#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2chb s PRO 2 N 0.00 4.02 0.03 -2.82 0.04 -1.26 -4.87 135.00 130.13 2chb s PRO 2 Ca 0.00 2.38 0.23 0.00 0.04 0.00 0.00 61.00 63.65 2chb s PRO 2 Cb 0.00 -2.86 0.17 0.00 0.04 0.00 0.00 34.50 31.85 2chb s PRO 2 CO 0.00 -0.53 1.15 1.04 0.04 0.00 0.00 177.00 178.70 2chb n GLN 3 N 0.29 0.14 -3.90 4.56 1.13 -1.26 -4.94 117.38 113.39 2chb n GLN 3 Ca 0.02 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.99 2chb n GLN 3 Cb 0.41 -1.55 -0.01 0.00 0.11 0.00 0.00 30.24 29.20 2chb n GLN 3 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2chb s ASN 4 N -3.45 0.06 0.32 1.08 2.20 -1.26 -5.05 114.94 108.84 2chb s ASN 4 Ca 0.07 -1.02 0.01 0.00 -0.94 0.00 0.00 52.86 50.99 2chb s ASN 4 Cb 0.16 0.74 0.53 0.00 -2.00 0.00 0.00 41.25 40.68 2chb s ASN 4 CO 0.77 -1.44 1.89 -0.29 -2.94 0.00 0.00 177.10 175.10 2chb h ILE 5 N 2.06 1.20 0.01 0.54 2.10 -1.95 -1.83 117.51 119.64 2chb h ILE 5 Ca -0.27 -0.65 -0.00 0.00 1.08 0.00 0.00 64.86 65.02 2chb h ILE 5 Cb 1.25 0.62 0.00 0.00 -1.09 0.00 0.00 36.82 37.60 2chb h ILE 5 CO 0.35 0.25 -0.01 0.74 -1.08 0.00 0.00 178.15 178.40 2chb h THR 6 N 0.73 1.10 -0.87 2.19 2.02 -1.99 0.71 112.91 116.80 2chb h THR 6 Ca 0.17 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 2chb h THR 6 Cb 0.19 1.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 2chb h THR 6 CO -0.01 0.09 0.44 0.44 0.37 0.00 0.00 175.52 176.85 2chb h ASP 7 N -0.16 1.11 0.04 4.18 3.32 -1.94 -1.40 116.42 121.58 2chb h ASP 7 Ca -0.00 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 2chb h ASP 7 Cb 0.15 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.42 2chb h ASP 7 CO 0.00 0.92 -0.02 0.25 -1.72 0.00 0.00 179.24 178.67 2chb h LEU 8 N 1.23 -0.05 -0.99 1.55 6.46 -1.12 -3.03 115.31 119.36 2chb h LEU 8 Ca 0.30 -0.09 0.06 0.00 -0.12 0.00 0.00 57.88 58.03 2chb h LEU 8 Cb 0.08 0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 39.95 2chb h LEU 8 CO -0.04 0.06 0.64 0.00 -0.62 0.00 0.00 178.44 178.48 2chb n ALA 10 N -2.36 1.46 1.53 0.00 0.00 -0.56 -2.40 120.51 118.17 2chb n ALA 10 Ca 0.15 -0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.68 2chb n ALA 10 Cb 0.17 -1.14 0.54 0.00 0.00 0.00 0.00 19.45 19.03 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 -1.41 1.52 -4.31 0.00 1.02 -0.37 -4.88 120.64 112.22 2chb n GLU 11 Ca 0.03 -0.77 -0.18 0.00 -0.02 0.00 0.00 57.16 56.21 2chb n GLU 11 Cb 0.08 -1.43 -0.10 0.00 -0.02 0.00 0.00 31.44 29.97 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 -1.93 1.60 0.36 -0.32 1.51 -1.01 -5.14 117.35 112.42 2chb s TYR 12 Ca 0.36 -0.58 -0.11 0.00 -1.01 0.00 0.00 57.07 55.73 2chb s TYR 12 Cb 0.19 -0.78 -0.07 0.00 -0.11 0.00 0.00 41.96 41.19 2chb s TYR 12 CO 0.30 0.28 0.72 -1.01 -1.11 0.00 0.00 175.55 174.73 2chb s HIS 13 N -2.74 3.44 -1.41 2.71 3.76 -1.26 -4.34 115.29 115.46 2chb s HIS 13 Ca 0.18 1.04 -0.06 0.00 -0.15 0.00 0.00 55.06 56.07 2chb s HIS 13 Cb -0.02 -2.42 0.01 0.00 1.11 0.00 0.00 32.58 31.26 2chb s HIS 13 CO 0.05 0.00 0.78 0.09 -0.85 0.00 0.00 174.74 174.81 2chb n ASN 14 N -0.93 -6.01 -4.36 1.40 5.03 -1.26 -4.94 115.26 104.18 2chb n ASN 14 Ca 0.02 -0.36 -0.21 0.00 0.87 0.00 0.00 54.58 54.90 2chb n ASN 14 Cb 0.54 -4.75 -0.11 0.00 -1.02 0.00 0.00 39.78 34.44 2chb n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2chb s THR 15 N -3.21 1.92 0.07 3.41 -4.23 -1.26 -0.18 115.64 