#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 -2.33 1.05 -0.72 0.00 -1.26 -5.16 121.76 113.34 1bal s ALA 2 Ca 0.00 1.09 -0.07 0.00 0.00 0.00 0.00 51.96 52.99 1bal s ALA 2 Cb 0.00 -2.48 0.10 0.00 0.00 0.00 0.00 23.12 20.73 1bal s ALA 2 CO 0.00 -1.78 0.42 0.45 0.00 0.00 0.00 175.76 174.85 1bal n SER 3 N 5.42 -0.83 0.13 0.00 2.88 -1.26 -4.99 113.62 114.97 1bal n SER 3 Ca 0.04 -0.90 -0.05 0.00 -1.33 0.00 0.00 58.87 56.63 1bal n SER 3 Cb 0.54 -0.35 -0.03 0.00 -0.75 0.00 0.00 64.21 63.61 1bal n SER 3 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1bal h LEU 4 N 0.00 -0.29 -8.45 2.46 5.85 -2.07 -3.39 115.31 109.42 1bal h LEU 4 Ca -0.15 0.01 -0.68 0.00 0.84 0.00 0.00 57.88 57.90 1bal h LEU 4 Cb 0.43 0.08 -0.18 0.00 0.37 0.00 0.00 40.66 41.36 1bal h LEU 4 CO 0.10 -0.18 0.02 -1.83 -0.34 0.00 0.00 178.44 176.21 1bal s GLU 5 N -3.43 3.15 -0.07 1.25 -1.05 -1.26 -4.90 118.70 112.38 1bal s GLU 5 Ca -0.05 -0.77 0.01 0.00 -0.15 0.00 0.00 54.97 54.01 1bal s GLU 5 Cb 0.01 -4.05 0.12 0.00 -0.44 0.00 0.00 34.13 29.77 1bal s GLU 5 CO 0.15 -1.12 1.07 -0.85 0.95 0.00 0.00 175.26 175.46 1bal n GLU 6 N 6.10 1.32 0.00 -4.83 0.28 -1.26 -3.68 120.64 118.56 1bal n GLU 6 Ca -0.06 -0.54 0.12 0.00 -0.16 0.00 0.00 57.16 56.53 1bal n GLU 6 Cb 0.46 -1.30 0.24 0.00 1.43 0.00 0.00 31.44 32.28 1bal n GLU 6 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1bal n GLN 7 N 0.19 1.55 -1.48 3.44 6.02 -1.26 -4.33 117.38 121.51 1bal n GLN 7 Ca 0.10 -1.14 -0.29 0.00 -0.01 0.00 0.00 57.00 55.66 1bal n GLN 7 Cb 0.65 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 30.42 1bal n GLN 7 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1bal n ASN 8 N 0.27 6.76 0.00 1.08 2.85 -1.24 -3.90 115.26 121.08 1bal n ASN 8 Ca 0.14 -3.35 0.00 0.00 -0.11 0.00 0.00 54.58 51.26 1bal n ASN 8 Cb 0.45 -1.16 0.00 0.00 1.24 0.00 0.00 39.78 40.31 1bal n ASN 8 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1bal n ASN 9 N 0.40 0.00 -4.73 1.20 4.13 -1.26 -5.09 115.26 109.91 1bal n ASN 9 Ca 0.48 -1.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.33 1bal n ASN 9 Cb 0.50 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.71 1bal n ASN 9 CO 0.00 0.00 0.00 1.51 0.28 0.00 0.00 177.26 179.05 1bal s ASP 10 N 0.00 6.91 0.00 6.41 1.47 -1.25 -4.93 116.67 125.27 1bal s ASP 10 Ca 0.00 2.34 0.00 0.00 1.18 0.00 0.00 52.55 56.07 1bal s ASP 10 Cb 0.00 -2.60 0.00 0.00 -0.34 0.00 0.00 42.92 39.98 1bal s ASP 10 CO 0.00 -0.54 0.00 0.00 0.68 0.00 0.00 175.17 175.31 1bal n ALA 11 N 3.01 0.00 -1.25 2.11 0.00 -1.26 -5.16 120.51 117.96 1bal n ALA 11 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1bal n ALA 11 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 0.00 0.00 -3.49 0.00 4.77 -1.26 -5.09 117.00 111.92 1bal n LEU 12 Ca 0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.73 1bal n LEU 12 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1bal n LEU 12 CO 0.00 -0.02 -0.27 -0.55 -1.33 0.00 0.00 177.39 175.22 1bal s SER 13 N -1.00 2.82 0.00 -1.43 0.15 -1.26 -4.98 113.70 108.00 1bal s SER 13 Ca 0.00 -1.06 0.03 0.00 0.70 0.00 0.00 55.95 55.62 1bal s SER 13 Cb 0.00 -0.04 0.14 0.00 -1.71 0.00 0.00 66.02 64.41 1bal