#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 -1.26 0.00 -0.72 0.00 -1.26 -5.13 121.76 113.39 1bal s ALA 2 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.60 1bal s ALA 2 Cb 0.00 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.84 1bal s ALA 2 CO 0.00 -1.03 0.00 -1.13 0.00 0.00 0.00 175.76 173.60 1bal n SER 3 N -0.96 0.00 -0.01 0.00 3.41 -1.26 -4.96 113.62 109.84 1bal n SER 3 Ca -0.06 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.66 1bal n SER 3 Cb 0.60 0.00 0.60 0.00 -0.26 0.00 0.00 64.21 65.15 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 0.03 -0.08 1.04 4.32 -1.26 -3.07 117.00 117.98 1bal n LEU 4 Ca 0.00 -0.01 0.14 0.00 -0.02 0.00 0.00 56.01 56.11 1bal n LEU 4 Cb 0.00 -0.00 0.53 0.00 -1.62 0.00 0.00 43.42 42.32 1bal n LEU 4 CO 0.00 0.01 0.79 -0.62 -1.22 0.00 0.00 177.39 176.35 1bal n GLU 5 N -0.80 0.44 -0.51 3.23 1.02 -1.26 -4.86 120.64 117.90 1bal n GLU 5 Ca 0.15 -0.16 -0.18 0.00 -0.02 0.00 0.00 57.16 56.95 1bal n GLU 5 Cb 0.07 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.16 1bal n GLU 5 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1bal n GLU 6 N -1.14 -2.65 -1.72 3.49 0.28 -1.17 -4.78 120.64 112.95 1bal n GLU 6 Ca 0.11 -1.01 -0.61 0.00 -0.16 0.00 0.00 57.16 55.49 1bal n GLU 6 Cb 0.30 -1.02 -0.08 0.00 1.43 0.00 0.00 31.44 32.07 1bal n GLU 6 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1bal n GLN 7 N -3.71 0.77 0.00 3.44 6.02 -1.26 -4.29 117.38 118.35 1bal n GLN 7 Ca 0.09 0.28 0.00 0.00 -0.01 0.00 0.00 57.00 57.36 1bal n GLN 7 Cb 0.36 -1.91 0.00 0.00 1.02 0.00 0.00 30.24 29.71 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 5.03 0.00 0.00 1.08 4.13 -1.26 -5.14 115.26 119.11 1bal n ASN 8 Ca 0.28 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.54 1bal n ASN 8 Cb 0.07 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.31 1bal n ASN 8 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1bal n ASN 9 N -0.47 -1.18 -3.00 6.41 5.15 -1.26 -4.80 115.26 116.10 1bal n ASN 9 Ca 0.00 0.00 0.03 0.00 -0.60 0.00 0.00 54.58 54.01 1bal n ASN 9 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1bal n ASN 9 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1bal s ASP 10 N -4.00 -0.70 0.00 1.20 -1.08 -1.26 -5.12 116.67 105.71 1bal s ASP 10 Ca 0.00 -0.16 0.00 0.00 -0.52 0.00 0.00 52.55 51.87 1bal s ASP 10 Cb 0.00 1.12 0.00 0.00 -1.46 0.00 0.00 42.92 42.58 1bal s ASP 10 CO 0.00 -0.10 0.00 0.00 0.52 0.00 0.00 175.17 175.59 1bal n ALA 11 N 4.45 0.00 -1.58 3.66 0.00 -1.26 -4.96 120.51 120.81 1bal n ALA 11 Ca 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.37 1bal n ALA 11 Cb 0.59 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.19 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 0.00 0.00 -3.72 0.00 4.77 -1.26 -5.11 117.00 111.68 1bal n LEU 12 Ca 0.00 -0.99 -0.10 0.00 -0.03 0.00 0.00 56.01 54.89 1bal n LEU 12 Cb 0.00 -0.71 -0.04 0.00 -2.33 0.00 0.00 43.42 40.34 1bal n LEU 12 CO 0.00 -1.22 0.24 -0.44 -1.33 0.00 0.00 177.39 174.64 1bal s SER 13 N -4.30 -0.25 0.55 -1.43 0.01 -1.26 -5.02 113.70 102.00 1bal s SER 13 Ca 0.52 -0.46 0.26 0.00 1.31 0.00 0.00 55.95 57.58 1bal s SER 13 Cb -0.02 0.55 1.46 0.00 0.21 0.00 0.00 66.02 68.22 1bal s SER 13 CO 0.37 -1.01 2.02 -0.65 