#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2chb n PRO 2 N 0.00 0.48 -0.00 -2.82 -0.02 -1.26 -4.95 135.00 126.43 2chb n PRO 2 Ca 0.00 0.20 0.05 0.00 -2.02 0.00 0.00 63.50 61.74 2chb n PRO 2 Cb 0.00 -1.94 -0.08 0.00 -0.02 0.00 0.00 33.50 31.46 2chb n PRO 2 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2chb n GLN 3 N -0.89 1.04 -3.92 -0.52 -0.06 -1.26 -5.01 117.38 106.76 2chb n GLN 3 Ca 0.12 -0.08 -0.09 0.00 -2.00 0.00 0.00 57.00 54.95 2chb n GLN 3 Cb 0.49 -1.20 -0.02 0.00 -4.06 0.00 0.00 30.24 25.45 2chb n GLN 3 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2chb s ASN 4 N -2.97 0.06 0.21 1.69 4.22 -1.26 -5.06 114.94 111.83 2chb s ASN 4 Ca -0.02 -1.00 -0.10 0.00 -2.14 0.00 0.00 52.86 49.60 2chb s ASN 4 Cb 0.07 0.72 0.16 0.00 1.28 0.00 0.00 41.25 43.49 2chb s ASN 4 CO 0.45 -1.40 1.87 -0.29 -2.04 0.00 0.00 177.10 175.69 2chb h ILE 5 N 2.08 1.21 -0.42 0.54 2.10 -1.96 -2.45 117.51 118.61 2chb h ILE 5 Ca -0.26 -0.42 0.00 0.00 1.08 0.00 0.00 64.86 65.26 2chb h ILE 5 Cb 1.25 0.09 -0.02 0.00 -1.09 0.00 0.00 36.82 37.05 2chb h ILE 5 CO 0.34 0.21 0.28 0.74 -1.08 0.00 0.00 178.15 178.64 2chb h THR 6 N 1.06 1.11 -0.35 2.19 2.02 -1.98 0.20 112.91 117.15 2chb h THR 6 Ca 0.28 -0.19 -0.12 0.00 0.77 0.00 0.00 66.41 67.15 2chb h THR 6 Cb -0.08 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 2chb h THR 6 CO -0.06 0.10 -0.27 0.44 0.37 0.00 0.00 175.52 176.11 2chb h ASP 7 N 0.57 0.74 -0.35 4.18 3.32 -1.97 -0.42 116.42 122.48 2chb h ASP 7 Ca 0.15 -0.28 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 2chb h ASP 7 Cb -0.06 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 2chb h ASP 7 CO -0.03 0.97 0.13 0.25 -1.72 0.00 0.00 179.24 178.84 2chb h LEU 8 N 0.62 0.50 -0.88 1.55 6.46 -1.03 -2.81 115.31 119.73 2chb h LEU 8 Ca 0.08 -0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 2chb h LEU 8 Cb 0.78 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.53 2chb h LEU 8 CO 0.06 0.54 0.56 0.00 -0.62 0.00 0.00 178.44 178.98 2chb n ALA 10 N -2.36 1.21 1.37 0.00 0.00 -0.19 -1.60 120.51 118.94 2chb n ALA 10 Ca 0.09 0.12 0.14 0.00 0.00 0.00 0.00 53.44 53.80 2chb n ALA 10 Cb 0.03 -1.27 0.63 0.00 0.00 0.00 0.00 19.45 18.85 2chb n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2chb n GLU 11 N -2.07 0.56 -4.28 0.00 1.02 -0.78 -4.87 120.64 110.22 2chb n GLU 11 Ca -0.00 -0.15 -0.28 0.00 -0.02 0.00 0.00 57.16 56.70 2chb n GLU 11 Cb 0.08 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 29.90 2chb n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2chb s TYR 12 N -2.55 2.63 0.13 -0.32 1.51 -0.63 -5.10 117.35 113.03 2chb s TYR 12 Ca 0.27 -0.22 -0.29 0.00 -1.01 0.00 0.00 57.07 55.83 2chb s TYR 12 Cb 0.20 -1.34 -0.06 0.00 -0.11 0.00 0.00 41.96 40.65 2chb s TYR 12 CO 0.48 0.46 0.92 -1.01 -1.11 0.00 0.00 175.55 175.29 2chb s HIS 13 N -1.43 3.84 -1.05 2.71 3.76 -1.26 -3.96 115.29 117.89 2chb s HIS 13 Ca 0.22 1.77 0.00 0.00 -0.15 0.00 0.00 55.06 56.90 2chb s HIS 13 Cb -0.10 -2.99 0.00 0.00 1.11 0.00 0.00 32.58 30.60 2chb s HIS 13 CO 0.13 0.28 0.00 0.09 -0.85 0.00 0.00 174.74 174.40 2chb n ASN 14 N 2.47 -4.06 -4.99 1.40 3.02 -1.26 -4.96 115.26 106.88 2chb n ASN 14 Ca 0.00 0.19 -0.19 0.00 -0.03 0.00 0.00 54.58 54.56 2chb n ASN 14 Cb 0.49 -2.68 0.01 0.00 -0.61 0.00 0.00 39.78 36.98 2chb n ASN 14 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2chb s THR 15 N -2.42 3.65 -0.10 3.41 -4.23 -1.25 -0.42 115.64 