#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 -2.33 -2.62 -3.48 0.00 -1.26 -4.96 120.51 105.86 1bal n ALA 2 Ca 0.00 -0.68 -0.28 0.00 0.00 0.00 0.00 53.44 52.48 1bal n ALA 2 Cb 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.36 1bal n ALA 2 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1bal s SER 3 N -2.05 6.42 0.04 0.00 0.01 -1.26 -5.01 113.70 111.85 1bal s SER 3 Ca 0.30 0.59 -0.10 0.00 1.31 0.00 0.00 55.95 58.04 1bal s SER 3 Cb -0.05 -2.09 -0.03 0.00 0.21 0.00 0.00 66.02 64.06 1bal s SER 3 CO 0.25 -0.14 1.17 -0.07 0.41 0.00 0.00 173.24 174.86 1bal h LEU 4 N 1.77 -0.58 -9.97 2.44 4.07 -2.10 -3.39 115.31 107.55 1bal h LEU 4 Ca -0.48 0.08 -0.46 0.00 0.08 0.00 0.00 57.88 57.10 1bal h LEU 4 Cb 1.19 0.24 -0.02 0.00 1.08 0.00 0.00 40.66 43.15 1bal h LEU 4 CO 0.67 -0.12 0.35 -1.83 -1.08 0.00 0.00 178.44 176.42 1bal s GLU 5 N -3.81 4.39 -0.36 1.13 -1.05 -1.26 -4.99 118.70 112.75 1bal s GLU 5 Ca -0.04 1.26 0.14 0.00 -0.15 0.00 0.00 54.97 56.17 1bal s GLU 5 Cb 0.03 -2.51 0.41 0.00 -0.44 0.00 0.00 34.13 31.62 1bal s GLU 5 CO 0.19 0.11 1.02 0.39 0.95 0.00 0.00 175.26 177.91 1bal n GLU 6 N -0.02 1.11 0.00 -4.83 1.02 -1.26 -5.05 120.64 111.62 1bal n GLU 6 Ca 0.04 -2.85 0.00 0.00 -0.02 0.00 0.00 57.16 54.34 1bal n GLU 6 Cb 0.52 -1.04 0.00 0.00 -0.02 0.00 0.00 31.44 30.90 1bal n GLU 6 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1bal n GLN 7 N -0.09 0.00 -1.46 3.49 7.27 -1.26 -3.38 117.38 121.95 1bal n GLN 7 Ca 0.09 0.00 -0.23 0.00 0.07 0.00 0.00 57.00 56.93 1bal n GLN 7 Cb 0.79 -0.09 -0.11 0.00 2.41 0.00 0.00 30.24 33.24 1bal n GLN 7 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1bal n ASN 8 N 0.00 1.62 -4.58 1.69 2.85 -1.26 -4.80 115.26 110.78 1bal n ASN 8 Ca 0.00 -2.54 -0.39 0.00 -0.11 0.00 0.00 54.58 51.54 1bal n ASN 8 Cb 0.00 -1.50 -0.02 0.00 1.24 0.00 0.00 39.78 39.50 1bal n ASN 8 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1bal s ASN 9 N 7.78 6.39 -0.06 1.20 6.03 -1.22 -4.88 114.94 130.18 1bal s ASN 9 Ca 0.76 -2.10 -0.04 0.00 -1.03 0.00 0.00 52.86 50.46 1bal s ASN 9 Cb 0.00 -2.58 0.03 0.00 -3.03 0.00 0.00 41.25 35.67 1bal s ASN 9 CO 0.21 -1.63 0.15 -0.62 -2.03 0.00 0.00 177.10 173.17 1bal s ASP 10 N 4.90 -0.13 -0.16 3.54 -1.08 -1.26 -5.15 116.67 117.33 1bal s ASP 10 Ca 0.56 0.30 -0.23 0.00 -0.52 0.00 0.00 52.55 52.66 1bal s ASP 10 Cb 0.02 0.23 0.06 0.00 -1.46 0.00 0.00 42.92 41.77 1bal s ASP 10 CO 0.06 -0.11 0.61 0.00 0.52 0.00 0.00 175.17 176.24 1bal s ALA 11 N 0.78 -1.52 1.06 3.66 0.00 -1.26 -5.15 121.76 119.32 1bal s ALA 11 Ca -0.06 1.49 -0.21 0.00 0.00 0.00 