#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bal s ALA 2 N 0.00 -0.53 0.00 -3.48 0.00 -1.26 -5.09 121.76 111.39 1bal s ALA 2 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1bal s ALA 2 Cb 0.00 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1bal s ALA 2 CO 0.00 -0.31 0.00 0.45 0.00 0.00 0.00 175.76 175.90 1bal n SER 3 N 1.00 0.00 -0.31 0.00 2.88 -1.26 -5.01 113.62 110.91 1bal n SER 3 Ca -0.20 -0.32 0.17 0.00 -1.33 0.00 0.00 58.87 57.19 1bal n SER 3 Cb 0.57 0.00 0.36 0.00 -0.75 0.00 0.00 64.21 64.40 1bal n SER 3 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1bal h LEU 4 N 0.00 0.12 -7.66 2.46 3.38 -2.02 -2.76 115.31 108.83 1bal h LEU 4 Ca 0.00 0.21 -0.76 0.00 0.09 0.00 0.00 57.88 57.42 1bal h LEU 4 Cb 0.00 0.25 -0.22 0.00 0.09 0.00 0.00 40.66 40.79 1bal h LEU 4 CO 0.00 -0.19 1.00 -1.61 0.09 0.00 0.00 178.44 177.73 1bal s GLU 5 N -5.84 4.14 0.08 1.13 2.02 -1.26 -4.86 118.70 114.11 1bal s GLU 5 Ca -0.11 -2.83 -0.36 0.00 0.02 0.00 0.00 54.97 51.68 1bal s GLU 5 Cb 0.28 -4.87 -0.18 0.00 0.10 0.00 0.00 34.13 29.47 1bal s GLU 5 CO 0.78 -1.56 1.56 0.93 0.02 0.00 0.00 175.26 176.99 1bal h GLU 6 N 6.96 -1.00 0.00 1.61 5.08 -1.90 -3.43 114.58 121.91 1bal h GLU 6 Ca 0.26 0.07 -0.41 0.00 -1.00 0.00 0.00 59.36 58.28 1bal h GLU 6 Cb 0.87 0.23 0.16 0.00 0.50 0.00 0.00 28.75 30.51 1bal h GLU 6 CO 1.16 -0.66 0.37 1.04 -1.00 0.00 0.00 179.01 179.92 1bal n GLN 7 N -5.57 -1.14 0.00 2.33 6.02 -1.26 -4.87 117.38 112.88 1bal n GLN 7 Ca -0.12 -1.98 0.00 0.00 -0.01 0.00 0.00 57.00 54.88 1bal n GLN 7 Cb 0.47 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 30.49 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 -3.74 0.00 -4.50 1.08 3.02 -1.26 -4.89 115.26 104.97 1bal n ASN 8 Ca 0.16 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.27 1bal n ASN 8 Cb 0.54 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.71 1bal n ASN 8 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1bal n ASN 9 N 0.00 -0.14 0.00 6.41 3.02 -1.26 -4.91 115.26 118.38 1bal n ASN 9 Ca 0.00 1.03 0.00 0.00 -0.03 0.00 0.00 54.58 55.58 1bal n ASN 9 Cb 0.00 -1.16 0.00 0.00 -0.61 0.00 0.00 39.78 38.01 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 1.30 0.00 0.00 6.41 8.00 -1.26 -5.01 116.55 125.99 1bal n ASP 10 Ca 0.12 0.45 0.00 0.00 0.71 0.00 0.00 54.79 56.07 1bal n ASP 10 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 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 -0.85 0.00 -1.27 2.24 0.00 -1.26 -5.15 120.51 114.22 1bal n ALA 11 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1bal n ALA 11 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.15 1.23 -0.06 0.00 1.43 -1.26 -5.07 118.68 114.80 1bal s LEU 12 Ca 0.00 0.64 0.04 0.00 -1.03 0.00 0.00 54.13 53.77 1bal s LEU 12 Cb 0.00 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.72 1bal s LEU 12 CO 0.00 -3.68 -0.16 -0.55 0.23 0.00 0.00 176.35 172.19 1bal s SER 13 N -4.04 2.11 0.60 2.29 0.15 -1.26 -5.01 113.70 108.54 1bal s SER 13 Ca 0.70 -0.35 0.32 0.00 0.70 0.00 0.00 55.95 57.32 1bal s SER 13 Cb -0.10 -0.76 1.90 0.00 -1.71 0.00 0.00 66.02 65.36 1bal s SER 13 CO 0.55 0.11 2.26 1.55 1.20 0.00 0.00 173.24 178.92 