#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 0.13 3.97 7.27 -1.26 -4.94 117.38 122.55 1kma n GLN 2 Ca 0.00 0.00 0.13 0.00 0.07 0.00 0.00 57.00 57.20 1kma n GLN 2 Cb 0.00 0.00 0.39 0.00 2.41 0.00 0.00 30.24 33.04 1kma n GLN 2 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 1kma h GLY 3 N 0.00 0.00 0.76 1.69 0.00 -2.02 -1.12 103.07 102.38 1kma h GLY 3 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1kma h GLY 3 CO 0.00 0.00 -0.00 -0.57 0.00 0.00 0.00 176.54 175.97 1kma h ASN 4 N 0.00 -0.00 0.19 0.19 -0.00 -2.00 -2.59 115.58 111.37 1kma h ASN 4 Ca 0.00 -0.24 -0.01 0.00 -0.00 0.00 0.00 56.30 56.05 1kma h ASN 4 Cb 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.04 1kma h ASN 4 CO 0.00 0.24 -0.09 1.55 -0.00 0.00 0.00 177.43 179.13 1kma h PRO 5 N -0.24 -0.24 -3.71 6.67 0.13 -1.86 -3.37 132.00 129.37 1kma h PRO 5 Ca -0.00 0.02 -0.75 0.00 -0.87 0.00 0.00 66.00 64.39 1kma h PRO 5 Cb 0.24 0.05 -0.16 0.00 0.13 0.00 0.00 31.00 31.27 1kma h PRO 5 CO 0.00 -0.13 1.94 0.00 -0.23 0.00 0.00 178.00 179.58 1kma s GLU 7 N 0.62 2.54 0.21 0.00 2.12 -0.99 -4.54 118.70 118.65 1kma s GLU 7 Ca 0.40 -3.04 -0.19 0.00 0.36 0.00 0.00 54.97 52.50 1kma s GLU 7 Cb 0.08 -3.56 0.03 0.00 0.26 0.00 0.00 34.13 30.94 1kma s GLU 7 CO 0.00 -1.22 0.57 0.00 -0.54 0.00 0.00 175.26 174.08 1kma s PRO 9 N -3.87 2.78 0.00 0.00 0.04 -1.26 -4.95 135.00 127.74 1kma s PRO 9 Ca 0.09 0.38 -0.02 0.00 0.04 0.00 0.00 61.00 61.49 1kma s PRO 9 Cb -0.02 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.40 1kma s PRO 9 CO -0.02 -1.06 2.37 0.54 0.04 0.00 0.00 177.00 178.87 1kma n ARG 10 N -3.00 1.23 -2.01 4.56 1.74 -1.26 -4.92 116.66 113.01 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 0.58 -1.34 -0.03 0.00 -1.02 0.00 0.00 32.46 30.64 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 0.48 3.70 -0.22 7.54 0.00 -1.26 -4.93 121.76 127.07 1kma s ALA 11 Ca 0.21 1.23 -0.02 0.00 0.00 0.00 0.00 51.96 53.38 1kma s ALA 11 Cb 0.10 -3.62 0.06 0.00 0.00 0.00 0.00 23.12 19.66 1kma s ALA 11 CO 0.00 -0.84 2.38 1.28 0.00 0.00 0.00 175.76 178.58 1kma n LEU 12 N 4.50 6.02 -3.55 0.00 7.99 -1.26 -4.15 117.00 126.55 1kma n LEU 12 Ca 0.14 -3.21 -0.41 0.00 -0.01 0.00 0.00 56.01 52.53 1kma n LEU 12 Cb 0.40 -1.16 -0.01 0.00 -0.11 0.00 0.00 43.42 42.54 1kma n LEU 12 CO 0.61 1.33 2.78 1.41 -1.51 0.00 0.00 177.39 182.01 1kma n HIS 13 N 1.04 2.86 -1.69 -1.77 8.25 -0.42 -4.95 115.22 118.54 1kma n HIS 13 Ca 0.28 -2.96 -0.44 0.00 -0.26 0.00 0.00 57.72 54.34 1kma n HIS 13 Cb 0.60 -2.30 -0.02 0.00 1.12 0.00 0.00 29.99 29.38 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 4.02 2.18 -4.29 -0.41 1.74 -1.00 -3.73 116.66 115.18 1kma n ARG 14 Ca 0.62 0.78 -0.15 0.00 -0.77 0.00 0.00 57.85 58.32 1kma n ARG 14 Cb 0.30 -2.46 -0.10 0.00 -1.02 0.00 0.00 32.46 29.18 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 -0.03 0.44 0.02 1.55 -7.23 -0.02 -2.72 120.40 112.42 1kma s VAL 15 Ca 0.67 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.92 1kma s VAL 15 Cb -0.62 -2.58 -0.02 0.00 