#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 -4.36 120.64 119.34 1zll n GLU 2 Ca 0.00 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.67 1zll n GLU 2 Cb 0.00 -1.21 -0.07 0.00 0.27 0.00 0.00 31.44 30.44 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 0.46 0.03 5.31 1.57 -2.05 -2.74 116.57 119.15 1zll h LYS 3 Ca 0.00 -0.52 -0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1zll h LYS 3 Cb 0.00 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1zll h LYS 3 CO 0.00 1.17 -0.01 0.28 -0.57 0.00 0.00 179.45 180.31 1zll h VAL 4 N 0.25 1.10 -0.50 0.50 2.07 -2.00 -2.73 116.25 114.93 1zll h VAL 4 Ca -0.10 -1.70 0.15 0.00 0.82 0.00 0.00 66.70 65.87 1zll h VAL 4 Cb 1.64 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 33.41 1zll h VAL 4 CO 0.18 0.35 0.53 -0.61 0.02 0.00 0.00 177.57 178.05 1zll h GLN 5 N -0.96 0.00 0.12 1.57 5.75 -1.91 0.51 115.11 120.19 1zll h GLN 5 Ca -0.00 0.00 -0.27 0.00 -0.15 0.00 0.00 58.65 58.23 1zll h GLN 5 Cb 0.61 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.16 1zll h GLN 5 CO 0.01 0.00 -1.21 -0.92 -2.65 0.00 0.00 178.83 174.05 1zll h TYR 6 N 0.00 0.48 0.07 3.99 3.20 -1.48 -2.53 116.97 120.69 1zll h TYR 6 Ca 0.24 -0.34 -0.13 0.00 3.14 0.00 0.00 58.73 61.63 1zll h TYR 6 Cb 1.31 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.56 1zll h TYR 6 CO 0.00 1.26 -0.62 -0.07 -1.64 0.00 0.00 178.16 177.09 1zll h LEU 7 N 0.08 0.22 -1.14 2.82 4.07 0.19 -2.24 115.31 119.31 1zll h LEU 7 Ca -0.13 -0.91 -0.04 0.00 0.08 0.00 0.00 57.88 56.89 1zll h LEU 7 Cb 1.94 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 43.58 1zll h LEU 7 CO 0.20 1.28 0.20 0.74 -1.08 0.00 0.00 178.44 179.77 1zll h THR 8 N -0.68 1.21 -0.00 0.22 2.02 -0.83 -1.88 112.91 112.97 1zll h THR 8 Ca -0.13 -0.68 -0.15 0.00 0.77 0.00 0.00 66.41 66.22 1zll h THR 8 Cb 1.37 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 1zll h THR 8 CO 0.04 0.26 -0.71 -0.09 0.37 0.00 0.00 175.52 175.39 1zll h ARG 9 N 0.79 0.02 -0.09 6.66 2.43 -1.53 -2.48 114.38 120.19 1zll h ARG 9 Ca 0.19 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.25 1zll h ARG 9 Cb 0.19 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1zll h ARG 9 CO -0.01 0.72 -0.33 1.03 -1.51 0.00 0.00 179.97 179.87 1zll h SER 10 N 0.01 0.17 0.10 -3.80 0.87 -0.72 -2.40 113.55 107.79 1zll h SER 10 Ca -0.01 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 1zll h SER 10 Cb 1.26 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1zll h SER 10 CO 0.09 0.49 -0.05 0.00 -0.53 0.00 0.00 176.83 176.84 1zll h ALA 11 N 1.52 -0.17 -0.46 6.23 0.00 -1.18 -2.43 119.26 122.77 1zll h ALA 11 Ca 0.02 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.03 1zll h ALA 11 Cb 0.66 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1zll h ALA 11 CO 0.05 -0.16 0.71 0.82 0.00 0.00 0.00 179.25 180.67 1zll h ILE 12 N -0.80 0.14 0.22 0.00 2.04 -1.53 0.95 117.51 118.54 1zll h ILE 12 Ca -0.01 0.00 -0.33 0.00 1.00 0.00 0.00 64.86 65.51 1zll h ILE 12 Cb 0.11 0.39 0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1zll h ILE 12 CO 0.02 0.00 -1.52 -0.09 0.00 0.00 0.00 178.15 176.56 1zll h ARG 13 N 0.00 0.47 -0.02 2.37 2.43 -1.45 -3.18 114.38 115.01 1zll h ARG 13 Ca 0.22 -0.81 0.00 0.00 -0.81 