#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kma s GLN 2 N 0.00 1.22 0.00 3.97 0.74 -1.26 -4.98 119.66 119.35 1kma s GLN 2 Ca 0.00 -0.56 0.00 0.00 0.05 0.00 0.00 55.36 54.85 1kma s GLN 2 Cb 0.00 0.55 0.00 0.00 1.10 0.00 0.00 33.01 34.66 1kma s GLN 2 CO 0.00 -0.52 0.00 0.41 -0.55 0.00 0.00 175.29 174.63 1kma n GLY 3 N -0.33 1.21 0.18 2.59 0.00 -1.26 -4.46 105.19 103.12 1kma n GLY 3 Ca -0.16 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 1kma n GLY 3 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1kma h ASN 4 N 0.00 0.52 0.64 1.61 4.21 -2.00 -1.94 115.58 118.61 1kma h ASN 4 Ca 0.00 -0.18 -0.03 0.00 1.21 0.00 0.00 56.30 57.30 1kma h ASN 4 Cb 0.00 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.06 1kma h ASN 4 CO 0.00 0.56 -0.44 1.55 -1.29 0.00 0.00 177.43 177.81 1kma h PRO 5 N 0.44 -0.98 -2.66 0.81 0.13 -1.87 -3.30 132.00 124.57 1kma h PRO 5 Ca 0.12 0.07 -0.69 0.00 -0.87 0.00 0.00 66.00 64.62 1kma h PRO 5 Cb 0.21 0.22 -0.09 0.00 0.13 0.00 0.00 31.00 31.48 1kma h PRO 5 CO -0.01 -0.65 2.58 0.00 -0.23 0.00 0.00 178.00 179.69 1kma n GLU 7 N 2.15 0.06 -1.76 0.00 0.28 -0.74 -4.72 120.64 115.91 1kma n GLU 7 Ca 0.65 0.06 -0.30 0.00 -0.16 0.00 0.00 57.16 57.41 1kma n GLU 7 Cb 0.28 -1.57 0.06 0.00 1.43 0.00 0.00 31.44 31.64 1kma n GLU 7 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1kma s PRO 9 N -5.29 2.94 0.00 0.00 0.04 -1.26 -4.96 135.00 126.48 1kma s PRO 9 Ca 0.59 0.19 -0.02 0.00 0.04 0.00 0.00 61.00 61.79 1kma s PRO 9 Cb -0.12 -2.18 -0.10 0.00 0.04 0.00 0.00 34.50 32.13 1kma s PRO 9 CO 0.53 -0.79 2.59 0.54 0.04 0.00 0.00 177.00 179.90 1kma n ARG 10 N -2.72 1.36 -2.02 4.56 1.74 -1.26 -4.91 116.66 113.42 1kma n ARG 10 Ca 0.05 -0.38 -0.42 0.00 -0.77 0.00 0.00 57.85 56.33 1kma n ARG 10 Cb 0.57 -1.39 -0.03 0.00 -1.02 0.00 0.00 32.46 30.59 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 0.43 3.70 -0.22 7.54 0.00 -1.26 -4.94 121.76 127.01 1kma s ALA 11 Ca 0.26 1.25 -0.02 0.00 0.00 0.00 0.00 51.96 53.44 1kma s ALA 11 Cb 0.12 -3.61 0.05 0.00 0.00 0.00 0.00 23.12 19.69 1kma s ALA 11 CO 0.00 -0.78 2.45 1.28 0.00 0.00 0.00 175.76 178.71 1kma n LEU 12 N 4.27 6.00 -3.54 0.00 7.99 -1.25 -3.95 117.00 126.52 1kma n LEU 12 Ca 0.13 -3.24 -0.41 0.00 -0.01 0.00 0.00 56.01 52.49 1kma n LEU 12 Cb 0.40 -1.17 -0.01 0.00 -0.11 0.00 0.00 43.42 42.52 1kma n LEU 12 CO 0.61 1.37 2.92 1.57 -1.51 0.00 0.00 177.39 182.34 1kma n HIS 13 N 1.09 2.92 -1.71 -1.77 -0.00 0.15 -4.92 115.22 110.99 1kma