#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 0.00 -3.00 -0.72 0.00 -1.26 -5.11 120.51 110.41 1bal n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1bal n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.04 0.12 0.00 7.64 -1.26 -4.96 113.62 115.20 1bal n SER 3 Ca 0.00 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.93 1bal n SER 3 Cb 0.00 0.00 0.27 0.00 -1.01 0.00 0.00 64.21 63.47 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 0.26 -4.41 -3.43 4.77 -1.26 -3.96 117.00 108.98 1bal n LEU 4 Ca 0.00 0.50 -0.44 0.00 -0.03 0.00 0.00 56.01 56.04 1bal n LEU 4 Cb 0.00 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 40.58 1bal n LEU 4 CO 0.00 -0.59 0.60 -1.61 -1.33 0.00 0.00 177.39 174.46 1bal s GLU 5 N -3.14 3.18 0.28 3.23 2.02 -1.26 -4.65 118.70 118.36 1bal s GLU 5 Ca -0.01 -1.32 0.00 0.00 0.02 0.00 0.00 54.97 53.66 1bal s GLU 5 Cb 0.03 -4.37 0.00 0.00 0.10 0.00 0.00 34.13 29.89 1bal s GLU 5 CO 0.09 -1.64 0.00 0.39 0.02 0.00 0.00 175.26 174.12 1bal n GLU 6 N 6.62 0.00 0.00 1.61 1.02 -1.25 -4.80 120.64 123.84 1bal n GLU 6 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1bal n GLU 6 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.87 1bal n GLU 6 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bal n GLN 7 N -3.29 1.23 -3.46 3.49 10.64 -1.26 -5.11 117.38 119.62 1bal n GLN 7 Ca 0.00 0.00 -0.11 0.00 -1.83 0.00 0.00 57.00 55.06 1bal n GLN 7 Cb 0.00 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.36 1bal n GLN 7 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 1bal s ASN 8 N -1.29 -0.50 0.00 2.61 0.01 -1.26 -4.98 114.94 109.53 1bal s ASN 8 Ca 0.00 0.07 0.00 0.00 -0.71 0.00 0.00 52.86 52.22 1bal s ASN 8 Cb 0.00 0.51 0.00 0.00 0.41 0.00 0.00 41.25 42.17 1bal s ASN 8 CO 0.00 -0.80 0.00 -3.20 -1.51 0.00 0.00 177.10 171.59 1bal n ASN 9 N -0.19 0.00 -2.50 -1.22 2.85 -1.26 -4.58 115.26 108.36 1bal n ASN 9 Ca -0.14 0.00 -0.23 0.00 -0.11 0.00 0.00 54.58 54.10 1bal n ASN 9 Cb 0.63 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.55 1bal n ASN 9 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1bal n ASP 10 N 3.17 6.44 0.00 1.20 9.92 -1.26 -4.44 116.55 131.59 1bal n ASP 10 Ca 0.00 -2.76 0.13 0.00 -0.53 0.00 0.00 54.79 51.63 1bal n ASP 10 Cb 0.00 -1.39 0.55 0.00 -0.64 0.00 0.00 41.12 39.64 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 2.17 2.19 -1.00 2.24 0.00 -1.26 -4.82 120.51 120.02 1bal n ALA 11 Ca 0.53 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1bal n ALA 11 Cb 0.64 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.51 0.00 -4.90 0.00 4.77 -1.26 -4.97 117.00 109.13 1bal n LEU 12 Ca 0.06 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.71 1bal n LEU 12 Cb 0.31 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.35 1bal n LEU 12 CO 0.24 -0.98 -0.05 -0.94 -1.33 0.00 0.00 177.39 174.33 1bal s SER 13 N -1.99 6.46 0.47 -1.43 1.04 -1.26 -4.99 113.70 112.00 1bal s SER 13 Ca 0.00 0.50 0.16 0.00 0.48 0.00 0.00 55.95 57.09 1bal s SER 13 Cb 0.00 -2.06 1.09 0.00 0.10 0.00 0.00 66.02 65.15 1bal s SER 13 CO 0.00 0.17 2.03 1.55 0.98 0.00 0.00 173.24 177.97 1bal h PRO 14 N 3.44 0.00 0.00 4.02 