#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1boe n LEU 14 N 0.00 -1.52 0.00 0.00 4.77 -1.26 -4.40 117.00 114.59 1boe n LEU 14 Ca 0.00 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 1boe n LEU 14 Cb 0.00 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 1boe n LEU 14 CO 0.00 -3.57 0.00 0.00 -1.33 0.00 0.00 177.39 172.49 1boe n ALA 15 N -4.92 0.00 -2.70 -1.18 0.00 -1.26 -1.69 120.51 108.76 1boe n ALA 15 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.11 1boe n ALA 15 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 1boe n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1boe s GLU 16 N 0.93 4.29 0.00 0.00 -6.30 -1.26 -3.86 118.70 112.50 1boe s GLU 16 Ca 0.00 0.47 0.00 0.00 -2.50 0.00 0.00 54.97 52.94 1boe s GLU 16 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 34.13 30.64 1boe s GLU 16 CO 0.00 0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.71 1boe n GLY 17 N 3.51 0.18 3.66 -1.50 0.00 -0.88 -4.98 105.19 105.18 1boe n GLY 17 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 1boe n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1boe s GLN 18 N -0.94 4.23 -0.01 1.61 -0.44 -1.25 -4.78 119.66 118.09 1boe s GLN 18 Ca 0.00 1.68 -0.34 0.00 -2.50 0.00 0.00 55.36 54.20 1boe s GLN 18 Cb 0.00 -3.77 -0.12 0.00 -1.64 0.00 0.00 33.01 27.48 1boe s GLN 18 CO 0.00 -0.70 1.78 0.43 0.50 0.00 0.00 175.29 177.30 1boe n SER 19 N 6.58 3.34 0.00 6.67 7.64 -1.26 -3.53 113.62 133.07 1boe n SER 19 Ca 0.14 1.01 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1boe n SER 19 Cb 0.45 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 1boe n SER 19 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1boe s GLY 21 N 0.00 -0.00 0.65 0.00 0.00 -1.26 0.13 107.32 106.83 1boe s GLY 21 Ca 0.00 2.73 0.31 0.00 0.00 0.00 0.00 44.72 47.76 1boe s GLY 21 CO 0.00 1.45 1.96 -0.39 0.00 0.00 0.00 173.10 176.12 1boe h VAL 22 N 2.79 0.11 -0.57 1.40 -1.51 0.26 2.05 116.25 120.79 1boe h VAL 22 Ca -0.20 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 1boe h VAL 22 Cb 1.18 0.70 0.00 0.00 -2.13 0.00 0.00 31.29 31.04 1boe h VAL 22 CO 0.21 0.00 0.00 -1.22 -1.23 0.00 0.00 177.57 175.33 1boe n TYR 23 N -3.14 0.76 0.00 5.19 4.02 -1.09 -4.85 117.16 118.05 1boe n TYR 23 Ca 0.00 -0.38 0.00 0.00 -0.01 0.00 0.00 57.90 57.51 1boe n TYR 23 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.73 1boe n TYR 23 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1boe n THR 24 N 1.20 0.00 -2.43 -0.72 -1.04 0.70 -4.98 114.28 107.00 1boe n THR 24 Ca 0.19 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.07 1boe n THR 24 Cb 0.49 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 69.07 1boe n THR 24 