n HIS 13 Ca 0.29 -3.00 -0.41 0.00 0.46 0.00 0.00 57.72 55.07 1kma n HIS 13 Cb 0.61 -2.42 0.01 0.00 -0.12 0.00 0.00 29.99 28.08 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 4.44 1.98 -4.17 1.57 1.74 -0.87 -3.96 116.66 117.40 1kma n ARG 14 Ca 0.63 0.71 -0.12 0.00 -0.77 0.00 0.00 57.85 58.31 1kma n ARG 14 Cb 0.31 -2.44 -0.09 0.00 -1.02 0.00 0.00 32.46 29.21 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 -1.20 0.00 -0.05 1.55 -7.23 -0.36 -2.94 120.40 110.16 1kma s VAL 15 Ca 0.61 -1.91 0.06 0.00 -1.81 0.00 0.00 61.98 58.93 1kma s VAL 15 Cb -0.49 -2.45 -0.02 0.00 0.56 0.00 0.00 36.38 33.99 1kma s VAL 15 CO 0.58 -0.01 -0.23 0.00 -0.31 0.00 0.00 175.10 175.13 1kma s GLY 17 N -0.35 1.59 0.29 0.00 0.00 -0.12 -3.57 107.32 105.15 1kma s GLY 17 Ca 0.02 -1.02 0.15 0.00 0.00 0.00 0.00 44.72 43.87 1kma s GLY 17 CO 0.02 -0.83 1.28 -1.14 0.00 0.00 0.00 173.10 172.43 1kma n SER 18 N -2.16 0.22 0.00 1.64 3.41 -1.19 -0.62 113.62 114.93 1kma n SER 18 Ca 0.02 1.35 0.04 0.00 -0.26 0.00 0.00 58.87 60.03 1kma n SER 18 Cb 0.58 -0.63 0.25 0.00 -0.26 0.00 0.00 64.21 64.15 1kma n SER 18 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1kma n ASP 19 N -4.88 0.00 0.00 4.04 9.92 -1.26 -4.80 116.55 119.57 1kma n ASP 19 Ca 0.29 -0.13 0.00 0.00 -0.53 0.00 0.00 54.79 54.42 1kma n ASP 19 Cb 0.98 -0.10 0.00 0.00 -0.64 0.00 0.00 41.12 41.36 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 -0.47 1.86 3.55 0.44 0.00 0.21 -4.94 105.19 105.84 1kma n GLY 20 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.28 4.76 0.43 1.61 3.04 -1.15 -3.85 114.94 116.50 1kma s ASN 21 Ca 0.00 0.25 -0.25 0.00 0.04 0.00 0.00 52.86 52.90 1kma s ASN 21 Cb 0.00 -2.53 -0.08 0.00 -1.54 0.00 0.00 41.25 37.10 1kma s ASN 21 CO 0.00 -2.88 1.27 -0.89 -3.04 0.00 0.00 177.10 171.56 1kma s THR 22 N 11.21 2.71 0.24 -5.21 2.01 -1.21 -0.95 115.64 124.44 1kma s THR 22 Ca 0.81 0.60 0.12 0.00 0.31 0.00 0.00 61.69 63.52 1kma s THR 22 Cb -0.12 -3.34 -0.05 0.00 0.01 0.00 0.00 72.50 69.00 1kma s THR 22 CO 0.15 0.06 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.62 1kma s TYR 23 N -1.32 2.30 0.47 4.92 1.51 0.16 -4.94 117.35 120.45 1kma s TYR 23 Ca 0.59 -0.34 0.13 0.00 -1.01 0.00 0.00 57.07 56.45 1kma s TYR 23 Cb -0.36 -1.06 1.11 0.00 -0.11 0.00 0.00 41.96 41.55 1kma s TYR 23 CO 0.45 0.63 2.09 0.77 -1.11 0.00 0.00 175.55 178.38 1kma h SER 24 N 2.65 0.20 -4.83 2.29 0.02 -1.87 -0.96 113.55 111.06 1kma h SER 24 Ca -0.43 -0.00 0.05 0.00 -0.84 