#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 3.54 0.00 -2.82 0.04 -1.26 -4.93 135.00 129.57 2chb s PRO 2 Ca 0.00 1.59 0.18 0.00 0.04 0.00 0.00 61.00 62.80 2chb s PRO 2 Cb 0.00 -2.11 0.05 0.00 0.04 0.00 0.00 34.50 32.49 2chb s PRO 2 CO 0.00 -0.69 0.98 0.94 0.04 0.00 0.00 177.00 178.26 2chb n GLN 3 N -1.06 1.58 -3.86 4.56 7.27 -1.26 -4.93 117.38 119.68 2chb n GLN 3 Ca 0.10 -1.15 -0.08 0.00 0.07 0.00 0.00 57.00 55.95 2chb n GLN 3 Cb 0.51 -1.33 -0.01 0.00 2.41 0.00 0.00 30.24 31.81 2chb n GLN 3 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2chb s ASN 4 N -1.84 -0.16 0.38 1.69 4.22 -1.26 -5.05 114.94 112.91 2chb s ASN 4 Ca 0.17 -0.78 0.09 0.00 -2.14 0.00 0.00 52.86 50.21 2chb s ASN 4 Cb 0.15 0.75 0.76 0.00 1.28 0.00 0.00 41.25 44.19 2chb s ASN 4 CO 0.36 -1.42 1.90 -0.29 -2.04 0.00 0.00 177.10 175.62 2chb h ILE 5 N 2.02 1.19 -0.42 0.54 2.10 -1.95 -2.37 117.51 118.62 2chb h ILE 5 Ca -0.23 -0.84 -0.07 0.00 1.08 0.00 0.00 64.86 64.80 2chb h ILE 5 Cb 1.25 1.25 -0.01 0.00 -1.09 0.00 0.00 36.82 38.22 2chb h ILE 5 CO 0.28 0.26 -0.02 0.74 -1.08 0.00 0.00 178.15 178.33 2chb h THR 6 N 0.22 1.26 -0.45 2.19 2.02 -1.99 0.12 112.91 116.29 2chb h THR 6 Ca 0.04 -1.06 -0.06 0.00 0.77 0.00 0.00 66.41 66.10 2chb h THR 6 Cb 0.41 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 2chb h THR 6 CO 0.03 0.36 0.06 0.44 0.37 0.00 0.00 175.52 176.77 2chb h ASP 7 N 0.58 0.73 -0.50 4.18 3.32 -1.94 -1.91 116.42 120.88 2chb h ASP 7 Ca 0.12 -0.27 -0.03 0.00 0.02 0.00 0.00 57.03 56.87 2chb h ASP 7 Cb 0.52 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 2chb h ASP 7 CO 0.03 0.82 0.21 0.25 -1.72 0.00 0.00 179.24 178.82 2chb h LEU 8 N 0.62 0.68 -0.85 1.55 6.46 -1.29 -2.73 115.31 119.74 2chb h LEU 8 Ca 0.14 -0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 57.73 2chb h LEU 8 Cb 0.41 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.12 2chb h LEU 8 CO 0.01 0.65 0.49 0.00 -0.62 0.00 0.00 178.44 178.97 2chb n ALA 10 N -2.38 1.08 1.23 0.00 0.00 -0.73 -2.24 120.51 117.47 2chb n ALA 10 Ca 0.09 -0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.63 2chb n ALA 10 Cb 0.08 -1.01 0.38 0.00 0.00 0.00 0.00 19.45 18.90 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 -1.45 1.73 -4.18 0.00 1.02 -0.68 -4.87 120.64 112.20 2chb n GLU 11 Ca 0.00 -1.09 -0.18 0.00 -0.02 0.00 0.00 57.16 55.87 2chb n GLU 11 Cb 0.01 -1.40 -0.12 0.00 -0.02 0.00 0.00 31.44 29.91 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 -1.80 1.21 0.41 -0.32 1.51 -0.95 -5.15 117.35 112.27 2chb s TYR 12 Ca 0.32 -0.49 -0.06 0.00 -1.01 0.00 0.00 57.07 55.83 2chb s TYR 12 Cb 0.17 -0.67 -0.05 0.00 -0.11 0.00 0.00 41.96 41.31 2chb s TYR 12 CO 0.26 0.06 0.72 -1.01 -1.11 0.00 0.00 175.55 174.47 2chb s HIS 13 N -1.50 3.52 -1.29 2.71 3.76 -1.26 -4.23 115.29 116.98 2chb s HIS 13 Ca -0.00 0.79 -0.02 0.00 -0.15 0.00 0.00 55.06 55.68 2chb s HIS 13 Cb -0.09 -2.25 0.00 0.00 1.11 0.00 0.00 32.58 31.35 2chb s HIS 13 CO 0.02 -0.11 0.21 0.09 -0.85 0.00 0.00 174.74 174.09 2chb n ASN 14 N -1.75 -4.91 -4.44 1.40 3.02 -1.26 -4.96 115.26 102.36 2chb n ASN 14 Ca -0.00 -0.11 -0.26 0.00 -0.03 0.00 0.00 54.58 54.18 2chb n ASN 14 Cb 0.55 -3.91 -0.11 0.00 -0.61 0.00 0.00 39.78 35.69 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 -2.90 2.45 0.02 3.41 -4.23 -1.26 -0.19 115.64 112.95 2chb s THR 15 Ca 0.10 -2.04 -0.18 