0.13 -1.94 -1.78 132.00 135.87 1bal h PRO 14 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1bal h PRO 14 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1bal h PRO 14 CO 0.70 0.15 0.00 0.00 -0.23 0.00 0.00 178.00 178.62 1bal n ALA 15 N -2.49 2.01 0.66 -0.56 0.00 -1.26 -2.95 120.51 115.92 1bal n ALA 15 Ca -0.03 -0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.38 1bal n ALA 15 Cb 0.22 -1.27 0.32 0.00 0.00 0.00 0.00 19.45 18.72 1bal n ALA 15 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1bal n ILE 16 N -1.14 0.20 -0.04 0.00 3.06 -0.67 -2.50 119.36 118.28 1bal n ILE 16 Ca 0.10 0.05 -0.04 0.00 -2.50 0.00 0.00 62.75 60.37 1bal n ILE 16 Cb 0.09 -0.87 -0.01 0.00 0.54 0.00 0.00 39.64 39.39 1bal n ILE 16 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1bal n ARG 17 N -1.08 0.22 0.00 9.51 5.12 -1.15 -4.33 116.66 124.94 1bal n ARG 17 Ca 0.08 0.12 0.00 0.00 -1.93 0.00 0.00 57.85 56.12 1bal n ARG 17 Cb 0.05 -0.92 0.00 0.00 -1.16 0.00 0.00 32.46 30.44 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 -3.30 0.00 0.20 5.56 5.12 -1.22 -1.05 116.66 121.96 1bal n ARG 18 Ca -0.05 0.31 0.05 0.00 -1.93 0.00 0.00 57.85 56.22 1bal n ARG 18 Cb 0.20 -1.54 0.40 0.00 -1.16 0.00 0.00 32.46 30.36 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 0.00 0.00 0.10 0.55 5.85 -1.68 -2.30 115.31 117.83 1bal h LEU 19 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1bal h LEU 19 Cb 0.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1bal h LEU 19 CO 0.00 0.35 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.33 1bal h LEU 20 N 0.00 -0.11 -1.78 2.25 3.38 -1.34 -3.14 115.31 114.57 1bal h LEU 20 Ca -0.00 -0.27 0.22 0.00 0.09 0.00 0.00 57.88 57.92 1bal h LEU 20 Cb 0.71 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 1bal h LEU 20 CO 0.05 0.48 0.59 0.00 0.09 0.00 0.00 178.44 179.65 1bal h ALA 21 N -0.67 2.52 -0.33 1.53 0.00 -1.69 1.99 119.26 122.61 1bal h ALA 21 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1bal h ALA 21 Cb 0.38 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1bal h ALA 21 CO 0.02 -0.78 0.14 1.49 0.00 0.00 0.00 179.25 180.12 1bal h GLU 22 N 0.18 0.49 -0.59 0.00 4.81 -1.46 -2.87 114.58 115.14 1bal h GLU 22 Ca 0.43 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1bal h GLU 22 Cb 1.39 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1bal h GLU 22 CO -0.08 0.48 0.00 0.72 -0.73 0.00 0.00 179.01 179.40 1bal n HIS 23 N -4.72 0.78 -4.29 0.92 8.25 0.10 -4.95 115.22 111.32 1bal n HIS 23 Ca -0.01 -0.45 -0.37 0.00 -0.26 0.00 0.00 57.72 56.63 1bal n HIS 23 Cb 0.13 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.19 1bal n HIS 23 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1bal n ASN 24 N 1.37 -2.43 -4.85 0.41 4.13 0.65 -4.91 115.26 109.64 1bal n ASN 24 Ca 0.21 -1.09 -0.37 0.00 1.68 0.00 0.00 54.58 55.01 1bal n ASN 24 Cb 0.57 -2.43 -0.06 0.00 -1.54 0.00 0.00 39.78 36.31 1bal n ASN 24 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1bal s LEU 25 N -7.25 4.36 -0.31 3.41 1.43 -1.01 -4.99 118.68 114.33 1bal s LEU 25 Ca 0.65 0.45 -0.21 0.00 -1.03 0.00 0.00 54.13 53.99 1bal s LEU 25 Cb -0.36 -2.10 -0.01 