#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 2.27 -2.78 -0.72 0.00 -1.26 -4.76 120.51 113.26 1bal n ALA 2 Ca 0.00 -0.05 -0.19 0.00 0.00 0.00 0.00 53.44 53.20 1bal n ALA 2 Cb 0.00 -1.13 0.08 0.00 0.00 0.00 0.00 19.45 18.39 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 -0.68 1.37 0.04 0.00 7.64 -1.26 -4.99 113.62 115.74 1bal n SER 3 Ca 0.06 -2.06 0.13 0.00 1.01 0.00 0.00 58.87 58.01 1bal n SER 3 Cb 0.03 -0.43 0.41 0.00 -1.01 0.00 0.00 64.21 63.21 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 0.46 -1.61 -3.43 4.77 -1.26 -3.96 117.00 111.97 1bal n LEU 4 Ca 0.13 0.40 -0.00 0.00 -0.03 0.00 0.00 56.01 56.51 1bal n LEU 4 Cb 0.47 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 1bal n LEU 4 CO 0.31 -0.05 0.84 1.21 -1.33 0.00 0.00 177.39 178.37 1bal n GLU 5 N -1.86 0.85 -3.07 3.23 2.13 -1.26 -4.76 120.64 115.90 1bal n GLU 5 Ca 0.06 -0.04 -0.44 0.00 0.66 0.00 0.00 57.16 57.40 1bal n GLU 5 Cb 0.39 -1.13 -0.05 0.00 0.27 0.00 0.00 31.44 30.92 1bal n GLU 5 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1bal s GLU 6 N 0.42 3.07 -0.20 5.31 2.12 -1.25 -4.99 118.70 123.18 1bal s GLU 6 Ca 0.02 -1.15 -0.27 0.00 0.36 0.00 0.00 54.97 53.93 1bal s GLU 6 Cb 0.01 -4.23 0.07 0.00 0.26 0.00 0.00 34.13 30.24 1bal s GLU 6 CO 0.00 -1.53 0.71 -1.14 -0.54 0.00 0.00 175.26 172.77 1bal s GLN 7 N 2.91 0.90 0.15 4.30 0.74 -1.26 -5.07 119.66 122.34 1bal s GLN 7 Ca 0.14 0.75 0.00 0.00 0.05 0.00 0.00 55.36 56.30 1bal s GLN 7 Cb -0.22 0.43 0.00 0.00 1.10 0.00 0.00 33.01 34.33 1bal s GLN 7 CO 0.08 -0.17 0.00 0.09 -0.55 0.00 0.00 175.29 174.74 1bal n ASN 8 N 2.10 -0.51 -4.60 6.67 5.03 -1.26 -5.11 115.26 117.57 1bal n ASN 8 Ca -0.16 0.27 -0.32 0.00 0.87 0.00 0.00 54.58 55.25 1bal n ASN 8 Cb 0.56 0.62 0.15 0.00 -1.02 0.00 0.00 39.78 40.10 1bal n ASN 8 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 1bal n ASN 9 N -2.94 -0.28 0.00 6.41 6.94 -1.26 -4.95 115.26 119.19 1bal n ASN 9 Ca 0.00 0.40 0.00 0.00 -0.02 0.00 0.00 54.58 54.96 1bal n ASN 9 Cb 0.00 -1.41 0.00 0.00 -2.36 0.00 0.00 39.78 36.01 1bal n ASN 9 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1bal n ASP 10 N -3.44 0.05 -0.97 0.53 5.68 -1.26 -4.78 116.55 112.38 1bal n ASP 10 Ca 0.11 -1.01 0.09 0.00 -0.50 0.00 0.00 54.79 53.48 1bal n ASP 10 Cb 0.52 0.00 0.24 0.00 -1.14 0.00 0.00 41.12 40.74 1bal n ASP 10 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1bal n ALA 11 N -0.00 2.42 -3.19 2.12 0.00 -1.26 -4.93 120.51 115.67 1bal n ALA 11 Ca 0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 53.44 52.51 1bal n ALA 11 Cb 0.28 -0.96 -0.01 0.00 0.00 0.00 0.00 19.45 18.76 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 1.04 0.00 -4.04 0.00 4.77 -1.26 -5.18 117.00 112.33 1bal n LEU 12 Ca 0.18 -0.21 -0.09 0.00 -0.03 0.00 0.00 56.01 55.85 1bal n LEU 12 Cb 0.45 0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.56 1bal n LEU 12 CO 0.12 -0.03 -0.20 -0.55 -1.33 0.00 0.00 177.39 175.40 1bal s SER 13 N -1.16 0.23 0.63 -1.43 0.15 -1.26 -5.02 113.70 105.84 1bal s SER 13 Ca 0.02 -0.99 0.34 0.00 0.70 0.00 0.00 55.95 56.02 1bal s SER 13 Cb 0.00 0.33 1.89 0.00 -1.71 0.00 0.00 66.02 66.53 1bal s SER 13 CO 0.02 -0.76 2.16 1.55 1.20 