0.00 0.00 59.98 58.58 1zll h ARG 13 Cb 1.65 0.30 0.00 0.00 -0.42 0.00 0.00 29.97 31.50 1zll h ARG 13 CO -0.00 1.38 -0.13 2.89 -1.51 0.00 0.00 179.97 182.59 1zll n ARG 14 N -3.66 1.54 -0.17 0.20 1.85 0.19 -3.92 116.66 112.69 1zll n ARG 14 Ca -0.18 -1.07 0.06 0.00 -1.00 0.00 0.00 57.85 55.66 1zll n ARG 14 Cb 1.09 -1.48 0.15 0.00 -1.05 0.00 0.00 32.46 31.18 1zll n ARG 14 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1zll n ALA 15 N 0.21 2.25 1.31 2.89 0.00 0.27 -4.43 120.51 123.00 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 0.43 -0.49 0.49 0.00 0.00 0.00 0.00 19.45 19.88 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 0.67 0.00 -1.55 0.00 3.41 -1.20 -2.22 113.62 112.72 1zll n SER 16 Ca 0.12 -0.79 -0.12 0.00 -0.26 0.00 0.00 58.87 57.82 1zll n SER 16 Cb 0.43 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.57 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 -0.89 2.79 -4.16 6.66 -2.24 -1.26 -4.97 114.28 110.20 1zll n THR 17 Ca 0.12 -2.52 -0.10 0.00 -2.27 0.00 0.00 64.05 59.28 1zll n THR 17 Cb 0.06 -0.40 -0.10 0.00 -2.10 0.00 0.00 70.33 67.79 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 -3.32 0.21 -0.45 2.28 1.01 -0.94 -5.12 121.20 114.87 1zll s ILE 18 Ca 0.49 -1.92 0.05 0.00 0.00 0.00 0.00 60.65 59.27 1zll s ILE 18 Cb 0.43 -2.04 0.18 0.00 0.01 0.00 0.00 42.46 41.04 1zll s ILE 18 CO 0.03 -0.49 0.50 -1.61 0.00 0.00 0.00 174.94 173.37 1zll s GLU 19 N -4.02 0.93 -0.04 2.79 2.02 -1.26 -5.10 118.70 114.02 1zll s GLU 19 Ca 0.23 -1.52 -0.15 0.00 0.02 0.00 0.00 54.97 53.56 1zll s GLU 19 Cb 0.07 -0.78 0.03 0.00 0.10 0.00 0.00 34.13 33.55 1zll s GLU 19 CO 0.02 -1.34 0.33 -1.64 0.02 0.00 0.00 175.26 172.65 1zll s MET 20 N 0.58 0.63 0.00 1.61 -1.94 -1.26 -5.02 119.30 113.90 1zll s MET 20 Ca 0.29 -0.05 0.00 0.00 -1.71 0.00 0.00 55.69 54.23 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 0.92 -0.35 -0.01 0.00 0.00 175.02 175.30 1zll n PRO 21 N 1.58 0.62 0.00 2.03 -0.04 -1.26 -4.84 135.00 133.09 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 0.94 -0.04 0.00 0.00 175.50 176.40 1zll n GLN 22 N 1.18 0.00 -0.28 0.54 7.27 -1.26 -3.90 117.38 120.93 1zll n GLN 22 Ca 0.00 0.00 0.26 0.00 0.07 0.00 0.00 57.00 57.33 1zll n GLN 22 Cb 0.31 0.00 0.47 0.00 2.41 0.00 0.00 30.24 33.43 1zll n GLN 22 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1zll n GLN 23 N 0.00 -0.04 -0.01 3.69 1.13 -1.26 0.21 117.38 121.10 1zll n GLN 23 Ca 0.00 1.03 -0.11 0.00 -1.94 0.00 0.00 57.00 55.98 1zll n GLN 23 Cb 0.00 -1.90 0.03 0.00 0.11 0.00 0.00 30.24 28.48 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 0.63 0.34 -1.58 0.00 -1.93 -1.42 119.26 116.74 1zll h ALA 24 Ca 0.66 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1zll h ALA 24 Cb 1.86 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.54 1zll h ALA 24 CO -0.52 0.69 -0.40 -0.09 0.00 0.00 0.00 179.25 178.93 1zll h ARG 25 N 0.46 -0.75 0.50 0.00 2.43 0.21 0.25 114.38 117.48 1zll h ARG 25 Ca 0.00 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1zll h ARG 25 Cb 1.14 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 1zll h ARG 25 CO 0.11 -0.50 -0.24 0.37 -1.51 0.00 0.00 179.97 178.20 1zll h GLN 26 N -0.78 -0.65 -0.93 0.20 4.15 -1.50 -2.49 115.11 113.10 1zll