#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 2.13 -1.26 -4.37 120.64 119.34 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 -1.29 -0.09 0.00 0.27 0.00 0.00 31.44 30.33 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 0.41 0.03 5.31 6.56 -2.05 -2.75 116.57 124.08 1zll h LYS 3 Ca 0.00 -0.53 -0.00 0.00 -1.06 0.00 0.00 60.65 59.06 1zll h LYS 3 Cb 0.00 0.17 0.00 0.00 -0.57 0.00 0.00 32.23 31.83 1zll h LYS 3 CO 0.00 1.19 -0.01 0.28 -2.06 0.00 0.00 179.45 178.85 1zll h VAL 4 N 0.19 1.00 -0.66 0.50 2.07 -2.00 -2.75 116.25 114.60 1zll h VAL 4 Ca -0.12 -1.66 0.19 0.00 0.82 0.00 0.00 66.70 65.93 1zll h VAL 4 Cb 1.77 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 33.37 1zll h VAL 4 CO 0.19 0.33 0.62 1.56 0.02 0.00 0.00 177.57 180.29 1zll h GLN 5 N -0.97 0.00 0.07 1.57 4.20 -1.91 0.57 115.11 118.64 1zll h GLN 5 Ca -0.00 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.46 1zll h GLN 5 Cb 0.57 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.34 1zll h GLN 5 CO 0.01 0.00 -1.11 -0.92 -0.67 0.00 0.00 178.83 176.14 1zll h TYR 6 N 0.00 0.45 0.06 2.96 3.20 -1.49 -2.49 116.97 119.66 1zll h TYR 6 Ca 0.31 -0.30 -0.14 0.00 3.14 0.00 0.00 58.73 61.75 1zll h TYR 6 Cb 1.55 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.79 1zll h TYR 6 CO 0.00 1.19 -0.70 -0.07 -1.64 0.00 0.00 178.16 176.94 1zll h LEU 7 N 0.10 0.21 -1.11 2.82 3.38 0.29 -2.29 115.31 118.72 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 1.81 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.46 1zll h LEU 7 CO 0.18 1.31 0.23 0.74 0.09 0.00 0.00 178.44 180.98 1zll h THR 8 N -0.68 1.21 -0.00 0.22 2.02 -0.84 -1.85 112.91 113.00 1zll h THR 8 Ca -0.15 -0.67 -0.14 0.00 0.77 0.00 0.00 66.41 66.21 1zll h THR 8 Cb 1.38 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 1zll h THR 8 CO 0.02 0.27 -0.68 0.08 0.37 0.00 0.00 175.52 175.58 1zll h ARG 9 N 0.85 0.00 -0.08 6.66 0.11 -1.52 -2.47 114.38 117.93 1zll h ARG 9 Ca 0.20 -0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.19 1zll h ARG 9 Cb 0.18 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.24 1zll h ARG 9 CO -0.02 0.68 -0.36 1.03 0.10 0.00 0.00 179.97 181.40 1zll h SER 10 N 0.00 0.17 0.11 0.08 0.87 -0.74 -2.44 113.55 111.60 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 1.20 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1zll h SER 10 CO 0.09 0.52 -0.05 0.00 -0.53 0.00 0.00 176.83 176.86 1zll h ALA 11 N 1.49 -0.18 -0.43 6.23 0.00 -1.17 -2.41 119.26 122.80 1zll h ALA 11 Ca 0.02 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.02 1zll h ALA 11 Cb 0.71 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1zll h ALA 11 CO 0.05 -0.17 0.73 0.82 0.00 0.00 0.00 179.25 180.68 1zll h ILE 12 N -0.78 0.12 0.22 0.00 2.04 -1.53 0.97 117.51 118.56 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 0.37 0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1zll h ILE 12 CO 0.02 0.00 -1.58 -0.09 0.00 0.00 0.00 178.15 176.51 1zll h ARG 13 N 0.00 0.46 -0.02 2.37 9.65 -1.45 -3.19 114.38 122.21 1zll h ARG 13 Ca 0.20 -0.79 0.00 0.00 -1.10 0.00 0.00 59.98 58.30 1zll h ARG 13 Cb 1.66 0.29 