0.00 51.96 53.18 1bal s ALA 11 Cb -0.08 -0.63 -0.00 0.00 0.00 0.00 0.00 23.12 22.42 1bal s ALA 11 CO -0.04 -0.31 -0.55 1.28 0.00 0.00 0.00 175.76 176.14 1bal n LEU 12 N 2.09 -2.51 -4.88 0.00 4.77 -1.26 -4.94 117.00 110.27 1bal n LEU 12 Ca -0.16 -0.11 -0.31 0.00 -0.03 0.00 0.00 56.01 55.40 1bal n LEU 12 Cb 0.56 -0.76 -0.05 0.00 -2.33 0.00 0.00 43.42 40.84 1bal n LEU 12 CO 0.13 -2.84 0.18 -0.55 -1.33 0.00 0.00 177.39 172.97 1bal s SER 13 N -1.52 6.56 0.30 -1.43 0.15 -1.26 -4.99 113.70 111.52 1bal s SER 13 Ca 0.46 0.81 0.01 0.00 0.70 0.00 0.00 55.95 57.93 1bal s SER 13 Cb -0.02 -2.18 0.47 0.00 -1.71 0.00 0.00 66.02 62.57 1bal s SER 13 CO 0.62 -0.07 1.84 1.55 1.20 0.00 0.00 173.24 178.38 1bal h PRO 14 N 2.44 0.72 -0.87 5.44 0.13 -2.05 -2.20 132.00 135.61 1bal h PRO 14 Ca -0.47 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1bal h PRO 14 Cb 1.17 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1bal h PRO 14 CO 0.69 0.68 0.00 0.00 -0.23 0.00 0.00 178.00 179.14 1bal n ALA 15 N -2.47 2.76 0.02 -0.56 0.00 -1.26 -3.69 120.51 115.31 1bal n ALA 15 Ca 0.03 -0.37 -0.14 0.00 0.00 0.00 0.00 53.44 52.96 1bal n ALA 15 Cb 0.23 -1.02 -0.14 0.00 0.00 0.00 0.00 19.45 18.52 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 0.80 0.97 -0.14 0.00 2.10 -1.79 -3.20 117.51 116.25 1bal h ILE 16 Ca 0.00 -2.72 -0.18 0.00 1.08 0.00 0.00 64.86 63.05 1bal h ILE 16 Cb 0.76 2.59 -0.00 0.00 -1.09 0.00 0.00 36.82 39.08 1bal h ILE 16 CO 0.09 0.73 -0.64 0.03 -1.08 0.00 0.00 178.15 177.28 1bal h ARG 17 N 0.04 0.53 0.00 2.19 3.08 -1.76 -2.74 114.38 115.72 1bal h ARG 17 Ca -0.28 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.40 1bal h ARG 17 Cb 2.00 0.06 0.00 0.00 0.08 0.00 0.00 29.97 32.11 1bal h ARG 17 CO 0.11 0.99 0.00 0.00 -1.07 0.00 0.00 179.97 180.01 1bal h ARG 18 N 0.39 0.00 0.43 0.04 3.08 -1.77 -3.19 114.38 113.36 1bal h ARG 18 Ca -0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1bal h ARG 18 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1bal h ARG 18 CO 0.12 0.00 -0.21 1.25 -1.07 0.00 0.00 179.97 180.06 1bal h LEU 19 N 0.00 -0.49 -1.59 3.04 5.85 -1.47 -0.81 115.31 119.85 1bal h LEU 19 Ca 0.00 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.64 1bal h LEU 19 Cb 0.50 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 1bal h LEU 19 CO 0.00 -0.13 0.32 -0.07 -0.34 0.00 0.00 178.44 178.21 1bal h LEU 20 N -0.89 0.47 -1.09 2.25 3.38 -1.62 0.01 115.31 117.83 1bal h LEU 20 Ca -0.06 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 1bal h LEU 20 Cb 0.56 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1bal