#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 -1.30 0.00 2.98 0.00 -1.26 -5.11 121.76 117.07 1bal s ALA 2 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1bal s ALA 2 Cb 0.00 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.99 1bal s ALA 2 CO 0.00 -0.92 0.00 0.45 0.00 0.00 0.00 175.76 175.29 1bal n SER 3 N -0.42 0.00 0.00 0.00 2.88 -1.26 -5.04 113.62 109.78 1bal n SER 3 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1bal n SER 3 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1bal n SER 3 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1bal n LEU 4 N 0.00 0.18 -0.06 2.46 4.77 -1.26 -4.85 117.00 118.23 1bal n LEU 4 Ca 0.00 -0.18 -0.06 0.00 -0.03 0.00 0.00 56.01 55.74 1bal n LEU 4 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1bal n LEU 4 CO 0.00 0.05 -0.48 -0.62 -1.33 0.00 0.00 177.39 175.00 1bal n GLU 5 N -0.01 0.38 -0.29 3.23 1.02 -1.26 -4.44 120.64 119.26 1bal n GLU 5 Ca 0.00 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1bal n GLU 5 Cb 0.26 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 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 -3.89 0.76 0.00 3.49 2.13 -1.26 -4.69 120.64 117.18 1bal n GLU 6 Ca -0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.72 1bal n GLU 6 Cb 0.37 -1.12 0.00 0.00 0.27 0.00 0.00 31.44 30.96 1bal n GLU 6 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1bal n GLN 7 N 1.37 0.00 0.00 5.31 7.27 -1.26 -4.91 117.38 125.17 1bal n GLN 7 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1bal n GLN 7 Cb 0.38 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.03 1bal n GLN 7 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1bal n ASN 8 N 0.00 0.00 -3.42 1.69 5.03 -1.26 -4.93 115.26 112.37 1bal n ASN 8 Ca 0.00 0.00 -0.11 0.00 0.87 0.00 0.00 54.58 55.34 1bal n ASN 8 Cb 0.00 0.00 0.05 0.00 -1.02 0.00 0.00 39.78 38.81 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 0.00 0.87 -0.79 6.41 5.15 -1.26 -5.13 115.26 120.51 1bal n ASN 9 Ca 0.00 -1.68 0.00 0.00 -0.60 0.00 0.00 54.58 52.30 1bal n ASN 9 Cb 0.00 -0.29 0.00 0.00 -0.53 0.00 0.00 39.78 38.96 1bal n ASN 9 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1bal n ASP 10 N -2.83 0.00 0.00 1.20 2.03 -1.26 -4.93 116.55 110.76 1bal n ASP 10 Ca 0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.40 1bal n ASP 10 Cb 0.31 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 1bal n ASP 10 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bal n ALA 11 N -3.00 0.00 -1.00 -1.67 0.00 -1.26 -5.13 120.51 108.45 1bal n ALA 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1bal n ALA 11 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.34 0.00 -3.60 0.00 4.77 -1.26 -5.08 117.00 111.49 1bal n LEU 12 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.77 1bal n LEU 12 Cb 0.00 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 40.93 1bal n LEU 12 CO 0.00 -0.49 -0.28 -0.44 -1.33 0.00 0.00 177.39 174.85 1bal s SER 13 N -1.27 1.57 0.04 -1.43 0.01 -1.26 -5.00 113.70 106.36 1bal s SER 13 Ca 0.00 -0.20 0.04 0.00 1.31 0.00 0.00 55.95 57.10 1bal s SER 13 Cb 0.00 0.04 0.19 0.00 0.21 0.00 0.00 66.02 66.46 1bal s SER 13 CO 