#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 0.02 0.36 -3.48 0.00 -1.26 -5.18 121.76 112.21 1bal s ALA 2 Ca 0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 51.96 50.95 1bal s ALA 2 Cb 0.00 1.07 0.00 0.00 0.00 0.00 0.00 23.12 24.20 1bal s ALA 2 CO 0.00 -0.77 0.48 -1.12 0.00 0.00 0.00 175.76 174.36 1bal s SER 3 N -3.03 1.04 0.00 0.00 0.01 -1.26 -5.14 113.70 105.33 1bal s SER 3 Ca 0.24 -1.54 0.00 0.00 1.31 0.00 0.00 55.95 55.96 1bal s SER 3 Cb 0.01 0.68 0.00 0.00 0.21 0.00 0.00 66.02 66.92 1bal s SER 3 CO 0.07 -1.32 0.00 0.18 0.41 0.00 0.00 173.24 172.58 1bal n LEU 4 N -0.59 0.00 -4.22 2.44 4.77 -1.26 -4.75 117.00 113.39 1bal n LEU 4 Ca 0.01 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.62 1bal n LEU 4 Cb 0.61 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.58 1bal n LEU 4 CO 0.30 0.00 -0.27 -1.61 -1.33 0.00 0.00 177.39 174.48 1bal s GLU 5 N 0.00 2.48 -0.44 3.23 0.41 -1.26 -4.98 118.70 118.13 1bal s GLU 5 Ca 0.00 -1.31 0.07 0.00 -0.41 0.00 0.00 54.97 53.32 1bal s GLU 5 Cb 0.00 -3.40 0.23 0.00 -1.78 0.00 0.00 34.13 29.18 1bal s GLU 5 CO 0.00 -0.72 0.67 -1.91 -0.49 0.00 0.00 175.26 172.81 1bal n GLU 6 N 4.73 0.67 -3.28 1.61 2.13 -1.26 -5.03 120.64 120.21 1bal n GLU 6 Ca -0.11 -2.52 -0.32 0.00 0.66 0.00 0.00 57.16 54.87 1bal n GLU 6 Cb 0.44 -1.38 -0.05 0.00 0.27 0.00 0.00 31.44 30.71 1bal n GLU 6 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1bal n GLN 7 N 1.80 3.16 -2.78 5.31 10.64 -1.26 -5.06 117.38 129.19 1bal n GLN 7 Ca 0.17 -4.65 -0.34 0.00 -1.83 0.00 0.00 57.00 50.35 1bal n GLN 7 Cb 0.57 -2.33 -0.06 0.00 -0.86 0.00 0.00 30.24 27.55 1bal n GLN 7 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1bal s ASN 8 N -2.31 6.92 -0.30 2.61 6.03 -1.26 -5.03 114.94 121.60 1bal s ASN 8 Ca 0.38 1.75 -0.16 0.00 -1.03 0.00 0.00 52.86 53.80 1bal s ASN 8 Cb 0.12 -2.55 0.18 0.00 -3.03 0.00 0.00 41.25 35.98 1bal s ASN 8 CO 0.02 -0.38 1.16 0.20 -2.03 0.00 0.00 177.10 176.08 1bal s ASN 9 N -2.07 -0.13 -0.12 3.54 0.02 -1.26 -5.16 114.94 109.75 1bal s ASN 9 Ca 0.61 0.03 -0.08 0.00 -1.02 0.00 0.00 52.86 52.39 1bal s ASN 9 Cb -0.11 1.09 0.04 0.00 0.02 0.00 0.00 41.25 42.29 1bal s ASN 9 CO 0.16 -0.02 0.30 -1.81 0.02 0.00 0.00 177.10 175.74 1bal s ASP 10 N 2.99 -0.33 0.44 -1.22 1.11 -1.26 -5.02 116.67 113.37 1bal s ASP 10 Ca 0.23 0.63 0.23 0.00 0.18 0.00 0.00 52.55 53.82 1bal s ASP 10 Cb -0.02 0.57 0.99 0.00 1.07 0.00 0.00 42.92 45.53 1bal s ASP 10 CO -0.19 -0.14 1.87 0.00 1.18 0.00 0.00 175.17 177.88 1bal h ALA 11 N 6.45 1.10 -1.94 5.23 0.00 -2.07 -3.44 119.26 124.59 1bal h ALA 11 Ca -0.33 -0.22 -0.46 0.00 0.00 0.00 0.00 54.91 53.89 1bal h ALA 11 Cb 1.18 -0.04 0.22 0.00 0.00 0.00 0.00 17.79 19.15 1bal h ALA 11 CO 0.33 0.31 -0.57 1.28 0.00 0.00 0.00 179.25 180.60 1bal n LEU 12 N -3.53 -1.37 -4.93 0.00 4.77 -1.26 -4.99 117.00 105.69 1bal n LEU 12 Ca -0.01 -0.04 -0.25 0.00 -0.03 0.00 0.00 56.01 55.68 1bal n LEU 12 Cb 0.40 -1.13 -0.02 0.00 -2.33 0.00 0.00 43.42 40.34 1bal n LEU 12 CO 0.34 -3.17 0.16 -0.94 -1.33 0.00 0.00 177.39 172.44 1bal s SER 13 N -2.11 6.34 0.05 -1.43 1.04 -1.26 -5.02 113.70 111.31 1bal s SER 13 Ca 0.61 0.51 -0.27 0.00 0.48 0.00 0.00 55.95 57.28 1bal s SER 13 Cb -0.18 -2.06 -0.17 0.00 0.10 0.00 0.00 66.02 