h LEU 20 CO 0.10 0.32 -0.41 0.00 0.09 0.00 0.00 178.44 178.54 1bal h ALA 21 N 1.72 1.13 -0.15 1.53 0.00 -1.52 1.76 119.26 123.74 1bal h ALA 21 Ca 0.19 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 1bal h ALA 21 Cb 0.09 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.82 1bal h ALA 21 CO -0.05 0.51 -0.50 1.49 0.00 0.00 0.00 179.25 180.70 1bal h GLU 22 N 0.00 0.61 -0.01 0.00 4.22 0.51 -3.23 114.58 116.67 1bal h GLU 22 Ca -0.00 -0.45 0.00 0.00 0.08 0.00 0.00 59.36 58.98 1bal h GLU 22 Cb 0.82 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1bal h GLU 22 CO 0.05 1.07 -0.55 0.72 -2.18 0.00 0.00 179.01 178.12 1bal n HIS 23 N -4.19 0.00 -3.19 0.92 -0.00 -0.86 -5.01 115.22 102.89 1bal n HIS 23 Ca -0.07 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.51 1bal n HIS 23 Cb 0.60 -0.04 0.01 0.00 -0.00 0.00 0.00 29.99 30.56 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 -0.56 -6.95 -3.99 0.41 3.02 0.60 -5.02 115.26 102.76 1bal n ASN 24 Ca 0.08 -0.01 -0.09 0.00 -0.03 0.00 0.00 54.58 54.53 1bal n ASN 24 Cb 0.41 -4.06 -0.10 0.00 -0.61 0.00 0.00 39.78 35.41 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 -3.36 2.19 -0.35 3.41 1.43 -0.96 -5.03 118.68 116.01 1bal s LEU 25 Ca 0.16 -0.63 -0.19 0.00 -1.03 0.00 0.00 54.13 52.44 1bal s LEU 25 Cb -0.03 0.25 -0.00 0.00 0.03 0.00 0.00 46.19 46.44 1bal s LEU 25 CO 0.81 -0.43 0.57 -0.62 0.23 0.00 0.00 176.35 176.91 1bal s ASP 26 N -1.99 6.37 0.43 2.29 2.15 -1.26 -4.85 116.67 119.82 1bal s ASP 26 Ca -0.08 0.06 0.13 0.00 0.43 0.00 0.00 52.55 53.10 1bal s ASP 26 Cb -0.03 -2.30 1.01 0.00 -0.30 0.00 0.00 42.92 41.30 1bal s ASP 26 CO -0.04 -0.53 1.99 0.00 -0.17 0.00 0.00 175.17 176.42 1bal h ALA 27 N 8.45 1.98 0.00 3.66 0.00 -1.99 0.18 119.26 131.55 1bal h ALA 27 Ca -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1bal h ALA 27 Cb 1.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1bal h ALA 27 CO 0.80 -0.10 0.04 0.77 0.00 0.00 0.00 179.25 180.76 1bal h SER 28 N 0.42 0.00 1.21 0.00 0.02 -2.04 0.22 113.55 113.38 1bal h SER 28 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1bal h SER 28 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1bal h SER 28 CO -0.07 0.00 -0.59 0.00 -1.14 0.00 0.00 176.83 175.03 1bal h ALA 29 N 1.92 0.67 -2.60 3.77 0.00 -1.04 -3.46 119.26 118.52 1bal h ALA 29 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1bal h ALA 29 Cb 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1bal h ALA 29 CO 0.00 0.00 -0.14 0.42 0.00 0.00 0.00 179.25 179.53 1bal s ILE 30 N -3.25 4.94 -0.49 0.00 -1.09 0.76 -5.02 