#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 0.06 2.12 2.13 -1.26 -4.35 120.64 119.34 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 -1.24 -0.06 0.00 0.27 0.00 0.00 31.44 30.40 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 0.51 0.04 5.31 1.79 -2.05 -2.71 116.57 119.46 1zll h LYS 3 Ca 0.00 -0.54 -0.00 0.00 -2.18 0.00 0.00 60.65 57.93 1zll h LYS 3 Cb 0.00 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1zll h LYS 3 CO 0.00 1.18 -0.02 0.28 -1.08 0.00 0.00 179.45 179.80 1zll h VAL 4 N 0.29 1.04 -0.59 0.50 2.07 -2.00 -2.73 116.25 114.82 1zll h VAL 4 Ca -0.09 -1.62 0.17 0.00 0.82 0.00 0.00 66.70 65.98 1zll h VAL 4 Cb 1.61 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 33.26 1zll h VAL 4 CO 0.18 0.33 0.57 -0.61 0.02 0.00 0.00 177.57 178.05 1zll h GLN 5 N -0.95 0.00 0.08 1.57 4.15 -1.91 0.54 115.11 118.59 1zll h GLN 5 Ca -0.01 0.00 -0.25 0.00 0.77 0.00 0.00 58.65 59.16 1zll h GLN 5 Cb 0.59 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.28 1zll h GLN 5 CO 0.01 0.00 -1.12 -0.92 -1.93 0.00 0.00 178.83 174.87 1zll h TYR 6 N 0.00 0.45 0.06 3.99 3.20 -1.48 -2.48 116.97 120.71 1zll h TYR 6 Ca 0.28 -0.30 -0.13 0.00 3.14 0.00 0.00 58.73 61.72 1zll h TYR 6 Cb 1.42 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.66 1zll h TYR 6 CO 0.00 1.19 -0.65 -0.07 -1.64 0.00 0.00 178.16 176.99 1zll h LEU 7 N 0.10 0.19 -1.09 2.82 3.38 0.25 -2.26 115.31 118.71 1zll h LEU 7 Ca -0.10 -0.89 -0.03 0.00 0.09 0.00 0.00 57.88 56.95 1zll h LEU 7 Cb 1.82 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 42.47 1zll h LEU 7 CO 0.18 1.29 0.29 0.74 0.09 0.00 0.00 178.44 181.03 1zll h THR 8 N -0.71 1.22 -0.01 0.22 2.02 -0.83 -1.86 112.91 112.95 1zll h THR 8 Ca -0.14 -0.64 -0.14 0.00 0.77 0.00 0.00 66.41 66.25 1zll h THR 8 Cb 1.35 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1zll h THR 8 CO 0.02 0.26 -0.65 0.03 0.37 0.00 0.00 175.52 175.56 1zll h ARG 9 N 0.93 0.05 -0.09 6.66 2.47 -1.52 -2.45 114.38 120.43 1zll h ARG 9 Ca 0.23 -0.04 -0.08 0.00 -1.26 0.00 0.00 59.98 58.82 1zll h ARG 9 Cb 0.13 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 1zll h ARG 9 CO -0.03 0.68 -0.31 1.03 0.56 0.00 0.00 179.97 181.90 1zll h SER 10 N 0.04 0.17 0.10 7.04 0.87 -0.72 -2.40 113.55 118.64 1zll h SER 10 Ca -0.01 -0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1zll h SER 10 Cb 1.15 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1zll h SER 10 CO 0.09 0.48 -0.05 0.00 -0.53 0.00 0.00 176.83 176.82 1zll h ALA 11 N 1.53 -0.17 -0.45 6.23 0.00 -1.15 -2.44 119.26 122.82 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 0.63 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1zll h ALA 11 CO 0.05 -0.16 0.72 0.82 0.00 0.00 0.00 179.25 180.68 1zll h ILE 12 N -0.79 0.14 0.21 0.00 2.04 -1.52 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 0.10 0.38 0.02 0.00 -0.74 0.00 0.00 36.82 36.59 1zll h ILE 12 CO 0.02 0.00 -1.53 -0.09 0.00 0.00 0.00 178.15 176.56 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 0.21 -0.76 0.00 0.00 -1.10 0.00 0.00 59.98 58.33 1zll h ARG 13 Cb 1.65 0.28 0.00 0.00 -1.39 0.00 0.00 29.97 30.51 1zll h ARG 