0.56 0.00 0.00 36.38 33.72 1kma s VAL 15 CO 0.49 -0.03 -0.21 0.00 -0.31 0.00 0.00 175.10 175.04 1kma s GLY 17 N -0.95 1.66 0.26 0.00 0.00 -0.10 -4.18 107.32 104.01 1kma s GLY 17 Ca 0.08 -1.15 0.13 0.00 0.00 0.00 0.00 44.72 43.78 1kma s GLY 17 CO 0.01 -0.94 1.13 -1.14 0.00 0.00 0.00 173.10 172.16 1kma n SER 18 N -2.18 0.21 0.00 1.64 3.41 -1.24 -0.89 113.62 114.56 1kma n SER 18 Ca 0.04 1.19 0.09 0.00 -0.26 0.00 0.00 58.87 59.94 1kma n SER 18 Cb 0.58 -0.56 0.56 0.00 -0.26 0.00 0.00 64.21 64.53 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 -4.67 0.00 0.00 4.04 9.92 -1.26 -4.81 116.55 119.77 1kma n ASP 19 Ca 0.26 -0.60 0.00 0.00 -0.53 0.00 0.00 54.79 53.92 1kma n ASP 19 Cb 0.88 0.00 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 0.18 1.32 3.56 0.44 0.00 -0.07 -4.96 105.19 105.67 1kma n GLY 20 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.02 5.88 0.42 1.61 3.84 -1.19 -4.06 114.94 118.43 1kma s ASN 21 Ca 0.00 0.21 -0.25 0.00 0.21 0.00 0.00 52.86 53.03 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 -1.92 1.27 -0.89 -2.79 0.00 0.00 177.10 172.77 1kma s THR 22 N 6.88 2.70 0.18 -5.21 2.01 -1.24 -0.92 115.64 120.03 1kma s THR 22 Ca 0.55 0.60 0.09 0.00 0.31 0.00 0.00 61.69 63.24 1kma s THR 22 Cb -0.11 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 1kma s THR 22 CO 0.22 0.07 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.72 1kma s TYR 23 N -1.32 1.93 0.44 4.92 1.51 0.14 -4.93 117.35 120.04 1kma s TYR 23 Ca 0.59 -0.45 0.17 0.00 -1.01 0.00 0.00 57.07 56.37 1kma s TYR 23 Cb -0.36 -0.94 1.11 0.00 -0.11 0.00 0.00 41.96 41.66 1kma s TYR 23 CO 0.46 0.40 2.01 1.03 -1.11 0.00 0.00 175.55 178.33 1kma h SER 24 N 3.09 0.00 -4.83 2.29 0.87 -1.88 -0.00 113.55 113.08 1kma h SER 24 Ca -0.42 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.19 1kma h SER 24 Cb 1.21 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 63.04 1kma h SER 24 CO 0.52 0.17 0.36 0.54 -0.53 0.00 0.00 176.83 177.90 1kma s ASN 25 N -6.80 -0.44 0.26 6.23 2.20 -1.24 -1.29 114.94 113.85 1kma s ASN 25 Ca -0.04 -0.03 0.25 0.00 -0.94 0.00 0.00 52.86 52.10 1kma s ASN 25 Cb 0.15 0.49 0.95 0.00 -2.00 0.00 0.00 41.25 40.84 1kma s ASN 25 CO 0.67 -0.80 1.74 -0.81 -2.94 0.00 0.00 177.10 174.95 1kma n PRO 26 N -0.32 0.22 -0.13 3.55 -0.04 -1.26 -2.32 135.00 134.71 1kma n PRO 26 Ca -0.12 0.38 -0.10 0.00 -0.04 0.00 0.00 63.50 63.62 1kma n PRO 26 Cb 0.63 -1.87 -0.02 0.00 -0.04 0.00 0.00 33.50 32.20 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 0.45 0.46 0.46 0.00 2.86 -1.84 0.25 114.93 117.57 1kma h MET 28 Ca 0.11 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 1kma h MET 28 Cb 0.34 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1kma h MET 28 CO 0.01 0.30 -0.40 1.25 1.06 0.00 0.00 176.91 179.13 1kma h LEU 29 N 0.47 -1.07 -1.37 1.22 6.46 -1.46 -0.15 115.31 119.41 1kma h LEU 29 Ca 0.16 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.99 1kma h LEU 29 Cb 0.01 0.34 -0.03 0.00 -0.73 0.00 0.00 40.66 40.25 1kma h LEU 29 CO -0.07 -0.55 