#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 -1.29 0.00 0.00 4.32 -1.26 -4.33 117.00 114.43 1boe n LEU 14 Ca 0.00 -0.48 0.00 0.00 -0.02 0.00 0.00 56.01 55.51 1boe n LEU 14 Cb 0.00 -1.00 0.00 0.00 -1.62 0.00 0.00 43.42 40.80 1boe n LEU 14 CO 0.00 -3.75 0.00 0.00 -1.22 0.00 0.00 177.39 172.42 1boe n ALA 15 N -5.09 0.00 -3.02 -1.18 0.00 -1.26 -0.29 120.51 109.67 1boe n ALA 15 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.16 1boe n ALA 15 Cb 0.53 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.86 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 3.46 3.70 0.00 0.00 2.12 -1.26 -4.35 118.70 122.37 1boe s GLU 16 Ca 0.00 -0.48 0.00 0.00 0.36 0.00 0.00 54.97 54.85 1boe s GLU 16 Cb 0.00 -3.15 0.00 0.00 0.26 0.00 0.00 34.13 31.24 1boe s GLU 16 CO 0.00 0.03 0.00 0.41 -0.54 0.00 0.00 175.26 175.16 1boe n GLY 17 N 4.23 0.19 3.72 -1.50 0.00 -0.47 -4.98 105.19 106.38 1boe n GLY 17 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.96 4.44 0.06 1.61 -0.44 -1.26 -4.73 119.66 118.38 1boe s GLN 18 Ca 0.00 1.80 -0.30 0.00 -2.50 0.00 0.00 55.36 54.35 1boe s GLN 18 Cb 0.00 -3.32 -0.09 0.00 -1.64 0.00 0.00 33.01 27.96 1boe s GLN 18 CO 0.00 -0.23 1.86 -1.12 0.50 0.00 0.00 175.29 176.30 1boe s SER 19 N 0.89 6.47 0.00 6.67 0.01 -1.26 -3.21 113.70 123.28 1boe s SER 19 Ca 0.58 2.65 0.00 0.00 1.31 0.00 0.00 55.95 60.49 1boe s SER 19 Cb -0.30 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.38 1boe s SER 19 CO 0.30 -1.01 0.00 0.00 0.41 0.00 0.00 173.24 172.94 1boe s GLY 21 N 0.00 -0.27 0.66 0.00 0.00 -1.26 0.31 107.32 106.75 1boe s GLY 21 Ca 0.00 2.25 0.29 0.00 0.00 0.00 0.00 44.72 47.26 1boe s GLY 21 CO 0.00 1.46 1.91 -0.39 0.00 0.00 0.00 173.10 176.08 1boe h VAL 22 N 3.22 0.05 -0.63 1.40 -1.51 0.32 1.98 116.25 121.08 1boe h VAL 22 Ca -0.25 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.22 1boe h VAL 22 Cb 1.17 0.66 0.00 0.00 -2.13 0.00 0.00 31.29 30.98 1boe h VAL 22 CO 0.20 0.00 0.00 -1.22 -1.23 0.00 0.00 177.57 175.32 1boe n TYR 23 N -3.00 1.31 0.00 5.19 4.01 -1.15 -4.88 117.16 118.65 1boe n TYR 23 Ca -0.01 -0.54 0.00 0.00 -0.16 0.00 0.00 57.90 57.19 1boe n TYR 23 Cb 0.42 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 1boe n TYR 23 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1boe n THR 24 N 1.16 0.00 -2.69 -0.72 -1.04 0.67 -5.03 114.28 106.62 1boe n THR 24 Ca 0.24 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 62.06 1boe n THR 24 Cb 0.79 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 69.39 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 0.19 -3.34 -2.82 -0.58 -1.26 -4.97 