#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 2.64 -0.00 -2.82 0.04 -1.26 -4.96 135.00 128.64 2chb s PRO 2 Ca 0.00 1.60 0.18 0.00 0.04 0.00 0.00 61.00 62.82 2chb s PRO 2 Cb 0.00 -1.91 -0.21 0.00 0.04 0.00 0.00 34.50 32.42 2chb s PRO 2 CO 0.00 -1.41 0.74 1.04 0.04 0.00 0.00 177.00 177.40 2chb n GLN 3 N -2.30 0.92 -4.00 4.56 6.02 -1.26 -4.95 117.38 116.36 2chb n GLN 3 Ca 0.12 -0.02 -0.11 0.00 -0.01 0.00 0.00 57.00 56.98 2chb n GLN 3 Cb 0.51 -1.37 -0.04 0.00 1.02 0.00 0.00 30.24 30.36 2chb n GLN 3 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2chb s ASN 4 N -2.89 0.30 0.23 1.08 2.20 -1.26 -5.07 114.94 109.53 2chb s ASN 4 Ca 0.05 -1.17 -0.03 0.00 -0.94 0.00 0.00 52.86 50.77 2chb s ASN 4 Cb 0.14 0.66 0.24 0.00 -2.00 0.00 0.00 41.25 40.29 2chb s ASN 4 CO 0.75 -1.29 1.68 -0.29 -2.94 0.00 0.00 177.10 175.01 2chb h ILE 5 N 2.16 1.26 -0.14 0.54 2.10 -1.95 -2.26 117.51 119.22 2chb h ILE 5 Ca -0.28 -1.22 0.04 0.00 1.08 0.00 0.00 64.86 64.47 2chb h ILE 5 Cb 1.25 1.11 -0.04 0.00 -1.09 0.00 0.00 36.82 38.04 2chb h ILE 5 CO 0.37 0.41 -0.09 0.74 -1.08 0.00 0.00 178.15 178.51 2chb h THR 6 N 0.69 0.73 -0.30 2.19 2.02 -1.98 0.14 112.91 116.40 2chb h THR 6 Ca 0.11 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.17 2chb h THR 6 Cb 0.64 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 2chb h THR 6 CO 0.04 0.00 -0.32 0.44 0.37 0.00 0.00 175.52 176.06 2chb h ASP 7 N -0.08 0.66 -0.54 4.18 3.32 -1.97 -2.05 116.42 119.93 2chb h ASP 7 Ca 0.08 -0.26 -0.11 0.00 0.02 0.00 0.00 57.03 56.77 2chb h ASP 7 Cb 0.21 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2chb h ASP 7 CO -0.19 0.93 -0.08 0.25 -1.72 0.00 0.00 179.24 178.43 2chb h LEU 8 N 0.54 1.01 -1.02 1.55 6.46 -1.01 -2.74 115.31 120.10 2chb h LEU 8 Ca 0.06 -0.34 -0.05 0.00 -0.12 0.00 0.00 57.88 57.43 2chb h LEU 8 Cb 0.81 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.44 2chb h LEU 8 CO 0.07 1.11 0.11 0.00 -0.62 0.00 0.00 178.44 179.10 2chb n ALA 10 N -2.46 1.44 1.23 0.00 0.00 -0.78 -2.35 120.51 117.58 2chb n ALA 10 Ca 0.04 -0.03 0.06 0.00 0.00 0.00 0.00 53.44 53.51 2chb n ALA 10 Cb 0.24 -1.16 0.21 0.00 0.00 0.00 0.00 19.45 18.74 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 -1.52 1.59 -4.17 0.00 1.02 -0.85 -4.86 120.64 111.85 2chb n GLU 11 Ca 0.02 -0.92 -0.18 0.00 -0.02 0.00 0.00 57.16 56.07 2chb n GLU 11 Cb 0.11 -1.26 -0.12 0.00 -0.02 0.00 0.00 31.44 30.16 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 -1.70 1.12 0.42 -0.32 1.51 -0.99 -5.14 117.35 112.24 2chb s TYR 12 Ca 0.22 -0.45 -0.12 0.00 -1.01 0.00 0.00 57.07 55.71 2chb s TYR 12 Cb 0.11 -0.64 -0.07 0.00 -0.11 0.00 0.00 41.96 41.26 2chb s TYR 12 CO 0.16 0.03 0.80 -1.01 -1.11 0.00 0.00 175.55 174.43 2chb s HIS 13 N -1.25 3.46 -1.92 2.71 3.76 -1.26 -3.99 115.29 116.81 2chb s HIS 13 Ca -0.03 1.11 0.00 0.00 -0.15 0.00 0.00 55.06 56.00 2chb s HIS 13 Cb -0.10 -2.50 0.00 0.00 1.11 0.00 0.00 32.58 31.09 2chb s HIS 13 CO 0.02 -0.14 0.00 0.09 -0.85 0.00 0.00 174.74 173.86 2chb n ASN 14 N -1.32 -5.41 -4.29 1.40 4.13 -1.26 -4.94 115.26 103.57 2chb n ASN 14 Ca 0.03 0.30 -0.33 0.00 1.68 0.00 0.00 54.58 56.26 2chb n ASN 14 Cb 0.54 -4.56 -0.15 0.00 -1.54 0.00 0.00 39.78 34.07 2chb n ASN 14 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2chb s THR 15 N -2.81 2.73 0.18 3.41 2.01 -1.26 0.28 115.64 120.19 2chb s THR 15 Ca 