#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 -1.10 -1.08 6.02 -1.26 -4.98 117.38 114.98 1kma n GLN 2 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.81 1kma n GLN 2 Cb 0.00 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.12 1kma n GLN 2 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1kma n GLY 3 N -1.23 3.33 2.08 1.08 0.00 -1.26 -1.03 105.19 108.16 1kma n GLY 3 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 2.56 -1.52 -0.28 1.61 5.03 -1.26 -4.90 115.26 116.51 1kma n ASN 4 Ca 0.50 0.33 -0.04 0.00 0.87 0.00 0.00 54.58 56.24 1kma n ASN 4 Cb 0.77 1.72 0.07 0.00 -1.02 0.00 0.00 39.78 41.32 1kma n ASN 4 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 1kma h PRO 5 N 0.00 1.01 -4.13 3.52 0.13 -1.84 -3.37 132.00 127.32 1kma h PRO 5 Ca 0.00 -0.06 -0.75 0.00 -0.87 0.00 0.00 66.00 64.32 1kma h PRO 5 Cb 0.00 -0.23 -0.25 0.00 0.13 0.00 0.00 31.00 30.65 1kma h PRO 5 CO 0.00 0.67 -0.26 0.00 -0.23 0.00 0.00 178.00 178.19 1kma n GLU 7 N 5.16 0.55 -3.79 0.00 2.13 -1.26 -4.49 120.64 118.95 1kma n GLU 7 Ca -0.12 -3.41 -0.09 0.00 0.66 0.00 0.00 57.16 54.20 1kma n GLU 7 Cb 0.40 -1.71 -0.03 0.00 0.27 0.00 0.00 31.44 30.37 1kma n GLU 7 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1kma s PRO 9 N -3.90 3.28 0.00 0.00 0.04 -1.26 -4.94 135.00 128.22 1kma s PRO 9 Ca 0.11 0.65 -0.02 0.00 0.04 0.00 0.00 61.00 61.78 1kma s PRO 9 Cb -0.02 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 1kma s PRO 9 CO 0.01 -0.78 2.11 0.54 0.04 0.00 0.00 177.00 178.92 1kma n ARG 10 N -2.87 1.09 -1.99 4.56 1.74 -1.26 -4.93 116.66 113.00 1kma n ARG 10 Ca 0.06 -0.34 -0.42 0.00 -0.77 0.00 0.00 57.85 56.39 1kma n ARG 10 Cb 0.55 -1.46 -0.03 0.00 -1.02 0.00 0.00 32.46 30.50 1kma n ARG 10 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1kma s ALA 11 N 0.94 3.71 -0.22 7.54 0.00 -1.26 -4.92 121.76 127.55 1kma s ALA 11 Ca 0.23 1.32 -0.02 0.00 0.00 0.00 0.00 51.96 53.48 1kma s ALA 11 Cb 0.11 -3.59 0.07 0.00 0.00 0.00 0.00 23.12 19.70 1kma s ALA 11 CO 0.00 -0.74 2.36 1.28 0.00 0.00 0.00 175.76 178.66 1kma n LEU 12 N 3.55 6.02 -3.58 0.00 7.99 -1.25 -3.89 117.00 125.83 1kma n LEU 12 Ca 0.12 -3.19 -0.41 0.00 -0.01 0.00 0.00 56.01 52.52 1kma n LEU 12 Cb 0.40 -1.16 0.00 0.00 -0.11 0.00 0.00 43.42 42.55 1kma n LEU 12 CO 0.61 1.32 2.10 1.57 -1.51 0.00 0.00 177.39 181.48 1kma n HIS 13 N 1.03 2.65 -1.74 -1.77 -0.00 0.40 -4.96 115.22 110.83 1kma n HIS 13 Ca 0.27 -2.75 -0.40 0.00 0.46 0.00 0.00 57.72 55.29 