63.71 1bal s SER 13 CO 0.65 -0.24 1.49 1.55 0.98 0.00 0.00 173.24 177.68 1bal h PRO 14 N 1.15 -0.37 0.00 4.02 0.13 -1.95 -2.74 132.00 132.24 1bal h PRO 14 Ca -0.49 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1bal h PRO 14 Cb 1.21 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1bal h PRO 14 CO 0.63 -0.13 0.00 0.00 -0.23 0.00 0.00 178.00 178.27 1bal n ALA 15 N -2.35 1.47 0.19 -0.56 0.00 -1.26 -3.02 120.51 114.98 1bal n ALA 15 Ca -0.10 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.53 1bal n ALA 15 Cb 0.22 -1.28 0.46 0.00 0.00 0.00 0.00 19.45 18.84 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 0.06 0.06 0.00 2.10 -1.88 2.08 117.51 119.93 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 0.22 0.31 -0.04 0.00 -1.09 0.00 0.00 36.82 36.22 1bal h ILE 16 CO 0.00 0.00 -2.18 0.54 -1.08 0.00 0.00 178.15 175.43 1bal n ARG 17 N -2.96 0.71 -0.07 2.19 5.12 -1.17 -4.12 116.66 116.36 1bal n ARG 17 Ca 0.05 0.21 0.11 0.00 -1.93 0.00 0.00 57.85 56.29 1bal n ARG 17 Cb 0.85 -1.63 0.38 0.00 -1.16 0.00 0.00 32.46 30.90 1bal n ARG 17 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1bal n ARG 18 N -3.33 1.78 0.22 5.56 1.74 0.18 -3.94 116.66 118.87 1bal n ARG 18 Ca -0.36 -1.16 0.06 0.00 -0.77 0.00 0.00 57.85 55.62 1bal n ARG 18 Cb 1.03 -1.42 0.49 0.00 -1.02 0.00 0.00 32.46 31.55 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 2.42 0.00 -0.72 0.55 5.85 0.29 -1.60 115.31 122.10 1bal h LEU 19 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1bal h LEU 19 Cb 0.53 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 1bal h LEU 19 CO 0.00 0.26 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.16 1bal h LEU 20 N 0.00 0.00 0.00 2.25 3.38 -1.81 -2.89 115.31 116.24 1bal h LEU 20 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1bal h LEU 20 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1bal h LEU 20 CO 0.03 0.12 -0.73 0.00 0.09 0.00 0.00 178.44 177.96 1bal n ALA 21 N -2.14 3.93 0.28 1.53 0.00 -0.67 -0.70 120.51 122.73 1bal n ALA 21 Ca 0.02 -0.44 0.12 0.00 0.00 0.00 0.00 53.44 53.14 1bal n ALA 21 Cb 0.46 -0.99 0.12 0.00 0.00 0.00 0.00 19.45 19.04 1bal n ALA 21 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1bal h GLU 22 N 0.00 0.00 0.00 0.00 4.57 -1.17 -3.38 114.58 114.60 1bal h GLU 22 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1bal h GLU 22 Cb 0.53 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1bal h GLU 22 CO 0.00 0.00 -0.51 0.72 -1.18 0.00 0.00 179.01 178.04 1bal n HIS 23 N -2.64 0.00 -2.94 0.92 8.25 -1.21 -5.04 115.22 112.56 1bal n HIS 23 Ca 0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.38 1bal n HIS 23 Cb 0.51 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.66 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 -0.98 -3.71 -4.86 0.41 2.85 0.12 -5.02 115.26 104.07 1bal n ASN 24 Ca 0.00 -0.24 -0.34 0.00 -0.11 0.00 0.00 54.58 53.88 1bal n ASN 24 Cb 0.11 -2.52 -0.05 0.00 1.24 0.00 0.00 39.78 38.56 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 -3.82 4.30 -0.08 1.20 1.43 -1.23 -5.06 118.68 115.41 1bal s LEU 25 Ca 0.23 0.91 -0.15 0.00 -1.03 0.00 0.00 54.13 54.09 1bal s LEU 25 Cb -0.10 -3.26 -0.05 0.00 0.03 0.00 0.00 46.19 42.81 1bal s LEU 25 CO 0.32 0.09 0.39 -1.81 0.23 0.00 0.00 176.35 175.57 1bal s ASP 26 N -1.92 6.66 0.19 2.29 1.11 -1.26 -4.94 116.67 118.80 1bal s ASP 26 Ca 0.38 0.78 0.12 0.00 0.18 0.00 0.00 52.55 54.01 1bal s ASP 26 Cb -0.14 -2.24 -0.07 0.00 1.07 0.00 0.00 42.92 41.55 1bal s ASP 26 CO 0.20 0.17 1.32 0.00 1.18 0.00 0.00 175.17 178.04 1bal h ALA 27 N 5.88 0.54 0.00 5.23 0.00 -1.97 -3.24 119.26 125.70 1bal h ALA 27 Ca -0.46 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 53.76 1bal h ALA 27 Cb 1.