#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 3.70 0.63 2.98 0.00 -1.26 -5.07 121.76 122.74 1bal s ALA 2 Ca 0.00 -0.30 -0.15 0.00 0.00 0.00 0.00 51.96 51.51 1bal s ALA 2 Cb 0.00 -2.34 -0.02 0.00 0.00 0.00 0.00 23.12 20.76 1bal s ALA 2 CO 0.00 0.52 1.09 -1.12 0.00 0.00 0.00 175.76 176.25 1bal s SER 3 N -1.55 5.42 -0.13 0.00 0.01 -1.26 -4.93 113.70 111.25 1bal s SER 3 Ca 0.31 1.92 0.12 0.00 1.31 0.00 0.00 55.95 59.61 1bal s SER 3 Cb -0.15 -2.54 0.58 0.00 0.21 0.00 0.00 66.02 64.12 1bal s SER 3 CO 0.17 -1.42 1.42 0.18 0.41 0.00 0.00 173.24 174.00 1bal n LEU 4 N -2.23 4.12 -2.74 2.44 4.32 -1.26 -4.17 117.00 117.48 1bal n LEU 4 Ca 0.10 -2.08 -0.04 0.00 -0.02 0.00 0.00 56.01 53.96 1bal n LEU 4 Cb 0.52 -0.57 0.07 0.00 -1.62 0.00 0.00 43.42 41.82 1bal n LEU 4 CO 0.47 0.59 0.13 -1.84 -1.22 0.00 0.00 177.39 175.52 1bal n GLU 5 N 0.64 1.42 -0.16 3.23 0.28 -1.26 -4.92 120.64 119.86 1bal n GLU 5 Ca 0.20 -2.83 -0.11 0.00 -0.16 0.00 0.00 57.16 54.26 1bal n GLU 5 Cb 0.83 -0.95 -0.00 0.00 1.43 0.00 0.00 31.44 32.74 1bal n GLU 5 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1bal h GLU 6 N 2.39 1.00 -2.03 3.44 4.39 -1.99 -3.47 114.58 118.31 1bal h GLU 6 Ca -0.20 -0.42 0.20 0.00 0.34 0.00 0.00 59.36 59.28 1bal h GLU 6 Cb 1.25 -0.04 -0.12 0.00 -0.10 0.00 0.00 28.75 29.74 1bal h GLU 6 CO 0.19 1.10 0.60 -1.14 -1.16 0.00 0.00 179.01 178.60 1bal s GLN 7 N -4.69 0.80 -0.30 2.33 0.74 -1.26 -5.15 119.66 112.12 1bal s GLN 7 Ca -0.11 -0.39 -0.16 0.00 0.05 0.00 0.00 55.36 54.75 1bal s GLN 7 Cb 0.12 0.31 0.18 0.00 1.10 0.00 0.00 33.01 34.72 1bal s GLN 7 CO 0.87 -0.36 1.16 0.54 -0.55 0.00 0.00 175.29 176.95 1bal s ASN 8 N -2.71 -0.21 0.36 6.67 6.03 -1.26 -5.17 114.94 118.66 1bal s ASN 8 Ca 0.10 0.11 0.00 0.00 -1.03 0.00 0.00 52.86 52.04 1bal s ASN 8 Cb 0.00 1.17 0.00 0.00 -3.03 0.00 0.00 41.25 39.39 1bal s ASN 8 CO -0.03 -0.04 0.01 0.59 -2.03 0.00 0.00 177.10 175.60 1bal n ASN 9 N 5.39 0.01 -4.91 3.54 5.03 -1.26 -5.09 115.26 117.98 1bal n ASN 9 Ca -0.05 -1.01 -0.27 0.00 0.87 0.00 0.00 54.58 54.13 1bal n ASN 9 Cb 0.55 -0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.31 1bal n ASN 9 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1bal s ASP 10 N -1.03 6.18 0.07 6.41 1.11 -1.26 -5.08 116.67 123.07 1bal s ASP 10 Ca 0.00 0.88 -0.17 0.00 0.18 0.00 0.00 52.55 53.44 1bal s ASP 10 Cb -0.00 -2.17 0.06 0.00 1.07 0.00 0.00 42.92 41.88 1bal s ASP 10 CO 0.00 -0.63 0.78 0.00 1.18 0.00 0.00 175.17 176.51 1bal n ALA 11 N -2.28 -2.12 -1.21 5.23 0.00 -1.26 -5.14 120.51 113.73 1bal n ALA 11 Ca 0.01 -0.64 -0.37 0.00 