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1boe n GLU 25 N 0.00 0.18 -3.54 -2.82 -0.58 -1.26 -4.96 120.64 107.67 1boe n GLU 25 Ca 0.00 -1.54 -0.40 0.00 -0.42 0.00 0.00 57.16 54.80 1boe n GLU 25 Cb 0.00 -0.39 -0.05 0.00 -0.57 0.00 0.00 31.44 30.43 1boe n GLU 25 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1boe s ARG 26 N -3.95 3.33 1.01 3.49 3.52 -1.26 -4.85 118.95 120.24 1boe s ARG 26 Ca 0.38 -2.90 -0.22 0.00 -0.13 0.00 0.00 55.73 52.86 1boe s ARG 26 Cb -0.02 -4.10 -0.12 0.00 -1.56 0.00 0.00 34.95 29.14 1boe s ARG 26 CO 0.25 -1.24 -0.91 0.00 -0.81 0.00 0.00 175.30 172.59 1boe n ALA 28 N -3.29 -1.85 -0.37 0.00 0.00 -0.68 -4.51 120.51 109.80 1boe n ALA 28 Ca -0.01 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1boe n ALA 28 Cb 0.65 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.37 1boe n ALA 28 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1boe n GLN 29 N 0.54 0.00 -0.10 0.00 7.27 -1.26 0.28 117.38 124.11 1boe n GLN 29 Ca 0.08 0.47 0.27 0.00 0.07 0.00 0.00 57.00 57.89 1boe n GLN 29 Cb 0.08 -0.79 0.67 0.00 2.41 0.00 0.00 30.24 32.60 1boe n GLN 29 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 1boe h GLY 30 N 0.00 0.00 -1.91 1.69 0.00 -1.99 -3.40 103.07 97.47 1boe h GLY 30 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 1boe h GLY 30 CO 0.00 0.00 0.23 1.08 0.00 0.00 0.00 176.54 177.85 1boe s LEU 31 N -7.36 3.56 -0.01 3.11 1.43 0.81 -0.40 118.68 119.83 1boe s LEU 31 Ca -0.04 1.20 -0.22 0.00 -1.03 0.00 0.00 54.13 54.04 1boe s LEU 31 Cb 0.17 -4.16 0.05 0.00 0.03 0.00 0.00 46.19 42.27 1boe s LEU 31 CO 0.59 -0.62 0.49 -0.13 0.23 0.00 0.00 176.35 176.90 1boe s ARG 32 N -4.56 0.90 -0.05 1.70 1.81 -1.17 -4.50 118.95 113.08 1boe s ARG 32 Ca 0.52 -0.08 -0.30 0.00 -1.72 0.00 0.00 55.73 54.15 1boe s ARG 32 Cb -0.10 0.41 -0.05 0.00 -0.45 0.00 0.00 34.95 34.76 1boe s ARG 32 CO 0.42 -0.29 1.47 0.00 -0.68 0.00 0.00 175.30 176.23 1boe s LEU 34 N 3.20 2.36 -0.71 0.00 2.01 0.14 -4.64 118.68 121.03 1boe s LEU 34 Ca 0.66 -0.73 -0.27 0.00 0.01 0.00 0.00 54.13 53.79 1boe s LEU 34 Cb -0.30 -0.02 0.03 0.00 0.01 0.00 0.00 46.19 45.90 1boe s LEU 34 CO 0.25 -0.36 1.30 -2.16 1.01 0.00 0.00 176.35 176.39 1boe s PRO 35 N -2.52 3.21 -0.87 1.29 0.04 -1.26 0.11 135.00 135.00 1boe s PRO 35 Ca -0.03 -0.12 0.01 0.00 0.04 0.00 0.00 61.00 60.90 1boe s PRO 35 Cb -0.03 -4.16 0.33 0.00 0.04 0.00 0.00 34.50 30.67 1boe s PRO 35 CO -0.03 -2.11 1.49 0.54 0.04 0.00 0.00 177.00 176.94 1boe n ARG 36 N 9.23 4.61 -3.14 4.56 5.12 -1.26 -4.80 116.66 130.98 1boe n ARG 36 Ca 0.05 -4.74 -0.22 0.00 -1.93 0.00 0.00 57.85 51.01 1boe n ARG 36 Cb 0.49 -2.39 -0.05 0.00 -1.16 0.00 0.00 32.46 29.35 1boe n ARG 36 