h GLN 26 Ca -0.02 0.04 0.13 0.00 0.77 0.00 0.00 58.65 59.57 1zll h GLN 26 Cb 0.72 0.15 -0.08 0.00 0.21 0.00 0.00 27.48 28.48 1zll h GLN 26 CO -0.10 -0.37 0.59 0.87 -1.93 0.00 0.00 178.83 177.90 1zll h LYS 27 N -0.83 0.78 -0.03 1.69 1.79 -1.22 -2.65 116.57 116.09 1zll h LYS 27 Ca -0.07 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.35 1zll h LYS 27 Cb 0.58 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1zll h LYS 27 CO 0.11 0.52 -0.01 -0.07 -1.08 0.00 0.00 179.45 178.92 1zll h LEU 28 N 0.81 0.07 -0.18 2.94 3.38 -0.38 0.13 115.31 122.08 1zll h LEU 28 Ca 0.46 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1zll h LEU 28 Cb 0.62 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1zll h LEU 28 CO -0.23 0.44 -0.03 0.06 0.09 0.00 0.00 178.44 178.77 1zll h GLN 29 N -0.30 0.02 0.36 1.13 3.07 -1.10 0.63 115.11 118.92 1zll h GLN 29 Ca 0.01 -0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.73 1zll h GLN 29 Cb 0.41 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.97 1zll h GLN 29 CO 0.00 0.01 -0.17 -0.91 0.09 0.00 0.00 178.83 177.85 1zll h ASN 30 N 0.02 -0.41 -0.81 0.06 2.35 -1.55 -2.61 115.58 112.62 1zll h ASN 30 Ca 0.09 -0.12 0.14 0.00 -0.55 0.00 0.00 56.30 55.86 1zll h ASN 30 Cb 0.13 0.11 -0.06 0.00 0.05 0.00 0.00 38.32 38.54 1zll h ASN 30 CO -0.17 0.04 0.53 -0.07 -1.65 0.00 0.00 177.43 176.11 1zll h LEU 31 N -1.02 0.52 0.64 1.61 -0.00 -0.70 -2.59 115.31 113.77 1zll h LEU 31 Ca -0.05 0.03 -0.03 0.00 -0.00 0.00 0.00 57.88 57.83 1zll h LEU 31 Cb 0.50 -0.08 0.01 0.00 -0.00 0.00 0.00 40.66 41.09 1zll h LEU 31 CO 0.08 0.27 -0.31 0.15 -0.00 0.00 0.00 178.44 178.64 1zll h PHE 32 N 0.55 -0.79 -0.73 1.13 3.57 0.29 -0.08 116.94 120.88 1zll h PHE 32 Ca 0.40 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.98 1zll h PHE 32 Cb 0.76 0.26 -0.12 0.00 2.79 0.00 0.00 35.95 39.64 1zll h PHE 32 CO -0.00 -0.49 -0.47 0.82 -2.23 0.00 0.00 178.31 175.94 1zll h ILE 33 N -0.98 0.04 -0.90 1.41 2.04 -1.10 0.87 117.51 118.89 1zll h ILE 33 Ca -0.09 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.86 1zll h ILE 33 Cb 0.65 0.04 -0.06 0.00 -0.74 0.00 0.00 36.82 36.72 1zll h ILE 33 CO 0.14 0.00 0.58 -0.55 0.00 0.00 0.00 178.15 178.33 1zll h ASN 34 N -0.15 0.85 -0.35 1.72 7.08 -1.47 0.19 115.58 123.45 1zll h ASN 34 Ca 0.20 0.02 -0.05 0.00 -3.08 0.00 0.00 56.30 53.38 1zll h ASN 34 Cb 0.54 -0.16 -0.02 0.00 -2.08 0.00 0.00 38.32 36.60 1zll h ASN 34 CO -0.79 0.52 0.05 0.15 -2.08 0.00 0.00 177.43 175.28 1zll h PHE 35 N 0.95 0.69 0.10 4.14 3.57 0.24 -2.72 116.94 123.93 1zll h PHE 35 Ca 0.41 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 1zll h PHE 35 Cb 0.32 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.86 1zll h PHE 35 CO -0.00 0.63 -0.05 0.00 -2.23 0.00 0.00 178.31 176.66 1zll h LEU 37 N -0.28 -0.52 -1.03 0.00 3.38 -1.05 0.27 115.31 116.08 1zll h LEU 37 Ca -0.01 0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1zll h LEU 37 Cb 0.23 0.30 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1zll h LEU 37 CO 0.02 -0.18 0.05 0.40 0.09 0.00 0.00 178.44 178.82 1zll h ILE 38 N -0.07 1.23 0.02 1.22 2.04 -1.32 -1.99 117.51 118.63 1zll h ILE 38 Ca 0.19 -0.89 -0.00 0.00 1.00 0.00 0.00 64.86 65.16 1zll h ILE 38 Cb 0.36 