0.00 0.00 0.00 53.44 52.43 1bal n ALA 11 Cb 0.55 0.28 0.04 0.00 0.00 0.00 0.00 19.45 20.32 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 -2.14 -4.91 0.00 4.77 -1.26 -4.95 117.00 108.51 1bal n LEU 12 Ca 0.00 0.54 -0.29 0.00 -0.03 0.00 0.00 56.01 56.24 1bal n LEU 12 Cb 0.40 -0.99 -0.04 0.00 -2.33 0.00 0.00 43.42 40.46 1bal n LEU 12 CO 0.13 -4.29 0.07 -0.94 -1.33 0.00 0.00 177.39 171.03 1bal s SER 13 N -1.20 6.44 0.12 -1.43 1.04 -1.26 -5.01 113.70 112.40 1bal s SER 13 Ca 0.58 0.55 -0.17 0.00 0.48 0.00 0.00 55.95 57.38 1bal s SER 13 Cb -0.38 -2.07 -0.04 0.00 0.10 0.00 0.00 66.02 63.64 1bal s SER 13 CO 0.66 -0.05 1.65 1.55 0.98 0.00 0.00 173.24 178.02 1bal h PRO 14 N 2.20 0.49 0.00 4.02 0.13 -2.05 -2.33 132.00 134.46 1bal h PRO 14 Ca -0.47 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1bal h PRO 14 Cb 1.18 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1bal h PRO 14 CO 0.69 0.51 0.00 0.00 -0.23 0.00 0.00 178.00 178.97 1bal n ALA 15 N -2.29 1.13 0.30 -0.56 0.00 -1.26 -2.70 120.51 115.13 1bal n ALA 15 Ca -0.02 0.15 0.05 0.00 0.00 0.00 0.00 53.44 53.63 1bal n ALA 15 Cb 0.15 -1.27 0.29 0.00 0.00 0.00 0.00 19.45 18.62 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 0.00 0.06 0.00 2.10 -1.82 1.77 117.51 119.62 1bal h ILE 16 Ca 0.00 0.00 -0.37 0.00 1.08 0.00 0.00 64.86 65.57 1bal h ILE 16 Cb 0.05 0.24 -0.04 0.00 -1.09 0.00 0.00 36.82 35.98 1bal h ILE 16 CO 0.00 0.00 -2.20 0.54 -1.08 0.00 0.00 178.15 175.41 1bal n ARG 17 N -2.49 0.70 -0.22 2.19 1.74 -1.10 -4.23 116.66 113.26 1bal n ARG 17 Ca -0.01 0.20 0.11 0.00 -0.77 0.00 0.00 57.85 57.38 1bal n ARG 17 Cb 0.71 -1.62 0.26 0.00 -1.02 0.00 0.00 32.46 30.78 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 -3.31 2.38 0.22 5.56 1.74 0.26 -4.16 116.66 119.35 1bal n ARG 18 Ca -0.37 -2.11 0.09 0.00 -0.77 0.00 0.00 57.85 54.70 1bal n ARG 18 Cb 1.03 -1.49 0.46 0.00 -1.02 0.00 0.00 32.46 31.44 1bal n ARG 18 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1bal h LEU 19 N 3.90 0.00 0.17 0.55 5.85 0.21 -2.49 115.31 123.51 1bal h LEU 19 Ca 0.00 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.39 1bal h LEU 19 Cb 0.87 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.91 1bal h LEU 19 CO 0.00 0.25 -1.57 -0.07 -0.34 0.00 0.00 178.44 176.70 1bal h LEU 20 N 0.00 0.57 0.00 2.25 3.38 -1.81 -3.17 115.31 116.53 1bal h LEU 20 Ca -0.00 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.22 1bal h LEU 20 Cb 0.73 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1bal h LEU 20 CO 0.03 1.61 0.00 0.00 0.09 0.00 0.00 178.44 180.18 1bal n