1bal h PRO 14 N 6.54 0.00 -0.83 5.44 0.13 -2.05 -0.46 132.00 140.77 1bal h PRO 14 Ca -0.30 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.76 1bal h PRO 14 Cb 1.19 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 1bal h PRO 14 CO 0.48 0.01 0.08 0.00 -0.23 0.00 0.00 178.00 178.34 1bal n ALA 15 N -2.28 3.45 -0.06 -0.56 0.00 -1.26 -3.99 120.51 115.82 1bal n ALA 15 Ca -0.03 -1.14 -0.18 0.00 0.00 0.00 0.00 53.44 52.09 1bal n ALA 15 Cb 0.09 -1.11 -0.13 0.00 0.00 0.00 0.00 19.45 18.30 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 0.17 1.62 0.06 0.00 3.06 -0.18 -3.95 119.36 120.14 1bal n ILE 16 Ca 0.19 -0.65 -0.03 0.00 -2.50 0.00 0.00 62.75 59.76 1bal n ILE 16 Cb 0.84 -1.45 0.20 0.00 0.54 0.00 0.00 39.64 39.77 1bal n ILE 16 CO 0.00 0.00 0.00 0.03 -2.50 0.00 0.00 176.55 174.08 1bal h ARG 17 N 0.03 0.34 -0.46 9.51 3.08 -1.75 -2.28 114.38 122.86 1bal h ARG 17 Ca -0.49 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.41 1bal h ARG 17 Cb 2.00 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 32.04 1bal h ARG 17 CO 0.01 0.67 0.00 0.54 -1.07 0.00 0.00 179.97 180.13 1bal n ARG 18 N -4.04 1.74 -0.10 0.04 1.74 -1.26 -3.69 116.66 111.10 1bal n ARG 18 Ca -0.01 -0.84 -0.19 0.00 -0.77 0.00 0.00 57.85 56.03 1bal n ARG 18 Cb 0.47 -1.37 -0.12 0.00 -1.02 0.00 0.00 32.46 30.42 1bal n ARG 18 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1bal n LEU 19 N 0.16 2.87 0.09 0.55 7.94 -0.86 -3.91 117.00 123.84 1bal n LEU 19 Ca 0.08 -0.04 -0.16 0.00 -1.11 0.00 0.00 56.01 54.78 1bal n LEU 19 Cb 0.31 -0.96 -0.10 0.00 0.53 0.00 0.00 43.42 43.20 1bal n LEU 19 CO 0.07 0.91 0.04 -0.07 -1.11 0.00 0.00 177.39 177.23 1bal h LEU 20 N -0.01 0.57 0.00 -1.96 3.38 -1.65 -3.02 115.31 112.62 1bal h LEU 20 Ca -0.54 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 56.91 1bal h LEU 20 Cb 1.92 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.50 1bal h LEU 20 CO -0.05 1.35 0.00 0.00 0.09 0.00 0.00 178.44 179.83 1bal n ALA 21 N -2.57 2.07 -0.08 1.53 0.00 -1.24 0.96 120.51 121.19 1bal n ALA 21 Ca -0.09 -0.10 -0.22 0.00 0.00 0.00 0.00 53.44 53.03 1bal n ALA 21 Cb 0.94 -1.33 -0.12 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.29 0.66 -0.00 0.00 4.07 -1.16 -4.43 120.64 118.49 1bal n GLU 22 Ca 0.10 0.31 0.10 0.00 -0.06 0.00 0.00 57.16 57.61 1bal n GLU 22 Cb 0.16 -1.64 -0.13 0.00 -0.06 0.00 0.00 31.44 29.78 1bal n GLU 22 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 1bal n HIS 23 N -3.80 0.00 -2.89 4.31 8.25 -1.15 -5.05 115.22 114.89 1bal n HIS 23 Ca -0.39 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.06 1bal n HIS 23 Cb 0.92 -0.08 -0.01 0.00 1.12 0.00 0.00 29.99 31.93 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 -1.62 -5.84 -4.23 0.41 3.02 0.27 -5.00 115.26 102.27 1bal n ASN 24 Ca 0.03 1.05 -0.27 0.00 -0.03 0.00 0.00 54.58 55.36 1bal n ASN 24 Cb 0.37 -3.61 -0.16 0.00 -0.61 0.00 0.00 39.78 35.77 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 -0.95 2.04 -1.12 3.41 1.43 -1.25 -5.05 118.68 117.20 1bal s LEU 25 Ca -0.07 -0.38 -0.22 0.00 -1.03 0.00 0.00 54.13 52.43 1bal s LEU 25 Cb 0.00 -1.09 -0.00 0.00 0.03 0.00 0.00 46.19 45.13 1bal s LEU 25 CO 0.43 