#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kma n GLN 2 N 0.00 0.00 -2.62 -1.08 7.27 -1.26 -4.93 117.38 114.76 1kma n GLN 2 Ca 0.00 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.65 1kma n GLN 2 Cb 0.00 0.00 0.01 0.00 2.41 0.00 0.00 30.24 32.66 1kma n GLN 2 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1kma n GLY 3 N -1.09 5.24 0.36 1.69 0.00 -1.26 -3.50 105.19 106.63 1kma n GLY 3 Ca 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 46.02 43.61 1kma n GLY 3 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1kma n ASN 4 N 1.84 -0.44 0.13 1.61 4.13 -1.26 -5.01 115.26 116.25 1kma n ASN 4 Ca 0.38 0.34 -0.09 0.00 1.68 0.00 0.00 54.58 56.89 1kma n ASN 4 Cb 0.32 0.69 -0.05 0.00 -1.54 0.00 0.00 39.78 39.20 1kma n ASN 4 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 1kma h PRO 5 N 0.00 -0.39 -6.47 3.52 0.13 -1.86 -3.44 132.00 123.48 1kma h PRO 5 Ca 0.00 0.03 -0.53 0.00 -0.87 0.00 0.00 66.00 64.63 1kma h PRO 5 Cb 0.00 0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.19 1kma h PRO 5 CO 0.00 -0.15 0.31 0.00 -0.23 0.00 0.00 178.00 177.94 1kma n GLU 7 N 2.97 0.00 -4.20 0.00 1.02 -1.26 -4.68 120.64 114.50 1kma n GLU 7 Ca 0.02 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.92 1kma n GLU 7 Cb 0.50 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.84 1kma n GLU 7 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1kma s PRO 9 N -3.80 0.12 0.00 0.00 0.04 -1.26 -4.90 135.00 125.20 1kma s PRO 9 Ca 0.37 0.25 -0.02 0.00 0.04 0.00 0.00 61.00 61.64 1kma s PRO 9 Cb -0.01 -1.72 -0.10 0.00 0.04 0.00 0.00 34.50 32.71 1kma s PRO 9 CO 0.21 -2.88 2.32 0.54 0.04 0.00 0.00 177.00 177.24 1kma n ARG 10 N -4.23 1.21 -1.85 4.56 5.12 -1.26 -4.89 116.66 115.32 1kma n ARG 10 Ca 0.08 -0.36 -0.42 0.00 -1.93 0.00 0.00 57.85 55.21 1kma n ARG 10 Cb 0.58 -1.44 -0.03 0.00 -1.16 0.00 0.00 32.46 30.42 1kma n ARG 10 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1kma s ALA 11 N 0.73 3.61 -0.75 7.54 0.00 -1.26 -4.90 121.76 126.72 1kma s ALA 11 Ca 0.24 1.13 -0.07 0.00 0.00 0.00 0.00 51.96 53.26 1kma s ALA 11 Cb 0.12 -3.79 -0.15 0.00 0.00 0.00 0.00 23.12 19.30 1kma s ALA 11 CO 0.00 -1.46 3.23 1.28 0.00 0.00 0.00 175.76 178.81 1kma n LEU 12 N 7.22 6.88 -3.54 0.00 7.99 -1.26 -4.27 117.00 130.02 1kma n LEU 12 Ca 0.18 -3.82 -0.40 0.00 -0.01 0.00 0.00 56.01 51.96 1kma n LEU 12 Cb 0.42 -1.46 -0.00 0.00 -0.11 0.00 0.00 43.42 42.27 1kma n LEU 12 CO 0.65 1.87 2.26 1.41 -1.51 0.00 0.00 177.39 182.07 1kma n HIS 13 N 2.74 2.64 -1.51 -1.77 8.25 -0.58 -4.94 115.22 120.05 1kma n HIS 13 Ca 0.59 -2.79 -0.40 0.00 -0.26 0.00 0.00 57.72 54.85 1kma n HIS 13 Cb 0.58 -1.79 -0.11 0.00 1.12 0.00 0.00 29.99 29.79 1kma n HIS 13 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1kma n ARG 14 N 1.81 0.33 -3.01 -0.41 5.12 -0.99 -3.16 116.66 116.36 1kma n ARG 14 Ca 0.58 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 56.31 1kma n ARG 14 Cb 0.26 -2.10 0.07 0.00 -1.16 0.00 0.00 32.46 29.52 1kma n ARG 14 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1kma s VAL 15 N 9.90 2.12 -0.08 1.55 -7.23 0.22 -1.38 120.40 125.50 1kma s VAL 15 Ca 1.24 -0.98 0.03 0.00 -1.81 0.00 0.00 61.98 60.46 1kma s VAL 15 Cb -0.93 -2.14 -0.02 0.00 0.56 0.00 0.00 36.38 33.85 1kma s VAL 15 CO 0.42 0.00 -0.17 0.00 -0.31 0.00 0.00 175.10 175.04 1kma s GLY 17 N -0.21 1.75 0.48 0.00 0.00 0.46 -4.37 107.32 105.44 1kma s GLY 17 Ca -0.00 -1.29 0.19 0.00 0.00 0.00 0.00 44.72 43.61 1kma s GLY 17 CO 0.03 -0.83 1.99 1.48 0.00 0.00 0.00 173.10 175.77 1kma h SER 18 N -0.52 0.20 0.00 1.64 4.64 -1.87 0.15 113.55 117.81 1kma h SER 18 Ca -0.41 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1kma h SER 18 Cb 1.29 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1kma h SER 18 CO 0.50 0.12 0.00 0.47 -0.87 0.00 0.00 176.83 177.05 1kma n ASP 19 N -4.44 0.00 0.00 4.97 9.92 -1.26 -4.86 116.55 120.88 1kma n ASP 19 Ca 0.10 -0.96 0.00 0.00 -0.53 0.00 0.00 54.79 53.40 1kma n ASP 19 Cb 0.47 -0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.95 1kma n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1kma n GLY 20 N 0.92 0.93 3.63 0.44 0.00 0.54 -4.98 105.19 106.67 1kma n GLY 20 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 1kma n GLY 20 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1kma s ASN 21 N -2.86 6.51 0.59 1.61 3.84 -1.25 -3.93 114.94 119.45 1kma s ASN 21 Ca 0.00 1.50 -0.19 0.00 0.21 0.00 0.00 52.86 54.38 1kma s ASN 21 Cb 0.00 -2.54 -0.04 0.00 -0.55 0.00 0.00 41.25 38.13 1kma s ASN 21 CO 0.00 -1.17 1.20 -0.89 -2.79 0.00 0.00 177.10 173.45 1kma s THR 22 N 4.81 2.69 -0.04 -5.21 2.01 -1.26 -0.40 115.64 118.24 1kma s THR 22 Ca 0.65 0.43 0.05 0.00 0.31 0.00 0.00 61.69 63.13 1kma s THR 22 Cb -0.22 -3.16 -0.01 0.00 0.01 0.00 0.00 72.50 69.12 1kma s THR 22 CO 0.26 -0.10 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.60 1kma s TYR 23 N -1.63 1.85 0.36 4.92 2.02 0.17 -4.86 117.35 120.18 1kma s TYR 23 Ca 0.77 -0.51 0.25 0.00 -0.37 0.00 0.00 57.07 57.20 1kma s TYR 23 Cb -0.29 -1.23 1.25 0.00 -0.40 0.00 0.00 41.96 41.28 1kma s TYR 23 CO 0.33 -0.15 1.35 0.43 -1.57 0.00 0.00 175.55 175.94 1kma n SER 24 N 3.03 0.22 -3.50 2.29 7.64 -1.26 -0.61 113.62 121.43 1kma n SER 24 Ca -0.17 1.28 -0.12 0.00 1.01 0.00 0.00 58.87 60.87 1kma n SER 24 Cb 0.53 -0.63 -0.04 0.00 -1.01 0.00 0.00 64.21 63.06 1kma n SER 24 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1kma s ASN 25 N -4.41 -0.50 0.39 6.43 2.20 -1.19 -1.52 114.94 116.35 1kma s ASN 25 Ca -0.07 0.25 0.20 0.00 -0.94 0.00 0.00 52.86 52.30 1kma s ASN 25 Cb 0.28 0.47 0.68 0.00 -2.00 0.00 0.00 41.25 40.67 1kma s ASN 25 CO 0.70 -0.67 1.72 1.55 -2.94 0.00 0.00 177.10 177.46 1kma h PRO 26 N 2.34 0.00 -0.00 3.55 0.13 -1.83 -2.71 132.00 133.48 1kma h PRO 26 Ca -0.26 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.79 1kma h PRO 26 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1kma h PRO 26 CO 0.35 0.32 -0.39 0.00 -0.23 0.00 0.00 178.00 178.06 1kma h MET 28 N 0.00 0.65 0.00 0.00 2.86 -1.87 -3.10 114.93 113.47 1kma h MET 28 Ca -0.00 -0.60 0.00 0.00 -2.06 0.00 0.00 59.70 57.04 1kma h MET 28 Cb 0.69 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.49 1kma h MET 28 CO 0.05 1.21 0.00 -0.11 1.06 0.00 0.00 176.91 179.12 1kma n LEU 29 N -4.02 0.00 -0.33 1.22 0.00 -1.11 -0.89 117.00 111.86 1kma n LEU 29 Ca -0.09 1.00 0.18 0.00 0.00 0.00 0.00 56.01 57.09 1kma n LEU 29 Cb 0.74 -0.50 0.42 0.00 0.00 0.00 0.00 43.42 44.09 1kma n LEU 29 CO 0.51 -0.50 1.20 0.00 0.00 0.00 0.00 177.39 178.61 1kma h THR 30 N 0.00 0.62 0.00 1.96 1.03 -1.68 0.55 112.91 115.39 1kma h THR 30 Ca 0.00 -0.19 0.00 0.00 -0.01 0.00 0.00 66.41 66.21 1kma h THR 30 Cb 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 67.08 1kma h THR 30 CO 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 175.52 175.61 1kma n ALA 32 N -2.05 -0.22 -0.10 0.00 0.00 -0.07 0.25 120.51 118.32 1kma n ALA 32 Ca 0.00 0.76 -0.05 0.00 0.00 0.00 0.00 53.44 54.15 1kma n ALA 32 Cb 0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 19.45 19.13 1kma n ALA 32 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1kma h LYS 33 N 0.00 -0.09 0.00 0.00 3.64 -0.71 0.26 116.57 119.66 1kma h LYS 33 Ca 0.23 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1kma h LYS 33 Cb 0.43 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1kma h LYS 33 CO -0.78 -0.06 0.00 0.45 -2.27 0.00 0.00 179.45 176.79 1kma h HIS 34 N -0.10 0.00 0.00 1.91 3.86 0.32 -1.72 115.15 119.42 1kma h HIS 34 Ca 0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1kma h HIS 34 Cb 0.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1kma h HIS 34 CO -0.78 0.00 0.00 -1.91 0.86 0.00 0.00 177.93 176.10 1kma n GLU 35 N -2.43 0.00 -2.69 2.45 0.00 0.14 -4.88 120.64 113.23 1kma n GLU 35 Ca 0.00 0.08 -0.07 0.00 0.00 0.00 0.00 57.16 57.18 1kma n GLU 35 Cb 0.16 -0.70 0.10 0.00 0.00 0.00 0.00 31.44 30.99 1kma n GLU 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1kma n GLY 36 N 1.71 1.45 2.41 8.31 0.00 0.78 -4.77 105.19 115.08 1kma n GLY 36 Ca 0.00 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 1kma n GLY 36 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kma n ASN 37 N -0.55 -0.45 0.02 1.61 5.15 -0.47 -4.89 115.26 115.68 1kma n ASN 37 Ca -0.01 -3.29 0.02 0.00 -0.60 0.00 0.00 54.58 50.70 1kma n ASN 37 Cb 0.84 0.41 0.12 0.00 -0.53 0.00 0.00 39.78 40.62 1kma n ASN 37 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1kma n PRO 38 N 0.31 0.02 0.01 1.20 -0.04 -1.22 -1.14 135.00 134.14 1kma n PRO 38 Ca 0.17 0.47 -0.06 0.00 -0.04 0.00 0.00 63.50 64.04 1kma n PRO 38 Cb 0.68 -1.55 -0.12 0.00 -0.04 0.00 0.00 33.50 32.47 1kma n PRO 38 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1kma h ASP 39 N 0.00 0.00 -4.18 3.54 1.82 -1.94 -3.47 116.42 112.20 1kma h ASP 39 Ca 0.00 0.00 -0.52 0.00 -0.39 0.00 0.00 57.03 56.12 1kma h ASP 39 Cb 0.05 0.00 0.13 0.00 0.68 0.00 0.00 39.33 40.19 1kma h ASP 39 CO 0.00 0.89 0.39 -0.22 -1.61 0.00 0.00 179.24 178.69 1kma s LEU 40 N -6.18 3.37 -0.05 2.28 2.96 -0.29 -5.02 118.68 115.75 1kma s LEU 40 Ca -0.03 2.21 -0.10 0.00 -0.22 0.00 0.00 54.13 56.00 1kma s LEU 40 Cb 0.08 -4.57 0.02 0.00 0.50 0.00 0.00 46.19 42.22 1kma s LEU 40 CO 0.82 -1.97 0.23 0.68 -1.32 0.00 0.00 176.35 174.79 1kma s VAL 41 N -2.10 0.04 -1.15 1.68 -7.23 -1.26 -4.96 120.40 105.41 1kma s VAL 41 Ca 0.71 -0.32 -0.22 0.00 -1.81 0.00 0.00 61.98 60.35 1kma s VAL 41 Cb -0.26 -0.44 -0.03 0.00 0.56 0.00 0.00 36.38 36.22 1kma s VAL 41 CO 0.43 -0.17 1.84 -1.58 -0.31 0.00 0.00 175.10 175.30 1kma s GLN 42 N -0.67 3.00 0.14 4.82 2.00 -1.26 -3.75 119.66 123.93 1kma s GLN 