0.00 0.00 173.24 177.41 1bal h PRO 14 N 2.80 0.00 0.00 5.44 0.13 -2.03 0.25 132.00 138.59 1bal h PRO 14 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1bal h PRO 14 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1bal h PRO 14 CO 0.57 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.34 1bal n ALA 15 N -2.18 2.18 -0.37 -0.56 0.00 -1.26 -3.53 120.51 114.80 1bal n ALA 15 Ca -0.01 -0.11 0.38 0.00 0.00 0.00 0.00 53.44 53.70 1bal n ALA 15 Cb 0.24 -1.36 0.74 0.00 0.00 0.00 0.00 19.45 19.07 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 0.28 0.00 0.00 2.10 -0.91 1.73 117.51 120.71 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 0.17 0.30 -0.00 0.00 -1.09 0.00 0.00 36.82 36.19 1bal h ILE 16 CO 0.00 0.00 -0.12 0.03 -1.08 0.00 0.00 178.15 176.98 1bal h ARG 17 N 0.00 0.00 0.00 2.19 3.08 -1.81 -3.28 114.38 114.56 1bal h ARG 17 Ca 0.62 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.67 1bal h ARG 17 Cb 2.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.63 1bal h ARG 17 CO -0.01 0.40 0.00 0.54 -1.07 0.00 0.00 179.97 179.84 1bal n ARG 18 N -4.69 0.26 0.03 0.04 1.74 -0.09 -2.90 116.66 111.05 1bal n ARG 18 Ca -0.06 0.12 0.20 0.00 -0.77 0.00 0.00 57.85 57.34 1bal n ARG 18 Cb 0.23 -1.50 0.70 0.00 -1.02 0.00 0.00 32.46 30.87 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 0.00 0.00 -0.02 0.55 5.85 0.25 0.83 115.31 122.76 1bal h LEU 19 Ca 0.00 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.57 1bal h LEU 19 Cb 0.12 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.16 1bal h LEU 19 CO 0.00 0.00 -0.56 -0.07 -0.34 0.00 0.00 178.44 177.47 1bal h LEU 20 N 0.00 0.53 -0.12 2.25 3.38 -1.75 -3.04 115.31 116.56 1bal h LEU 20 Ca 0.23 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1bal h LEU 20 Cb 0.95 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1bal h LEU 20 CO -0.00 1.20 -0.05 0.00 0.09 0.00 0.00 178.44 179.67 1bal n ALA 21 N -2.58 2.64 0.03 1.53 0.00 -0.32 -0.71 120.51 121.12 1bal n ALA 21 Ca -0.10 -0.21 -0.21 0.00 0.00 0.00 0.00 53.44 52.92 1bal n ALA 21 Cb 0.65 -1.41 -0.14 0.00 0.00 0.00 0.00 19.45 18.54 1bal n ALA 21 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1bal h GLU 22 N 0.29 0.29 -0.62 0.00 4.57 0.66 -3.33 114.58 116.44 1bal h GLU 22 Ca 0.00 -0.49 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1bal h GLU 22 Cb 0.30 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1bal h GLU 22 CO 0.00 1.24 0.00 0.72 -1.18 0.00 0.00 179.01 179.79 1bal n HIS 23 N -3.98 0.82 -3.18 0.92 8.25 -1.15 -4.97 115.22 111.93 1bal n HIS 23 Ca -0.20 -0.41 -0.10 0.00 -0.26 0.00 0.00 57.72 56.75 1bal n HIS 23 Cb 0.89 0.00 0.04 0.00 1.12 0.00 0.00 29.99 32.04 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 1.55 -7.08 -3.61 0.41 3.02 -1.01 -5.01 115.26 103.53 1bal n ASN 24 Ca 0.23 -0.48 -0.28 0.00 -0.03 0.00 0.00 54.58 54.02 1bal n ASN 24 Cb 0.60 -5.25 -0.16 0.00 -0.61 0.00 0.00 39.78 34.37 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 -4.88 0.81 0.01 3.41 1.43 0.12 -5.03 118.68 114.54 1bal s LEU 25 Ca 0.29 -1.13 -0.30 0.00 -1.03 0.00 0.00 54.13 51.96 1bal s LEU 25 Cb -0.04 -0.43 -0.06 0.00 0.03 0.00 0.00 46.19 45.70 1bal s LEU 25 CO 0.74 -0.40 1.42 -1.81 0.23 0.00 0.00 176.35 176.53 1bal s ASP 26 N 2.01 6.83 0.51 2.29 1.01 -1.26 -4.65 116.67 123.41 1bal s ASP 26 Ca 0.06 2.14 0.30 0.00 0.71 0.00 0.00 52.55 55.76 1bal s ASP 26 Cb -0.16 -2.56 1.15 0.00 1.01 0.00 0.00 42.92 42.36 1bal s ASP 26 CO -0.25 -0.73 1.91 0.00 0.21 0.00 0.00 175.17 176.30 1bal h ALA 27 N 7.86 1.01 -0.45 5.23 0.00 -1.93 -2.93 119.26 128.04 1bal h ALA 27 Ca -0.38 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 54.59 1bal h ALA 27 Cb 1.18 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1bal h ALA 27 CO 0.90 0.09 0.54 1.03 0.00 0.00 0.00 179.25 181.81 1bal h SER 28 N 0.00 0.00 0.12 0.00 0.87 -2.03 0.21 113.55 112.72 1bal h SER 28 Ca -0.00 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.20 1bal h SER 28 Cb 0.62 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.53 1bal h SER 28 CO 0.01 0.00 -2.20 0.00 -0.53 0.00 0.00 176.83 174.11 1bal n ALA 29 N -2.28 1.33 -1.45 6.23 0.00 -1.11 -4.95 120.51 118.28 1bal n ALA 29 Ca 0.08 -0.97 -0.30 0.00 0.00 0.00 0.00 53.44 52.25 1bal n ALA 29 Cb 0.72 -0.40 0.09 0.00 0.00 0.00 0.00 19.45 19.86 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 -2.54 3.16 -0.29 0.00 -1.09 0.06 -5.01 121.20 115.50 1bal s ILE 30 Ca -0.20 0.38 -0.12 0.00 -2.23 0.00 0.00 60.65 58.47 1bal s ILE 30 Cb 0.07 -3.04 -0.04 0.00 -1.58 0.00 0.00 42.46 37.87 1bal s ILE 30 CO 0.74 -0.49 0.25 -0.54 -1.23 0.00 0.00 174.94 173.67 1bal s LYS 31 N -5.06 3.90 -1.18 2.79 3.01 -1.26 -4.92 119.74 117.01 1bal s LYS 31 Ca 0.61 -0.27 -0.06 0.00 -1.01 0.00 0.00 55.97 55.24 1bal s LYS 31 Cb -0.15 -3.68 0.23 0.00 -1.01 0.00 0.00 37.83 33.22 1bal s LYS 31 CO 0.55 -0.25 1.80 0.41 0.51 0.00 0.00 175.35 178.38 1bal n GLY 32 N 4.97 5.16 0.00 -3.33 0.00 -1.26 -4.80 105.19 105.92 1bal n GLY 32 Ca -0.12 -2.36 0.00 0.00 0.00 0.00 0.00 46.02 43.54 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 1.95 0.00 -1.48 2.61 -2.24 -1.26 -4.38 114.28 109.48 1bal n THR 33 Ca 0.39 0.74 0.19 0.00 -2.27 0.00 0.00 64.05 63.09 1bal n THR 33 Cb 0.32 -1.54 -0.08 0.00 -2.10 0.00 0.00 70.33 66.94 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 -0.33 -2.84 3.44 3.38 0.00 -1.24 -2.65 105.19 104.95 1bal n GLY 34 Ca 0.00 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 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 -4.36 4.04 0.00 1.61 0.31 -1.26 -3.75 118.33 114.93 1bal n VAL 35 Ca -0.05 -4.27 0.00 0.00 -0.01 0.00 0.00 64.34 60.01 1bal n VAL 35 Cb 0.69 -2.41 0.00 0.00 -0.91 0.00 0.00 33.84 31.21 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 4.71 2.25 0.00 2.92 0.00 -1.26 -4.70 105.19 109.11 1bal n GLY 36 Ca 0.44 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.42 3.72 -0.02 0.00 -1.09 -5.12 105.19 103.10 1bal n GLY 37 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1bal n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bal n ARG 38 N 0.00 2.33 -2.72 1.61 1.74 -1.26 -4.74 116.66 113.62 1bal n ARG 38 Ca 0.00 0.82 -0.43 0.00 -0.77 0.00 0.00 57.85 57.47 1bal n ARG 38 Cb 0.00 -2.49 -0.03 0.00 -1.02 0.00 0.00 32.46 28.92 1bal n ARG 38 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1bal s LEU 39 N -0.81 3.87 0.00 0.55 2.96 -1.26 -3.71 