#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 3.57 0.00 2.98 0.00 -1.26 -4.94 121.76 122.11 1bal s ALA 2 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1bal s ALA 2 Cb 0.00 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.62 1bal s ALA 2 CO 0.00 -0.10 0.00 0.43 0.00 0.00 0.00 175.76 176.09 1bal n SER 3 N 4.01 0.00 -4.55 0.00 7.64 -1.26 -5.11 113.62 114.35 1bal n SER 3 Ca -0.10 0.00 -0.55 0.00 1.01 0.00 0.00 58.87 59.23 1bal n SER 3 Cb 0.52 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.65 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 1.00 -4.37 -3.43 4.77 -1.26 -4.76 117.00 108.94 1bal n LEU 4 Ca 0.00 1.14 -0.43 0.00 -0.03 0.00 0.00 56.01 56.68 1bal n LEU 4 Cb 0.00 -1.09 -0.01 0.00 -2.33 0.00 0.00 43.42 40.00 1bal n LEU 4 CO 0.00 -1.39 -0.17 1.21 -1.33 0.00 0.00 177.39 175.72 1bal n GLU 5 N 2.12 0.20 0.00 3.23 0.00 -1.26 -4.87 120.64 120.05 1bal n GLU 5 Ca 0.19 0.07 0.00 0.00 0.00 0.00 0.00 57.16 57.42 1bal n GLU 5 Cb 0.15 -1.16 0.00 0.00 0.00 0.00 0.00 31.44 30.43 1bal n GLU 5 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1bal n GLU 6 N 1.04 1.60 -3.43 5.31 2.13 -1.26 -5.05 120.64 120.99 1bal n GLU 6 Ca 0.13 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.78 1bal n GLU 6 Cb 0.36 -0.43 -0.11 0.00 0.27 0.00 0.00 31.44 31.53 1bal n GLU 6 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 1bal s GLN 7 N -0.69 0.28 0.09 5.31 0.74 -1.26 -5.02 119.66 119.11 1bal s GLN 7 Ca 0.00 0.01 -0.18 0.00 0.05 0.00 0.00 55.36 55.24 1bal s GLN 7 Cb 0.00 -0.81 -0.08 0.00 1.10 0.00 0.00 33.01 33.22 1bal s GLN 7 CO 0.00 -0.88 1.53 -0.97 -0.55 0.00 0.00 175.29 174.42 1bal h ASN 8 N 8.27 0.43 -3.75 6.67 -1.24 -2.02 -3.44 115.58 120.50 1bal h ASN 8 Ca -0.15 -0.30 -0.46 0.00 0.71 0.00 0.00 56.30 56.10 1bal h ASN 8 Cb 1.10 -0.12 0.10 0.00 0.73 0.00 0.00 38.32 40.14 1bal h ASN 8 CO 0.32 0.63 0.29 0.20 -1.29 0.00 0.00 177.43 177.57 1bal s ASN 9 N -5.93 4.31 0.10 1.15 0.01 -1.26 -5.10 114.94 108.23 1bal s ASN 9 Ca -0.14 0.36 -0.04 0.00 -0.71 0.00 0.00 52.86 52.34 1bal s ASN 9 Cb 0.08 -0.81 0.01 0.00 0.41 0.00 0.00 41.25 40.94 1bal s ASN 9 CO 0.75 -1.94 0.20 0.47 -1.51 0.00 0.00 177.10 175.06 1bal n ASP 10 N -3.17 -0.58 0.00 -1.22 9.92 -1.26 -5.13 116.55 115.11 1bal n ASP 10 Ca 0.11 -1.42 0.00 0.00 -0.53 0.00 0.00 54.79 52.94 1bal n ASP 10 Cb 0.60 0.98 0.00 0.00 -0.64 0.00 0.00 41.12 42.06 1bal n ASP 10 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bal n ALA 11 N -2.37 2.11 -1.00 2.24 0.00 -1.26 -5.12 120.51 115.11 1bal n ALA 11 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1bal n ALA 11 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 -1.36 0.00 -3.73 0.00 4.77 -1.26 -5.07 117.00 110.36 1bal n LEU 12 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1bal n LEU 12 Cb 0.00 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 1bal n LEU 12 CO 0.00 -0.54 -0.04 -0.55 -1.33 0.00 0.00 177.39 174.94 1bal s SER 13 N -1.89 -0.36 0.54 -1.43 0.15 -1.26 -5.02 113.70 104.42 1bal s SER 13 Ca 0.00 0.67 0.23 0.00 0.70 0.00 0.00 55.95 57.56 1bal s SER 13 Cb 0.00 0.59 1.51 0.00 -1.71 0.00 0.00 66.02 66.40 1bal s SER 13 CO 0.00 -0.16 2.17 1.55 1.20 0.00 0.00 173.24 178.00 