#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 0.08 -1.08 -0.06 -1.26 -5.00 117.38 110.06 1kma n GLN 2 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 54.98 1kma n GLN 2 Cb 0.00 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.12 1kma n GLN 2 CO 0.00 0.00 0.00 0.78 -0.20 0.00 0.00 177.06 177.64 1kma h GLY 3 N 0.00 0.00 0.96 1.69 0.00 -2.02 -1.98 103.07 101.72 1kma h GLY 3 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1kma h GLY 3 CO 0.00 0.00 0.15 -0.57 0.00 0.00 0.00 176.54 176.12 1kma h ASN 4 N 0.00 0.65 0.01 0.19 -0.00 -1.99 -2.99 115.58 111.45 1kma h ASN 4 Ca -0.07 -0.20 -0.00 0.00 -0.00 0.00 0.00 56.30 56.03 1kma h ASN 4 Cb 1.61 -0.17 0.00 0.00 -0.00 0.00 0.00 38.32 39.76 1kma h ASN 4 CO 0.08 0.68 -0.00 1.55 -0.00 0.00 0.00 177.43 179.73 1kma h PRO 5 N 0.59 -0.01 -4.18 6.67 0.13 -1.88 -3.38 132.00 129.94 1kma h PRO 5 Ca 0.15 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 64.53 1kma h PRO 5 Cb 0.25 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.20 1kma h PRO 5 CO -0.01 0.41 1.50 0.00 -0.23 0.00 0.00 178.00 179.67 1kma s GLU 7 N 0.80 1.03 0.05 0.00 -6.30 -1.14 -4.62 118.70 108.51 1kma s GLU 7 Ca 0.41 -1.16 -0.28 0.00 -2.50 0.00 0.00 54.97 51.44 1kma s GLU 7 Cb 0.01 -2.35 0.09 0.00 0.00 0.00 0.00 34.13 31.88 1kma s GLU 7 CO 0.00 -0.87 1.00 0.00 0.02 0.00 0.00 175.26 175.41 1kma s PRO 9 N -3.04 3.33 0.00 0.00 0.04 -1.26 -4.93 135.00 129.14 1kma s PRO 9 Ca 0.10 0.89 -0.02 0.00 0.04 0.00 0.00 61.00 62.01 1kma s PRO 9 Cb -0.00 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 1kma s PRO 9 CO -0.03 -0.79 2.35 0.54 0.04 0.00 0.00 177.00 179.12 1kma n ARG 10 N -2.75 1.23 -2.02 4.56 1.74 -1.26 -4.90 116.66 113.26 1kma n ARG 10 Ca 0.07 -0.31 -0.42 0.00 -0.77 0.00 0.00 57.85 56.42 1kma n ARG 10 Cb 0.54 -1.35 -0.03 0.00 -1.02 0.00 0.00 32.46 30.60 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 0.49 3.66 -0.22 7.54 0.00 -1.26 -4.94 121.76 127.04 1kma s ALA 11 Ca 0.21 1.14 -0.02 0.00 0.00 0.00 0.00 51.96 53.29 1kma s ALA 11 Cb 0.10 -3.65 0.06 0.00 0.00 0.00 0.00 23.12 19.63 1kma s ALA 11 CO 0.00 -0.97 2.40 1.28 0.00 0.00 0.00 175.76 178.46 1kma n LEU 12 N 5.19 6.01 -3.48 0.00 7.99 -1.25 -4.03 117.00 127.42 1kma n LEU 12 Ca 0.15 -3.21 -0.40 0.00 -0.01 0.00 0.00 56.01 52.54 1kma n LEU 12 Cb 0.41 -1.16 -0.01 0.00 -0.11 0.00 0.00 43.42 42.54 1kma n LEU 12 CO 0.61 1.34 2.89 1.41 -1.51 0.00 0.00 177.39 182.13 1kma n HIS 13 N 1.06 2.71 -1.66 -1.77 8.25 0.11 -4.91 115.22 119.00 1kma n HIS 13 Ca 0.28 -2.98 -0.43 0.00 -0.26 0.00 0.00 57.72 54.33 1kma n HIS 13 Cb 0.60 -2.29 -0.01 0.00 1.12 0.00 0.00 29.99 29.42 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 3.58 1.82 -4.12 -0.41 1.74 -0.89 -3.97 116.66 114.41 1kma n ARG 14 Ca 0.66 0.64 -0.14 0.00 -0.77 0.00 0.00 57.85 58.24 1kma n ARG 14 Cb 0.28 -2.15 -0.05 0.00 -1.02 0.00 0.00 32.46 29.51 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 -1.10 0.00 0.06 1.55 -7.23 -0.30 -3.94 120.40 109.44 1kma s VAL 15 Ca 0.57 -1.68 0.07 0.00 -1.81 0.00 0.00 61.98 59.13 1kma s VAL 15 Cb -0.61 -2.55 -0.03 0.00 0.56 0.00 0.00 36.38 33.75 1kma s VAL 15 