114.28 2chb s THR 15 Ca 0.00 -0.91 -0.30 0.00 -1.18 0.00 0.00 61.69 59.31 2chb s THR 15 Cb 0.00 -3.27 0.08 0.00 1.34 0.00 0.00 72.50 70.65 2chb s THR 15 CO 0.00 -0.12 0.74 -1.58 -0.54 0.00 0.00 174.62 173.12 2chb s GLN 16 N -4.32 0.95 -0.12 3.99 0.74 0.15 -4.81 119.66 116.24 2chb s GLN 16 Ca 0.49 0.35 -0.03 0.00 0.05 0.00 0.00 55.36 56.22 2chb s GLN 16 Cb -0.10 0.45 -0.03 0.00 1.10 0.00 0.00 33.01 34.43 2chb s GLN 16 CO 0.33 -0.27 0.00 0.42 -0.55 0.00 0.00 175.29 175.22 2chb s ILE 17 N -0.92 4.28 -0.09 -2.34 -1.09 -1.26 0.19 121.20 119.97 2chb s ILE 17 Ca -0.08 -0.24 0.04 0.00 -2.23 0.00 0.00 60.65 58.14 2chb s ILE 17 Cb -0.01 -2.84 0.00 0.00 -1.58 0.00 0.00 42.46 38.03 2chb s ILE 17 CO 0.07 0.55 -0.22 -1.00 -1.23 0.00 0.00 174.94 173.12 2chb s HIS 18 N -0.34 2.31 -0.25 3.97 3.76 -0.78 -4.99 115.29 118.96 2chb s HIS 18 Ca 0.07 -0.90 -0.10 0.00 -0.15 0.00 0.00 55.06 53.98 2chb s HIS 18 Cb -0.12 -1.56 -0.04 0.00 1.11 0.00 0.00 32.58 31.96 2chb s HIS 18 CO 0.02 -0.36 0.14 0.99 -0.85 0.00 0.00 174.74 174.67 2chb s THR 19 N 0.34 5.01 -0.12 1.30 2.01 -1.26 -1.89 115.64 121.02 2chb s THR 19 Ca -0.16 0.06 -0.06 0.00 0.31 0.00 0.00 61.69 61.84 2chb s THR 19 Cb -0.17 -3.35 -0.05 0.00 0.01 0.00 0.00 72.50 68.94 2chb s THR 19 CO 0.07 0.32 -0.16 0.18 -0.69 0.00 0.00 174.62 174.35 2chb n LEU 20 N 4.63 0.91 -3.80 4.42 4.32 -0.06 -5.00 117.00 122.41 2chb n LEU 20 Ca -0.15 0.15 -0.28 0.00 -0.02 0.00 0.00 56.01 55.71 2chb n LEU 20 Cb 0.52 -0.37 0.04 0.00 -1.62 0.00 0.00 43.42 42.00 2chb n LEU 20 CO 0.33 0.27 0.13 0.59 -1.22 0.00 0.00 177.39 177.49 2chb n ASN 21 N -3.55 -4.90 -3.84 -1.43 4.13 0.09 -4.96 115.26 100.81 2chb n ASN 21 Ca -0.24 -0.71 -0.09 0.00 1.68 0.00 0.00 54.58 55.21 2chb n ASN 21 Cb 0.67 -4.24 -0.07 0.00 -1.54 0.00 0.00 39.78 34.60 2chb n ASN 21 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2chb s ASP 22 N -3.42 0.07 0.60 6.41 2.15 -1.02 -4.88 116.67 116.58 2chb s ASP 22 Ca 0.58 -0.62 -0.09 0.00 0.43 0.00 0.00 52.55 52.84 2chb s ASP 22 Cb -0.28 0.36 -0.02 0.00 -0.30 0.00 0.00 42.92 42.68 2chb s ASP 22 CO 0.80 -0.75 0.97 -1.59 -0.17 0.00 0.00 175.17 174.43 2chb s LYS 23 N -3.86 3.38 0.19 4.34 -2.85 -1.26 -0.81 119.74 118.88 2chb s LYS 23 Ca 0.05 0.48 -0.30 0.00 -1.00 0.00 0.00 55.97 55.20 2chb s LYS 23 Cb 0.04 -2.16 -0.09 0.00 -2.06 0.00 0.00 37.83 33.57 2chb s LYS 23 CO -0.11 -0.58 1.33 0.42 0.10 0.00 0.00 175.35 176.52 2chb s ILE 24 N -3.09 3.18 -0.09 3.79 1.01 -1.26 -4.70 121.20 120.05 2chb s ILE 24 Ca 0.54 0.96 -0.05 0.00 0.00 0.00 0.00 60.65 62.09 2chb s ILE 24 Cb -0.11 -3.61 -0.27 0.00 0.01 0.00 0.00 42.46 38.48 2chb s ILE 24 CO 0.50 0.13 0.49 0.15 0.00 0.00 0.00 174.94 176.22 2chb h PHE 25 N 5.54 0.48 -3.51 3.97 3.57 -1.14 -3.48 116.94 122.37 2chb h PHE 25 Ca -0.44 -0.35 -0.21 0.00 3.53 0.00 0.00 57.97 60.50 2chb h PHE 25 Cb 1.21 -0.02 -0.27 0.00 2.79 0.00 0.00 35.95 39.66 2chb h PHE 25 CO 0.62 1.66 -0.61 -1.12 -2.23 0.00 0.00 178.31 176.63 2chb s SER 26 N -6.99 -0.10 -0.10 0.41 0.01 -0.92 -4.96 113.70 101.06 2chb s SER 26 Ca -0.18 0.19 0.03 0.00 1.31 0.00 0.00 55.95 57.29 2chb s SER 26 Cb 0.06 0.19 0.01 0.00 0.21 0.00 0.00 66.02 66.49 2chb s SER 26 CO 0.80 -0.03 -0.19 -0.47 0.41 0.00 0.00 173.24 173.76 2chb s TYR 27 N 0.05 2.19 -0.03 2.43 5.04 -1.26 -1.38 117.35 124.38 2chb s TYR 27 Ca -0.00 -0.94 0.02 0.00 -2.44 0.00 0.00 57.07 53.71 2chb s TYR 27 Cb -0.01 -1.51 0.00 0.00 0.35 0.00 0.00 41.96 40.80 