121.20 117.05 1bal s ILE 30 Ca 0.04 0.63 -0.28 0.00 -2.23 0.00 0.00 60.65 58.81 1bal s ILE 30 Cb 0.10 -3.68 0.03 0.00 -1.58 0.00 0.00 42.46 37.33 1bal s ILE 30 CO 0.73 0.18 1.08 -0.54 -1.23 0.00 0.00 174.94 175.16 1bal s LYS 31 N -2.16 3.64 -1.07 2.79 -0.14 -1.26 -4.96 119.74 116.58 1bal s LYS 31 Ca 0.39 0.40 -0.15 0.00 -1.36 0.00 0.00 55.97 55.25 1bal s LYS 31 Cb -0.14 -3.93 0.18 0.00 -1.68 0.00 0.00 37.83 32.26 1bal s LYS 31 CO 0.20 -1.38 1.23 0.20 -0.76 0.00 0.00 175.35 174.84 1bal s GLY 32 N 2.47 2.40 -0.51 -3.33 0.00 -1.26 -4.85 107.32 102.25 1bal s GLY 32 Ca 0.44 -3.24 -0.02 0.00 0.00 0.00 0.00 44.72 41.90 1bal s GLY 32 CO 0.30 1.86 2.23 -1.30 0.00 0.00 0.00 173.10 176.19 1bal n THR 33 N 4.57 3.23 -2.70 0.90 -2.24 -1.25 -3.27 114.28 113.52 1bal n THR 33 Ca 0.29 -2.66 -0.08 0.00 -2.27 0.00 0.00 64.05 59.33 1bal n THR 33 Cb 0.45 -1.35 0.03 0.00 -2.10 0.00 0.00 70.33 67.36 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 0.08 1.33 3.61 3.38 0.00 -0.52 -4.82 105.19 108.25 1bal n GLY 34 Ca 0.46 -2.07 -0.53 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.69 0.35 -1.42 1.61 0.31 -1.26 0.10 118.33 116.33 1bal n VAL 35 Ca 0.06 -0.14 -0.05 0.00 -0.01 0.00 0.00 64.34 64.20 1bal n VAL 35 Cb 0.22 -1.55 -0.02 0.00 -0.91 0.00 0.00 33.84 31.58 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 5.06 0.58 2.46 2.92 0.00 -1.26 -2.99 105.19 111.96 1bal n GLY 36 Ca 0.30 -0.80 -0.16 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.99 -0.26 3.96 -0.02 0.00 0.29 -5.00 105.19 102.16 1bal n GLY 37 Ca -0.05 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 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 -5.03 3.11 0.10 1.61 0.52 -1.16 -4.60 118.95 113.50 1bal s ARG 38 Ca 0.09 -0.56 -0.28 0.00 -0.52 0.00 0.00 55.73 54.46 1bal s ARG 38 Cb -0.04 -2.61 -0.06 0.00 0.52 0.00 0.00 34.95 32.76 1bal s ARG 38 CO 0.11 -0.17 0.90 -1.17 0.02 0.00 0.00 175.30 174.99 1bal s LEU 39 N -4.47 4.49 0.00 2.53 2.96 -1.26 -1.45 118.68 121.48 1bal s LEU 39 Ca 0.47 1.69 0.00 0.00 -0.22 0.00 0.00 54.13 56.07 1bal s LEU 39 Cb -0.10 -3.48 0.00 0.00 0.50 0.00 0.00 46.19 43.11 1bal s LEU 39 CO 0.37 -0.03 0.00 0.35 -1.32 0.00 0.00 176.35 175.71 1bal n THR 40 N 2.74 0.00 -0.05 3.68 -2.24 -1.26 -4.96 114.28 112.19 1bal n THR 40 Ca 0.01 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 1bal n THR 40 Cb 0.49 -0.18 -0.16 0.00 -2.10 0.00 0.00 70.33 68.38 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 0.67 -0.85 -0.78 0.63 -1.26 -4.28 116.66 110.79 1bal n ARG 41 Ca 0.00 -0.11 -0.17 0.00 -0.92 0.00 0.00 57.85 56.65 1bal