0.00 -1.18 0.00 0.00 61.69 58.39 2chb s THR 15 Cb -0.04 -2.19 0.03 0.00 1.34 0.00 0.00 72.50 71.63 2chb s THR 15 CO 0.13 -0.15 0.39 0.00 -0.54 0.00 0.00 174.62 174.44 2chb s GLN 16 N -2.79 0.85 -0.10 3.99 -2.07 -0.14 -4.87 119.66 114.53 2chb s GLN 16 Ca 0.22 -0.30 -0.11 0.00 -1.82 0.00 0.00 55.36 53.36 2chb s GLN 16 Cb -0.08 0.38 -0.05 0.00 -1.09 0.00 0.00 33.01 32.18 2chb s GLN 16 CO 0.11 -0.28 0.25 0.42 -1.32 0.00 0.00 175.29 174.47 2chb s ILE 17 N -2.12 5.32 -0.23 3.63 -1.09 -1.26 -1.42 121.20 124.03 2chb s ILE 17 Ca -0.08 0.46 0.02 0.00 -2.23 0.00 0.00 60.65 58.82 2chb s ILE 17 Cb -0.02 -3.54 0.04 0.00 -1.58 0.00 0.00 42.46 37.36 2chb s ILE 17 CO 0.00 0.55 -0.14 -1.00 -1.23 0.00 0.00 174.94 173.12 2chb s HIS 18 N -0.63 3.06 -0.42 3.97 3.76 -0.49 -4.99 115.29 119.55 2chb s HIS 18 Ca 0.17 -1.98 -0.22 0.00 -0.15 0.00 0.00 55.06 52.89 2chb s HIS 18 Cb -0.13 -1.94 0.02 0.00 1.11 0.00 0.00 32.58 31.63 2chb s HIS 18 CO 0.06 -0.84 0.70 0.99 -0.85 0.00 0.00 174.74 174.80 2chb s THR 19 N 1.20 4.78 -0.27 1.30 2.01 -1.26 -2.00 115.64 121.39 2chb s THR 19 Ca -0.03 0.38 -0.12 0.00 0.31 0.00 0.00 61.69 62.24 2chb s THR 19 Cb -0.17 -4.21 -0.14 0.00 0.01 0.00 0.00 72.50 67.99 2chb s THR 19 CO -0.08 -0.56 -0.27 0.18 -0.69 0.00 0.00 174.62 173.20 2chb n LEU 20 N 6.37 2.14 -3.93 4.42 7.99 0.67 -5.00 117.00 129.66 2chb n LEU 20 Ca 0.00 0.26 -0.25 0.00 -0.01 0.00 0.00 56.01 56.01 2chb n LEU 20 Cb 0.48 -0.86 -0.02 0.00 -0.11 0.00 0.00 43.42 42.92 2chb n LEU 20 CO 0.54 0.62 -0.22 0.59 -1.51 0.00 0.00 177.39 177.41 2chb n ASN 21 N -4.08 -0.39 -3.82 -1.43 4.13 0.15 -4.95 115.26 104.87 2chb n ASN 21 Ca -0.51 -0.99 -0.09 0.00 1.68 0.00 0.00 54.58 54.67 2chb n ASN 21 Cb 0.89 -3.15 -0.04 0.00 -1.54 0.00 0.00 39.78 35.94 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 -4.37 -0.21 0.36 6.41 2.15 -0.69 -4.88 116.67 115.44 2chb s ASP 22 Ca 0.01 -0.61 -0.07 0.00 0.43 0.00 0.00 52.55 52.31 2chb s ASP 22 Cb -0.00 0.59 -0.05 0.00 -0.30 0.00 0.00 42.92 43.16 2chb s ASP 22 CO 0.88 -1.10 0.66 -1.59 -0.17 0.00 0.00 175.17 173.85 2chb s LYS 23 N -3.91 3.66 0.17 4.34 -2.85 -1.26 -0.54 119.74 119.35 2chb s LYS 23 Ca 0.12 0.18 -0.31 0.00 -1.00 0.00 0.00 55.97 54.96 2chb s LYS 23 Cb -0.01 -2.52 -0.09 0.00 -2.06 0.00 0.00 37.83 33.15 2chb s LYS 23 CO 0.01 0.06 1.44 0.42 0.10 0.00 0.00 175.35 177.38 2chb s ILE 24 N -2.29 2.94 -0.05 3.79 1.01 -1.26 -4.65 121.20 120.69 2chb s ILE 24 Ca 0.47 0.71 -0.18 0.00 0.00 0.00 0.00 60.65 61.65 2chb s ILE 24 Cb -0.10 -3.46 -0.31 0.00 0.01 0.00 0.00 42.46 38.60 2chb s ILE 24 CO 0.33 0.08 0.79 0.15 0.00 0.00 0.00 174.94 176.29 2chb h PHE 25 N 6.17 0.60 -3.64 3.97 3.57 -0.90 -3.48 116.94 123.23 2chb h PHE 25 Ca -0.44 -0.44 -0.14 0.00 3.53 0.00 0.00 57.97 60.49 2chb h PHE 25 Cb 1.21 -0.02 -0.19 0.00 2.79 0.00 0.00 35.95 39.73 2chb h PHE 25 CO 0.64 1.45 -0.50 -1.54 -2.23 0.00 0.00 178.31 176.12 2chb s SER 26 N -7.11 0.09 -0.07 0.41 1.04 -1.04 -4.98 113.70 102.04 2chb s SER 26 Ca -0.15 -0.35 0.03 0.00 0.48 0.00 0.00 55.95 55.96 2chb s SER 26 Cb 0.03 0.21 0.01 0.00 0.10 0.00 0.00 66.02 66.37 2chb s SER 26 CO 0.83 -0.43 -0.15 -0.47 0.98 0.00 0.00 173.24 174.00 2chb s TYR 27 N -1.89 1.69 -0.04 5.02 5.04 -1.26 -2.29 117.35 123.62 2chb s TYR 27 Ca -0.11 -0.61 0.03 0.00 -2.44 0.00 0.00 57.07 53.94 2chb s TYR 27 Cb -0.05 -1.19 0.00 0.00 0.35 0.00 0.00 41.96 