ALA 21 N -2.73 2.58 -0.10 1.53 0.00 -1.16 0.23 120.51 120.86 1bal n ALA 21 Ca -0.19 -0.18 -0.22 0.00 0.00 0.00 0.00 53.44 52.85 1bal n ALA 21 Cb 1.07 -1.48 -0.12 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.04 0.65 -0.00 0.00 4.07 -0.95 -4.55 120.64 118.83 1bal n GLU 22 Ca 0.21 0.26 0.08 0.00 -0.06 0.00 0.00 57.16 57.65 1bal n GLU 22 Cb 0.12 -1.59 -0.11 0.00 -0.06 0.00 0.00 31.44 29.80 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 -3.71 0.00 -3.56 4.31 -0.00 -1.20 -5.02 115.22 106.04 1bal n HIS 23 Ca -0.43 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.03 1bal n HIS 23 Cb 0.94 -0.18 0.04 0.00 -0.00 0.00 0.00 29.99 30.80 1bal n HIS 23 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1bal n ASN 24 N -1.70 -5.75 -4.94 0.41 3.02 0.14 -4.97 115.26 101.47 1bal n ASN 24 Ca 0.00 -0.89 -0.24 0.00 -0.03 0.00 0.00 54.58 53.42 1bal n ASN 24 Cb 0.33 -3.77 0.03 0.00 -0.61 0.00 0.00 39.78 35.76 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 -6.02 3.38 -1.17 3.41 1.43 -1.25 -5.00 118.68 113.45 1bal s LEU 25 Ca 0.42 0.43 -0.10 0.00 -1.03 0.00 0.00 54.13 53.85 1bal s LEU 25 Cb -0.13 -3.27 0.23 0.00 0.03 0.00 0.00 46.19 43.04 1bal s LEU 25 CO 0.83 -0.96 1.41 -0.90 0.23 0.00 0.00 176.35 176.97 1bal n ASP 26 N -2.37 5.50 -0.16 2.29 5.68 -1.26 -4.81 116.55 121.41 1bal n ASP 26 Ca 0.04 -3.09 0.28 0.00 -0.50 0.00 0.00 54.79 51.51 1bal n ASP 26 Cb 0.58 -1.45 0.71 0.00 -1.14 0.00 0.00 41.12 39.83 1bal n ASP 26 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1bal h ALA 27 N 6.47 2.80 -0.43 2.12 0.00 -1.94 0.37 119.26 128.64 1bal h ALA 27 Ca 0.27 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.24 1bal h ALA 27 Cb 0.79 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1bal h ALA 27 CO 1.25 -1.04 0.30 0.77 0.00 0.00 0.00 179.25 180.53 1bal h SER 28 N 0.01 0.17 0.09 0.00 0.02 -1.98 -1.46 113.55 110.41 1bal h SER 28 Ca 0.41 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 61.08 1bal h SER 28 Cb 1.63 -0.03 0.03 0.00 0.14 0.00 0.00 62.40 64.16 1bal h SER 28 CO -0.01 0.10 -1.19 0.00 -1.14 0.00 0.00 176.83 174.60 1bal h ALA 29 N 1.78 0.02 -2.38 3.77 0.00 -0.67 -3.45 119.26 118.33 1bal h ALA 29 Ca 0.20 -0.75 -0.48 0.00 0.00 0.00 0.00 54.91 53.88 1bal h ALA 29 Cb 0.55 0.10 0.05 0.00 0.00 0.00 0.00 17.79 18.49 1bal h ALA 29 CO -0.03 0.67 0.39 0.42 0.00 0.00 0.00 179.25 180.70 1bal s ILE 30 N -3.05 3.67 0.00 0.00 -1.09 -0.55 -5.05 121.20 115.12 1bal s ILE 30 Ca -0.10 0.97 0.00 0.00 -2.23 0.00 0.00 60.65 59.29 1bal s ILE 30 Cb 0.06 -3.40 0.00 0.00 -1.58 0.00 0.00 42.46 37.54 1bal