s SER 13 CO 0.00 -0.42 0.83 -2.65 1.20 0.00 0.00 173.24 172.21 1bal n PRO 14 N 5.27 0.05 0.00 5.44 -0.02 -1.26 -0.09 135.00 144.40 1bal n PRO 14 Ca -0.05 0.20 0.10 0.00 -2.02 0.00 0.00 63.50 61.73 1bal n PRO 14 Cb 0.44 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.41 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 -1.22 3.50 0.08 3.55 0.00 -1.26 -4.39 120.51 120.77 1bal n ALA 15 Ca 0.01 -0.60 0.19 0.00 0.00 0.00 0.00 53.44 53.04 1bal n ALA 15 Cb 0.02 -0.71 0.55 0.00 0.00 0.00 0.00 19.45 19.31 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 2.07 0.13 0.19 0.00 2.10 -0.91 0.80 117.51 121.88 1bal h ILE 16 Ca 0.00 0.00 -0.31 0.00 1.08 0.00 0.00 64.86 65.63 1bal h ILE 16 Cb 0.67 0.35 0.02 0.00 -1.09 0.00 0.00 36.82 36.77 1bal h ILE 16 CO 0.00 0.00 -1.41 0.03 -1.08 0.00 0.00 178.15 175.69 1bal h ARG 17 N 0.00 0.39 -0.84 2.19 3.08 -1.80 -3.25 114.38 114.16 1bal h ARG 17 Ca 0.22 -0.67 -0.07 0.00 0.07 0.00 0.00 59.98 59.53 1bal h ARG 17 Cb 1.71 0.25 -0.04 0.00 0.08 0.00 0.00 29.97 31.97 1bal h ARG 17 CO -0.00 1.31 0.08 0.54 -1.07 0.00 0.00 179.97 180.83 1bal n ARG 18 N -3.60 2.67 -0.13 0.04 1.74 0.27 -4.10 116.66 113.55 1bal n ARG 18 Ca -0.14 -1.60 -0.28 0.00 -0.77 0.00 0.00 57.85 55.06 1bal n ARG 18 Cb 1.06 -1.82 -0.10 0.00 -1.02 0.00 0.00 32.46 30.58 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 1.95 0.28 0.55 7.94 -0.84 -3.83 117.00 123.21 1bal n LEU 19 Ca 0.18 0.35 0.15 0.00 -1.11 0.00 0.00 56.01 55.58 1bal n LEU 19 Cb 0.83 -0.83 0.78 0.00 0.53 0.00 0.00 43.42 44.73 1bal n LEU 19 CO 0.20 0.50 1.00 -0.07 -1.11 0.00 0.00 177.39 177.92 1bal h LEU 20 N -1.00 0.00 -0.57 -1.96 3.38 -1.73 -0.92 115.31 112.51 1bal h LEU 20 Ca -0.64 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1bal h LEU 20 Cb 1.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1bal h LEU 20 CO -0.39 0.09 -0.21 0.00 0.09 0.00 0.00 178.44 178.02 1bal n ALA 21 N -2.21 2.98 -0.08 1.53 0.00 -1.26 -1.57 120.51 119.90 1bal n ALA 21 Ca -0.01 -0.41 -0.22 0.00 0.00 0.00 0.00 53.44 52.80 1bal n ALA 21 Cb 0.24 -1.14 -0.12 0.00 0.00 0.00 0.00 19.45 18.42 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 -0.51 0.67 0.00 0.00 0.00 -0.38 -4.43 120.64 115.98 1bal n GLU 22 Ca 0.13 0.27 0.09 0.00 0.00 0.00 0.00 57.16 57.66 1bal n GLU 22 Cb 0.35 -1.62 -0.01 0.00 0.00 0.00 0.00 31.44 30.16 1bal n GLU 22 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1bal n HIS 23 N -3.67 0.00 -3.65 4.31 -0.00 -1.03 -5.00 115.22 106.17 1bal n HIS 23 Ca -0.40 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.02 1bal n HIS 23 Cb 0.95 0.00 0.04 0.00 -0.00 0.00 0.00 29.99 30.98 1bal n HIS 23 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 1bal n ASN 24 N -0.13 -5.46 -4.84 0.41 2.85 -0.61 -4.94 115.26 102.55 1bal n ASN 24 Ca 0.07 -0.96 -0.36 0.00 -0.11 0.00 0.00 54.58 53.22 1bal n ASN 24 Cb 0.38 -3.37 -0.06 0.00 1.24 0.00 0.00 39.78 37.98 1bal n ASN 24 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1bal s LEU 25 N -6.23 4.40 -0.85 1.20 1.43 -1.23 -5.02 118.68 112.38 1bal s LEU 25 Ca 0.42 1.09 -0.17 0.00 -1.03 0.00 0.00 54.13 54.43 1bal s LEU 25 Cb -0.15 -3.07 0.15 0.00 0.03 0.00 0.00 46.19 