120.64 107.86 1boe n GLU 25 Ca 0.00 -2.40 -0.47 0.00 -0.42 0.00 0.00 57.16 53.87 1boe n GLU 25 Cb 0.00 -0.46 -0.02 0.00 -0.57 0.00 0.00 31.44 30.39 1boe n GLU 25 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1boe s ARG 26 N -4.55 3.62 1.00 3.49 1.81 -1.26 -4.85 118.95 118.21 1boe s ARG 26 Ca 0.55 -2.52 -0.19 0.00 -1.72 0.00 0.00 55.73 51.85 1boe s ARG 26 Cb -0.03 -4.42 -0.15 0.00 -0.45 0.00 0.00 34.95 29.89 1boe s ARG 26 CO 0.36 -1.28 -0.92 0.00 -0.68 0.00 0.00 175.30 172.78 1boe n ALA 28 N -2.75 -1.77 -1.36 0.00 0.00 0.61 -4.36 120.51 110.87 1boe n ALA 28 Ca -0.02 0.23 -0.53 0.00 0.00 0.00 0.00 53.44 53.12 1boe n ALA 28 Cb 0.60 -0.70 -0.07 0.00 0.00 0.00 0.00 19.45 19.28 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 0.57 0.00 0.00 0.00 7.27 -1.26 0.14 117.38 124.10 1boe n GLN 29 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.15 1boe n GLN 29 Cb 0.04 -1.30 0.00 0.00 2.41 0.00 0.00 30.24 31.40 1boe n GLN 29 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1boe n GLY 30 N 1.97 3.08 3.86 1.69 0.00 -1.26 -5.03 105.19 109.50 1boe n GLY 30 Ca 0.20 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 1boe n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1boe s LEU 31 N 0.00 3.30 -0.01 0.99 1.43 0.36 -3.06 118.68 121.70 1boe s LEU 31 Ca 0.00 1.47 -0.20 0.00 -1.03 0.00 0.00 54.13 54.37 1boe s LEU 31 Cb 0.00 -4.48 0.04 0.00 0.03 0.00 0.00 46.19 41.78 1boe s LEU 31 CO 0.00 -0.85 0.42 -0.13 0.23 0.00 0.00 176.35 176.02 1boe s ARG 32 N -4.95 0.82 -0.26 1.70 3.00 -1.21 -4.47 118.95 113.58 1boe s ARG 32 Ca 0.56 -0.12 -0.29 0.00 0.00 0.00 0.00 55.73 55.89 1boe s ARG 32 Cb -0.11 0.37 -0.03 0.00 0.00 0.00 0.00 34.95 35.18 1boe s ARG 32 CO 0.50 -0.25 1.79 0.00 0.00 0.00 0.00 175.30 177.34 1boe s LEU 34 N 6.33 2.46 0.77 0.00 2.01 0.84 -4.58 118.68 126.51 1boe s LEU 34 Ca 0.80 -0.89 -0.11 0.00 0.01 0.00 0.00 54.13 53.93 1boe s LEU 34 Cb -0.25 -0.36 0.06 0.00 0.01 0.00 0.00 46.19 45.65 1boe s LEU 34 CO 0.33 -0.27 1.10 -2.16 1.01 0.00 0.00 176.35 176.35 1boe s PRO 35 N -3.17 2.28 -0.16 1.29 0.04 -1.26 -0.41 135.00 133.62 1boe s PRO 35 Ca 0.10 0.57 -0.02 0.00 0.04 0.00 0.00 61.00 61.69 1boe s PRO 35 Cb -0.01 -1.95 -0.23 0.00 0.04 0.00 0.00 34.50 32.35 1boe s PRO 35 CO 0.01 -1.47 0.21 0.54 0.04 0.00 0.00 177.00 176.33 1boe n ARG 36 N -3.32 0.72 -3.25 4.56 1.74 -1.26 -4.82 116.66 111.04 1boe n ARG 36 Ca 0.07 0.22 -0.16 0.00 -0.77 0.00 0.00 57.85 57.22 1boe n ARG 36 Cb 0.57 -1.66 0.07 0.00 -1.02 0.00 0.00 32.46 30.42 1boe n ARG 36 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1boe n GLN 37 N -3.37 -5.81 0.00 5.56 