0.00 -0.75 0.09 0.00 0.31 0.00 0.00 61.69 61.34 2chb s THR 15 Cb 0.00 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 2chb s THR 15 CO 0.00 0.52 -0.12 -1.58 -0.69 0.00 0.00 174.62 172.74 2chb s GLN 16 N 0.70 1.96 -0.03 4.92 0.74 0.92 -4.91 119.66 123.97 2chb s GLN 16 Ca -0.07 -1.30 0.02 0.00 0.05 0.00 0.00 55.36 54.05 2chb s GLN 16 Cb -0.16 -2.11 -0.03 0.00 1.10 0.00 0.00 33.01 31.81 2chb s GLN 16 CO 0.02 0.43 -0.04 -1.50 -0.55 0.00 0.00 175.29 173.64 2chb s ILE 17 N -1.67 3.86 -0.11 -2.34 1.10 -1.26 0.06 121.20 120.84 2chb s ILE 17 Ca 0.24 -0.59 -0.01 0.00 -0.51 0.00 0.00 60.65 59.78 2chb s ILE 17 Cb -0.09 -2.65 0.03 0.00 0.15 0.00 0.00 42.46 39.90 2chb s ILE 17 CO 0.14 0.47 -0.04 -1.00 -2.11 0.00 0.00 174.94 172.40 2chb s HIS 18 N -0.95 1.20 -0.40 3.50 3.76 0.28 -4.93 115.29 117.74 2chb s HIS 18 Ca 0.16 -0.59 -0.19 0.00 -0.15 0.00 0.00 55.06 54.29 2chb s HIS 18 Cb -0.11 -1.08 0.01 0.00 1.11 0.00 0.00 32.58 32.51 2chb s HIS 18 CO 0.06 -0.47 0.53 0.99 -0.85 0.00 0.00 174.74 175.00 2chb s THR 19 N 1.80 4.97 -0.23 1.30 2.01 -1.26 -0.18 115.64 124.05 2chb s THR 19 Ca 0.04 0.03 -0.14 0.00 0.31 0.00 0.00 61.69 61.93 2chb s THR 19 Cb -0.13 -4.07 -0.09 0.00 0.01 0.00 0.00 72.50 68.21 2chb s THR 19 CO -0.07 -0.42 -0.32 0.18 -0.69 0.00 0.00 174.62 173.29 2chb n LEU 20 N 5.88 1.80 -3.85 4.42 7.99 0.14 -4.99 117.00 128.39 2chb n LEU 20 Ca -0.04 0.31 -0.28 0.00 -0.01 0.00 0.00 56.01 55.98 2chb n LEU 20 Cb 0.48 -0.73 0.03 0.00 -0.11 0.00 0.00 43.42 43.09 2chb n LEU 20 CO 0.48 0.30 0.10 0.59 -1.51 0.00 0.00 177.39 177.36 2chb n ASN 21 N -4.19 -4.50 -3.86 -1.43 3.02 0.21 -4.96 115.26 99.55 2chb n ASN 21 Ca -0.40 -0.76 -0.09 0.00 -0.03 0.00 0.00 54.58 53.30 2chb n ASN 21 Cb 0.75 -4.04 -0.07 0.00 -0.61 0.00 0.00 39.78 35.80 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 -3.46 0.12 0.60 6.41 -1.08 -1.08 -4.86 116.67 113.32 2chb s ASP 22 Ca 0.57 -0.63 -0.13 0.00 -0.52 0.00 0.00 52.55 51.83 2chb s ASP 22 Cb -0.28 0.33 -0.04 0.00 -1.46 0.00 0.00 42.92 41.47 2chb s ASP 22 CO 0.82 -0.71 1.02 -1.59 0.52 0.00 0.00 175.17 175.23 2chb s LYS 23 N -3.76 3.58 0.26 4.34 -2.85 -1.26 -1.36 119.74 118.69 2chb s LYS 23 Ca 0.04 0.85 -0.30 0.00 -1.00 0.00 0.00 55.97 55.57 2chb s LYS 23 Cb 0.04 -2.08 -0.10 0.00 -2.06 0.00 0.00 37.83 33.64 2chb s LYS 23 CO -0.10 -0.58 1.39 0.42 0.10 0.00 0.00 175.35 176.57 2chb s ILE 24 N -2.99 2.77 -0.09 3.79 1.01 -1.26 -4.73 121.20 119.70 2chb s ILE 24 Ca 0.57 0.67 -0.20 0.00 0.00 0.00 0.00 60.65 61.68 2chb s ILE 24 Cb -0.11 -3.43 -0.28 0.00 0.01 0.00 0.00 42.46 38.65 2chb s ILE 24 CO 0.48 0.12 0.70 0.15 0.00 0.00 0.00 174.94 176.39 2chb h PHE 25 N 4.75 0.41 -3.92 3.97 3.57 -0.77 -3.48 116.94 121.47 2chb h PHE 25 Ca -0.46 -0.30 -0.28 0.00 3.53 0.00 0.00 57.97 60.46 2chb h PHE 25 Cb 1.22 -0.02 -0.20 0.00 2.79 0.00 0.00 35.95 39.74 2chb h PHE 25 CO 0.60 1.38 -0.73 -1.12 -2.23 0.00 0.00 178.31 176.20 2chb s SER 26 N -6.90 1.02 -0.07 0.41 0.01 -1.15 -4.97 113.70 102.05 2chb s SER 26 Ca -0.18 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 56.44 2chb s SER 26 Cb 0.02 0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.31 2chb s SER 26 CO 0.77 -0.24 -0.05 -0.47 0.41 0.00 0.00 173.24 173.66 2chb s TYR 27 N -1.81 1.01 -0.05 2.43 5.04 -1.26 -2.22 117.35 120.48 2chb s TYR 27 Ca -0.05 -0.38 0.06 0.00 -2.44 0.00 0.00 57.07 54.26 2chb