0.29 0.00 -0.62 0.00 0.00 178.44 177.49 1kma h THR 30 N -0.84 1.16 0.04 1.05 1.03 -0.56 0.22 112.91 115.01 1kma h THR 30 Ca -0.06 -0.40 0.00 0.00 -0.01 0.00 0.00 66.41 65.94 1kma h THR 30 Cb 0.71 0.45 -0.01 0.00 -1.07 0.00 0.00 68.15 68.24 1kma h THR 30 CO -0.01 0.18 -0.09 0.00 -0.01 0.00 0.00 175.52 175.59 1kma n ALA 32 N -2.47 -0.00 -0.03 0.00 0.00 -0.08 0.41 120.51 118.35 1kma n ALA 32 Ca -0.02 0.97 -0.14 0.00 0.00 0.00 0.00 53.44 54.25 1kma n ALA 32 Cb 0.07 -0.49 -0.09 0.00 0.00 0.00 0.00 19.45 18.95 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 -0.51 0.00 0.00 3.64 -0.34 0.29 116.57 119.65 1kma h LYS 33 Ca 0.37 0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.74 1kma h LYS 33 Cb 0.60 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 1kma h LYS 33 CO -0.95 -0.34 -0.22 0.45 -2.27 0.00 0.00 179.45 176.12 1kma h HIS 34 N -0.53 0.00 -0.00 1.91 3.86 -0.19 -1.17 115.15 119.02 1kma h HIS 34 Ca 0.05 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 59.01 1kma h HIS 34 Cb 0.66 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.14 1kma h HIS 34 CO -0.58 0.22 -1.01 1.49 0.86 0.00 0.00 177.93 178.91 1kma h GLU 35 N 0.00 0.62 0.00 2.45 4.22 0.11 -3.45 114.58 118.52 1kma h GLU 35 Ca -0.00 -0.66 0.00 0.00 0.08 0.00 0.00 59.36 58.78 1kma h GLU 35 Cb 0.72 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1kma h GLU 35 CO 0.03 1.26 0.00 0.41 -2.18 0.00 0.00 179.01 178.53 1kma n GLY 36 N 1.04 0.04 2.54 1.92 0.00 0.92 -4.78 105.19 106.86 1kma n GLY 36 Ca -0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 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 2.72 0.25 1.61 2.85 -0.45 -4.95 115.26 117.29 1kma n ASN 37 Ca 0.00 -3.32 0.16 0.00 -0.11 0.00 0.00 54.58 51.31 1kma n ASN 37 Cb 0.02 -0.60 0.87 0.00 1.24 0.00 0.00 39.78 41.31 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 3.26 0.00 -0.17 1.20 0.13 -1.84 -0.57 132.00 134.01 1kma h PRO 38 Ca 0.12 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.18 1kma h PRO 38 Cb 0.72 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 1kma h PRO 38 CO 0.68 0.00 -0.22 -0.44 -0.23 0.00 0.00 178.00 177.79 1kma h ASP 39 N 0.00 0.28 -4.25 1.44 5.19 -1.92 -3.46 116.42 113.71 1kma h ASP 39 Ca 0.04 -0.08 -0.52 0.00 -0.62 0.00 0.00 57.03 55.86 1kma h ASP 39 Cb 0.26 -0.08 0.14 0.00 0.18 0.00 0.00 39.33 39.84 1kma h ASP 39 CO -0.00 0.52 0.33 -0.22 -3.12 0.00 0.00 179.24 176.74 1kma s LEU 40 N -8.62 3.14 -0.03 1.55 2.96 -0.22 -5.01 118.68 112.45 1kma s LEU 40 Ca -0.05 2.06 -0.19 0.00 -0.22 0.00 0.00 54.13 55.72 1kma s LEU 40 Cb 0.15 -4.55 0.04 0.00 0.50 0.00 0.00 46.19 42.32 1kma s LEU 40 CO 0.75 -2.22 0.41 0.68 -1.32 0.00 0.00 176.35 174.66 1kma s VAL 41 N -2.52 0.04 -1.12 1.68 -7.23 -1.26 -4.99 120.40 105.00 1kma s VAL 41 Ca 0.67 -0.34 -0.22 0.00 -1.81 0.00 0.00 61.98 60.28 1kma s VAL 41 Cb -0.22 -0.72 -0.02 0.00 0.56 0.00 0.00 36.38 35.98 1kma s VAL 41 CO 0.51 -0.18 1.82 -1.58 -0.31 0.00 0.00 175.10 175.35 1kma s GLN 42 N -1.26 3.03 0.20 4.82 0.74 -1.26 -3.68 119.66 