1bal h PRO 14 N 6.72 0.00 0.00 5.44 0.13 -2.05 0.05 132.00 142.29 1bal h PRO 14 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1bal h PRO 14 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1bal h PRO 14 CO 0.33 0.04 0.00 0.00 -0.23 0.00 0.00 178.00 178.14 1bal n ALA 15 N -2.40 2.09 0.17 -0.56 0.00 -1.26 -3.50 120.51 115.05 1bal n ALA 15 Ca -0.03 -0.09 0.14 0.00 0.00 0.00 0.00 53.44 53.46 1bal n ALA 15 Cb 0.13 -1.36 0.45 0.00 0.00 0.00 0.00 19.45 18.67 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 0.08 0.00 2.10 -1.39 1.00 117.51 119.36 1bal h ILE 16 Ca 0.00 0.00 -0.32 0.00 1.08 0.00 0.00 64.86 65.62 1bal h ILE 16 Cb 0.27 0.30 -0.02 0.00 -1.09 0.00 0.00 36.82 36.28 1bal h ILE 16 CO 0.00 0.00 -1.76 0.54 -1.08 0.00 0.00 178.15 175.85 1bal n ARG 17 N -2.97 0.69 -0.03 2.19 1.74 -1.23 -4.00 116.66 113.05 1bal n ARG 17 Ca 0.06 0.37 0.11 0.00 -0.77 0.00 0.00 57.85 57.61 1bal n ARG 17 Cb 0.87 -1.72 0.51 0.00 -1.02 0.00 0.00 32.46 31.11 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 -3.81 1.34 0.20 5.56 5.12 0.14 -3.63 116.66 121.59 1bal n ARG 18 Ca -0.32 -0.51 0.07 0.00 -1.93 0.00 0.00 57.85 55.16 1bal n ARG 18 Cb 0.92 -1.36 0.38 0.00 -1.16 0.00 0.00 32.46 31.24 1bal n ARG 18 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1bal h LEU 19 N 1.06 0.00 0.02 0.55 5.85 0.62 -2.26 115.31 121.15 1bal h LEU 19 Ca 0.00 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.47 1bal h LEU 19 Cb 0.23 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 1bal h LEU 19 CO 0.00 0.32 -1.13 -0.07 -0.34 0.00 0.00 178.44 177.22 1bal h LEU 20 N 0.00 0.36 0.00 2.25 3.38 -1.80 -3.19 115.31 116.31 1bal h LEU 20 Ca -0.00 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1bal h LEU 20 Cb 0.85 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1bal h LEU 20 CO 0.04 1.25 -0.08 0.00 0.09 0.00 0.00 178.44 179.74 1bal n ALA 21 N -2.50 2.39 0.50 1.53 0.00 -1.14 0.53 120.51 121.81 1bal n ALA 21 Ca -0.06 -0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.43 1bal n ALA 21 Cb 0.96 -1.43 0.30 0.00 0.00 0.00 0.00 19.45 19.28 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 4.81 -1.39 -3.34 114.58 114.66 1bal h GLU 22 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1bal h GLU 22 Cb 0.68 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1bal h GLU 22 CO 0.00 0.00 0.00 0.72 -0.73 0.00 0.00 179.01 179.00 1bal n HIS 23 N -2.48 0.00 -4.04 0.92 8.25 -1.18 -5.01 115.22 111.68 1bal n HIS 23 Ca 0.05 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.18 1bal n HIS 23 Cb 0.46 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.57 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 -0.05 -3.99 -4.49 0.41 4.05 0.19 -4.90 115.26 106.47 1bal n ASN 24 Ca 0.00 -0.87 -0.42 0.00 0.45 0.00 0.00 54.58 53.74 1bal n ASN 24 Cb 0.15 -3.23 -0.10 0.00 1.23 0.00 0.00 39.78 37.83 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 -7.22 4.85 -0.43 1.20 1.43 -1.17 -5.01 118.68 112.33 1bal s LEU 25 Ca 0.70 -0.67 -0.27 0.00 -1.03 0.00 0.00 54.13 52.86 1bal s LEU 25 Cb -0.37 -2.21 -0.05 0.00 0.03 0.00 0.00 46.19 43.60 1bal s LEU 25 CO 0.86 -0.40 2.16 -0.62 0.23 0.00 0.00 176.35 178.57 1bal s ASP 26 N 1.72 5.05 0.62 2.29 