#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 1.64 1.34 -0.72 0.00 -1.26 -4.93 120.51 116.58 1bal n ALA 2 Ca 0.00 -2.68 0.13 0.00 0.00 0.00 0.00 53.44 50.89 1bal n ALA 2 Cb 0.00 -0.93 0.42 0.00 0.00 0.00 0.00 19.45 18.94 1bal n ALA 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1bal n SER 3 N 2.47 1.27 -0.04 0.00 7.64 -1.26 -3.68 113.62 120.02 1bal n SER 3 Ca 0.25 -1.16 -0.16 0.00 1.01 0.00 0.00 58.87 58.80 1bal n SER 3 Cb 0.51 0.08 -0.07 0.00 -1.01 0.00 0.00 64.21 63.73 1bal n SER 3 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1bal h LEU 4 N 1.75 0.79 0.00 -3.43 6.46 -1.98 -3.03 115.31 115.87 1bal h LEU 4 Ca 0.00 -0.60 -0.01 0.00 -0.12 0.00 0.00 57.88 57.14 1bal h LEU 4 Cb 0.52 -0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 40.21 1bal h LEU 4 CO 0.00 1.26 -0.61 1.05 -0.62 0.00 0.00 178.44 179.52 1bal h GLU 5 N 0.37 0.00 -0.09 1.25 9.09 -2.00 -3.29 114.58 119.91 1bal h GLU 5 Ca -0.02 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.29 1bal h GLU 5 Cb 1.20 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.28 1bal h GLU 5 CO 0.12 0.04 -0.36 1.49 0.05 0.00 0.00 179.01 180.35 1bal h GLU 6 N 0.00 0.19 -5.39 1.06 4.57 -1.63 -3.40 114.58 109.98 1bal h GLU 6 Ca -0.01 -0.08 -0.12 0.00 -1.18 0.00 0.00 59.36 57.97 1bal h GLU 6 Cb 1.05 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.63 1bal h GLU 6 CO 0.01 0.53 0.45 0.94 -1.18 0.00 0.00 179.01 179.75 1bal n GLN 7 N -4.08 0.65 -1.55 1.92 0.00 -1.15 -4.91 117.38 108.27 1bal n GLN 7 Ca -0.01 -0.63 -0.31 0.00 -0.00 0.00 0.00 57.00 56.04 1bal n GLN 7 Cb 0.43 -3.57 0.06 0.00 0.00 0.00 0.00 30.24 27.16 1bal n GLN 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1bal s ASN 8 N 10.97 5.22 0.45 1.69 4.22 -1.26 -4.84 114.94 131.38 1bal s ASN 8 Ca 0.95 1.69 0.00 0.00 -2.14 0.00 0.00 52.86 53.37 1bal s ASN 8 Cb -0.17 -2.51 0.00 0.00 1.28 0.00 0.00 41.25 39.86 1bal s ASN 8 CO 0.14 -1.55 0.00 0.59 -2.04 0.00 0.00 177.10 174.24 1bal n ASN 9 N -3.10 -6.34 -2.72 3.54 3.02 -1.26 -4.94 115.26 103.46 1bal n ASN 9 Ca 0.08 1.02 -0.07 0.00 -0.03 0.00 0.00 54.58 55.58 1bal n ASN 9 Cb 0.53 -4.15 0.08 0.00 -0.61 0.00 0.00 39.78 35.63 1bal n ASN 9 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1bal n ASP 10 N -4.15 -2.22 0.00 6.41 8.00 -1.26 -5.06 116.55 118.27 1bal n ASP 10 Ca -0.06 -2.94 0.00 0.00 0.71 0.00 0.00 54.79 52.50 1bal n ASP 10 Cb 0.58 1.56 0.00 0.00 -0.02 0.00 0.00 41.12 43.24 1bal n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bal n ALA 11 N 1.09 0.00 -1.51 2.24 0.00 -1.26 -4.88 120.51 116.19 1bal n ALA 11 Ca 0.05 -0.02 -0.47 0.00 0.00 0.00 0.00 53.44 53.00 1bal n ALA 11 Cb 0.68 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.11 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 -1.18 0.58 -4.78 0.00 4.77 -1.26 -4.94 117.00 110.19 1bal n LEU 12 Ca 0.00 1.16 -0.36 0.00 -0.03 0.00 0.00 56.01 56.78 1bal n LEU 12 Cb 0.00 -1.15 -0.08 0.00 -2.33 0.00 0.00 43.42 39.87 1bal n LEU 12 CO 0.00 -2.00 -0.23 -0.44 -1.33 0.00 0.00 177.39 173.38 1bal s SER 13 N -0.67 5.86 0.27 -1.43 0.01 -1.26 -5.00 113.70 111.49 1bal s SER 13 Ca 0.63 0.30 -0.03 0.00 1.31 0.00 0.00 55.95 58.16 1bal s SER 13 Cb -0.81 -1.82 0.36 0.00 0.21 