122.25 1kma s GLN 42 Ca -0.13 -1.15 -0.11 0.00 0.05 0.00 0.00 55.36 54.02 1kma s GLN 42 Cb -0.04 -5.29 0.23 0.00 1.10 0.00 0.00 33.01 29.02 1kma s GLN 42 CO 0.06 -3.16 1.74 -0.39 -0.55 0.00 0.00 175.29 172.98 1kma h VAL 43 N 6.38 0.77 -2.93 1.34 -1.51 -1.91 -3.45 116.25 114.94 1kma h VAL 43 Ca 0.24 -0.12 0.01 0.00 -1.23 0.00 0.00 66.70 65.60 1kma h VAL 43 Cb 0.95 0.38 -0.00 0.00 -2.13 0.00 0.00 31.29 30.49 1kma h VAL 43 CO 1.31 0.07 0.32 -2.28 -1.23 0.00 0.00 177.57 175.75 1kma s HIS 44 N -6.11 0.11 0.91 5.19 2.46 -1.26 -5.08 115.29 111.51 1kma s HIS 44 Ca -0.13 -0.75 -0.12 0.00 0.47 0.00 0.00 55.06 54.53 1kma s HIS 44 Cb 0.16 0.82 0.19 0.00 -0.13 0.00 0.00 32.58 33.62 1kma s HIS 44 CO 0.74 -1.48 1.25 -1.21 -2.47 0.00 0.00 174.74 171.57 1kma s GLU 45 N -2.29 0.80 0.12 2.88 2.02 -1.26 -4.17 118.70 116.80 1kma s GLU 45 Ca 0.16 -0.66 0.00 0.00 0.02 0.00 0.00 54.97 54.49 1kma s GLU 45 Cb -0.05 -1.97 0.00 0.00 0.10 0.00 0.00 34.13 32.21 1kma s GLU 45 CO 0.10 -2.23 0.00 0.41 0.02 0.00 0.00 175.26 173.57 1kma n GLY 46 N -3.55 -3.23 3.86 -1.39 0.00 -1.22 -4.70 105.19 94.96 1kma n GLY 46 Ca 0.16 -1.13 -0.31 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 -5.01 3.62 0.00 1.61 0.04 -1.10 -1.32 135.00 132.84 1kma s PRO 47 Ca 0.00 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.86 1kma s PRO 47 Cb 0.00 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1kma s PRO 47 CO 0.00 -0.55 0.00 0.00 0.04 0.00 0.00 177.00 176.49 1kma n ASP 49 N 0.00 0.00 0.00 0.00 5.75 -1.26 -5.05 116.55 115.99 1kma n ASP 49 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1kma n ASP 49 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 0.00 0.00 0.08 0.11 0.00 -1.26 -3.69 120.64 115.88 1kma n GLU 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1kma n GLU 50 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 31.44 31.43 1kma n GLU 50 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1kma n HIS 51 N -0.03 -2.31 -3.59 4.31 8.25 -1.26 -4.89 115.22 115.70 1kma n HIS 51 Ca 0.00 0.46 -0.06 0.00 -0.26 0.00 0.00 57.72 57.87 1kma n HIS 51 Cb 0.00 1.31 -0.03 0.00 1.12 0.00 0.00 29.99 32.39 1kma n HIS 51 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1kma s ASP 52 N -3.52 -0.19 -0.89 0.41 1.47 -1.26 -5.11 116.67 107.58 1kma s ASP 52 Ca 0.00 0.07 -0.05 0.00 1.18 0.00 0.00 52.55 53.74 1kma s ASP 52 Cb 0.00 0.19 0.22 0.00 -0.34 0.00 0.00 42.92 42.99 1kma s ASP 52 CO 0.00 -0.28 0.80 -2.28 0.68 0.00 0.00 175.17 174.09 1kma s HIS 53 N -2.12 3.88 1.02 2.11 5.65 -1.26 -5.10 115.29 119.48 1kma s HIS 53 Ca 0.07 -2.76 -0.13 0.00 0.25 0.00 0.00 55.06 52.49 1kma s HIS 53 Cb -0.01 -3.46 0.20 0.00 -1.18 0.00 0.00 32.58 28.14 1kma s HIS 53 CO -0.05 -0.84 1.10 0.16 -0.65 0.00 0.00 174.74 174.46 1kma s ASP 54 N 0.66 2.42 0.00 9.88 -4.77 -1.26 -5.29 116.67 118.31 1kma s ASP 54 Ca 0.25 1.09 0.25 0.00 -3.30 0.00 0.00 52.55 50.85 1kma s ASP 54 Cb -0.10 -1.72 0.48 0.00 -1.09 0.00 0.00 42.92 40.49 1kma s ASP 54 CO -0.09 -3.25 1.42 2.22 0.70 0.00 0.00 175.17 176.18