#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 0.15 0.00 -1.08 0.74 -1.26 -4.95 119.66 113.25 1kma s GLN 2 Ca 0.00 0.23 0.00 0.00 0.05 0.00 0.00 55.36 55.64 1kma s GLN 2 Cb 0.00 0.04 0.00 0.00 1.10 0.00 0.00 33.01 34.15 1kma s GLN 2 CO 0.00 -0.03 0.00 0.41 -0.55 0.00 0.00 175.29 175.12 1kma n GLY 3 N 2.80 1.13 0.06 2.59 0.00 -1.26 -4.63 105.19 105.87 1kma n GLY 3 Ca -0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.03 0.09 1.61 4.21 -2.01 -3.17 115.58 116.28 1kma h ASN 4 Ca 0.00 -0.18 -0.17 0.00 1.21 0.00 0.00 56.30 57.16 1kma h ASN 4 Cb 0.00 0.01 -0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1kma h ASN 4 CO 0.00 0.16 -0.63 1.55 -1.29 0.00 0.00 177.43 177.22 1kma h PRO 5 N -0.22 0.52 -4.00 0.81 0.13 -1.87 -3.42 132.00 123.96 1kma h PRO 5 Ca -0.00 -0.37 -0.72 0.00 -0.87 0.00 0.00 66.00 64.04 1kma h PRO 5 Cb 0.20 0.06 -0.31 0.00 0.13 0.00 0.00 31.00 31.08 1kma h PRO 5 CO 0.01 0.98 -0.32 0.00 -0.23 0.00 0.00 178.00 178.44 1kma n GLU 7 N 4.24 1.21 -2.72 0.00 2.13 -1.25 -4.42 120.64 119.83 1kma n GLU 7 Ca 0.02 -1.06 -0.24 0.00 0.66 0.00 0.00 57.16 56.54 1kma n GLU 7 Cb 0.41 -1.00 0.02 0.00 0.27 0.00 0.00 31.44 31.14 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 -4.75 2.45 0.00 0.00 0.04 -1.26 -4.95 135.00 126.53 1kma s PRO 9 Ca 0.52 -0.10 -0.02 0.00 0.04 0.00 0.00 61.00 61.44 1kma s PRO 9 Cb -0.10 -2.18 -0.09 0.00 0.04 0.00 0.00 34.50 32.18 1kma s PRO 9 CO 0.40 -1.08 2.04 0.54 0.04 0.00 0.00 177.00 178.94 1kma n ARG 10 N -2.85 1.05 -1.95 4.56 1.74 -1.26 -4.87 116.66 113.08 1kma n ARG 10 Ca 0.07 -0.32 -0.42 0.00 -0.77 0.00 0.00 57.85 56.41 1kma n ARG 10 Cb 0.59 -1.45 -0.03 0.00 -1.02 0.00 0.00 32.46 30.56 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 0.97 3.62 0.00 7.54 0.00 -1.26 -4.92 121.76 127.70 1kma s ALA 11 Ca 0.21 1.01 -0.02 0.00 0.00 0.00 0.00 51.96 53.17 1kma s ALA 11 Cb 0.10 -3.76 -0.09 0.00 0.00 0.00 0.00 23.12 19.37 1kma s ALA 11 CO 0.00 -1.40 2.43 1.28 0.00 0.00 0.00 175.76 178.07 1kma n LEU 12 N 7.10 4.89 -3.62 0.00 7.99 -1.26 -4.43 117.00 127.67 1kma n LEU 12 Ca 0.18 -2.51 -0.41 0.00 -0.01 0.00 0.00 56.01 53.26 1kma n LEU 12 Cb 0.42 -1.14 -0.01 0.00 -0.11 0.00 0.00 43.42 42.58 1kma n LEU 12 CO 0.63 1.16 2.75 1.41 -1.51 0.00 0.00 177.39 181.83 1kma n HIS 13 N 1.92 3.09 -1.71 -1.77 8.25 -1.07 -4.97 115.22 118.96 1kma n HIS 13 Ca 0.15 -2.84 -0.43 0.00 -0.26 0.00 0.00 57.72 54.34 1kma n HIS 13 Cb 0.61 -2.43 -0.02 0.00 1.12 0.00 0.00 29.99 29.27 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 5.68 2.43 -4.27 -0.41 1.74 -1.14 -3.59 116.66 117.10 1kma n ARG 14 Ca 0.56 0.87 -0.15 0.00 -0.77 0.00 0.00 57.85 58.37 1kma n ARG 14 Cb 0.35 -2.62 -0.10 0.00 -1.02 0.00 0.00 32.46 29.07 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 0.25 0.53 -0.11 1.55 -7.23 0.19 -2.41 120.40 113.17 1kma s VAL 15 Ca 0.69 -1.99 -0.03 0.00 -1.81 0.00 0.00 61.98 58.84 1kma s VAL 15 Cb -0.57 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 33.92 1kma s VAL 15 CO 0.45 -0.18 0.02 0.00 -0.31 0.00 0.00 175.10 175.08 1kma s