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1bal h ALA 27 CO 0.70 0.92 0.55 0.66 0.00 0.00 0.00 179.25 182.08 1bal h SER 28 N 0.00 0.00 0.33 0.00 4.64 -2.03 1.16 113.55 117.65 1bal h SER 28 Ca -0.02 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.98 1bal h SER 28 Cb 1.57 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.61 1bal h SER 28 CO 0.09 0.00 -1.93 0.00 -0.87 0.00 0.00 176.83 174.12 1bal n ALA 29 N -1.59 1.49 -2.68 5.18 0.00 -1.22 -4.91 120.51 116.77 1bal n ALA 29 Ca -0.01 -0.94 -0.32 0.00 0.00 0.00 0.00 53.44 52.17 1bal n ALA 29 Cb 0.57 -0.64 -0.05 0.00 0.00 0.00 0.00 19.45 19.33 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 -2.56 5.18 0.27 0.00 -1.09 0.40 -5.10 121.20 118.29 1bal s ILE 30 Ca -0.07 0.08 0.08 0.00 -2.23 0.00 0.00 60.65 58.51 1bal s ILE 30 Cb 0.07 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.30 1bal s ILE 30 CO 0.82 0.11 0.15 -0.54 -1.23 0.00 0.00 174.94 174.25 1bal s LYS 31 N -2.46 2.71 0.19 2.79 1.02 -1.26 -4.89 119.74 117.83 1bal s LYS 31 Ca 0.38 -1.19 -0.04 0.00 0.02 0.00 0.00 55.97 55.14 1bal s LYS 31 Cb -0.12 -2.43 -0.05 0.00 -0.52 0.00 0.00 37.83 34.70 1bal s LYS 31 CO 0.23 0.36 0.41 0.20 -0.92 0.00 0.00 175.35 175.63 1bal s GLY 32 N -3.81 2.05 -0.06 -3.33 0.00 -1.26 -4.90 107.32 96.00 1bal s GLY 32 Ca 0.33 -0.63 0.14 0.00 0.00 0.00 0.00 44.72 44.57 1bal s GLY 32 CO 0.24 -0.56 1.14 -1.30 0.00 0.00 0.00 173.10 172.62 1bal n THR 33 N -0.30 0.14 -0.59 0.90 -2.24 -1.25 -4.81 114.28 106.13 1bal n THR 33 Ca -0.03 -0.84 -0.16 0.00 -2.27 0.00 0.00 64.05 60.76 1bal n THR 33 Cb 0.53 0.85 0.14 0.00 -2.10 0.00 0.00 70.33 69.74 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 -0.03 -2.99 0.14 3.38 0.00 -1.19 -4.73 105.19 99.77 1bal n GLY 34 Ca -0.09 -1.41 0.05 0.00 0.00 0.00 0.00 46.02 44.57 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 -3.98 0.61 0.00 1.61 0.31 -1.26 -2.91 118.33 112.71 1bal n VAL 35 Ca 0.08 0.70 0.00 0.00 -0.01 0.00 0.00 64.34 65.11 1bal n VAL 35 Cb 0.31 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 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 -1.27 0.01 0.00 2.92 0.00 -1.26 -5.03 105.19 100.56 1bal n GLY 36 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.69 0.15 3.63 -0.02 0.00 -1.14 -4.96 105.19 103.53 1bal n GLY 37 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.47 1bal n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bal n ARG 38 N 0.00 1.04 -1.61 1.61 1.74 -1.26 -3.78 116.66 114.39 1bal n ARG 38 Ca 0.00 0.38 -0.43 0.00 -0.77 0.00 0.00 57.85 57.03 1bal n ARG 38 Cb 0.00 -2.02 -0.03 0.00 -1.02 0.00 0.00 32.46 29.39 1bal n ARG 38 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1bal s LEU 39 N 1.58 3.48 0.00 0.55 2.96 -1.26 -3.17 118.68 122.82 1bal s LEU 