0.41 0.00 0.00 173.24 174.38 1bal h PRO 14 N 2.24 0.00 0.00 12.44 0.10 -2.04 0.19 132.00 144.93 1bal h PRO 14 Ca -0.30 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.80 1bal h PRO 14 Cb 1.26 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.36 1bal h PRO 14 CO 0.40 0.00 0.05 0.00 0.10 0.00 0.00 178.00 178.54 1bal h ALA 15 N 1.73 1.04 -0.44 -0.75 0.00 -2.00 -1.44 119.26 117.40 1bal h ALA 15 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.22 1bal h ALA 15 Cb 0.82 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1bal h ALA 15 CO -0.00 -0.04 0.40 0.97 0.00 0.00 0.00 179.25 180.58 1bal h ILE 16 N 0.00 0.49 0.07 0.00 2.10 -1.02 -1.10 117.51 118.05 1bal h ILE 16 Ca 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.94 1bal h ILE 16 Cb 0.09 0.69 0.00 0.00 -1.09 0.00 0.00 36.82 36.52 1bal h ILE 16 CO 0.00 0.00 -0.03 0.03 -1.08 0.00 0.00 178.15 177.07 1bal h ARG 17 N 0.00 -0.09 0.00 2.19 3.08 -1.48 -3.24 114.38 114.85 1bal h ARG 17 Ca 0.21 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1bal h ARG 17 Cb 1.01 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.08 1bal h ARG 17 CO -0.00 -0.02 0.34 0.00 -1.07 0.00 0.00 179.97 179.22 1bal h ARG 18 N -1.02 0.00 -0.25 0.04 3.08 -1.60 0.32 114.38 114.95 1bal h ARG 18 Ca -0.01 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1bal h ARG 18 Cb 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1bal h ARG 18 CO 0.02 0.00 -0.11 1.25 -1.07 0.00 0.00 179.97 180.05 1bal h LEU 19 N 0.00 0.39 -0.06 3.04 5.85 -1.24 -1.64 115.31 121.66 1bal h LEU 19 Ca 0.00 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1bal h LEU 19 Cb 0.69 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1bal h LEU 19 CO 0.00 0.54 0.00 -0.07 -0.34 0.00 0.00 178.44 178.57 1bal h LEU 20 N 0.39 0.00 -0.62 2.25 3.38 -0.49 -3.06 115.31 117.16 1bal h LEU 20 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1bal h LEU 20 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1bal h LEU 20 CO 0.02 0.00 -0.40 0.00 0.09 0.00 0.00 178.44 178.15 1bal n ALA 21 N -1.94 3.40 -0.06 1.53 0.00 -0.70 -2.74 120.51 119.99 1bal n ALA 21 Ca 0.05 -0.50 -0.15 0.00 0.00 0.00 0.00 53.44 52.84 1bal n ALA 21 Cb 0.47 -0.98 -0.14 0.00 0.00 0.00 0.00 19.45 18.80 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 -0.52 0.69 0.02 0.00 2.13 -0.71 -4.29 120.64 117.95 1bal n GLU 22 Ca 0.10 0.19 0.11 0.00 0.66 0.00 0.00 57.16 58.22 1bal n GLU 22 Cb 0.39 -1.65 -0.03 0.00 0.27 0.00 0.00 31.44 30.43 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 -3.16 0.17 -3.66 4.31 -0.00 -1.20 -4.98 115.22 106.71 1bal n HIS 23 Ca -0.31 0.05 -0.23 0.00 -0.00 0.00 0.00 57.72 57.23 1bal n HIS 23 Cb 1.06 -0.36 0.04 0.00 -0.00 0.00 0.00 29.99 30.73 1bal n HIS 23 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 1bal n ASN 24 N -1.91 -2.41 -4.73 0.41 2.85 -1.11 -4.93 115.26 103.43 1bal n ASN 24 Ca 0.02 -0.85 -0.38 0.00 -0.11 0.00 0.00 54.58 53.25 1bal n ASN 24 Cb 0.43 -4.02 -0.06 0.00 1.24 0.00 0.00 39.78 37.38 1bal n ASN 24 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1bal s LEU 25 N -6.52 4.31 -1.01 1.20 1.43 -1.25 -4.98 118.68 111.86 1bal s LEU 25 Ca 0.13 0.94 -0.23 0.00 -1.03 0.00 0.00 54.13 53.94 1bal s LEU 25 Cb -0.04 -2.81 -0.00 0.00 