2chb s TYR 27 CO 0.00 -0.43 -0.09 0.99 -1.34 0.00 0.00 175.55 174.68 2chb s THR 28 N 0.63 0.83 0.01 4.34 2.01 0.76 -4.97 115.64 119.26 2chb s THR 28 Ca -0.13 -0.38 0.01 0.00 0.31 0.00 0.00 61.69 61.50 2chb s THR 28 Cb -0.16 -0.75 -0.01 0.00 0.01 0.00 0.00 72.50 71.59 2chb s THR 28 CO 0.04 0.26 -0.04 -1.83 -0.69 0.00 0.00 174.62 172.36 2chb s GLU 29 N 0.27 0.31 -0.01 4.92 -1.05 -1.26 -0.00 118.70 121.87 2chb s GLU 29 Ca -0.05 -0.36 0.05 0.00 -0.15 0.00 0.00 54.97 54.46 2chb s GLU 29 Cb -0.10 -0.16 -0.01 0.00 -0.44 0.00 0.00 34.13 33.42 2chb s GLU 29 CO 0.01 0.03 -0.15 0.45 0.95 0.00 0.00 175.26 176.55 2chb s SER 30 N -0.72 1.79 0.00 0.83 0.15 -0.42 -4.99 113.70 110.34 2chb s SER 30 Ca -0.05 -0.28 0.12 0.00 0.70 0.00 0.00 55.95 56.44 2chb s SER 30 Cb -0.05 -0.23 0.18 0.00 -1.71 0.00 0.00 66.02 64.21 2chb s SER 30 CO -0.00 0.18 1.02 0.00 1.20 0.00 0.00 173.24 175.64 2chb n LEU 31 N 2.75 2.36 -4.74 3.45 -0.00 -1.26 -3.19 117.00 116.37 2chb n LEU 31 Ca -0.15 -1.36 -0.42 0.00 -0.00 0.00 0.00 56.01 54.08 2chb n LEU 31 Cb 0.55 -0.09 -0.02 0.00 -0.00 0.00 0.00 43.42 43.85 2chb n LEU 31 CO 0.24 0.51 1.28 0.00 -0.00 0.00 0.00 177.39 179.42 2chb s ALA 32 N -1.00 3.81 0.12 1.47 0.00 -1.26 -4.85 121.76 120.05 2chb s ALA 32 Ca 0.18 1.55 -0.34 0.00 0.00 0.00 0.00 51.96 53.35 2chb s ALA 32 Cb 0.11 -3.66 -0.14 0.00 0.00 0.00 0.00 23.12 19.43 2chb s ALA 32 CO 0.16 -0.94 1.59 0.41 0.00 0.00 0.00 175.76 176.99 2chb n GLY 33 N 2.90 1.10 2.70 0.00 0.00 -1.26 -0.90 105.19 109.74 2chb n GLY 33 Ca 0.11 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.82 2chb n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2chb n LYS 34 N 3.75 -0.21 -2.76 1.61 4.76 -1.26 -4.85 118.16 119.20 2chb n LYS 34 Ca 0.18 0.05 -0.04 0.00 -2.87 0.00 0.00 58.31 55.63 2chb n LYS 34 Cb 0.28 -3.17 0.04 0.00 -1.84 0.00 0.00 35.03 30.34 2chb n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2chb n ARG 35 N -2.09 1.48 -2.71 1.97 5.12 -0.07 -5.01 116.66 115.36 2chb n ARG 35 Ca 0.00 -3.38 -0.42 0.00 -1.93 0.00 0.00 57.85 52.11 2chb n ARG 35 Cb 0.05 -1.44 -0.02 0.00 -1.16 0.00 0.00 32.46 29.89 2chb n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2chb s GLU 36 N -3.48 3.66 0.32 5.56 8.01 -1.18 -4.25 118.70 127.33 2chb s GLU 36 Ca 0.27 -1.51 -0.01 0.00 0.01 0.00 0.00 54.97 53.73 2chb s GLU 36 Cb 0.38 -5.21 -0.01 0.00 -4.31 0.00 0.00 34.13 24.98 2chb s GLU 36 CO -0.01 -2.04 0.40 0.00 0.01 0.00 0.00 175.26 173.61 2chb s MET 37 N 3.94 1.77 0.01 1.61 0.23 -1.19 -4.29 119.30 121.37 2chb s MET 37 Ca 0.42 -1.75 0.02 0.00 -1.03 0.00 0.00 55.69 53.35 2chb s MET 37 Cb -0.01 0.40 -0.01 0.00 -1.53 0.00 0.00 34.83 33.68 2chb s MET 37 CO -0.07 -0.70 -0.06 0.00 -2.03 0.00 0.00 175.02 172.15 2chb s ALA 38 N -3.35 0.51 -0.05 3.16 0.00 -1.23 -1.30 121.76 119.50 2chb s ALA 38 Ca 0.33 -0.42 0.02 0.00 0.00 0.00 0.00 51.96 51.88 2chb s ALA 38 Cb 0.01 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.08 2chb s ALA 38 CO 0.20 0.07 -0.08 0.42 0.00 0.00 0.00 175.76 176.37 2chb s ILE 39 N -0.55 0.81 0.10 0.00 1.01 0.99 -1.81 121.20 121.75 2chb s ILE 39 Ca -0.02 -0.31 0.09 0.00 0.00 0.00 0.00 60.65 60.42 2chb s ILE 39 Cb -0.05 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.62 2chb s ILE 39 CO 0.00 0.28 -0.24 0.27 0.00 0.00 0.00 174.94 175.24 2chb s ILE 40 N 0.64 2.00 0.16 2.92 -4.36 -0.50 -0.17 121.20 121.89 2chb s ILE 40 Ca -0.11 -1.56 0.04 0.00 -0.26 0.00 0.00 60.65 