0.00 -0.31 1.12 -2.65 0.41 0.00 0.00 173.24 171.81 1bal n PRO 14 N 5.30 0.02 0.00 12.44 -0.02 -1.26 -0.21 135.00 151.27 1bal n PRO 14 Ca -0.05 0.50 0.11 0.00 -2.02 0.00 0.00 63.50 62.03 1bal n PRO 14 Cb 0.49 -1.55 0.06 0.00 -0.02 0.00 0.00 33.50 32.48 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 -1.53 3.65 0.15 3.55 0.00 -1.26 -4.32 120.51 120.75 1bal n ALA 15 Ca 0.00 -0.59 0.15 0.00 0.00 0.00 0.00 53.44 53.00 1bal n ALA 15 Cb 0.02 -0.86 0.45 0.00 0.00 0.00 0.00 19.45 19.06 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 1.79 0.07 0.10 0.00 2.10 -1.01 1.57 117.51 122.13 1bal h ILE 16 Ca 0.00 0.00 -0.19 0.00 1.08 0.00 0.00 64.86 65.75 1bal h ILE 16 Cb 0.67 0.28 0.01 0.00 -1.09 0.00 0.00 36.82 36.69 1bal h ILE 16 CO 0.00 0.00 -0.93 0.03 -1.08 0.00 0.00 178.15 176.17 1bal h ARG 17 N 0.00 0.21 -0.13 2.19 3.08 -1.80 -3.33 114.38 114.61 1bal h ARG 17 Ca 0.16 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1bal h ARG 17 Cb 1.74 0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.93 1bal h ARG 17 CO -0.00 1.17 0.00 0.54 -1.07 0.00 0.00 179.97 180.61 1bal n ARG 18 N -4.15 1.92 -0.13 0.04 1.74 0.16 -4.10 116.66 112.13 1bal n ARG 18 Ca -0.18 -1.36 -0.05 0.00 -0.77 0.00 0.00 57.85 55.48 1bal n ARG 18 Cb 0.79 -1.45 0.13 0.00 -1.02 0.00 0.00 32.46 30.91 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 2.99 0.82 -0.98 0.55 5.85 0.18 0.86 115.31 125.59 1bal h LEU 19 Ca 0.00 -0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.43 1bal h LEU 19 Cb 0.65 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1bal h LEU 19 CO 0.00 0.88 -0.44 -0.07 -0.34 0.00 0.00 178.44 178.47 1bal h LEU 20 N 0.80 0.00 0.00 2.25 3.38 -1.77 -2.86 115.31 117.10 1bal h LEU 20 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1bal h LEU 20 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1bal h LEU 20 CO 0.02 0.44 -1.17 0.00 0.09 0.00 0.00 178.44 177.82 1bal n ALA 21 N -2.37 3.17 -0.02 1.53 0.00 -0.89 -1.50 120.51 120.44 1bal n ALA 21 Ca -0.01 -0.39 -0.16 0.00 0.00 0.00 0.00 53.44 52.87 1bal n ALA 21 Cb 0.51 -0.96 -0.09 0.00 0.00 0.00 0.00 19.45 18.91 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 0.00 0.48 -0.65 0.00 4.81 0.95 -3.19 114.58 116.97 1bal h GLU 22 Ca 0.00 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1bal h GLU 22 Cb 0.82 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.29 1bal h GLU 22 CO 0.00 1.06 0.00 0.72 -0.73 0.00 0.00 179.01 180.06 1bal n HIS 23 N -4.24 1.27 -3.20 0.92 8.25 -1.10 -4.99 115.22 112.13 1bal n HIS 23 Ca -0.09 -0.52 -0.19 0.00 -0.26 0.00 0.00 57.72 56.66 1bal n HIS 23 Cb 0.61 -0.18 0.02 0.00 1.12 0.00 0.00 29.99 31.56 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 1.09 -6.59 -4.40 0.41 5.03 -1.21 -4.99 115.26 104.60 1bal n ASN 24 Ca 0.23 0.31 -0.25 0.00 0.87 0.00 0.00 54.58 55.74 1bal n ASN 24 Cb 0.77 -2.91 -0.12 0.00 -1.02 0.00 0.00 39.78 36.50 1bal n ASN 24 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1bal s LEU 25 N -2.07 2.44 -1.02 3.41 1.43 -0.56 -5.03 118.68 117.28 1bal s LEU 25 Ca 0.22 -0.87 -0.12 0.00 -1.03 0.00 0.00 54.13 52.33 1bal s LEU 25 Cb -0.03 -1.07 0.24 0.00 0.03 0.00 0.00 46.19 45.35 