0.00 0.00 -1.39 0.00 0.00 29.97 30.53 1zll h ARG 13 CO -0.00 1.37 -0.16 2.89 2.80 0.00 0.00 179.97 186.86 1zll n ARG 14 N -3.65 1.42 -0.18 0.20 1.85 0.18 -3.92 116.66 112.57 1zll n ARG 14 Ca -0.19 -0.97 0.07 0.00 -1.00 0.00 0.00 57.85 55.76 1zll n ARG 14 Cb 1.09 -1.48 0.17 0.00 -1.05 0.00 0.00 32.46 31.19 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 0.06 2.25 1.30 2.89 0.00 0.28 -4.43 120.51 122.87 1zll n ALA 15 Ca 0.14 -1.09 0.08 0.00 0.00 0.00 0.00 53.44 52.58 1zll n ALA 15 Cb 0.41 -0.52 0.49 0.00 0.00 0.00 0.00 19.45 19.84 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 0.74 0.00 -1.61 0.00 7.64 -1.20 -2.25 113.62 116.93 1zll n SER 16 Ca 0.13 -0.78 -0.13 0.00 1.01 0.00 0.00 58.87 59.10 1zll n SER 16 Cb 0.45 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 -0.90 2.83 -4.14 0.44 -2.24 -1.26 -4.97 114.28 104.03 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 -0.45 -0.10 0.00 -2.10 0.00 0.00 70.33 67.73 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 -3.43 0.12 -0.45 2.28 1.01 -0.96 -5.12 121.20 114.66 1zll s ILE 18 Ca 0.50 -1.90 0.05 0.00 0.00 0.00 0.00 60.65 59.30 1zll s ILE 18 Cb 0.44 -1.98 0.18 0.00 0.01 0.00 0.00 42.46 41.10 1zll s ILE 18 CO 0.03 -0.53 0.50 -1.61 0.00 0.00 0.00 174.94 173.33 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 0.22 -1.50 -0.15 0.00 0.02 0.00 0.00 54.97 53.56 1zll s GLU 19 Cb 0.08 -0.77 0.03 0.00 0.10 0.00 0.00 34.13 33.56 1zll s GLU 19 CO 0.00 -1.33 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 -5.02 119.30 113.93 1zll s MET 20 Ca 0.29 -0.02 0.00 0.00 -1.71 0.00 0.00 55.69 54.25 1zll s MET 20 Cb -0.01 0.29 0.00 0.00 2.01 0.00 0.00 34.83 37.12 1zll s MET 20 CO -0.11 -0.16 0.87 -0.35 -0.01 0.00 0.00 175.02 175.26 1zll n PRO 21 N 1.60 0.62 0.00 2.03 -0.04 -1.26 -4.84 135.00 133.11 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 1.10 0.00 -0.24 0.54 -0.06 -1.26 -3.92 117.38 113.55 1zll n GLN 22 Ca 0.00 0.00 0.24 0.00 -2.00 0.00 0.00 57.00 55.24 1zll n GLN 22 Cb 0.31 0.00 0.44 0.00 -4.06 0.00 0.00 30.24 26.93 1zll n GLN 22 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1zll n GLN 23 N 0.00 -0.04 -0.02 3.69 6.02 -1.26 0.22 117.38 125.98 1zll n GLN 23 Ca 0.00 1.03 -0.09 0.00 -0.01 0.00 0.00 57.00 57.93 1zll n GLN 23 Cb 0.00 -1.86 0.07 0.00 1.02 0.00 0.00 30.24 29.47 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 0.76 0.39 -1.58 0.00 -1.93 -1.37 119.26 117.02 1zll h ALA 24 Ca 0.64 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1zll h ALA 24 Cb 1.69 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 1zll h ALA 24 CO -0.57 0.66 -0.38 -0.09 0.00 0.00 0.00 179.25 178.87 1zll h ARG 25 N 0.50 -0.76 0.51 0.00 2.43 0.23 0.23 114.38 117.53 1zll h ARG 25 Ca 0.03 0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 1zll h ARG 25 Cb 0.98 0.17 0.01 0.00 -0.42 0.00 0.00 29.97 30.71 1zll h ARG 25 CO 0.09 -0.51 -0.25 0.37 -1.51 0.00 0.00 179.97 178.16 1zll h GLN 26 N -0.79 -0.67 -0.93 0.20 -0.00 -1.50 -2.49 115.11 108.94 1zll h GLN 26 Ca -0.03 0.05 0.14 0.00 -0.00 0.00 0.00 58.65 58.81 1zll h GLN 26 Cb 0.70 0.15 -0.08 0.00 0.00 0.00 0.00 27.48 28.26 