s ILE 30 CO 0.93 -0.29 0.00 0.29 -1.23 0.00 0.00 174.94 174.63 1bal n LYS 31 N -1.32 1.57 -3.65 2.79 5.02 -1.26 -4.92 118.16 116.39 1bal n LYS 31 Ca 0.10 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.27 1bal n LYS 31 Cb 0.52 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.48 1bal n LYS 31 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1bal s GLY 32 N -1.18 -0.28 -0.14 0.72 0.00 -1.26 -4.88 107.32 100.30 1bal s GLY 32 Ca 0.00 0.12 0.19 0.00 0.00 0.00 0.00 44.72 45.03 1bal s GLY 32 CO 0.00 -0.14 1.18 -1.30 0.00 0.00 0.00 173.10 172.84 1bal n THR 33 N 0.10 0.45 -1.51 0.90 -2.24 -1.26 -4.81 114.28 105.91 1bal n THR 33 Ca -0.17 -1.53 0.00 0.00 -2.27 0.00 0.00 64.05 60.08 1bal n THR 33 Cb 0.62 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.88 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 -0.26 1.28 3.56 3.38 0.00 -1.16 -4.83 105.19 107.15 1bal n GLY 34 Ca -0.02 -1.94 -0.13 0.00 0.00 0.00 0.00 46.02 43.92 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 0.00 0.00 0.00 1.61 0.31 -1.26 -1.60 118.33 117.39 1bal n VAL 35 Ca 0.00 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 1bal n VAL 35 Cb 0.00 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.03 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 6.58 2.34 0.00 2.92 0.00 -1.26 -3.72 105.19 112.05 1bal n GLY 36 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -2.00 -0.34 3.44 -0.02 0.00 -0.62 -5.01 105.19 100.63 1bal n GLY 37 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 1bal n GLY 37 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1bal n ARG 38 N 0.00 0.34 -1.64 1.61 0.63 -1.24 -4.18 116.66 112.18 1bal n ARG 38 Ca 0.00 0.05 -0.52 0.00 -0.92 0.00 0.00 57.85 56.46 1bal n ARG 38 Cb 0.00 -1.95 -0.06 0.00 0.45 0.00 0.00 32.46 30.90 1bal n ARG 38 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1bal n LEU 39 N 10.43 2.26 0.00 6.15 7.94 -1.26 -2.98 117.00 139.53 1bal n LEU 39 Ca 0.55 1.09 0.00 0.00 -1.11 0.00 0.00 56.01 56.53 1bal n LEU 39 Cb 0.12 -1.24 0.00 0.00 0.53 0.00 0.00 43.42 42.84 1bal n LEU 39 CO 0.86 -0.66 0.00 0.35 -1.11 0.00 0.00 177.39 176.83 1bal n THR 40 N 3.47 0.00 1.02 1.96 -2.24 -1.26 -4.97 114.28 112.26 1bal n THR 40 Ca 0.21 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.09 1bal n THR 40 Cb 0.20 -0.74 -0.00 0.00 -2.10 0.00 0.00 70.33 67.69 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 -0.52 0.56 0.00 -0.78 0.63 -1.26 -4.04 116.66 111.25 1bal n ARG 41 Ca 0.00 -0.44 0.14 0.00 -0.92 0.00 0.00 57.85 56.62 1bal n ARG 41 Cb 0.00 -1.49 0.52 0.00 0.45 0.00 