#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 -4.35 120.64 119.35 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 -1.25 -0.07 0.00 0.27 0.00 0.00 31.44 30.39 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 0.48 0.04 5.31 6.56 -2.05 -2.74 116.57 124.17 1zll h LYS 3 Ca 0.00 -0.55 -0.00 0.00 -1.06 0.00 0.00 60.65 59.04 1zll h LYS 3 Cb 0.00 0.16 0.00 0.00 -0.57 0.00 0.00 32.23 31.82 1zll h LYS 3 CO 0.00 1.19 -0.02 0.28 -2.06 0.00 0.00 179.45 178.84 1zll h VAL 4 N 0.25 1.09 -0.52 0.50 2.07 -2.00 -2.72 116.25 114.92 1zll h VAL 4 Ca -0.11 -1.66 0.15 0.00 0.82 0.00 0.00 66.70 65.90 1zll h VAL 4 Cb 1.67 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 33.42 1zll h VAL 4 CO 0.18 0.35 0.53 1.56 0.02 0.00 0.00 177.57 180.21 1zll h GLN 5 N -0.95 0.00 0.11 1.57 1.08 -1.91 0.51 115.11 115.52 1zll h GLN 5 Ca -0.01 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 56.93 1zll h GLN 5 Cb 0.61 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 1zll h GLN 5 CO 0.01 0.00 -1.19 -0.92 -0.95 0.00 0.00 178.83 175.78 1zll h TYR 6 N 0.00 0.50 0.07 2.96 3.20 -1.48 -2.51 116.97 119.70 1zll h TYR 6 Ca 0.25 -0.35 -0.13 0.00 3.14 0.00 0.00 58.73 61.64 1zll h TYR 6 Cb 1.30 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.55 1zll h TYR 6 CO 0.00 1.25 -0.60 -0.07 -1.64 0.00 0.00 178.16 177.10 1zll h LEU 7 N 0.09 0.22 -1.08 2.82 3.38 0.18 -2.24 115.31 118.68 1zll h LEU 7 Ca -0.12 -0.92 -0.04 0.00 0.09 0.00 0.00 57.88 56.89 1zll h LEU 7 Cb 1.90 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.55 1zll h LEU 7 CO 0.20 1.27 0.23 0.74 0.09 0.00 0.00 178.44 180.96 1zll h THR 8 N -0.68 1.22 -0.00 0.22 2.02 -0.83 -1.87 112.91 112.98 1zll h THR 8 Ca -0.13 -0.70 -0.14 0.00 0.77 0.00 0.00 66.41 66.22 1zll h THR 8 Cb 1.36 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 1zll h THR 8 CO 0.04 0.27 -0.67 -0.09 0.37 0.00 0.00 175.52 175.45 1zll h ARG 9 N 0.86 0.02 -0.09 6.66 2.43 -1.53 -2.46 114.38 120.28 1zll h ARG 9 Ca 0.20 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.27 1zll h ARG 9 Cb 0.19 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1zll h ARG 9 CO -0.02 0.68 -0.34 1.03 -1.51 0.00 0.00 179.97 179.81 1zll h SER 10 N 0.01 0.17 0.11 -3.80 0.87 -0.72 -2.45 113.55 107.75 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 1.18 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1zll h SER 10 CO 0.09 0.51 -0.05 0.00 -0.53 0.00 0.00 176.83 176.85 1zll h ALA 11 N 1.50 -0.18 -0.36 6.23 0.00 -1.16 -2.42 119.26 122.87 1zll h ALA 11 Ca 0.02 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1zll h ALA 11 Cb 0.68 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1zll h ALA 11 CO 0.05 -0.17 0.70 0.82 0.00 0.00 0.00 179.25 180.65 1zll h ILE 12 N -0.80 0.11 0.21 0.00 2.04 -1.53 0.96 117.51 118.50 1zll h ILE 12 Ca -0.01 0.00 -0.34 0.00 1.00 0.00 0.00 64.86 65.51 1zll h ILE 12 Cb 0.11 0.38 0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1zll h ILE 12 CO 0.02 0.00 -1.59 -0.09 0.00 0.00 0.00 178.15 176.49 1zll h ARG 13 N 0.00 0.44 -0.02 2.37 9.65 -1.45 -3.19 114.38 122.19 1zll h ARG 13 Ca 0.17 -0.76 0.00 0.00 -1.10 0.00 0.00 59.98 58.29 1zll h ARG 13 Cb 1.56 0.28 0.00 0.00 -1.39 0.00 0.00 29.97 30.42 1zll h ARG 13 CO -0.00 1.35 -0.15 2.89 2.80 0.00 0.00 179.97 186.87 1zll n ARG 14 N -3.63 1.48 -0.17 0.20 1.85 0.18 -3.92 116.66 112.65 1zll n ARG 14 Ca -0.20 -1.02 0.07 0.00 -1.00 0.00 0.00 57.85 55.70 1zll n ARG 14 Cb 1.09 -1.48 0.16 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 0.13 2.25 1.28 2.89 0.00 0.28 -4.43 120.51 122.92 1zll n ALA 15 Ca 0.15 -1.07 0.09 0.00 0.00 0.00 0.00 53.44 52.60 1zll n ALA 15 Cb 0.42 -0.50 0.51 0.00 0.00 0.00 0.00 19.45 19.88 1zll n ALA 15 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1zll n SER 16 N 0.70 0.00 -1.63 0.00 7.64 -1.20 -2.23 113.62 116.90 1zll n SER 16 Ca 0.13 -0.75 -0.13 0.00 1.01 0.00 0.00 58.87 59.12 1zll n SER 16 Cb 0.43 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.82 1zll n SER 16 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1zll n THR 17 N -0.92 2.84 -4.15 0.44 -2.24 -1.26 -4.97 114.28 104.01 1zll n THR 17 Ca 0.13 -2.53 -0.10 0.00 -2.27 0.00 0.00 64.05 59.28 1zll n THR 17 Cb 0.06 -0.44 -0.10 0.00 -2.10 0.00 0.00 70.33 67.75 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 -3.39 0.17 -0.45 2.28 1.01 -0.95 -5.12 121.20 114.75 1zll s ILE 18 Ca 0.50 -1.91 0.05 0.00 0.00 0.00 0.00 60.65 59.29 1zll s ILE 18 Cb 0.44 -2.00 0.18 0.00 0.01 0.00 0.00 42.46 41.08 1zll s ILE 18 CO 0.04 -0.52 0.50 -1.61 0.00 0.00 0.00 174.94 173.35 1zll s GLU 19 N -4.02 0.94 -0.04 2.79 2.02 -1.26 -5.10 118.70 114.02 1zll s GLU 19 Ca 0.22 -1.53 -0.14 0.00 0.02 0.00 0.00 54.97 53.54 1zll s GLU 19 Cb 0.07 -0.78 0.03 0.00 0.10 0.00 0.00 34.13 33.54 1zll s GLU 19 CO 0.01 -1.34 0.32 -1.64 0.02 0.00 0.00 175.26 172.62 1zll s MET 20 N 0.56 0.61 0.00 1.61 -1.94 -1.26 -5.02 119.30 113.87 1zll s MET 20 Ca 0.30 -0.05 0.00 0.00 -1.71 0.00 0.00 55.69 54.22 1zll s MET 20 Cb -0.00 0.28 0.00 0.00 2.01 0.00 0.00 34.83 37.11 1zll s MET 20 CO -0.12 -0.16 0.81 -0.35 -0.01 0.00 0.00 175.02 175.20 1zll n PRO 21 N 1.61 0.60 0.00 2.03 -0.04 -1.26 -4.84 135.00 133.10 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 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 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 1.06 0.00 -0.30 0.54 7.27 -1.26 -3.93 117.38 120.76 1zll n GLN 22 Ca 0.00 0.00 0.28 0.00 0.07 0.00 0.00 57.00 57.35 1zll n GLN 22 Cb 0.30 0.00 0.50 0.00 2.41 0.00 0.00 30.24 33.45 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 0.00 3.69 1.13 -1.26 0.21 117.38 121.11 1zll n GLN 23 Ca 0.00 1.08 -0.10 0.00 -1.94 0.00 0.00 57.00 56.04 1zll n GLN 23 Cb 0.00 -1.99 0.05 0.00 0.11 0.00 0.00 30.24 28.41 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 1.50 0.68 0.42 -1.58 0.00 -1.93 -1.41 119.26 116.94 1zll h ALA 24 Ca 0.69 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1zll h ALA 24 Cb 1.96 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 1zll h ALA 24 CO -0.54 0.69 -0.39 -0.09 0.00 0.00 0.00 179.25 178.91 1zll h ARG 25 N 0.44 -0.80 0.51 0.00 2.43 0.22 0.23 114.38 117.40 1zll h ARG 25 Ca 0.01 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1zll h ARG 25 Cb 1.10 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 1zll h ARG 25 CO 0.11 -0.53 -0.24 1.96 -1.51 0.00 0.00 179.97 179.75 1zll h GLN 26 N -0.83 -0.65 -0.88 0.20 1.08 -1.50 -2.48 115.11 110.04 1zll h GLN 26 Ca -0.04 0.04 0.13 0.00 -1.45 