#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 -0.85 0.72 -0.72 0.00 -1.26 -5.14 121.76 114.50 1bal s ALA 2 Ca 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 51.96 52.07 1bal s ALA 2 Cb 0.00 -1.87 0.12 0.00 0.00 0.00 0.00 23.12 21.37 1bal s ALA 2 CO 0.00 -1.63 0.99 -1.54 0.00 0.00 0.00 175.76 173.59 1bal s SER 3 N 2.46 4.40 0.22 0.00 1.04 -1.26 -4.98 113.70 115.58 1bal s SER 3 Ca 0.10 -0.21 -0.08 0.00 0.48 0.00 0.00 55.95 56.23 1bal s SER 3 Cb -0.14 -0.22 0.24 0.00 0.10 0.00 0.00 66.02 66.00 1bal s SER 3 CO -0.28 -1.82 1.86 0.25 0.98 0.00 0.00 173.24 174.23 1bal h LEU 4 N -0.54 0.79 -6.91 2.42 6.46 -2.09 -3.17 115.31 112.26 1bal h LEU 4 Ca -0.38 0.00 -0.76 0.00 -0.12 0.00 0.00 57.88 56.62 1bal h LEU 4 Cb 1.27 -0.17 -0.19 0.00 -0.73 0.00 0.00 40.66 40.85 1bal h LEU 4 CO 0.43 0.54 1.58 -0.62 -0.62 0.00 0.00 178.44 179.75 1bal n GLU 5 N -4.63 3.68 -2.86 1.25 -0.58 -1.26 -4.83 120.64 111.41 1bal n GLU 5 Ca 0.09 -3.82 -0.37 0.00 -0.42 0.00 0.00 57.16 52.65 1bal n GLU 5 Cb 0.10 -2.87 -0.01 0.00 -0.57 0.00 0.00 31.44 28.09 1bal n GLU 5 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1bal n GLU 6 N 3.89 4.44 -0.26 3.49 2.13 -1.20 -4.84 120.64 128.29 1bal n GLU 6 Ca 0.36 -4.70 0.00 0.00 0.66 0.00 0.00 57.16 53.48 1bal n GLU 6 Cb 0.38 -2.40 0.00 0.00 0.27 0.00 0.00 31.44 29.69 1bal n GLU 6 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1bal n GLN 7 N 0.24 0.89 -3.32 5.31 -0.00 -1.26 -4.84 117.38 114.39 1bal n GLN 7 Ca 0.37 0.00 -0.22 0.00 -0.00 0.00 0.00 57.00 57.15 1bal n GLN 7 Cb 0.32 -1.06 -0.00 0.00 -0.00 0.00 0.00 30.24 29.50 1bal n GLN 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1bal s ASN 8 N 1.60 6.09 0.08 2.61 4.22 -1.26 -5.01 114.94 123.26 1bal s ASN 8 Ca 0.00 0.26 0.00 0.00 -2.14 0.00 0.00 52.86 50.98 1bal s ASN 8 Cb 0.00 -1.73 0.00 0.00 1.28 0.00 0.00 41.25 40.80 1bal s ASN 8 CO 0.00 -0.43 0.00 -3.20 -2.04 0.00 0.00 177.10 171.43 1bal n ASN 9 N -1.82 -0.46 -3.69 3.54 5.15 -1.26 -5.14 115.26 111.58 1bal n ASN 9 Ca -0.02 0.14 -0.11 0.00 -0.60 0.00 0.00 54.58 53.99 1bal n ASN 9 Cb 0.57 0.65 -0.10 0.00 -0.53 0.00 0.00 39.78 40.37 1bal n ASN 9 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 1bal s ASP 10 N -2.70 -0.59 0.43 1.20 1.47 -1.26 -5.17 116.67 110.05 1bal s ASP 10 Ca 0.00 1.03 0.03 0.00 1.18 0.00 0.00 52.55 54.79 1bal s ASP 10 Cb 0.00 0.94 0.00 0.00 -0.34 0.00 0.00 42.92 43.52 1bal s ASP 10 CO 0.00 -0.20 0.61 0.00 0.68 0.00 0.00 175.17 176.27 1bal s ALA 11 N 1.14 4.00 0.18 2.11 0.00 -1.26 -5.12 121.76 122.81 1bal s ALA 11 Ca -0.07 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.61 1bal s ALA 11 Cb -0.06 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 21.12 1bal s ALA 11 CO -0.11 -0.32 0.00 1.28 0.00 0.00 0.00 175.76 176.62 1bal n LEU 12 N -1.96 0.00 -4.62 0.00 4.77 -1.26 -5.04 117.00 108.89 1bal n LEU 12 Ca 0.02 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.58 1bal n LEU 12 Cb 0.58 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.64 1bal n LEU 12 CO 0.45 -0.38 0.76 -0.55 -1.33 0.00 0.00 177.39 176.33 1bal s SER 13 N -1.00 6.75 0.00 -1.43 0.15 -1.26 -4.88 113.70 112.03 1bal s SER 13 Ca 0.00 0.76 0.01 0.00 0.70 0.00 0.00 55.95 57.42 1bal s SER 13 Cb 0.00 -2.47 0.05 0.00 -1.71 0.00 0.00 66.02 61.89 1bal s SER 13 CO 0.00 -0.77 0.75 -2.65 1.20 0.00 0.00 173.24 171.77 1bal n PRO 14 N 6.58 0.02 0.02 5.44 -0.02 -1.26 -0.21 135.00 145.57 1bal n PRO 14 Ca 0.07 0.20 0.11 0.00 -2.02 0.00 0.00 63.50 61.86 1bal n PRO 14 Cb 0.48 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.38 1bal n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bal n ALA 15 N -1.21 3.30 0.02 3.55 0.00 -1.26 -4.17 120.51 120.73 1bal n ALA 15 Ca 0.01 -0.46 0.23 0.00 0.00 0.00 0.00 53.44 53.21 1bal n ALA 15 Cb 0.01 -0.87 0.70 0.00 0.00 0.00 0.00 19.45 19.28 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 0.32 0.15 0.00 2.10 -0.99 0.17 117.51 119.25 1bal h ILE 16 Ca 0.00 0.00 -0.23 0.00 1.08 0.00 0.00 64.86 65.71 1bal h ILE 16 Cb 0.83 0.53 0.01 0.00 -1.09 0.00 0.00 36.82 37.10 1bal h ILE 16 CO 0.00 0.00 -1.10 0.03 -1.08 0.00 0.00 178.15 176.00 1bal h ARG 17 N 0.00 0.31 -0.68 2.19 2.47 -1.76 -3.28 114.38 113.62 1bal h ARG 17 Ca 0.26 -0.52 0.00 0.00 -1.26 0.00 0.00 59.98 58.46 1bal h ARG 17 Cb 1.45 0.20 0.00 0.00 -1.65 0.00 0.00 29.97 29.96 1bal h ARG 17 CO -0.00 1.25 0.00 0.54 0.56 0.00 0.00 179.97 182.32 1bal n ARG 18 N -4.01 2.10 -0.10 0.04 5.12 0.26 -4.02 116.66 116.06 1bal n ARG 18 Ca -0.18 -1.01 -0.17 0.00 -1.93 0.00 0.00 57.85 54.55 1bal n ARG 18 Cb 0.88 -1.60 -0.07 0.00 -1.16 0.00 0.00 32.46 30.52 1bal n ARG 18 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1bal n LEU 19 N 0.22 1.89 0.00 0.55 7.94 0.34 -3.26 117.00 124.67 1bal n LEU 19 Ca 0.09 0.43 0.03 0.00 -1.11 0.00 0.00 56.01 55.45 1bal n LEU 19 Cb 0.47 -0.86 0.14 0.00 0.53 0.00 0.00 43.42 43.70 1bal n LEU 19 CO 0.09 0.06 0.43 0.18 -1.11 0.00 0.00 177.39 177.04 1bal n LEU 20 N -4.44 0.00 -0.11 -1.96 4.77 -1.26 -2.03 117.00 111.98 1bal n LEU 20 Ca -0.28 0.12 -0.17 0.00 -0.03 0.00 0.00 56.01 55.64 1bal n LEU 20 Cb 0.60 -0.12 