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1boe n GLN 37 N -0.07 0.72 -0.11 5.56 6.02 -1.26 -4.92 117.38 123.33 1boe n GLN 37 Ca 0.40 -3.04 0.02 0.00 -0.01 0.00 0.00 57.00 54.38 1boe n GLN 37 Cb 0.31 -1.25 0.07 0.00 1.02 0.00 0.00 30.24 30.39 1boe n GLN 37 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1boe n ASP 38 N 1.42 1.14 -0.32 1.08 8.00 -1.26 -3.27 116.55 123.34 1boe n ASP 38 Ca 0.20 -2.05 0.04 0.00 0.71 0.00 0.00 54.79 53.68 1boe n ASP 38 Cb 0.54 -0.22 0.10 0.00 -0.02 0.00 0.00 41.12 41.52 1boe n ASP 38 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1boe n GLU 39 N -0.00 2.72 0.00 -1.24 2.13 -1.26 -4.97 120.64 118.02 1boe n GLU 39 Ca 0.05 -1.97 0.00 0.00 0.66 0.00 0.00 57.16 55.90 1boe n GLU 39 Cb 0.22 -1.25 0.00 0.00 0.27 0.00 0.00 31.44 30.68 1boe n GLU 39 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1boe n GLU 40 N -0.29 0.00 -3.54 5.31 4.07 -1.20 -5.08 120.64 119.91 1boe n GLU 40 Ca 0.08 0.00 -0.28 0.00 -0.06 0.00 0.00 57.16 56.91 1boe n GLU 40 Cb 0.43 0.00 -0.11 0.00 -0.06 0.00 0.00 31.44 31.70 1boe n GLU 40 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1boe s LYS 41 N 1.44 1.24 1.00 5.31 2.20 -1.26 -5.11 119.74 124.56 1boe s LYS 41 Ca 0.00 -2.29 -0.17 0.00 -0.36 0.00 0.00 55.97 53.15 1boe s LYS 41 Cb 0.00 -1.92 0.24 0.00 -1.51 0.00 0.00 37.83 34.64 1boe s LYS 41 CO 0.00 -1.33 1.19 -0.35 -0.36 0.00 0.00 175.35 174.50 1boe n PRO 42 N 2.83 -1.82 -1.23 4.03 -0.04 -1.20 -3.92 135.00 133.64 1boe n PRO 42 Ca 0.24 -1.85 -0.08 0.00 -0.04 0.00 0.00 63.50 61.77 1boe n PRO 42 Cb 0.43 -1.38 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 1boe n PRO 42 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1boe n LEU 43 N 0.00 -0.06 -1.81 1.53 4.77 -1.26 -4.63 117.00 115.53 1boe n LEU 43 Ca 0.15 0.20 -0.04 0.00 -0.03 0.00 0.00 56.01 56.29 1boe n LEU 43 Cb 0.55 -2.46 0.03 0.00 -2.33 0.00 0.00 43.42 39.21 1boe n LEU 43 CO 0.39 -0.95 0.47 1.57 -1.33 0.00 0.00 177.39 177.54 1boe n HIS 44 N -2.24 -1.00 0.01 -1.77 -0.00 -1.25 -4.98 115.22 103.98 1boe n HIS 44 Ca -0.08 -1.03 0.00 0.00 0.46 0.00 0.00 57.72 57.07 1boe n HIS 44 Cb 0.53 1.01 0.00 0.00 -0.12 0.00 0.00 29.99 31.40 1boe n HIS 44 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1boe n ALA 45 N -0.75 3.00 0.99 1.57 0.00 -1.26 -4.81 120.51 119.25 1boe n ALA 45 Ca -0.20 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.30 1boe n ALA 45 Cb 0.75 0.03 0.33 0.00 0.00 0.00 0.00 19.45 20.57 1boe n ALA 45 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1boe n LEU 46 N -2.59 0.00 -0.03 0.00 -0.00 -1.26 0.56 117.00 113.69 1boe n LEU 46 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.99 1boe n LEU 46 Cb 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.44 