#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 0.08 2.12 0.00 -1.26 -4.30 120.64 117.27 1zll n GLU 2 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 57.16 57.00 1zll n GLU 2 Cb 0.00 -1.43 -0.08 0.00 0.00 0.00 0.00 31.44 29.94 1zll n GLU 2 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1zll h LYS 3 N 0.00 0.44 0.03 5.31 1.57 -2.05 -2.75 116.57 119.12 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 0.22 1.05 -0.55 0.50 2.07 -2.00 -2.74 116.25 114.81 1zll h VAL 4 Ca -0.11 -1.67 0.16 0.00 0.82 0.00 0.00 66.70 65.90 1zll h VAL 4 Cb 1.70 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 33.40 1zll h VAL 4 CO 0.18 0.34 0.56 1.56 0.02 0.00 0.00 177.57 180.24 1zll h GLN 5 N -0.96 0.00 0.11 1.57 4.20 -1.91 0.53 115.11 118.65 1zll h GLN 5 Ca -0.00 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.44 1zll h GLN 5 Cb 0.59 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1zll h GLN 5 CO 0.01 0.00 -1.19 -0.92 -0.67 0.00 0.00 178.83 176.05 1zll h TYR 6 N 0.00 0.48 0.06 2.96 3.20 -1.49 -2.52 116.97 119.67 1zll h TYR 6 Ca 0.26 -0.34 -0.13 0.00 3.14 0.00 0.00 58.73 61.67 1zll h TYR 6 Cb 1.39 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.64 1zll h TYR 6 CO 0.00 1.25 -0.61 -0.07 -1.64 0.00 0.00 178.16 177.09 1zll h LEU 7 N 0.09 0.21 -1.08 2.82 3.38 0.21 -2.24 115.31 118.70 1zll h LEU 7 Ca -0.12 -0.91 -0.03 0.00 0.09 0.00 0.00 57.88 56.90 1zll h LEU 7 Cb 1.91 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.56 1zll h LEU 7 CO 0.20 1.27 0.25 0.74 0.09 0.00 0.00 178.44 180.99 1zll h THR 8 N -0.69 1.22 -0.01 0.22 2.02 -0.83 -1.86 112.91 112.97 1zll h THR 8 Ca -0.13 -0.67 -0.14 0.00 0.77 0.00 0.00 66.41 66.24 1zll h THR 8 Cb 1.36 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 1zll h THR 8 CO 0.04 0.27 -0.66 -0.09 0.37 0.00 0.00 175.52 175.45 1zll h ARG 9 N 0.89 0.04 -0.10 6.66 2.43 -1.53 -2.46 114.38 120.31 1zll h ARG 9 Ca 0.21 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.27 1zll h ARG 9 Cb 0.16 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1zll h ARG 9 CO -0.02 0.68 -0.32 1.03 -1.51 0.00 0.00 179.97 179.83 1zll h SER 10 N 0.02 0.20 0.12 -3.80 0.87 -0.71 -2.41 113.55 107.84 1zll h SER 10 Ca -0.01 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 1zll h SER 10 Cb 1.17 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1zll h SER 10 CO 0.09 0.52 -0.06 0.00 -0.53 0.00 0.00 176.83 176.85 1zll h ALA 11 N 1.50 -0.20 -0.46 6.23 0.00 -1.16 -2.42 119.26 122.74 1zll h ALA 11 Ca 0.02 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.03 1zll h ALA 11 Cb 0.66 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1zll h ALA 11 CO 0.05 -0.19 0.73 0.82 0.00 0.00 0.00 179.25 180.66 1zll h ILE 12 N -0.78 0.14 0.21 0.00 2.04 -1.53 0.94 117.51 118.53 1zll h ILE 12 Ca -0.02 0.00 -0.33 0.00 1.00 0.00 0.00 64.86 65.51 1zll h ILE 12 Cb 0.12 0.37 0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1zll h ILE 12 CO 0.03 0.00 -1.52 -0.09 0.00 0.00 0.00 178.15 176.57 1zll h ARG 13 N 0.00 0.45 -0.02 2.37 9.65 -1.45 -3.17 114.38 122.21 1zll h ARG 13 Ca 0.22 -0.76 0.00 0.00 -1.10 0.00 0.00 59.98 58.33 1zll h ARG 13 Cb 1.67 0.28 0.00 0.00 -1.39 0.00 0.00 29.97 30.54 1zll h ARG 13 CO -0.00 1.36 -0.13 2.89 2.80 0.00 