#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qan s LEU 10 N 0.00 0.92 -0.18 -1.84 1.43 -1.26 -4.06 118.68 113.70 2qan s LEU 10 Ca 0.00 -0.79 -0.18 0.00 -1.03 0.00 0.00 54.13 52.13 2qan s LEU 10 Cb 0.00 -0.48 -0.04 0.00 0.03 0.00 0.00 46.19 45.70 2qan s LEU 10 CO 0.00 -0.33 0.50 -1.10 0.23 0.00 0.00 176.35 175.65 2qan s GLN 11 N 1.95 4.23 -0.33 1.70 -0.21 0.37 -4.92 119.66 122.44 2qan s GLN 11 Ca 0.00 0.40 -0.02 0.00 0.02 0.00 0.00 55.36 55.76 2qan s GLN 11 Cb -0.17 -3.53 0.07 0.00 1.00 0.00 0.00 33.01 30.38 2qan s GLN 11 CO -0.09 -0.06 0.06 -1.21 -2.12 0.00 0.00 175.29 171.87 2qan s GLU 12 N 1.34 2.30 -0.18 2.91 2.02 -1.26 -1.23 118.70 124.60 2qan s GLU 12 Ca 0.24 -1.42 -0.02 0.00 0.02 0.00 0.00 54.97 53.79 2qan s GLU 12 Cb -0.15 -3.31 -0.01 0.00 0.10 0.00 0.00 34.13 30.76 2qan s GLU 12 CO 0.10 -0.75 -0.09 0.21 0.02 0.00 0.00 175.26 174.75 2qan s LYS 13 N 1.22 3.35 -0.58 1.61 2.47 -0.92 -5.02 119.74 121.87 2qan s LYS 13 Ca -0.01 -0.66 -0.22 0.00 -1.56 0.00 0.00 55.97 53.52 2qan s LYS 13 Cb -0.20 -2.83 0.06 0.00 -1.46 0.00 0.00 37.83 33.40 2qan s LYS 13 CO -0.02 -0.04 0.85 -1.17 0.16 0.00 0.00 175.35 175.13 2qan s LEU 14 N 1.03 4.55 0.05 5.43 1.98 -1.26 -1.85 118.68 128.62 2qan s LEU 14 Ca -0.00 -0.84 -0.24 0.00 -2.89 0.00 0.00 54.13 50.16 2qan s LEU 14 Cb -0.15 -2.53 -0.12 0.00 0.66 0.00 0.00 46.19 44.05 2qan s LEU 14 CO -0.01 -1.22 1.37 0.40 -1.89 0.00 0.00 176.35 175.01 2qan h ILE 15 N 5.96 0.00 -1.47 6.68 2.04 -0.92 -3.48 117.51 126.31 2qan h ILE 15 Ca -0.28 0.00 0.25 0.00 1.00 0.00 0.00 64.86 65.84 2qan h ILE 15 Cb 1.08 0.00 -0.19 0.00 -0.74 0.00 0.00 36.82 36.97 2qan h ILE 15 CO 1.10 0.00 0.81 0.00 0.00 0.00 0.00 178.15 180.06 2qan s ALA 16 N -4.99 -2.07 0.04 1.87 0.00 -0.93 -4.98 121.76 110.70 2qan s ALA 16 Ca -0.12 1.60 0.05 0.00 0.00 0.00 0.00 51.96 53.49 2qan s ALA 16 Cb 0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 2qan s ALA 16 CO 0.40 -0.60 -0.14 0.54 0.00 0.00 0.00 175.76 175.96 2qan s VAL 17 N -2.41 1.13 0.28 0.00 0.11 -1.26 -0.03 120.40 118.22 2qan s VAL 17 Ca 0.09 -1.05 0.09 0.00 -2.93 0.00 0.00 61.98 58.18 2qan s VAL 17 Cb -0.01 -1.03 -0.06 0.00 -1.53 0.00 0.00 36.38 33.75 2qan s VAL 17 CO -0.05 -0.02 -0.11 0.20 -3.33 0.00 0.00 175.10 171.79 2qan s ASN 18 N -1.22 3.13 -0.04 3.54 0.02 0.46 -4.97 114.94 115.86 2qan s ASN 18 Ca 0.01 -1.13 -0.01 0.00 -1.02 0.00 