1kma n HIS 13 Cb 0.60 -1.70 0.01 0.00 -0.12 0.00 0.00 29.99 28.79 1kma n HIS 13 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1kma n ARG 14 N 1.61 2.15 -4.10 1.57 1.74 -0.86 -3.93 116.66 114.83 1kma n ARG 14 Ca 0.55 0.76 -0.10 0.00 -0.77 0.00 0.00 57.85 58.29 1kma n ARG 14 Cb 0.27 -2.54 -0.09 0.00 -1.02 0.00 0.00 32.46 29.09 1kma n ARG 14 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1kma s VAL 15 N -1.19 0.04 -0.08 1.55 -7.23 -0.01 -2.83 120.40 110.65 1kma s VAL 15 Ca 0.61 -1.75 0.02 0.00 -1.81 0.00 0.00 61.98 59.05 1kma s VAL 15 Cb -0.47 -2.21 -0.02 0.00 0.56 0.00 0.00 36.38 34.23 1kma s VAL 15 CO 0.58 -0.16 -0.14 0.00 -0.31 0.00 0.00 175.10 175.07 1kma s GLY 17 N -0.36 1.48 0.57 0.00 0.00 0.34 -3.57 107.32 105.78 1kma s GLY 17 Ca 0.04 -1.22 0.29 0.00 0.00 0.00 0.00 44.72 43.82 1kma s GLY 17 CO 0.02 -1.13 1.93 1.48 0.00 0.00 0.00 173.10 175.40 1kma h SER 18 N 0.77 0.00 0.39 1.64 4.64 -1.86 0.40 113.55 119.54 1kma h SER 18 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1kma h SER 18 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1kma h SER 18 CO 0.57 0.00 0.00 -0.67 -0.87 0.00 0.00 176.83 175.86 1kma n ASP 19 N -3.94 0.49 0.00 4.97 -0.08 -1.26 -4.80 116.55 111.93 1kma n ASP 19 Ca 0.10 0.66 0.00 0.00 -1.51 0.00 0.00 54.79 54.04 1kma n ASP 19 Cb 0.68 -0.75 0.00 0.00 2.34 0.00 0.00 41.12 43.39 1kma n ASP 19 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1kma n GLY 20 N -0.57 0.62 3.56 0.27 0.00 0.09 -5.02 105.19 104.14 1kma n GLY 20 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.82 4.27 0.42 1.61 3.84 -0.94 -4.49 114.94 116.84 1kma s ASN 21 Ca 0.00 -0.49 -0.25 0.00 0.21 0.00 0.00 52.86 52.33 1kma s ASN 21 Cb 0.00 -2.56 -0.08 0.00 -0.55 0.00 0.00 41.25 38.05 1kma s ASN 21 CO 0.00 -3.64 1.27 -0.89 -2.79 0.00 0.00 177.10 171.06 1kma s THR 22 N 13.49 2.71 0.17 -5.21 2.01 -1.26 -0.51 115.64 127.04 1kma s THR 22 Ca 0.82 0.61 0.08 0.00 0.31 0.00 0.00 61.69 63.52 1kma s THR 22 Cb -0.09 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 1kma s THR 22 CO 0.08 0.07 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.59 1kma s TYR 23 N -1.32 1.82 0.53 4.92 1.51 0.11 -4.92 117.35 120.00 1kma s TYR 23 Ca 0.59 -0.48 0.20 0.00 -1.01 0.00 0.00 57.07 56.37 1kma s TYR 23 Cb -0.36 -0.90 1.35 0.00 -0.11 0.00 0.00 41.96 41.94 1kma s TYR 23 CO 0.46 0.34 2.10 1.03 -1.11 0.00 0.00 175.55 178.37 1kma h SER 24 N 3.17 0.00 -4.82 2.29 0.87 -1.84 0.02 113.55 113.24 1kma h SER 24 