0.00 179.97 186.89 1zll n ARG 14 N -3.64 1.59 -0.15 0.20 1.85 0.19 -3.93 116.66 112.78 1zll n ARG 14 Ca -0.17 -1.13 0.06 0.00 -1.00 0.00 0.00 57.85 55.61 1zll n ARG 14 Cb 1.08 -1.48 0.14 0.00 -1.05 0.00 0.00 32.46 31.16 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 0.28 2.27 1.20 2.89 0.00 0.27 -4.43 120.51 122.98 1zll n ALA 15 Ca 0.15 -1.03 0.08 0.00 0.00 0.00 0.00 53.44 52.64 1zll n ALA 15 Cb 0.44 -0.47 0.49 0.00 0.00 0.00 0.00 19.45 19.90 1zll n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1zll n SER 16 N 0.66 0.00 -1.62 0.00 2.88 -1.20 -2.19 113.62 112.14 1zll n SER 16 Ca 0.12 -0.69 -0.13 0.00 -1.33 0.00 0.00 58.87 56.84 1zll n SER 16 Cb 0.42 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 64.06 1zll n SER 16 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1zll n THR 17 N -0.93 2.84 -4.16 2.46 -2.24 -1.26 -4.97 114.28 106.02 1zll n THR 17 Ca 0.12 -2.50 -0.10 0.00 -2.27 0.00 0.00 64.05 59.31 1zll n THR 17 Cb 0.06 -0.42 -0.10 0.00 -2.10 0.00 0.00 70.33 67.76 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 -3.36 0.21 -0.44 2.28 1.01 -0.93 -5.12 121.20 114.85 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 -2.01 0.17 0.00 0.01 0.00 0.00 42.46 41.07 1zll s ILE 18 CO 0.04 -0.51 0.48 -1.61 0.00 0.00 0.00 174.94 173.34 1zll s GLU 19 N -4.02 0.91 -0.05 2.79 2.02 -1.26 -5.10 118.70 113.99 1zll s GLU 19 Ca 0.23 -1.49 -0.15 0.00 0.02 0.00 0.00 54.97 53.57 1zll s GLU 19 Cb 0.07 -0.79 0.03 0.00 0.10 0.00 0.00 34.13 33.54 1zll s GLU 19 CO 0.01 -1.33 0.35 -1.64 0.02 0.00 0.00 175.26 172.67 1zll s MET 20 N 0.62 0.62 0.00 1.61 -1.94 -1.26 -5.02 119.30 113.93 1zll s MET 20 Ca 0.29 0.05 0.00 0.00 -1.71 0.00 0.00 55.69 54.31 1zll s MET 20 Cb -0.01 0.28 0.00 0.00 2.01 0.00 0.00 34.83 37.11 1zll s MET 20 CO -0.11 -0.15 0.80 -0.35 -0.01 0.00 0.00 175.02 175.20 1zll n PRO 21 N 1.74 0.55 0.00 2.03 -0.04 -1.26 -4.84 135.00 133.18 1zll n PRO 21 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1zll n PRO 21 Cb 0.56 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 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 1.19 0.00 -0.27 0.54 3.00 -1.26 -3.90 117.38 116.68 1zll n GLN 22 Ca 0.00 0.00 0.26 0.00 -0.01 0.00 0.00 57.00 57.25 1zll n GLN 22 Cb 0.27 0.00 0.47 0.00 0.00 0.00 0.00 30.24 30.98 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 -0.01 -1.09 6.02 -1.26 0.21 117.38 121.21 1zll n GLN 23 Ca 0.00 1.05 -0.09 0.00 -0.01 0.00 0.00 57.00 57.94 1zll n GLN 23 Cb 0.00 -1.91 0.06 0.00 1.02 0.00 0.00 30.24 29.40 1zll n GLN 23 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1zll h ALA 24 N 1.49 0.71 0.37 -1.58 0.00 -1.93 -1.39 119.26 116.93 1zll h ALA 24 Ca 0.66 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1zll h ALA 24 Cb 1.81 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.49 1zll h ALA 24 CO -0.56 0.68 -0.37 -0.09 0.00 0.00 0.00 179.25 178.91 1zll h ARG 25 N 0.47 -0.74 0.50 0.00 2.43 0.22 0.23 114.38 117.49 1zll h ARG 25 Ca 0.02 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1zll h ARG 25 Cb 1.05 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 1zll h ARG 25 CO 0.10 -0.49 -0.24 1.96 -1.51 0.00 0.00 179.97 179.78 1zll h GLN 26 N -0.77 -0.65 -0.94 0.20 4.20 -1.50 -2.50 115.11 113.16 1zll