0.00 0.00 66.02 63.95 1bal s SER 13 CO 0.58 0.37 1.87 1.55 0.41 0.00 0.00 173.24 178.02 1bal h PRO 14 N 5.22 1.02 0.00 12.44 0.13 -2.00 -1.28 132.00 147.53 1bal h PRO 14 Ca -0.52 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1bal h PRO 14 Cb 1.21 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1bal h PRO 14 CO 0.58 0.79 0.00 0.00 -0.23 0.00 0.00 178.00 179.14 1bal n ALA 15 N -2.44 1.33 0.32 -0.56 0.00 -1.26 -2.96 120.51 114.96 1bal n ALA 15 Ca 0.07 -0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.55 1bal n ALA 15 Cb 0.14 -1.07 0.32 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 0.00 0.00 0.00 2.10 -1.64 0.38 117.51 118.35 1bal h ILE 16 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.93 1bal h ILE 16 Cb 0.05 0.26 -0.00 0.00 -1.09 0.00 0.00 36.82 36.04 1bal h ILE 16 CO 0.00 0.00 -0.18 0.03 -1.08 0.00 0.00 178.15 176.92 1bal h ARG 17 N 0.00 0.00 -0.24 2.19 3.08 -1.79 -3.31 114.38 114.30 1bal h ARG 17 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bal h ARG 17 Cb 1.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.49 1bal h ARG 17 CO 0.00 0.07 0.00 0.54 -1.07 0.00 0.00 179.97 179.51 1bal n ARG 18 N -4.72 0.62 0.09 0.04 1.74 -0.04 -3.17 116.66 111.22 1bal n ARG 18 Ca -0.03 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.83 1bal n ARG 18 Cb 0.12 -1.12 -0.15 0.00 -1.02 0.00 0.00 32.46 30.29 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 0.15 0.64 -1.17 0.55 5.85 -1.20 -3.04 115.31 117.09 1bal h LEU 19 Ca 0.00 -0.92 -0.05 0.00 0.84 0.00 0.00 57.88 57.75 1bal h LEU 19 Cb 0.12 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1bal h LEU 19 CO 0.00 1.52 -0.24 -0.07 -0.34 0.00 0.00 178.44 179.30 1bal h LEU 20 N -0.13 0.00 0.00 2.25 3.38 -1.76 -2.36 115.31 116.70 1bal h LEU 20 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1bal h LEU 20 Cb 1.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.59 1bal h LEU 20 CO 0.20 0.24 -0.11 0.00 0.09 0.00 0.00 178.44 178.87 1bal n ALA 21 N -2.25 2.50 1.14 1.53 0.00 -1.23 0.35 120.51 122.55 1bal n ALA 21 Ca -0.00 -0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.44 1bal n ALA 21 Cb 0.42 -1.41 0.21 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.78 1.89 0.00 0.00 2.13 -0.89 -4.46 120.64 117.53 1bal n GLU 22 Ca 0.06 -1.45 0.00 0.00 0.66 0.00 0.00 57.16 56.43 1bal n GLU 22 Cb 0.37 -1.47 0.00 0.00 0.27 0.00 0.00 31.44 30.61 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 0.71 0.00 -2.89 4.31 8.25 -1.17 -5.05 115.22 119.38 1bal n HIS 23 Ca 0.14 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.50 1bal n HIS 23 Cb 0.50 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.65 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 -1.04 -3.38 -4.82 0.41 4.05 0.15 -5.01 115.26 105.62 1bal n ASN 24 Ca 0.00 -0.25 -0.38 0.00 0.45 0.00 0.00 54.58 54.40 1bal n ASN 24 Cb 0.12 -2.56 -0.06 0.00 1.23 0.00 0.00 39.78 38.51 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 -3.89 4.44 -0.54 1.20 1.43 -1.25 -5.03 118.68 115.05 1bal s LEU 25 Ca 0.18 0.91 -0.25 0.00 -1.03 0.00 0.00 54.13 53.95 1bal s LEU 25 Cb -0.08 -2.58 0.04 0.00 0.03 0.00 0.00 46.19 43.60 1bal s LEU 25 CO 0.33 0.27 0.97 1.51 0.23 0.00 0.00 