1bal s LEU 25 CO 0.65 0.08 1.04 -1.81 0.23 0.00 0.00 176.35 176.53 1bal s ASP 26 N -2.70 7.06 0.31 2.29 1.01 -1.26 -4.86 116.67 118.52 1bal s ASP 26 Ca 0.20 -3.12 0.06 0.00 0.71 0.00 0.00 52.55 50.39 1bal s ASP 26 Cb -0.07 -2.25 0.72 0.00 1.01 0.00 0.00 42.92 42.33 1bal s ASP 26 CO 0.09 -0.49 1.82 0.00 0.21 0.00 0.00 175.17 176.80 1bal h ALA 27 N 7.24 1.69 0.00 5.23 0.00 -1.93 0.26 119.26 131.75 1bal h ALA 27 Ca 0.17 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1bal h ALA 27 Cb 0.94 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1bal h ALA 27 CO 0.96 0.01 0.37 -1.13 0.00 0.00 0.00 179.25 179.46 1bal n SER 28 N -4.66 0.20 -0.06 0.00 3.41 -1.26 0.67 113.62 111.92 1bal n SER 28 Ca 0.21 0.43 -0.14 0.00 -0.26 0.00 0.00 58.87 59.10 1bal n SER 28 Cb 0.49 -0.35 -0.14 0.00 -0.26 0.00 0.00 64.21 63.95 1bal n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bal n ALA 29 N -1.43 1.34 -2.34 7.33 0.00 0.91 -4.87 120.51 121.45 1bal n ALA 29 Ca -0.01 -0.96 -0.42 0.00 0.00 0.00 0.00 53.44 52.05 1bal n ALA 29 Cb 0.38 -0.44 -0.03 0.00 0.00 0.00 0.00 19.45 19.36 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 4.05 0.05 0.00 -1.09 0.21 -4.98 121.20 116.91 1bal s ILE 30 Ca -0.18 1.36 -0.30 0.00 -2.23 0.00 0.00 60.65 59.29 1bal s ILE 30 Cb 0.07 -3.87 -0.05 0.00 -1.58 0.00 0.00 42.46 37.03 1bal s ILE 30 CO 0.76 -0.05 1.12 -1.59 -1.23 0.00 0.00 174.94 173.95 1bal s LYS 31 N 2.85 4.48 -0.43 2.79 -2.85 -1.26 -4.97 119.74 120.34 1bal s LYS 31 Ca 0.59 1.65 -0.22 0.00 -1.00 0.00 0.00 55.97 56.99 1bal s LYS 31 Cb -0.26 -3.38 0.02 0.00 -2.06 0.00 0.00 37.83 32.15 1bal s LYS 31 CO 0.21 -0.17 0.75 0.20 0.10 0.00 0.00 175.35 176.44 1bal s GLY 32 N 0.99 1.63 0.00 0.59 0.00 -1.26 -4.87 107.32 104.41 1bal s GLY 32 Ca 0.56 -1.00 0.25 0.00 0.00 0.00 0.00 44.72 44.53 1bal s GLY 32 CO 0.29 1.72 1.41 -1.30 0.00 0.00 0.00 173.10 175.22 1bal n THR 33 N 6.02 0.00 -0.02 0.90 -2.24 -1.26 -4.08 114.28 113.60 1bal n THR 33 Ca 0.01 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1bal n THR 33 Cb 0.48 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 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 1.31 -3.57 3.58 3.38 0.00 -1.23 -4.82 105.19 103.85 1bal n GLY 34 Ca 0.14 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.71 3.93 -0.02 1.61 1.01 -1.26 -3.63 120.40 121.33 1bal s VAL 35 Ca 0.00 0.82 -0.00 0.00 0.00 0.00 0.00 61.98 62.80 1bal s VAL 35 Cb 0.00 -4.63 -0.00 0.00 0.00 0.00 0.00 36.38 31.75 1bal s VAL 35 CO 0.00 -1.29 0.02 0.61 0.00 0.00 0.00 175.10 174.44 1bal n GLY 36 N 5.13 0.55 3.97 4.51 0.00 -1.26 -3.78 105.19 114.31 1bal n GLY 36 Ca 0.10 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.14 -0.48 3.47 -0.02 0.00 -1.24 -4.86 105.19 100.92 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 -1.60 0.00 0.00 0.00 173.32 171.72 1bal s ARG 38 N -6.68 3.13 0.28 1.61 3.52 -1.25 -4.76 118.95 114.82 1bal s ARG 38 Ca 0.67 -0.70 -0.30 0.00 -0.13 0.00 0.00 55.73 55.27 1bal s ARG 38 Cb -0.35 -4.21 -0.11 0.00 -1.56 0.00 0.00 34.95 28.71 1bal s ARG 38 CO 0.82 -1.86 1.60 -1.17 -0.81 0.00 0.00 175.30 173.88 1bal s LEU 39 N 4.36 4.35 0.00 -0.88 2.96 -1.26 -3.50 118.68 124.71 