118.68 120.27 1bal s LEU 39 Ca 0.60 0.46 0.05 0.00 -0.22 0.00 0.00 54.13 55.02 1bal s LEU 39 Cb -0.56 -3.37 0.07 0.00 0.50 0.00 0.00 46.19 42.83 1bal s LEU 39 CO 0.56 -1.05 0.57 0.35 -1.32 0.00 0.00 176.35 175.46 1bal n THR 40 N 6.39 0.00 0.17 3.68 -2.24 -1.26 -5.02 114.28 116.00 1bal n THR 40 Ca 0.09 -1.25 0.12 0.00 -2.27 0.00 0.00 64.05 60.74 1bal n THR 40 Cb 0.48 -0.75 0.05 0.00 -2.10 0.00 0.00 70.33 68.01 1bal n THR 40 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1bal h ARG 41 N 0.00 0.00 -1.15 -0.78 2.43 -1.97 -3.33 114.38 109.58 1bal h ARG 41 Ca -0.19 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1bal h ARG 41 Cb 0.83 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1bal h ARG 41 CO 0.26 0.00 0.00 -1.91 -1.51 0.00 0.00 179.97 176.81 1bal n GLU 42 N -2.69 0.83 0.00 0.20 2.13 -1.26 -2.81 120.64 117.04 1bal n GLU 42 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 1bal n GLU 42 Cb 0.54 -1.11 0.00 0.00 0.27 0.00 0.00 31.44 31.14 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 0.56 2.37 0.00 4.31 8.00 -1.25 -4.77 116.55 125.78 1bal n ASP 43 Ca 0.00 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.61 1bal n ASP 43 Cb 0.40 0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.67 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 -1.38 0.02 -0.04 2.53 0.31 -1.14 -4.31 118.33 114.32 1bal n VAL 44 Ca 0.00 -0.06 -0.12 0.00 -0.01 0.00 0.00 64.34 64.15 1bal n VAL 44 Cb 0.25 0.69 -0.06 0.00 -0.91 0.00 0.00 33.84 33.80 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 0.24 -0.22 5.55 4.22 -1.82 -0.33 114.58 122.23 1bal h GLU 45 Ca 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.37 1bal h GLU 45 Cb 0.56 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1bal h GLU 45 CO 0.00 0.46 0.00 0.36 -2.18 0.00 0.00 179.01 177.65 1bal n LYS 46 N -4.78 0.66 0.00 1.92 0.00 -1.26 -2.18 118.16 112.52 1bal n LYS 46 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 1bal n LYS 46 Cb 0.20 -1.11 0.00 0.00 -0.00 0.00 0.00 35.03 34.12 1bal n LYS 46 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 1bal n HIS 47 N -0.28 0.00 -1.52 5.58 -0.00 -0.76 -5.07 115.22 113.18 1bal n HIS 47 Ca 0.00 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.88 1bal n HIS 47 Cb 0.05 0.00 0.10 0.00 -0.12 0.00 0.00 29.99 30.03 1bal n HIS 47 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1bal s LEU 48 N -1.61 2.48 -0.27 0.27 1.43 -0.21 -5.07 118.68 115.69 1bal s LEU 48 Ca 0.00 1.27 -0.27 0.00 -1.03 0.00 0.00 54.13 54.11 1bal s LEU 48 Cb 0.00 -3.82 0.17 0.00 0.03 0.00 0.00 46.19 42.56 1bal s LEU 48 CO 0.00 -2.12 1.29 0.00 0.23 0.00 0.00 176.35 175.75 1bal s ALA 49 N -3.15 -2.11 1.07 4.21 0.00 -1.26 -5.03 121.76 115.48 1bal s ALA 49 Ca 0.61 1.76 -0.14 0.00 0.00 0.00 0.00 51.96 54.19 1bal s ALA 49 Cb -0.15 -1.52 0.22 0.00 0.00 0.00 0.00 23.12 21.68 1bal s ALA 49 CO 0.54 -0.19 1.10 0.15 0.00 0.00 0.00 175.76 177.37 1bal s LYS 50 N -0.32 -0.15 0.00 0.00 3.01 -1.26 -5.21 119.74 115.81 1bal s LYS 50 Ca 0.06 0.32 0.26 0.00 -1.01 0.00 0.00 55.97 55.60 1bal s LYS 50 Cb -0.03 -1.69 0.61 0.00 -1.01 0.00 0.00 37.83 35.70 1bal s LYS 50 CO -0.10 -3.08 1.49 0.00 0.51 0.00 0.00 175.35 174.18