#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 -0.99 -1.08 6.02 -1.26 -5.01 117.38 115.06 1kma n GLN 2 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 1kma n GLN 2 Cb 0.00 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.10 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 -0.75 3.00 2.02 1.08 0.00 -1.26 -1.95 105.19 107.32 1kma n GLY 3 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1kma n GLY 3 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kma n ASN 4 N 2.57 -0.40 0.22 1.61 5.15 -1.26 -4.87 115.26 118.28 1kma n ASN 4 Ca 0.44 0.22 0.10 0.00 -0.60 0.00 0.00 54.58 54.73 1kma n ASN 4 Cb 0.86 0.51 0.65 0.00 -0.53 0.00 0.00 39.78 41.27 1kma n ASN 4 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1kma h PRO 5 N 0.00 0.00 -4.64 1.20 0.13 -1.84 -3.41 132.00 123.44 1kma h PRO 5 Ca 0.00 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.45 1kma h PRO 5 Cb 0.00 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 30.76 1kma h PRO 5 CO 0.00 0.00 -0.67 0.00 -0.23 0.00 0.00 178.00 177.10 1kma n GLU 7 N 4.43 -0.68 -1.61 0.00 1.02 -1.26 -4.62 120.64 117.92 1kma n GLU 7 Ca -0.02 -0.34 -0.30 0.00 -0.02 0.00 0.00 57.16 56.48 1kma n GLU 7 Cb 0.42 -0.84 0.09 0.00 -0.02 0.00 0.00 31.44 31.09 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 -5.22 2.41 -0.20 0.00 0.04 -1.26 -4.95 135.00 125.82 1kma s PRO 9 Ca 0.61 0.29 -0.02 0.00 0.04 0.00 0.00 61.00 61.91 1kma s PRO 9 Cb -0.14 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.45 1kma s PRO 9 CO 0.53 -1.32 2.46 0.54 0.04 0.00 0.00 177.00 179.26 1kma n ARG 10 N -3.16 1.75 -2.02 4.56 1.74 -1.26 -4.91 116.66 113.35 1kma n ARG 10 Ca 0.07 -1.20 -0.42 0.00 -0.77 0.00 0.00 57.85 55.53 1kma n ARG 10 Cb 0.59 -1.63 -0.03 0.00 -1.02 0.00 0.00 32.46 30.37 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 -0.79 3.65 -0.20 7.54 0.00 -1.26 -4.93 121.76 125.77 1kma s ALA 11 Ca 0.35 1.11 -0.02 0.00 0.00 0.00 0.00 51.96 53.40 1kma s ALA 11 Cb 0.22 -3.67 0.04 0.00 0.00 0.00 0.00 23.12 19.72 1kma s ALA 11 CO -0.05 -1.05 2.42 1.28 0.00 0.00 0.00 175.76 178.37 1kma n LEU 12 N 5.55 5.94 -3.77 0.00 7.99 -1.26 -4.23 117.00 127.22 1kma n LEU 12 Ca 0.15 -3.16 -0.42 0.00 -0.01 0.00 0.00 56.01 52.57 1kma n LEU 12 Cb 0.41 -1.17 -0.01 0.00 -0.11 0.00 0.00 43.42 42.54 1kma n LEU 12 CO 0.61 1.34 2.54 1.41 -1.51 0.00 0.00 177.39 181.78 1kma n HIS 13 N 1.14 3.30 -1.64 -1.77 8.25 -0.79 -4.94 115.22 118.77 1kma n HIS 13 Ca 0.27 -2.75 -0.48 0.00 -0.26 0.00 0.00 57.72 54.50 1kma n HIS 13 Cb 0.61 -2.42 -0.05 0.00 1.12 0.00 0.00 29.99 29.26 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 6.40 1.81 -4.21 -0.41 5.12 -1.08 -3.70 116.66 120.60 1kma n ARG 14 Ca 0.51 0.65 -0.12 0.00 -1.93 0.00 0.00 57.85 56.97 1kma n ARG 14 Cb 0.40 -2.37 -0.10 0.00 -1.16 0.00 0.00 32.46 29.23 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 0.67 0.62 -0.14 1.55 -7.23 0.19 -2.74 120.40 113.32 1kma s VAL 15 Ca 0.79 -1.96 -0.06 0.00 -1.81 0.00 0.00 61.98 58.95 1kma s VAL 15 Cb -0.76 -1.96 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 1kma s VAL 15 CO 0.42 -0.62 0.06 