2.15 -1.26 -4.77 116.67 122.46 1bal s ASP 26 Ca 0.07 1.14 0.27 0.00 0.43 0.00 0.00 52.55 54.46 1bal s ASP 26 Cb -0.18 -2.51 1.36 0.00 -0.30 0.00 0.00 42.92 41.29 1bal s ASP 26 CO 0.11 -2.40 1.78 0.00 -0.17 0.00 0.00 175.17 174.49 1bal h ALA 27 N 16.63 1.98 0.00 3.66 0.00 -1.95 0.69 119.26 140.27 1bal h ALA 27 Ca -0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1bal h ALA 27 Cb 1.22 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1bal h ALA 27 CO 1.11 -0.72 0.49 1.03 0.00 0.00 0.00 179.25 181.15 1bal h SER 28 N 0.00 0.00 0.00 0.00 0.87 -2.04 -0.68 113.55 111.70 1bal h SER 28 Ca 0.16 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.36 1bal h SER 28 Cb 1.25 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.16 1bal h SER 28 CO -0.00 0.00 -1.96 0.00 -0.53 0.00 0.00 176.83 174.34 1bal n ALA 29 N -1.68 1.01 -0.36 6.23 0.00 0.23 -4.97 120.51 120.98 1bal n ALA 29 Ca -0.01 -0.82 -0.25 0.00 0.00 0.00 0.00 53.44 52.36 1bal n ALA 29 Cb 0.51 -0.19 0.23 0.00 0.00 0.00 0.00 19.45 20.01 1bal n ALA 29 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1bal n ILE 30 N -4.33 0.00 -3.75 0.00 2.08 -0.26 -5.03 119.36 108.07 1bal n ILE 30 Ca -0.44 -0.03 -0.14 0.00 0.56 0.00 0.00 62.75 62.69 1bal n ILE 30 Cb 0.80 -0.78 -0.15 0.00 -0.75 0.00 0.00 39.64 38.76 1bal n ILE 30 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 1bal s LYS 31 N -4.38 0.07 0.65 0.38 2.20 -1.26 -5.00 119.74 112.40 1bal s LYS 31 Ca 0.54 0.34 -0.07 0.00 -0.36 0.00 0.00 55.97 56.42 1bal s LYS 31 Cb -0.10 -0.20 0.03 0.00 -1.51 0.00 0.00 37.83 36.05 1bal s LYS 31 CO 0.46 -0.17 0.98 0.20 -0.36 0.00 0.00 175.35 176.46 1bal s GLY 32 N 1.18 1.64 -0.02 5.54 0.00 -1.26 -4.87 107.32 109.53 1bal s GLY 32 Ca -0.09 -0.73 0.02 0.00 0.00 0.00 0.00 44.72 43.93 1bal s GLY 32 CO -0.05 -0.38 0.97 -1.30 0.00 0.00 0.00 173.10 172.33 1bal n THR 33 N -2.79 0.27 -1.50 0.90 -2.24 -1.22 -4.79 114.28 102.90 1bal n THR 33 Ca 0.06 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1bal n THR 33 Cb 0.59 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 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 -0.20 0.21 3.77 3.38 0.00 -1.22 -4.92 105.19 106.21 1bal n GLY 34 Ca 0.02 -1.84 -0.38 0.00 0.00 0.00 0.00 46.02 43.82 1bal n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bal s VAL 35 N 0.16 2.92 0.00 1.61 1.01 -1.26 -2.06 120.40 122.78 1bal s VAL 35 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 61.98 62.75 1bal s VAL 35 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1bal s VAL 35 CO 0.00 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.77 1bal n GLY 36 N 0.61 0.72 1.14 4.51 0.00 -1.26 -2.63 105.19 108.29 1bal n GLY 36 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.65 3.92 -0.02 0.00 -0.88 -5.06 105.19 101.80 1bal n GLY 37 Ca 0.00 -0.53 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 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 -4.17 3.55 -0.25 1.61 1.81 -1.08 -4.67 118.95 115.75 1bal s ARG 38 Ca 0.00 -0.06 -0.28 0.00 -1.72 0.00 0.00 55.73 53.67 1bal s ARG 38 Cb 0.00 -2.56 0.01 0.00 -0.45 0.00 0.00 34.95 31.95 1bal s ARG 38 CO 0.00 0.05 0.98 -1.17 -0.68 0.00 0.00 175.30 174.48 1bal s LEU 39 N -4.25 4.07 