.16 57.51 1bal n GLU 22 Cb 0.08 -1.54 0.28 0.00 -0.06 0.00 0.00 31.44 30.21 1bal n GLU 22 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 1bal n HIS 23 N -3.48 0.07 -3.40 4.31 8.25 -0.80 -4.99 115.22 115.18 1bal n HIS 23 Ca -0.46 -0.03 -0.25 0.00 -0.26 0.00 0.00 57.72 56.72 1bal n HIS 23 Cb 0.97 0.00 0.02 0.00 1.12 0.00 0.00 29.99 32.10 1bal n HIS 23 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1bal n ASN 24 N 0.87 -6.10 -3.66 0.41 3.02 0.04 -4.98 115.26 104.86 1bal n ASN 24 Ca 0.16 -0.22 -0.26 0.00 -0.03 0.00 0.00 54.58 54.24 1bal n ASN 24 Cb 0.49 -2.85 -0.17 0.00 -0.61 0.00 0.00 39.78 36.65 1bal n ASN 24 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1bal s LEU 25 N -3.32 0.56 -0.30 3.41 1.43 -1.23 -5.08 118.68 114.15 1bal s LEU 25 Ca 0.21 -0.57 -0.29 0.00 -1.03 0.00 0.00 54.13 52.46 1bal s LEU 25 Cb -0.03 -0.34 -0.00 0.00 0.03 0.00 0.00 46.19 45.85 1bal s LEU 25 CO 0.85 -0.32 1.36 -1.81 0.23 0.00 0.00 176.35 176.66 1bal s ASP 26 N 2.06 6.58 0.64 2.29 1.11 -1.26 -4.84 116.67 123.25 1bal s ASP 26 Ca 0.02 1.21 0.26 0.00 0.18 0.00 0.00 52.55 54.22 1bal s ASP 26 Cb -0.16 -2.54 1.44 0.00 1.07 0.00 0.00 42.92 42.73 1bal s ASP 26 CO -0.08 -1.16 1.80 0.00 1.18 0.00 0.00 175.17 176.92 1bal h ALA 27 N 9.71 1.38 -0.92 5.23 0.00 -1.99 -0.05 119.26 132.62 1bal h ALA 27 Ca -0.27 0.00 0.25 0.00 0.00 0.00 0.00 54.91 54.89 1bal h ALA 27 Cb 1.11 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 1bal h ALA 27 CO 1.04 -0.38 0.64 1.03 0.00 0.00 0.00 179.25 181.58 1bal h SER 28 N 0.00 0.13 0.58 0.00 0.87 -2.02 0.38 113.55 113.50 1bal h SER 28 Ca 0.00 0.02 -0.22 0.00 -1.23 0.00 0.00 61.79 60.35 1bal h SER 28 Cb 0.77 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.72 1bal h SER 28 CO 0.00 0.04 -0.99 0.00 -0.53 0.00 0.00 176.83 175.35 1bal h ALA 29 N 1.57 0.37 -2.62 6.23 0.00 -1.39 -3.45 119.26 119.96 1bal h ALA 29 Ca 0.45 -0.78 -0.56 0.00 0.00 0.00 0.00 54.91 54.03 1bal h ALA 29 Cb 1.58 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 1bal h ALA 29 CO -0.07 0.94 -0.23 0.42 0.00 0.00 0.00 179.25 180.31 1bal s ILE 30 N -3.04 5.07 0.07 0.00 -1.09 0.13 -5.08 121.20 117.27 1bal s ILE 30 Ca -0.03 0.20 -0.06 0.00 -2.23 0.00 0.00 60.65 58.52 1bal s ILE 30 Cb 0.09 -3.63 -0.05 0.00 -1.58 0.00 0.00 42.46 37.29 1bal s ILE 30 CO 0.85 -0.03 0.33 -0.54 -1.23 0.00 0.00 174.94 174.32 1bal s LYS 31 N -2.77 3.62 -0.70 2.79 1.02 -1.26 -4.87 119.74 117.56 1bal s LYS 31 Ca 0.44 -0.05 -0.23 0.00 0.02 0.00 0.00 55.97 56.14 1bal s LYS 31 Cb -0.12 -2.98 0.07 0.00 -0.52 0.00 0.00 37.83 34.28 1bal s LYS 31 CO 0.24 0.56 1.05 0.20 -0.92 0.00 0.00 175.35 176.48 1bal s GLY 32 N -2.03 1.31 -0.44 -3.33 0.00 -1.26 -4.85 107.32 96.71 1bal s GLY 32 Ca 0.34 -1.82 0.04 0.00 0.00 0.00 0.00 44.72 43.28 1bal s GLY 32 CO 0.20 2.19 1.89 -1.30 0.00 0.00 0.00 173.10 176.08 1bal n THR 33 N 6.01 3.17 -0.30 0.90 -2.24 -1.23 -3.83 114.28 116.77 1bal n THR 33 Ca 0.00 -2.02 -0.29 0.00 -2.27 0.00 0.00 64.05 59.48 1bal n THR 33 Cb 0.46 -0.48 0.27 0.00 -2.10 0.00 0.00 70.33 68.49 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 -1.14 -3.83 0.00 3.38 0.00 0.07 -4.73 105.19 98.94 1bal n GLY 34 Ca 0.58 -1.31 0.04 0.00 0.00 0.00 0.00 46.02 45.33 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 -5.56 1.03 -2.27 1.61 0.31 -1.26 -2.34 118.33 109.84 1bal n VAL 35 Ca 0.13 0.26 0.01 0.00 -0.01 0.00 0.00 64.34 64.73 1bal n VAL 35 Cb 0.56 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.38 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 -0.58 0.80 2.07 2.92 0.00 -1.26 -4.96 105.19 104.18 1bal n GLY 36 Ca 0.03 -0.46 -0.02 0.00 0.00 0.00 0.00 46.02 45.57 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 0.27 0.52 3.97 -0.02 0.00 -0.99 -5.03 105.19 103.91 1bal n GLY 37 Ca 0.00 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.52 3.36 -0.55 1.61 0.52 -1.25 -4.61 118.95 115.51 1bal s ARG 38 Ca 0.00 -0.76 -0.21 0.00 -0.52 0.00 0.00 55.73 54.24 1bal s ARG 38 Cb 0.00 -2.84 0.06 0.00 0.52 0.00 0.00 34.95 32.69 1bal s ARG 38 CO 0.00 0.29 0.79 -1.17 0.02 0.00 0.00 175.30 175.23 1bal s LEU 39 N -4.08 4.60 0.00 2.53 2.96 -1.26 -0.75 118.68 122.68 1bal s LEU 39 Ca 0.38 -0.74 0.00 0.00 -0.22 0.00 0.00 54.13 53.54 1bal s LEU 39 Cb -0.09 -2.58 0.00 0.00 0.50 0.00 0.00 46.19 44.02 1bal s LEU 39 CO 0.31 -1.09 0.00 0.35 -1.32 0.00 0.00 176.35 174.59 1bal n THR 40 N 5.86 0.00 0.84 3.68 -2.24 -1.26 -4.98 114.28 116.18 1bal n THR 40 Ca -0.03 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.83 1bal n THR 40 Cb 0.46 -1.18 0.26 0.00 -2.10 0.00 0.00 70.33 67.77 1bal n THR 40 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1bal n ARG 41 N -0.64 1.94 0.00 -0.78 0.63 -1.26 -3.71 116.66 112.84 1bal n ARG 41 Ca 0.00 -1.44 0.10 0.00 -0.92 0.00 0.00 57.85 55.60 1bal n ARG 41 Cb 0.00 -1.37 -0.05 0.00 0.45 0.00 0.00 32.46 31.48 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 0.65 0.19 -0.11 -0.14 4.71 -1.26 -3.59 120.64 121.10 1bal n GLU 42 Ca 0.15 -0.15 -0.25 0.00 -0.01 0.00 0.00 57.16 56.90 1bal n GLU 42 Cb 0.37 -1.50 -0.11 0.00 -1.01 0.00 0.00 31.44 29.19 1bal n GLU 42 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1bal n ASP 43 N -1.27 1.95 -0.07 1.62 9.92 -1.24 -3.93 116.55 123.53 1bal n ASP 43 Ca 0.05 0.27 -0.15 0.00 -0.53 0.00 0.00 54.79 54.43 1bal n ASP 43 Cb 0.35 -0.80 -0.05 0.00 -0.64 0.00 0.00 41.12 39.98 1bal n ASP 43 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 1bal h VAL 44 N -0.70 1.30 -0.04 2.53 2.07 -1.78 -3.08 116.25 116.55 1bal h VAL 44 Ca -0.55 -1.65 0.03 0.00 0.82 0.00 0.00 66.70 65.35 1bal h VAL 44 Cb 1.63 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 33.08 1bal h VAL 44 CO -0.25 0.53 -0.20 -0.08 0.02 0.00 0.00 177.57 177.59 1bal h GLU 45 N 0.49 -0.29 -0.05 1.57 4.57 -1.78 0.20 114.58 119.28 1bal h GLU 45 Ca 0.01 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1bal h GLU 45 Cb 1.06 0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.71 1bal h GLU 45 CO 0.10 -0.20 0.18 0.87 -1.18 0.00 0.00 179.01 178.78 1bal h LYS 46 N -0.30 0.00 0.00 1.92 1.79 -1.68 0.43 116.57 118.73 1bal h LYS 46 Ca 0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1bal h LYS 46 Cb 0.40 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1bal h LYS 46 CO -0.21 0.00 -0.66 1.25 -1.08 0.00 0.00 179.45 178.74 1bal h HIS 47 N 0.00 0.00 -0.40 -1.35 2.76 -0.58 -3.26 115.15 112.32 1bal h HIS 47 Ca 0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1bal h HIS 47 Cb 0.38 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.34 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 -2.31 2.26 -4.56 0.26 4.77 0.15 -4.83 117.00 112.74 1bal n LEU 48 Ca 0.03 -1.13 -0.25 0.00 -0.03 0.00 0.00 56.01 54.63 1bal n LEU 48 Cb 0.47 -0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 41.22 1bal n LEU 48 CO 0.37 0.54 1.45 0.00 -1.33 0.00 0.00 177.39 178.42 1bal s ALA 49 N -1.49 1.35 0.00 -1.18 0.00 -1.18 -4.87 121.76 114.39 1bal s ALA 49 Ca 0.27 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.39 1bal s ALA 49 Cb 0.15 -4.49 0.00 0.00 0.00 0.00 0.00 23.12 18.77 1bal s ALA 49 CO 0.18 -5.06 0.00 1.63 0.00 0.00 0.00 175.76 172.51 1bal n LYS 50 N 8.92 0.00 0.00 0.00 5.02 -1.26 -5.15 118.16 125.69 1bal n LYS 50 Ca 0.39 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.82 1bal n LYS 50 Cb 0.48 0.00 0.47 0.00 -0.02 0.00 0.00 35.03 35.96 1bal n LYS 50 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88