176.35 179.66 1bal s ASP 26 N -0.78 6.39 0.00 2.29 -4.77 -1.26 -4.86 116.67 113.68 1bal s ASP 26 Ca 0.23 -0.19 0.05 0.00 -3.30 0.00 0.00 52.55 49.34 1bal s ASP 26 Cb -0.16 -2.45 0.30 0.00 -1.09 0.00 0.00 42.92 39.51 1bal s ASP 26 CO 0.12 -1.22 0.71 0.00 0.70 0.00 0.00 175.17 175.48 1bal n ALA 27 N 7.53 1.93 0.27 2.11 0.00 -1.26 -2.39 120.51 128.69 1bal n ALA 27 Ca 0.04 -0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1bal n ALA 27 Cb 0.48 -1.08 0.39 0.00 0.00 0.00 0.00 19.45 19.23 1bal n ALA 27 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1bal h SER 28 N 0.00 0.00 0.08 0.00 0.02 -1.99 -2.98 113.55 108.68 1bal h SER 28 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1bal h SER 28 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1bal h SER 28 CO 0.00 0.00 -0.74 0.00 -1.14 0.00 0.00 176.83 174.95 1bal n ALA 29 N -2.07 4.16 -2.62 3.77 0.00 -1.01 -4.93 120.51 117.81 1bal n ALA 29 Ca 0.03 -0.57 -0.30 0.00 0.00 0.00 0.00 53.44 52.60 1bal n ALA 29 Cb 0.43 -0.85 -0.04 0.00 0.00 0.00 0.00 19.45 18.99 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 -2.82 5.11 0.11 0.00 -1.09 -1.13 -5.10 121.20 116.28 1bal s ILE 30 Ca 0.12 0.01 -0.01 0.00 -2.23 0.00 0.00 60.65 58.54 1bal s ILE 30 Cb 0.17 -3.67 0.02 0.00 -1.58 0.00 0.00 42.46 37.40 1bal s ILE 30 CO 0.74 -0.11 0.15 2.29 -1.23 0.00 0.00 174.94 176.79 1bal n LYS 31 N -0.35 0.08 -3.68 2.79 2.85 -1.26 -5.01 118.16 113.58 1bal n LYS 31 Ca -0.02 -0.29 -0.09 0.00 -1.05 0.00 0.00 58.31 56.86 1bal n LYS 31 Cb 0.53 -0.14 -0.10 0.00 -0.65 0.00 0.00 35.03 34.67 1bal n LYS 31 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1bal s GLY 32 N -3.14 -0.42 -0.38 2.58 0.00 -1.26 -4.84 107.32 99.86 1bal s GLY 32 Ca 0.09 1.80 0.02 0.00 0.00 0.00 0.00 44.72 46.63 1bal s GLY 32 CO 0.06 1.90 0.28 -0.51 0.00 0.00 0.00 173.10 174.84 1bal s THR 33 N 1.46 0.21 0.33 0.90 -4.23 -1.20 -4.76 115.64 108.35 1bal s THR 33 Ca -0.10 -2.15 0.05 0.00 -1.18 0.00 0.00 61.69 58.31 1bal s THR 33 Cb -0.07 -1.16 -0.02 0.00 1.34 0.00 0.00 72.50 72.58 1bal s THR 33 CO -0.15 -1.10 0.32 -0.83 -0.54 0.00 0.00 174.62 172.32 1bal s GLY 34 N 0.57 2.16 -0.19 3.99 0.00 -1.23 -4.89 107.32 107.74 1bal s GLY 34 Ca 0.26 -1.96 -0.33 0.00 0.00 0.00 0.00 44.72 42.69 1bal s GLY 34 CO -0.10 -1.38 2.06 -0.62 0.00 0.00 0.00 173.10 173.07 1bal n VAL 35 N -0.61 0.42 0.00 1.40 0.31 -1.26 0.37 118.33 118.96 1bal n VAL 35 Ca 0.06 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1bal n VAL 35 Cb 0.62 -2.03 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 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 5.37 3.16 0.18 2.92 0.00 -1.26 -4.13 105.19 111.43 1bal n GLY 36 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 0.79 4.02 -0.02 0.00 0.16 -5.11 105.19 103.03 1bal n GLY 37 Ca 0.00 -0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 1bal n GLY 37 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1bal s ARG 38 N -0.30 2.08 -0.39 1.61 1.70 -1.25 -4.79 118.95 117.61 1bal s ARG 38 Ca 0.00 -1.40 -0.13 0.00 -0.47 0.00 0.00 55.73 53.73 1bal s ARG 38 Cb 0.00 -2.52 0.02 0.00 -0.57 0.00 0.00 34.95 31.88 1bal s ARG 38 CO 0.00 -1.07 0.26 -1.17 -1.08 0.00 0.00 175.30 172.24 1bal s LEU 39 