s TYR 27 Cb -0.07 -0.90 -0.01 0.00 0.35 0.00 0.00 41.96 41.33 2chb s TYR 27 CO -0.00 -0.32 -0.22 0.99 -1.34 0.00 0.00 175.55 174.65 2chb s THR 28 N 1.37 1.84 -0.02 4.34 2.01 0.11 -4.97 115.64 120.32 2chb s THR 28 Ca -0.03 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 61.04 2chb s THR 28 Cb -0.13 -1.56 0.00 0.00 0.01 0.00 0.00 72.50 70.82 2chb s THR 28 CO -0.03 0.52 -0.07 -0.70 -0.69 0.00 0.00 174.62 173.64 2chb s GLU 29 N -0.11 0.74 -0.02 4.92 2.12 -1.26 -0.40 118.70 124.68 2chb s GLU 29 Ca -0.03 -0.25 0.04 0.00 0.36 0.00 0.00 54.97 55.09 2chb s GLU 29 Cb -0.13 -0.71 -0.01 0.00 0.26 0.00 0.00 34.13 33.54 2chb s GLU 29 CO 0.03 0.10 -0.14 0.45 -0.54 0.00 0.00 175.26 175.16 2chb s SER 30 N 0.12 1.75 0.00 -1.70 0.15 -0.23 -5.00 113.70 108.79 2chb s SER 30 Ca -0.01 -0.28 0.11 0.00 0.70 0.00 0.00 55.95 56.47 2chb s SER 30 Cb -0.07 -0.34 0.16 0.00 -1.71 0.00 0.00 66.02 64.06 2chb s SER 30 CO 0.00 0.15 0.98 0.00 1.20 0.00 0.00 173.24 175.57 2chb n LEU 31 N 2.96 2.26 -4.76 3.45 -0.00 -1.26 -3.12 117.00 116.52 2chb n LEU 31 Ca -0.16 -1.32 -0.41 0.00 -0.00 0.00 0.00 56.01 54.11 2chb n LEU 31 Cb 0.54 -0.08 -0.01 0.00 -0.00 0.00 0.00 43.42 43.88 2chb n LEU 31 CO 0.25 0.49 1.17 0.00 -0.00 0.00 0.00 177.39 179.29 2chb s ALA 32 N -0.95 3.64 0.24 1.47 0.00 -1.26 -4.84 121.76 120.06 2chb s ALA 32 Ca 0.16 1.54 -0.31 0.00 0.00 0.00 0.00 51.96 53.35 2chb s ALA 32 Cb 0.10 -3.61 -0.13 0.00 0.00 0.00 0.00 23.12 19.48 2chb s ALA 32 CO 0.15 -0.98 1.57 0.41 0.00 0.00 0.00 175.76 176.90 2chb n GLY 33 N 1.30 1.19 3.21 0.00 0.00 -1.26 -1.13 105.19 108.50 2chb n GLY 33 Ca 0.04 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 2.70 0.00 -2.68 1.61 4.76 -1.26 -4.83 118.16 118.46 2chb n LYS 34 Ca 0.12 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.49 2chb n LYS 34 Cb 0.34 -2.78 0.04 0.00 -1.84 0.00 0.00 35.03 30.78 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 -2.00 1.75 -2.84 1.97 3.00 -0.29 -4.99 116.66 113.26 2chb n ARG 35 Ca 0.00 -3.52 -0.43 0.00 -0.01 0.00 0.00 57.85 53.88 2chb n ARG 35 Cb 0.00 -1.55 -0.02 0.00 0.00 0.00 0.00 32.46 30.89 2chb n ARG 35 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2chb s GLU 36 N -3.49 3.71 0.34 5.56 8.01 -1.18 -4.22 118.70 127.43 2chb s GLU 36 Ca 0.30 -1.81 -0.02 0.00 0.01 0.00 0.00 54.97 53.45 2chb s GLU 36 Cb 0.39 -5.06 0.00 0.00 -4.31 0.00 0.00 34.13 25.15 2chb s GLU 36 CO -0.01 -1.88 0.47 0.00 0.01 0.00 0.00 175.26 173.84 2chb s MET 37 N 2.99 1.89 0.04 1.61 0.23 -1.18 -4.31 119.30 120.58 2chb s MET 37 Ca 0.38 -1.75 0.04 0.00 -1.03 0.00 0.00 55.69 53.33 2chb s MET 37 Cb -0.03 0.44 -0.02 0.00 -1.53 0.00 0.00 34.83 33.69 2chb s MET 37 CO -0.07 -0.78 -0.11 0.00 -2.03 0.00 0.00 175.02 172.03 2chb s ALA 38 N -3.10 0.88 -0.02 3.16 0.00 -1.23 -1.07 121.76 120.38 2chb s ALA 38 Ca 0.31 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.53 2chb s ALA 38 Cb -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.04 2chb s ALA 38 CO 0.20 0.12 -0.06 0.42 0.00 0.00 0.00 175.76 176.44 2chb s ILE 39 N -0.99 0.54 0.12 0.00 1.01 0.46 -1.57 121.20 120.77 2chb s ILE 39 Ca -0.03 -0.23 0.09 0.00 0.00 0.00 0.00 60.65 60.48 2chb s ILE 39 Cb -0.08 -0.50 -0.04 0.00 0.01 0.00 0.00 42.46 41.85 2chb s ILE 39 CO 0.01 0.18 -0.22 0.27 0.00 0.00 0.00 174.94 175.18 2chb s ILE 40 N 0.23 1.87 0.08 2.92 -4.36 0.14 0.05 121.20 122.13 