#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 -1.39 0.00 -0.72 0.00 -1.26 -4.96 120.51 112.19 1bal n ALA 2 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 53.44 52.15 1bal n ALA 2 Cb 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 17.96 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 1.00 0.00 -0.10 0.00 7.64 -1.26 0.09 113.62 120.99 1bal n SER 3 Ca 0.06 0.14 -0.23 0.00 1.01 0.00 0.00 58.87 59.85 1bal n SER 3 Cb 0.67 -0.14 -0.11 0.00 -1.01 0.00 0.00 64.21 63.62 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 -1.14 1.99 -0.71 -3.43 7.99 -1.26 -4.33 117.00 116.11 1bal n LEU 4 Ca 0.00 0.37 0.13 0.00 -0.01 0.00 0.00 56.01 56.49 1bal n LEU 4 Cb 0.00 -0.95 0.25 0.00 -0.11 0.00 0.00 43.42 42.61 1bal n LEU 4 CO 0.00 0.42 0.68 -0.62 -1.51 0.00 0.00 177.39 176.36 1bal n GLU 5 N -4.26 1.91 0.00 3.23 1.02 -0.77 -4.01 120.64 117.75 1bal n GLU 5 Ca -0.37 -1.43 0.14 0.00 -0.02 0.00 0.00 57.16 55.48 1bal n GLU 5 Cb 0.77 -1.47 0.81 0.00 -0.02 0.00 0.00 31.44 31.53 1bal n GLU 5 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1bal n GLU 6 N 0.70 0.81 -1.65 3.49 2.13 0.11 -4.59 120.64 121.64 1bal n GLU 6 Ca 0.15 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.71 1bal n GLU 6 Cb 0.49 -1.50 -0.09 0.00 0.27 0.00 0.00 31.44 30.61 1bal n GLU 6 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1bal n GLN 7 N -1.04 0.93 -3.33 5.31 6.02 -1.26 -4.69 117.38 119.33 1bal n GLN 7 Ca 0.20 -2.00 0.00 0.00 -0.01 0.00 0.00 57.00 55.19 1bal n GLN 7 Cb 0.11 -3.60 0.00 0.00 1.02 0.00 0.00 30.24 27.77 1bal n GLN 7 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1bal n ASN 8 N 15.04 0.00 0.00 1.08 5.03 -1.26 -5.16 115.26 129.99 1bal n ASN 8 Ca 0.44 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.89 1bal n ASN 8 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.22 1bal n ASN 8 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1bal n ASN 9 N 0.98 -0.66 -4.66 6.41 4.05 -1.26 -4.67 115.26 115.44 1bal n ASN 9 Ca 0.00 0.00 -0.42 0.00 0.45 0.00 0.00 54.58 54.61 1bal n ASN 9 Cb 0.00 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 40.98 1bal n ASN 9 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 177.26 175.72 1bal s ASP 10 N -4.00 6.71 0.08 1.20 -4.77 -1.26 -4.89 116.67 109.75 1bal s ASP 10 Ca 0.00 2.18 -0.13 0.00 -3.30 0.00 0.00 52.55 51.30 1bal s ASP 10 Cb 0.00 -2.54 -0.22 0.00 -1.09 0.00 0.00 42.92 39.07 1bal s ASP 10 CO 0.00 -0.88 1.21 0.00 0.70 0.00 0.00 175.17 176.19 1bal h ALA 11 N 9.12 0.16 -3.00 2.11 0.00 -2.00 -3.45 119.26 122.19 1bal h ALA 11 Ca -0.38 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 53.84 1bal h ALA 11 Cb 1.17 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1bal h ALA 11 CO 0.95 0.70 0.00 1.28 0.00 0.00 0.00 179.25 182.18 1bal n LEU 12 N -3.85 0.00 -4.99 0.00 4.77 -1.26 -5.08 117.00 106.60 1bal n LEU 12 Ca -0.11 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.68 1bal n LEU 12 Cb 0.88 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.96 1bal n LEU 12 CO 0.56 -0.47 0.08 -0.94 -1.33 0.00 0.00 177.39 175.29 1bal s SER 13 N -1.05 5.94 0.60 -1.43 1.04 -1.26 -4.96 113.70 112.58 1bal s SER 13 Ca 0.00 -0.15 0.29 0.00 0.48 0.00 0.00 55.95 56.56 1bal s SER 13 Cb 0.00 -1.23 