41.07 2chb s TYR 27 CO -0.01 -0.28 -0.12 0.99 -1.34 0.00 0.00 175.55 174.79 2chb s THR 28 N 0.49 1.05 0.00 4.34 2.01 0.31 -4.98 115.64 118.86 2chb s THR 28 Ca -0.13 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 61.40 2chb s THR 28 Cb -0.15 -0.92 -0.01 0.00 0.01 0.00 0.00 72.50 71.42 2chb s THR 28 CO 0.04 0.32 -0.10 -0.70 -0.69 0.00 0.00 174.62 173.49 2chb s GLU 29 N 0.18 0.75 -0.03 4.92 2.12 -1.26 -0.18 118.70 125.20 2chb s GLU 29 Ca -0.04 -0.43 0.03 0.00 0.36 0.00 0.00 54.97 54.88 2chb s GLU 29 Cb -0.10 -0.72 0.00 0.00 0.26 0.00 0.00 34.13 33.57 2chb s GLU 29 CO 0.01 0.19 -0.09 0.45 -0.54 0.00 0.00 175.26 175.28 2chb s SER 30 N -0.47 1.27 0.00 -1.70 0.15 0.03 -5.00 113.70 107.98 2chb s SER 30 Ca 0.02 -0.20 0.12 0.00 0.70 0.00 0.00 55.95 56.60 2chb s SER 30 Cb -0.05 -0.35 0.07 0.00 -1.71 0.00 0.00 66.02 63.98 2chb s SER 30 CO -0.00 0.07 0.84 0.00 1.20 0.00 0.00 173.24 175.35 2chb n LEU 31 N 3.31 1.85 -4.75 3.45 -0.00 -1.26 -3.09 117.00 116.51 2chb n LEU 31 Ca -0.18 -0.94 -0.42 0.00 -0.00 0.00 0.00 56.01 54.47 2chb n LEU 31 Cb 0.54 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.95 2chb n LEU 31 CO 0.25 0.35 1.19 0.00 -0.00 0.00 0.00 177.39 179.18 2chb n ALA 32 N 0.46 2.38 -1.67 1.47 0.00 -1.26 -4.81 120.51 117.09 2chb n ALA 32 Ca 0.07 0.37 -0.45 0.00 0.00 0.00 0.00 53.44 53.42 2chb n ALA 32 Cb 0.30 -2.44 -0.03 0.00 0.00 0.00 0.00 19.45 17.28 2chb n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2chb n GLY 33 N 1.69 0.88 3.21 0.00 0.00 -1.26 -0.99 105.19 108.73 2chb n GLY 33 Ca 0.07 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.65 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 2.53 0.00 -2.66 1.61 4.76 -1.26 -4.83 118.16 118.31 2chb n LYS 34 Ca 0.14 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.50 2chb n LYS 34 Cb 0.30 -2.67 0.04 0.00 -1.84 0.00 0.00 35.03 30.86 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 1.89 -2.73 1.97 3.00 -0.16 -4.99 116.66 113.64 2chb n ARG 35 Ca 0.00 -3.58 -0.43 0.00 -0.01 0.00 0.00 57.85 53.83 2chb n ARG 35 Cb 0.00 -1.62 -0.01 0.00 0.00 0.00 0.00 32.46 30.84 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 -3.53 3.92 0.32 5.56 8.01 -1.18 -4.25 118.70 127.54 2chb s GLU 36 Ca 0.31 -2.02 0.05 0.00 0.01 0.00 0.00 54.97 53.33 2chb s GLU 36 Cb 0.38 -5.30 -0.03 0.00 -4.31 0.00 0.00 34.13 24.88 2chb s GLU 36 CO -0.02 -2.05 0.28 0.00 0.01 0.00 0.00 175.26 173.49 2chb s MET 37 N 3.36 1.71 0.01 1.61 0.23 -1.18 -4.39 119.30 120.65 2chb s MET 37 Ca 0.47 -1.95 0.02 0.00 -1.03 0.00 0.00 55.69 53.20 2chb s MET 37 Cb 0.00 0.33 -0.01 0.00 -1.53 0.00 0.00 34.83 33.63 2chb s MET 37 CO 0.01 -0.63 -0.06 0.00 -2.03 0.00 0.00 175.02 172.30 2chb s ALA 38 N -3.49 0.50 -0.03 3.16 0.00 -1.23 -0.79 121.76 119.87 2chb s ALA 38 Ca 0.40 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 52.01 2chb s ALA 38 Cb 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.07 2chb s ALA 38 CO 0.25 0.08 -0.12 0.42 0.00 0.00 0.00 175.76 176.39 2chb s ILE 39 N -0.46 1.00 0.11 0.00 1.01 0.74 -1.47 121.20 122.15 2chb s ILE 39 Ca -0.01 -0.49 0.06 0.00 0.00 0.00 0.00 60.65 60.22 2chb s ILE 39 Cb -0.04 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.52 2chb s ILE 39 CO -0.00 0.30 -0.15 0.27 0.00 0.00 0.00 174.94 175.36 2chb s ILE 40 N 0.11 1.36 0.07 2.92 -4.36 -0.33 -0.53 121.20 120.43 2chb s ILE 40 Ca -0.03 -1.62 0.01 0.00 -0.26 0.00 0.00 60.65 58.75 2chb s ILE 40 Cb -0.09 -1.45 -0.04 0.00 1.25 0.00 0.00 42.46 42.13 2chb s ILE 40 CO 0.01 -0.32 -0.05 0.42 0.24 0.00 0.00 174.94 175.23 2chb s THR 41 N -1.82 0.47 0.37 8.37 -4.23 -0.97 -0.95 115.64 116.88 2chb s THR 41 Ca 0.07 -1.64 0.08 0.00 -1.18 0.00 0.00 61.69 59.01 2chb s THR 41 Cb -0.07 -1.30 -0.05 0.00 1.34 0.00 0.00 72.50 72.43 2chb s THR 41 CO 0.03 -0.79 0.14 -0.36 -0.54 0.00 0.00 174.62 173.10 2chb s PHE 42 N -3.10 2.63 0.29 3.99 0.40 -0.52 -0.21 117.98 121.46 2chb s PHE 42 Ca 0.04 -0.49 0.03 0.00 -0.60 0.00 0.00 56.93 55.91 2chb s PHE 42 Cb 0.02 -1.77 0.66 0.00 0.51 0.00 0.00 43.02 42.43 2chb s PHE 42 CO -0.05 0.28 1.79 -0.22 0.70 0.00 0.00 175.22 177.72 2chb h LYS 43 N 1.53 0.78 0.00 0.44 3.64 -1.90 -0.12 116.57 120.93 2chb h LYS 43 Ca -0.43 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2chb h LYS 43 Cb 1.25 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2chb h LYS 43 CO 0.67 0.51 0.00 0.27 -2.27 0.00 0.00 179.45 178.63 2chb n ASN 44 N -4.75 0.11 0.00 4.20 0.23 -1.26 -4.82 115.26 108.97 2chb n ASN 44 Ca 0.21 0.54 0.00 0.00 -0.53 0.00 0.00 54.58 54.80 2chb n ASN 44 Cb 0.49 -0.56 0.00 0.00 -2.08 0.00 0.00 39.78 37.63 2chb n ASN 44 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2chb n GLY 45 N -0.93 3.03 3.65 4.83 0.00 -0.06 -5.05 105.19 110.66 2chb n GLY 45 Ca 0.01 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.60 0.38 -2.73 4.61 0.00 -1.26 -4.68 120.51 115.24 2chb n ALA 46 Ca 0.00 0.43 -0.32 0.00 0.00 0.00 0.00 53.44 53.55 2chb n ALA 46 Cb 0.00 -2.28 -0.15 0.00 0.00 0.00 0.00 19.45 17.02 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 1.72 2.69 0.15 0.00 2.01 -1.26 -1.44 115.64 119.51 2chb s THR 47 Ca 0.86 -0.83 0.02 0.00 0.31 0.00 0.00 61.69 62.04 2chb s THR 47 Cb -0.81 -2.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 2chb s THR 47 CO 0.47 0.57 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.58 2chb s PHE 48 N -0.23 1.12 0.06 4.92 0.08 -0.13 -3.83 117.98 119.98 2chb s PHE 48 Ca -0.00 -0.97 -0.00 0.00 0.12 0.00 0.00 56.93 56.08 2chb s PHE 48 Cb -0.13 -0.63 -0.04 0.00 -0.57 0.00 0.00 43.02 41.64 2chb s PHE 48 CO 0.03 -0.18 -0.04 1.14 -0.10 0.00 0.00 175.22 176.07 2chb s GLN 49 N -3.88 0.67 -0.26 0.44 -2.07 -0.54 -1.19 119.66 112.82 2chb s GLN 49 Ca 0.20 -1.23 -0.07 0.00 -1.82 0.00 0.00 55.36 52.44 2chb s GLN 49 Cb 0.06 0.07 -0.02 0.00 -1.09 0.00 0.00 33.01 32.03 2chb s GLN 49 CO 0.01 -0.08 0.06 0.08 -1.32 0.00 0.00 175.29 174.04 2chb s VAL 50 N -3.71 4.11 0.70 3.63 1.01 -0.54 -1.38 120.40 124.23 2chb s VAL 50 Ca 0.07 -0.34 -0.16 0.00 0.00 0.00 0.00 61.98 61.55 2chb s VAL 50 Cb 0.06 -2.97 0.02 0.00 0.00 0.00 0.00 36.38 33.50 2chb s VAL 50 CO -0.08 0.29 1.24 -1.61 0.00 0.00 0.00 175.10 174.94 2chb s GLU 51 N 1.57 2.25 0.17 2.72 2.02 -1.26 -3.58 118.70 122.59 2chb s GLU 51 Ca 0.05 1.89 -0.31 0.00 0.02 0.00 0.00 54.97 56.63 2chb s GLU 51 Cb -0.15 -1.83 -0.08 0.00 0.10 0.00 0.00 34.13 32.16 2chb s GLU 51 CO 0.02 -1.78 1.36 0.08 0.02 0.00 0.00 175.26 174.96 2chb s VAL 52 N -1.75 3.20 0.35 2.63 1.01 -1.26 -4.90 120.40 119.68 2chb s VAL 52 Ca 0.78 0.93 -0.29 0.00 0.00 0.00 0.00 61.98 63.40 2chb s VAL 52 Cb -0.33 -3.59 -0.11 0.00 0.00 0.00 0.00 36.38 32.35 2chb s VAL 52 CO 0.43 0.11 1.49 -2.65 0.00 0.00 0.00 175.10 174.49 2chb n PRO 53 N 3.19 2.61 -1.02 