58.76 2chb s ILE 40 Cb -0.14 -1.77 -0.05 0.00 1.25 0.00 0.00 42.46 41.76 2chb s ILE 40 CO 0.02 0.11 -0.07 0.42 0.24 0.00 0.00 174.94 175.65 2chb s THR 41 N -1.01 1.06 0.35 8.37 -4.23 -0.48 -1.32 115.64 118.37 2chb s THR 41 Ca 0.11 -2.04 0.09 0.00 -1.18 0.00 0.00 61.69 58.66 2chb s THR 41 Cb -0.10 -1.93 -0.07 0.00 1.34 0.00 0.00 72.50 71.75 2chb s THR 41 CO 0.04 -0.67 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.02 2chb s PHE 42 N -3.40 2.36 0.48 3.99 0.08 -0.66 -0.54 117.98 120.30 2chb s PHE 42 Ca 0.19 -0.55 0.21 0.00 0.12 0.00 0.00 56.93 56.89 2chb s PHE 42 Cb 0.04 -1.40 1.24 0.00 -0.57 0.00 0.00 43.02 42.32 2chb s PHE 42 CO 0.02 0.52 1.95 0.87 -0.10 0.00 0.00 175.22 178.48 2chb h LYS 43 N 2.02 0.19 0.00 0.44 1.57 -1.90 -0.34 116.57 118.55 2chb h LYS 43 Ca -0.42 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2chb h LYS 43 Cb 1.25 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2chb h LYS 43 CO 0.71 0.13 0.00 0.27 -0.57 0.00 0.00 179.45 179.99 2chb n ASN 44 N -4.42 0.00 0.00 0.86 6.94 -1.26 -4.83 115.26 112.55 2chb n ASN 44 Ca 0.13 -0.74 0.00 0.00 -0.02 0.00 0.00 54.58 53.95 2chb n ASN 44 Cb 0.60 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.02 2chb n ASN 44 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2chb n GLY 45 N 0.27 1.27 3.71 4.83 0.00 -0.14 -5.03 105.19 110.11 2chb n GLY 45 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 2chb n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2chb n ALA 46 N -1.23 1.96 -3.35 4.61 0.00 -1.25 -4.78 120.51 116.46 2chb n ALA 46 Ca 0.00 0.39 -0.26 0.00 0.00 0.00 0.00 53.44 53.58 2chb n ALA 46 Cb 0.00 -2.39 -0.17 0.00 0.00 0.00 0.00 19.45 16.89 2chb n ALA 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2chb s THR 47 N 0.13 1.27 0.09 0.00 2.01 -1.26 -1.65 115.64 116.22 2chb s THR 47 Ca 0.67 -0.57 0.03 0.00 0.31 0.00 0.00 61.69 62.14 2chb s THR 47 Cb -0.57 -1.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 2chb s THR 47 CO 0.47 0.38 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.33 2chb s PHE 48 N 0.54 0.97 0.23 4.92 0.08 -0.44 -3.80 117.98 120.48 2chb s PHE 48 Ca -0.14 -0.68 0.06 0.00 0.12 0.00 0.00 56.93 56.30 2chb s PHE 48 Cb -0.15 -0.54 -0.05 0.00 -0.57 0.00 0.00 43.02 41.70 2chb s PHE 48 CO 0.04 -0.04 -0.08 1.14 -0.10 0.00 0.00 175.22 176.18 2chb s GLN 49 N -2.80 1.39 -0.28 0.44 -2.07 -0.08 -1.41 119.66 114.84 2chb s GLN 49 Ca 0.04 -1.67 -0.03 0.00 -1.82 0.00 0.00 55.36 51.89 2chb s GLN 49 Cb -0.02 -1.01 0.04 0.00 -1.09 0.00 0.00 33.01 30.92 2chb s GLN 49 CO -0.01 0.07 -0.01 0.08 -1.32 0.00 0.00 175.29 174.11 2chb s VAL 50 N -3.09 3.12 0.85 3.63 1.01 -0.75 0.05 120.40 125.21 2chb s VAL 50 Ca 0.26 -1.16 -0.13 0.00 0.00 0.00 0.00 61.98 60.95 2chb s VAL 50 Cb 0.02 -2.70 0.07 0.00 0.00 0.00 0.00 36.38 33.78 2chb s VAL 50 CO 0.09 0.02 0.95 -0.62 0.00 0.00 0.00 175.10 175.54 2chb n GLU 51 N 4.68 -0.03 -2.28 2.72 1.02 -1.26 -3.58 120.64 121.92 2chb n GLU 51 Ca -0.14 0.06 -0.40 0.00 -0.02 0.00 0.00 57.16 56.65 2chb n GLU 51 Cb 0.45 -2.24 -0.03 0.00 -0.02 0.00 0.00 31.44 29.60 2chb n GLU 51 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2chb s VAL 52 N -2.25 3.06 0.51 2.62 1.01 -1.26 -4.87 120.40 119.22 2chb s VAL 52 Ca 0.68 1.07 -0.22 0.00 0.00 0.00 0.00 61.98 63.51 2chb s VAL 52 Cb -0.27 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.37 2chb s VAL 52 CO 0.56 0.25 1.22 -2.84 0.00 0.00 0.00 175.10 174.30 