1zll h GLN 26 CO -0.05 -0.38 0.59 0.87 0.00 0.00 0.00 178.83 179.86 1zll h LYS 27 N -0.86 0.74 0.01 1.69 1.57 -1.22 -2.68 116.57 115.82 1zll h LYS 27 Ca -0.07 -0.04 -0.00 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 32.74 1zll h LYS 27 CO 0.12 0.49 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.41 1zll h LEU 28 N 0.77 -0.01 -0.26 2.94 3.38 -0.41 0.13 115.31 121.85 1zll h LEU 28 Ca 0.47 -0.41 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1zll h LEU 28 Cb 0.69 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.40 1zll h LEU 28 CO -0.24 0.40 -0.05 1.56 0.09 0.00 0.00 178.44 180.21 1zll h GLN 29 N -0.43 0.02 0.30 1.13 4.20 -1.12 0.68 115.11 119.89 1zll h GLN 29 Ca -0.00 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1zll h GLN 29 Cb 0.42 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1zll h GLN 29 CO 0.00 0.01 -0.14 -0.91 -0.67 0.00 0.00 178.83 177.12 1zll h ASN 30 N 0.02 -0.34 -0.80 1.46 4.21 -1.55 -2.63 115.58 115.95 1zll h ASN 30 Ca 0.13 -0.16 0.12 0.00 1.21 0.00 0.00 56.30 57.59 1zll h ASN 30 Cb 0.18 0.09 -0.06 0.00 -1.12 0.00 0.00 38.32 37.42 1zll h ASN 30 CO -0.25 0.13 0.52 -0.07 -1.29 0.00 0.00 177.43 176.47 1zll h LEU 31 N -0.98 0.58 0.64 1.61 4.07 -0.69 -2.61 115.31 117.93 1zll h LEU 31 Ca -0.04 0.02 -0.03 0.00 0.08 0.00 0.00 57.88 57.91 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 0.32 -0.31 0.15 -1.08 0.00 0.00 178.44 177.59 1zll h PHE 32 N 0.63 -0.79 -0.76 1.13 3.57 0.38 0.06 116.94 121.16 1zll h PHE 32 Ca 0.38 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.96 1zll h PHE 32 Cb 0.62 0.26 -0.12 0.00 2.79 0.00 0.00 35.95 39.50 1zll h PHE 32 CO -0.00 -0.49 -0.49 0.82 -2.23 0.00 0.00 178.31 175.92 1zll h ILE 33 N -0.93 0.03 -0.97 1.41 1.08 -1.12 0.82 117.51 117.83 1zll h ILE 33 Ca -0.09 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.48 1zll h ILE 33 Cb 0.65 0.03 -0.07 0.00 -3.07 0.00 0.00 36.82 34.36 1zll h ILE 33 CO 0.14 0.00 0.62 0.78 -0.69 0.00 0.00 178.15 179.01 1zll h ASN 34 N -0.14 0.93 -0.42 1.72 2.35 -1.47 0.21 115.58 118.76 1zll h ASN 34 Ca 0.19 0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 1zll h ASN 34 Cb 0.53 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 1zll h ASN 34 CO -0.81 0.55 0.16 0.15 -1.65 0.00 0.00 177.43 175.82 1zll h PHE 35 N 1.03 0.71 0.09 1.19 3.57 0.24 -2.70 116.94 121.08 1zll h PHE 35 Ca 0.45 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.90 1zll h PHE 35 Cb 0.36 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.88 1zll h PHE 35 CO -0.00 0.58 -0.05 0.00 -2.23 0.00 0.00 178.31 176.61 1zll h LEU 37 N -0.28 -0.62 -1.09 0.00 3.38 -1.03 0.26 115.31 115.94 1zll h LEU 37 Ca -0.01 0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1zll h LEU 37 Cb 0.23 0.33 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1zll h LEU 37 CO 0.02 -0.22 0.19 0.40 0.09 0.00 0.00 178.44 178.92 1zll h ILE 38 N -0.13 1.22 0.05 1.22 2.04 -1.34 -1.99 117.51 118.57 1zll h ILE 38 Ca 0.17 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 1zll h ILE 38 Cb 0.40 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1zll h ILE 38 CO -0.42 0.28 -0.02 