#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zll n GLU 2 N 0.00 0.00 0.07 2.12 2.13 -1.26 -4.33 120.64 119.38 1zll n GLU 2 Ca 0.00 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.66 1zll n GLU 2 Cb 0.00 -1.34 -0.08 0.00 0.27 0.00 0.00 31.44 30.29 1zll n GLU 2 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1zll h LYS 3 N 0.00 0.45 0.04 5.31 1.57 -2.05 -2.75 116.57 119.13 1zll h LYS 3 Ca 0.00 -0.53 -0.00 0.00 -1.87 0.00 0.00 60.65 58.25 1zll h LYS 3 Cb 0.00 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1zll h LYS 3 CO 0.00 1.18 -0.02 0.28 -0.57 0.00 0.00 179.45 180.33 1zll h VAL 4 N 0.23 0.98 -0.60 0.50 2.07 -2.00 -2.73 116.25 114.70 1zll h VAL 4 Ca -0.11 -1.62 0.17 0.00 0.82 0.00 0.00 66.70 65.96 1zll h VAL 4 Cb 1.70 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 33.26 1zll h VAL 4 CO 0.18 0.32 0.61 1.56 0.02 0.00 0.00 177.57 180.26 1zll h GLN 5 N -0.97 0.00 0.12 1.57 4.20 -1.91 0.54 115.11 118.66 1zll h GLN 5 Ca -0.00 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.43 1zll h GLN 5 Cb 0.56 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.34 1zll h GLN 5 CO 0.01 0.00 -1.23 -0.92 -0.67 0.00 0.00 178.83 176.02 1zll h TYR 6 N 0.00 0.51 0.07 2.96 3.20 -1.49 -2.53 116.97 119.70 1zll h TYR 6 Ca 0.28 -0.37 -0.12 0.00 3.14 0.00 0.00 58.73 61.66 1zll h TYR 6 Cb 1.50 -0.02 0.01 0.00 1.54 0.00 0.00 36.73 39.75 1zll h TYR 6 CO 0.00 1.28 -0.59 -0.07 -1.64 0.00 0.00 178.16 177.14 1zll h LEU 7 N 0.08 0.23 -1.08 2.82 3.38 0.23 -2.24 115.31 118.75 1zll h LEU 7 Ca -0.13 -0.93 -0.04 0.00 0.09 0.00 0.00 57.88 56.87 1zll h LEU 7 Cb 1.95 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.60 1zll h LEU 7 CO 0.20 1.27 0.20 0.74 0.09 0.00 0.00 178.44 180.94 1zll h THR 8 N -0.67 1.22 0.00 0.22 2.02 -0.83 -1.87 112.91 113.00 1zll h THR 8 Ca -0.12 -0.72 -0.14 0.00 0.77 0.00 0.00 66.41 66.20 1zll h THR 8 Cb 1.37 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 1zll h THR 8 CO 0.05 0.28 -0.67 -0.09 0.37 0.00 0.00 175.52 175.46 1zll h ARG 9 N 0.84 0.00 -0.09 6.66 1.12 -1.53 -2.46 114.38 118.92 1zll h ARG 9 Ca 0.19 0.00 -0.09 0.00 -1.11 0.00 0.00 59.98 58.97 1zll h ARG 9 Cb 0.21 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.16 1zll h ARG 9 CO -0.01 0.67 -0.36 0.77 -3.11 0.00 0.00 179.97 177.93 1zll h SER 10 N 0.00 0.19 0.12 -3.80 0.02 -0.71 -2.43 113.55 106.93 1zll h SER 10 Ca -0.01 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1zll h SER 10 Cb 1.19 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1zll h SER 10 CO 0.09 0.54 -0.06 0.00 -1.14 0.00 0.00 176.83 176.26 1zll h ALA 11 N 1.47 -0.20 -0.41 3.77 0.00 -1.17 -2.41 119.26 120.31 1zll h ALA 11 Ca 0.02 