2chb s PRO 53 N -1.65 3.44 0.00 2.72 0.02 -1.26 -4.97 135.00 133.29 2chb s PRO 53 Ca 0.47 1.89 0.00 0.00 0.02 0.00 0.00 61.00 63.38 2chb s PRO 53 Cb -0.36 -2.26 0.00 0.00 0.02 0.00 0.00 34.50 31.90 2chb s PRO 53 CO 0.47 -0.85 0.00 0.41 -0.33 0.00 0.00 177.00 176.70 2chb n GLY 54 N 0.51 1.11 0.25 0.52 0.00 -1.26 -5.04 105.19 101.28 2chb n GLY 54 Ca 0.09 -0.56 0.03 0.00 0.00 0.00 0.00 46.02 45.59 2chb n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2chb h SER 55 N 0.00 0.00 0.00 1.61 4.64 -2.03 -0.82 113.55 116.96 2chb h SER 55 Ca 0.00 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2chb h SER 55 Cb 0.00 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2chb h SER 55 CO 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.95 2chb n GLN 56 N -5.14 0.32 -4.58 4.77 -0.00 -1.26 -4.64 117.38 106.84 2chb n GLN 56 Ca 0.12 0.00 -0.24 0.00 -0.00 0.00 0.00 57.00 56.87 2chb n GLN 56 Cb 0.39 -1.07 -0.16 0.00 -0.00 0.00 0.00 30.24 29.39 2chb n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 2chb s HIS 57 N -1.54 1.41 0.57 2.61 3.76 -0.31 -5.14 115.29 116.65 2chb s HIS 57 Ca 0.00 -0.49 -0.07 0.00 -0.15 0.00 0.00 55.06 54.35 2chb s HIS 57 Cb 0.00 -1.02 -0.01 0.00 1.11 0.00 0.00 32.58 32.65 2chb s HIS 57 CO 0.00 -0.24 0.91 0.96 -0.85 0.00 0.00 174.74 175.52 2chb s ILE 58 N 0.55 4.25 0.64 0.60 -4.36 -1.26 -4.86 121.20 116.76 2chb s ILE 58 Ca -0.12 0.28 0.32 0.00 -0.26 0.00 0.00 60.65 60.87 2chb s ILE 58 Cb -0.15 -3.67 0.35 0.00 1.25 0.00 0.00 42.46 40.24 2chb s ILE 58 CO 0.03 -0.74 2.03 0.44 0.24 0.00 0.00 174.94 176.94 2chb h ASP 59 N -0.12 0.00 1.46 4.36 3.32 -1.98 -0.20 116.42 123.25 2chb h ASP 59 Ca -0.46 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.51 2chb h ASP 59 Cb 1.23 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 2chb h ASP 59 CO 0.62 0.00 -0.56 0.77 -1.72 0.00 0.00 179.24 178.35 2chb h SER 60 N 0.00 0.00 1.53 6.45 4.64 -2.05 -3.24 113.55 120.88 2chb h SER 60 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2chb h SER 60 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2chb h SER 60 CO -0.00 0.36 0.00 1.56 -0.87 0.00 0.00 176.83 177.87 2chb h GLN 61 N 0.00 0.00 0.29 4.77 4.20 -1.39 -3.36 115.11 119.61 2chb h GLN 61 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2chb h GLN 61 Cb 1.29 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.04 2chb h GLN 61 CO 0.04 0.00 -0.38 0.87 -0.67 0.00 0.00 178.83 178.69 2chb h LYS 62 N 0.00 -0.70 -0.14 1.46 6.56 -1.58 0.10 116.57 122.27 2chb h LYS 62 Ca 0.00 0.05 -0.07 0.00 -1.06 0.00 0.00 60.65 59.57 2chb h LYS 62 Cb 0.76 0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 32.57 2chb h LYS 62 CO 0.00 -0.47 -0.23 1.57 -2.06 0.00 0.00 179.45 178.27 2chb h LYS 63 N -0.72 0.24 -0.32 3.15 2.10 -1.80 -2.82 116.57 116.40 2chb h LYS 63 Ca -0.01 -0.08 -0.10 0.00 -2.00 0.00 0.00 60.65 58.46 2chb h LYS 63 Cb 0.68 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.98 2chb h LYS 63 CO -0.12 0.47 -0.24 0.00 -2.00 0.00 0.00 179.45 177.56 2chb h ALA 64 N 1.55 0.99 -0.41 0.07 0.00 -1.59 0.60 119.26 120.46 2chb h ALA 64 Ca 0.04 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 2chb h ALA 64 Cb 0.53 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2chb h ALA 64 CO 0.04 0.60 0.05 0.82 0.00 0.00 0.00 179.25 180.75 2chb h ILE 65 N 0.55 1.25 -0.62 0.00 2.04 -0.57 -0.48 117.51 119.69 2chb h ILE 65 Ca 0.08 -0.91 -0.05 0.00 1.00 0.00 0.00 64.86 