42 Ca -0.08 -1.23 -0.19 0.00 -2.00 0.00 0.00 55.36 51.86 1kma s GLN 42 Cb -0.04 -5.30 0.00 0.00 0.80 0.00 0.00 33.01 28.47 1kma s GLN 42 CO 0.02 -3.26 1.70 -0.39 -0.50 0.00 0.00 175.29 172.86 1kma h VAL 43 N 6.27 0.78 0.00 1.34 -1.51 -1.91 -3.48 116.25 117.74 1kma h VAL 43 Ca 0.25 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.72 1kma h VAL 43 Cb 0.94 0.75 0.00 0.00 -2.13 0.00 0.00 31.29 30.85 1kma h VAL 43 CO 1.30 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 177.65 1kma n HIS 44 N -5.20 0.00 -1.62 5.19 1.44 -1.26 -5.09 115.22 108.69 1kma n HIS 44 Ca -0.01 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.56 1kma n HIS 44 Cb 0.14 0.00 0.09 0.00 0.12 0.00 0.00 29.99 30.34 1kma n HIS 44 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1kma n GLU 45 N -0.26 -0.49 -0.34 -1.40 -0.58 -1.26 -4.21 120.64 112.10 1kma n GLU 45 Ca 0.00 -1.08 0.00 0.00 -0.42 0.00 0.00 57.16 55.66 1kma n GLU 45 Cb 0.00 -0.62 0.00 0.00 -0.57 0.00 0.00 31.44 30.25 1kma n GLU 45 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1kma n GLY 46 N 0.77 -3.51 3.78 0.62 0.00 -1.26 -4.38 105.19 101.21 1kma n GLY 46 Ca 0.08 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.77 1kma n GLY 46 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1kma s PRO 47 N -4.48 4.12 0.00 1.61 0.04 -0.48 -0.62 135.00 135.19 1kma s PRO 47 Ca 0.00 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1kma s PRO 47 Cb 0.00 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.97 1kma s PRO 47 CO 0.00 -0.20 0.00 0.00 0.04 0.00 0.00 177.00 176.84 1kma s ASP 49 N -1.00 -0.06 0.88 0.00 2.15 -1.25 -5.04 116.67 112.35 1kma s ASP 49 Ca 0.00 0.10 -0.08 0.00 0.43 0.00 0.00 52.55 53.00 1kma s ASP 49 Cb 0.00 0.48 0.14 0.00 -0.30 0.00 0.00 42.92 43.23 1kma s ASP 49 CO 0.00 -0.02 0.85 -0.62 -0.17 0.00 0.00 175.17 175.21 1kma n GLU 50 N 2.19 -0.57 -1.25 4.34 1.02 -1.26 -4.70 120.64 120.41 1kma n GLU 50 Ca -0.13 -1.57 -0.23 0.00 -0.02 0.00 0.00 57.16 55.21 1kma n GLU 50 Cb 0.57 -0.79 -0.11 0.00 -0.02 0.00 0.00 31.44 31.09 1kma n GLU 50 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1kma n HIS 51 N -2.99 1.01 -3.61 -0.32 8.25 -1.26 -4.82 115.22 111.49 1kma n HIS 51 Ca 0.11 -2.00 -0.06 0.00 -0.26 0.00 0.00 57.72 55.52 1kma n HIS 51 Cb 0.40 -1.73 -0.04 0.00 1.12 0.00 0.00 29.99 29.74 1kma n HIS 51 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1kma s ASP 52 N 1.51 -0.18 -0.46 0.41 2.15 -1.26 -5.11 116.67 113.73 1kma s ASP 52 Ca 0.65 0.16 0.06 0.00 0.43 0.00 0.00 52.55 53.84 1kma s ASP 52 Cb 0.30 0.16 0.21 0.00 -0.30 0.00 0.00 42.92 43.29 1kma s ASP 52 CO -0.07 -0.20 0.47 0.00 -0.17 0.00 0.00 175.17 175.20 1kma n HIS 53 N 0.44 0.26 -2.66 -5.34 1.44 -1.26 -5.09 115.22 103.01 1kma n HIS 53 Ca -0.04 -3.61 -0.29 0.00 -2.01 0.00 0.00 57.72 51.77 1kma n HIS 53 Cb 0.58 -0.16 -0.01 0.00 0.12 0.00 0.00 29.99 30.52 1kma n HIS 53 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1kma s ASP 54 N -0.86 6.39 0.00 4.39 1.01 -1.26 -5.26 116.67 121.07 1kma s ASP 54 Ca 0.34 1.08 0.00 0.00 0.71 0.00 0.00 52.55 54.68 1kma s ASP 54 Cb 0.09 -2.31 0.00 0.00 1.01 0.00 0.00 42.92 41.71 1kma s ASP 54 CO -0.14 -0.52 0.00 0.33 0.21 0.00 0.00 175.17 175.04