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.01 1zll h ALA 11 Cb 0.71 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1zll h ALA 11 CO 0.05 -0.19 0.70 0.82 0.00 0.00 0.00 179.25 180.64 1zll h ILE 12 N -0.79 0.13 0.22 0.00 2.04 -1.53 0.96 117.51 118.53 1zll h ILE 12 Ca -0.02 0.00 -0.34 0.00 1.00 0.00 0.00 64.86 65.51 1zll h ILE 12 Cb 0.12 0.39 0.02 0.00 -0.74 0.00 0.00 36.82 36.61 1zll h ILE 12 CO 0.03 0.00 -1.55 -0.09 0.00 0.00 0.00 178.15 176.53 1zll h ARG 13 N 0.00 0.46 -0.02 2.37 9.65 -1.45 -3.18 114.38 122.21 1zll h ARG 13 Ca 0.19 -0.78 0.00 0.00 -1.10 0.00 0.00 59.98 58.29 1zll h ARG 13 Cb 1.60 0.29 0.00 0.00 -1.39 0.00 0.00 29.97 30.47 1zll h ARG 13 CO -0.00 1.37 -0.14 2.89 2.80 0.00 0.00 179.97 186.88 1zll n ARG 14 N -3.65 1.51 -0.17 0.20 -4.01 0.19 -3.92 116.66 106.81 1zll n ARG 14 Ca -0.19 -1.04 0.07 0.00 -1.04 0.00 0.00 57.85 55.64 1zll n ARG 14 Cb 1.09 -1.48 0.16 0.00 -3.04 0.00 0.00 32.46 29.19 1zll n ARG 14 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1zll n ALA 15 N 0.17 2.25 1.28 2.89 0.00 0.28 -4.43 120.51 122.95 1zll n ALA 15 Ca 0.15 -1.07 0.08 0.00 0.00 0.00 0.00 53.44 52.60 1zll n ALA 15 Cb 0.42 -0.50 0.49 0.00 0.00 0.00 0.00 19.45 19.87 1zll n ALA 15 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1zll n SER 16 N 0.70 0.00 -1.63 0.00 3.41 -1.20 -2.25 113.62 112.65 1zll n SER 16 Ca 0.13 -0.76 -0.14 0.00 -0.26 0.00 0.00 58.87 57.84 1zll n SER 16 Cb 0.43 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.56 1zll n SER 16 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1zll n THR 17 N -0.91 2.84 -4.14 6.66 -2.24 -1.26 -4.97 114.28 110.26 1zll n THR 17 Ca 0.12 -2.58 -0.09 0.00 -2.27 0.00 0.00 64.05 59.23 1zll n THR 17 Cb 0.06 -0.46 -0.10 0.00 -2.10 0.00 0.00 70.33 67.72 1zll n THR 17 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1zll s ILE 18 N -3.44 0.12 -0.45 2.28 1.01 -0.95 -5.12 121.20 114.65 1zll s ILE 18 Ca 0.50 -1.89 0.05 0.00 0.00 0.00 0.00 60.65 59.31 1zll s ILE 18 Cb 0.44 -1.96 0.18 0.00 0.01 0.00 0.00 42.46 41.13 1zll s ILE 18 CO 0.03 -0.55 0.50 -1.61 0.00 0.00 0.00 174.94 173.31 1zll s GLU 19 N -4.03 0.93 -0.04 2.79 2.02 -1.26 -5.10 118.70 114.01 1zll s GLU 19 Ca 0.21 -1.53 -0.15 0.00 0.02 0.00 0.00 54.97 53.53 1zll s GLU 19 Cb 0.08 -0.79 0.03 0.00 0.10 0.00 0.00 34.13 33.55 1zll s GLU 19 CO -0.00 -1.34 0.32 -1.64 0.02 0.00 0.00 175.26 172.62 1zll s MET 20 N 0.57 0.62 0.00 1.61 -1.94 -1.26 -5.02 119.30 113.89 1zll s MET 20 Ca 0.29 -0.06 0.00 0.00 -1.71 0.00 0.00 55.69 54.21 1zll s MET 20 Cb -0.00 0.28 0.00 0.00 2.01 0.00 0.00 34.83 37.12 1zll s MET 20 CO -0.12 -0.16 0.88 -0.35 -0.01 0.00 0.00 175.02 175.26 1zll n PRO 21 N 