2.72 -0.02 -1.26 -4.97 135.00 136.25 2chb n PRO 53 Ca 0.09 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 2chb n PRO 53 Cb 0.42 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 2chb n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2chb n GLY 54 N 0.98 2.91 0.07 -1.23 0.00 -1.26 -5.04 105.19 101.62 2chb n GLY 54 Ca 0.04 -1.17 0.09 0.00 0.00 0.00 0.00 46.02 44.99 2chb n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2chb n SER 55 N -1.27 0.37 -0.02 1.61 3.41 -1.26 -1.98 113.62 114.47 2chb n SER 55 Ca 0.00 0.60 0.14 0.00 -0.26 0.00 0.00 58.87 59.35 2chb n SER 55 Cb 0.00 -0.67 0.68 0.00 -0.26 0.00 0.00 64.21 63.96 2chb n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2chb n GLN 56 N -1.92 0.37 -4.14 4.33 0.00 -1.26 -4.77 117.38 109.99 2chb n GLN 56 Ca 0.02 -0.04 -0.35 0.00 0.00 0.00 0.00 57.00 56.63 2chb n GLN 56 Cb 0.19 -1.50 -0.09 0.00 0.00 0.00 0.00 30.24 28.84 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 -2.66 3.29 0.59 2.61 3.76 -0.84 -5.11 115.29 116.93 2chb s HIS 57 Ca 0.25 0.22 -0.05 0.00 -0.15 0.00 0.00 55.06 55.33 2chb s HIS 57 Cb 0.20 -1.92 0.02 0.00 1.11 0.00 0.00 32.58 31.98 2chb s HIS 57 CO 0.49 0.42 0.89 0.96 -0.85 0.00 0.00 174.74 176.65 2chb s ILE 58 N -0.48 3.46 0.42 0.60 -4.36 -1.26 -4.87 121.20 114.71 2chb s ILE 58 Ca 0.10 -0.10 0.14 0.00 -0.26 0.00 0.00 60.65 60.53 2chb s ILE 58 Cb -0.12 -3.38 0.35 0.00 1.25 0.00 0.00 42.46 40.56 2chb s ILE 58 CO 0.02 -0.38 1.92 0.44 0.24 0.00 0.00 174.94 177.19 2chb h ASP 59 N -0.18 0.43 0.59 4.36 3.32 -1.99 -1.18 116.42 121.77 2chb h ASP 59 Ca -0.45 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.62 2chb h ASP 59 Cb 1.27 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 2chb h ASP 59 CO 0.60 0.23 -0.02 0.77 -1.72 0.00 0.00 179.24 179.09 2chb h SER 60 N 0.46 0.00 1.86 6.45 4.64 -2.05 -2.41 113.55 122.50 2chb h SER 60 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 2chb h SER 60 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 2chb h SER 60 CO -0.12 0.02 -0.00 1.56 -0.87 0.00 0.00 176.83 177.42 2chb h GLN 61 N 0.00 0.00 0.01 4.77 4.20 -1.58 -3.36 115.11 119.15 2chb h GLN 61 Ca -0.00 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.74 2chb h GLN 61 Cb 0.33 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.05 2chb h GLN 61 CO 0.00 0.00 -0.44 0.87 -0.67 0.00 0.00 178.83 178.60 2chb h LYS 62 N 0.00 -0.57 -0.50 1.46 6.56 -1.50 -0.34 116.57 121.68 2chb h LYS 62 Ca 0.00 0.04 0.02 0.00 -1.06 0.00 0.00 60.65 59.65 2chb h LYS 62 Cb 0.93 0.13 -0.03 0.00 -0.57 0.00 0.00 32.23 32.69 2chb h LYS 62 CO 0.00 -0.38 0.30 -0.22 -2.06 0.00 0.00 179.45 177.09 2chb h LYS 63 N -0.59 0.59 -0.31 3.15 3.11 -1.76 -3.06 116.57 117.69 2chb h LYS 63 Ca 0.04 -0.04 -0.05 0.00 -2.81 0.00 0.00 60.65 57.79 2chb h LYS 63 Cb 0.67 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.75 2chb h LYS 63 CO -0.32 0.39 -0.03 0.00 -2.81 0.00 0.00 179.45 176.68 2chb h ALA 64 N 1.21 1.37 -0.40 5.00 0.00 -1.62 -1.85 119.26 122.97 2chb h ALA 64 Ca 0.20 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2chb h ALA 64 Cb -0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2chb h ALA 64 CO -0.08 0.44 0.13 0.82 0.00 0.00 0.00 179.25 180.56 2chb h ILE 65 N 0.47 1.21 -0.28 0.00 2.04 -0.97 -1.42 117.51 118.57 2chb h ILE 65 Ca 0.10 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 