2chb s ILE 40 Ca -0.03 -1.66 0.03 0.00 -0.26 0.00 0.00 60.65 58.73 2chb s ILE 40 Cb -0.07 -1.71 -0.03 0.00 1.25 0.00 0.00 42.46 41.89 2chb s ILE 40 CO -0.00 -0.06 -0.08 0.42 0.24 0.00 0.00 174.94 175.45 2chb s THR 41 N -1.27 0.75 0.25 8.37 -4.23 -0.94 -0.83 115.64 117.73 2chb s THR 41 Ca 0.10 -1.55 0.10 0.00 -1.18 0.00 0.00 61.69 59.15 2chb s THR 41 Cb -0.09 -1.22 -0.04 0.00 1.34 0.00 0.00 72.50 72.48 2chb s THR 41 CO 0.05 -0.59 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.13 2chb s PHE 42 N -2.46 2.63 0.60 3.99 0.08 0.37 -0.02 117.98 123.17 2chb s PHE 42 Ca 0.03 -0.24 0.29 0.00 0.12 0.00 0.00 56.93 57.13 2chb s PHE 42 Cb -0.03 -1.19 1.59 0.00 -0.57 0.00 0.00 43.02 42.83 2chb s PHE 42 CO -0.01 0.61 1.99 0.87 -0.10 0.00 0.00 175.22 178.58 2chb h LYS 43 N 2.16 0.00 -0.25 0.44 6.56 -1.89 0.57 116.57 124.16 2chb h LYS 43 Ca -0.44 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.15 2chb h LYS 43 Cb 1.24 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.90 2chb h LYS 43 CO 0.59 0.00 0.00 0.27 -2.06 0.00 0.00 179.45 178.25 2chb n ASN 44 N -3.63 1.01 0.00 0.86 6.94 -1.26 -4.88 115.26 114.30 2chb n ASN 44 Ca 0.04 -2.02 0.00 0.00 -0.02 0.00 0.00 54.58 52.58 2chb n ASN 44 Cb 0.48 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 37.74 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 0.69 2.68 3.67 4.83 0.00 0.20 -4.99 105.19 112.26 2chb n GLY 45 Ca 0.06 0.00 -0.46 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 -0.23 1.26 -3.00 4.61 0.00 -1.24 -4.67 120.51 117.24 2chb n ALA 46 Ca 0.00 0.41 -0.31 0.00 0.00 0.00 0.00 53.44 53.54 2chb n ALA 46 Cb 0.00 -2.38 -0.17 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 1.61 1.99 0.05 0.00 2.01 -1.26 -0.48 115.64 119.56 2chb s THR 47 Ca 0.82 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 61.83 2chb s THR 47 Cb -0.68 -1.70 -0.03 0.00 0.01 0.00 0.00 72.50 70.10 2chb s THR 47 CO 0.41 0.55 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.46 2chb s PHE 48 N 0.11 0.69 0.30 4.92 0.08 -0.01 -3.96 117.98 120.11 2chb s PHE 48 Ca -0.11 -0.60 0.10 0.00 0.12 0.00 0.00 56.93 56.44 2chb s PHE 48 Cb -0.16 -0.41 -0.06 0.00 -0.57 0.00 0.00 43.02 41.82 2chb s PHE 48 CO 0.06 -0.11 -0.13 1.14 -0.10 0.00 0.00 175.22 176.08 2chb s GLN 49 N -2.09 1.69 -0.28 0.44 -2.07 -0.75 -0.68 119.66 115.92 2chb s GLN 49 Ca -0.06 -1.83 -0.00 0.00 -1.82 0.00 0.00 55.36 51.65 2chb s GLN 49 Cb -0.06 -1.60 0.05 0.00 -1.09 0.00 0.00 33.01 30.30 2chb s GLN 49 CO -0.01 0.19 -0.04 0.08 -1.32 0.00 0.00 175.29 174.19 2chb s VAL 50 N -2.66 2.73 0.48 3.63 1.01 -0.61 -1.21 120.40 123.77 2chb s VAL 50 Ca 0.30 -1.42 -0.22 0.00 0.00 0.00 0.00 61.98 60.65 2chb s VAL 50 Cb -0.00 -2.56 -0.10 0.00 0.00 0.00 0.00 36.38 33.72 2chb s VAL 50 CO 0.15 -0.05 0.81 -0.62 0.00 0.00 0.00 175.10 175.38 2chb n GLU 51 N 4.57 0.93 -1.99 2.72 1.02 -1.26 -3.57 120.64 123.06 2chb n GLU 51 Ca -0.14 0.34 -0.42 0.00 -0.02 0.00 0.00 57.16 56.93 2chb n GLU 51 Cb 0.43 -1.88 -0.03 0.00 -0.02 0.00 0.00 31.44 29.94 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 -1.45 2.76 -0.13 2.62 1.01 -1.26 -4.82 120.40 119.13 2chb s VAL 52 Ca 0.67 0.56 -0.30 0.00 0.00 0.00 0.00 61.98 62.90 2chb s VAL 52 Cb -0.52 -3.36 -0.08 0.00 0.00 0.00 0.00 36.38 32.42 2chb s VAL 52 CO 0.55 0.05 2.09 -0.81 0.00 0.00 0.00 175.10 176.98 2chb n PRO 53 N 3.67 2.20 -2.64 2.72 -0.04 -1.26 -4.93 135.00 134.71 2chb n PRO 53 Ca 0.12 0.72 -0.08 0.00 -0.04 0.00 0.00 63.50 64.22 2chb n PRO 53 Cb 0.39 -3.00 -0.02 0.00 -0.04 0.00 0.00 33.50 30.84 2chb n PRO 53 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2chb n GLY 54 N 5.25 4.03 0.28 0.55 0.00 -1.26 -5.05 105.19 108.98 2chb n GLY 54 Ca 0.27 -2.21 0.13 0.00 0.00 0.00 0.00 46.02 44.21 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 0.31 0.00 0.00 1.61 0.02 -2.03 -2.10 113.55 111.36 2chb h SER 55 Ca -0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2chb h SER 55 Cb 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2chb h SER 55 CO 0.16 0.07 0.00 0.00 -1.14 0.00 0.00 176.83 175.92 2chb n GLN 56 N -3.82 0.56 -4.70 3.45 0.00 -1.26 -4.65 117.38 106.95 2chb n GLN 56 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 57.00 56.64 2chb n GLN 56 Cb 0.16 -1.23 -0.13 0.00 0.00 0.00 0.00 30.24 29.04 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 -2.00 2.85 0.43 2.61 3.76 -0.79 -5.11 115.29 117.04 2chb s HIS 57 Ca 0.12 -0.35 -0.09 0.00 -0.15 0.00 0.00 55.06 54.59 2chb s HIS 57 Cb 0.06 -1.80 -0.06 0.00 1.11 0.00 0.00 32.58 31.89 2chb s HIS 57 CO 0.09 0.01 0.79 0.96 -0.85 0.00 0.00 174.74 175.74 2chb s ILE 58 N -0.09 4.81 0.30 0.60 -4.36 -1.26 -4.95 121.20 116.25 2chb s ILE 58 Ca -0.01 0.53 0.05 0.00 -0.26 0.00 0.00 60.65 60.97 2chb s ILE 58 Cb -0.14 -3.77 0.30 0.00 1.25 0.00 0.00 42.46 40.10 2chb s ILE 58 CO 0.03 -0.63 1.69 0.44 0.24 0.00 0.00 174.94 176.71 2chb h ASP 59 N 0.94 0.33 -0.04 4.36 5.19 -1.98 -0.21 116.42 125.02 2chb h ASP 59 Ca -0.47 0.16 0.01 0.00 -0.62 0.00 0.00 57.03 56.12 2chb h ASP 59 Cb 1.19 0.15 -0.00 0.00 0.18 0.00 0.00 39.33 40.85 2chb h ASP 59 CO 0.63 -0.03 0.09 0.77 -3.12 0.00 0.00 179.24 177.57 2chb h SER 60 N 0.38 0.00 1.19 6.45 4.64 -2.05 -1.85 113.55 122.31 2chb h SER 60 Ca 0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.91 2chb h SER 60 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2chb h SER 60 CO -0.55 0.00 -0.39 1.56 -0.87 0.00 0.00 176.83 176.57 2chb h GLN 61 N 0.00 0.00 0.27 4.77 4.20 -1.40 -3.38 115.11 119.56 2chb h GLN 61 Ca 0.02 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 2chb h GLN 61 Cb 0.19 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2chb h GLN 61 CO -0.00 0.00 -0.23 0.87 -0.67 0.00 0.00 178.83 178.80 2chb h LYS 62 N 0.00 -0.49 -0.19 1.46 1.79 -1.42 0.41 116.57 118.13 2chb h LYS 62 Ca 0.00 0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.47 2chb h LYS 62 Cb 0.79 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.54 2chb h LYS 62 CO 0.00 -0.33 -0.04 1.57 -1.08 0.00 0.00 179.45 179.57 2chb h LYS 63 N -0.51 0.28 -0.37 3.15 2.10 -1.77 -2.77 116.57 116.69 2chb h LYS 63 Ca -0.01 -0.05 -0.12 0.00 -2.00 0.00 0.00 60.65 58.47 2chb h LYS 63 Cb 0.46 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.73 2chb h LYS 63 CO -0.03 0.34 -0.25 0.00 -2.00 0.00 0.00 179.45 177.52 2chb h ALA 64 N 1.69 0.88 -0.53 0.07 0.00 -1.58 -2.03 119.26 117.76 2chb h ALA 64 Ca 0.06 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 2chb h ALA 64 Cb 0.26 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2chb h ALA 64 CO 0.01 0.63 0.03 0.82 0.00 0.00 0.00 179.25 180.74 2chb h ILE 65 N 0.64 1.25 -0.26 0.00 2.04 -0.65 -1.72 117.51 118.80 2chb h ILE 65 Ca 0.09 -1.00 -0.03 0.00 1.00 0.00 0.00 