0.00 0.00 61.79 60.57 1kma h SER 24 Cb 1.24 -0.05 -0.13 0.00 0.14 0.00 0.00 62.40 63.60 1kma h SER 24 CO 0.55 0.14 0.36 0.54 -1.14 0.00 0.00 176.83 177.28 1kma s ASN 25 N -6.78 -0.45 0.28 3.07 2.20 -1.25 -0.67 114.94 111.34 1kma s ASN 25 Ca -0.06 -0.02 0.25 0.00 -0.94 0.00 0.00 52.86 52.08 1kma s ASN 25 Cb 0.18 0.49 1.00 0.00 -2.00 0.00 0.00 41.25 40.92 1kma s ASN 25 CO 0.70 -0.80 1.74 1.55 -2.94 0.00 0.00 177.10 177.35 1kma h PRO 26 N 2.00 0.00 -0.16 3.55 0.13 -1.88 -2.92 132.00 132.72 1kma h PRO 26 Ca -0.28 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.63 1kma h PRO 26 Cb 1.27 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.41 1kma h PRO 26 CO 0.34 0.00 -0.77 0.00 -0.23 0.00 0.00 178.00 177.34 1kma h MET 28 N 0.55 0.59 0.32 0.00 1.85 -1.87 0.30 114.93 116.67 1kma h MET 28 Ca -0.05 -0.15 -0.01 0.00 -0.61 0.00 0.00 59.70 58.88 1kma h MET 28 Cb 1.40 -0.07 -0.02 0.00 0.43 0.00 0.00 31.60 33.34 1kma h MET 28 CO 0.16 0.65 -0.34 1.25 -0.40 0.00 0.00 176.91 178.23 1kma h LEU 29 N 0.43 -0.93 -1.84 3.39 6.46 -1.52 0.33 115.31 121.63 1kma h LEU 29 Ca 0.11 0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 57.94 1kma h LEU 29 Cb 0.34 0.31 -0.01 0.00 -0.73 0.00 0.00 40.66 40.57 1kma h LEU 29 CO 0.01 -0.44 0.09 0.00 -0.62 0.00 0.00 178.44 177.48 1kma h THR 30 N -0.66 1.04 0.06 1.05 1.03 -0.77 0.29 112.91 114.95 1kma h THR 30 Ca -0.04 -0.09 -0.00 0.00 -0.01 0.00 0.00 66.41 66.27 1kma h THR 30 Cb 0.57 0.83 -0.00 0.00 -1.07 0.00 0.00 68.15 68.48 1kma h THR 30 CO -0.05 0.04 -0.08 0.00 -0.01 0.00 0.00 175.52 175.43 1kma h ALA 32 N -1.57 0.22 -0.40 0.00 0.00 -0.07 0.52 119.26 117.97 1kma h ALA 32 Ca -0.01 0.27 0.05 0.00 0.00 0.00 0.00 54.91 55.22 1kma h ALA 32 Cb 0.13 0.89 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 1kma h ALA 32 CO -0.02 -0.58 -0.49 -0.22 0.00 0.00 0.00 179.25 177.94 1kma h LYS 33 N -0.04 -0.31 0.00 0.00 3.64 -0.32 0.37 116.57 119.91 1kma h LYS 33 Ca 0.35 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.70 1kma h LYS 33 Cb 0.61 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 1kma h LYS 33 CO -0.91 -0.21 -0.24 0.45 -2.27 0.00 0.00 179.45 176.27 1kma h HIS 34 N -0.32 0.00 0.00 1.91 3.86 -0.21 -1.27 115.15 119.12 1kma h HIS 34 Ca 0.07 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.15 1kma h HIS 34 Cb 0.51 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.96 1kma h HIS 34 CO -0.74 0.24 -0.61 1.49 0.86 0.00 0.00 177.93 179.17 1kma h GLU 35 N 0.00 0.00 