0.00 2.53 2.96 -1.26 -3.43 118.68 119.30 1bal s LEU 39 Ca 0.44 1.22 0.00 0.00 -0.22 0.00 0.00 54.13 55.57 1bal s LEU 39 Cb -0.10 -3.44 0.00 0.00 0.50 0.00 0.00 46.19 43.15 1bal s LEU 39 CO 0.37 -0.66 0.00 0.35 -1.32 0.00 0.00 176.35 175.09 1bal n THR 40 N 5.39 0.00 0.00 3.68 -2.24 -1.26 -5.03 114.28 114.82 1bal n THR 40 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1bal n THR 40 Cb 0.47 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 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 2.01 -0.00 -0.78 0.00 -1.26 -4.64 116.66 111.98 1bal n ARG 41 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 57.85 58.01 1bal n ARG 41 Cb 0.00 -0.88 0.90 0.00 0.00 0.00 0.00 32.46 32.48 1bal n ARG 41 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1bal n GLU 42 N -1.30 1.05 -0.10 -0.14 2.13 -1.26 -3.13 120.64 117.89 1bal n GLU 42 Ca 0.00 -0.07 -0.14 0.00 0.66 0.00 0.00 57.16 57.61 1bal n GLU 42 Cb 0.13 -1.49 -0.05 0.00 0.27 0.00 0.00 31.44 30.30 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 -0.91 1.89 -0.37 4.31 9.92 -1.26 -3.73 116.55 126.40 1bal n ASP 43 Ca 0.23 0.43 -0.01 0.00 -0.53 0.00 0.00 54.79 54.91 1bal n ASP 43 Cb 0.13 -0.83 0.13 0.00 -0.64 0.00 0.00 41.12 39.91 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 -1.00 1.23 0.03 2.53 2.07 -1.84 -2.57 116.25 116.71 1bal h VAL 44 Ca -0.19 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 1bal h VAL 44 Cb 1.03 -0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1bal h VAL 44 CO -0.12 0.24 -0.02 -0.08 0.02 0.00 0.00 177.57 177.62 1bal h GLU 45 N 1.32 -0.04 0.00 1.57 4.81 -1.76 -0.68 114.58 119.80 1bal h GLU 45 Ca 0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 1bal h GLU 45 Cb -0.11 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.28 1bal h GLU 45 CO -0.09 -0.01 0.05 1.17 -0.73 0.00 0.00 179.01 179.39 1bal n LYS 46 N -5.10 0.12 0.01 1.92 4.81 -1.00 0.05 118.16 118.98 1bal n LYS 46 Ca -0.07 0.62 0.11 0.00 -0.87 0.00 0.00 58.31 58.09 1bal n LYS 46 Cb 0.06 -1.95 -0.00 0.00 0.02 0.00 0.00 35.03 33.15 1bal n LYS 46 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 1bal n HIS 47 N -2.17 0.11 0.00 5.64 -0.00 -0.32 -4.75 115.22 113.72 1bal n HIS 47 Ca -0.01 0.03 0.00 0.00 0.46 0.00 0.00 57.72 58.20 1bal n HIS 47 Cb 0.08 -0.27 0.00 0.00 -0.12 0.00 0.00 29.99 29.68 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 -1.76 0.00 -4.68 0.27 4.77 0.11 -4.95 117.00 110.76 1bal n LEU 48 Ca 0.03 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.68 1bal n LEU 48 Cb 0.40 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.63 1bal n LEU 48 CO 0.41 0.00 0.73 0.00 -1.33 0.00 0.00 177.39 177.20 1bal s ALA 49 N -4.00 1.66 -0.11 -1.18 0.00 -1.23 -4.94 121.76 111.95 1bal s ALA 49 Ca 0.00 0.75 0.16 0.00 0.00 0.00 0.00 51.96 52.87 1bal s ALA 49 Cb 0.00 -3.48 -0.22 0.00 0.00 0.00 0.00 23.12 19.41 1bal s ALA 49 CO 0.00 -2.53 0.50 1.17 0.00 0.00 0.00 175.76 174.90 1bal n LYS 50 N -3.73 0.65 0.00 0.00 3.00 -1.26 -4.83 118.16 111.99 1bal n LYS 50 Ca 0.13 0.16 0.00 0.00 -0.00 0.00 0.00 58.31 58.60 1bal n LYS 50 Cb 0.51 -1.70 0.00 0.00 0.00 0.00 0.00 35.03 33.84 1bal n LYS 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40