64.86 64.91 2chb h ILE 65 Cb 0.75 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 2chb h ILE 65 CO 0.06 0.36 0.03 -0.33 0.00 0.00 0.00 178.15 178.27 2chb h GLU 66 N 0.81 0.44 -0.82 2.37 4.39 -1.36 -2.79 114.58 117.62 2chb h GLU 66 Ca 0.16 -0.12 0.04 0.00 0.34 0.00 0.00 59.36 59.77 2chb h GLU 66 Cb 0.44 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.99 2chb h GLU 66 CO 0.02 0.57 0.52 -0.09 -1.16 0.00 0.00 179.01 178.87 2chb h ARG 67 N 0.24 0.97 -0.88 2.33 2.43 -1.21 -2.24 114.38 116.02 2chb h ARG 67 Ca 0.08 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2chb h ARG 67 Cb 0.35 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 2chb h ARG 67 CO 0.01 0.64 0.48 1.98 -1.51 0.00 0.00 179.97 181.57 2chb h MET 68 N 1.00 1.24 -0.42 0.20 4.05 -1.18 0.65 114.93 120.48 2chb h MET 68 Ca 0.33 -0.15 -0.09 0.00 -0.28 0.00 0.00 59.70 59.52 2chb h MET 68 Cb 0.04 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 30.58 2chb h MET 68 CO -0.12 0.91 -0.10 0.87 0.23 0.00 0.00 176.91 178.69 2chb h LYS 69 N 1.24 0.74 -0.71 0.39 1.57 -1.24 0.55 116.57 119.11 2chb h LYS 69 Ca 0.31 -0.24 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 2chb h LYS 69 Cb 0.03 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 2chb h LYS 69 CO -0.05 0.82 0.21 -0.44 -0.57 0.00 0.00 179.45 179.42 2chb h ASP 70 N 0.67 1.04 -0.41 0.86 3.32 -0.67 -0.84 116.42 120.39 2chb h ASP 70 Ca 0.12 -0.21 -0.08 0.00 0.02 0.00 0.00 57.03 56.88 2chb h ASP 70 Cb 0.57 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2chb h ASP 70 CO 0.04 0.98 -0.04 0.74 -1.72 0.00 0.00 179.24 179.23 2chb h THR 71 N 1.05 1.27 -0.52 0.35 2.02 -0.54 -1.81 112.91 114.72 2chb h THR 71 Ca 0.23 -1.10 -0.04 0.00 0.77 0.00 0.00 66.41 66.27 2chb h THR 71 Cb 0.32 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 2chb h THR 71 CO -0.00 0.37 0.18 -0.07 0.37 0.00 0.00 175.52 176.36 2chb h LEU 72 N 0.58 0.75 -0.13 2.58 3.38 -0.61 -0.41 115.31 121.45 2chb h LEU 72 Ca 0.11 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2chb h LEU 72 Cb 0.55 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2chb h LEU 72 CO 0.03 0.75 0.07 -0.09 0.09 0.00 0.00 178.44 179.29 2chb h ARG 73 N 0.71 0.17 -0.35 1.13 2.43 -1.03 -1.13 114.38 116.32 2chb h ARG 73 Ca 0.17 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.19 2chb h ARG 73 Cb 0.25 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 2chb h ARG 73 CO -0.01 0.18 -0.32 0.97 -1.51 0.00 0.00 179.97 179.28 2chb h ILE 74 N 0.12 1.28 -0.25 1.20 6.09 -1.19 -1.63 117.51 123.13 2chb h ILE 74 Ca 0.04 -1.47 -0.08 0.00 -1.37 0.00 0.00 64.86 61.98 2chb h ILE 74 Cb 0.05 1.36 -0.01 0.00 0.47 0.00 0.00 36.82 38.69 2chb h ILE 74 CO -0.01 0.48 -0.21 0.00 -3.07 0.00 0.00 178.15 175.35 2chb h ALA 75 N 0.99 1.18 0.08 0.18 0.00 -0.96 -1.02 119.26 119.71 2chb h ALA 75 Ca 0.07 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2chb h ALA 75 Cb 0.86 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2chb h ALA 75 CO 0.08 0.52 -0.04 -0.92 0.00 0.00 0.00 179.25 178.89 2chb h TYR 76 N 0.41 -0.10 -0.18 0.00 3.20 -1.05 -0.83 116.97 118.42 2chb h TYR 76 Ca 0.07 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 2chb h TYR 76 Cb 0.60 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 2chb h TYR 76 CO 0.02 0.29 0.07 -0.07 -1.64 0.00 0.00 178.16 176.82 2chb h LEU 77 N -0.50 0.22 -1.18 2.82 3.38 -1.08 -1.84 115.31 117.13 2chb h LEU 77 Ca -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2chb h LEU 77 Cb 0.43 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2chb h LEU 77 CO 0.02 0.21 -0.09 0.35 0.09 0.00 0.00 178.44 179.02 2chb n THR 78 N -4.45 0.00 -3.50 0.22 -2.24 -0.41 -4.96 114.28 98.93 2chb n THR 78 Ca -0.00 -0.31 -0.23 0.00 -2.27 0.00 0.00 64.05 61.24 2chb n THR 78 Cb 0.12 0.86 0.07 0.00 -2.10 0.00 0.00 70.33 69.29 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 0.38 -7.47 -2.52 -0.78 1.02 -0.63 -4.96 120.64 105.68 2chb n GLU 79 Ca 0.15 0.83 -0.38 0.00 -0.02 0.00 0.00 57.16 57.74 2chb n GLU 79 Cb 0.44 -5.82 -0.04 0.00 -0.02 0.00 0.00 31.44 26.00 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 -3.30 3.21 -0.22 0.62 0.00 -0.41 -4.77 121.76 116.89 2chb s ALA 80 Ca 0.54 0.78 -0.29 0.00 0.00 0.00 0.00 51.96 52.99 2chb s ALA 80 Cb -0.24 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.60 2chb s ALA 80 CO 0.67 -0.19 1.02 0.21 0.00 0.00 0.00 175.76 177.48 2chb s LYS 81 N -2.06 4.27 -0.14 0.00 2.20 -1.26 -4.01 119.74 118.74 2chb s LYS 81 Ca 0.52 1.33 -0.17 0.00 -0.36 0.00 0.00 55.97 57.30 2chb s LYS 81 Cb -0.26 -3.63 -0.04 0.00 -1.51 0.00 0.00 37.83 32.38 2chb s LYS 81 CO 0.33 -0.60 0.41 0.14 -0.36 0.00 0.00 175.35 175.28 2chb s VAL 82 N 3.08 5.23 0.00 4.02 -7.23 -0.47 -3.60 120.40 121.43 2chb s VAL 82 Ca 0.44 0.81 0.00 0.00 -1.81 0.00 0.00 61.98 61.42 2chb s VAL 82 Cb -0.15 -3.75 0.00 0.00 0.56 0.00 0.00 36.38 33.03 2chb s VAL 82 CO 0.07 0.34 0.23 1.21 -0.31 0.00 0.00 175.10 176.64 2chb n GLU 83 N 3.70 0.00 -4.28 4.82 2.13 0.12 -0.62 120.64 126.51 2chb n GLU 83 Ca -0.09 0.50 -0.16 0.00 0.66 0.00 0.00 57.16 58.08 2chb n GLU 83 Cb 0.52 -1.11 -0.10 0.00 0.27 0.00 0.00 31.44 31.02 2chb n GLU 83 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2chb s LYS 84 N -1.45 1.16 -0.04 5.31 1.02 -1.16 0.28 119.74 124.86 2chb s LYS 84 Ca 0.00 -1.51 0.01 0.00 0.02 0.00 0.00 55.97 54.49 2chb s LYS 84 Cb 0.00 -0.76 0.02 0.00 -0.52 0.00 0.00 37.83 36.57 2chb s LYS 84 CO 0.00 0.09 -0.06 -0.51 -0.92 0.00 0.00 175.35 173.95 2chb s LEU 85 N -3.22 1.41 -0.28 3.17 1.43 0.75 -1.27 118.68 120.67 2chb s LEU 85 Ca 0.19 -0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 53.04 2chb s LEU 85 Cb 0.02 -0.50 -0.05 0.00 0.03 0.00 0.00 46.19 45.70 2chb s LEU 85 CO 0.03 -0.03 0.18 0.00 0.23 0.00 0.00 176.35 176.76 2chb s VAL 87 N 1.71 0.86 -0.08 0.00 -7.23 0.11 -0.12 120.40 115.64 2chb s VAL 87 Ca 0.07 -0.64 -0.30 0.00 -1.81 0.00 0.00 61.98 59.30 2chb s VAL 87 Cb -0.16 -0.75 -0.02 0.00 0.56 0.00 0.00 36.38 36.01 2chb s VAL 87 CO 0.10 0.11 1.11 0.26 -0.31 0.00 0.00 175.10 176.37 2chb s TRP 88 N -0.50 3.34 -1.67 2.82 0.51 -0.16 -0.05 118.94 123.23 2chb s TRP 88 Ca 0.02 1.40 0.17 0.00 -2.12 0.00 0.00 56.10 55.57 2chb s TRP 88 Cb -0.05 -3.31 0.55 0.00 -0.81 0.00 0.00 33.47 29.84 2chb s TRP 88 CO 0.00 -0.79 1.44 0.27 -0.51 0.00 0.00 176.95 177.37 2chb n ASN 89 N 5.13 3.48 -1.97 2.95 0.23 0.14 -2.34 115.26 122.88 2chb n ASN 89 Ca 0.10 -2.15 -0.17 0.00 -0.53 0.00 0.00 54.58 51.83 2chb n ASN 89 Cb 0.47 -0.45 0.17 0.00 -2.08 0.00 0.00 39.78 37.90 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 1.07 3.78 -3.98 0.53 6.94 -1.26 -4.86 115.26 117.49 2chb n ASN 90 Ca 0.20 -3.26 -0.09 0.00 -0.02 0.00 0.00 54.58 51.41 2chb n ASN 90 