1.47 0.00 0.10 0.00 0.00 66.02 66.35 1bal s SER 13 CO 0.00 -0.47 1.88 -0.65 0.98 0.00 0.00 173.24 174.98 1bal h PRO 14 N 0.83 0.00 0.00 4.02 0.11 -1.97 0.53 132.00 135.51 1bal h PRO 14 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1bal h PRO 14 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1bal h PRO 14 CO 0.53 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.32 1bal n ALA 15 N -2.31 1.61 0.05 -0.75 0.00 -1.26 -2.92 120.51 114.93 1bal n ALA 15 Ca 0.08 -0.03 0.20 0.00 0.00 0.00 0.00 53.44 53.69 1bal n ALA 15 Cb 0.67 -1.08 0.57 0.00 0.00 0.00 0.00 19.45 19.61 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 0.14 -0.43 0.00 2.10 -0.31 0.95 117.51 119.96 1bal h ILE 16 Ca 0.00 0.00 -0.14 0.00 1.08 0.00 0.00 64.86 65.80 1bal h ILE 16 Cb 0.02 0.36 -0.01 0.00 -1.09 0.00 0.00 36.82 36.09 1bal h ILE 16 CO 0.00 0.00 -0.27 0.03 -1.08 0.00 0.00 178.15 176.83 1bal h ARG 17 N 0.00 0.92 0.00 2.19 3.08 -1.80 -2.67 114.38 116.11 1bal h ARG 17 Ca 0.24 -0.42 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 1bal h ARG 17 Cb 1.75 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.78 1bal h ARG 17 CO -0.00 1.08 -0.03 0.00 -1.07 0.00 0.00 179.97 179.95 1bal h ARG 18 N 0.78 0.00 -1.04 0.04 2.47 0.63 -3.18 114.38 114.09 1bal h ARG 18 Ca 0.09 0.00 0.27 0.00 -1.26 0.00 0.00 59.98 59.08 1bal h ARG 18 Cb 0.84 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 29.07 1bal h ARG 18 CO 0.07 0.03 0.68 1.25 0.56 0.00 0.00 179.97 182.56 1bal h LEU 19 N 0.00 0.39 -1.34 3.04 5.85 -1.06 1.04 115.31 123.23 1bal h LEU 19 Ca -0.00 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 1bal h LEU 19 Cb 0.80 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1bal h LEU 19 CO 0.00 0.08 -0.33 -0.07 -0.34 0.00 0.00 178.44 177.79 1bal h LEU 20 N 0.35 0.00 0.00 2.25 3.38 -1.69 -2.54 115.31 117.05 1bal h LEU 20 Ca 0.58 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.51 1bal h LEU 20 Cb 1.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 1bal h LEU 20 CO -0.26 0.33 -1.10 0.00 0.09 0.00 0.00 178.44 177.50 1bal h ALA 21 N 1.67 0.55 -0.32 1.53 0.00 0.73 -1.59 119.26 121.84 1bal h ALA 21 Ca -0.00 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1bal h ALA 21 Cb 0.60 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1bal h ALA 21 CO 0.04 0.25 -0.10 1.49 0.00 0.00 0.00 179.25 180.93 1bal h GLU 22 N 0.00 0.63 -0.59 0.00 4.57 -0.10 -2.95 114.58 116.14 1bal h GLU 22 Ca -0.04 -0.25 -0.02 0.00 -1.18 0.00 0.00 59.36 57.86 1bal h GLU 22 Cb 1.16 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 1bal h GLU 22 CO 0.01 0.82 0.03 0.72 -1.18 0.00 0.00 179.01 179.42 1bal n HIS 23 N -4.43 2.12 -4.40 0.92 8.25 -1.09 -4.92 115.22 111.68 1bal n HIS 23 Ca -0.03 -0.79 -0.40 0.00 -0.26 0.00 0.00 57.72 56.24 1bal n HIS 23 Cb 0.35 -0.53 -0.08 0.00 1.12 0.00 0.00 29.99 30.85 1bal n HIS 23 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1bal n ASN 24 N 0.52 -1.75 -4.60 0.41 0.23 -1.11 -4.86 115.26 104.09 1bal n ASN 24 Ca 0.29 -1.16 -0.38 0.00 -0.53 0.00 0.00 54.58 52.80 1bal n ASN 24 Cb 1.22 -1.53 -0.10 0.00 -2.08 0.00 0.00 39.78 37.29 1bal n ASN 24 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1bal s LEU 25 N -7.00 4.03 -0.45 -4.53 1.43 -0.60 -5.02 