1.57 0.62 0.00 2.03 -0.04 -1.26 -4.84 135.00 133.08 1zll n PRO 21 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1zll n PRO 21 Cb 0.56 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 1zll n PRO 21 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1zll n GLN 22 N 1.11 0.00 -0.24 0.54 3.00 -1.26 -3.92 117.38 116.61 1zll n GLN 22 Ca 0.00 0.00 0.24 0.00 -0.01 0.00 0.00 57.00 57.23 1zll n GLN 22 Cb 0.31 0.00 0.44 0.00 0.00 0.00 0.00 30.24 30.99 1zll n GLN 22 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1zll n GLN 23 N 0.00 -0.04 -0.02 -1.09 1.13 -1.26 0.21 117.38 116.31 1zll n GLN 23 Ca 0.00 1.00 -0.10 0.00 -1.94 0.00 0.00 57.00 55.96 1zll n GLN 23 Cb 0.00 -1.81 0.04 0.00 0.11 0.00 0.00 30.24 28.58 1zll n GLN 23 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1zll h ALA 24 N 1.44 0.68 0.35 -1.58 0.00 -1.93 -1.38 119.26 116.83 1zll h ALA 24 Ca 0.62 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1zll h ALA 24 Cb 1.69 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.36 1zll h ALA 24 CO -0.54 0.68 -0.41 -0.09 0.00 0.00 0.00 179.25 178.89 1zll h ARG 25 N 0.50 -0.77 0.49 0.00 1.12 0.22 0.24 114.38 116.18 1zll h ARG 25 Ca 0.02 0.05 -0.02 0.00 -1.11 0.00 0.00 59.98 58.92 1zll h ARG 25 Cb 1.06 0.18 0.00 0.00 -0.01 0.00 0.00 29.97 31.20 1zll h ARG 25 CO 0.10 -0.51 -0.23 1.96 -3.11 0.00 0.00 179.97 178.17 1zll h GLN 26 N -0.80 -0.63 -0.89 0.20 1.08 -1.50 -2.49 115.11 110.08 1zll h GLN 26 Ca -0.03 0.04 0.13 0.00 -1.45 0.00 0.00 58.65 57.34 1zll h GLN 26 Cb 0.73 0.14 -0.07 0.00 -0.05 0.00 0.00 27.48 28.23 1zll h GLN 26 CO -0.10 -0.35 0.57 0.87 -0.95 0.00 0.00 178.83 178.87 1zll h LYS 27 N -0.80 0.73 -0.03 1.46 6.56 -1.21 -2.67 116.57 120.60 1zll h LYS 27 Ca -0.07 -0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.47 1zll h LYS 27 Cb 0.57 -0.17 -0.00 0.00 -0.57 0.00 0.00 32.23 32.06 1zll h LYS 27 CO 0.11 0.49 -0.02 -0.07 -2.06 0.00 0.00 179.45 177.90 1zll h LEU 28 N 0.76 0.08 -0.17 2.94 3.38 -0.39 0.12 115.31 122.02 1zll h LEU 28 Ca 0.44 -0.44 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1zll h LEU 28 Cb 0.61 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1zll h LEU 28 CO -0.20 0.50 -0.05 1.56 0.09 0.00 0.00 178.44 180.33 1zll h GLN 29 N -0.34 -0.02 0.41 1.13 4.20 -1.11 0.65 115.11 120.02 1zll h GLN 29 Ca 0.01 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 1zll h GLN 29 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1zll h GLN 29 CO 0.01 -0.01 -0.20 -0.97 -0.67 0.00 0.00 178.83 176.99 1zll h ASN 30 N -0.02 -0.46 -0.89 1.46 -0.00 -1.56 -2.60 115.58 111.51 1zll h ASN 30 Ca 0.08 -0.07 0.16 0.00 -0.00 0.00 0.00 56.30 56.47 1zll h ASN 30 Cb 0.15 0.12 -0.07 0.00 -0.00 0.00 0.00 38.32 38.52 1zll h ASN 30 CO -0.18 -0.03 0.57 -0.07 -0.00 0.00 0.00 177.43 177.72 1zll h LEU 31 N -1.06 0.57 0.67 0.34 3.38 -0.74 -2.55 115.31 115.91 1zll h LEU 31 Ca -0.06 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1zll h LEU 31 Cb 0.51 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.20 1zll h LEU 31 CO 0.09 0.27 -0.32 0.15 0.09 0.00 0.00 178.44 178.72 1zll h PHE 32 N 0.59 -0.83 -0.71 1.13 3.57 0.32 0.04 116.94 121.05 1zll h PHE 32 Ca 0.45 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 62.03 1zll h PHE 32 Cb 0.87 0.28 -0.12 0.00 2.79 0.00 0.00 35.95 39.77 1zll h PHE 32 CO -0.00 -0.52 -0.47 0.82 -2.23 0.00 0.00 178.31 175.91 1zll h ILE 33 N -1.00 0.05 -0.95 1.41 2.04 -1.07 0.79 117.51 118.78 1zll h ILE 33 Ca -0.09 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.85 1zll h ILE 33 Cb 0.69 0.05 -0.07 0.00 -0.74 0.00 0.00 36.82 36.75 1zll h ILE 33 CO 0.15 0.00 0.61 0.78 0.00 0.00 0.00 178.15 179.70 1zll h ASN 34 N -0.17 0.93 -0.37 1.72 -0.26 -1.46 0.21 115.58 116.17 1zll h ASN 34 Ca 0.19 0.02 -0.03 0.00 -0.56 0.00 0.00 56.30 55.92 1zll h ASN 34 Cb 0.54 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.61 1zll h ASN 34 CO -0.77 0.56 0.13 0.15 -1.06 0.00 0.00 177.43 176.44 1zll h PHE 35 N 1.03 0.65 0.11 1.19 3.04 0.24 -2.70 116.94 120.50 1zll h PHE 35 Ca 0.43 -0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.34 1zll h PHE 35 Cb 0.30 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 38.62 1zll h PHE 35 CO -0.00 0.55 -0.05 0.00 -2.02 0.00 0.00 178.31 176.78 1zll h LEU 37 N -0.34 -0.51 -0.97 0.00 3.38 -1.04 0.27 115.31 116.10 1zll h LEU 37 Ca -0.02 0.14 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1zll h LEU 37 Cb 0.28 0.31 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1zll h LEU 37 CO 0.02 -0.18 -0.01 0.40 0.09 0.00 0.00 178.44 178.76 1zll h ILE 38 N -0.05 1.24 0.05 1.22 2.04 -1.33 -2.02 117.51 118.67 1zll h ILE 38 Ca 0.21 -0.98 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 1zll h ILE 38 Cb 0.37 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1zll h ILE 38 CO -0.47 0.34 -0.03 0.25 0.00 0.00 0.00 178.15 178.24 1zll h LEU 39 N 0.69 -0.06 -1.61 1.44 5.85 0.14 -2.18 115.31 119.58 1zll h LEU 39 Ca 0.13 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.69 1zll h LEU 39 Cb 0.44 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1zll h LEU 39 CO 0.02 0.15 0.29 0.40 -0.34 0.00 0.00 178.44 178.95 1zll h ILE 40 N -0.27 1.07 0.17 4.05 2.04 -0.46 -1.60 117.51 122.52 1zll h ILE 40 Ca -0.01 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1zll h ILE 40 Cb 0.24 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1zll