0.00 52.86 50.72 2qan s ASN 18 Cb -0.08 -0.23 -0.00 0.00 0.02 0.00 0.00 41.25 40.95 2qan s ASN 18 CO 0.01 -0.20 -0.02 -0.09 0.02 0.00 0.00 177.10 176.83 2qan h ARG 19 N 2.27 0.00 -1.87 -0.60 2.43 -1.87 -1.44 114.38 113.29 2qan h ARG 19 Ca -0.40 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 2qan h ARG 19 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2qan h ARG 19 CO 0.66 0.00 -0.47 0.28 -1.51 0.00 0.00 179.97 178.93 2qan n VAL 20 N -2.93 -2.64 -4.30 0.20 0.31 -1.26 -2.17 118.33 105.54 2qan n VAL 20 Ca -0.01 1.07 -0.16 0.00 -0.01 0.00 0.00 64.34 65.23 2qan n VAL 20 Cb 0.02 -1.53 -0.10 0.00 -0.91 0.00 0.00 33.84 31.32 2qan n VAL 20 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2qan s SER 21 N -3.19 1.28 -0.35 4.52 0.15 -1.26 -2.44 113.70 112.40 2qan s SER 21 Ca 0.00 -1.30 0.03 0.00 0.70 0.00 0.00 55.95 55.38 2qan s SER 21 Cb 0.00 0.13 0.15 0.00 -1.71 0.00 0.00 66.02 64.59 2qan s SER 21 CO 0.00 -0.66 0.39 -0.75 1.20 0.00 0.00 173.24 173.42 2qan s LYS 22 N -3.98 0.58 0.28 5.44 2.20 -0.87 -4.92 119.74 118.48 2qan s LYS 22 Ca 0.32 -0.61 -0.29 0.00 -0.36 0.00 0.00 55.97 55.03 2qan s LYS 22 Cb 0.07 -0.61 -0.10 0.00 -1.51 0.00 0.00 37.83 35.68 2qan s LYS 22 CO 0.10 -1.15 1.24 -0.08 -0.36 0.00 0.00 175.35 175.09 2qan s THR 23 N 1.71 3.09 0.32 3.43 -1.32 -1.26 -1.70 115.64 119.92 2qan s THR 23 Ca 0.15 1.05 0.06 0.00 -1.21 0.00 0.00 61.69 61.73 2qan s THR 23 Cb -0.14 -3.67 -0.03 0.00 -1.51 0.00 0.00 72.50 67.16 2qan s THR 23 CO -0.11 0.23 0.29 0.68 -2.21 0.00 0.00 174.62 173.50 2qan s VAL 24 N -0.84 0.00 0.35 5.08 -7.23 -0.02 -4.92 120.40 112.82 2qan s VAL 24 Ca 0.49 -1.96 0.15 0.00 -1.81 0.00 0.00 61.98 58.86 2qan s VAL 24 Cb -0.36 -2.52 0.34 0.00 0.56 0.00 0.00 36.38 34.40 2qan s VAL 24 CO 0.45 0.00 1.68 0.07 -0.31 0.00 0.00 175.10 176.99 2qan h LYS 25 N 2.17 0.34 -0.01 4.82 2.10 -2.00 0.18 116.57 124.17 2qan h LYS 25 Ca -0.26 -0.02 -0.21 0.00 -2.00 0.00 0.00 60.65 58.16 2qan h LYS 25 Cb 1.23 -0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 32.48 2qan h LYS 25 CO 0.38 0.23 -0.89 0.78 -2.00 0.00 0.00 179.45 177.94 2qan h GLY 26 N 0.35 0.37 0.00 0.07 0.00 -1.99 -3.50 103.07 98.38 2qan h GLY 26 Ca 0.72 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2qan h GLY 26 CO -0.55 0.57 0.00 0.61 0.00 0.00 0.00 176.54 177.16 2qan n GLY 27 N 0.87 -0.55 3.71 4.60 0.00 0.64 -5.12 