43.15 1bal s LEU 25 CO 0.86 0.18 0.96 1.51 0.23 0.00 0.00 176.35 180.09 1bal s ASP 26 N -1.49 6.61 0.64 2.29 -4.77 -1.26 -4.86 116.67 113.83 1bal s ASP 26 Ca 0.33 -2.16 0.21 0.00 -3.30 0.00 0.00 52.55 47.64 1bal s ASP 26 Cb -0.16 -2.33 1.01 0.00 -1.09 0.00 0.00 42.92 40.35 1bal s ASP 26 CO 0.18 -0.92 1.54 0.00 0.70 0.00 0.00 175.17 176.67 1bal h ALA 27 N 8.56 2.04 -1.00 2.11 0.00 -1.95 0.18 119.26 129.19 1bal h ALA 27 Ca 0.08 -0.01 0.24 0.00 0.00 0.00 0.00 54.91 55.22 1bal h ALA 27 Cb 1.04 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 1bal h ALA 27 CO 1.00 -0.89 0.65 0.77 0.00 0.00 0.00 179.25 180.77 1bal h SER 28 N 0.00 0.44 1.52 0.00 0.02 -2.04 0.68 113.55 114.17 1bal h SER 28 Ca 0.15 0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 61.07 1bal h SER 28 Cb 1.61 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 64.13 1bal h SER 28 CO -0.00 0.12 -0.44 0.00 -1.14 0.00 0.00 176.83 175.37 1bal h ALA 29 N 1.61 0.72 -1.91 3.77 0.00 -1.05 -3.41 119.26 118.99 1bal h ALA 29 Ca 0.55 -0.40 -0.65 0.00 0.00 0.00 0.00 54.91 54.41 1bal h ALA 29 Cb 1.38 -0.07 -0.15 0.00 0.00 0.00 0.00 17.79 18.95 1bal h ALA 29 CO -0.25 0.55 0.32 0.42 0.00 0.00 0.00 179.25 180.28 1bal s ILE 30 N -3.01 4.61 -0.89 0.00 -1.09 0.24 -4.98 121.20 116.07 1bal s ILE 30 Ca 0.04 -0.23 -0.25 0.00 -2.23 0.00 0.00 60.65 57.99 1bal s ILE 30 Cb 0.07 -4.46 0.03 0.00 -1.58 0.00 0.00 42.46 36.53 1bal s ILE 30 CO 0.73 -1.04 1.42 -0.54 -1.23 0.00 0.00 174.94 174.28 1bal s LYS 31 N 3.33 3.35 -0.28 2.79 1.02 -1.26 -4.90 119.74 123.78 1bal s LYS 31 Ca 0.21 -0.67 -0.42 0.00 0.02 0.00 0.00 55.97 55.12 1bal s LYS 31 Cb -0.17 -4.84 -0.17 0.00 -0.52 0.00 0.00 37.83 32.13 1bal s LYS 31 CO 0.14 -2.26 1.63 0.41 -0.92 0.00 0.00 175.35 174.34 1bal n GLY 32 N 6.25 0.58 0.00 -3.33 0.00 -1.26 -4.81 105.19 102.63 1bal n GLY 32 Ca 0.21 0.92 0.11 0.00 0.00 0.00 0.00 46.02 47.26 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 4.05 0.02 -0.82 2.61 -2.24 -1.26 -4.11 114.28 112.52 1bal n THR 33 Ca 0.26 -0.03 -0.35 0.00 -2.27 0.00 0.00 64.05 61.66 1bal n THR 33 Cb 0.08 0.61 0.11 0.00 -2.10 0.00 0.00 70.33 69.03 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 -2.74 3.55 3.38 0.00 -1.14 -4.62 105.19 105.11 1bal n GLY 34 Ca 0.04 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.12 3.15 0.00 1.61 1.01 -1.26 -2.53 120.40 120.26 1bal s VAL 35 Ca 0.46 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1bal s VAL 35 Cb -0.01 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.99 1bal s VAL 35 CO 0.66 -0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1bal n GLY 36 N 6.05 0.60 3.95 4.51 0.00 -1.26 -4.32 105.19 114.72 1bal n GLY 36 Ca 0.33 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.53 -0.28 3.54 -0.02 0.00 -1.05 -4.89 105.19 101.97 1bal n GLY 37 Ca 0.00 0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 -6.53 3.45 -0.60 1.61 0.52 -1.21 -4.80 118.95 111.38 1bal s ARG 38 Ca 0.16 -0.11 -0.28 0.00 -0.52 0.00 0.00 55.73 54.98 1bal s ARG 38 Cb -0.08 -3.91 0.03 0.00 0.52 0.00 0.00 34.95 31.51 1bal s ARG 38 CO 0.88 -1.00 1.25 -1.17 0.02 0.00 0.00 175.30 175.29 1bal s LEU 39 N 3.04 3.39 0.00 2.53 2.96 -1.26 -2.90 118.68 126.45 1bal s LEU 39 Ca 0.27 0.06 0.00 0.00 -0.22 0.00 0.00 54.13 54.24 1bal s LEU 39 Cb -0.13 -3.05 0.00 0.00 0.50 0.00 0.00 46.19 43.51 1bal s LEU 39 CO 0.20 -1.59 0.00 0.35 -1.32 0.00 0.00 176.35 173.99 1bal n THR 40 N 6.67 0.00 -0.05 3.68 -2.24 -1.26 -5.03 114.28 116.04 1bal n THR 40 Ca 0.08 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.81 1bal n THR 40 Cb 0.49 -1.23 -0.14 0.00 -2.10 0.00 0.00 70.33 67.35 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 -0.58 0.66 0.00 -0.78 0.63 -1.26 -4.07 116.66 111.26 1bal n ARG 41 Ca 0.00 0.09 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 1bal n ARG 41 Cb 0.00 -1.64 0.00 0.00 0.45 0.00 0.00 32.46 31.27 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 -2.80 0.88 0.00 -0.14 2.13 -1.26 -2.31 120.64 117.13 1bal n GLU 42 Ca -0.22 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.60 1bal n GLU 42 Cb 1.02 -1.30 0.00 0.00 0.27 0.00 0.00 31.44 31.42 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 0.24 2.05 -0.05 4.31 8.00 -1.26 -4.72 116.55 125.12 1bal n ASP 43 Ca 0.00 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.28 1bal n ASP 43 Cb 0.30 0.04 -0.13 0.00 -0.02 0.00 0.00 41.12 41.31 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 0.84 -0.00 2.53 2.07 -1.69 -3.34 116.25 116.66 1bal h VAL 44 Ca 0.00 -2.27 0.00 0.00 0.82 0.00 0.00 66.70 65.26 1bal h VAL 44 Cb 0.49 2.40 -0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1bal h VAL 44 CO 0.00 0.57 0.01 1.05 0.02 0.00 0.00 177.57 179.22 1bal h GLU 45 N -0.55 0.00 -0.13 1.57 -0.00 -1.78 0.25 114.58 113.95 1bal h GLU 45 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.00 1bal h GLU 45 Cb 1.61 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.36 1bal h GLU 45 CO -0.07 0.00 0.00 1.63 -0.00 0.00 0.00 179.01 180.57 1bal n LYS 46 N -3.31 1.73 -0.09 1.06 5.02 -1.25 -3.87 118.16 117.45 1bal n LYS 46 Ca -0.03 -1.09 -0.13 0.00 -2.02 0.00 0.00 58.31 55.04 1bal n LYS 46 Cb 0.09 -1.42 -0.14 0.00 -0.02 0.00 0.00 35.03 33.53 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 0.31 0.27 -1.51 2.13 -0.00 0.86 -4.85 115.22 112.43 1bal n HIS 47 Ca 0.17 0.08 -0.26 0.00 0.46 0.00 0.00 57.72 58.17 1bal n HIS 47 Cb 0.34 -1.04 -0.17 0.00 -0.12 0.00 0.00 29.99 29.00 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 -3.00 -0.33 0.00 0.27 4.77 -1.19 -4.81 117.00 112.71 1bal n LEU 48 Ca -0.34 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 1bal n LEU 48 Cb 1.09 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1bal n LEU 48 CO 0.39 -1.46 0.00 0.00 -1.33 0.00 0.00 177.39 174.99 1bal n ALA 49 N 9.32 0.00 0.15 -1.18 0.00 -1.26 -4.99 120.51 122.55 1bal n ALA 49 Ca 0.62 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.93 1bal n ALA 49 Cb 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.55 1bal n ALA 49 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1bal h LYS 50 N 0.00 -0.38 0.00 0.00 3.64 -2.03 -3.55 116.57 114.25 1bal h LYS 50 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1bal h LYS 50 Cb 0.00 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1bal h LYS 50 CO 0.00 -0.05 0.00 0.00 -2.27 0.00 0.00 179.45 177.13