#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 1.35 -1.88 -0.72 0.00 -1.26 -4.51 120.51 113.49 1bal n ALA 2 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1bal n ALA 2 Cb 0.00 -2.77 0.00 0.00 0.00 0.00 0.00 19.45 16.68 1bal n ALA 2 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1bal n SER 3 N 11.30 0.00 -0.07 0.00 3.41 -1.26 -4.91 113.62 122.09 1bal n SER 3 Ca 0.37 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.98 1bal n SER 3 Cb 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 1bal n SER 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bal n LEU 4 N 0.00 0.00 -3.22 1.04 -0.00 -1.26 -5.02 117.00 108.54 1bal n LEU 4 Ca 0.00 -0.31 -0.03 0.00 -0.00 0.00 0.00 56.01 55.66 1bal n LEU 4 Cb 0.27 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.67 1bal n LEU 4 CO 0.00 0.25 0.04 -0.70 -0.00 0.00 0.00 177.39 176.98 1bal s GLU 5 N 0.00 0.80 0.20 1.47 2.12 -1.26 -5.02 118.70 117.01 1bal s GLU 5 Ca 0.00 -0.44 0.00 0.00 0.36 0.00 0.00 54.97 54.89 1bal s GLU 5 Cb 0.00 -0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.31 1bal s GLU 5 CO 0.00 -1.20 0.00 -1.91 -0.54 0.00 0.00 175.26 171.61 1bal n GLU 6 N 4.30 0.00 -4.15 4.30 2.13 -1.26 -4.96 120.64 121.00 1bal n GLU 6 Ca 0.12 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.63 1bal n GLU 6 Cb 0.54 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.17 1bal n GLU 6 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1bal s GLN 7 N -1.53 2.46 0.00 5.31 -0.21 -1.26 -5.10 119.66 119.33 1bal s GLN 7 Ca 0.00 -0.88 0.00 0.00 0.02 0.00 0.00 55.36 54.50 1bal s GLN 7 Cb 0.00 -2.49 0.00 0.00 1.00 0.00 0.00 33.01 31.52 1bal s GLN 7 CO 0.00 0.53 0.00 0.09 -2.12 0.00 0.00 175.29 173.79 1bal n ASN 8 N 0.59 0.17 -4.78 5.90 3.02 -1.26 -5.14 115.26 113.76 1bal n ASN 8 Ca -0.11 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.06 1bal n ASN 8 Cb 0.52 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.63 1bal n ASN 8 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1bal s ASN 9 N 1.46 7.33 -0.36 6.41 4.22 -1.26 -4.97 114.94 127.77 1bal s ASN 9 Ca 0.00 1.73 0.13 0.00 -2.14 0.00 0.00 52.86 52.58 1bal s ASN 9 Cb 0.00 -2.54 0.42 0.00 1.28 0.00 0.00 41.25 40.41 1bal s ASN 9 CO 0.00 0.02 1.28 -0.67 -2.04 0.00 0.00 177.10 175.69 1bal n ASP 10 N 0.87 -0.77 0.00 3.54 2.03 -1.26 -5.05 116.55 115.91 1bal n ASP 10 Ca -0.01 -2.44 0.00 0.00 0.52 0.00 0.00 54.79 52.87 1bal n ASP 10 Cb 0.50 0.48 0.00 0.00 -0.72 0.00 0.00 41.12 41.38 1bal n ASP 10 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bal n ALA 11 N -0.65 0.33 -2.22 -1.67 0.00 -1.26 -5.11 120.51 109.93 1bal n ALA 11 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.03 1bal n ALA 11 Cb 0.84 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.23 1bal n ALA 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1bal s LEU 12 N 0.00 4.54 0.26 0.00 1.43 -1.26 -5.00 118.68 118.65 1bal s LEU 12 Ca 0.00 1.35 -0.02 0.00 -1.03 0.00 0.00 54.13 54.43 1bal s LEU 12 Cb 0.00 -2.