112.17 2chb s THR 15 Ca 0.39 -2.10 -0.18 0.00 -1.18 0.00 0.00 61.69 58.63 2chb s THR 15 Cb -0.17 -2.00 0.04 0.00 1.34 0.00 0.00 72.50 71.71 2chb s THR 15 CO 0.48 -0.41 0.41 0.00 -0.54 0.00 0.00 174.62 174.56 2chb s GLN 16 N -3.18 0.97 -0.12 3.99 -2.07 -0.35 -4.87 119.66 114.03 2chb s GLN 16 Ca 0.20 -0.47 -0.06 0.00 -1.82 0.00 0.00 55.36 53.21 2chb s GLN 16 Cb -0.04 0.43 -0.04 0.00 -1.09 0.00 0.00 33.01 32.27 2chb s GLN 16 CO 0.08 -0.35 0.12 0.42 -1.32 0.00 0.00 175.29 174.24 2chb s ILE 17 N -2.91 5.32 -0.10 3.63 -1.09 -1.26 -1.52 121.20 123.28 2chb s ILE 17 Ca -0.03 0.14 0.04 0.00 -2.23 0.00 0.00 60.65 58.57 2chb s ILE 17 Cb 0.00 -3.31 0.00 0.00 -1.58 0.00 0.00 42.46 37.57 2chb s ILE 17 CO -0.05 0.61 -0.23 -1.00 -1.23 0.00 0.00 174.94 173.03 2chb s HIS 18 N -0.97 2.49 -0.37 3.97 3.76 -0.32 -4.98 115.29 118.86 2chb s HIS 18 Ca 0.15 -1.00 -0.09 0.00 -0.15 0.00 0.00 55.06 53.96 2chb s HIS 18 Cb -0.12 -1.66 0.04 0.00 1.11 0.00 0.00 32.58 31.95 2chb s HIS 18 CO 0.04 -0.40 0.19 0.99 -0.85 0.00 0.00 174.74 174.70 2chb s THR 19 N 0.33 4.25 -0.27 1.30 2.01 -1.26 -1.57 115.64 120.43 2chb s THR 19 Ca -0.18 -1.07 -0.10 0.00 0.31 0.00 0.00 61.69 60.64 2chb s THR 19 Cb -0.18 -3.44 -0.13 0.00 0.01 0.00 0.00 72.50 68.77 2chb s THR 19 CO 0.08 -0.28 -0.32 0.18 -0.69 0.00 0.00 174.62 173.59 2chb n LEU 20 N 4.92 2.13 -3.82 4.42 4.77 -0.32 -5.01 117.00 124.09 2chb n LEU 20 Ca -0.12 0.23 -0.24 0.00 -0.03 0.00 0.00 56.01 55.85 2chb n LEU 20 Cb 0.45 -0.81 0.02 0.00 -2.33 0.00 0.00 43.42 40.74 2chb n LEU 20 CO 0.35 0.64 -0.07 0.59 -1.33 0.00 0.00 177.39 177.57 2chb n ASN 21 N -4.01 -1.73 -3.86 -1.43 3.02 -0.58 -4.97 115.26 101.70 2chb n ASN 21 Ca -0.51 -0.86 -0.09 0.00 -0.03 0.00 0.00 54.58 53.08 2chb n ASN 21 Cb 0.90 -3.75 -0.05 0.00 -0.61 0.00 0.00 39.78 36.26 2chb n ASN 21 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2chb s ASP 22 N -4.13 -0.11 0.42 6.41 2.15 -0.98 -4.90 116.67 115.54 2chb s ASP 22 Ca 0.16 -0.69 -0.09 0.00 0.43 0.00 0.00 52.55 52.35 2chb s ASP 22 Cb -0.08 0.51 -0.06 0.00 -0.30 0.00 0.00 42.92 43.00 2chb s ASP 22 CO 0.84 -0.99 0.77 -1.59 -0.17 0.00 0.00 175.17 174.04 2chb s LYS 23 N -3.93 3.73 0.17 4.34 -2.85 -1.26 -0.88 119.74 119.06 2chb s LYS 23 Ca 0.14 0.41 -0.31 0.00 -1.00 0.00 0.00 55.97 55.21 2chb s LYS 23 Cb 0.01 -2.39 -0.09 0.00 -2.06 0.00 0.00 37.83 33.30 2chb s LYS 23 CO -0.01 -0.08 1.48 0.42 0.10 0.00 0.00 175.35 177.26 2chb s ILE 24 N -2.46 2.86 -0.02 3.79 1.01 -1.26 -4.65 121.20 120.46 2chb s ILE 24 Ca 0.50 0.64 -0.15 0.00 0.00 0.00 0.00 60.65 61.64 2chb s ILE 24 Cb -0.10 -3.41 -0.33 0.00 0.01 0.00 0.00 42.46 38.63 2chb s ILE 24 CO 0.34 0.06 0.82 0.15 0.00 0.00 0.00 174.94 176.31 2chb h PHE 25 N 6.38 0.78 -3.39 3.97 3.57 -0.59 -3.48 116.94 124.17 2chb h PHE 25 Ca -0.43 -0.57 -0.12 0.00 3.53 0.00 0.00 57.97 60.38 2chb h PHE 25 Cb 1.21 -0.03 -0.19 0.00 2.79 0.00 0.00 35.95 39.73 2chb h PHE 25 CO 0.64 1.57 -0.38 -1.54 -2.23 0.00 0.00 178.31 176.38 2chb s SER 26 N -7.35 -0.04 -0.04 0.41 1.04 -1.11 -4.97 113.70 101.64 2chb s SER 26 Ca -0.13 -0.20 0.02 0.00 0.48 0.00 0.00 55.95 56.11 2chb s SER 26 Cb 0.04 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.46 2chb s SER 26 CO 0.88 -0.49 -0.07 -0.47 0.98 0.00 0.00 173.24 174.07 2chb s TYR 27 N -1.95 0.91 -0.05 5.02 6.14 -1.26 -1.92 117.35 124.25 2chb s TYR 27 Ca -0.10 -0.27 0.04 0.00 0.64 0.00 0.00 57.07 