13 CO -0.00 1.36 -0.15 2.89 2.80 0.00 0.00 179.97 186.87 1zll n ARG 14 N -3.64 1.55 -0.16 0.20 -4.01 0.19 -3.93 116.66 106.86 1zll n ARG 14 Ca -0.18 -1.09 0.06 0.00 -1.04 0.00 0.00 57.85 55.61 1zll n ARG 14 Cb 1.08 -1.48 0.15 0.00 -3.04 0.00 0.00 32.46 29.18 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 0.23 2.27 1.20 2.89 0.00 0.27 -4.43 120.51 122.94 1zll n ALA 15 Ca 0.14 -1.04 0.08 0.00 0.00 0.00 0.00 53.44 52.62 1zll n ALA 15 Cb 0.43 -0.49 0.46 0.00 0.00 0.00 0.00 19.45 19.85 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 0.69 0.00 -1.59 0.00 7.64 -1.20 -2.21 113.62 116.96 1zll n SER 16 Ca 0.12 -0.72 -0.13 0.00 1.01 0.00 0.00 58.87 59.16 1zll n SER 16 Cb 0.42 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.81 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 -0.90 2.81 -4.15 0.44 -2.24 -1.26 -4.97 114.28 104.00 1zll n THR 17 Ca 0.12 -2.57 -0.10 0.00 -2.27 0.00 0.00 64.05 59.23 1zll n THR 17 Cb 0.05 -0.43 -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 0.15 -0.45 2.28 1.01 -0.94 -5.12 121.20 114.74 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 0.18 0.00 0.01 0.00 0.00 42.46 41.07 1zll s ILE 18 CO 0.03 -0.50 0.50 -1.61 0.00 0.00 0.00 174.94 173.36 1zll s GLU 19 N -4.03 0.93 -0.04 2.79 2.02 -1.26 -5.10 118.70 114.00 1zll s GLU 19 Ca 0.23 -1.50 -0.15 0.00 0.02 0.00 0.00 54.97 53.57 1zll s GLU 19 Cb 0.07 -0.76 0.03 0.00 0.10 0.00 0.00 34.13 33.57 1zll s GLU 19 CO 0.01 -1.34 0.34 -1.64 0.02 0.00 0.00 175.26 172.65 1zll s MET 20 N 0.60 0.63 0.00 1.61 -1.94 -1.26 -5.02 119.30 113.92 1zll s MET 20 Ca 0.29 -0.02 0.00 0.00 -1.71 0.00 0.00 55.69 54.26 1zll s MET 20 Cb -0.01 0.28 0.00 0.00 2.01 0.00 0.00 34.83 37.12 1zll s MET 20 CO -0.11 -0.16 0.89 -0.35 -0.01 0.00 0.00 175.02 175.28 1zll n PRO 21 N 1.62 0.61 0.00 2.03 -0.04 -1.26 -4.84 135.00 133.12 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 32.83 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 1.17 0.00 -0.27 0.54 1.13 -1.26 -3.91 117.38 114.78 1zll n GLN 22 Ca 0.00 0.00 0.26 0.00 -1.94 0.00 0.00 57.00 55.32 1zll n GLN 22 Cb 0.30 0.00 0.47 0.00 0.11 0.00 0.00 30.24 31.12 1zll n GLN 22 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1zll n GLN 23 N 0.00 -0.04 -0.01 -1.09 1.13 -1.26 0.21 117.38 116.32 1zll n GLN 23 Ca 0.00 1.04 -0.10 0.00 -1.94 0.00 0.00 57.00 56.00 1zll n GLN 23 Cb 0.00 -1.91 0.05 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 1.47 0.68 0.42 -1.58 0.00 -1.93 -1.42 119.26 116.90 1zll h ALA 24 Ca 0.66 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1zll h ALA 24 Cb 1.84 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 1zll h ALA 24 CO -0.54 0.69 -0.41 -0.09 0.00 0.00 0.00 179.25 178.89 1zll h ARG 25 N 0.46 -0.82 0.59 0.00 1.12 0.22 0.24 114.38 116.18 1zll h ARG 25 Ca 0.01 0.06 -0.03 0.00 -1.11 0.00 0.00 59.98 58.91 1zll h ARG 25 Cb 1.09 0.19 0.01 0.00 -0.01 0.00 0.00 29.97 31.24 1zll h ARG 25 CO 0.10 -0.55 -0.28 0.37 -3.11 0.00 0.00 179.97 176.51 1zll h GLN 26 N -0.85 -0.76 -0.94 0.20 4.15 -1.51 -2.47 115.11 112.93 1zll h GLN 26 Ca -0.04 0.05 0.15 0.00 0.77 0.00 0.00 58.65 59.59 1zll h GLN 26 Cb 0.75 