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 1bal n LEU 20 CO 0.13 -0.10 -1.26 0.00 -1.33 0.00 0.00 177.39 174.83 1bal n ALA 21 N -1.12 1.50 -0.18 -1.18 0.00 -1.26 -2.75 120.51 115.52 1bal n ALA 21 Ca 0.03 -0.97 -0.07 0.00 0.00 0.00 0.00 53.44 52.43 1bal n ALA 21 Cb 0.03 0.01 0.02 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.15 0.71 -0.01 0.00 4.81 -1.39 -2.73 114.58 115.82 1bal h GLU 22 Ca -0.52 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.64 1bal h GLU 22 Cb 1.74 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.97 1bal h GLU 22 CO -0.13 0.52 -0.47 0.72 -0.73 0.00 0.00 179.01 178.92 1bal n HIS 23 N -4.67 0.00 -3.02 0.92 8.25 -1.10 -5.03 115.22 110.56 1bal n HIS 23 Ca 0.03 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1bal n HIS 23 Cb 0.06 -0.02 -0.00 0.00 1.12 0.00 0.00 29.99 31.14 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 -0.18 -6.62 -4.30 0.41 3.02 -1.03 -5.00 115.26 101.57 1bal n ASN 24 Ca 0.09 0.80 -0.25 0.00 -0.03 0.00 0.00 54.58 55.20 1bal n ASN 24 Cb 0.45 -2.69 -0.13 0.00 -0.61 0.00 0.00 39.78 36.80 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 -0.94 2.30 -0.94 3.41 1.43 -1.11 -5.01 118.68 117.82 1bal s LEU 25 Ca -0.02 -0.69 -0.19 0.00 -1.03 0.00 0.00 54.13 52.20 1bal s LEU 25 Cb 0.00 -0.93 0.13 0.00 0.03 0.00 0.00 46.19 45.42 1bal s LEU 25 CO 0.24 0.08 1.14 1.51 0.23 0.00 0.00 176.35 179.55 1bal s ASP 26 N -1.90 6.64 0.03 2.29 1.47 -1.26 -4.82 116.67 119.12 1bal s ASP 26 Ca 0.07 -2.07 0.02 0.00 1.18 0.00 0.00 52.55 51.75 1bal s ASP 26 Cb -0.10 -2.40 0.09 0.00 -0.34 0.00 0.00 42.92 40.17 1bal s ASP 26 CO 0.04 -1.06 0.95 0.00 0.68 0.00 0.00 175.17 175.79 1bal n ALA 27 N 6.55 0.80 0.07 2.11 0.00 -1.26 -0.08 120.51 128.70 1bal n ALA 27 Ca 0.25 0.02 -0.06 0.00 0.00 0.00 0.00 53.44 53.64 1bal n ALA 27 Cb 0.49 -0.82 -0.10 0.00 0.00 0.00 0.00 19.45 19.02 1bal n ALA 27 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1bal h SER 28 N 0.00 0.00 0.80 0.00 0.87 -2.03 -3.24 113.55 109.95 1bal h SER 28 Ca 0.00 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 1bal h SER 28 Cb 0.21 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1bal h SER 28 CO 0.00 0.92 -0.52 0.00 -0.53 0.00 0.00 176.83 176.71 1bal h ALA 29 N 1.08 0.93 -2.64 6.23 0.00 -0.90 -3.43 119.26 120.52 1bal h ALA 29 Ca -0.03 -0.47 -0.57 0.00 0.00 0.00 0.00 54.91 53.84 1bal h ALA 29 Cb 1.73 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.39 1bal h ALA 29 CO 0.12 0.65 -0.09 0.42 0.00 0.00 0.00 179.25 180.34 1bal s ILE 30 N -3.52 4.85 0.07 0.00 -1.09 -1.22 -5.07 