1.13 -1.26 -4.97 117.38 108.66 1boe n GLN 37 Ca -0.35 0.70 0.00 0.00 -1.94 0.00 0.00 57.00 55.41 1boe n GLN 37 Cb 1.04 -5.31 0.00 0.00 0.11 0.00 0.00 30.24 26.08 1boe n GLN 37 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1boe n ASP 38 N -2.64 0.00 -2.15 1.08 8.00 -1.26 -4.97 116.55 114.61 1boe n ASP 38 Ca -0.18 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.07 1boe n ASP 38 Cb 0.62 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.74 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 3.51 -3.66 -1.24 2.13 -1.26 -4.98 120.64 115.14 1boe n GLU 39 Ca 0.00 -4.18 -0.07 0.00 0.66 0.00 0.00 57.16 53.56 1boe n GLU 39 Cb 0.00 -2.27 -0.08 0.00 0.27 0.00 0.00 31.44 29.35 1boe n GLU 39 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1boe s GLU 40 N -3.61 0.47 -0.54 5.31 4.04 -1.26 -5.06 118.70 118.05 1boe s GLU 40 Ca 0.51 1.08 -0.07 0.00 0.04 0.00 0.00 54.97 56.54 1boe s GLU 40 Cb 0.41 0.29 -0.17 0.00 0.02 0.00 0.00 34.13 34.68 1boe s GLU 40 CO -0.02 -0.19 1.20 1.17 -1.84 0.00 0.00 175.26 175.57 1boe n LYS 41 N 4.86 0.00 -1.73 -4.83 4.81 -1.26 -4.65 118.16 115.36 1boe n LYS 41 Ca -0.16 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 56.98 1boe n LYS 41 Cb 0.53 -0.58 0.21 0.00 0.02 0.00 0.00 35.03 35.21 1boe n LYS 41 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1boe s PRO 42 N 3.92 0.04 -0.15 1.64 0.04 -1.26 -3.94 135.00 135.30 1boe s PRO 42 Ca 0.71 -0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.36 1boe s PRO 42 Cb -0.49 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1boe s PRO 42 CO 0.30 -2.82 0.00 1.28 0.04 0.00 0.00 177.00 175.80 1boe n LEU 43 N -4.06 0.66 -1.32 -3.56 7.99 -1.26 -4.63 117.00 110.83 1boe n LEU 43 Ca 0.16 0.03 -0.06 0.00 -0.01 0.00 0.00 56.01 56.13 1boe n LEU 43 Cb 0.59 -2.18 -0.03 0.00 -0.11 0.00 0.00 43.42 41.69 1boe n LEU 43 CO 0.44 -0.83 0.38 1.57 -1.51 0.00 0.00 177.39 177.44 1boe n HIS 44 N -2.20 -0.33 0.00 -1.77 -0.00 -1.25 -4.95 115.22 104.71 1boe n HIS 44 Ca -0.01 -0.72 0.00 0.00 0.46 0.00 0.00 57.72 57.45 1boe n HIS 44 Cb 0.43 0.64 0.00 0.00 -0.12 0.00 0.00 29.99 30.94 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 -0.24 1.96 0.01 1.57 0.00 -1.26 -4.74 120.51 117.81 1boe n ALA 45 Ca -0.24 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.12 1boe n ALA 45 Cb 0.75 0.32 0.04 0.00 0.00 0.00 0.00 19.45 20.56 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 -2.11 4.69 -0.03 0.00 -0.00 -1.26 0.33 117.00 118.62 1boe n LEU 46 Ca 0.00 -2.35 -0.03 0.00 -0.00 0.00 0.00 56.01 53.62 1boe n LEU 46 Cb 0.34 -0.77 -0.01 0.00 -0.00 0.00 0.00 43.42 42.98 1boe