0.00 32.46 31.93 1bal n ARG 41 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1bal n GLU 42 N -0.83 0.56 -0.11 -0.14 2.13 -1.26 -3.21 120.64 117.78 1bal n GLU 42 Ca 0.07 -0.23 -0.24 0.00 0.66 0.00 0.00 57.16 57.42 1bal n GLU 42 Cb 0.39 -1.50 -0.11 0.00 0.27 0.00 0.00 31.44 30.49 1bal n GLU 42 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1bal n ASP 43 N -1.02 1.96 0.24 4.31 8.00 -1.26 -4.07 116.55 124.72 1bal n ASP 43 Ca 0.12 0.24 0.11 0.00 0.71 0.00 0.00 54.79 55.97 1bal n ASP 43 Cb 0.31 -0.77 0.59 0.00 -0.02 0.00 0.00 41.12 41.22 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 -0.62 0.55 -0.45 2.53 2.07 -1.74 -2.77 116.25 115.82 1bal h VAL 44 Ca -0.55 -0.85 -0.12 0.00 0.82 0.00 0.00 66.70 66.00 1bal h VAL 44 Cb 1.67 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 1bal h VAL 44 CO -0.22 0.17 -0.20 -0.08 0.02 0.00 0.00 177.57 177.26 1bal h GLU 45 N 0.00 0.89 -2.03 1.57 4.81 -1.73 -3.01 114.58 115.08 1bal h GLU 45 Ca -0.00 -0.36 -0.03 0.00 -0.13 0.00 0.00 59.36 58.84 1bal h GLU 45 Cb 0.56 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1bal h GLU 45 CO 0.02 1.01 -0.04 1.63 -0.73 0.00 0.00 179.01 180.90 1bal n LYS 46 N -4.12 0.98 0.00 1.92 5.02 -1.04 -3.04 118.16 117.88 1bal n LYS 46 Ca 0.00 -0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 1bal n LYS 46 Cb 0.44 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 1bal n LYS 46 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1bal n HIS 47 N 1.78 0.00 0.83 2.13 -0.00 -1.14 -4.83 115.22 114.00 1bal n HIS 47 Ca 0.07 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.33 1bal n HIS 47 Cb 0.48 0.00 0.44 0.00 -0.12 0.00 0.00 29.99 30.79 1bal n HIS 47 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1bal n LEU 48 N -1.06 0.00 -3.64 0.27 4.77 -1.17 -4.70 117.00 111.46 1bal n LEU 48 Ca 0.00 0.27 -0.08 0.00 -0.03 0.00 0.00 56.01 56.16 1bal n LEU 48 Cb 0.00 -0.27 -0.07 0.00 -2.33 0.00 0.00 43.42 40.76 1bal n LEU 48 CO 0.00 -0.11 0.69 0.00 -1.33 0.00 0.00 177.39 176.64 1bal s ALA 49 N -2.53 -2.01 -0.06 -1.18 0.00 -1.26 -5.05 121.76 109.67 1bal s ALA 49 Ca 0.17 1.97 -0.21 0.00 0.00 0.00 0.00 51.96 53.89 1bal s ALA 49 Cb 0.12 -1.47 -0.31 0.00 0.00 0.00 0.00 23.12 21.46 1bal s ALA 49 CO 0.26 -0.27 0.84 0.87 0.00 0.00 0.00 175.76 177.46 1bal h LYS 50 N 4.70 0.29 0.00 0.00 1.79 -1.93 -3.45 116.57 117.98 1bal h LYS 50 Ca -0.28 -0.49 0.00 0.00 -2.18 0.00 0.00 60.65 57.69 1bal h LYS 50 Cb 1.18 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 32.01 1bal h LYS 50 CO 0.12 1.24 0.00 0.00 -1.08 0.00 0.00 179.45 179.73