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1zll h ILE 38 CO -0.44 0.32 -0.01 0.25 0.00 0.00 0.00 178.15 178.27 1zll h LEU 39 N 0.71 -0.02 -1.58 1.44 5.85 0.14 -2.18 115.31 119.67 1zll h LEU 39 Ca 0.15 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1zll h LEU 39 Cb 0.37 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1zll h LEU 39 CO 0.01 0.19 0.27 0.40 -0.34 0.00 0.00 178.44 178.98 1zll h ILE 40 N -0.23 1.11 0.17 4.05 2.04 -0.45 -1.64 117.51 122.56 1zll h ILE 40 Ca -0.00 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1zll h ILE 40 Cb 0.22 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 1zll h ILE 40 CO 0.00 0.11 -0.08 0.00 0.00 0.00 0.00 178.15 178.18 1zll h LEU 42 N -0.28 0.00 0.29 0.00 4.07 -1.35 -1.39 115.31 116.66 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 0.17 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 -0.14 -0.07 -1.08 0.00 0.00 178.44 177.19 1zll h LEU 43 N 0.00 -0.33 -0.99 1.67 3.38 -0.97 -2.31 115.31 115.77 1zll h LEU 43 Ca 0.51 0.01 0.29 0.00 0.09 0.00 0.00 57.88 58.78 1zll h LEU 43 Cb 2.39 0.09 -0.14 0.00 0.09 0.00 0.00 40.66 43.08 1zll h LEU 43 CO -0.01 -0.13 0.55 -0.07 0.09 0.00 0.00 178.44 178.87 1zll h LEU 44 N -0.60 0.53 -0.52 1.67 3.38 -0.45 0.52 115.31 119.83 1zll h LEU 44 Ca -0.04 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1zll h LEU 44 Cb 0.30 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1zll h LEU 44 CO 0.07 -0.06 0.30 0.40 0.09 0.00 0.00 178.44 179.24 1zll h ILE 45 N 0.40 1.17 0.49 1.22 2.04 -1.39 -1.73 117.51 119.70 1zll h ILE 45 Ca 0.69 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 66.13 1zll h ILE 45 Cb 1.48 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 1zll h ILE 45 CO -0.57 0.18 -0.49 0.00 0.00 0.00 0.00 178.15 177.27 1zll h ILE 47 N -0.98 0.33 0.20 0.00 2.04 -1.25 -0.56 117.51 117.29 1zll h ILE 47 Ca -0.06 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1zll h ILE 47 Cb 0.85 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1zll h ILE 47 CO -0.06 0.01 -0.21 0.40 0.00 0.00 0.00 178.15 178.28 1zll h ILE 48 N 0.04 0.54 -0.63 -0.67 2.04 -0.70 -0.68 117.51 117.45 1zll h ILE 48 Ca 0.36 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.40 1zll h ILE 48 Cb 0.58 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 1zll h ILE 48 CO -0.69 0.00 0.61 0.58 0.00 0.00 0.00 178.15 178.66 1zll h VAL 49 N -0.45 0.35 0.12 1.67 2.07 0.47 0.16 116.25 120.64 1zll h VAL 49 Ca 0.00 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.24 1zll h VAL 49 Cb 0.43 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1zll h VAL 49 CO -0.06 0.00 -1.30 0.24 0.02 0.00 0.00 177.57 176.48 1zll h MET 50 N 0.00 0.26 -0.04 1.57 2.86 -0.37 -3.28 114.93 115.92 1zll h MET 50 Ca 0.30 -0.45 -0.11 0.00 -2.06 0.00 0.00 59.70 57.38 1zll h MET 50 Cb 1.53 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 33.34 1zll h MET 50 CO -0.00 1.19 -0.48 -0.07 1.06 0.00 0.00 176.91 178.61 1zll h LEU 51 N 0.07 0.12 0.00 1.22 3.38 -0.10 -3.52 115.31 116.48 1zll h LEU 51 Ca -0.15 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1zll h LEU 51 Cb 1.98 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.70 1zll h LEU 51 CO 0.19 0.58 0.00 0.18 0.09 0.00 0.00 178.44 179.49