0.00 0.03 0.00 0.00 46.19 43.75 1bal s LEU 25 CO 0.95 0.37 0.67 -1.81 0.23 0.00 0.00 176.35 176.76 1bal s ASP 26 N -0.79 6.53 0.60 2.29 1.01 -1.26 -4.76 116.67 120.29 1bal s ASP 26 Ca 0.14 0.47 0.35 0.00 0.71 0.00 0.00 52.55 54.23 1bal s ASP 26 Cb -0.12 -2.35 1.93 0.00 1.01 0.00 0.00 42.92 43.39 1bal s ASP 26 CO 0.03 -0.52 2.23 0.00 0.21 0.00 0.00 175.17 177.13 1bal h ALA 27 N 8.18 1.21 0.00 5.23 0.00 -1.97 -0.61 119.26 131.31 1bal h ALA 27 Ca -0.26 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1bal h ALA 27 Cb 1.11 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1bal h ALA 27 CO 0.82 0.04 -0.33 0.77 0.00 0.00 0.00 179.25 180.55 1bal h SER 28 N 0.00 0.00 1.25 0.00 0.02 -2.04 -2.59 113.55 110.19 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 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1bal h SER 28 CO 0.00 0.33 0.00 0.00 -1.14 0.00 0.00 176.83 176.02 1bal n ALA 29 N -2.27 2.14 -2.53 3.77 0.00 -0.24 -4.75 120.51 116.63 1bal n ALA 29 Ca 0.00 -0.01 -0.37 0.00 0.00 0.00 0.00 53.44 53.06 1bal n ALA 29 Cb 0.49 -1.45 -0.06 0.00 0.00 0.00 0.00 19.45 18.44 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 -3.13 5.06 -0.02 0.00 -1.09 -0.98 -5.06 121.20 115.97 1bal s ILE 30 Ca 0.10 0.71 -0.21 0.00 -2.23 0.00 0.00 60.65 59.02 1bal s ILE 30 Cb 0.12 -3.68 -0.05 0.00 -1.58 0.00 0.00 42.46 37.27 1bal s ILE 30 CO 0.54 0.48 0.60 -0.54 -1.23 0.00 0.00 174.94 174.79 1bal s LYS 31 N -1.35 4.33 0.76 2.79 1.02 -1.26 -5.00 119.74 121.02 1bal s LYS 31 Ca 0.27 0.72 -0.05 0.00 0.02 0.00 0.00 55.97 56.93 1bal s LYS 31 Cb -0.16 -3.37 0.12 0.00 -0.52 0.00 0.00 37.83 33.91 1bal s LYS 31 CO 0.15 0.30 1.05 0.20 -0.92 0.00 0.00 175.35 176.13 1bal s GLY 32 N 0.03 1.75 0.00 -3.33 0.00 -1.26 -4.87 107.32 99.65 1bal s GLY 32 Ca 0.31 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.66 1bal s GLY 32 CO 0.17 -0.83 0.59 -1.30 0.00 0.00 0.00 173.10 171.73 1bal n THR 33 N -3.02 0.00 -0.64 0.90 -2.24 -1.24 -4.95 114.28 103.10 1bal n THR 33 Ca 0.13 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.60 1bal n THR 33 Cb 0.60 0.39 0.19 0.00 -2.10 0.00 0.00 70.33 69.41 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 0.00 -2.00 0.35 3.38 0.00 -1.18 -4.84 105.19 100.90 1bal n GLY 34 Ca 0.00 -0.89 0.08 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.14 0.99 0.02 1.61 2.07 -2.00 -3.13 116.25 113.66 1bal h VAL 35 Ca -0.53 -0.21 -0.39 0.00 0.82 0.00 0.00 66.70 66.39 1bal h VAL 35 Cb 1.33 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 1bal h VAL 35 CO 0.41 0.11 -2.23 0.61 0.02 0.00 0.00 177.57 176.49 1bal n GLY 36 N -1.48 -0.51 0.00 2.17 0.00 -1.26 -5.00 105.19 99.11 1bal n GLY 36 Ca 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 1.66 0.00 3.98 -0.02 0.00 -1.18 -5.10 105.19 104.52 1bal n GLY 37 Ca -0.45 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 3.18 0.25 1.61 1.70 -1.26 -4.82 118.95 119.61 1bal s ARG 38 Ca 0.00 -0.85 -0.10 0.00 -0.47 0.00 0.00 55.73 54.31 1bal s ARG 38 Cb 0.00 -2.78 -0.07 0.00 -0.57 0.00 0.00 34.95 31.52 1bal s ARG 38 CO 0.00 0.08 0.58 -1.17 -1.08 0.00 0.00 175.30 173.71 1bal s LEU 39 N -4.21 4.14 0.00 -1.89 2.96 -1.26 -3.11 118.68 115.32 1bal s LEU 39 Ca 0.43 0.97 0.00 0.00 -0.22 0.00 0.00 54.13 55.31 1bal s LEU 39 Cb -0.09 -3.75 0.00 0.00 0.50 0.00 0.00 46.19 42.85 1bal s LEU 39 CO 0.32 -0.10 0.00 0.35 -1.32 0.00 0.00 176.35 175.60 1bal n THR 40 N -0.22 0.00 0.02 3.68 -2.24 -1.26 -5.01 114.28 109.25 1bal n THR 40 Ca 0.01 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.85 1bal n THR 40 Cb 0.53 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.65 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 0.64 0.00 -0.78 0.63 -1.26 -3.67 116.66 112.22 1bal n ARG 41 Ca 0.00 -0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1bal n ARG 41 Cb 0.00 -1.66 0.00 0.00 0.45 0.00 0.00 32.46 31.25 1bal n ARG 41 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1bal n GLU 42 N -2.56 0.69 0.00 -0.14 2.13 -1.26 -2.68 120.64 116.81 1bal n GLU 42 Ca -0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.74 1bal n GLU 42 Cb 0.70 -1.11 0.00 0.00 0.27 0.00 0.00 31.44 31.30 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 -0.28 0.86 0.28 4.31 8.00 -1.26 -4.74 116.55 123.73 1bal n ASP 43 Ca 0.00 0.00 0.17 0.00 0.71 0.00 0.00 54.79 55.67 1bal n ASP 43 Cb 0.06 0.00 0.81 0.00 -0.02 0.00 0.00 41.12 41.96 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 0.00 0.19 0.22 2.53 2.07 -1.62 -3.02 116.25 116.61 1bal h VAL 44 Ca 0.00 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1bal h VAL 44 Cb 0.49 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1bal h VAL 44 CO 0.00 0.05 -0.10 -0.08 0.02 0.00 0.00 177.57 177.46 1bal h GLU 45 N 0.00 -0.28 -0.90 1.57 4.81 -1.80 -2.80 114.58 115.18 1bal h GLU 45 Ca -0.00 0.02 0.26 0.00 -0.13 0.00 0.00 59.36 59.51 1bal h GLU 45 Cb 0.37 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 1bal h GLU 45 CO 0.01 0.08 0.91 0.87 -0.73 0.00 0.00 179.01 180.14 1bal h LYS 46 N -0.70 0.00 -0.06 1.92 6.56 -1.81 0.40 116.57 122.88 1bal h LYS 46 Ca -0.03 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.55 1bal h LYS 46 Cb 0.48 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.14 1bal h LYS 46 CO 0.05 0.00 -0.01 1.25 -2.06 0.00 0.00 179.45 178.68 1bal h HIS 47 N 0.00 0.12 -3.75 -1.35 2.76 -1.58 -3.41 115.15 107.96 1bal h HIS 47 Ca 0.43 -0.03 -0.64 0.00 -2.20 0.00 0.00 60.37 57.94 1bal h HIS 47 Cb 2.25 -0.03 -0.16 0.00 1.55 0.00 0.00 27.41 31.02 1bal h HIS 47 CO 0.00 0.43 -0.30 -0.51 -1.30 0.00 0.00 177.93 176.25 1bal s LEU 48 N -9.46 4.12 0.00 0.26 1.43 0.14 -5.07 118.68 110.10 1bal s LEU 48 Ca -0.15 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 1bal s LEU 48 Cb 0.04 -2.35 0.00 0.00 0.03 0.00 0.00 46.19 43.91 1bal s LEU 48 CO 0.69 -0.19 0.00 0.00 0.23 0.00 0.00 176.35 177.08 1bal n ALA 49 N 5.29 0.00 -1.51 4.21 0.00 -1.26 -4.61 120.51 122.63 1bal n ALA 49 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.94 1bal n ALA 49 Cb 0.51 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.53 0.53 0.00 0.00 5.02 -1.26 -5.07 118.16 116.85 1bal n LYS 50 Ca 0.00 0.03 0.16 0.00 -2.02 0.00 0.00 58.31 56.47 1bal n LYS 50 Cb 0.00 -2.38 0.93 0.00 -0.02 0.00 0.00 35.03 33.56 1bal n LYS 50 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88