1bal s LEU 39 Ca 0.25 2.93 0.00 0.00 -0.22 0.00 0.00 54.13 57.09 1bal s LEU 39 Cb -0.15 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 42.91 1bal s LEU 39 CO 0.11 -0.91 0.00 0.35 -1.32 0.00 0.00 176.35 174.58 1bal n THR 40 N 2.32 0.00 0.00 3.68 -2.24 -1.26 -5.03 114.28 111.75 1bal n THR 40 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1bal n THR 40 Cb 0.37 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 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 2.02 -0.06 -0.78 0.63 -1.26 -4.67 116.66 112.54 1bal n ARG 41 Ca 0.00 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1bal n ARG 41 Cb 0.00 -0.81 0.02 0.00 0.45 0.00 0.00 32.46 32.12 1bal n ARG 41 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1bal n GLU 42 N -1.07 1.16 0.00 -0.14 -0.58 -1.26 -3.18 120.64 115.58 1bal n GLU 42 Ca 0.00 -0.17 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 1bal n GLU 42 Cb 0.00 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 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 0.16 2.30 0.02 1.62 8.00 -1.26 -4.75 116.55 122.64 1bal n ASP 43 Ca 0.02 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.65 1bal n ASP 43 Cb 0.39 0.17 0.31 0.00 -0.02 0.00 0.00 41.12 41.97 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 -1.47 0.12 0.40 2.53 0.31 -1.21 -4.18 118.33 114.84 1bal n VAL 44 Ca 0.00 -0.09 -0.19 0.00 -0.01 0.00 0.00 64.34 64.05 1bal n VAL 44 Cb 0.24 -0.04 -0.10 0.00 -0.91 0.00 0.00 33.84 33.04 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 -1.11 0.00 5.55 4.81 -1.84 0.59 114.58 122.58 1bal h GLU 45 Ca 0.00 0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1bal h GLU 45 Cb 0.58 0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.21 1bal h GLU 45 CO 0.00 -0.74 0.00 1.63 -0.73 0.00 0.00 179.01 179.17 1bal n LYS 46 N -5.61 0.04 -0.13 1.92 5.02 -1.26 -2.24 118.16 115.89 1bal n LYS 46 Ca -0.14 0.08 -0.27 0.00 -2.02 0.00 0.00 58.31 55.96 1bal n LYS 46 Cb 0.49 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.91 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 -1.08 0.09 0.00 2.13 -0.00 -0.06 -4.77 115.22 111.52 1bal n HIS 47 Ca 0.01 0.04 0.00 0.00 0.46 0.00 0.00 57.72 58.23 1bal n HIS 47 Cb 0.01 -0.95 0.00 0.00 -0.12 0.00 0.00 29.99 28.93 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 -4.29 0.00 -4.27 0.27 4.77 0.00 -4.69 117.00 108.79 1bal n LEU 48 Ca -0.48 0.29 -0.29 0.00 -0.03 0.00 0.00 56.01 55.50 1bal n LEU 48 Cb 0.83 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 42.13 1bal n LEU 48 CO 0.06 0.00 -0.11 0.00 -1.33 0.00 0.00 177.39 176.01 1bal n ALA 49 N -1.65 -3.55 0.00 -1.18 0.00 -1.24 -4.96 120.51 107.93 1bal n ALA 49 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 53.44 52.10 1bal n ALA 49 Cb 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 19.45 17.92 1bal n ALA 49 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1bal n LYS 50 N -3.21 0.00 0.00 0.00 4.81 -1.26 -4.90 118.16 113.60 1bal n LYS 50 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1bal n LYS 50 Cb 0.56 -0.25 0.00 0.00 0.02 0.00 0.00 35.03 35.36 1bal n LYS 50 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57