0.00 -0.31 0.00 0.00 175.10 174.65 1kma s GLY 17 N -0.33 1.52 0.43 0.00 0.00 0.26 -4.28 107.32 104.91 1kma s GLY 17 Ca 0.09 -1.18 0.28 0.00 0.00 0.00 0.00 44.72 43.91 1kma s GLY 17 CO 0.02 -1.06 1.63 1.48 0.00 0.00 0.00 173.10 175.16 1kma h SER 18 N 0.65 0.27 0.09 1.64 4.64 -1.85 -0.35 113.55 118.64 1kma h SER 18 Ca -0.47 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1kma h SER 18 Cb 1.25 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1kma h SER 18 CO 0.57 -0.19 0.00 0.47 -0.87 0.00 0.00 176.83 176.80 1kma n ASP 19 N -4.75 0.00 0.00 4.97 8.00 -1.26 -4.78 116.55 118.73 1kma n ASP 19 Ca 0.37 -0.44 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1kma n ASP 19 Cb 1.38 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 42.41 1kma n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kma n GLY 20 N 0.23 1.57 3.56 0.44 0.00 -0.18 -5.00 105.19 105.80 1kma n GLY 20 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.19 4.88 0.44 1.61 3.84 -0.94 -4.20 114.94 117.38 1kma s ASN 21 Ca 0.00 -0.48 -0.25 0.00 0.21 0.00 0.00 52.86 52.35 1kma s ASN 21 Cb 0.00 -2.56 -0.08 0.00 -0.55 0.00 0.00 41.25 38.07 1kma s ASN 21 CO 0.00 -2.97 1.28 -0.89 -2.79 0.00 0.00 177.10 171.73 1kma s THR 22 N 11.03 2.65 0.16 -5.21 2.01 -1.26 -0.58 115.64 124.44 1kma s THR 22 Ca 0.75 0.54 0.06 0.00 0.31 0.00 0.00 61.69 63.35 1kma s THR 22 Cb -0.08 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 1kma s THR 22 CO 0.02 0.05 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.56 1kma s TYR 23 N -1.34 1.46 0.51 4.92 1.51 0.13 -4.92 117.35 119.63 1kma s TYR 23 Ca 0.61 -0.63 0.20 0.00 -1.01 0.00 0.00 57.07 56.23 1kma s TYR 23 Cb -0.36 -0.72 1.34 0.00 -0.11 0.00 0.00 41.96 42.11 1kma s TYR 23 CO 0.45 0.20 2.13 1.03 -1.11 0.00 0.00 175.55 178.25 1kma h SER 24 N 2.93 0.00 -4.88 2.29 0.87 -1.88 0.56 113.55 113.44 1kma h SER 24 Ca -0.38 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.24 1kma h SER 24 Cb 1.20 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 63.04 1kma h SER 24 CO 0.59 0.06 0.36 0.54 -0.53 0.00 0.00 176.83 177.85 1kma s ASN 25 N -6.77 -0.41 0.34 6.23 2.20 -1.24 -1.89 114.94 113.39 1kma s ASN 25 Ca -0.05 -0.09 0.27 0.00 -0.94 0.00 0.00 52.86 52.05 1kma s ASN 25 Cb 0.16 0.51 0.95 0.00 -2.00 0.00 0.00 41.25 40.86 1kma s ASN 25 CO 0.64 -0.84 1.78 1.55 -2.94 0.00 0.00 177.10 177.29 1kma h PRO 26 N 2.00 0.00 -0.29 3.55 0.13 -1.88 -2.66 132.00 132.86 1kma h PRO 26 Ca -0.27 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.83 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 0.32 0.00 0.06 0.00 -0.23 0.00 0.00 178.00 178.15 1kma h MET 28 N 0.29 1.01 0.17 0.00 2.86 -1.85 0.30 114.93 117.71 1kma h MET 28 Ca 0.09 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1kma h MET 28 Cb 0.31 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 1kma h MET 28 CO 0.00 0.67 -0.14 1.25 1.06 0.00 0.00 176.91 179.75 1kma h LEU 29 N 1.04 -0.39 -1.63 1.22 6.46 -1.41 -0.82 115.31 119.79 1kma h LEU 29 Ca 0.36 0.03 0.02 0.00 -0.12 0.00 0.00 57.88 58.16 1kma h LEU 29 Cb 0.06 0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.10 