0.17 -0.08 0.00 0.21 0.00 0.00 27.48 28.53 1zll h GLN 26 CO -0.06 -0.47 0.60 0.87 -1.93 0.00 0.00 178.83 177.84 1zll h LYS 27 N -0.91 0.73 -0.00 1.69 1.79 -1.23 -2.66 116.57 115.98 1zll h LYS 27 Ca -0.08 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1zll h LYS 27 Cb 0.65 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1zll h LYS 27 CO 0.13 0.49 -0.00 -0.07 -1.08 0.00 0.00 179.45 178.92 1zll h LEU 28 N 0.76 0.01 -0.20 2.94 3.38 -0.40 0.11 115.31 121.91 1zll h LEU 28 Ca 0.49 -0.41 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1zll h LEU 28 Cb 0.74 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 1zll h LEU 28 CO -0.25 0.41 -0.07 1.56 0.09 0.00 0.00 178.44 180.18 1zll h GLN 29 N -0.40 -0.02 0.42 1.13 1.08 -1.10 0.67 115.11 116.89 1zll h GLN 29 Ca 0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1zll h GLN 29 Cb 0.41 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 1zll h GLN 29 CO 0.00 -0.01 -0.20 -0.91 -0.95 0.00 0.00 178.83 176.75 1zll h ASN 30 N -0.02 -0.48 -0.93 1.46 -0.26 -1.55 -2.61 115.58 111.18 1zll h ASN 30 Ca 0.10 -0.05 0.18 0.00 -0.56 0.00 0.00 56.30 55.98 1zll h ASN 30 Cb 0.18 0.12 -0.08 0.00 -1.06 0.00 0.00 38.32 37.48 1zll h ASN 30 CO -0.22 -0.05 0.60 -0.07 -1.06 0.00 0.00 177.43 176.63 1zll h LEU 31 N -1.10 0.59 0.75 1.61 -0.00 -0.75 -2.47 115.31 113.95 1zll h LEU 31 Ca -0.06 0.06 -0.04 0.00 -0.00 0.00 0.00 57.88 57.84 1zll h LEU 31 Cb 0.50 -0.05 0.01 0.00 -0.00 0.00 0.00 40.66 41.11 1zll h LEU 31 CO 0.09 0.25 -0.36 0.15 -0.00 0.00 0.00 178.44 178.58 1zll h PHE 32 N 0.60 -0.93 -0.61 1.13 3.57 0.35 0.07 116.94 121.13 1zll h PHE 32 Ca 0.50 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 62.06 1zll h PHE 32 Cb 0.96 0.31 -0.11 0.00 2.79 0.00 0.00 35.95 39.90 1zll h PHE 32 CO -0.00 -0.58 -0.44 0.82 -2.23 0.00 0.00 178.31 175.88 1zll h ILE 33 N -1.09 0.08 -0.93 1.41 2.04 -1.05 0.76 117.51 118.74 1zll h ILE 33 Ca -0.10 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.84 1zll h ILE 33 Cb 0.77 0.08 -0.07 0.00 -0.74 0.00 0.00 36.82 36.86 1zll h ILE 33 CO 0.17 0.00 0.60 -0.55 0.00 0.00 0.00 178.15 178.37 1zll h ASN 34 N -0.21 0.90 -0.35 1.72 -1.07 -1.46 0.21 115.58 115.31 1zll h ASN 34 Ca 0.18 0.02 -0.04 0.00 0.07 0.00 0.00 56.30 56.53 1zll h ASN 34 Cb 0.56 -0.17 -0.02 0.00 -2.07 0.00 0.00 38.32 36.62 1zll h ASN 34 CO -0.71 0.54 0.09 0.15 0.07 0.00 0.00 177.43 177.58 1zll h PHE 35 N 1.00 0.65 0.11 4.14 3.04 0.23 -2.71 116.94 123.41 1zll h PHE 35 Ca 0.42 -0.05 -0.01 0.00 3.98 0.00 0.00 57.97 62.32 1zll h PHE 35 Cb 0.32 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.63 1zll h PHE 35 CO -0.00 0.57 -0.05 0.00 -2.02 0.00 0.00 178.31 176.80 1zll h LEU 37 N -0.33 -0.61 -1.03 0.00 3.38 -1.05 0.27 115.31 115.94 1zll h LEU 37 Ca -0.02 0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1zll h LEU 37 Cb 0.27 0.34 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1zll h LEU 37 CO 0.03 -0.21 0.11 0.40 0.09 0.00 0.00 178.44 178.85 1zll h ILE 38 N -0.11 1.22 0.06 1.22 2.04 -1.34 -1.98 117.51 118.63 1zll h ILE 38 Ca 0.19 -0.83 -0.00 0.00 1.00 0.00 0.00 64.86 65.22 1zll h ILE 38 Cb 0.40 