0.25 0.00 0.00 0.00 178.15 178.23 1zll h LEU 39 N 0.82 -0.06 -1.68 1.44 5.85 0.14 -2.17 115.31 119.66 1zll h LEU 39 Ca 0.19 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1zll h LEU 39 Cb 0.22 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1zll h LEU 39 CO -0.01 0.15 0.24 0.40 -0.34 0.00 0.00 178.44 178.87 1zll h ILE 40 N -0.26 1.06 0.19 4.05 2.04 -0.44 -1.64 117.51 122.52 1zll h ILE 40 Ca -0.01 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 1zll h ILE 40 Cb 0.23 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1zll h ILE 40 CO 0.01 0.08 -0.09 0.00 0.00 0.00 0.00 178.15 178.15 1zll h LEU 42 N -0.34 0.00 0.28 0.00 4.07 -1.34 -1.44 115.31 116.54 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 0.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.94 1zll h LEU 42 CO 0.04 0.00 -0.13 -0.07 -1.08 0.00 0.00 178.44 177.20 1zll h LEU 43 N 0.00 -0.31 -1.01 1.67 3.38 -0.99 -2.31 115.31 115.73 1zll h LEU 43 Ca 0.48 0.01 0.30 0.00 0.09 0.00 0.00 57.88 58.77 1zll h LEU 43 Cb 2.30 0.08 -0.14 0.00 0.09 0.00 0.00 40.66 42.98 1zll h LEU 43 CO -0.01 -0.12 0.58 -0.07 0.09 0.00 0.00 178.44 178.92 1zll h LEU 44 N -0.58 0.56 -0.52 1.67 3.38 -0.49 0.52 115.31 119.86 1zll h LEU 44 Ca -0.04 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1zll h LEU 44 Cb 0.28 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1zll h LEU 44 CO 0.06 -0.07 0.26 0.40 0.09 0.00 0.00 178.44 179.19 1zll h ILE 45 N 0.40 1.19 0.47 1.22 2.04 -1.39 -1.76 117.51 119.69 1zll h ILE 45 Ca 0.71 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 66.03 1zll h ILE 45 Cb 1.55 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 1zll h ILE 45 CO -0.56 0.21 -0.48 0.00 0.00 0.00 0.00 178.15 177.32 1zll h ILE 47 N -0.96 0.34 0.11 0.00 2.04 -1.25 -0.48 117.51 117.32 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 0.84 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 1zll h ILE 47 CO -0.07 0.00 -0.20 0.40 0.00 0.00 0.00 178.15 178.29 1zll h ILE 48 N 0.03 0.55 -0.52 -0.67 2.04 -0.73 -0.59 117.51 117.61 1zll h ILE 48 Ca 0.34 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.35 1zll h ILE 48 Cb 0.53 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1zll h ILE 48 CO -0.67 0.00 0.54 0.58 0.00 0.00 0.00 178.15 178.60 1zll h VAL 49 N -0.38 0.36 0.10 1.67 2.07 0.52 0.17 116.25 120.75 1zll h VAL 49 Ca 0.02 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.28 1zll h VAL 49 Cb 0.40 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1zll h VAL 49 CO -0.11 0.00 -1.26 0.24 0.02 0.00 0.00 177.57 176.46 1zll h MET 50 N 0.00 0.21 0.00 1.57 2.86 -0.36 -3.27 114.93 115.94 1zll h MET 50 Ca 0.25 -0.36 -0.11 0.00 -2.06 0.00 0.00 59.70 57.42 1zll h MET 50 Cb 1.33 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 33.11 1zll h MET 50 CO -0.00 1.14 -0.51 -0.07 1.06 0.00 0.00 176.91 178.53 1zll h LEU 51 N 0.06 0.00 0.00 1.22 3.38 -0.10 -3.52 115.31 116.35 1zll h LEU 51 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1zll h LEU 51 Cb 1.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.70 1zll h LEU 51 CO 0.18 0.51 0.00 0.18 0.09 0.00 0.00 178.44 179.40