0.03 0.00 0.00 46.19 43.37 1bal s LEU 25 CO 0.82 -0.01 1.73 -1.81 0.23 0.00 0.00 176.35 177.31 1bal s ASP 26 N 0.53 5.80 0.42 2.29 1.01 -1.26 -4.76 116.67 120.70 1bal s ASP 26 Ca 0.29 -1.22 0.12 0.00 0.71 0.00 0.00 52.55 52.45 1bal s ASP 26 Cb -0.16 -2.57 0.65 0.00 1.01 0.00 0.00 42.92 41.85 1bal s ASP 26 CO 0.13 -2.16 1.26 0.00 0.21 0.00 0.00 175.17 174.61 1bal h ALA 27 N 10.25 1.37 -1.00 5.23 0.00 -1.94 0.10 119.26 133.27 1bal h ALA 27 Ca 0.18 0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.26 1bal h ALA 27 Cb 0.99 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.68 1bal h ALA 27 CO 1.32 -0.37 0.62 0.77 0.00 0.00 0.00 179.25 181.59 1bal h SER 28 N 0.00 0.82 1.21 0.00 0.02 -2.03 0.63 113.55 114.21 1bal h SER 28 Ca 0.00 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1bal h SER 28 Cb 0.95 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.42 1bal h SER 28 CO 0.00 0.34 0.00 0.00 -1.14 0.00 0.00 176.83 176.03 1bal h ALA 29 N 1.62 1.00 -2.60 3.77 0.00 -1.37 -3.44 119.26 118.23 1bal h ALA 29 Ca 0.56 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.91 1bal h ALA 29 Cb 0.78 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1bal h ALA 29 CO -0.35 0.00 -0.34 0.42 0.00 0.00 0.00 179.25 178.98 1bal s ILE 30 N -3.57 5.21 -0.19 0.00 -1.09 0.22 -5.08 121.20 116.71 1bal s ILE 30 Ca 0.02 -0.27 -0.10 0.00 -2.23 0.00 0.00 60.65 58.07 1bal s ILE 30 Cb 0.08 -3.70 -0.05 0.00 -1.58 0.00 0.00 42.46 37.22 1bal s ILE 30 CO 0.57 -0.10 0.14 -1.59 -1.23 0.00 0.00 174.94 172.73 1bal s LYS 31 N -3.10 4.09 -0.32 2.79 -2.85 -1.26 -4.93 119.74 114.16 1bal s LYS 31 Ca 0.39 -0.19 -0.06 0.00 -1.00 0.00 0.00 55.97 55.10 1bal s LYS 31 Cb -0.11 -3.39 0.03 0.00 -2.06 0.00 0.00 37.83 32.30 1bal s LYS 31 CO 0.28 0.37 0.09 0.20 0.10 0.00 0.00 175.35 176.39 1bal s GLY 32 N 0.16 1.82 -0.17 0.59 0.00 -1.26 -4.90 107.32 103.56 1bal s GLY 32 Ca 0.09 -1.63 -0.15 0.00 0.00 0.00 0.00 44.72 43.03 1bal s GLY 32 CO -0.01 0.72 -0.28 -1.30 0.00 0.00 0.00 173.10 172.23 1bal n THR 33 N 4.83 1.48 -1.40 0.90 -2.24 -1.09 -4.17 114.28 112.58 1bal n THR 33 Ca -0.13 0.13 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 1bal n THR 33 Cb 0.46 -2.33 -0.01 0.00 -2.10 0.00 0.00 70.33 66.35 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 1.50 -0.49 0.22 3.38 0.00 -0.86 -1.49 105.19 107.45 1bal n GLY 34 Ca -0.15 -0.40 0.02 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.19 1.21 0.00 1.61 2.07 -1.98 -3.39 116.25 115.59 1bal h VAL 35 Ca 0.00 -0.99 -0.19 0.00 0.82 0.00 0.00 66.70 66.35 1bal h VAL 35 Cb 0.19 1.37 -0.13 0.00 -1.52 0.00 0.00 31.29 31.19 1bal h VAL 35 CO 0.00 0.30 -0.24 0.61 0.02 0.00 0.00 177.57 178.26 1bal n GLY 36 N -0.69 -0.02 0.37 2.17 0.00 -1.23 -5.01 105.19 100.77 1bal n GLY 36 Ca -0.01 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 0.23 0.73 3.08 -0.02 0.00 -0.56 -5.13 105.19 103.52 1bal n GLY 37 Ca -0.01 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 1bal n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bal s ARG 38 N -2.25 0.35 -0.24 1.61 3.52 -1.18 -4.93 118.95 115.83 1bal s ARG 38 Ca 0.00 -0.12 -0.12 0.00 -0.13 0.00 0.00 55.73 55.36 1bal s ARG 38 Cb 0.00 0.15 -0.05 0.00 -1.56 0.00 0.00 34.95 33.49 1bal s ARG 38 CO 0.00 -0.07 