121.20 115.21 1bal s ILE 30 Ca -0.00 0.95 -0.09 0.00 -2.23 0.00 0.00 60.65 59.28 1bal s ILE 30 Cb 0.11 -3.78 -0.06 0.00 -1.58 0.00 0.00 42.46 37.15 1bal s ILE 30 CO 0.73 0.39 0.37 -0.54 -1.23 0.00 0.00 174.94 174.67 1bal s LYS 31 N -1.55 3.72 -0.28 2.79 1.02 -1.26 -4.95 119.74 119.22 1bal s LYS 31 Ca 0.33 0.12 -0.16 0.00 0.02 0.00 0.00 55.97 56.28 1bal s LYS 31 Cb -0.17 -3.01 -0.03 0.00 -0.52 0.00 0.00 37.83 34.10 1bal s LYS 31 CO 0.18 0.58 0.40 0.20 -0.92 0.00 0.00 175.35 175.79 1bal s GLY 32 N -1.77 1.87 0.00 -3.33 0.00 -1.26 -4.92 107.32 97.92 1bal s GLY 32 Ca 0.32 -0.85 0.23 0.00 0.00 0.00 0.00 44.72 44.43 1bal s GLY 32 CO 0.18 1.04 1.18 -1.30 0.00 0.00 0.00 173.10 174.20 1bal n THR 33 N 5.16 0.00 -0.28 0.90 -2.24 -1.26 -4.33 114.28 112.23 1bal n THR 33 Ca -0.08 -0.01 -0.16 0.00 -2.27 0.00 0.00 64.05 61.54 1bal n THR 33 Cb 0.50 0.63 0.15 0.00 -2.10 0.00 0.00 70.33 69.51 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 1.49 -2.71 3.73 3.38 0.00 -1.23 -4.72 105.19 105.13 1bal n GLY 34 Ca 0.05 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 1bal n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bal s VAL 35 N -1.70 3.19 0.00 1.61 1.01 -1.26 -1.99 120.40 121.25 1bal s VAL 35 Ca 0.34 0.90 0.00 0.00 0.00 0.00 0.00 61.98 63.22 1bal s VAL 35 Cb -0.06 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1bal s VAL 35 CO 0.29 0.10 0.00 0.61 0.00 0.00 0.00 175.10 176.09 1bal n GLY 36 N 3.01 3.00 0.37 4.51 0.00 -1.26 -3.34 105.19 111.47 1bal n GLY 36 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.00 1.20 3.81 -0.02 0.00 -0.84 -5.08 105.19 102.26 1bal n GLY 37 Ca 0.00 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.29 4.22 0.48 1.61 0.52 -1.21 -4.50 118.95 118.78 1bal s ARG 38 Ca 0.00 0.75 -0.20 0.00 -0.52 0.00 0.00 55.73 55.75 1bal s ARG 38 Cb 0.00 -3.25 -0.08 0.00 0.52 0.00 0.00 34.95 32.14 1bal s ARG 38 CO 0.00 0.61 1.04 -1.17 0.02 0.00 0.00 175.30 175.81 1bal s LEU 39 N -1.03 3.86 0.00 2.53 2.96 -1.26 -3.53 118.68 122.22 1bal s LEU 39 Ca 0.29 1.94 0.00 0.00 -0.22 0.00 0.00 54.13 56.15 1bal s LEU 39 Cb -0.19 -4.54 0.00 0.00 0.50 0.00 0.00 46.19 41.96 1bal s LEU 39 CO 0.19 -0.77 0.00 0.35 -1.32 0.00 0.00 176.35 174.80 1bal n THR 40 N -0.91 0.00 -0.10 3.68 -2.24 -1.26 -5.02 114.28 108.42 1bal n THR 40 Ca 0.09 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.63 1bal n THR 40 Cb 0.52 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.64 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 0.60 0.00 -0.78 3.00 -1.26 -3.71 116.66 114.51 1bal n ARG 