105.19 109.34 2qan n GLY 27 Ca -0.05 -1.56 -0.32 0.00 0.00 0.00 0.00 46.02 44.09 2qan n GLY 27 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qan s ARG 28 N -1.87 1.60 -0.29 1.61 1.70 -1.26 -0.84 118.95 119.60 2qan s ARG 28 Ca 0.00 1.52 -0.01 0.00 -0.47 0.00 0.00 55.73 56.77 2qan s ARG 28 Cb 0.00 -1.79 0.09 0.00 -0.57 0.00 0.00 34.95 32.68 2qan s ARG 28 CO 0.00 -2.20 0.08 0.42 -1.08 0.00 0.00 175.30 172.52 2qan s ILE 29 N -2.53 0.95 0.74 4.99 1.01 -0.69 -4.82 121.20 120.85 2qan s ILE 29 Ca 0.67 -1.32 -0.15 0.00 0.00 0.00 0.00 60.65 59.85 2qan s ILE 29 Cb -0.23 -1.64 0.02 0.00 0.01 0.00 0.00 42.46 40.62 2qan s ILE 29 CO 0.54 -0.57 1.04 2.22 0.00 0.00 0.00 174.94 178.17 2qan n PHE 30 N 4.83 0.88 -2.92 3.97 1.16 -1.26 -2.05 117.46 122.07 2qan n PHE 30 Ca -0.03 0.40 0.00 0.00 -1.87 0.00 0.00 57.45 55.94 2qan n PHE 30 Cb 0.43 -2.10 0.00 0.00 -1.61 0.00 0.00 39.48 36.20 2qan n PHE 30 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2qan n SER 31 N -2.07 0.00 -3.60 5.98 2.88 -1.02 -4.90 113.62 110.88 2qan n SER 31 Ca 0.13 -0.87 -0.13 0.00 -1.33 0.00 0.00 58.87 56.67 2qan n SER 31 Cb 0.50 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.90 2qan n SER 31 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2qan s PHE 32 N -7.92 -0.35 -0.15 0.66 0.08 -0.84 -4.35 117.98 105.11 2qan s PHE 32 Ca 0.00 0.27 -0.06 0.00 0.12 0.00 0.00 56.93 57.26 2qan s PHE 32 Cb 0.00 0.31 0.07 0.00 -0.57 0.00 0.00 43.02 42.83 2qan s PHE 32 CO 0.00 -0.65 0.33 0.95 -0.10 0.00 0.00 175.22 175.75 2qan s THR 33 N -2.84 -0.31 -0.09 0.64 -4.23 -0.54 -1.71 115.64 106.55 2qan s THR 33 Ca -0.03 0.18 0.02 0.00 -1.18 0.00 0.00 61.69 60.69 2qan s THR 33 Cb -0.00 -0.52 -0.01 0.00 1.34 0.00 0.00 72.50 73.30 2qan s THR 33 CO -0.05 0.08 -0.17 0.00 -0.54 0.00 0.00 174.62 173.94 2qan s ALA 34 N 2.01 2.48 -0.28 3.99 0.00 -0.29 -0.41 121.76 129.26 2qan s ALA 34 Ca -0.04 -0.95 -0.06 0.00 0.00 0.00 0.00 51.96 50.90 2qan s ALA 34 Cb -0.11 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 22.02 2qan s ALA 34 CO -0.11 0.36 0.06 -1.17 0.00 0.00 0.00 175.76 174.90 2qan s LEU 35 N 0.01 3.63 0.08 0.00 2.96 0.96 -2.65 118.68 123.66 2qan s LEU 35 Ca -0.06 -0.58 0.01 0.00 -0.22 0.00 0.00 54.13 53.28 2qan s LEU 35 Cb -0.15 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 2qan s LEU 35 CO 0.05 -0.14 -0.06 0.28 -1.32 0.00 0.00 176.35 