64.98 2chb h ILE 65 Cb 0.70 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 2chb h ILE 65 CO 0.05 0.31 0.20 -0.33 0.00 0.00 0.00 178.15 178.39 2chb h GLU 66 N 0.54 0.95 -0.61 2.37 4.39 -1.32 -2.54 114.58 118.36 2chb h GLU 66 Ca 0.12 -0.20 -0.06 0.00 0.34 0.00 0.00 59.36 59.56 2chb h GLU 66 Cb 0.40 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 2chb h GLU 66 CO 0.01 0.84 0.14 -0.09 -1.16 0.00 0.00 179.01 178.74 2chb h ARG 67 N 0.88 0.96 -0.78 2.33 2.43 -0.67 -2.57 114.38 116.96 2chb h ARG 67 Ca 0.20 -0.22 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 2chb h ARG 67 Cb 0.27 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 2chb h ARG 67 CO -0.01 0.86 0.30 1.98 -1.51 0.00 0.00 179.97 181.60 2chb h MET 68 N 0.92 1.18 -0.54 0.20 4.05 -0.80 -1.28 114.93 118.66 2chb h MET 68 Ca 0.19 -0.22 -0.06 0.00 -0.28 0.00 0.00 59.70 59.33 2chb h MET 68 Cb 0.35 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.93 2chb h MET 68 CO 0.00 0.96 0.08 0.87 0.23 0.00 0.00 176.91 179.06 2chb h LYS 69 N 1.14 0.87 -0.54 0.39 1.57 -1.14 -0.72 116.57 118.14 2chb h LYS 69 Ca 0.26 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 2chb h LYS 69 Cb 0.23 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 2chb h LYS 69 CO -0.02 0.81 0.04 -0.44 -0.57 0.00 0.00 179.45 179.28 2chb h ASP 70 N 0.82 0.89 -0.23 0.86 3.32 -1.06 -1.77 116.42 119.24 2chb h ASP 70 Ca 0.17 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 2chb h ASP 70 Cb 0.37 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 2chb h ASP 70 CO 0.01 0.95 0.12 0.74 -1.72 0.00 0.00 179.24 179.34 2chb h THR 71 N 0.80 1.12 -0.68 0.35 2.02 -0.77 -1.91 112.91 113.84 2chb h THR 71 Ca 0.16 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 2chb h THR 71 Cb 0.47 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 2chb h THR 71 CO 0.02 0.12 0.31 -0.07 0.37 0.00 0.00 175.52 176.27 2chb h LEU 72 N 0.26 0.89 -0.03 2.58 3.38 -1.06 0.10 115.31 121.44 2chb h LEU 72 Ca 0.08 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2chb h LEU 72 Cb 0.08 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2chb h LEU 72 CO -0.01 0.77 0.00 -0.09 0.09 0.00 0.00 178.44 179.20 2chb h ARG 73 N 0.97 0.05 -0.22 1.13 2.43 -1.08 -1.03 114.38 116.64 2chb h ARG 73 Ca 0.23 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.27 2chb h ARG 73 Cb 0.13 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2chb h ARG 73 CO -0.03 0.34 -0.36 0.97 -1.51 0.00 0.00 179.97 179.38 2chb h ILE 74 N -0.24 1.29 -0.26 1.20 2.10 -1.14 -1.49 117.51 118.97 2chb h ILE 74 Ca 0.01 -1.47 -0.00 0.00 1.08 0.00 0.00 64.86 64.48 2chb h ILE 74 Cb 0.31 1.52 -0.01 0.00 -1.09 0.00 0.00 36.82 37.54 2chb h ILE 74 CO 0.00 0.46 0.16 0.00 -1.08 0.00 0.00 178.15 177.69 2chb h ALA 75 N 1.22 0.34 0.22 0.18 0.00 -0.75 -0.15 119.26 120.31 2chb h ALA 75 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2chb h ALA 75 Cb 0.81 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2chb h ALA 75 CO 0.07 -0.16 -0.22 -0.92 0.00 0.00 0.00 179.25 178.01 2chb h TYR 76 N 0.33 -0.59 -0.57 0.00 3.20 -0.84 -0.22 116.97 118.29 2chb h TYR 76 Ca 0.09 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.98 2chb h TYR 76 Cb 0.01 0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 2chb h TYR 76 CO -0.05 -0.33 0.38 -0.07 -1.64 0.00 0.00 178.16 176.45 2chb h LEU 77 N -0.47 0.63 -0.63 2.82 3.38 -1.15 -1.93 115.31 117.97 2chb h LEU 77 