h GLN 26 Ca -0.03 0.04 0.14 0.00 0.06 0.00 0.00 58.65 58.87 1zll h GLN 26 Cb 0.69 0.15 -0.08 0.00 0.30 0.00 0.00 27.48 28.54 1zll h GLN 26 CO -0.06 -0.36 0.60 0.87 -0.67 0.00 0.00 178.83 179.21 1zll h LYS 27 N -0.85 0.76 -0.03 1.46 1.57 -1.23 -2.64 116.57 115.60 1zll h LYS 27 Ca -0.07 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1zll h LYS 27 Cb 0.59 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 1zll h LYS 27 CO 0.11 0.50 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.41 1zll h LEU 28 N 0.78 0.07 -0.21 2.94 4.07 -0.41 0.13 115.31 122.69 1zll h LEU 28 Ca 0.48 -0.40 0.04 0.00 0.08 0.00 0.00 57.88 58.08 1zll h LEU 28 Cb 0.69 -0.02 -0.03 0.00 1.08 0.00 0.00 40.66 42.38 1zll h LEU 28 CO -0.24 0.45 -0.01 1.56 -1.08 0.00 0.00 178.44 179.12 1zll h GLN 29 N -0.31 0.05 0.33 1.13 1.08 -1.09 0.65 115.11 116.94 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 0.42 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1zll h GLN 29 CO 0.00 0.03 -0.16 -0.91 -0.95 0.00 0.00 178.83 176.85 1zll h ASN 30 N 0.05 -0.37 -0.85 1.46 -0.26 -1.55 -2.63 115.58 111.43 1zll h ASN 30 Ca 0.10 -0.14 0.13 0.00 -0.56 0.00 0.00 56.30 55.83 1zll h ASN 30 Cb 0.13 0.10 -0.06 0.00 -1.06 0.00 0.00 38.32 37.42 1zll h ASN 30 CO -0.17 0.09 0.55 -0.07 -1.06 0.00 0.00 177.43 176.76 1zll h LEU 31 N -1.00 0.62 0.61 1.61 4.07 -0.70 -2.61 115.31 117.91 1zll h LEU 31 Ca -0.05 0.03 -0.03 0.00 0.08 0.00 0.00 57.88 57.92 1zll h LEU 31 Cb 0.49 -0.09 0.01 0.00 1.08 0.00 0.00 40.66 42.14 1zll h LEU 31 CO 0.07 0.33 -0.29 0.15 -1.08 0.00 0.00 178.44 177.62 1zll h PHE 32 N 0.67 -0.76 -0.81 1.13 3.57 0.31 0.17 116.94 121.21 1zll h PHE 32 Ca 0.42 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.99 1zll h PHE 32 Cb 0.67 0.25 -0.12 0.00 2.79 0.00 0.00 35.95 39.54 1zll h PHE 32 CO -0.00 -0.47 -0.52 0.82 -2.23 0.00 0.00 178.31 175.90 1zll h ILE 33 N -0.87 0.02 -1.00 1.41 2.04 -1.12 0.82 117.51 118.80 1zll h ILE 33 Ca -0.08 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.89 1zll h ILE 33 Cb 0.63 0.02 -0.08 0.00 -0.74 0.00 0.00 36.82 36.64 1zll h ILE 33 CO 0.14 0.00 0.63 0.78 0.00 0.00 0.00 178.15 179.70 1zll h ASN 34 N -0.12 0.94 -0.51 1.72 2.35 -1.47 0.22 115.58 118.71 1zll h ASN 34 Ca 0.18 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.94 1zll h ASN 34 Cb 0.50 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 1zll h ASN 34 CO -0.84 0.52 0.24 0.15 -1.65 0.00 0.00 177.43 175.86 1zll h PHE 35 N 1.02 0.78 0.14 1.19 3.57 0.25 -2.69 116.94 121.20 1zll h PHE 35 Ca 0.49 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.95 1zll h PHE 35 Cb 0.43 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1zll h PHE 35 CO -0.00 0.59 -0.06 0.00 -2.23 0.00 0.00 178.31 176.60 1zll h LEU 37 N -0.31 -0.55 -0.99 0.00 3.38 -1.03 0.27 115.31 116.08 1zll h LEU 37 Ca -0.02 0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1zll h LEU 37 Cb 0.25 0.32 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1zll h LEU 37 CO 0.03 -0.19 0.04 0.40 0.09 0.00 0.00 178.44 178.81 1zll h ILE 38 N -0.07 1.23 0.09 1.22 2.04 -1.32 -2.00 117.51 118.70 1zll h ILE 38 Ca 0.20 -0.92 -0.00 0.00 1.00 0.00 0.00 64.86 65.14 1zll h ILE 38 Cb 0.38 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1zll