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.18 1bal s LEU 12 CO 0.00 0.25 0.48 -0.55 0.23 0.00 0.00 176.35 176.76 1bal s SER 13 N -1.04 6.38 0.11 2.29 0.15 -1.26 -5.01 113.70 115.32 1bal s SER 13 Ca 0.31 0.51 -0.18 0.00 0.70 0.00 0.00 55.95 57.29 1bal s SER 13 Cb -0.20 -2.06 -0.05 0.00 -1.71 0.00 0.00 66.02 62.00 1bal s SER 13 CO 0.21 -0.15 1.61 1.55 1.20 0.00 0.00 173.24 177.65 1bal h PRO 14 N 1.59 0.48 0.00 5.44 0.13 -2.04 -2.36 132.00 135.24 1bal h PRO 14 Ca -0.48 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 1bal h PRO 14 Cb 1.20 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1bal h PRO 14 CO 0.66 0.55 0.00 0.00 -0.23 0.00 0.00 178.00 178.97 1bal n ALA 15 N -2.31 1.82 0.32 -0.56 0.00 -1.26 -3.32 120.51 115.20 1bal n ALA 15 Ca -0.02 -0.07 0.07 0.00 0.00 0.00 0.00 53.44 53.42 1bal n ALA 15 Cb 0.18 -1.26 0.34 0.00 0.00 0.00 0.00 19.45 18.70 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 0.08 0.00 2.10 -1.82 1.90 117.51 119.78 1bal h ILE 16 Ca 0.00 0.00 -0.28 0.00 1.08 0.00 0.00 64.86 65.66 1bal h ILE 16 Cb 0.22 0.27 -0.01 0.00 -1.09 0.00 0.00 36.82 36.20 1bal h ILE 16 CO 0.00 0.00 -1.48 0.03 -1.08 0.00 0.00 178.15 175.62 1bal h ARG 17 N 0.00 0.18 -0.25 2.19 2.47 -1.79 -3.35 114.38 113.83 1bal h ARG 17 Ca 0.01 -0.31 0.00 0.00 -1.26 0.00 0.00 59.98 58.42 1bal h ARG 17 Cb 1.48 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.91 1bal h ARG 17 CO -0.00 1.15 0.00 0.54 0.56 0.00 0.00 179.97 182.22 1bal n ARG 18 N -3.97 1.96 0.20 0.04 3.00 0.22 -3.99 116.66 114.12 1bal n ARG 18 Ca -0.28 -1.46 0.05 0.00 -0.01 0.00 0.00 57.85 56.16 1bal n ARG 18 Cb 0.87 -1.42 0.40 0.00 0.00 0.00 0.00 32.46 32.31 1bal n ARG 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1bal h LEU 19 N 2.84 0.00 0.00 0.55 5.85 0.25 0.91 115.31 125.71 1bal h LEU 19 Ca 0.00 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.53 1bal h LEU 19 Cb 0.63 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 1bal h LEU 19 CO 0.00 0.34 -1.10 -0.07 -0.34 0.00 0.00 178.44 177.27 1bal h LEU 20 N 0.00 0.00 0.23 2.25 3.38 -1.80 -3.26 115.31 116.11 1bal h LEU 20 Ca -0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 1bal h LEU 20 Cb 0.73 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.50 1bal h LEU 20 CO 0.04 0.75 -1.61 0.00 0.09 0.00 0.00 178.44 177.72 1bal h ALA 21 N 1.25 -0.03 -0.63 1.53 0.00 -1.70 0.75 119.26 120.43 1bal h ALA 21 Ca -0.10 -0.98 0.07 0.00 0.00 0.00 0.00 54.91 53.90 1bal h ALA 21 Cb 1.66 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 19.69 1bal h ALA 21 CO 0.08 0.83 0.31 1.49 0.00 0.00 0.00 179.25 181.96 1bal h GLU 22 N 0.13 0.54 -0.01 0.00 4.81 -0.95 -0.88 114.58 118.23 1bal h GLU 22 Ca -0.30 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1bal h GLU 22 Cb 2.15 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 31.40 1bal h GLU 22 CO 0.24 0.36 -0.31 0.72 -0.73 0.00 0.00 179.01 179.29 1bal n HIS 23 N -4.87 0.00 -3.42 0.92 8.25 -1.23 -4.94 115.22 109.92 1bal n HIS 23 Ca 0.08 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.33 1bal n HIS 23 Cb 0.21 -0.07 0.07 0.00 1.12 0.00 0.00 29.99 31.32 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 -0.31 -5.87 -4.33 0.41 2.85 -0.07 -4.96 115.26 102.97 1bal n ASN 24 Ca 0.12 -0.46 -0.43 0.00 -0.11 0.00 0.00 54.58 53.70 1bal n ASN 24 Cb 0.40 -4.51 -0.09 0.00 1.24 0.00 0.00 39.78 36.82 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 -6.53 5.44 -0.00 1.20 1.43 0.24 -4.98 118.68 115.48 1bal s LEU 25 Ca 0.50 -1.42 -0.30 0.00 -1.03 0.00 0.00 54.13 51.87 1bal s LEU 25 Cb -0.22 -2.10 -0.07 0.00 0.03 0.00 0.00 46.19 43.84 1bal s LEU 25 CO 0.61 -0.61 1.72 1.51 0.23 0.00 0.00 176.35 179.82 1bal s ASP 26 N 2.42 6.61 0.33 2.29 -4.77 -1.26 -4.70 116.67 117.58 1bal s ASP 26 Ca 0.04 2.39 0.17 0.00 -3.30 0.00 0.00 52.55 51.85 1bal s ASP 26 Cb -0.24 -2.54 0.20 0.00 -1.09 0.00 0.00 42.92 39.25 1bal s ASP 26 CO 0.04 -0.94 1.51 0.00 0.70 0.00 0.00 175.17 176.49 1bal h ALA 27 N 9.47 0.77 0.00 2.11 0.00 -1.93 -3.22 119.26 126.46 1bal h ALA 27 Ca -0.42 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1bal h ALA 27 Cb 1.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1bal h ALA 27 CO 0.94 0.47 0.40 -1.13 0.00 0.00 0.00 179.25 179.93 1bal n SER 28 N -3.22 0.23 -0.13 0.00 3.41 -1.26 -0.52 113.62 112.14 1bal n SER 28 Ca 0.02 0.45 -0.24 0.00 -0.26 0.00 0.00 58.87 58.85 1bal n SER 28 Cb 0.66 -0.36 -0.11 0.00 -0.26 0.00 0.00 64.21 64.14 1bal n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bal n ALA 29 N -1.46 1.26 -1.46 7.33 0.00 -1.21 -4.97 120.51 120.00 1bal n ALA 29 Ca -0.01 -1.04 -0.36 0.00 0.00 0.00 0.00 53.44 52.03 1bal n ALA 29 Cb 0.41 -0.05 0.09 0.00 0.00 0.00 0.00 19.45 19.90 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 -3.79 3.55 -3.50 0.00 2.08 0.33 -4.96 119.36 113.06 1bal n ILE 30 Ca -0.48 -0.40 -0.37 0.00 0.56 0.00 0.00 62.75 62.06 1bal n ILE 30 Cb 0.93 -1.28 -0.08 0.00 -0.75 0.00 0.00 39.64 38.47 1bal n ILE 30 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 1bal s LYS 31 N -3.47 4.20 0.39 0.38 1.02 -1.26 -4.98 119.74 116.01 1bal s LYS 31 Ca 0.77 0.07 -0.01 0.00 0.02 0.00 0.00 55.97 56.82 1bal s LYS 31 Cb -0.35 -3.49 -0.03 0.00 -0.52 0.00 0.00 37.83 33.44 1bal s LYS 31 CO 0.46 0.10 0.62 0.20 -0.92 0.00 0.00 175.35 175.82 1bal s GLY 32 N 0.78 1.40 0.00 -3.33 0.00 -1.26 -4.91 107.32 100.01 1bal s GLY 32 Ca 0.16 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 44.11 1bal s GLY 32 CO 0.05 -0.68 0.00 -1.30 0.00 0.00 0.00 173.10 171.18 1bal n THR 33 N -1.91 0.00 -1.17 0.90 -2.24 -1.19 -4.70 114.28 103.97 1bal n THR 33 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1bal n THR 33 Cb 0.56 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 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 1.36 0.64 0.55 3.38 0.00 -1.19 -0.65 105.19 109.29 1bal n GLY 34 Ca 0.00 -0.84 0.39 0.00 0.00 0.00 0.00 46.02 45.57 1bal n GLY 34 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1bal h VAL 35 N 0.00 0.25 0.00 1.61 2.07 -2.01 -3.41 116.25 114.77 1bal h VAL 35 Ca 0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1bal h VAL 35 Cb 0.00 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1bal h VAL 35 CO 0.00 0.01 0.00 0.61 0.02 0.00 0.00 177.57 178.21 1bal n GLY 36 N -1.71 -1.03 0.00 2.17 0.00 0.01 -4.97 105.19 99.65 1bal n GLY 36 Ca 0.33 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 0.00 1.01 3.68 -0.02 0.00 0.18 -5.06 105.19 104.98 1bal n GLY 37 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1bal n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bal s ARG 38 N 0.00 4.33 -0.51 1.61 6.06 -1.20 -4.84 118.95 124.40 1bal s ARG 38 Ca 0.00 0.90 -0.27 0.00 -2.50 0.00 0.00 55.73 53.85 1bal s ARG 38 Cb 0.00 -3.53 0.03 0.00 0.06 0.00 0.00 34.95 