0.00 0.00 58.65 57.34 1zll h GLN 26 Cb 0.73 0.15 -0.07 0.00 -0.05 0.00 0.00 27.48 28.24 1zll h GLN 26 CO -0.05 -0.37 0.57 0.87 -0.95 0.00 0.00 178.83 178.90 1zll h LYS 27 N -0.82 0.70 -0.03 1.46 6.56 -1.23 -2.66 116.57 120.55 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 0.58 -0.16 -0.00 0.00 -0.57 0.00 0.00 32.23 32.08 1zll h LYS 27 CO 0.11 0.47 -0.02 -0.07 -2.06 0.00 0.00 179.45 177.88 1zll h LEU 28 N 0.73 0.07 -0.19 2.94 3.38 -0.41 0.11 115.31 121.94 1zll h LEU 28 Ca 0.44 -0.45 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1zll h LEU 28 Cb 0.65 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1zll h LEU 28 CO -0.20 0.51 -0.04 1.56 0.09 0.00 0.00 178.44 180.37 1zll h GLN 29 N -0.36 0.01 0.38 1.13 1.08 -1.11 0.65 115.11 116.89 1zll h GLN 29 Ca 0.01 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 1zll h GLN 29 Cb 0.49 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1zll h GLN 29 CO 0.01 0.01 -0.18 -0.97 -0.95 0.00 0.00 178.83 176.74 1zll h ASN 30 N 0.01 -0.44 -0.87 1.46 -1.24 -1.56 -2.61 115.58 110.34 1zll h ASN 30 Ca 0.09 -0.09 0.16 0.00 0.71 0.00 0.00 56.30 57.18 1zll h ASN 30 Cb 0.13 0.11 -0.07 0.00 0.73 0.00 0.00 38.32 39.23 1zll h ASN 30 CO -0.19 0.01 0.57 -0.07 -1.29 0.00 0.00 177.43 176.46 1zll h LEU 31 N -1.05 0.55 0.68 0.34 3.38 -0.75 -2.54 115.31 115.93 1zll h LEU 31 Ca -0.05 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1zll h LEU 31 Cb 0.50 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.19 1zll h LEU 31 CO 0.09 0.26 -0.33 0.15 0.09 0.00 0.00 178.44 178.70 1zll h PHE 32 N 0.58 -0.85 -0.64 1.13 3.57 0.31 0.06 116.94 121.10 1zll h PHE 32 Ca 0.44 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 62.00 1zll h PHE 32 Cb 0.86 0.28 -0.10 0.00 2.79 0.00 0.00 35.95 39.78 1zll h PHE 32 CO -0.00 -0.53 -0.52 0.82 -2.23 0.00 0.00 178.31 175.84 1zll h ILE 33 N -1.03 0.02 -0.99 1.41 2.04 -1.06 0.76 117.51 118.67 1zll h ILE 33 Ca -0.09 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.90 1zll h ILE 33 Cb 0.71 0.02 -0.09 0.00 -0.74 0.00 0.00 36.82 36.72 1zll h ILE 33 CO 0.15 0.00 0.61 -0.55 0.00 0.00 0.00 178.15 178.36 1zll h ASN 34 N -0.23 0.86 -0.49 1.72 7.08 -1.48 0.25 115.58 123.30 1zll h ASN 34 Ca 0.14 0.06 -0.03 0.00 -3.08 0.00 0.00 56.30 53.39 1zll h ASN 34 Cb 0.54 -0.10 -0.03 0.00 -2.08 0.00 0.00 38.32 36.65 1zll h ASN 34 CO -0.73 0.42 0.21 0.15 -2.08 0.00 0.00 177.43 175.39 1zll h PHE 35 N 0.91 0.77 0.13 4.14 3.57 0.23 -2.69 116.94 124.00 1zll h PHE 35 Ca 0.51 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.97 1zll h PHE 35 Cb 0.60 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.10 1zll h PHE 35 CO -0.01 0.60 -0.06 0.00 -2.23 0.00 0.00 178.31 176.60 1zll h LEU 37 N -0.30 -0.69 -1.16 0.00 3.38 -1.03 0.27 115.31 115.78 1zll h LEU 37 Ca -0.02 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1zll h LEU 37 Cb 0.24 0.35 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1zll h LEU 37 CO 0.03 -0.24 0.22 0.40 0.09 0.00 0.00 178.44 178.94 1zll h ILE 38 N -0.16 1.20 -0.01 1.22 2.04 -1.34 -1.93 117.51 118.53 1zll h ILE 38 Ca 0.17 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.39 1zll h ILE 38 Cb 0.43 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1zll h ILE 38 CO -0.44 0.25 0.00 0.25 0.00 0.00 0.00 178.15 178.22 1zll h LEU 39 N 0.80 0.01 -1.56 1.44 5.85 0.15 -2.18 115.31 119.82 1zll h LEU 39 Ca 0.19 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1zll h LEU 39 Cb 0.16 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1zll h LEU 39 CO -0.02 0.24 0.25 0.40 -0.34 0.00 0.00 178.44 178.97 1zll h ILE 40 N -0.22 1.11 0.21 4.05 2.04 -0.42 -1.63 117.51 122.66 1zll h ILE 40 Ca 0.00 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1zll h ILE 40 Cb 0.23 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1zll h ILE 40 CO 0.00 0.12 -0.10 0.00 0.00 0.00 0.00 178.15 178.17 1zll h LEU 42 N -0.34 0.00 0.30 0.00 4.07 -1.34 -1.44 115.31 116.56 1zll h LEU 42 Ca -0.03 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 1zll h LEU 42 Cb 0.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.96 1zll h LEU 42 CO 0.05 0.00 -0.14 -0.07 -1.08 0.00 0.00 178.44 177.19 1zll h LEU 43 N 0.00 -0.34 -1.00 1.67 3.38 -0.96 -2.28 115.31 115.78 1zll h LEU 43 Ca 0.47 0.01 0.29 0.00 0.09 0.00 0.00 57.88 58.75 1zll h LEU 43 Cb 2.22 0.09 -0.14 0.00 0.09 0.00 0.00 40.66 42.92 1zll h LEU 43 CO -0.00 -0.14 0.58 -0.07 0.09 0.00 0.00 178.44 178.89 1zll h LEU 44 N -0.61 0.58 -0.44 1.67 3.38 -0.46 0.47 115.31 119.90 1zll h LEU 44 Ca -0.04 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1zll h LEU 44 Cb 0.31 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1zll h LEU 44 CO 0.07 -0.05 0.23 0.40 0.09 0.00 0.00 178.44 179.19 1zll h ILE 45 N 0.42 1.17 0.35 1.22 2.04 -1.39 -1.74 117.51 119.58 1zll h ILE 45 Ca 0.70 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 66.12 1zll h ILE 45 Cb 1.50 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 1zll h ILE 45 CO -0.56 0.18 -0.49 0.00 0.00 0.00 0.00 178.15 177.28 1zll h ILE 47 N -0.88 0.37 0.16 0.00 2.04 -1.25 -0.66 117.51 117.28 1zll h ILE 47 Ca -0.03 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.83 1zll h ILE 47 Cb 0.81 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1zll h ILE 47 CO -0.15 0.00 -0.24 0.40 0.00 0.00 0.00 178.15 178.17 1zll h ILE 48 N 0.02 0.47 -0.64 -0.67 2.04 -0.70 -0.55 117.51 117.48 1zll h ILE 48 Ca 0.32 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.37 1zll h ILE 48 Cb 0.51 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1zll h ILE 48 CO -0.65 0.00 0.62 0.58 0.00 0.00 0.00 178.15 178.70 1zll h VAL 49 N -0.47 0.35 0.11 1.67 2.07 0.41 0.18 116.25 120.57 1zll h VAL 49 Ca 0.02 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.27 1zll h VAL 49 Cb 0.47 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1zll h VAL 49 CO -0.11 0.00 -1.27 0.24 0.02 0.00 0.00 177.57 176.45 1zll h MET 50 N 0.00 0.23 -0.05 1.57 2.86 -0.35 -3.28 114.93 115.90 1zll h MET 50 Ca 0.31 -0.38 -0.12 0.00 -2.06 0.00 0.00 59.70 57.44 1zll h MET 50 Cb 1.55 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 33.34 1zll h MET 50 CO -0.00 1.16 -0.54 -0.07 1.06 0.00 0.00 176.91 178.52 1zll h LEU 51 N 0.06 0.15 0.00 1.22 3.38 -0.07 -3.52 115.31 116.54 1zll h LEU 51 Ca -0.14 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1zll h LEU 51 Cb 1.95 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.66 1zll h LEU 51 CO 0.18 0.66 0.00 0.18 0.09 0.00 0.00 178.44 179.55