2chb h ILE 65 Cb 0.35 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2chb h ILE 65 CO 0.01 0.25 0.06 -0.33 0.00 0.00 0.00 178.15 178.14 2chb h GLU 66 N 0.50 0.45 -0.99 2.37 4.39 -1.41 -2.64 114.58 117.26 2chb h GLU 66 Ca 0.13 -0.11 0.08 0.00 0.34 0.00 0.00 59.36 59.80 2chb h GLU 66 Cb 0.25 -0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 28.77 2chb h GLU 66 CO -0.00 0.54 0.64 -0.09 -1.16 0.00 0.00 179.01 178.93 2chb h ARG 67 N 0.28 1.08 -0.67 2.33 2.43 -1.24 -1.40 114.38 117.19 2chb h ARG 67 Ca 0.09 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 2chb h ARG 67 Cb 0.30 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 2chb h ARG 67 CO 0.00 0.71 0.26 1.98 -1.51 0.00 0.00 179.97 181.41 2chb h MET 68 N 1.11 1.00 -0.20 0.20 4.05 -1.08 0.11 114.93 120.11 2chb h MET 68 Ca 0.44 -0.17 -0.13 0.00 -0.28 0.00 0.00 59.70 59.56 2chb h MET 68 Cb 0.24 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 30.87 2chb h MET 68 CO -0.19 0.82 -0.42 0.87 0.23 0.00 0.00 176.91 178.23 2chb h LYS 69 N 0.98 0.48 -0.28 0.39 1.57 -0.93 -1.21 116.57 117.57 2chb h LYS 69 Ca 0.23 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 2chb h LYS 69 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2chb h LYS 69 CO -0.02 0.82 0.07 -0.44 -0.57 0.00 0.00 179.45 179.31 2chb h ASP 70 N 0.40 0.42 -0.21 0.86 3.32 -0.51 -2.36 116.42 118.34 2chb h ASP 70 Ca 0.03 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.86 2chb h ASP 70 Cb 0.90 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 2chb h ASP 70 CO 0.08 0.54 0.14 0.74 -1.72 0.00 0.00 179.24 179.02 2chb h THR 71 N 0.29 1.05 -0.37 0.35 2.02 -0.56 -1.87 112.91 113.82 2chb h THR 71 Ca 0.09 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 2chb h THR 71 Cb 0.28 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 2chb h THR 71 CO 0.00 0.05 0.22 -0.07 0.37 0.00 0.00 175.52 176.09 2chb h LEU 72 N 0.28 0.45 -0.27 2.58 3.38 -1.20 0.22 115.31 120.75 2chb h LEU 72 Ca 0.08 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.02 2chb h LEU 72 Cb -0.03 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2chb h LEU 72 CO -0.02 0.38 0.09 -0.09 0.09 0.00 0.00 178.44 178.89 2chb h ARG 73 N 0.49 0.20 -0.11 1.13 2.43 -1.30 0.12 114.38 117.33 2chb h ARG 73 Ca 0.13 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.14 2chb h ARG 73 Cb 0.01 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2chb h ARG 73 CO -0.02 0.13 -0.57 0.97 -1.51 0.00 0.00 179.97 178.97 2chb h ILE 74 N 0.21 1.36 -0.45 1.20 6.09 -0.98 -0.68 117.51 124.26 2chb h ILE 74 Ca 0.12 -1.88 -0.03 0.00 -1.37 0.00 0.00 64.86 61.70 2chb h ILE 74 Cb 0.09 1.90 -0.02 0.00 0.47 0.00 0.00 36.82 39.26 2chb h ILE 74 CO -0.13 0.57 0.18 0.00 -3.07 0.00 0.00 178.15 175.70 2chb h ALA 75 N 1.12 0.58 -0.20 0.18 0.00 -0.31 -1.18 119.26 119.46 2chb h ALA 75 Ca -0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2chb h ALA 75 Cb 1.