0.00 2.45 4.81 0.17 -3.45 114.58 118.56 1kma h GLU 35 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1kma h GLU 35 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1kma h GLU 35 CO 0.03 0.61 0.00 0.41 -0.73 0.00 0.00 179.01 179.34 1kma n GLY 36 N 1.22 0.00 2.55 1.92 0.00 0.11 -4.80 105.19 106.20 1kma n GLY 36 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 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 2.60 0.29 1.61 2.85 -0.39 -4.96 115.26 117.26 1kma n ASN 37 Ca 0.00 -3.20 0.18 0.00 -0.11 0.00 0.00 54.58 51.45 1kma n ASN 37 Cb 0.00 -0.54 0.98 0.00 1.24 0.00 0.00 39.78 41.45 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 2.90 0.00 -0.20 1.20 0.13 -1.75 0.45 132.00 134.73 1kma h PRO 38 Ca 0.09 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.17 1kma h PRO 38 Cb 0.94 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 1kma h PRO 38 CO 0.64 0.00 -0.10 -0.44 -0.23 0.00 0.00 178.00 177.87 1kma h ASP 39 N 0.00 0.29 -4.25 1.44 5.19 -1.93 -3.45 116.42 113.71 1kma h ASP 39 Ca 0.03 -0.06 -0.52 0.00 -0.62 0.00 0.00 57.03 55.86 1kma h ASP 39 Cb 0.23 -0.08 0.15 0.00 0.18 0.00 0.00 39.33 39.82 1kma h ASP 39 CO -0.00 0.43 0.32 -0.22 -3.12 0.00 0.00 179.24 176.65 1kma s LEU 40 N -8.84 3.11 -0.08 1.55 2.96 0.15 -5.03 118.68 112.50 1kma s LEU 40 Ca -0.06 2.08 -0.19 0.00 -0.22 0.00 0.00 54.13 55.75 1kma s LEU 40 Cb 0.15 -4.56 0.04 0.00 0.50 0.00 0.00 46.19 42.33 1kma s LEU 40 CO 0.74 -2.33 0.44 0.68 -1.32 0.00 0.00 176.35 174.56 1kma s VAL 41 N -2.52 0.03 -1.20 1.68 -7.23 -1.26 -4.99 120.40 104.91 1kma s VAL 41 Ca 0.67 -0.21 -0.20 0.00 -1.81 0.00 0.00 61.98 60.43 1kma s VAL 41 Cb -0.22 -0.70 0.06 0.00 0.56 0.00 0.00 36.38 36.08 1kma s VAL 41 CO 0.52 -0.12 1.63 -1.58 -0.31 0.00 0.00 175.10 175.24 1kma s GLN 42 N -0.76 3.84 0.28 4.82 0.74 -1.26 -3.14 119.66 124.19 1kma s GLN 42 Ca -0.08 -1.67 0.01 0.00 0.05 0.00 0.00 55.36 53.67 1kma s GLN 42 Cb -0.03 -5.47 0.58 0.00 1.10 0.00 0.00 33.01 29.18 1kma s GLN 42 CO 0.04 -2.25 1.81 -0.39 -0.55 0.00 0.00 175.29 173.96 1kma h VAL 43 N 6.03 0.85 -3.27 1.34 -1.51 -1.89 -3.42 116.25 114.38 1kma h VAL 43 Ca 0.36 -0.30 -0.03 0.00 -1.23 0.00 0.00 66.70 65.50 1kma h VAL 43 Cb 0.92 -0.11 -0.11 0.00 -2.13 0.00 0.00 31.29 29.86 1kma h VAL 43 CO 1.45 0.16 0.04 -2.28 -1.23 0.00 0.00 177.57 175.71 1kma s HIS 44 N -5.94 -0.22 1.05 5.19 5.65 -1.25 -5.08 115.29 114.68 1kma s HIS 44 Ca -0.12 -0.09 -0.18 0.00 0.25 0.00 0.00 55.06 54.93 1kma s HIS 