57.38 2chb s TYR 27 Cb -0.04 -0.73 -0.00 0.00 0.42 0.00 0.00 41.96 41.61 2chb s TYR 27 CO -0.00 -0.19 -0.17 0.99 0.64 0.00 0.00 175.55 176.83 2chb s THR 28 N 0.71 1.39 0.03 4.34 2.01 -0.20 -5.00 115.64 118.92 2chb s THR 28 Ca -0.11 -0.69 0.05 0.00 0.31 0.00 0.00 61.69 61.25 2chb s THR 28 Cb -0.14 -1.20 -0.02 0.00 0.01 0.00 0.00 72.50 71.15 2chb s THR 28 CO 0.01 0.40 -0.15 -0.70 -0.69 0.00 0.00 174.62 173.50 2chb s GLU 29 N 0.10 1.00 0.01 4.92 2.12 -1.26 -1.50 118.70 124.09 2chb s GLU 29 Ca -0.05 -0.74 0.03 0.00 0.36 0.00 0.00 54.97 54.57 2chb s GLU 29 Cb -0.12 -1.02 -0.01 0.00 0.26 0.00 0.00 34.13 33.24 2chb s GLU 29 CO 0.02 0.26 -0.09 0.45 -0.54 0.00 0.00 175.26 175.36 2chb s SER 30 N -1.04 1.09 0.00 -1.70 0.15 -0.45 -5.01 113.70 106.73 2chb s SER 30 Ca 0.03 -0.27 0.02 0.00 0.70 0.00 0.00 55.95 56.42 2chb s SER 30 Cb -0.08 -0.09 0.02 0.00 -1.71 0.00 0.00 66.02 64.17 2chb s SER 30 CO 0.01 0.04 0.72 0.00 1.20 0.00 0.00 173.24 175.21 2chb n LEU 31 N 2.48 1.48 -4.74 3.45 -0.00 -1.26 -3.10 117.00 115.29 2chb n LEU 31 Ca -0.16 -1.33 -0.42 0.00 -0.00 0.00 0.00 56.01 54.10 2chb n LEU 31 Cb 0.56 -0.01 -0.02 0.00 -0.00 0.00 0.00 43.42 43.95 2chb n LEU 31 CO 0.24 0.36 1.23 0.00 -0.00 0.00 0.00 177.39 179.22 2chb s ALA 32 N -0.43 3.75 0.06 1.47 0.00 -1.26 -4.79 121.76 120.56 2chb s ALA 32 Ca 0.03 1.52 -0.35 0.00 0.00 0.00 0.00 51.96 53.15 2chb s ALA 32 Cb 0.02 -3.63 -0.14 0.00 0.00 0.00 0.00 23.12 19.36 2chb s ALA 32 CO 0.02 -0.92 1.62 0.41 0.00 0.00 0.00 175.76 176.89 2chb n GLY 33 N 2.44 1.07 3.07 0.00 0.00 -1.26 -0.44 105.19 110.06 2chb n GLY 33 Ca 0.09 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.84 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 4.12 0.00 -1.96 1.61 5.02 -1.26 -4.82 118.16 120.87 2chb n LYS 34 Ca 0.19 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.44 2chb n LYS 34 Cb 0.26 -2.39 0.06 0.00 -0.02 0.00 0.00 35.03 32.94 2chb n LYS 34 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2chb n ARG 35 N -2.00 1.83 -2.48 1.97 5.12 0.42 -4.98 116.66 116.53 2chb n ARG 35 Ca 0.00 -3.32 -0.39 0.00 -1.93 0.00 0.00 57.85 52.21 2chb n ARG 35 Cb 0.00 -1.43 -0.03 0.00 -1.16 0.00 0.00 32.46 29.84 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 -2.82 3.49 0.34 5.56 8.01 -1.08 -4.33 118.70 127.87 2chb s GLU 36 Ca 0.37 -1.20 -0.03 0.00 0.01 0.00 0.00 54.97 54.12 2chb s GLU 36 Cb 0.37 -5.35 0.00 0.00 -4.31 0.00 0.00 34.13 24.84 2chb s GLU 36 CO -0.05 -2.45 0.48 0.00 0.01 0.00 0.00 175.26 173.25 2chb s MET 37 N 5.15 1.89 0.02 1.61 0.23 -1.18 -4.43 119.30 122.59 2chb s MET 37 Ca 0.52 -1.73 0.03 0.00 -1.03 0.00 0.00 55.69 53.48 2chb s MET 37 Cb -0.00 0.45 -0.02 0.00 -1.53 0.00 0.00 34.83 33.73 2chb s MET 37 CO -0.04 -0.78 -0.09 0.00 -2.03 0.00 0.00 175.02 172.07 2chb s ALA 38 N -3.10 0.75 -0.02 3.16 0.00 -1.24 -1.34 121.76 119.97 2chb s ALA 38 Ca 0.30 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.69 2chb s ALA 38 Cb -0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.02 2chb s ALA 38 CO 0.20 0.12 -0.10 0.42 0.00 0.00 0.00 175.76 176.39 2chb s ILE 39 N -0.73 0.87 0.21 0.00 1.09 -0.56 -1.33 121.20 120.75 2chb s ILE 39 Ca -0.01 -0.43 0.08 0.00 -1.10 0.00 0.00 60.65 59.19 2chb s ILE 39 Cb -0.06 -0.76 -0.05 0.00 -1.06 0.00 0.00 42.46 40.53 2chb s ILE 39 CO 0.00 0.26 -0.16 0.27 -0.10 0.00 0.00 174.94 175.22 2chb s ILE 40 N 0.03 1.86 0.05 2.92 -4.36 -0.12 -1.03 121.20 120.54 2chb s ILE 40 Ca -0.01 -2.18 0.01 0.00 -0.26 0.00 0.00 60.65 58.21 2chb s ILE 40 Cb -0.07 -2.04 -0.03 0.00 1.25 0.00 0.00 42.46 41.57 2chb s ILE 40 CO 0.00 -0.51 -0.05 -0.89 0.24 0.00 0.00 174.94 173.73 2chb s THR 41 N -2.73 0.36 0.31 8.37 2.01 -0.81 -1.46 115.64 121.70 2chb s THR 41 Ca 0.22 -1.31 0.11 0.00 0.31 0.00 0.00 61.69 61.02 2chb s THR 41 Cb -0.02 -0.85 -0.06 0.00 0.01 0.00 0.00 72.50 71.58 2chb s THR 41 CO 0.08 -0.62 -0.14 -0.36 -0.69 0.00 0.00 174.62 172.88 2chb s PHE 42 N -2.28 2.33 0.27 4.92 0.08 -0.97 0.17 117.98 122.51 2chb s PHE 42 Ca -0.05 -0.42 -0.02 0.00 0.12 0.00 0.00 56.93 56.56 2chb s PHE 42 Cb -0.04 -1.19 0.60 0.00 -0.57 0.00 0.00 43.02 41.83 2chb s PHE 42 CO -0.03 0.64 1.64 -0.22 -0.10 0.00 0.00 175.22 177.15 2chb h LYS 43 N 2.15 0.15 0.00 0.44 3.64 -1.91 0.19 116.57 121.23 2chb h LYS 43 Ca -0.41 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2chb h LYS 43 Cb 1.25 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2chb h LYS 43 CO 0.65 0.10 0.00 0.27 -2.27 0.00 0.00 179.45 178.20 2chb n ASN 44 N -5.29 0.00 0.00 4.20 2.04 -1.26 -4.86 115.26 110.09 2chb n ASN 44 Ca 0.18 -0.14 0.00 0.00 -0.44 0.00 0.00 54.58 54.18 2chb n ASN 44 Cb 0.60 -0.16 0.00 0.00 -2.53 0.00 0.00 39.78 37.70 2chb n ASN 44 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2chb n GLY 45 N -0.14 2.24 3.68 4.83 0.00 0.05 -5.05 105.19 110.80 2chb n GLY 45 Ca 0.08 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.85 0.79 -2.90 4.61 0.00 -1.26 -4.72 120.51 115.18 2chb n ALA 46 Ca 0.00 0.34 -0.33 0.00 0.00 0.00 0.00 53.44 53.45 2chb n ALA 46 Cb 0.00 -2.41 -0.13 0.00 0.00 0.00 0.00 19.45 16.90 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 3.09 3.33 0.08 0.00 2.01 -1.26 -2.29 115.64 120.60 2chb s THR 47 Ca 0.90 -0.58 0.04 0.00 0.31 0.00 0.00 61.69 62.36 2chb s THR 47 Cb -0.74 -2.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.34 2chb s THR 47 CO 0.50 0.54 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.49 2chb s PHE 48 N 0.06 1.05 0.21 4.92 0.08 -0.53 -3.70 117.98 120.07 2chb s PHE 48 Ca -0.04 -0.57 0.08 0.00 0.12 0.00 0.00 56.93 56.53 2chb s PHE 48 Cb -0.14 -0.58 -0.05 0.00 -0.57 0.00 0.00 43.02 41.68 2chb s PHE 48 CO 0.04 0.01 -0.15 1.14 -0.10 0.00 0.00 175.22 176.15 2chb s GLN 49 N -2.28 1.37 -0.30 0.44 -2.07 -0.18 -0.94 119.66 115.70 2chb s GLN 49 Ca 0.01 -1.60 -0.06 0.00 -1.82 0.00 0.00 55.36 51.89 2chb s GLN 49 Cb -0.06 -1.22 0.02 0.00 -1.09 0.00 0.00 33.01 30.66 2chb s GLN 49 CO 0.01 0.21 0.06 0.08 -1.32 0.00 0.00 175.29 174.33 2chb s VAL 50 N -2.85 3.74 0.71 3.63 1.01 -0.44 -0.72 120.40 125.48 2chb s VAL 50 Ca 0.23 -0.84 -0.16 0.00 0.00 0.00 0.00 61.98 61.21 2chb s VAL 50 Cb -0.02 -2.97 0.02 0.00 0.00 0.00 0.00 36.38 33.42 2chb s VAL 50 CO 0.08 0.05 1.22 -0.62 0.00 0.00 0.00 175.10 175.83 2chb n GLU 51 N 4.82 0.73 -2.03 2.72 1.02 -1.26 -3.61 120.64 123.03 2chb n GLU 51 Ca -0.14 0.31 -0.41 0.00 -0.02 0.00 0.00 57.16 56.90 2chb n GLU 51 Cb 0.47 -2.46 -0.02 0.00 -0.02 0.00 0.00 31.44 29.40 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 -1.68 2.72 -0.05 2.62 1.01 -1.26 -4.88 120.40 118.88 2chb s VAL 52 Ca 0.79 0.60 -0.29 0.00 0.00 0.00 0.00 61.98 63.07 2chb s VAL 52 Cb -0.35 -3.38 -0.07 0.00 0.00 0.00 0.00 36.38 32.58 2chb s VAL 52 CO 0.45 0.09 1.93 -2.84 0.00 0.00 0.00 175.10 174.73 2chb s PRO 53 N -0.25 