0.26 1.77 -0.62 0.23 0.00 0.00 176.35 178.42 1bal s ASP 26 N -0.50 5.89 0.59 2.29 2.15 -1.26 -4.76 116.67 121.08 1bal s ASP 26 Ca 0.08 -1.62 0.29 0.00 0.43 0.00 0.00 52.55 51.74 1bal s ASP 26 Cb -0.08 -2.58 1.36 0.00 -0.30 0.00 0.00 42.92 41.32 1bal s ASP 26 CO -0.01 -2.12 1.74 0.00 -0.17 0.00 0.00 175.17 174.62 1bal h ALA 27 N 9.49 2.44 -1.06 3.66 0.00 -1.97 0.18 119.26 132.00 1bal h ALA 27 Ca 0.25 -0.02 0.29 0.00 0.00 0.00 0.00 54.91 55.43 1bal h ALA 27 Cb 0.95 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.72 1bal h ALA 27 CO 1.33 -1.03 0.73 1.03 0.00 0.00 0.00 179.25 181.31 1bal h SER 28 N 0.00 0.21 0.66 0.00 0.87 -2.05 0.64 113.55 113.87 1bal h SER 28 Ca 0.31 0.04 -0.18 0.00 -1.23 0.00 0.00 61.79 60.73 1bal h SER 28 Cb 1.70 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.65 1bal h SER 28 CO -0.00 0.04 -0.83 0.00 -0.53 0.00 0.00 176.83 175.51 1bal h ALA 29 N 1.53 0.60 -1.99 6.23 0.00 -1.04 -3.42 119.26 121.17 1bal h ALA 29 Ca 0.55 -0.71 -0.58 0.00 0.00 0.00 0.00 54.91 54.16 1bal h ALA 29 Cb 1.80 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 19.41 1bal h ALA 29 CO -0.14 0.94 0.73 0.42 0.00 0.00 0.00 179.25 181.20 1bal s ILE 30 N -3.23 4.54 -0.66 0.00 -1.09 0.22 -4.98 121.20 116.01 1bal s ILE 30 Ca -0.02 1.48 -0.26 0.00 -2.23 0.00 0.00 60.65 59.62 1bal s ILE 30 Cb 0.11 -4.37 0.04 0.00 -1.58 0.00 0.00 42.46 36.65 1bal s ILE 30 CO 0.81 -0.51 1.17 -0.54 -1.23 0.00 0.00 174.94 174.64 1bal s LYS 31 N 3.58 3.29 0.31 2.79 1.02 -1.26 -4.94 119.74 124.52 1bal s LYS 31 Ca 0.42 -0.19 -0.28 0.00 0.02 0.00 0.00 55.97 55.94 1bal s LYS 31 Cb -0.12 -4.12 -0.13 0.00 -0.52 0.00 0.00 37.83 32.93 1bal s LYS 31 CO 0.17 -1.89 1.09 0.41 -0.92 0.00 0.00 175.35 174.21 1bal n GLY 32 N 5.25 -0.02 1.29 -3.33 0.00 -1.26 -4.89 105.19 102.22 1bal n GLY 32 Ca 0.03 0.31 0.03 0.00 0.00 0.00 0.00 46.02 46.40 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 0.21 0.00 0.00 2.61 -2.24 -1.26 -4.68 114.28 108.92 1bal n THR 33 Ca 0.08 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1bal n THR 33 Cb 0.34 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 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 0.39 -2.97 0.35 3.38 0.00 -0.95 -4.45 105.19 100.94 1bal n GLY 34 Ca 0.04 -0.98 0.06 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.27 0.01 0.00 1.61 2.07 -1.97 -3.36 116.25 114.33 1bal h VAL 35 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1bal h VAL 35 Cb 0.00 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 1bal h VAL 35 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 1bal n GLY 36 N -1.47 0.00 0.00 2.17 0.00 -1.26 -5.01 105.19 99.62 1bal n GLY 36 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 2.79 -0.02 0.00 -1.26 -5.06 105.19 101.64 1bal n GLY 37 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1bal n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bal s ARG 38 N 0.00 0.07 0.68 1.61 0.52 -1.26 -4.92 118.95 115.65 1bal s ARG 38 Ca 0.00 0.42 -0.17 0.00 -0.52 0.00 0.00 55.73 55.46 1bal s ARG 38 Cb 0.00 -0.63 -0.02 0.00 0.52 0.00 0.00 34.95 34.82 1bal s ARG 38 CO 0.00 -0.42 0.88 -0.11 0.02 0.00 0.00 175.30 175.67 1bal n LEU 39 N 5.32 