1kma h LEU 29 CO -0.14 -0.20 0.27 0.00 -0.62 0.00 0.00 178.44 177.76 1kma h THR 30 N -0.30 1.07 0.00 1.05 1.03 -0.76 0.18 112.91 115.19 1kma h THR 30 Ca -0.02 -0.17 0.00 0.00 -0.01 0.00 0.00 66.41 66.21 1kma h THR 30 Cb 0.26 0.52 0.00 0.00 -1.07 0.00 0.00 68.15 67.86 1kma h THR 30 CO -0.00 0.09 0.00 0.00 -0.01 0.00 0.00 175.52 175.60 1kma n ALA 32 N -2.18 -0.06 0.03 0.00 0.00 -0.32 0.21 120.51 118.20 1kma n ALA 32 Ca 0.00 0.82 -0.10 0.00 0.00 0.00 0.00 53.44 54.17 1kma n ALA 32 Cb 0.00 -0.39 -0.06 0.00 0.00 0.00 0.00 19.45 19.00 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 -0.39 0.00 0.00 3.64 -0.46 0.25 116.57 119.61 1kma h LYS 33 Ca 0.30 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1kma h LYS 33 Cb 0.50 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1kma h LYS 33 CO -0.81 -0.26 0.00 0.45 -2.27 0.00 0.00 179.45 176.56 1kma h HIS 34 N -0.41 0.00 0.00 1.91 3.86 -0.10 -1.59 115.15 118.83 1kma h HIS 34 Ca 0.01 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1kma h HIS 34 Cb 0.44 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.91 1kma h HIS 34 CO -0.46 0.00 -0.03 1.49 0.86 0.00 0.00 177.93 179.80 1kma h GLU 35 N 0.00 0.00 0.00 2.45 4.22 0.72 -3.47 114.58 118.50 1kma h GLU 35 Ca 0.00 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.35 1kma h GLU 35 Cb 0.29 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.44 1kma h GLU 35 CO 0.00 0.04 -0.21 0.41 -2.18 0.00 0.00 179.01 177.07 1kma n GLY 36 N 1.77 0.47 2.37 1.92 0.00 0.79 -4.76 105.19 107.75 1kma n GLY 36 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 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 2.03 0.31 1.61 2.85 -0.56 -4.95 115.26 116.56 1kma n ASN 37 Ca -0.20 -3.13 0.21 0.00 -0.11 0.00 0.00 54.58 51.35 1kma n ASN 37 Cb 0.61 -0.63 1.08 0.00 1.24 0.00 0.00 39.78 42.08 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 3.70 0.00 0.00 1.20 0.13 -1.86 -0.98 132.00 134.20 1kma h PRO 38 Ca 0.12 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.15 1kma h PRO 38 Cb 0.77 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.89 1kma h PRO 38 CO 0.64 0.00 -0.51 -0.44 -0.23 0.00 0.00 178.00 177.46 1kma h ASP 39 N 0.00 0.00 -4.19 1.44 5.19 -1.92 -3.46 116.42 113.48 1kma h ASP 39 Ca 0.00 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 55.89 1kma h ASP 39 Cb 0.08 0.00 0.13 0.00 0.18 0.00 0.00 39.33 39.71 1kma h ASP 39 CO 0.00 0.51 0.38 -0.22 -3.12 0.00 0.00 179.24 176.79 1kma s LEU 40 N -6.66 3.36 0.04 1.55 2.96 -0.37 -5.01 118.68 114.56 1kma s LEU 40 Ca 0.02 2.16 -0.15 0.00 -0.22 0.00 0.00 54.13 55.94 1kma s LEU 40 Cb 0.09 -4.57 0.03 0.00 0.50 0.00 0.00 46.19 42.23 1kma s LEU 40 CO 0.73 -1.91 0.34 0.68 -1.32 0.00 0.00 176.35 174.87 1kma s VAL 41 N -2.17 0.07 -1.06 1.68 -7.23 -1.26 -4.98 120.40 105.45 1kma s VAL 41 Ca 0.70 -0.60 -0.23 0.00 -1.81 0.00 0.00 61.98 60.05 1kma s VAL 41 Cb -0.24 -0.93 -0.00 0.00 0.56 0.00 0.00 36.38 35.77 1kma s VAL 41 CO 0.43 -0.33 1.74 -1.58 -0.31 0.00 0.00 175.10 175.04 1kma s GLN 42 N -2.48 3.15 0.11 4.82 2.00 -1.26 -3.76 119.66 122.24 1kma s GLN 42 Ca -0.05 -1.03 -0.27 0.00 -2.00 0.00 0.00 55.36 52.01 1kma s GLN 42 Cb -0.01 -5.28 -0.10 0.00 0.80 0.00 0.00 33.01 28.42 1kma s GLN 42 CO -0.03 -2.88 1.65 -0.39 -0.50 0.00 0.00 175.29 173.14 1kma h VAL 43 N 6.62 0.51 -2.29 1.34 -1.51 -1.93 -3.48 116.25 115.50 1kma h VAL 43 Ca 0.22 0.00 0.04 0.00 -1.23 0.00 0.00 66.70 65.72 1kma h VAL 43 Cb 0.97 0.51 -0.01 0.00 -2.13 0.00 0.00 31.29 30.63 1kma h VAL 43 CO 1.33 0.00 0.24 1.57 -1.23 0.00 0.00 177.57 179.48 1kma n HIS 44 N -5.35 -1.33 -1.94 5.19 -0.00 -1.26 -5.10 115.22 105.44 1kma n HIS 44 Ca -0.07 -0.82 -0.14 0.00 -0.00 0.00 0.00 57.72 56.69 1kma n HIS 44 Cb 0.26 0.40 0.08 0.00 -0.00 0.00 0.00 29.99 30.74 1kma n HIS 44 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 1kma n GLU 45 N -0.34 -0.23 -0.35 1.57 2.13 -1.26 -4.48 120.64 117.67 1kma n GLU 45 Ca -0.03 -1.23 0.00 0.00 0.66 0.00 0.00 57.16 56.56 1kma n GLU 45 Cb 0.31 -0.53 0.00 0.00 0.27 0.00 0.00 31.44 31.49 1kma n GLU 45 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1kma n GLY 46 N 0.75 -3.29 3.82 8.31 0.00 -1.24 -4.51 105.19 109.03 1kma n GLY 46 Ca 0.09 -1.10 -0.35 0.00 0.00 0.00 0.00 46.02 44.66 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 -5.22 4.27 -0.04 1.61 0.04 -1.11 -0.20 135.00 134.35 1kma s PRO 47 Ca 0.00 0.98 -0.04 0.00 0.04 0.00 0.00 61.00 61.98 1kma s PRO 47 Cb 0.00 -2.62 -0.28 0.00 0.04 0.00 0.00 34.50 31.65 1kma s PRO 47 CO 0.00 0.23 0.70 0.00 0.04 0.00 0.00 177.00 177.96 1kma s ASP 49 N -6.96 6.39 -0.20 0.00 2.15 -1.26 -5.04 116.67 111.75 1kma s ASP 49 Ca -0.13 3.01 -0.11 0.00 0.43 0.00 0.00 52.55 55.75 1kma s ASP 49 Cb 0.07 -2.67 0.06 0.00 -0.30 0.00 0.00 42.92 40.08 1kma s ASP 49 CO 0.83 -0.84 0.48 -0.70 -0.17 0.00 0.00 175.17 174.78 1kma s GLU 50 N -2.04 0.48 0.10 4.34 2.12 -1.26 -5.06 118.70 117.37 1kma s GLU 50 Ca 0.52 0.91 0.00 0.00 0.36 0.00 0.00 54.97 56.76 1kma s GLU 50 Cb -0.46 0.02 0.00 0.00 0.26 0.00 0.00 34.13 33.95 1kma s GLU 50 CO 0.62 -0.16 0.00 1.58 -0.54 0.00 0.00 175.26 176.76 1kma n HIS 51 N 4.29 -2.16 -3.68 5.30 -0.00 -1.26 -5.16 115.22 112.54 1kma n HIS 51 Ca -0.22 0.30 0.00 0.00 0.46 0.00 0.00 57.72 58.26 1kma n HIS 51 Cb 0.56 1.06 -0.00 0.00 -0.12 0.00 0.00 29.99 31.49 1kma n HIS 51 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 1kma s ASP 52 N -2.34 -0.08 -0.94 0.26 -1.08 -1.26 -5.08 116.67 106.15 1kma s ASP 52 Ca 0.00 -0.22 -0.01 0.00 -0.52 0.00 0.00 52.55 51.80 1kma s ASP 52 Cb 0.00 0.25 0.29 0.00 -1.46 0.00 0.00 42.92 42.00 1kma s ASP 52 CO 0.00 -0.46 1.26 1.57 0.52 0.00 0.00 175.17 178.06 1kma n HIS 53 N -0.52 2.69 -1.23 -5.34 -0.00 -1.26 -5.06 115.22 104.50 1kma n HIS 53 Ca -0.07 -3.08 -0.32 0.00 -0.00 0.00 0.00 57.72 54.25 1kma n HIS 53 Cb 0.62 -1.03 0.10 0.00 -0.00 0.00 0.00 29.99 29.69 1kma n HIS 53 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1kma s ASP 54 N -2.04 4.11 0.00 0.26 1.01 -1.26 -5.35 116.67 113.41 1kma s ASP 54 Ca 0.34 2.06 0.00 0.00 0.71 0.00 0.00 52.55 55.66 1kma s ASP 54 Cb 0.09 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.46 1kma s ASP 54 CO 0.07 -2.31 0.00 0.33 0.21 0.00 0.00 175.17 173.47