0.22 -1.17 -0.81 0.00 0.00 175.30 173.47 1bal s LEU 39 N -0.72 4.11 0.00 -0.88 2.96 -1.26 -2.03 118.68 120.86 1bal s LEU 39 Ca -0.08 0.19 0.00 0.00 -0.22 0.00 0.00 54.13 54.02 1bal s LEU 39 Cb -0.05 -2.21 0.00 0.00 0.50 0.00 0.00 46.19 44.43 1bal s LEU 39 CO 0.01 0.01 0.00 0.35 -1.32 0.00 0.00 176.35 175.40 1bal n THR 40 N 4.43 0.00 -0.10 3.68 -2.24 -1.26 -5.02 114.28 113.77 1bal n THR 40 Ca -0.13 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.51 1bal n THR 40 Cb 0.52 -1.23 -0.10 0.00 -2.10 0.00 0.00 70.33 67.42 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 0.00 0.61 0.00 -0.78 0.63 -1.26 -4.32 116.66 111.54 1bal n ARG 41 Ca 0.00 0.10 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 1bal n ARG 41 Cb 0.00 -1.41 0.00 0.00 0.45 0.00 0.00 32.46 31.50 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 -3.05 0.00 -0.08 -0.14 -0.58 -1.26 0.03 120.64 115.56 1bal n GLU 42 Ca -0.35 0.18 -0.16 0.00 -0.42 0.00 0.00 57.16 56.41 1bal n GLU 42 Cb 0.90 -1.52 -0.14 0.00 -0.57 0.00 0.00 31.44 30.12 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 -1.16 1.43 0.03 1.62 9.92 -1.26 -4.39 116.55 122.74 1bal n ASP 43 Ca 0.00 0.02 0.11 0.00 -0.53 0.00 0.00 54.79 54.39 1bal n ASP 43 Cb 0.02 -0.14 -0.06 0.00 -0.64 0.00 0.00 41.12 40.30 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 -3.16 0.20 0.03 2.53 0.31 -0.16 -4.31 118.33 113.77 1bal n VAL 44 Ca -0.37 -0.39 -0.01 0.00 -0.01 0.00 0.00 64.34 63.56 1bal n VAL 44 Cb 1.05 0.07 -0.01 0.00 -0.91 0.00 0.00 33.84 34.04 1bal n VAL 44 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1bal h GLU 45 N 0.00 -0.07 0.00 5.55 4.81 -0.60 -1.22 114.58 123.05 1bal h GLU 45 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1bal h GLU 45 Cb 0.87 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.27 1bal h GLU 45 CO 0.00 -0.05 0.13 1.63 -0.73 0.00 0.00 179.01 179.99 1bal n LYS 46 N -2.29 0.00 0.01 1.92 5.02 -1.26 0.43 118.16 121.99 1bal n LYS 46 Ca -0.01 0.30 -0.05 0.00 -2.02 0.00 0.00 58.31 56.53 1bal n LYS 46 Cb 0.03 -1.63 -0.11 0.00 -0.02 0.00 0.00 35.03 33.30 1bal n LYS 46 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1bal h HIS 47 N 0.00 0.00 -3.55 2.13 2.76 -1.45 -3.46 115.15 111.58 1bal h HIS 47 Ca 0.00 0.00 -0.52 0.00 -2.20 0.00 0.00 60.37 57.65 1bal h HIS 47 Cb 0.26 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.19 1bal h HIS 47 CO 0.00 0.85 0.22 -0.51 -1.30 0.00 0.00 177.93 177.19 1bal s LEU 48 N -6.11 4.58 0.02 0.26 1.43 0.17 -5.03 118.68 113.99 1bal s LEU 48 Ca -0.03 1.68 -0.23 0.00 -1.03 0.00 0.00 54.13 54.52 1bal s LEU 48 Cb 0.08 -3.36 -0.05 0.00 0.03 0.00 0.00 46.19 42.90 1bal s LEU 48 CO 0.82 0.16 0.70 0.00 0.23 0.00 0.00 176.35 178.26 1bal s ALA 49 N -0.93 3.41 -0.08 4.21 0.00 -1.26 -4.99 121.76 122.11 1bal s ALA 49 Ca 0.38 0.18 -0.01 0.00 0.00 0.00 0.00 51.96 52.51 1bal s ALA 49 Cb -0.23 -2.91 0.03 0.00 0.00 0.00 0.00 23.12 20.01 1bal s ALA 49 CO 0.27 0.09 -0.01 0.15 0.00 0.00 0.00 175.76 176.26 1bal s LYS 50 N -0.05 0.76 0.00 0.00 1.02 -1.26 -5.21 119.74 115.00 1bal s LYS 50 Ca 0.36 0.03 0.00 0.00 0.02 0.00 0.00 55.97 56.38 1bal s LYS 50 Cb -0.20 -1.12 0.00 0.00 -0.52 0.00 0.00 37.83 36.00 1bal s LYS 50 CO 0.21 -0.31 0.00 0.00 -0.92 0.00 0.00 175.35 174.32