GLY 17 N -0.61 1.53 0.46 0.00 0.00 0.42 -4.27 107.32 104.85 1kma s GLY 17 Ca 0.10 -1.19 0.29 0.00 0.00 0.00 0.00 44.72 43.93 1kma s GLY 17 CO 0.02 -1.07 1.71 1.48 0.00 0.00 0.00 173.10 175.25 1kma h SER 18 N 0.64 0.24 0.00 1.64 4.64 -1.86 0.10 113.55 118.96 1kma h SER 18 Ca -0.47 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1kma h SER 18 Cb 1.25 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1kma h SER 18 CO 0.56 -0.03 0.00 -0.67 -0.87 0.00 0.00 176.83 175.83 1kma n ASP 19 N -4.49 0.00 0.00 4.97 -0.08 -1.26 -4.76 116.55 110.93 1kma n ASP 19 Ca 0.31 -0.50 0.00 0.00 -1.51 0.00 0.00 54.79 53.09 1kma n ASP 19 Cb 1.23 -0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.69 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 0.01 0.87 3.55 0.27 0.00 0.26 -5.00 105.19 105.15 1kma n GLY 20 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.85 5.83 0.43 1.61 3.84 -0.65 -4.10 114.94 119.05 1kma s ASN 21 Ca 0.00 -0.09 -0.25 0.00 0.21 0.00 0.00 52.86 52.73 1kma s ASN 21 Cb 0.00 -2.55 -0.08 0.00 -0.55 0.00 0.00 41.25 38.07 1kma s ASN 21 CO 0.00 -2.03 1.28 -0.89 -2.79 0.00 0.00 177.10 172.67 1kma s THR 22 N 7.01 2.67 0.17 -5.21 2.01 -1.26 -0.44 115.64 120.59 1kma s THR 22 Ca 0.49 0.57 0.10 0.00 0.31 0.00 0.00 61.69 63.16 1kma s THR 22 Cb -0.10 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.04 1kma s THR 22 CO 0.18 0.06 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.64 1kma s TYR 23 N -1.31 2.08 0.46 4.92 1.51 0.13 -4.89 117.35 120.26 1kma s TYR 23 Ca 0.59 -0.40 0.19 0.00 -1.01 0.00 0.00 57.07 56.44 1kma s TYR 23 Cb -0.36 -1.05 1.21 0.00 -0.11 0.00 0.00 41.96 41.64 1kma s TYR 23 CO 0.46 0.39 2.05 0.77 -1.11 0.00 0.00 175.55 178.12 1kma h SER 24 N 3.39 0.00 -4.80 2.29 0.02 -1.86 0.56 113.55 113.15 1kma h SER 24 Ca -0.45 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.54 1kma h SER 24 Cb 1.20 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.60 1kma h SER 24 CO 0.47 0.13 0.35 0.54 -1.14 0.00 0.00 176.83 177.18 1kma s ASN 25 N -6.75 -0.48 0.55 3.07 2.20 -1.24 -2.60 114.94 109.70 1kma s ASN 25 Ca -0.04 0.07 0.33 0.00 -0.94 0.00 0.00 52.86 52.28 1kma s ASN 25 Cb 0.15 0.49 1.32 0.00 -2.00 0.00 0.00 41.25 41.21 1kma s ASN 25 CO 0.65 -0.76 1.97 1.55 -2.94 0.00 0.00 177.10 177.57 1kma h PRO 26 N 2.09 0.00 -0.38 3.55 0.13 -1.87 -2.48 132.00 133.04 1kma h PRO 26 Ca -0.28 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.80 1kma h PRO 26 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1kma h PRO 26 CO 0.35 0.00 0.01 0.00 -0.23 0.00 0.00 178.00 178.13 1kma h MET 28 N 0.48 0.68 0.39 0.00 2.86 -1.82 1.00 114.93 118.52 1kma h MET 28 Ca 0.11 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1kma h MET 28 Cb 0.46 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1kma h MET 28 CO 0.02 0.59 -0.19 1.25 1.06 0.00 0.00 176.91 179.63 1kma h LEU 29 N 0.67 -0.45 -1.36 1.22 6.46 -1.25 0.11 115.31 120.72 1kma h LEU 29 Ca 0.16 0.02 0.10 0.00 -0.12 0.00 0.00 57.88 58.03 1kma h LEU 29 Cb 0.18 0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 