1boe n LEU 46 CO 0.00 0.00 -0.16 0.18 -0.00 0.00 0.00 177.39 177.41 1boe n LEU 47 N -0.85 0.71 -0.28 1.47 4.77 -1.26 0.22 117.00 121.78 1boe n LEU 47 Ca 0.08 0.34 -0.05 0.00 -0.03 0.00 0.00 56.01 56.35 1boe n LEU 47 Cb 0.04 -0.63 0.06 0.00 -2.33 0.00 0.00 43.42 40.56 1boe n LEU 47 CO 0.06 -0.47 1.18 0.45 -1.33 0.00 0.00 177.39 177.28 1boe h HIS 48 N -0.39 0.97 0.00 -1.77 3.86 -1.90 -2.89 115.15 113.04 1boe h HIS 48 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1boe h HIS 48 Cb 0.24 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.38 1boe h HIS 48 CO -0.10 0.63 0.00 0.41 0.86 0.00 0.00 177.93 179.73 1boe n GLY 49 N -1.26 -0.56 0.97 2.45 0.00 -1.12 -4.68 105.19 100.99 1boe n GLY 49 Ca 0.07 0.05 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 1boe n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1boe n ARG 50 N 0.00 0.00 0.00 1.61 1.74 0.25 -4.67 116.66 115.59 1boe n ARG 50 Ca 0.00 -1.09 0.00 0.00 -0.77 0.00 0.00 57.85 55.99 1boe n ARG 50 Cb 0.00 0.11 0.00 0.00 -1.02 0.00 0.00 32.46 31.55 1boe n ARG 50 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1boe n GLY 51 N 0.14 2.23 2.87 -0.13 0.00 0.34 -4.22 105.19 106.42 1boe n GLY 51 Ca -0.08 -2.02 -0.12 0.00 0.00 0.00 0.00 46.02 43.80 1boe n GLY 51 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1boe s VAL 52 N 2.11 0.00 -0.48 1.61 -7.23 0.30 -0.74 120.40 115.97 1boe s VAL 52 Ca 0.00 0.01 -0.25 0.00 -1.81 0.00 0.00 61.98 59.93 1boe s VAL 52 Cb 0.00 -0.02 0.03 0.00 0.56 0.00 0.00 36.38 36.95 1boe s VAL 52 CO 0.00 0.01 0.90 0.00 -0.31 0.00 0.00 175.10 175.69 1boe s LEU 54 N 3.70 3.51 0.35 0.00 2.96 -0.93 -2.08 118.68 126.19 1boe s LEU 54 Ca 0.34 -0.34 -0.24 0.00 -0.22 0.00 0.00 54.13 53.67 1boe s LEU 54 Cb -0.11 -2.11 -0.15 0.00 0.50 0.00 0.00 46.19 44.32 1boe s LEU 54 CO 0.24 0.05 0.45 -0.46 -1.32 0.00 0.00 176.35 175.30 1boe n ASN 55 N -0.48 -1.35 -1.95 3.68 6.94 -1.26 -3.04 115.26 117.80 1boe n ASN 55 Ca -0.08 0.96 -0.15 0.00 -0.02 0.00 0.00 54.58 55.28 1boe n ASN 55 Cb 0.56 -1.02 -0.01 0.00 -2.36 0.00 0.00 39.78 36.95 1boe n ASN 55 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 1boe n GLU 56 N 0.93 1.80 0.00 -3.83 -0.00 0.47 -4.32 120.64 115.68 1boe n GLU 56 Ca 0.13 -1.39 0.00 0.00 -0.00 0.00 0.00 57.16 55.90 1boe n GLU 56 Cb 0.35 -1.65 0.00 0.00 -0.00 0.00 0.00 31.44 30.14 1boe n GLU 56 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1boe n LYS 57 N 0.86 0.00 0.00 3.44 4.76 -1.26 -5.04 118.16 120.92 1boe n LYS 57 Ca 0.30 0.09 0.03 0.00 -2.87 0.00 0.00 58.31 55.85 1boe n LYS 57 Cb 0.59 -0.59 0.18 0.00 -1.84 0.00 0.00 35.03 33.38 1boe n LYS 57 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46