h ILE 38 CO -0.47 0.33 -0.04 0.25 0.00 0.00 0.00 178.15 178.22 1zll h LEU 39 N 0.74 -0.10 -1.58 1.44 5.85 0.14 -2.17 115.31 119.63 1zll h LEU 39 Ca 0.15 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1zll h LEU 39 Cb 0.39 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1zll h LEU 39 CO 0.01 0.10 0.33 0.40 -0.34 0.00 0.00 178.44 178.94 1zll h ILE 40 N -0.30 1.04 0.16 4.05 2.04 -0.46 -1.63 117.51 122.41 1zll h ILE 40 Ca -0.01 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1zll h ILE 40 Cb 0.25 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1zll h ILE 40 CO 0.02 0.10 -0.08 0.00 0.00 0.00 0.00 178.15 178.19 1zll h LEU 42 N -0.27 0.00 0.23 0.00 4.07 -1.34 -1.51 115.31 116.50 1zll h LEU 42 Ca -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 1zll h LEU 42 Cb 0.17 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.91 1zll h LEU 42 CO 0.04 0.00 -0.11 -0.07 -1.08 0.00 0.00 178.44 177.22 1zll h LEU 43 N 0.00 -0.26 -0.98 1.67 3.38 -0.96 -2.31 115.31 115.85 1zll h LEU 43 Ca 0.49 0.01 0.31 0.00 0.09 0.00 0.00 57.88 58.78 1zll h LEU 43 Cb 2.34 0.07 -0.15 0.00 0.09 0.00 0.00 40.66 43.01 1zll h LEU 43 CO -0.01 -0.09 0.50 -0.07 0.09 0.00 0.00 178.44 178.86 1zll h LEU 44 N -0.51 0.39 -0.44 1.67 3.38 -0.49 0.52 115.31 119.83 1zll h LEU 44 Ca -0.03 0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1zll h LEU 44 Cb 0.24 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1zll h LEU 44 CO 0.05 -0.16 0.26 0.40 0.09 0.00 0.00 178.44 179.08 1zll h ILE 45 N 0.28 1.15 0.38 1.22 2.04 -1.40 -1.73 117.51 119.46 1zll h ILE 45 Ca 0.70 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 66.20 1zll h ILE 45 Cb 1.59 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 1zll h ILE 45 CO -0.63 0.15 -0.51 0.00 0.00 0.00 0.00 178.15 177.16 1zll h ILE 47 N -0.92 0.29 0.17 0.00 2.04 -1.26 -0.48 117.51 117.34 1zll h ILE 47 Ca -0.05 -0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.82 1zll h ILE 47 Cb 0.83 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1zll h ILE 47 CO -0.13 0.00 -0.22 0.40 0.00 0.00 0.00 178.15 178.20 1zll h ILE 48 N 0.01 0.51 -0.56 -0.67 2.04 -0.68 -0.53 117.51 117.63 1zll h ILE 48 Ca 0.35 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.37 1zll h ILE 48 Cb 0.55 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 1zll h ILE 48 CO -0.73 0.00 0.60 0.58 0.00 0.00 0.00 178.15 178.60 1zll h VAL 49 N -0.45 0.31 0.10 1.67 2.07 0.53 0.18 116.25 120.65 1zll h VAL 49 Ca 0.01 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.26 1zll h VAL 49 Cb 0.45 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1zll h VAL 49 CO -0.09 0.00 -1.33 0.24 0.02 0.00 0.00 177.57 176.41 1zll h MET 50 N 0.00 0.21 0.00 1.57 2.86 -0.37 -3.28 114.93 115.93 1zll h MET 50 Ca 0.26 -0.36 -0.10 0.00 -2.06 0.00 0.00 59.70 57.44 1zll h MET 50 Cb 1.45 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 33.23 1zll h MET 50 CO -0.00 1.12 -0.49 -0.07 1.06 0.00 0.00 176.91 178.52 1zll h LEU 51 N 0.06 0.00 0.00 1.22 3.38 -0.08 -3.52 115.31 116.37 1zll h LEU 51 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1zll h LEU 51 Cb 1.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.71 1zll h LEU 51 CO 0.17 0.49 0.00 0.18 0.09 0.00 0.00 178.44 179.37