3.92 0.00 2.72 0.02 -1.26 -4.94 135.00 135.21 2chb s PRO 53 Ca 0.60 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.97 2chb s PRO 53 Cb -0.41 -4.16 0.00 0.00 0.02 0.00 0.00 34.50 29.94 2chb s PRO 53 CO 0.42 -1.19 0.00 0.41 -0.33 0.00 0.00 177.00 176.31 2chb n GLY 54 N 4.72 4.46 0.20 0.52 0.00 -1.26 -5.04 105.19 108.79 2chb n GLY 54 Ca 0.21 -1.78 0.14 0.00 0.00 0.00 0.00 46.02 44.59 2chb n GLY 54 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2chb h SER 55 N 0.00 0.00 1.14 1.61 0.02 -2.03 -1.67 113.55 112.63 2chb h SER 55 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2chb h SER 55 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2chb h SER 55 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 2chb n GLN 56 N -2.45 0.15 -3.57 3.45 0.00 -1.26 -4.79 117.38 108.90 2chb n GLN 56 Ca -0.02 0.18 -0.37 0.00 0.00 0.00 0.00 57.00 56.79 2chb n GLN 56 Cb 0.06 -1.69 -0.06 0.00 0.00 0.00 0.00 30.24 28.54 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 -3.09 3.63 0.44 2.61 3.76 -0.63 -5.09 115.29 116.92 2chb s HIS 57 Ca 0.10 0.81 -0.03 0.00 -0.15 0.00 0.00 55.06 55.79 2chb s HIS 57 Cb 0.14 -2.25 -0.03 0.00 1.11 0.00 0.00 32.58 31.54 2chb s HIS 57 CO 0.52 0.54 0.70 0.96 -0.85 0.00 0.00 174.74 176.61 2chb s ILE 58 N -0.61 4.90 0.32 0.60 -4.36 -1.26 -4.94 121.20 115.85 2chb s ILE 58 Ca 0.21 -0.06 0.09 0.00 -0.26 0.00 0.00 60.65 60.62 2chb s ILE 58 Cb -0.15 -3.84 0.31 0.00 1.25 0.00 0.00 42.46 40.04 2chb s ILE 58 CO 0.09 -0.72 1.70 0.44 0.24 0.00 0.00 174.94 176.69 2chb h ASP 59 N 0.40 0.52 0.27 4.36 3.32 -1.98 -1.13 116.42 122.17 2chb h ASP 59 Ca -0.48 0.16 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 2chb h ASP 59 Cb 1.21 0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.86 2chb h ASP 59 CO 0.61 0.00 -0.04 0.77 -1.72 0.00 0.00 179.24 178.86 2chb h SER 60 N 0.45 0.00 0.03 6.45 4.64 -2.05 -2.80 113.55 120.28 2chb h SER 60 Ca 0.65 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.97 2chb h SER 60 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2chb h SER 60 CO -0.53 0.04 -0.15 0.00 -0.87 0.00 0.00 176.83 175.32 2chb n GLN 61 N -3.41 1.58 -0.12 4.77 10.64 -0.43 -4.25 117.38 126.17 2chb n GLN 61 Ca -0.02 -1.14 -0.09 0.00 -1.83 0.00 0.00 57.00 53.92 2chb n GLN 61 Cb 0.16 -1.48 -0.01 0.00 -0.86 0.00 0.00 30.24 28.05 2chb n GLN 61 CO 0.00 0.00 0.00 0.87 -1.83 0.00 0.00 177.06 176.10 2chb h LYS 62 N 2.78 0.51 -0.31 2.61 1.79 -1.59 0.32 116.57 122.68 2chb h LYS 62 Ca 0.00 -0.07 -0.12 0.00 -2.18 0.00 0.00 60.65 58.28 2chb h LYS 62 Cb 0.69 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.23 2chb h LYS 62 CO 0.00 0.46 -0.29 0.87 -1.08 0.00 0.00 179.45 179.41 2chb h LYS 63 N 0.44 0.65 -0.26 3.15 1.79 -1.78 -2.58 116.57 117.98 2chb h LYS 63 Ca 0.12 -0.28 -0.07 0.00 -2.18 0.00 0.00 60.65 58.24 2chb h LYS 63 Cb 0.11 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 2chb h LYS 63 CO -0.02 0.87 -0.14 0.00 -1.08 0.00 0.00 179.45 179.08 2chb h ALA 64 N 1.12 1.27 -0.46 3.86 0.00 -1.56 0.80 119.26 124.29 2chb h ALA 64 Ca 0.07 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 2chb h ALA 64 Cb 0.79 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2chb h ALA 64 CO 0.06 0.48 -0.10 0.82 0.00 0.00 0.00 179.25 180.52 2chb h ILE 65 N 0.41 1.27 -0.46 0.00 2.04 -0.16 -0.91 117.51 119.70 2chb h ILE 65 Ca 0.08 -1.21 -0.07 0.00 1.00 0.00 0.00 64.86 