31.51 1bal s ARG 38 CO 0.00 -0.17 1.08 -1.17 -2.50 0.00 0.00 175.30 172.54 1bal s LEU 39 N 1.62 3.72 0.00 -0.88 2.96 -1.26 -3.15 118.68 121.69 1bal s LEU 39 Ca 0.36 0.21 0.04 0.00 -0.22 0.00 0.00 54.13 54.53 1bal s LEU 39 Cb -0.17 -3.30 0.10 0.00 0.50 0.00 0.00 46.19 43.32 1bal s LEU 39 CO 0.14 -1.26 0.77 0.35 -1.32 0.00 0.00 176.35 175.03 1bal n THR 40 N 6.65 0.00 0.23 3.68 -2.24 -1.26 -5.02 114.28 116.32 1bal n THR 40 Ca 0.09 -1.48 0.11 0.00 -2.27 0.00 0.00 64.05 60.50 1bal n THR 40 Cb 0.49 -0.78 0.01 0.00 -2.10 0.00 0.00 70.33 67.95 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 -2.33 0.52 0.00 -0.78 0.63 -1.26 -3.75 116.66 109.69 1bal n ARG 41 Ca 0.14 0.07 0.09 0.00 -0.92 0.00 0.00 57.85 57.23 1bal n ARG 41 Cb 0.51 -1.75 0.53 0.00 0.45 0.00 0.00 32.46 32.20 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 -2.45 0.78 -0.07 -0.14 1.02 -1.26 -3.16 120.64 115.36 1bal n GLU 42 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.92 1bal n GLU 42 Cb 0.52 -1.36 -0.12 0.00 -0.02 0.00 0.00 31.44 30.45 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 -0.86 2.00 0.02 1.62 9.92 -1.25 -4.05 116.55 123.96 1bal n ASP 43 Ca 0.13 0.24 0.08 0.00 -0.53 0.00 0.00 54.79 54.71 1bal n ASP 43 Cb 0.06 -0.82 0.35 0.00 -0.64 0.00 0.00 41.12 40.07 1bal n ASP 43 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1bal n VAL 44 N -3.84 0.93 -0.27 2.53 0.31 -1.19 -3.36 118.33 113.44 1bal n VAL 44 Ca -0.37 0.23 0.08 0.00 -0.01 0.00 0.00 64.34 64.27 1bal n VAL 44 Cb 0.91 -0.99 0.21 0.00 -0.91 0.00 0.00 33.84 33.05 1bal n VAL 44 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1bal h GLU 45 N 0.00 0.15 -2.05 5.55 4.81 -1.70 0.17 114.58 121.52 1bal h GLU 45 Ca 0.00 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1bal h GLU 45 Cb 0.28 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 1bal h GLU 45 CO 0.00 0.10 -0.13 1.17 -0.73 0.00 0.00 179.01 179.42 1bal n LYS 46 N -5.29 1.27 0.00 1.92 4.81 -1.21 -3.21 118.16 116.44 1bal n LYS 46 Ca 0.17 -0.38 0.00 0.00 -0.87 0.00 0.00 58.31 57.23 1bal n LYS 46 Cb 0.55 -1.43 0.00 0.00 0.02 0.00 0.00 35.03 34.17 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 1.98 0.00 0.11 5.64 -0.00 0.59 -4.86 115.22 118.69 1bal n HIS 47 Ca 0.16 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.36 1bal n HIS 47 Cb 0.61 0.00 0.37 0.00 -0.12 0.00 0.00 29.99 30.84 1bal n HIS 47 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 1bal h LEU 48 N 0.00 0.24-10.19 0.27 3.38 -1.51 -3.43 115.31 104.07 1bal h LEU 48 Ca 0.00 -0.05 -0.49 0.00 0.09 0.00 0.00 57.88 57.43 1bal h LEU 48 Cb 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1bal h LEU 48 CO 0.00 0.42 -0.22 0.00 0.09 0.00 0.00 178.44 178.73 1bal s ALA 49 N -4.68 3.72 -0.17 1.53 0.00 -1.26 -5.00 121.76 115.89 1bal s ALA 49 Ca -0.05 -0.87 0.22 0.00 0.00 0.00 0.00 51.96 51.26 1bal s ALA 49 Cb 0.15 -2.10 -0.11 0.00 0.00 0.00 0.00 23.12 21.07 1bal s ALA 49 CO 0.74 0.09 0.87 1.63 0.00 0.00 0.00 175.76 179.09 1bal n LYS 50 N -1.50 0.62 0.00 0.00 4.01 -1.26 -5.00 118.16 115.03 1bal n LYS 50 Ca -0.05 0.02 0.00 0.00 -0.51 0.00 0.00 58.31 57.78 1bal n LYS 50 Cb 0.56 -1.73 0.00 0.00 -0.51 0.00 0.00 35.03 33.34 1bal n LYS 50 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29