CO 0.61 0.00 -0.20 0.00 -0.31 0.00 0.00 175.10 175.20 1kma s GLY 17 N -1.34 1.51 0.30 0.00 0.00 -0.43 -4.00 107.32 103.36 1kma s GLY 17 Ca 0.06 -1.18 0.13 0.00 0.00 0.00 0.00 44.72 43.74 1kma s GLY 17 CO 0.02 -1.07 1.31 -1.14 0.00 0.00 0.00 173.10 172.23 1kma n SER 18 N -1.83 0.35 0.17 1.64 3.41 -1.10 -0.31 113.62 115.95 1kma n SER 18 Ca -0.01 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.29 1kma n SER 18 Cb 0.57 -0.54 0.60 0.00 -0.26 0.00 0.00 64.21 64.58 1kma n SER 18 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1kma h ASP 19 N 0.00 0.00 0.00 4.04 5.19 -1.92 -3.46 116.42 120.27 1kma h ASP 19 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1kma h ASP 19 Cb 0.49 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.00 1kma h ASP 19 CO 0.00 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 1kma n GLY 20 N -0.79 2.86 3.63 2.75 0.00 0.58 -5.01 105.19 109.21 1kma n GLY 20 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.92 6.70 0.44 1.61 3.84 -1.23 -4.55 114.94 117.84 1kma s ASN 21 Ca 0.00 1.15 -0.25 0.00 0.21 0.00 0.00 52.86 53.97 1kma s ASN 21 Cb 0.00 -2.54 -0.08 0.00 -0.55 0.00 0.00 41.25 38.08 1kma s ASN 21 CO 0.00 -1.07 1.29 -0.89 -2.79 0.00 0.00 177.10 173.64 1kma s THR 22 N 4.30 2.62 0.09 -5.21 2.01 -1.26 -1.31 115.64 116.88 1kma s THR 22 Ca 0.55 0.52 0.10 0.00 0.31 0.00 0.00 61.69 63.17 1kma s THR 22 Cb -0.16 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 69.02 1kma s THR 22 CO 0.23 0.05 -0.25 -0.31 -0.69 0.00 0.00 174.62 173.65 1kma s TYR 23 N -1.32 2.18 0.59 4.92 1.51 0.12 -4.92 117.35 120.44 1kma s TYR 23 Ca 0.60 -0.40 0.35 0.00 -1.01 0.00 0.00 57.07 56.61 1kma s TYR 23 Cb -0.37 -1.24 1.99 0.00 -0.11 0.00 0.00 41.96 42.23 1kma s TYR 23 CO 0.46 0.22 2.28 0.77 -1.11 0.00 0.00 175.55 178.17 1kma h SER 24 N 4.35 0.00 -4.86 2.29 0.02 -1.88 -0.79 113.55 112.68 1kma h SER 24 Ca -0.48 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 60.53 1kma h SER 24 Cb 1.16 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.57 1kma h SER 24 CO 0.41 0.01 0.35 0.54 -1.14 0.00 0.00 176.83 177.01 1kma s ASN 25 N -5.83 -0.44 0.26 3.07 2.20 -1.25 -0.72 114.94 112.23 1kma s ASN 25 Ca -0.05 -0.05 0.24 0.00 -0.94 0.00 0.00 52.86 52.05 1kma s ASN 25 Cb 0.14 0.50 0.98 0.00 -2.00 0.00 0.00 41.25 40.87 1kma s ASN 25 CO 0.51 -0.83 1.71 -0.81 -2.94 0.00 0.00 177.10 174.74 1kma n PRO 26 N -0.33 0.20 -0.18 3.55 -0.04 -1.26 -2.16 135.00 134.78 1kma n PRO 26 Ca -0.12 0.42 -0.11 0.00 -0.04 0.00 0.00 63.50 63.65 1kma n PRO 26 Cb 0.63 -1.87 0.01 0.00 -0.04 0.00 0.00 33.50 32.23 1kma n PRO 26 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kma h MET 28 N 0.89 1.10 0.54 0.00 2.86 -1.81 0.25 114.93 118.76 1kma h MET 28 Ca 0.13 -0.29 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 1kma h MET 28 Cb 0.73 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.26 1kma h MET 28 CO 0.06 1.00 -0.32 1.25 1.06 0.00 0.00 176.91 179.96 1kma h LEU 29 N 1.03 -0.79 -1.73 1.22 6.46 -1.50 -0.80 115.31 119.20 1kma h LEU 29 Ca 0.20 0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 58.00 1kma h LEU 29 Cb 0.43 