64.65 2chb h ILE 65 Cb 0.50 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 2chb h ILE 65 CO 0.03 0.42 0.00 -0.33 0.00 0.00 0.00 178.15 178.27 2chb h GLU 66 N 0.71 0.82 -0.69 2.37 4.39 -0.99 -2.59 114.58 118.60 2chb h GLU 66 Ca 0.12 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.52 2chb h GLU 66 Cb 0.64 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 2chb h GLU 66 CO 0.04 0.87 0.30 -0.09 -1.16 0.00 0.00 179.01 178.98 2chb h ARG 67 N 0.67 1.00 -0.29 2.33 2.43 -0.66 -2.67 114.38 117.19 2chb h ARG 67 Ca 0.13 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2chb h ARG 67 Cb 0.50 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 2chb h ARG 67 CO 0.02 0.80 0.16 1.98 -1.51 0.00 0.00 179.97 181.42 2chb h MET 68 N 0.99 0.40 -0.99 0.20 4.05 -0.79 0.29 114.93 119.09 2chb h MET 68 Ca 0.24 -0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.66 2chb h MET 68 Cb 0.15 -0.08 -0.06 0.00 -0.80 0.00 0.00 31.60 30.81 2chb h MET 68 CO -0.03 0.34 0.65 0.87 0.23 0.00 0.00 176.91 178.97 2chb h LYS 69 N 0.35 1.19 -0.44 0.39 1.57 -1.36 0.17 116.57 118.45 2chb h LYS 69 Ca 0.10 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 2chb h LYS 69 Cb 0.05 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 2chb h LYS 69 CO -0.02 0.79 0.17 -0.44 -0.57 0.00 0.00 179.45 179.38 2chb h ASP 70 N 1.23 0.61 -0.55 0.86 3.32 -1.02 -2.03 116.42 118.83 2chb h ASP 70 Ca 0.40 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 2chb h ASP 70 Cb 0.04 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 2chb h ASP 70 CO -0.13 0.62 0.27 0.74 -1.72 0.00 0.00 179.24 179.01 2chb h THR 71 N 0.56 1.20 -0.50 0.35 2.02 -0.30 -2.81 112.91 113.43 2chb h THR 71 Ca 0.14 -0.56 -0.09 0.00 0.77 0.00 0.00 66.41 66.68 2chb h THR 71 Cb 0.21 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 2chb h THR 71 CO -0.01 0.22 -0.03 -0.07 0.37 0.00 0.00 175.52 176.00 2chb h LEU 72 N 0.73 0.84 0.27 2.58 3.38 -0.87 -0.96 115.31 121.29 2chb h LEU 72 Ca 0.19 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2chb h LEU 72 Cb 0.11 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2chb h LEU 72 CO -0.02 0.92 -0.13 -0.09 0.09 0.00 0.00 178.44 179.21 2chb h ARG 73 N 0.80 -0.36 -0.14 1.13 2.43 -1.26 -1.07 114.38 115.90 2chb h ARG 73 Ca 0.15 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.23 2chb h ARG 73 Cb 0.52 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 2chb h ARG 73 CO 0.03 -0.14 -0.41 -0.84 -1.51 0.00 0.00 179.97 177.09 2chb h ILE 74 N -0.51 1.31 -0.82 1.20 -0.00 -1.46 -0.63 117.51 116.60 2chb h ILE 74 Ca -0.04 -1.54 0.05 0.00 -0.00 0.00 0.00 64.86 63.33 2chb h ILE 74 Cb 0.38 1.65 -0.06 0.00 -0.00 0.00 0.00 36.82 38.79 2chb h ILE 74 CO 0.06 0.47 0.51 0.00 -0.00 0.00 0.00 178.15 179.19 2chb h ALA 75 N 1.30 1.12 0.36 0.16 0.00 -1.12 0.17 119.26 121.25 2chb h ALA 75 Ca 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2chb h ALA 75 Cb 0.84 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2chb h ALA 75 CO 0.07 0.27 -0.17 -0.92 0.00 0.00 0.00 179.25 178.50 2chb h TYR 76 N 0.95 -0.45 -0.27 0.00 3.20 -0.71 -0.43 116.97 119.26 2chb h TYR 76 Ca 0.35 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.27 2chb h TYR 76 Cb 0.12 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 2chb h TYR 76 CO -0.03 -0.12 0.19 -0.07 -1.64 0.00 0.00 178.16 176.48 2chb h LEU 77 N -0.84 0.10 -1.78 2.82 4.07 -0.94 -1.36 115.31 117.37 2chb h LEU 77 Ca -0.05 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.91 2chb h LEU 77 Cb 0.53 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.25 2chb h LEU 77 CO 0.08 0.06 0.00 0.35 -1.08 0.00 0.00 178.44 177.86 2chb n THR 78 N -4.48 0.11 -3.61 0.22 -2.24 0.57 -4.96 114.28 99.88 2chb n THR 78 Ca 0.03 -0.49 -0.26 0.00 -2.27 0.00 0.00 64.05 61.05 2chb n THR 78 Cb 0.27 1.15 0.04 0.00 -2.10 0.00 0.00 70.33 69.69 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 1.10 -6.06 -2.44 -0.78 1.02 -0.51 -4.94 120.64 108.03 2chb n GLU 79 Ca 0.16 0.72 -0.39 0.00 -0.02 0.00 0.00 57.16 57.62 2chb n GLU 79 Cb 0.54 -5.65 -0.04 0.00 -0.02 0.00 0.00 31.44 26.28 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 -3.25 3.32 -0.13 0.62 0.00 -0.29 -4.81 121.76 117.22 2chb s ALA 80 Ca 0.56 0.89 -0.26 0.00 0.00 0.00 0.00 51.96 53.15 2chb s ALA 80 Cb -0.27 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.50 2chb s ALA 80 CO 0.69 -0.25 0.84 0.15 0.00 0.00 0.00 175.76 177.19 2chb s LYS 81 N -1.78 4.36 -0.09 0.00 3.01 -1.26 -4.21 119.74 119.77 2chb s LYS 81 Ca 0.49 1.06 -0.15 0.00 -1.01 0.00 0.00 55.97 56.36 2chb s LYS 81 Cb -0.30 -3.54 -0.05 0.00 -1.01 0.00 0.00 37.83 32.93 2chb s LYS 81 CO 0.39 -0.23 0.37 0.14 0.51 0.00 0.00 175.35 176.54 2chb s VAL 82 N 1.77 5.18 -0.05 3.17 -7.23 -0.06 -3.38 120.40 119.82 2chb s VAL 82 Ca 0.40 0.74 -0.01 0.00 -1.81 0.00 0.00 61.98 61.30 2chb s VAL 82 Cb -0.17 -3.69 -0.00 0.00 0.56 0.00 0.00 36.38 33.07 2chb s VAL 82 CO 0.15 0.46 -0.02 -0.08 -0.31 0.00 0.00 175.10 175.31 2chb h GLU 83 N 5.83 0.00 -4.99 4.82 4.81 -0.17 -1.44 114.58 123.45 2chb h GLU 83 Ca -0.46 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.46 2chb h GLU 83 Cb 1.19 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.43 2chb h GLU 83 CO 0.69 0.00 -0.70 0.15 -0.73 0.00 0.00 179.01 178.42 2chb s LYS 84 N -1.30 1.06 -0.04 1.92 1.02 -1.08 -1.18 119.74 120.15 2chb s LYS 84 Ca -0.01 -1.46 0.02 0.00 0.02 0.00 0.00 55.97 54.53 2chb s LYS 84 Cb 0.00 -0.53 0.01 0.00 -0.52 0.00 0.00 37.83 36.79 2chb s LYS 84 CO 0.02 0.03 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.90 2chb s LEU 85 N -3.16 1.56 -0.23 3.17 1.43 -0.61 -1.26 118.68 119.58 2chb s LEU 85 Ca 0.18 -0.17 -0.08 0.00 -1.03 0.00 0.00 54.13 53.02 2chb s LEU 85 Cb 0.04 -0.53 -0.04 0.00 0.03 0.00 0.00 46.19 45.69 2chb s LEU 85 CO 0.01 0.00 0.09 0.00 0.23 0.00 0.00 176.35 176.68 2chb s VAL 87 N 1.25 0.84 -0.14 0.00 -7.23 -0.57 -0.45 120.40 114.09 2chb s VAL 87 Ca 0.05 -1.19 -0.29 0.00 -1.81 0.00 0.00 61.98 58.74 2chb s VAL 87 Cb -0.14 -0.85 -0.01 0.00 0.56 0.00 0.00 36.38 35.94 2chb s VAL 87 CO 0.04 -0.29 0.99 0.26 -0.31 0.00 0.00 175.10 175.79 2chb s TRP 88 N -1.31 3.47 -2.35 2.82 0.51 0.01 -1.21 118.94 120.87 2chb s TRP 88 Ca -0.06 1.52 0.22 0.00 -2.12 0.00 0.00 56.10 55.67 2chb s TRP 88 Cb -0.10 -3.18 0.71 0.00 -0.81 0.00 0.00 33.47 30.10 2chb s TRP 88 CO 0.01 -0.27 1.54 0.27 -0.51 0.00 0.00 176.95 177.99 2chb n ASN 89 N 5.28 1.93 -1.22 2.95 0.23 0.74 -2.70 115.26 122.47 2chb n ASN 89 Ca 0.09 -1.74 0.05 0.00 -0.53 0.00 0.00 54.58 52.45 2chb n ASN 89 Cb 0.48 -0.11 0.23 0.00 -2.08 0.00 0.00 39.78 38.30 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 0.50 3.52 -4.12 0.53 6.94 -1.26 -4.87 115.26 116.49 2chb n ASN 90 Ca 0.17 -2.44 -0.11 0.00 -0.02 0.00 0.00 54.58 52.18 2chb n ASN 