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2chb h ALA 75 CO 0.10 0.19 0.12 -0.92 0.00 0.00 0.00 179.25 178.73 2chb h TYR 76 N 0.58 0.26 0.00 0.00 3.20 -0.51 -0.26 116.97 120.23 2chb h TYR 76 Ca 0.15 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 2chb h TYR 76 Cb 0.19 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 2chb h TYR 76 CO 0.00 0.21 -0.26 -0.07 -1.64 0.00 0.00 178.16 176.40 2chb h LEU 77 N 0.23 0.00 -1.67 2.82 3.38 -0.97 -2.93 115.31 116.18 2chb h LEU 77 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2chb h LEU 77 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2chb h LEU 77 CO -0.01 0.26 -0.08 0.35 0.09 0.00 0.00 178.44 179.05 2chb n THR 78 N -3.52 0.00 -3.70 0.22 -2.24 -0.46 -4.96 114.28 99.62 2chb n THR 78 Ca -0.00 -0.43 -0.25 0.00 -2.27 0.00 0.00 64.05 61.10 2chb n THR 78 Cb 0.42 1.35 0.06 0.00 -2.10 0.00 0.00 70.33 70.05 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 0.99 -6.52 -2.42 -0.78 1.02 -0.24 -4.95 120.64 107.74 2chb n GLU 79 Ca 0.14 0.72 -0.40 0.00 -0.02 0.00 0.00 57.16 57.60 2chb n GLU 79 Cb 0.55 -5.65 -0.04 0.00 -0.02 0.00 0.00 31.44 26.29 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 -3.37 3.35 -0.18 0.62 0.00 -0.46 -4.84 121.76 116.88 2chb s ALA 80 Ca 0.44 0.92 -0.29 0.00 0.00 0.00 0.00 51.96 53.03 2chb s ALA 80 Cb -0.21 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.57 2chb s ALA 80 CO 0.78 -0.26 1.02 0.21 0.00 0.00 0.00 175.76 177.51 2chb s LYS 81 N -1.69 4.32 -0.15 0.00 2.20 -1.26 -4.35 119.74 118.81 2chb s LYS 81 Ca 0.48 1.36 -0.17 0.00 -0.36 0.00 0.00 55.97 57.28 2chb s LYS 81 Cb -0.32 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.36 2chb s LYS 81 CO 0.41 -0.50 0.44 0.54 -0.36 0.00 0.00 175.35 175.88 2chb s VAL 82 N 2.70 5.20 -0.05 4.02 0.11 0.30 -3.70 120.40 128.98 2chb s VAL 82 Ca 0.46 0.84 -0.00 0.00 -2.93 0.00 0.00 61.98 60.35 2chb s VAL 82 Cb -0.16 -3.77 -0.00 0.00 -1.53 0.00 0.00 36.38 30.91 2chb s VAL 82 CO 0.11 0.31 0.01 -0.08 -3.33 0.00 0.00 175.10 172.12 2chb h GLU 83 N 6.91 -0.01 -4.91 1.54 4.81 -0.79 0.69 114.58 122.83 2chb h GLU 83 Ca -0.39 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.55 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 0.75 -0.01 -0.71 0.15 -0.73 0.00 0.00 179.01 178.46 2chb s LYS 84 N -1.34 0.95 -0.02 1.92 1.02 -1.09 -0.24 119.74 120.93 2chb s LYS 84 Ca -0.00 -1.37 0.02 0.00 0.02 0.00 0.00 55.97 54.65 2chb s LYS 84 Cb 0.00 -0.46 0.00 0.00 -0.52 0.00 0.00 37.83 36.85 2chb s LYS 84 CO 0.00 0.04 -0.09 -0.51 -0.92 0.00 0.00 175.35 173.88 2chb s LEU 85 N -3.01 1.83 -0.23 3.17 1.43 -0.85 -1.03 118.68 120.00 2chb s LEU 85 Ca 0.13 -0.18 -0.07 0.00 -1.03 0.00 0.00 54.13 52.99 2chb s LEU 85 Cb 0.03 -0.52 -0.03 0.00 0.03 0.00 0.00 46.19 45.70 2chb s LEU 85 CO -0.01 0.07 0.05 0.00 0.23 0.00 0.00 176.35 176.69 2chb s VAL 87 N 1.27 1.49 -0.17 0.00 -7.23 -0.51 0.14 120.40 115.40 2chb s VAL 87 Ca 0.04 -1.76 -0.20 0.00 -1.81 0.00 0.00 61.98 58.25 2chb s VAL 87 Cb -0.15 -1.62 -0.03 0.00 0.56 0.00 0.00 36.38 35.14 2chb s VAL 87 CO 0.03 -0.37 0.59 0.26 -0.31 0.00 0.00 175.10 175.30 2chb s TRP 88 N -2.05 3.42 -1.76 2.82 0.51 0.20 -0.97 118.94 121.11 2chb s TRP 88 Ca 0.11 0.93 0.20 0.00 -2.12 0.00 0.00 56.10 55.21 2chb s TRP 88 Cb -0.05 -2.73 0.62 0.00 -0.81 0.00 0.00 33.47 30.50 2chb s TRP 88 CO 0.04 -0.07 1.52 0.27 -0.51 0.00 0.00 176.95 178.20 2chb n ASN 89 N 4.62 3.89 -1.22 2.95 0.23 0.73 -2.08 115.26 124.37 2chb n ASN 89 Ca -0.03 -2.12 0.08 0.00 -0.53 0.00 0.00 54.58 51.98 2chb n ASN 89 Cb 0.50 -0.49 0.27 0.00 -2.08 0.00 0.00 39.78 37.99 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 1.37 3.58 -4.21 0.53 6.94 -1.26 -4.86 115.26 117.35 2chb n ASN 90 Ca 0.23 -2.25 -0.18 0.00 -0.02 0.00 0.00 54.58 52.37 2chb n ASN 90 Cb 0.65 -0.47 -0.11 0.00 -2.36 