40.17 1kma h LEU 29 CO -0.01 -0.32 0.52 0.00 -0.62 0.00 0.00 178.44 178.01 1kma h THR 30 N -0.54 0.94 0.02 1.05 1.03 -1.03 0.21 112.91 114.59 1kma h THR 30 Ca -0.05 -0.25 0.00 0.00 -0.01 0.00 0.00 66.41 66.10 1kma h THR 30 Cb 0.41 0.16 -0.00 0.00 -1.07 0.00 0.00 68.15 67.64 1kma h THR 30 CO 0.09 0.13 -0.06 0.00 -0.01 0.00 0.00 175.52 175.67 1kma n ALA 32 N -2.47 -0.03 0.08 0.00 0.00 0.02 0.41 120.51 118.52 1kma n ALA 32 Ca -0.01 0.92 -0.10 0.00 0.00 0.00 0.00 53.44 54.24 1kma n ALA 32 Cb 0.05 -0.45 -0.06 0.00 0.00 0.00 0.00 19.45 18.99 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 -0.47 0.00 0.00 3.64 -0.23 0.17 116.57 119.68 1kma h LYS 33 Ca 0.34 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1kma h LYS 33 Cb 0.57 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1kma h LYS 33 CO -0.90 -0.31 0.00 0.45 -2.27 0.00 0.00 179.45 176.42 1kma h HIS 34 N -0.49 0.00 0.05 1.91 3.86 -0.39 -1.68 115.15 118.41 1kma h HIS 34 Ca -0.01 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1kma h HIS 34 Cb 0.48 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.95 1kma h HIS 34 CO -0.37 0.00 -0.02 1.49 0.86 0.00 0.00 177.93 179.88 1kma h GLU 35 N 0.00 -0.07 0.00 2.45 4.22 0.11 -3.47 114.58 117.82 1kma h GLU 35 Ca 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 59.36 59.35 1kma h GLU 35 Cb 0.25 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.42 1kma h GLU 35 CO 0.00 -0.04 -0.21 0.41 -2.18 0.00 0.00 179.01 176.98 1kma n GLY 36 N 1.59 0.57 2.48 1.92 0.00 0.48 -4.78 105.19 107.46 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 2.59 0.21 1.61 2.85 -0.51 -4.94 115.26 117.08 1kma n ASN 37 Ca -0.20 -3.27 0.15 0.00 -0.11 0.00 0.00 54.58 51.14 1kma n ASN 37 Cb 0.63 -0.62 0.74 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 3.49 0.00 0.00 1.20 0.13 -1.86 -0.84 132.00 134.12 1kma h PRO 38 Ca 0.13 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.14 1kma h PRO 38 Cb 0.73 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.84 1kma h PRO 38 CO 0.68 0.00 -0.58 0.22 -0.23 0.00 0.00 178.00 178.09 1kma h ASP 39 N 0.00 0.00 -4.17 1.44 3.58 -1.92 -3.46 116.42 111.89 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 0.13 0.00 0.12 0.00 1.72 0.00 0.00 39.33 41.30 1kma h ASP 39 CO 0.00 0.58 0.39 -0.22 -2.88 0.00 0.00 179.24 177.11 1kma s LEU 40 N -6.55 3.41 -0.05 2.28 2.96 -0.32 -5.00 118.68 115.39 1kma s LEU 40 Ca 0.03 2.19 -0.16 0.00 -0.22 0.00 0.00 54.13 55.97 1kma s LEU 40 Cb 0.08 -4.57 0.03 0.00 0.50 0.00 0.00 46.19 42.23 1kma s LEU 40 CO 0.75 -1.86 0.37 0.68 -1.32 0.00 0.00 176.35 174.98 1kma s VAL 41 N -2.09 0.04 -1.09 1.68 -7.23 -1.26 -4.97 120.40 105.47 1kma s VAL 41 Ca 0.71 -0.30 -0.22 0.00 -1.81 0.00 0.00 61.98 60.37 1kma s VAL 41 Cb -0.25 -0.64 0.02 0.00 0.56 0.00 0.00 36.38 36.07 1kma s VAL 41 CO 0.41 -0.16 1.68 -1.58 -0.31 0.00 0.00 175.10 175.14 1kma s GLN 42 N -0.90 3.38 0.13 4.82 2.00 -1.26 -3.87 119.66 123.95 1kma s GLN 42 Ca -0.10 -1.21 -0.25 0.00 -2.00 0.00 0.00 55.36 51.81 1kma s GLN 42 Cb -0.04 -5.34 -0.04 