39 Ca 0.90 1.91 0.00 0.00 -0.22 0.00 0.00 54.13 56.73 1bal s LEU 39 Cb -1.03 -3.51 0.00 0.00 0.50 0.00 0.00 46.19 42.15 1bal s LEU 39 CO 0.55 -1.93 0.00 0.35 -1.32 0.00 0.00 176.35 174.00 1bal n THR 40 N 7.67 0.00 -0.03 3.68 -2.24 -1.26 -5.03 114.28 117.07 1bal n THR 40 Ca 0.29 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 62.03 1bal n THR 40 Cb 0.45 -0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 68.16 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 0.69 0.26 -0.78 0.63 -1.26 -4.49 116.66 111.71 1bal n ARG 41 Ca 0.00 0.03 0.12 0.00 -0.92 0.00 0.00 57.85 57.09 1bal n ARG 41 Cb 0.00 -1.14 0.79 0.00 0.45 0.00 0.00 32.46 32.56 1bal n ARG 41 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1bal h GLU 42 N 0.00 0.00 0.00 -0.14 4.57 -1.98 0.27 114.58 117.31 1bal h GLU 42 Ca -0.15 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 57.93 1bal h GLU 42 Cb 1.25 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.83 1bal h GLU 42 CO -0.02 0.00 -0.46 -0.44 -1.18 0.00 0.00 179.01 176.91 1bal h ASP 43 N 0.00 0.00 0.27 1.04 3.32 -1.93 -2.20 116.42 116.91 1bal h ASP 43 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1bal h ASP 43 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1bal h ASP 43 CO -0.00 0.46 -1.13 0.52 -1.72 0.00 0.00 179.24 177.37 1bal n VAL 44 N -3.32 0.10 0.01 -1.35 0.31 0.04 -4.29 118.33 109.83 1bal n VAL 44 Ca 0.01 -0.21 -0.21 0.00 -0.01 0.00 0.00 64.34 63.92 1bal n VAL 44 Cb 0.66 0.37 -0.14 0.00 -0.91 0.00 0.00 33.84 33.82 1bal n VAL 44 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1bal n GLU 45 N -1.87 0.76 0.00 5.55 2.13 0.75 -3.82 120.64 124.15 1bal n GLU 45 Ca 0.02 0.27 0.03 0.00 0.66 0.00 0.00 57.16 58.13 1bal n GLU 45 Cb 0.42 -1.71 0.16 0.00 0.27 0.00 0.00 31.44 30.59 1bal n GLU 45 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1bal n LYS 46 N -3.50 0.35 0.00 5.31 5.02 -0.83 -1.44 118.16 123.07 1bal n LYS 46 Ca -0.32 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.08 1bal n LYS 46 Cb 1.04 -1.24 0.04 0.00 -0.02 0.00 0.00 35.03 34.85 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 -0.74 0.00 -2.80 2.13 -0.00 -1.25 -4.92 115.22 107.63 1bal n HIS 47 Ca 0.04 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.89 1bal n HIS 47 Cb 0.02 -0.10 -0.07 0.00 -0.12 0.00 0.00 29.99 29.72 1bal n HIS 47 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1bal s LEU 48 N -2.99 4.00 0.29 0.27 1.43 -0.52 -4.98 118.68 116.18 1bal s LEU 48 Ca 0.09 1.72 -0.30 0.00 -1.03 0.00 0.00 54.13 54.62 1bal s LEU 48 Cb 0.17 -4.46 -0.12 0.00 0.03 0.00 0.00 46.19 41.81 1bal s LEU 48 CO 0.79 -0.33 1.54 0.00 0.23 0.00 0.00 176.35 178.59 1bal n ALA 49 N -0.46 2.23 -1.56 4.21 0.00 -1.26 -5.00 120.51 118.67 1bal n ALA 49 Ca 0.06 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1bal n ALA 49 Cb 0.53 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.57 1bal n ALA 49 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1bal n LYS 50 N 1.93 2.68 0.00 0.00 4.76 -1.26 -5.18 118.16 121.10 1bal n LYS 50 Ca 0.08 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.65 1bal n LYS 50 Cb 0.36 0.00 0.30 0.00 -1.84 0.00 0.00 35.03 33.85 1bal n LYS 50 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03