175.16 2qan s THR 36 N 1.51 0.56 0.02 3.68 -1.32 -0.99 -0.17 115.64 118.94 2qan s THR 36 Ca 0.04 -1.83 0.04 0.00 -1.21 0.00 0.00 61.69 58.73 2qan s THR 36 Cb -0.16 -1.54 -0.02 0.00 -1.51 0.00 0.00 72.50 69.27 2qan s THR 36 CO 0.02 -0.86 -0.12 0.68 -2.21 0.00 0.00 174.62 172.12 2qan s VAL 37 N -3.49 0.97 -0.17 5.08 -7.23 -0.77 0.98 120.40 115.76 2qan s VAL 37 Ca 0.09 -0.79 0.01 0.00 -1.81 0.00 0.00 61.98 59.48 2qan s VAL 37 Cb 0.05 -0.86 0.02 0.00 0.56 0.00 0.00 36.38 36.14 2qan s VAL 37 CO -0.06 0.07 -0.20 -0.69 -0.31 0.00 0.00 175.10 173.92 2qan s VAL 38 N -0.65 2.05 0.08 1.32 1.01 -0.90 -2.17 120.40 121.15 2qan s VAL 38 Ca 0.02 -0.94 0.09 0.00 0.00 0.00 0.00 61.98 61.15 2qan s VAL 38 Cb -0.07 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 2qan s VAL 38 CO 0.01 0.54 -0.24 -0.83 0.00 0.00 0.00 175.10 174.57 2qan s GLY 39 N 1.24 1.52 0.10 4.51 0.00 -0.36 -2.02 107.32 112.31 2qan s GLY 39 Ca 0.04 -1.33 0.08 0.00 0.00 0.00 0.00 44.72 43.51 2qan s GLY 39 CO -0.12 -1.25 1.21 1.29 0.00 0.00 0.00 173.10 174.23 2qan h ASP 40 N 4.36 0.00 0.00 1.64 2.03 -0.92 1.06 116.42 124.59 2qan h ASP 40 Ca -0.48 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.82 2qan h ASP 40 Cb 1.16 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.66 2qan h ASP 40 CO 0.43 0.99 0.00 0.61 -1.03 0.00 0.00 179.24 180.24 2qan n GLY 41 N 1.37 1.51 1.14 7.15 0.00 -0.94 -3.61 105.19 111.81 2qan n GLY 41 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2qan n GLY 41 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qan n ASN 42 N 0.00 0.22 -2.77 1.61 2.85 -1.23 -3.99 115.26 111.95 2qan n ASN 42 Ca 0.00 0.05 -0.02 0.00 -0.11 0.00 0.00 54.58 54.50 2qan n ASN 42 Cb 0.00 -0.06 0.07 0.00 1.24 0.00 0.00 39.78 41.03 2qan n ASN 42 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2qan n GLY 43 N 3.23 1.79 3.12 8.20 0.00 -1.23 -4.38 105.19 115.92 2qan n GLY 43 Ca 0.00 -0.85 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 2qan n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qan s ARG 44 N -2.68 0.24 0.21 1.61 0.52 -1.23 -1.68 118.95 115.94 2qan s ARG 44 Ca 0.23 0.78 -0.00 0.00 -0.52 0.00 0.00 55.73 56.22 2qan s ARG 44 Cb 0.37 0.04 -0.04 0.00 0.52 0.00 0.00 34.95 35.83 2qan s ARG 44 CO -0.05 -0.23 0.10 0.14 0.02 0.00 0.00 175.30 175.28 2qan s VAL 45 N 2.06 0.24 -0.30 3.52 -7.23 -1.08 -0.70 120.40 116.91 2qan