90 Cb 0.38 -0.55 -0.11 0.00 -2.36 0.00 0.00 39.78 37.15 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 -1.92 0.71 -0.08 -3.83 -0.14 -1.26 -5.10 119.74 108.12 2chb s LYS 91 Ca 0.32 -1.11 -0.01 0.00 -1.36 0.00 0.00 55.97 53.81 2chb s LYS 91 Cb 0.23 -0.22 0.03 0.00 -1.68 0.00 0.00 37.83 36.19 2chb s LYS 91 CO 0.12 0.00 -0.01 0.99 -0.76 0.00 0.00 175.35 175.69 2chb s THR 92 N -2.78 0.49 1.10 2.17 2.01 -1.26 -3.32 115.64 114.04 2chb s THR 92 Ca 0.03 0.04 -0.12 0.00 0.31 0.00 0.00 61.69 61.95 2chb s THR 92 Cb -0.00 -0.62 0.25 0.00 0.01 0.00 0.00 72.50 72.14 2chb s THR 92 CO -0.03 0.28 1.05 -2.84 -0.69 0.00 0.00 174.62 172.39 2chb s PRO 93 N 1.88 -0.41 0.29 4.92 0.02 -1.26 -5.05 135.00 135.39 2chb s PRO 93 Ca 0.04 0.89 -0.30 0.00 0.02 0.00 0.00 61.00 61.66 2chb s PRO 93 Cb -0.12 -1.61 -0.11 0.00 0.02 0.00 0.00 34.50 32.68 2chb s PRO 93 CO -0.05 -3.40 1.47 -1.01 -0.33 0.00 0.00 177.00 173.68 2chb s HIS 94 N -2.57 2.89 -0.11 6.54 3.76 -1.21 -4.59 115.29 120.00 2chb s HIS 94 Ca 0.68 1.04 -0.18 0.00 -0.15 0.00 0.00 55.06 56.44 2chb s HIS 94 Cb -0.24 -3.89 -0.04 0.00 1.11 0.00 0.00 32.58 29.52 2chb s HIS 94 CO 0.62 -2.84 0.47 0.00 -0.85 0.00 0.00 174.74 172.15 2chb s ALA 95 N -0.31 3.49 0.06 -1.40 0.00 -1.10 -1.01 121.76 121.48 2chb s ALA 95 Ca 0.58 -0.19 -0.31 0.00 0.00 0.00 0.00 51.96 52.05 2chb s ALA 95 Cb -0.44 -2.63 -0.06 0.00 0.00 0.00 0.00 23.12 19.99 2chb s ALA 95 CO 0.48 0.03 1.33 0.42 0.00 0.00 0.00 175.76 178.03 2chb s ILE 96 N 0.51 3.69 -0.20 0.00 1.01 0.11 -0.81 121.20 125.51 2chb s ILE 96 Ca 0.26 1.17 -0.01 0.00 0.00 0.00 0.00 60.65 62.06 2chb s ILE 96 Cb -0.15 -3.75 -0.12 0.00 0.01 0.00 0.00 42.46 38.45 2chb s ILE 96 CO 0.11 0.06 -0.19 0.00 0.00 0.00 0.00 174.94 174.91 2chb n ALA 97 N 4.45 1.60 -3.07 9.38 0.00 0.40 -4.84 120.51 128.42 2chb n ALA 97 Ca 0.11 -0.83 -0.10 0.00 0.00 0.00 0.00 53.44 52.62 2chb n ALA 97 Cb 0.44 0.09 -0.05 0.00 0.00 0.00 0.00 19.45 19.93 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 -2.39 -0.59 0.01 0.00 0.00 -0.98 -4.98 121.76 112.82 2chb s ALA 98 Ca -0.27 -0.45 -0.05 0.00 0.00 0.00 0.00 51.96 51.18 2chb s ALA 98 Cb 0.08 0.84 -0.00 0.00 0.00 0.00 0.00 23.12 24.03 2chb s ALA 98 CO 0.43 -0.74 0.09 -1.50 0.00 0.00 0.00 175.76 174.05 2chb s ILE 99 N -3.90 0.09 -0.02 0.00 2.07 -1.26 -1.81 121.20 116.36 2chb s ILE 99 Ca 0.12 -0.74 0.01 0.00 -1.41 0.00 0.00 60.65 58.63 2chb s ILE 99 Cb 0.01 -0.38 0.01 0.00 0.13 0.00 0.00 42.46 42.23 2chb s ILE 99 CO -0.02 -0.41 -0.04 -0.94 -1.91 0.00 0.00 174.94 171.62 2chb s SER 100 N -1.38 0.74 -0.05 4.50 1.04 -0.39 -5.00 113.70 113.16 2chb s SER 100 Ca -0.15 -0.10 0.05 0.00 0.48 0.00 0.00 55.95 56.23 2chb s SER 100 Cb -0.08 -0.25 -0.01 0.00 0.10 0.00 0.00 66.02 65.78 2chb s SER 100 CO 0.01 -0.00 -0.20 -0.04 0.98 0.00 0.00 173.24 173.98 2chb s MET 101 N 0.45 2.07 0.01 4.02 1.00 -1.26 0.57 119.30 126.17 2chb s MET 101 Ca -0.05 -0.73 0.01 0.00 0.00 0.00 0.00 55.69 54.92 2chb s MET 101 Cb -0.09 -1.79 -0.01 0.00 0.00 0.00 0.00 34.83 32.94 2chb s MET 101 CO -0.00 0.30 -0.05 0.00 0.00 0.00 0.00 175.02 175.27 2chb s ALA 102 N -0.06 0.37 0.00 3.03 0.00 -1.22 -4.82 121.76 119.06 2chb s ALA 102 Ca -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.59 2chb s ALA 102 Cb -0.12 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 22.96 2chb s ALA 102 CO 0.03 0.04 0.00 0.09 0.00 0.00 0.00 175.76 175.92