Ca -0.42 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.20 1kma h SER 24 Cb 1.21 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 63.03 1kma h SER 24 CO 0.52 0.00 0.36 0.54 -0.53 0.00 0.00 176.83 177.73 1kma s ASN 25 N -6.70 -0.45 0.50 6.23 2.20 -1.25 -0.45 114.94 115.01 1kma s ASN 25 Ca -0.05 -0.02 0.32 0.00 -0.94 0.00 0.00 52.86 52.17 1kma s ASN 25 Cb 0.18 0.49 1.33 0.00 -2.00 0.00 0.00 41.25 41.24 1kma s ASN 25 CO 0.68 -0.79 1.94 1.55 -2.94 0.00 0.00 177.10 177.54 1kma h PRO 26 N 2.00 0.00 -0.22 3.55 0.13 -1.87 -2.61 132.00 132.97 1kma h PRO 26 Ca -0.27 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.81 1kma h PRO 26 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1kma h PRO 26 CO 0.34 0.00 -0.06 0.00 -0.23 0.00 0.00 178.00 178.05 1kma h MET 28 N 0.16 0.90 0.34 0.00 2.86 -1.84 0.31 114.93 117.67 1kma h MET 28 Ca 0.06 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 1kma h MET 28 Cb 0.52 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1kma h MET 28 CO 0.02 0.74 -0.17 1.25 1.06 0.00 0.00 176.91 179.82 1kma h LEU 29 N 0.89 -0.39 -1.73 1.22 6.46 -1.42 -0.51 115.31 119.82 1kma h LEU 29 Ca 0.21 0.01 0.07 0.00 -0.12 0.00 0.00 57.88 58.06 1kma h LEU 29 Cb 0.17 0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.18 1kma h LEU 29 CO -0.02 -0.28 0.32 0.00 -0.62 0.00 0.00 178.44 177.84 1kma h THR 30 N -0.46 0.93 0.00 1.05 1.03 -0.80 0.26 112.91 114.92 1kma h THR 30 Ca -0.05 -0.11 0.00 0.00 -0.01 0.00 0.00 66.41 66.24 1kma h THR 30 Cb 0.35 0.58 0.00 0.00 -1.07 0.00 0.00 68.15 68.01 1kma h THR 30 CO 0.08 0.06 0.00 0.00 -0.01 0.00 0.00 175.52 175.65 1kma n ALA 32 N -2.14 -0.02 -0.00 0.00 0.00 -0.20 0.26 120.51 118.41 1kma n ALA 32 Ca 0.00 0.87 -0.09 0.00 0.00 0.00 0.00 53.44 54.22 1kma n ALA 32 Cb 0.00 -0.43 -0.06 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.33 0.00 0.00 3.64 -0.36 0.27 116.57 119.79 1kma h LYS 33 Ca 0.33 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.70 1kma h LYS 33 Cb 0.54 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1kma h LYS 33 CO -0.85 -0.22 -0.13 0.45 -2.27 0.00 0.00 179.45 176.43 1kma h HIS 34 N -0.34 0.00 0.48 1.91 3.86 -0.39 -1.18 115.15 119.49 1kma h HIS 34 Ca 0.02 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1kma h HIS 34 Cb 0.40 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.87 1kma h HIS 34 CO -0.52 0.13 -0.23 1.49 0.86 0.00 0.00 177.93 179.66 1kma h GLU 35 N 0.00 -0.63 0.00 2.45 4.22 0.75 -3.45 