h ILE 40 CO 0.01 0.09 -0.08 0.00 0.00 0.00 0.00 178.15 178.17 1zll h LEU 42 N -0.29 0.00 0.26 0.00 4.07 -1.34 -1.48 115.31 116.53 1zll h LEU 42 Ca -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 1zll h LEU 42 Cb 0.18 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.92 1zll h LEU 42 CO 0.04 0.00 -0.12 -0.07 -1.08 0.00 0.00 178.44 177.21 1zll h LEU 43 N 0.00 -0.29 -1.00 1.67 3.38 -0.97 -2.27 115.31 115.82 1zll h LEU 43 Ca 0.54 0.01 0.31 0.00 0.09 0.00 0.00 57.88 58.83 1zll h LEU 43 Cb 2.43 0.08 -0.15 0.00 0.09 0.00 0.00 40.66 43.11 1zll h LEU 43 CO -0.01 -0.12 0.56 -0.07 0.09 0.00 0.00 178.44 178.89 1zll h LEU 44 N -0.51 0.51 -0.45 1.67 3.38 -0.48 0.51 115.31 119.94 1zll h LEU 44 Ca -0.04 0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1zll h LEU 44 Cb 0.26 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1zll h LEU 44 CO 0.06 -0.12 0.22 0.40 0.09 0.00 0.00 178.44 179.09 1zll h ILE 45 N 0.34 1.18 0.36 1.22 2.04 -1.39 -1.76 117.51 119.51 1zll h ILE 45 Ca 0.72 -0.50 -0.00 0.00 1.00 0.00 0.00 64.86 66.08 1zll h ILE 45 Cb 1.63 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 38.36 1zll h ILE 45 CO -0.60 0.19 -0.49 0.00 0.00 0.00 0.00 178.15 177.25 1zll h ILE 47 N -0.89 0.37 0.17 0.00 2.04 -1.25 -0.62 117.51 117.32 1zll h ILE 47 Ca -0.04 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.82 1zll h ILE 47 Cb 0.81 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1zll h ILE 47 CO -0.14 0.01 -0.22 0.40 0.00 0.00 0.00 178.15 178.20 1zll h ILE 48 N 0.04 0.51 -0.63 -0.67 2.04 -0.69 -0.64 117.51 117.47 1zll h ILE 48 Ca 0.34 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.38 1zll h ILE 48 Cb 0.55 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1zll h ILE 48 CO -0.65 0.00 0.61 0.58 0.00 0.00 0.00 178.15 178.69 1zll h VAL 49 N -0.45 0.36 0.09 1.67 2.07 0.44 0.20 116.25 120.62 1zll h VAL 49 Ca 0.01 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.27 1zll h VAL 49 Cb 0.44 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1zll h VAL 49 CO -0.08 0.00 -1.22 0.24 0.02 0.00 0.00 177.57 176.53 1zll h MET 50 N 0.00 0.19 -0.03 1.57 2.86 -0.36 -3.28 114.93 115.87 1zll h MET 50 Ca 0.30 -0.33 -0.14 0.00 -2.06 0.00 0.00 59.70 57.48 1zll h MET 50 Cb 1.52 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 33.28 1zll h MET 50 CO -0.00 1.13 -0.60 -0.07 1.06 0.00 0.00 176.91 178.43 1zll h LEU 51 N 0.05 0.12 0.00 1.22 3.38 -0.05 -3.52 115.31 116.51 1zll h LEU 51 Ca -0.12 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1zll h LEU 51 Cb 1.92 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.64 1zll h LEU 51 CO 0.18 0.69 0.00 0.18 0.09 0.00 0.00 178.44 179.58