44 Cb 0.23 0.39 0.25 0.00 -1.18 0.00 0.00 32.58 32.26 1kma s HIS 44 CO 0.80 -0.85 1.25 -0.85 -0.65 0.00 0.00 174.74 174.44 1kma n GLU 45 N -0.32 -1.88 -1.13 2.88 -0.00 -1.26 -3.57 120.64 115.37 1kma n GLU 45 Ca -0.13 -1.95 0.00 0.00 -0.00 0.00 0.00 57.16 55.08 1kma n GLU 45 Cb 0.63 -1.45 0.00 0.00 -0.00 0.00 0.00 31.44 30.63 1kma n GLU 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1kma n GLY 46 N -3.99 -3.76 3.84 -1.84 0.00 -1.23 -4.68 105.19 93.53 1kma n GLY 46 Ca 0.16 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 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 -4.97 4.02 0.00 1.61 0.04 -1.15 -1.71 135.00 132.84 1kma s PRO 47 Ca 0.00 0.90 0.00 0.00 0.04 0.00 0.00 61.00 61.94 1kma s PRO 47 Cb 0.00 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1kma s PRO 47 CO 0.00 -0.11 0.00 0.00 0.04 0.00 0.00 177.00 176.93 1kma n ASP 49 N -1.52 -0.80 0.00 0.00 5.75 -1.25 -5.08 116.55 113.65 1kma n ASP 49 Ca 0.00 -1.28 0.00 0.00 -0.01 0.00 0.00 54.79 53.50 1kma n ASP 49 Cb 0.00 1.27 0.00 0.00 -1.03 0.00 0.00 41.12 41.36 1kma n ASP 49 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1kma n GLU 50 N -0.49 0.00 -3.91 0.11 2.13 -1.26 -3.32 120.64 113.89 1kma n GLU 50 Ca 0.01 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.54 1kma n GLU 50 Cb 0.33 0.00 -0.16 0.00 0.27 0.00 0.00 31.44 31.89 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 0.00 2.12 0.07 4.31 2.46 -1.26 -5.10 115.29 117.89 1kma s HIS 51 Ca 0.00 -1.53 -0.35 0.00 0.47 0.00 0.00 55.06 53.66 1kma s HIS 51 Cb 0.00 -1.47 -0.14 0.00 -0.13 0.00 0.00 32.58 30.84 1kma s HIS 51 CO 0.00 -0.73 1.63 -0.40 -2.47 0.00 0.00 174.74 172.77 1kma n ASP 52 N 4.75 2.95 -1.69 9.88 5.75 -1.26 -4.93 116.55 132.01 1kma n ASP 52 Ca -0.12 1.06 -0.14 0.00 -0.01 0.00 0.00 54.79 55.58 1kma n ASP 52 Cb 0.45 -1.37 0.19 0.00 -1.03 0.00 0.00 41.12 39.36 1kma n ASP 52 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1kma n HIS 53 N 4.21 2.05 -1.24 2.11 1.44 -1.26 -5.06 115.22 117.47 1kma n HIS 53 Ca 0.19 -1.76 -0.30 0.00 -2.01 0.00 0.00 57.72 53.83 1kma n HIS 53 Cb 0.27 -0.72 0.11 0.00 0.12 0.00 0.00 29.99 29.77 1kma n HIS 53 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1kma s ASP 54 N -1.99 4.01 0.00 4.39 -1.08 -1.26 -5.32 116.67 115.42 1kma s ASP 54 Ca 0.51 1.65 0.00 0.00 -0.52 0.00 0.00 52.55 54.19 1kma s ASP 54 Cb 0.44 -2.34 0.00 0.00 -1.46 0.00 0.00 42.92 39.56 1kma s ASP 54 CO 0.05 -2.32 0.00 0.33 0.52 0.00 0.00 175.17 173.74