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1zll h ILE 38 CO -0.46 0.31 -0.03 0.25 0.00 0.00 0.00 178.15 178.22 1zll h LEU 39 N 0.77 -0.07 -1.61 1.44 5.85 0.14 -2.16 115.31 119.68 1zll h LEU 39 Ca 0.17 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1zll h LEU 39 Cb 0.31 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1zll h LEU 39 CO 0.00 0.13 0.30 0.40 -0.34 0.00 0.00 178.44 178.93 1zll h ILE 40 N -0.27 1.06 0.21 4.05 2.04 -0.45 -1.61 117.51 122.54 1zll h ILE 40 Ca -0.01 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1zll h ILE 40 Cb 0.24 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1zll h ILE 40 CO 0.01 0.10 -0.10 0.00 0.00 0.00 0.00 178.15 178.16 1zll h LEU 42 N -0.35 0.00 0.27 0.00 4.07 -1.33 -1.48 115.31 116.48 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 -0.13 -0.07 -1.08 0.00 0.00 178.44 177.21 1zll h LEU 43 N 0.00 -0.31 -1.00 1.67 3.38 -0.97 -2.29 115.31 115.80 1zll h LEU 43 Ca 0.47 0.01 0.30 0.00 0.09 0.00 0.00 57.88 58.76 1zll h LEU 43 Cb 2.23 0.08 -0.14 0.00 0.09 0.00 0.00 40.66 42.92 1zll h LEU 43 CO -0.00 -0.13 0.56 -0.07 0.09 0.00 0.00 178.44 178.89 1zll h LEU 44 N -0.56 0.52 -0.47 1.67 3.38 -0.48 0.50 115.31 119.88 1zll h LEU 44 Ca -0.04 0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1zll h LEU 44 Cb 0.28 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1zll h LEU 44 CO 0.06 -0.09 0.25 0.40 0.09 0.00 0.00 178.44 179.15 1zll h ILE 45 N 0.37 1.17 0.42 1.22 2.04 -1.39 -1.74 117.51 119.60 1zll h ILE 45 Ca 0.71 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 66.10 1zll h ILE 45 Cb 1.55 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 1zll h ILE 45 CO -0.58 0.19 -0.50 0.00 0.00 0.00 0.00 178.15 177.25 1zll h ILE 47 N -0.95 0.33 0.18 0.00 2.04 -1.26 -0.55 117.51 117.31 1zll h ILE 47 Ca -0.05 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.81 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 -0.11 0.01 -0.21 0.40 0.00 0.00 0.00 178.15 178.23 1zll h ILE 48 N 0.03 0.53 -0.61 -0.67 2.04 -0.69 -0.63 117.51 117.52 1zll h ILE 48 Ca 0.35 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.39 1zll h ILE 48 Cb 0.57 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1zll h ILE 48 CO -0.69 0.00 0.60 0.58 0.00 0.00 0.00 178.15 178.65 1zll h VAL 49 N -0.44 0.34 0.10 1.67 2.07 0.48 0.18 116.25 120.66 1zll h VAL 49 Ca 0.01 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.26 1zll h VAL 49 Cb 0.43 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1zll h VAL 49 CO -0.07 0.00 -1.26 0.24 0.02 0.00 0.00 177.57 176.50 1zll h MET 50 N 0.00 0.21 -0.11 1.57 2.86 -0.37 -3.29 114.93 115.81 1zll h MET 50 Ca 0.29 -0.36 -0.14 0.00 -2.06 0.00 0.00 59.70 57.42 1zll h MET 50 Cb 1.49 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 33.28 1zll h MET 50 CO -0.00 1.14 -0.55 -0.07 1.06 0.00 0.00 176.91 178.49 1zll h LEU 51 N 0.06 0.36 0.00 1.22 3.38 -0.07 -3.52 115.31 116.74 1zll h LEU 51 Ca -0.14 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1zll h LEU 51 Cb 1.95 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.59 1zll h LEU 51 CO 0.18 0.84 0.00 0.18 0.09 0.00 0.00 178.44 179.73