114.58 117.92 1kma h GLU 35 Ca -0.00 0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.47 1kma h GLU 35 Cb 0.30 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1kma h GLU 35 CO 0.02 -0.40 -0.03 0.41 -2.18 0.00 0.00 179.01 176.82 1kma n GLY 36 N 0.10 0.78 2.57 1.92 0.00 0.81 -4.79 105.19 106.57 1kma n GLY 36 Ca -0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 2.88 0.31 1.61 2.85 -0.32 -4.96 115.26 117.63 1kma n ASN 37 Ca -0.03 -3.26 0.19 0.00 -0.11 0.00 0.00 54.58 51.37 1kma n ASN 37 Cb 0.45 -0.53 1.07 0.00 1.24 0.00 0.00 39.78 42.00 1kma n ASN 37 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1kma h PRO 38 N 2.87 0.00 -0.03 1.20 0.13 -1.72 0.59 132.00 135.04 1kma h PRO 38 Ca 0.10 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.19 1kma h PRO 38 Cb 0.92 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 1kma h PRO 38 CO 0.67 0.00 -0.20 -0.44 -0.23 0.00 0.00 178.00 177.80 1kma h ASP 39 N 0.00 0.05 -4.27 1.44 5.19 -1.93 -3.45 116.42 113.45 1kma h ASP 39 Ca 0.01 -0.01 -0.52 0.00 -0.62 0.00 0.00 57.03 55.89 1kma h ASP 39 Cb 0.07 -0.01 0.16 0.00 0.18 0.00 0.00 39.33 39.73 1kma h ASP 39 CO -0.00 0.25 0.30 -0.22 -3.12 0.00 0.00 179.24 176.45 1kma s LEU 40 N -8.61 3.03 0.06 1.55 2.96 0.20 -4.97 118.68 112.90 1kma s LEU 40 Ca -0.04 2.04 -0.18 0.00 -0.22 0.00 0.00 54.13 55.73 1kma s LEU 40 Cb 0.15 -4.55 0.04 0.00 0.50 0.00 0.00 46.19 42.33 1kma s LEU 40 CO 0.71 -2.43 0.42 0.68 -1.32 0.00 0.00 176.35 174.41 1kma s VAL 41 N -2.64 0.05 -1.03 1.68 -7.23 -1.26 -4.99 120.40 104.98 1kma s VAL 41 Ca 0.65 -0.45 -0.23 0.00 -1.81 0.00 0.00 61.98 60.14 1kma s VAL 41 Cb -0.21 -0.99 0.01 0.00 0.56 0.00 0.00 36.38 35.75 1kma s VAL 41 CO 0.54 -0.25 1.69 -1.58 -0.31 0.00 0.00 175.10 175.19 1kma s GLN 42 N -2.72 3.21 0.16 4.82 2.00 -1.26 -3.48 119.66 122.39 1kma s GLN 42 Ca -0.04 -0.95 -0.17 0.00 -2.00 0.00 0.00 55.36 52.20 1kma s GLN 42 Cb -0.00 -5.27 0.08 0.00 0.80 0.00 0.00 33.01 28.61 1kma s GLN 42 CO -0.04 -2.74 1.71 -0.39 -0.50 0.00 0.00 175.29 173.32 1kma h VAL 43 N 6.76 0.75 -2.48 1.34 -1.51 -1.90 -3.46 116.25 115.75 1kma h VAL 43 Ca 0.20 -0.04 -0.02 0.00 -1.23 0.00 0.00 66.70 65.61 1kma h VAL 43 Cb 0.99 0.63 -0.16 0.00 -2.13 0.00 0.00 31.29 30.62 1kma h VAL 43 CO 1.34 0.02 0.24 -1.38 -1.23 0.00 0.00 177.57 176.57 1kma s HIS 44 N -6.18 -0.56 0.94 5.19 0.00 -1.25 -5.08 115.29 108.34 1kma s HIS 44 Ca -0.13 0.64 -0.13 0.00 -3.00 0.00 0.00 55.06 52.45 1kma s HIS 44 Cb 0.13 0.49 0.15 