3.05 0.00 2.53 7.94 -1.26 -2.25 117.00 132.33 1bal n LEU 39 Ca -0.05 0.69 0.00 0.00 -1.11 0.00 0.00 56.01 55.54 1bal n LEU 39 Cb 0.50 -1.36 0.00 0.00 0.53 0.00 0.00 43.42 43.08 1bal n LEU 39 CO 0.06 -2.20 0.00 0.35 -1.11 0.00 0.00 177.39 174.48 1bal n THR 40 N -2.26 0.00 -0.07 1.96 -2.24 -1.26 -4.87 114.28 105.55 1bal n THR 40 Ca 0.13 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.78 1bal n THR 40 Cb 0.49 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.58 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 0.68 0.00 -0.78 0.00 -1.26 -4.03 116.66 111.27 1bal n ARG 41 Ca 0.00 0.15 0.08 0.00 -0.00 0.00 0.00 57.85 58.08 1bal n ARG 41 Cb 0.00 -1.63 0.44 0.00 0.00 0.00 0.00 32.46 31.27 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 -3.04 0.30 -0.03 -0.14 -0.58 -1.26 -1.78 120.64 114.11 1bal n GLU 42 Ca -0.30 0.10 -0.01 0.00 -0.42 0.00 0.00 57.16 56.53 1bal n GLU 42 Cb 1.08 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 30.31 1bal n GLU 42 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1bal n ASP 43 N -1.23 0.29 0.04 1.62 8.00 -1.26 -4.27 116.55 119.74 1bal n ASP 43 Ca 0.09 0.13 0.11 0.00 0.71 0.00 0.00 54.79 55.83 1bal n ASP 43 Cb 0.12 0.98 -0.09 0.00 -0.02 0.00 0.00 41.12 42.11 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 -2.67 0.28 0.17 2.53 0.31 -0.97 -4.37 118.33 113.62 1bal n VAL 44 Ca -0.18 -0.52 -0.14 0.00 -0.01 0.00 0.00 64.34 63.49 1bal n VAL 44 Cb 0.90 -0.15 -0.07 0.00 -0.91 0.00 0.00 33.84 33.61 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 -0.54 -2.07 5.55 4.81 -1.53 -1.70 114.58 119.10 1bal h GLU 45 Ca 0.00 0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.16 1bal h GLU 45 Cb 1.00 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.46 1bal h GLU 45 CO 0.00 -0.36 -0.19 1.63 -0.73 0.00 0.00 179.01 179.36 1bal n LYS 46 N -5.39 1.47 0.00 1.92 5.02 -1.26 -3.12 118.16 116.80 1bal n LYS 46 Ca -0.08 -0.58 0.00 0.00 -2.02 0.00 0.00 58.31 55.63 1bal n LYS 46 Cb 0.30 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 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 2.20 0.00 -0.25 2.13 -0.00 -0.84 -4.92 115.22 113.54 1bal n HIS 47 Ca 0.25 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.47 1bal n HIS 47 Cb 0.69 0.00 0.17 0.00 -0.12 0.00 0.00 29.99 30.73 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 0.32 0.00 0.27 3.38 -1.27 -3.18 115.31 114.83 1bal h LEU 48 Ca 0.00 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1bal h LEU 48 Cb 0.00 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1bal h LEU 48 CO 0.00 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.67 1bal n ALA 49 N -2.49 0.00 -3.40 1.53 0.00 -1.26 -4.85 120.51 110.05 1bal n ALA 49 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.45 1bal n ALA 49 Cb 0.38 0.10 -0.10 0.00 0.00 0.00 0.00 19.45 19.83 1bal n ALA 49 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1bal s LYS 50 N -0.70 0.45 0.00 0.00 2.20 -1.20 -5.23 119.74 115.26 1bal s LYS 50 Ca 0.00 0.61 0.32 0.00 -0.36 0.00 0.00 55.97 56.54 1bal s LYS 50 Cb 0.00 0.16 1.90 0.00 -1.51 0.00 0.00 37.83 38.39 1bal s LYS 50 CO 0.00 -0.08 2.23 0.00 -0.36 0.00 0.00 175.35 177.13