41 Ca 0.00 0.44 0.00 0.00 -0.00 0.00 0.00 57.85 58.29 1bal n ARG 41 Cb 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 32.46 30.79 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 -4.22 0.00 -0.11 -0.14 1.02 -1.26 0.13 120.64 116.06 1bal n GLU 42 Ca -0.39 0.30 -0.25 0.00 -0.02 0.00 0.00 57.16 56.80 1bal n GLU 42 Cb 0.79 -1.70 -0.11 0.00 -0.02 0.00 0.00 31.44 30.40 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 -1.30 1.93 0.15 1.62 8.00 -1.26 -4.29 116.55 121.41 1bal n ASP 43 Ca 0.00 0.34 0.13 0.00 0.71 0.00 0.00 54.79 55.97 1bal n ASP 43 Cb 0.20 -0.87 0.38 0.00 -0.02 0.00 0.00 41.12 40.82 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 -0.87 0.00 0.00 2.53 2.07 -1.12 -3.09 116.25 115.77 1bal h VAL 44 Ca -0.52 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 66.39 1bal h VAL 44 Cb 1.52 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.82 1bal h VAL 44 CO -0.28 0.00 -0.17 -0.08 0.02 0.00 0.00 177.57 177.06 1bal h GLU 45 N 0.00 0.00 -0.67 1.57 4.81 -0.50 -1.49 114.58 118.30 1bal h GLU 45 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1bal h GLU 45 Cb 0.73 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.11 1bal h GLU 45 CO 0.00 0.17 0.00 1.63 -0.73 0.00 0.00 179.01 180.08 1bal n LYS 46 N -3.75 3.86 -0.01 1.92 4.76 -1.17 -3.88 118.16 119.91 1bal n LYS 46 Ca -0.02 -2.37 0.00 0.00 -2.87 0.00 0.00 58.31 53.05 1bal n LYS 46 Cb 0.28 -2.04 0.00 0.00 -1.84 0.00 0.00 35.03 31.43 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 0.52 0.00 -1.60 2.13 -0.00 -0.57 -4.96 115.22 110.75 1bal n HIS 47 Ca 0.21 -0.17 -0.35 0.00 0.46 0.00 0.00 57.72 57.87 1bal n HIS 47 Cb 0.94 -0.02 -0.06 0.00 -0.12 0.00 0.00 29.99 30.73 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 -0.17 3.39 0.00 0.27 4.77 -1.18 -4.89 117.00 119.19 1bal n LEU 48 Ca 0.00 -2.97 -0.08 0.00 -0.03 0.00 0.00 56.01 52.92 1bal n LEU 48 Cb 0.42 -1.42 0.05 0.00 -2.33 0.00 0.00 43.42 40.14 1bal n LEU 48 CO 0.00 -1.24 0.22 0.00 -1.33 0.00 0.00 177.39 175.04 1bal n ALA 49 N 11.30 -0.07 -0.10 -1.18 0.00 -1.26 -5.05 120.51 124.14 1bal n ALA 49 Ca 0.47 -0.64 -0.24 0.00 0.00 0.00 0.00 53.44 53.03 1bal n ALA 49 Cb 0.44 0.08 -0.11 0.00 0.00 0.00 0.00 19.45 19.85 1bal n ALA 49 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1bal n LYS 50 N -1.70 0.63 0.00 0.00 2.85 -1.26 -5.13 118.16 113.54 1bal n LYS 50 Ca 0.06 0.31 0.00 0.00 -1.05 0.00 0.00 58.31 57.63 1bal n LYS 50 Cb 0.20 -1.60 0.00 0.00 -0.65 0.00 0.00 35.03 32.98 1bal n LYS 50 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35