0.00 0.00 39.78 37.49 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 -1.63 0.93 -0.07 -3.83 -0.14 -1.26 -5.10 119.74 108.64 2chb s LYS 91 Ca 0.39 -1.11 -0.01 0.00 -1.36 0.00 0.00 55.97 53.87 2chb s LYS 91 Cb 0.24 -0.86 0.03 0.00 -1.68 0.00 0.00 37.83 35.56 2chb s LYS 91 CO 0.21 0.18 0.01 0.99 -0.76 0.00 0.00 175.35 175.97 2chb s THR 92 N -1.77 0.33 0.87 2.17 2.01 -1.26 -3.02 115.64 114.97 2chb s THR 92 Ca 0.04 0.13 -0.11 0.00 0.31 0.00 0.00 61.69 62.06 2chb s THR 92 Cb -0.07 -0.51 0.12 0.00 0.01 0.00 0.00 72.50 72.04 2chb s THR 92 CO 0.02 0.24 1.10 -2.84 -0.69 0.00 0.00 174.62 172.45 2chb s PRO 93 N 1.99 1.43 0.25 4.92 0.02 -1.26 -5.06 135.00 137.28 2chb s PRO 93 Ca 0.05 1.14 -0.31 0.00 0.02 0.00 0.00 61.00 61.90 2chb s PRO 93 Cb -0.12 -1.80 -0.13 0.00 0.02 0.00 0.00 34.50 32.46 2chb s PRO 93 CO -0.05 -2.22 1.38 0.72 -0.33 0.00 0.00 177.00 176.51 2chb n HIS 94 N -3.91 2.14 -3.32 6.54 8.25 -1.17 -4.54 115.22 119.22 2chb n HIS 94 Ca 0.09 0.46 -0.38 0.00 -0.26 0.00 0.00 57.72 57.62 2chb n HIS 94 Cb 0.53 -2.45 -0.07 0.00 1.12 0.00 0.00 29.99 29.13 2chb n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2chb s ALA 95 N -0.20 3.54 -0.02 -1.41 0.00 -0.88 -1.47 121.76 121.32 2chb s ALA 95 Ca 0.67 -0.42 -0.30 0.00 0.00 0.00 0.00 51.96 51.90 2chb s ALA 95 Cb -0.64 -2.70 -0.06 0.00 0.00 0.00 0.00 23.12 19.71 2chb s ALA 95 CO 0.51 -0.31 1.62 0.42 0.00 0.00 0.00 175.76 178.01 2chb s ILE 96 N 1.33 3.49 -0.23 0.00 1.01 -0.48 -0.63 121.20 125.69 2chb s ILE 96 Ca 0.22 0.71 0.10 0.00 0.00 0.00 0.00 60.65 61.68 2chb s ILE 96 Cb -0.15 -3.46 -0.21 0.00 0.01 0.00 0.00 42.46 38.65 2chb s ILE 96 CO 0.09 -0.04 -0.08 0.00 0.00 0.00 0.00 174.94 174.91 2chb n ALA 97 N 6.58 1.47 -3.45 9.38 0.00 0.12 -4.88 120.51 129.73 2chb n ALA 97 Ca 0.16 -1.22 -0.12 0.00 0.00 0.00 0.00 53.44 52.27 2chb n ALA 97 Cb 0.42 -0.15 -0.02 0.00 0.00 0.00 0.00 19.45 19.71 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 -2.51 -1.58 0.07 0.00 0.00 -1.06 -4.97 121.76 111.71 2chb s ALA 98 Ca -0.23 0.45 0.03 0.00 0.00 0.00 0.00 51.96 52.21 2chb s ALA 98 Cb 0.08 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 24.04 2chb s ALA 98 CO 0.71 -0.79 -0.10 0.42 0.00 0.00 0.00 175.76 176.01 2chb s ILE 99 N -3.74 0.79 -0.03 0.00 1.09 -1.26 -1.40 121.20 116.64 2chb s ILE 99 Ca 0.02 -1.35 0.03 0.00 -1.10 0.00 0.00 60.65 58.24 2chb s ILE 99 Cb -0.01 -1.01 0.00 0.00 -1.06 0.00 0.00 42.46 40.38 2chb s ILE 99 CO -0.12 -0.43 -0.10 -0.94 -0.10 0.00 0.00 174.94 173.25 2chb s SER 100 N -1.97 1.37 -0.05 3.58 1.04 -0.19 -5.00 113.70 112.47 2chb s SER 100 Ca -0.02 -0.21 0.03 0.00 0.48 0.00 0.00 55.95 56.23 2chb s SER 100 Cb -0.07 -0.40 0.00 0.00 0.10 0.00 0.00 66.02 65.66 2chb s SER 100 CO 0.00 0.07 -0.15 -0.04 0.98 0.00 0.00 173.24 174.11 2chb s MET 101 N 0.23 1.75 0.12 4.02 -1.94 -1.26 -0.09 119.30 122.13 2chb s MET 101 Ca -0.04 -0.52 -0.06 0.00 -1.71 0.00 0.00 55.69 53.36 2chb s MET 101 Cb -0.10 -1.48 -0.02 0.00 2.01 0.00 0.00 34.83 35.25 2chb s MET 101 CO 0.01 0.14 0.16 0.00 -0.01 0.00 0.00 175.02 175.32 2chb s ALA 102 N 0.33 0.25 0.00 3.03 0.00 -1.24 -4.88 121.76 119.25 2chb s ALA 102 Ca -0.09 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.84 2chb s ALA 102 Cb -0.13 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.69 2chb s ALA 102 CO 0.03 -0.54 0.00 0.09 0.00 0.00 0.00 175.76 175.34