0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.57 1kma h LEU 29 CO 0.01 -0.50 0.14 0.00 -0.62 0.00 0.00 178.44 177.48 1kma h THR 30 N -0.80 1.07 0.04 1.05 1.03 -0.87 0.20 112.91 114.63 1kma h THR 30 Ca -0.07 -0.16 -0.00 0.00 -0.01 0.00 0.00 66.41 66.16 1kma h THR 30 Cb 0.63 0.74 -0.00 0.00 -1.07 0.00 0.00 68.15 68.45 1kma h THR 30 CO 0.09 0.07 -0.05 0.00 -0.01 0.00 0.00 175.52 175.62 1kma n ALA 32 N -2.35 -0.01 0.04 0.00 0.00 -0.31 0.18 120.51 118.06 1kma n ALA 32 Ca -0.01 0.93 -0.11 0.00 0.00 0.00 0.00 53.44 54.24 1kma n ALA 32 Cb 0.04 -0.46 -0.07 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 -0.46 0.00 0.00 3.64 -0.46 0.23 116.57 119.52 1kma h LYS 33 Ca 0.35 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.72 1kma h LYS 33 Cb 0.57 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 1kma h LYS 33 CO -0.90 -0.31 -0.20 0.45 -2.27 0.00 0.00 179.45 176.22 1kma h HIS 34 N -0.48 0.00 0.40 1.91 3.86 -0.45 -1.18 115.15 119.22 1kma h HIS 34 Ca 0.01 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1kma h HIS 34 Cb 0.51 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.98 1kma h HIS 34 CO -0.46 0.20 -0.19 1.49 0.86 0.00 0.00 177.93 179.83 1kma h GLU 35 N 0.00 -0.51 0.00 2.45 4.22 0.48 -3.45 114.58 117.77 1kma h GLU 35 Ca -0.00 0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.46 1kma h GLU 35 Cb 0.50 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1kma h GLU 35 CO 0.03 -0.22 -0.03 0.41 -2.18 0.00 0.00 179.01 177.02 1kma n GLY 36 N 0.03 0.63 2.65 1.92 0.00 0.68 -4.78 105.19 106.32 1kma n GLY 36 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 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 3.31 0.28 1.61 2.85 -0.44 -4.94 115.26 117.93 1kma n ASN 37 Ca -0.03 -3.44 0.19 0.00 -0.11 0.00 0.00 54.58 51.19 1kma n ASN 37 Cb 0.38 -0.60 0.98 0.00 1.24 0.00 0.00 39.78 41.78 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 3.24 0.00 0.00 1.20 0.13 -1.83 -0.62 132.00 134.12 1kma h PRO 38 Ca 0.13 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.19 1kma h PRO 38 Cb 0.65 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 1kma h PRO 38 CO 0.73 0.00 -0.33 0.22 -0.23 0.00 0.00 178.00 178.39 1kma h ASP 39 N 0.00 0.00 -4.14 1.44 3.58 -1.92 -3.46 116.42 111.92 1kma h ASP 39 Ca 0.00 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.93 1kma h ASP 39 Cb 0.05 0.00 0.12 0.00 1.72 0.00 0.00 39.33 41.22 1kma h ASP 39 CO 0.00 0.33 0.42 -0.22 -2.88 0.00 0.00 179.24 176.89 1kma s LEU 40 N -6.39 3.51 0.15 2.28 2.96 -0.24 -4.91 118.68 116.05 1kma s LEU 40 Ca 0.05 2.25 -0.18 0.00 -0.22 0.00 0.00 54.13 56.02 1kma s LEU 40 Cb 0.07 -4.58 0.04 0.00 0.50 0.00 0.00 46.19 42.22 1kma s LEU 40 CO 0.72 -1.72 0.49 0.68 -1.32 0.00 0.00 176.35 175.20 1kma s VAL 41 N -1.92 0.04 -1.23 1.68 -7.23 -1.26 -4.97 120.40 105.51 1kma s VAL 41 Ca 0.73 -0.46 -0.20 0.00 -1.81 0.00 0.00 61.98 60.24 1kma s VAL 41 Cb -0.26 -1.22 0.00 0.00 0.56 0.00 0.00 36.38 35.46 1kma s VAL 41 CO 0.37 -0.17 1.81 -1.58 -0.31 0.00 0.00 175.10 175.22 1kma s GLN 42 N -3.81 3.35 0.27 4.82 2.00 -1.26 -2.70 119.66 122.33 1kma s GLN 42 Ca 0.04 -1.59 -0.00 0.00 -2.00 0.00 