N -4.85 4.92 0.00 -1.89 2.96 -1.26 -3.27 118.68 115.29 1bal s LEU 39 Ca 0.63 -0.88 0.00 0.00 -0.22 0.00 0.00 54.13 53.66 1bal s LEU 39 Cb -0.06 -2.11 0.00 0.00 0.50 0.00 0.00 46.19 44.52 1bal s LEU 39 CO 0.41 -0.41 0.00 0.35 -1.32 0.00 0.00 176.35 175.38 1bal n THR 40 N 5.10 0.00 -0.05 3.68 -2.24 -1.26 -5.04 114.28 114.48 1bal n THR 40 Ca -0.11 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.69 1bal n THR 40 Cb 0.47 -0.16 -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 0.70 0.00 -0.78 3.00 -1.26 -4.18 116.66 114.14 1bal n ARG 41 Ca 0.00 -0.12 0.03 0.00 -0.00 0.00 0.00 57.85 57.76 1bal n ARG 41 Cb 0.00 -1.51 0.15 0.00 0.00 0.00 0.00 32.46 31.10 1bal n ARG 41 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1bal n GLU 42 N -2.44 0.10 -0.13 -0.14 1.02 -1.26 -0.43 120.64 117.35 1bal n GLU 42 Ca -0.15 0.18 -0.22 0.00 -0.02 0.00 0.00 57.16 56.95 1bal n GLU 42 Cb 0.80 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.60 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 -1.22 1.99 -0.01 1.62 8.00 -1.26 -4.41 116.55 121.26 1bal n ASP 43 Ca 0.03 0.02 0.13 0.00 0.71 0.00 0.00 54.79 55.67 1bal n ASP 43 Cb 0.04 -0.54 0.38 0.00 -0.02 0.00 0.00 41.12 40.99 1bal n ASP 43 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1bal n VAL 44 N -3.57 0.00 0.06 2.53 0.31 -0.94 -4.03 118.33 112.69 1bal n VAL 44 Ca -0.48 -0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 63.72 1bal n VAL 44 Cb 0.95 -0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.80 1bal n VAL 44 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1bal h GLU 45 N 0.03 -0.08 0.00 5.55 5.08 -0.96 -1.23 114.58 122.98 1bal h GLU 45 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1bal h GLU 45 Cb 0.50 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1bal h GLU 45 CO 0.00 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.64 1bal n LYS 46 N -5.10 0.72 -0.01 2.33 5.02 -1.26 -2.52 118.16 117.34 1bal n LYS 46 Ca -0.08 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.27 1bal n LYS 46 Cb 0.09 -1.03 -0.14 0.00 -0.02 0.00 0.00 35.03 33.93 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 -0.53 0.18 -1.40 2.13 -0.00 -0.47 -4.35 115.22 110.79 1bal n HIS 47 Ca 0.01 0.06 -0.27 0.00 0.46 0.00 0.00 57.72 57.97 1bal n HIS 47 Cb 0.00 -0.70 -0.00 0.00 -0.12 0.00 0.00 29.99 29.17 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 -2.45 6.78 -3.12 0.27 4.77 -1.05 -4.61 117.00 117.58 1bal n LEU 48 Ca -0.10 -4.03 -0.17 0.00 -0.03 0.00 0.00 56.01 51.67 1bal n LEU 48 Cb 0.71 -1.14 -0.05 0.00 -2.33 0.00 0.00 43.42 40.61 1bal n LEU 48 CO 0.45 1.59 -0.13 0.00 -1.33 0.00 0.00 177.39 177.96 1bal n ALA 49 N 0.33 0.89 0.02 -1.18 0.00 -1.26 -4.97 120.51 114.33 1bal n ALA 49 Ca 0.47 -2.26 -0.03 0.00 0.00 0.00 0.00 53.44 51.62 1bal n ALA 49 Cb 0.52 -1.06 0.21 0.00 0.00 0.00 0.00 19.45 19.12 1bal n ALA 49 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1bal h LYS 50 N 5.28 0.47 0.00 0.00 3.64 -1.93 -3.52 116.57 120.51 1bal h LYS 50 Ca 0.17 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1bal h LYS 50 Cb 0.99 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1bal h LYS 50 CO 0.23 0.68 0.00 0.00 -2.27 0.00 0.00 179.45 178.09