Cb 0.60 -0.77 -0.10 0.00 -2.36 0.00 0.00 39.78 37.16 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 -2.70 0.58 -0.13 -3.83 -0.14 -1.26 -5.08 119.74 107.18 2chb s LYS 91 Ca 0.47 -0.90 -0.04 0.00 -1.36 0.00 0.00 55.97 54.14 2chb s LYS 91 Cb 0.39 0.22 0.06 0.00 -1.68 0.00 0.00 37.83 36.82 2chb s LYS 91 CO 0.10 -0.13 0.12 0.99 -0.76 0.00 0.00 175.35 175.67 2chb s THR 92 N -2.98 -0.17 0.97 2.17 2.01 -1.26 -3.17 115.64 113.21 2chb s THR 92 Ca -0.02 0.06 -0.11 0.00 0.31 0.00 0.00 61.69 61.93 2chb s THR 92 Cb 0.01 -0.46 0.17 0.00 0.01 0.00 0.00 72.50 72.24 2chb s THR 92 CO -0.06 -0.09 1.09 -2.84 -0.69 0.00 0.00 174.62 172.03 2chb s PRO 93 N 2.21 0.64 0.33 4.92 0.02 -1.26 -5.06 135.00 136.80 2chb s PRO 93 Ca 0.04 1.14 -0.29 0.00 0.02 0.00 0.00 61.00 61.90 2chb s PRO 93 Cb -0.14 -1.71 -0.11 0.00 0.02 0.00 0.00 34.50 32.55 2chb s PRO 93 CO -0.08 -2.76 1.55 -1.01 -0.33 0.00 0.00 177.00 174.38 2chb s HIS 94 N -2.69 2.67 -0.24 6.54 3.76 -1.19 -4.54 115.29 119.61 2chb s HIS 94 Ca 0.66 0.93 -0.19 0.00 -0.15 0.00 0.00 55.06 56.31 2chb s HIS 94 Cb -0.22 -4.06 -0.03 0.00 1.11 0.00 0.00 32.58 29.39 2chb s HIS 94 CO 0.59 -3.37 0.55 0.00 -0.85 0.00 0.00 174.74 171.67 2chb s ALA 95 N -0.46 3.58 0.05 -1.40 0.00 -0.99 -1.81 121.76 120.73 2chb s ALA 95 Ca 0.59 -0.49 -0.33 0.00 0.00 0.00 0.00 51.96 51.74 2chb s ALA 95 Cb -0.47 -2.91 -0.12 0.00 0.00 0.00 0.00 23.12 19.62 2chb s ALA 95 CO 0.54 -0.67 1.81 -0.89 0.00 0.00 0.00 175.76 176.55 2chb n ILE 96 N 4.99 0.41 -0.09 0.00 5.41 -0.35 -0.99 119.36 128.74 2chb n ILE 96 Ca -0.03 -0.07 -0.14 0.00 1.00 0.00 0.00 62.75 63.51 2chb n ILE 96 Cb 0.50 -1.94 -0.08 0.00 -0.71 0.00 0.00 39.64 37.40 2chb n ILE 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2chb n ALA 97 N 5.72 1.62 -2.99 -1.39 0.00 0.83 -4.87 120.51 119.44 2chb n ALA 97 Ca 0.20 -0.79 -0.10 0.00 0.00 0.00 0.00 53.44 52.75 2chb n ALA 97 Cb 0.33 0.10 -0.05 0.00 0.00 0.00 0.00 19.45 19.83 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 -2.37 -0.45 -0.01 0.00 0.00 -1.01 -4.99 121.76 112.92 2chb s ALA 98 Ca -0.25 -0.56 -0.08 0.00 0.00 0.00 0.00 51.96 51.07 2chb s ALA 98 Cb 0.07 0.84 0.01 0.00 0.00 0.00 0.00 23.12 24.04 2chb s ALA 98 CO 0.42 -0.72 0.17 -1.50 0.00 0.00 0.00 175.76 174.12 2chb s ILE 99 N -3.92 0.06 -0.03 0.00 2.07 -1.26 -1.99 121.20 116.13 2chb s ILE 99 Ca 0.13 -0.53 0.02 0.00 -1.41 0.00 0.00 60.65 58.86 2chb s ILE 99 Cb 0.01 -0.42 0.01 0.00 0.13 0.00 0.00 42.46 42.19 2chb s ILE 99 CO -0.02 -0.29 -0.09 -0.94 -1.91 0.00 0.00 174.94 171.69 2chb s SER 100 N -1.08 1.27 -0.11 4.50 1.04 -0.40 -5.00 113.70 113.92 2chb s SER 100 Ca -0.12 -0.20 0.03 0.00 0.48 0.00 0.00 55.95 56.15 2chb s SER 100 Cb -0.06 -0.39 0.00 0.00 0.10 0.00 0.00 66.02 65.67 2chb s SER 100 CO 0.02 0.05 -0.22 -0.04 0.98 0.00 0.00 173.24 174.03 2chb s MET 101 N 0.30 2.88 -0.26 4.02 -1.94 -1.26 0.17 119.30 123.21 2chb s MET 101 Ca -0.05 -0.82 -0.02 0.00 -1.71 0.00 0.00 55.69 53.09 2chb s MET 101 Cb -0.10 -2.24 0.14 0.00 2.01 0.00 0.00 34.83 34.65 2chb s MET 101 CO 0.01 0.10 0.41 0.00 -0.01 0.00 0.00 175.02 175.54 2chb s ALA 102 N 0.52 -1.28 -2.94 3.03 0.00 -1.24 -4.86 121.76 115.00 2chb s ALA 102 Ca -0.15 0.98 0.24 0.00 0.00 0.00 0.00 51.96 53.03 2chb s ALA 102 Cb -0.17 -1.79 0.29 0.00 0.00 0.00 0.00 23.12 21.45 2chb s ALA 102 CO 0.05 -1.32 1.32 0.09 0.00 0.00 0.00 175.76 175.90