118.68 106.54 1bal s LEU 25 Ca 0.79 0.12 -0.29 0.00 -1.03 0.00 0.00 54.13 53.72 1bal s LEU 25 Cb -0.46 -2.24 0.03 0.00 0.03 0.00 0.00 46.19 43.55 1bal s LEU 25 CO 0.97 -0.10 1.12 -1.81 0.23 0.00 0.00 176.35 176.76 1bal s ASP 26 N 1.67 6.68 0.63 2.29 1.01 -1.26 -4.72 116.67 122.97 1bal s ASP 26 Ca 0.10 0.56 0.32 0.00 0.71 0.00 0.00 52.55 54.24 1bal s ASP 26 Cb -0.16 -2.55 1.77 0.00 1.01 0.00 0.00 42.92 43.00 1bal s ASP 26 CO 0.10 -1.18 2.07 0.00 0.21 0.00 0.00 175.17 176.37 1bal h ALA 27 N 9.02 1.55 0.00 5.23 0.00 -1.93 -0.30 119.26 132.83 1bal h ALA 27 Ca -0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1bal h ALA 27 Cb 1.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1bal h ALA 27 CO 1.11 -0.30 0.36 1.03 0.00 0.00 0.00 179.25 181.45 1bal h SER 28 N 0.00 0.00 0.36 0.00 0.87 -2.00 0.71 113.55 113.50 1bal h SER 28 Ca 0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1bal h SER 28 Cb 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 1bal h SER 28 CO -0.00 0.00 -1.62 0.00 -0.53 0.00 0.00 176.83 174.68 1bal n ALA 29 N -1.82 2.73 -1.98 6.23 0.00 -0.12 -4.95 120.51 120.61 1bal n ALA 29 Ca -0.02 -0.42 -0.21 0.00 0.00 0.00 0.00 53.44 52.80 1bal n ALA 29 Cb 0.41 -0.88 0.04 0.00 0.00 0.00 0.00 19.45 19.02 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 -3.45 2.61 0.25 0.00 -1.09 0.25 -5.09 121.20 114.67 1bal s ILE 30 Ca -0.05 -0.67 -0.03 0.00 -2.23 0.00 0.00 60.65 57.67 1bal s ILE 30 Cb 0.12 -2.94 -0.05 0.00 -1.58 0.00 0.00 42.46 38.01 1bal s ILE 30 CO 0.87 0.00 0.48 -0.54 -1.23 0.00 0.00 174.94 174.52 1bal s LYS 31 N -4.79 3.60 -0.39 2.79 1.02 -1.26 -4.97 119.74 115.73 1bal s LYS 31 Ca 0.58 -0.12 0.10 0.00 0.02 0.00 0.00 55.97 56.56 1bal s LYS 31 Cb -0.10 -2.73 0.38 0.00 -0.52 0.00 0.00 37.83 34.87 1bal s LYS 31 CO 0.39 0.30 1.15 0.41 -0.92 0.00 0.00 175.35 176.68 1bal n GLY 32 N -0.75 1.43 0.00 -3.33 0.00 -1.26 -4.79 105.19 96.49 1bal n GLY 32 Ca -0.03 -0.49 0.02 0.00 0.00 0.00 0.00 46.02 45.52 1bal n GLY 32 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bal n THR 33 N -0.17 0.11 -0.77 2.61 -2.24 -1.26 -3.51 114.28 109.05 1bal n THR 33 Ca 0.05 0.03 -0.30 0.00 -2.27 0.00 0.00 64.05 61.55 1bal n THR 33 Cb 0.79 -0.98 0.11 0.00 -2.10 0.00 0.00 70.33 68.15 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 -0.81 -2.57 3.70 3.38 0.00 -1.14 -4.60 105.19 103.13 1bal n GLY 34 Ca 0.02 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 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 -4.00 1.41 -3.68 1.61 0.31 -1.26 -1.30 118.33 111.41 1bal n VAL 35 Ca 0.00 -0.35 -0.28 0.00 -0.01 0.00 0.00 64.34 63.70 1bal n VAL 35 Cb 0.58 -1.61 0.01 0.00 -0.91 0.00 0.00 33.84 31.91 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 1.56 -0.49 2.94 2.92 0.00 -1.26 0.06 105.19 110.92 1bal n GLY 36 Ca 0.08 0.14 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.44 -0.52 3.74 -0.02 0.00 -0.42 -4.94 105.19 101.59 1bal n GLY 37 Ca 0.02 0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -5.62 4.73 -0.09 1.61 3.52 0.11 -4.79 118.95 118.42 1bal s ARG 38 Ca 0.26 1.49 -0.23 0.00 -0.13 0.00 0.00 55.73 57.11 1bal s ARG 38 Cb -0.12 -3.34 -0.03 0.00 -1.56 0.00 0.00 34.95 29.90 1bal s ARG 38 CO 0.32 0.28 0.71 -1.17 -0.81 0.00 0.00 