n LEU 46 CO 0.00 0.82 -0.25 0.18 -0.00 0.00 0.00 177.39 178.13 1boe n LEU 47 N 0.35 0.90 -0.00 1.47 4.32 -1.26 0.25 117.00 123.03 1boe n LEU 47 Ca 0.16 0.15 -0.17 0.00 -0.02 0.00 0.00 56.01 56.12 1boe n LEU 47 Cb 0.71 -0.50 -0.11 0.00 -1.62 0.00 0.00 43.42 41.91 1boe n LEU 47 CO 0.18 -0.45 0.27 0.45 -1.22 0.00 0.00 177.39 176.62 1boe h HIS 48 N -0.37 0.62 0.00 -1.77 3.86 -1.89 -3.04 115.15 112.57 1boe h HIS 48 Ca 0.00 -0.33 0.00 0.00 -1.16 0.00 0.00 60.37 58.88 1boe h HIS 48 Cb 0.37 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.77 1boe h HIS 48 CO -0.16 1.14 0.00 0.41 0.86 0.00 0.00 177.93 180.18 1boe n GLY 49 N 1.00 0.00 0.12 2.45 0.00 -1.24 -4.67 105.19 102.86 1boe n GLY 49 Ca -0.10 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.95 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 1.30 -0.49 1.61 1.74 0.15 -4.30 116.66 116.67 1boe n ARG 50 Ca 0.00 -1.60 0.00 0.00 -0.77 0.00 0.00 57.85 55.48 1boe n ARG 50 Cb 0.00 -0.98 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 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 -0.63 1.20 2.82 -0.13 0.00 0.15 -4.35 105.19 104.24 1boe n GLY 51 Ca 0.05 -1.99 -0.14 0.00 0.00 0.00 0.00 46.02 43.95 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 0.85 -0.03 -0.51 1.61 -7.23 0.45 -0.34 120.40 115.20 1boe s VAL 52 Ca 0.00 0.12 -0.29 0.00 -1.81 0.00 0.00 61.98 60.00 1boe s VAL 52 Cb 0.00 -0.05 0.03 0.00 0.56 0.00 0.00 36.38 36.92 1boe s VAL 52 CO 0.00 0.05 1.20 0.00 -0.31 0.00 0.00 175.10 176.04 1boe s LEU 54 N 4.85 3.78 0.74 0.00 2.01 -0.93 -1.37 118.68 127.75 1boe s LEU 54 Ca 0.48 -0.12 -0.17 0.00 0.01 0.00 0.00 54.13 54.33 1boe s LEU 54 Cb -0.08 -2.40 -0.12 0.00 0.01 0.00 0.00 46.19 43.60 1boe s LEU 54 CO 0.29 0.09 -0.16 -0.46 1.01 0.00 0.00 176.35 177.12 1boe n ASN 55 N -0.20 -3.76 -1.78 2.29 0.23 -1.26 -3.33 115.26 107.44 1boe n ASN 55 Ca -0.08 0.47 -0.12 0.00 -0.53 0.00 0.00 54.58 54.32 1boe n ASN 55 Cb 0.54 -0.93 0.02 0.00 -2.08 0.00 0.00 39.78 37.34 1boe n ASN 55 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1boe n GLU 56 N 1.15 1.57 0.00 -3.83 0.28 -1.17 -4.35 120.64 114.29 1boe n GLU 56 Ca 0.05 -1.09 0.00 0.00 -0.16 0.00 0.00 57.16 55.96 1boe n GLU 56 Cb 0.51 -1.44 0.00 0.00 1.43 0.00 0.00 31.44 31.94 1boe n GLU 56 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1boe n LYS 57 N 0.73 0.00 0.00 3.44 4.76 -1.26 -5.09 118.16 120.73 1boe n LYS 57 Ca 0.21 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.71 1boe n LYS 57 Cb 0.56 -0.40 0.02 0.00 -1.84 0.00 0.00 35.03 33.36 1boe n LYS 57 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48