n ARG 41 Cb 0.00 -1.53 0.08 0.00 0.45 0.00 0.00 32.46 31.46 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 -2.49 1.86 0.04 -0.14 1.02 -1.26 -4.29 120.64 115.38 1bal n GLU 42 Ca -0.17 -1.84 -0.00 0.00 -0.02 0.00 0.00 57.16 55.13 1bal n GLU 42 Cb 0.83 -1.72 -0.00 0.00 -0.02 0.00 0.00 31.44 30.53 1bal n GLU 42 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1bal n ASP 43 N -0.19 0.82 0.22 1.62 8.00 -1.26 -4.65 116.55 121.11 1bal n ASP 43 Ca 0.36 0.10 0.06 0.00 0.71 0.00 0.00 54.79 56.03 1bal n ASP 43 Cb 0.89 -0.25 0.34 0.00 -0.02 0.00 0.00 41.12 42.08 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 -0.01 0.00 0.17 2.53 2.07 -1.81 -1.79 116.25 117.41 1bal h VAL 44 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1bal h VAL 44 Cb 0.01 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1bal h VAL 44 CO 0.00 0.00 -0.08 -0.33 0.02 0.00 0.00 177.57 177.18 1bal h GLU 45 N 0.00 -0.22 -1.52 1.57 4.39 -1.83 0.26 114.58 117.23 1bal h GLU 45 Ca 0.00 0.01 0.44 0.00 0.34 0.00 0.00 59.36 60.16 1bal h GLU 45 Cb 0.97 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.60 1bal h GLU 45 CO 0.00 -0.15 1.08 -0.22 -1.16 0.00 0.00 179.01 178.56 1bal h LYS 46 N -0.41 0.03 0.03 2.33 3.64 -1.59 0.31 116.57 120.91 1bal h LYS 46 Ca -0.02 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 1bal h LYS 46 Cb 0.17 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1bal h LYS 46 CO 0.04 0.02 -0.29 1.25 -2.27 0.00 0.00 179.45 178.20 1bal h HIS 47 N 0.03 0.13 -0.93 1.91 2.76 -1.50 -3.30 115.15 114.24 1bal h HIS 47 Ca 0.74 -0.09 0.19 0.00 -2.20 0.00 0.00 60.37 59.01 1bal h HIS 47 Cb 2.88 -0.01 -0.08 0.00 1.55 0.00 0.00 27.41 31.76 1bal h HIS 47 CO -0.00 1.11 0.60 -0.07 -1.30 0.00 0.00 177.93 178.27 1bal h LEU 48 N -0.85 0.53-10.41 0.26 3.38 0.32 -3.41 115.31 105.14 1bal h LEU 48 Ca -0.06 0.05 -0.45 0.00 0.09 0.00 0.00 57.88 57.51 1bal h LEU 48 Cb 1.17 -0.04 0.03 0.00 0.09 0.00 0.00 40.66 41.91 1bal h LEU 48 CO 0.02 0.22 -0.08 0.00 0.09 0.00 0.00 178.44 178.68 1bal s ALA 49 N -5.57 3.83 -0.23 1.53 0.00 -0.27 -5.04 121.76 116.02 1bal s ALA 49 Ca -0.09 -1.16 -0.01 0.00 0.00 0.00 0.00 51.96 50.70 1bal s ALA 49 Cb 0.23 -2.10 -0.19 0.00 0.00 0.00 0.00 23.12 21.06 1bal s ALA 49 CO 0.79 -0.49 -0.10 1.63 0.00 0.00 0.00 175.76 177.59 1bal n LYS 50 N -2.15 0.67 0.00 0.00 5.02 -1.26 -4.88 118.16 115.56 1bal n LYS 50 Ca 0.04 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1bal n LYS 50 Cb 0.58 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1bal n LYS 50 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88