175.30 174.63 1bal s LEU 39 N -0.35 4.29 0.00 -0.88 2.96 -1.26 -2.90 118.68 120.54 1bal s LEU 39 Ca 0.46 1.16 0.00 0.00 -0.22 0.00 0.00 54.13 55.53 1bal s LEU 39 Cb -0.25 -3.08 0.00 0.00 0.50 0.00 0.00 46.19 43.36 1bal s LEU 39 CO 0.31 -0.15 0.00 0.35 -1.32 0.00 0.00 176.35 175.54 1bal n THR 40 N 3.93 0.00 0.02 3.68 -2.24 -1.26 -5.06 114.28 113.35 1bal n THR 40 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1bal n THR 40 Cb 0.51 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 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 0.00 0.12 -0.78 0.63 -1.26 -4.68 116.66 110.69 1bal n ARG 41 Ca 0.00 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 56.97 1bal n ARG 41 Cb 0.00 -0.37 0.23 0.00 0.45 0.00 0.00 32.46 32.76 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 -3.05 0.06 0.08 -0.14 2.13 -1.26 0.71 120.64 119.17 1bal n GLU 42 Ca 0.00 0.48 -0.15 0.00 0.66 0.00 0.00 57.16 58.15 1bal n GLU 42 Cb 0.27 -2.01 -0.14 0.00 0.27 0.00 0.00 31.44 29.83 1bal n GLU 42 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1bal h ASP 43 N 0.00 0.34 0.63 4.31 3.32 -1.87 -3.32 116.42 119.82 1bal h ASP 43 Ca 0.00 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1bal h ASP 43 Cb 0.65 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1bal h ASP 43 CO 0.00 1.32 -1.14 0.52 -1.72 0.00 0.00 179.24 178.22 1bal n VAL 44 N -3.46 0.34 -0.03 -1.35 0.31 0.22 -4.22 118.33 110.14 1bal n VAL 44 Ca -0.10 -0.41 -0.11 0.00 -0.01 0.00 0.00 64.34 63.71 1bal n VAL 44 Cb 1.02 -0.08 -0.05 0.00 -0.91 0.00 0.00 33.84 33.83 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 0.22 -1.43 5.55 4.81 -1.18 -2.09 114.58 120.46 1bal h GLU 45 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1bal h GLU 45 Cb 0.88 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.22 1bal h GLU 45 CO 0.00 0.22 0.00 1.63 -0.73 0.00 0.00 179.01 180.13 1bal n LYS 46 N -4.93 0.75 0.00 1.92 4.76 -1.25 -2.43 118.16 116.97 1bal n LYS 46 Ca -0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 1bal n LYS 46 Cb 0.07 -1.13 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 1bal n LYS 46 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 1bal n HIS 47 N 0.86 0.00 -2.77 2.13 -0.00 -0.79 -5.11 115.22 109.54 1bal n HIS 47 Ca 0.00 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.08 1bal n HIS 47 Cb 0.37 0.04 0.04 0.00 -0.12 0.00 0.00 29.99 30.32 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 0.00 0.00 -4.39 0.27 4.77 -1.02 -5.02 117.00 111.61 1bal n LEU 48 Ca 0.00 -1.15 -0.41 0.00 -0.03 0.00 0.00 56.01 54.42 1bal n LEU 48 Cb 0.42 -0.25 0.01 0.00 -2.33 0.00 0.00 43.42 41.27 1bal n LEU 48 CO 0.00 -0.66 -0.14 0.00 -1.33 0.00 0.00 177.39 175.26 1bal n ALA 49 N -2.79 -2.01 -2.50 -1.18 0.00 -1.26 -4.79 120.51 105.97 1bal n ALA 49 Ca -0.07 0.10 -0.41 0.00 0.00 0.00 0.00 53.44 53.06 1bal n ALA 49 Cb 0.29 -1.66 -0.03 0.00 0.00 0.00 0.00 19.45 18.05 1bal n ALA 49 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1bal s LYS 50 N -1.44 3.17 0.00 0.00 1.02 -1.26 -5.10 119.74 116.13 1bal s LYS 50 Ca 0.62 -0.24 0.00 0.00 0.02 0.00 0.00 55.97 56.38 1bal s LYS 50 Cb -0.58 -4.29 0.00 0.00 -0.52 0.00 0.00 37.83 32.44 1bal s LYS 50 CO 0.60 -2.21 0.00 0.00 -0.92 0.00 0.00 175.35 172.81