0.00 55.36 51.81 1kma s GLN 42 Cb 0.00 -5.40 0.52 0.00 0.80 0.00 0.00 33.01 28.93 1kma s GLN 42 CO -0.10 -2.96 1.81 -0.39 -0.50 0.00 0.00 175.29 173.15 1kma h VAL 43 N 5.91 0.88 -2.33 1.34 -1.51 -1.90 -3.43 116.25 115.21 1kma h VAL 43 Ca 0.34 -0.30 -0.08 0.00 -1.23 0.00 0.00 66.70 65.43 1kma h VAL 43 Cb 0.91 -0.07 -0.21 0.00 -2.13 0.00 0.00 31.29 29.78 1kma h VAL 43 CO 1.36 0.16 -0.01 -1.00 -1.23 0.00 0.00 177.57 176.85 1kma s HIS 44 N -5.97 -0.60 -0.87 5.19 3.76 -1.26 -5.04 115.29 110.49 1kma s HIS 44 Ca -0.12 1.35 -0.07 0.00 -0.15 0.00 0.00 55.06 56.07 1kma s HIS 44 Cb 0.22 0.25 -0.06 0.00 1.11 0.00 0.00 32.58 34.09 1kma s HIS 44 CO 0.80 -0.38 2.97 -1.91 -0.85 0.00 0.00 174.74 175.37 1kma n GLU 45 N 2.24 3.19 -3.51 1.40 2.13 -1.26 -3.44 120.64 121.38 1kma n GLU 45 Ca -0.16 -2.21 -0.09 0.00 0.66 0.00 0.00 57.16 55.37 1kma n GLU 45 Cb 0.56 -2.41 -0.03 0.00 0.27 0.00 0.00 31.44 29.84 1kma n GLU 45 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1kma s GLY 46 N 1.32 -0.46 0.46 8.31 0.00 -1.26 -4.84 107.32 110.85 1kma s GLY 46 Ca 0.63 1.12 -0.15 0.00 0.00 0.00 0.00 44.72 46.31 1kma s GLY 46 CO -0.09 0.43 0.90 2.56 0.00 0.00 0.00 173.10 176.91 1kma s PRO 47 N -2.84 3.95 -0.17 2.90 0.04 -1.25 -0.86 135.00 136.77 1kma s PRO 47 Ca 0.03 0.83 -0.18 0.00 0.04 0.00 0.00 61.00 61.71 1kma s PRO 47 Cb -0.01 -2.24 -0.15 0.00 0.04 0.00 0.00 34.50 32.14 1kma s PRO 47 CO -0.07 -0.13 0.24 0.00 0.04 0.00 0.00 177.00 177.07 1kma s ASP 49 N -6.34 7.36 0.33 0.00 1.01 -1.26 -5.05 116.67 112.72 1kma s ASP 49 Ca -0.21 2.14 -0.10 0.00 0.71 0.00 0.00 52.55 55.09 1kma s ASP 49 Cb 0.02 -2.62 0.02 0.00 1.01 0.00 0.00 42.92 41.36 1kma s ASP 49 CO 0.48 -0.09 0.60 -1.83 0.21 0.00 0.00 175.17 174.53 1kma s GLU 50 N -1.06 1.93 0.00 8.23 -1.05 -1.26 -4.99 118.70 120.49 1kma s GLU 50 Ca 0.45 -1.49 0.00 0.00 -0.15 0.00 0.00 54.97 53.78 1kma s GLU 50 Cb -0.30 0.52 0.00 0.00 -0.44 0.00 0.00 34.13 33.91 1kma s GLU 50 CO 0.37 -0.84 0.00 1.58 0.95 0.00 0.00 175.26 177.32 1kma n HIS 51 N -0.51 0.00 -2.40 4.83 -0.00 -1.26 -5.13 115.22 110.75 1kma n HIS 51 Ca -0.03 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.26 1kma n HIS 51 Cb 0.61 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.58 1kma n HIS 51 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1kma s ASP 52 N 0.00 6.69 -0.53 0.26 1.01 -1.26 -4.95 116.67 117.89 1kma s ASP 52 Ca 0.00 1.28 0.06 0.00 0.71 0.00 0.00 52.55 54.60 1kma s ASP 52 Cb 0.00 -2.54 0.20 0.00 1.01 0.00 0.00 42.92 41.59 1kma s ASP 52 CO 0.00 -1.05 0.50 1.41 0.21 0.00 0.00 175.17 176.24 1kma n HIS 53 N 7.56 1.22 0.06 4.23 8.25 -1.26 -4.95 115.22 130.32 1kma n HIS 53 Ca 0.15 -3.80 -0.03 0.00 -0.26 0.00 0.00 57.72 53.78 1kma n HIS 53 Cb 0.46 -0.27 0.22 0.00 1.12 0.00 0.00 29.99 31.52 1kma n HIS 53 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 1kma h ASP 54 N 4.90 0.37 0.00 0.41 3.58 -2.09 -3.58 116.42 120.01 1kma h ASP 54 Ca 0.18 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1kma h ASP 54 Cb 0.81 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.76 1kma h ASP 54 CO 0.58 0.67 0.00 0.33 -2.88 0.00 0.00 179.24 177.94