0.00 0.80 0.00 0.00 33.01 28.39 1kma s GLN 42 CO 0.04 -2.65 1.64 -0.39 -0.50 0.00 0.00 175.29 173.43 1kma h VAL 43 N 6.49 0.44 -2.51 1.34 -1.51 -1.93 -3.48 116.25 115.09 1kma h VAL 43 Ca 0.25 0.00 0.16 0.00 -1.23 0.00 0.00 66.70 65.88 1kma h VAL 43 Cb 0.96 0.44 -0.04 0.00 -2.13 0.00 0.00 31.29 30.52 1kma h VAL 43 CO 1.37 0.00 0.56 -1.38 -1.23 0.00 0.00 177.57 176.89 1kma s HIS 44 N -6.08 0.04 0.87 5.19 0.00 -1.26 -5.10 115.29 108.96 1kma s HIS 44 Ca -0.15 -0.43 -0.10 0.00 -3.00 0.00 0.00 55.06 51.38 1kma s HIS 44 Cb 0.10 0.70 0.17 0.00 -4.00 0.00 0.00 32.58 29.55 1kma s HIS 44 CO 0.66 -0.93 1.19 -2.00 -1.00 0.00 0.00 174.74 172.66 1kma s GLU 45 N -2.37 1.02 0.12 -0.38 -6.30 -1.26 -4.28 118.70 105.25 1kma s GLU 45 Ca 0.20 -0.72 0.00 0.00 -2.50 0.00 0.00 54.97 51.94 1kma s GLU 45 Cb -0.02 -2.04 0.00 0.00 0.00 0.00 0.00 34.13 32.06 1kma s GLU 45 CO 0.05 -2.05 0.00 0.41 0.02 0.00 0.00 175.26 173.69 1kma n GLY 46 N -3.40 -3.31 3.81 -1.50 0.00 -1.25 -4.60 105.19 94.94 1kma n GLY 46 Ca 0.15 -1.09 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 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 -5.25 4.35 -0.14 1.61 0.04 -1.01 -0.72 135.00 133.89 1kma s PRO 47 Ca 0.00 1.15 -0.11 0.00 0.04 0.00 0.00 61.00 62.08 1kma s PRO 47 Cb 0.00 -2.49 -0.08 0.00 0.04 0.00 0.00 34.50 31.97 1kma s PRO 47 CO 0.00 0.13 0.07 0.00 0.04 0.00 0.00 177.00 177.25 1kma s ASP 49 N -5.94 5.42 0.71 0.00 2.15 -1.26 -4.99 116.67 112.77 1kma s ASP 49 Ca -0.13 2.74 -0.11 0.00 0.43 0.00 0.00 52.55 55.48 1kma s ASP 49 Cb 0.01 -2.63 0.02 0.00 -0.30 0.00 0.00 42.92 40.02 1kma s ASP 49 CO 0.28 -1.47 1.08 -0.70 -0.17 0.00 0.00 175.17 174.20 1kma s GLU 50 N -2.83 2.81 -0.65 4.34 2.12 -1.26 -5.00 118.70 118.22 1kma s GLU 50 Ca 0.70 0.58 -0.20 0.00 0.36 0.00 0.00 54.97 56.41 1kma s GLU 50 Cb -0.40 -2.00 0.10 0.00 0.26 0.00 0.00 34.13 32.09 1kma s GLU 50 CO 0.48 -1.10 0.81 -3.38 -0.54 0.00 0.00 175.26 171.53 1kma s HIS 51 N -3.26 2.96 1.02 5.30 -3.43 -1.26 -5.05 115.29 111.56 1kma s HIS 51 Ca 0.58 -0.95 -0.11 0.00 -0.80 0.00 0.00 55.06 53.79 1kma s HIS 51 Cb -0.12 -4.11 0.20 0.00 -1.43 0.00 0.00 32.58 27.13 1kma s HIS 51 CO 0.53 -1.39 1.08 -3.47 -2.00 0.00 0.00 174.74 169.49 1kma n ASP 52 N 6.60 -0.48 -3.23 7.38 -0.08 -1.26 -4.95 116.55 120.54 1kma n ASP 52 Ca -0.04 0.20 -0.37 0.00 -1.51 0.00 0.00 54.79 53.08 1kma n ASP 52 Cb 0.44 -1.39 0.01 0.00 2.34 0.00 0.00 41.12 42.52 1kma n ASP 52 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 1kma n HIS 53 N -4.53 3.15 0.22 -0.67 -0.00 -1.26 -4.85 115.22 107.28 1kma n HIS 53 Ca 0.09 -2.86 0.05 0.00 -0.00 0.00 0.00 57.72 55.00 1kma n HIS 53 Cb 0.53 -0.94 0.49 0.00 -0.00 0.00 0.00 29.99 30.07 1kma n HIS 53 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 1kma h ASP 54 N 3.54 0.00 -0.02 0.26 5.19 -2.04 -3.58 116.42 119.77 1kma h ASP 54 Ca 0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.85 1kma h ASP 54 Cb 0.35 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.86 1kma h ASP 54 CO 1.13 0.22 0.00 0.49 -3.12 0.00 0.00 179.24 177.96