0.00 -4.00 0.00 0.00 32.58 29.36 1kma s HIS 44 CO 0.71 -0.71 1.13 -2.00 -1.00 0.00 0.00 174.74 172.87 1kma s GLU 45 N -2.58 0.94 0.57 -0.38 -6.30 -1.26 -3.35 118.70 106.34 1kma s GLU 45 Ca -0.03 0.30 0.00 0.00 -2.50 0.00 0.00 54.97 52.74 1kma s GLU 45 Cb -0.01 -1.81 0.00 0.00 0.00 0.00 0.00 34.13 32.31 1kma s GLU 45 CO -0.03 -2.34 0.00 0.41 0.02 0.00 0.00 175.26 173.32 1kma n GLY 46 N -2.01 -3.60 3.94 -1.50 0.00 -1.22 -4.75 105.19 96.05 1kma n GLY 46 Ca 0.07 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.85 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 -4.65 2.98 -0.16 1.61 0.04 -1.13 -2.16 135.00 131.54 1kma s PRO 47 Ca 0.00 -0.36 -0.17 0.00 0.04 0.00 0.00 61.00 60.51 1kma s PRO 47 Cb 0.00 -2.46 -0.14 0.00 0.04 0.00 0.00 34.50 31.94 1kma s PRO 47 CO 0.00 -0.44 0.23 0.00 0.04 0.00 0.00 177.00 176.83 1kma s ASP 49 N -6.22 7.10 -0.15 0.00 2.15 -1.26 -4.88 116.67 113.41 1kma s ASP 49 Ca -0.18 2.18 0.12 0.00 0.43 0.00 0.00 52.55 55.10 1kma s ASP 49 Cb 0.02 -2.60 0.28 0.00 -0.30 0.00 0.00 42.92 40.32 1kma s ASP 49 CO 0.43 -0.37 1.22 1.21 -0.17 0.00 0.00 175.17 177.49 1kma n GLU 50 N 2.74 0.70 -3.74 4.34 2.13 -1.26 -5.04 120.64 120.52 1kma n GLU 50 Ca 0.05 -1.61 -0.30 0.00 0.66 0.00 0.00 57.16 55.97 1kma n GLU 50 Cb 0.45 0.08 -0.14 0.00 0.27 0.00 0.00 31.44 32.11 1kma n GLU 50 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1kma s HIS 51 N -0.52 2.04 -0.01 4.31 2.46 -1.26 -5.05 115.29 117.25 1kma s HIS 51 Ca 0.13 -2.33 -0.30 0.00 0.47 0.00 0.00 55.06 53.03 1kma s HIS 51 Cb 0.26 -1.92 0.11 0.00 -0.13 0.00 0.00 32.58 30.89 1kma s HIS 51 CO -0.08 -0.81 1.18 0.16 -2.47 0.00 0.00 174.74 172.73 1kma s ASP 52 N 0.63 -0.11 -0.29 9.88 -4.77 -1.26 -5.15 116.67 115.59 1kma s ASP 52 Ca 0.16 -0.16 0.04 0.00 -3.30 0.00 0.00 52.55 49.29 1kma s ASP 52 Cb -0.23 0.24 0.19 0.00 -1.09 0.00 0.00 42.92 42.03 1kma s ASP 52 CO -0.05 -0.43 0.55 -2.28 0.70 0.00 0.00 175.17 173.66 1kma s HIS 53 N -2.64 -1.64 0.37 2.11 2.46 -1.26 -5.17 115.29 109.52 1kma s HIS 53 Ca 0.12 0.98 0.00 0.00 0.47 0.00 0.00 55.06 56.63 1kma s HIS 53 Cb 0.02 0.23 -0.03 0.00 -0.13 0.00 0.00 32.58 32.68 1kma s HIS 53 CO -0.03 -1.04 0.59 0.16 -2.47 0.00 0.00 174.74 171.95 1kma s ASP 54 N 2.77 6.21 0.00 9.88 -4.77 -1.26 -5.36 116.67 124.14 1kma s ASP 54 Ca 0.11 0.45 0.25 0.00 -3.30 0.00 0.00 52.55 50.06 1kma s ASP 54 Cb -0.11 -1.95 0.49 0.00 -1.09 0.00 0.00 42.92 40.26 1kma s ASP 54 CO -0.26 -0.39 1.43 2.22 0.70 0.00 0.00 175.17 178.87