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2chb h LEU 77 Cb 0.44 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2chb h LEU 77 CO -0.06 0.45 -0.18 0.35 0.09 0.00 0.00 178.44 179.10 2chb n THR 78 N -4.45 0.00 -3.43 0.22 -2.24 -0.08 -4.95 114.28 99.35 2chb n THR 78 Ca 0.06 -0.16 -0.23 0.00 -2.27 0.00 0.00 64.05 61.45 2chb n THR 78 Cb 0.07 0.42 0.07 0.00 -2.10 0.00 0.00 70.33 68.78 2chb n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2chb n GLU 79 N -0.41 -7.03 -2.44 -0.78 1.02 -0.17 -4.97 120.64 105.86 2chb n GLU 79 Ca 0.14 0.82 -0.39 0.00 -0.02 0.00 0.00 57.16 57.71 2chb n GLU 79 Cb 0.35 -5.76 -0.04 0.00 -0.02 0.00 0.00 31.44 25.97 2chb n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2chb s ALA 80 N -3.28 3.33 -0.02 0.62 0.00 -0.74 -4.82 121.76 116.86 2chb s ALA 80 Ca 0.50 0.90 -0.30 0.00 0.00 0.00 0.00 51.96 53.06 2chb s ALA 80 Cb -0.22 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 2chb s ALA 80 CO 0.62 -0.25 1.00 0.15 0.00 0.00 0.00 175.76 177.29 2chb s LYS 81 N -1.75 4.53 -0.14 0.00 1.02 -1.26 -4.20 119.74 117.94 2chb s LYS 81 Ca 0.49 1.44 -0.21 0.00 0.02 0.00 0.00 55.97 57.70 2chb s LYS 81 Cb -0.31 -3.47 -0.03 0.00 -0.52 0.00 0.00 37.83 33.50 2chb s LYS 81 CO 0.39 -0.11 0.61 0.08 -0.92 0.00 0.00 175.35 175.39 2chb s VAL 82 N 1.21 5.08 -0.01 3.17 1.01 0.01 -3.90 120.40 126.97 2chb s VAL 82 Ca 0.52 1.19 -0.00 0.00 0.00 0.00 0.00 61.98 63.69 2chb s VAL 82 Cb -0.21 -3.94 -0.00 0.00 0.00 0.00 0.00 36.38 32.23 2chb s VAL 82 CO 0.26 0.21 -0.00 -0.08 0.00 0.00 0.00 175.10 175.50 2chb h GLU 83 N 7.05 0.00 -4.80 2.72 4.81 -0.78 0.37 114.58 123.95 2chb h GLU 83 Ca -0.37 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.59 2chb h GLU 83 Cb 1.17 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.40 2chb h GLU 83 CO 0.76 0.00 -0.68 0.15 -0.73 0.00 0.00 179.01 178.51 2chb s LYS 84 N -1.04 1.01 -0.03 1.92 1.02 -1.14 -0.89 119.74 120.60 2chb s LYS 84 Ca -0.00 -1.45 0.02 0.00 0.02 0.00 0.00 55.97 54.56 2chb s LYS 84 Cb 0.00 -0.31 0.01 0.00 -0.52 0.00 0.00 37.83 37.00 2chb s LYS 84 CO 0.00 -0.05 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.79 2chb s LEU 85 N -3.13 1.73 -0.24 3.17 1.43 -0.79 -1.16 118.68 119.70 2chb s LEU 85 Ca 0.18 -0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 53.00 2chb s LEU 85 Cb 0.05 -0.48 -0.05 0.00 0.03 0.00 0.00 46.19 45.74 2chb s LEU 85 CO 0.00 0.04 0.24 0.00 0.23 0.00 0.00 176.35 176.87 2chb s VAL 87 N 1.31 1.12 -0.08 0.00 0.11 0.13 -0.37 120.40 122.63 2chb s VAL 87 Ca 0.11 -0.92 -0.25 0.00 -2.93 0.00 0.00 61.98 57.99 2chb s VAL 87 Cb -0.14 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.68 2chb s VAL 87 CO 0.07 0.07 0.78 0.26 -3.33 0.00 0.00 175.10 172.94 2chb s TRP 88 N -0.75 3.56 -1.99 1.54 0.51 -0.08 0.33 118.94 122.06 2chb s TRP 88 Ca 0.02 1.33 0.23 0.00 -2.12 0.00 0.00 56.10 55.56 2chb s TRP 88 Cb -0.07 -2.91 0.66 0.00 -0.81 0.00 0.00 33.47 30.34 2chb s TRP 88 CO 0.01 -0.00 1.55 0.27 -0.51 0.00 0.00 176.95 178.27 2chb n ASN 89 N 4.12 3.99 -1.53 2.95 0.23 0.44 -2.71 115.26 122.76 2chb n ASN 89 Ca 0.01 -2.00 0.07 0.00 -0.53 0.00 0.00 54.58 52.13 2chb n ASN 89 Cb 0.51 -0.50 0.32 0.00 -2.08 0.00 0.00 39.78 38.03 2chb n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2chb n ASN 90 N 1.68 4.52 -4.18 0.53 6.94 -1.26 -4.90 115.26 118.59 2chb n ASN 90 Ca 0.25 -2.58 -0.11 0.00 -0.02 0.00 0.00 54.58 52.12 2chb n ASN 90 Cb 0.63 -0.59 -0.10 0.00 -2.36 0.00 0.00 39.78 37.36 2chb n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2chb s LYS 91 N -2.14 0.86 -0.12 -3.83 3.01 -1.26 -5.09 119.74 111.17 2chb s LYS 91 Ca 0.44 -1.34 -0.04 0.00 -1.01 0.00 0.00 55.97 54.02 2chb s LYS 91 Cb 0.31 -0.27 0.06 0.00 -1.01 0.00 0.00 37.83 36.93 2chb s LYS 91 CO 0.17 -0.00 0.20 0.99 0.51 0.00 0.00 175.35 177.21 2chb s THR 92 N -3.53 -0.31 1.06 2.17 2.01 -1.26 -3.46 115.64 112.32 2chb s THR 92 Ca 0.12 0.23 -0.12 0.00 0.31 0.00 0.00 61.69 62.23 2chb s THR 92 Cb 0.05 -0.42 0.22 0.00 0.01 0.00 0.00 72.50 72.36 2chb s THR 92 CO -0.04 0.06 1.06 -2.16 -0.69 0.00 0.00 174.62 172.85 2chb s PRO 93 N 2.33 -0.09 0.20 4.92 0.04 -1.26 -5.05 135.00 136.08 2chb s PRO 93 Ca 0.03 0.78 -0.32 0.00 0.04 0.00 0.00 61.00 61.54 2chb s PRO 93 Cb -0.13 -1.65 -0.12 0.00 0.04 0.00 0.00 34.50 32.64 2chb s PRO 93 CO -0.08 -3.15 1.73 -1.01 0.04 0.00 0.00 177.00 174.53 2chb s HIS 94 N -2.70 2.83 0.10 0.56 3.76 -1.22 -4.55 115.29 114.07 2chb s HIS 94 Ca 0.67 0.31 -0.29 0.00 -0.15 0.00 0.00 55.06 55.60 2chb s HIS 94 Cb -0.22 -4.14 -0.06 0.00 1.11 0.00 0.00 32.58 29.27 2chb s HIS 94 CO 0.61 -4.36 0.91 0.00 -0.85 0.00 0.00 174.74 171.05 2chb s ALA 95 N 1.35 3.28 0.05 -1.40 0.00 -1.10 -0.90 121.76 123.04 2chb s ALA 95 Ca 0.75 0.50 -0.30 0.00 0.00 0.00 0.00 51.96 52.92 2chb s ALA 95 Cb -0.49 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 19.37 2chb s ALA 95 CO 0.32 -0.00 1.06 0.42 0.00 0.00 0.00 175.76 177.56 2chb s ILE 96 N -0.03 4.45 -0.12 0.00 1.01 0.11 -0.90 121.20 125.73 2chb s ILE 96 Ca 0.45 1.83 0.05 0.00 0.00 0.00 0.00 60.65 62.98 2chb s ILE 96 Cb -0.23 -4.17 -0.11 0.00 0.01 0.00 0.00 42.46 37.97 2chb s ILE 96 CO 0.28 0.18 -0.04 0.00 0.00 0.00 0.00 174.94 175.36 2chb n ALA 97 N 3.58 1.73 -3.38 9.38 0.00 0.50 -4.84 120.51 127.48 2chb n ALA 97 Ca 0.06 -0.62 -0.11 0.00 0.00 0.00 0.00 53.44 52.77 2chb n ALA 97 Cb 0.49 0.11 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 2chb n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2chb s ALA 98 N -2.26 -1.32 -0.02 0.00 0.00 -1.05 -4.96 121.76 112.15 2chb s ALA 98 Ca -0.11 0.18 -0.05 0.00 0.00 0.00 0.00 51.96 51.97 2chb s ALA 98 Cb 0.04 0.85 0.00 0.00 0.00 0.00 0.00 23.12 24.01 2chb s ALA 98 CO 0.36 -0.79 0.12 -1.50 0.00 0.00 0.00 175.76 173.96 2chb s ILE 99 N -3.80 0.05 -0.02 0.00 2.07 -1.26 -1.16 121.20 117.07 2chb s ILE 99 Ca 0.04 -0.40 0.04 0.00 -1.41 0.00 0.00 60.65 58.92 2chb s ILE 99 Cb -0.01 -0.31 -0.01 0.00 0.13 0.00 0.00 42.46 42.26 2chb s ILE 99 CO -0.09 -0.22 -0.14 -0.94 -1.91 0.00 0.00 174.94 171.64 2chb s SER 100 N -0.73 1.71 -0.07 4.50 1.04 -0.31 -5.00 113.70 114.84 2chb s SER 100 Ca -0.08 -0.27 0.02 0.00 0.48 0.00 0.00 55.95 56.10 2chb s SER 100 Cb -0.05 -0.29 0.01 0.00 0.10 0.00 0.00 66.02 65.80 2chb s SER 100 CO 0.01 0.16 -0.13 -0.04 0.98 0.00 0.00 173.24 174.21 2chb s MET 101 N -0.18 1.87 -0.00 4.02 -1.94 -1.26 -0.07 119.30 121.73 2chb s MET 101 Ca 0.02 -0.46 0.03 0.00 -1.71 0.00 0.00 55.69 53.57 2chb s MET 101 Cb -0.07 -1.54 -0.01 0.00 2.01 0.00 0.00 34.83 35.22 2chb s MET 101 CO 0.00 0.02 -0.09 0.00 -0.01 0.00 0.00 175.02 174.94 2chb s ALA 102 N 0.71 0.74 -0.37 3.03 0.00 -1.25 -4.88 121.76 119.74 2chb s ALA 102 Ca -0.13 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.42 2chb s ALA 102 Cb -0.16 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.78 2chb s ALA 102 CO 0.03 0.17 0.09 0.09 0.00 0.00 0.00 175.76 176.15