s VAL 45 Ca -0.03 -1.99 -0.18 0.00 -1.81 0.00 0.00 61.98 57.97 2qan s VAL 45 Cb -0.11 -2.48 0.17 0.00 0.56 0.00 0.00 36.38 34.52 2qan s VAL 45 CO -0.10 -0.07 1.23 -0.83 -0.31 0.00 0.00 175.10 175.02 2qan s GLY 46 N -3.20 -0.28 0.18 2.32 0.00 -0.86 -1.24 107.32 104.24 2qan s GLY 46 Ca 0.36 2.97 -0.30 0.00 0.00 0.00 0.00 44.72 47.75 2qan s GLY 46 CO 0.11 4.07 1.13 -0.11 0.00 0.00 0.00 173.10 178.30 2qan s PHE 47 N 3.00 3.54 -0.14 1.90 -0.71 -1.26 -2.11 117.98 122.20 2qan s PHE 47 Ca 0.02 1.55 0.00 0.00 -1.04 0.00 0.00 56.93 57.46 2qan s PHE 47 Cb -0.06 -3.32 0.02 0.00 -1.21 0.00 0.00 43.02 38.46 2qan s PHE 47 CO -0.11 -0.78 -0.14 0.20 -1.34 0.00 0.00 175.22 173.05 2qan s GLY 48 N -0.01 1.10 -0.18 1.99 0.00 0.28 -4.52 107.32 105.97 2qan s GLY 48 Ca 0.50 -0.87 -0.03 0.00 0.00 0.00 0.00 44.72 44.33 2qan s GLY 48 CO 0.35 0.52 -0.05 -0.47 0.00 0.00 0.00 173.10 173.45 2qan s TYR 49 N 1.46 2.95 0.01 1.90 5.04 -1.26 -2.34 117.35 125.12 2qan s TYR 49 Ca 0.04 -0.66 -0.07 0.00 -2.44 0.00 0.00 57.07 53.94 2qan s TYR 49 Cb -0.13 -2.01 -0.00 0.00 0.35 0.00 0.00 41.96 40.16 2qan s TYR 49 CO -0.10 -0.32 0.12 0.20 -1.34 0.00 0.00 175.55 174.11 2qan s GLY 50 N 0.92 0.09 0.15 8.97 0.00 -1.08 -4.87 107.32 111.49 2qan s GLY 50 Ca -0.01 -0.27 0.08 0.00 0.00 0.00 0.00 44.72 44.53 2qan s GLY 50 CO 0.01 -0.40 -0.18 -1.59 0.00 0.00 0.00 173.10 170.94 2qan s LYS 51 N -1.72 1.21 0.02 2.90 -2.85 -1.26 -1.14 119.74 116.90 2qan s LYS 51 Ca -0.12 -1.34 -0.28 0.00 -1.00 0.00 0.00 55.97 53.23 2qan s LYS 51 Cb -0.06 -1.26 0.09 0.00 -2.06 0.00 0.00 37.83 34.55 2qan s LYS 51 CO -0.00 0.26 0.81 0.00 0.10 0.00 0.00 175.35 176.52 2qan s ALA 52 N -1.95 -1.77 0.21 0.59 0.00 -0.69 -4.69 121.76 113.46 2qan s ALA 52 Ca 0.13 0.95 -0.09 0.00 0.00 0.00 0.00 51.96 52.95 2qan s ALA 52 Cb -0.06 0.42 0.25 0.00 0.00 0.00 0.00 23.12 23.73 2qan s ALA 52 CO 0.06 -0.66 1.81 -0.09 0.00 0.00 0.00 175.76 176.88 2qan h ARG 53 N 2.10 0.69 -6.37 0.00 2.43 -1.91 -2.23 114.38 109.09 2qan h ARG 53 Ca -0.25 -0.04 -0.55 0.00 -0.81 0.00 0.00 59.98 58.33 2qan h ARG 53 Cb 1.25 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.60 2qan h ARG 53 CO 0.33 0.46 -0.02 -1.21 -1.51 0.00 0.00 179.97 178.02 2qan s GLU 54 N -6.09 4.12 0.15 0.20 0.41 -1.26 -4.50 118.70 111.73 2qan s GLU 54 Ca -0.13 0.66 -0.17 0.00 -0.41 0.00 0.00 54.97 54.93 2qan s GLU 54 Cb 0.16 -3.00 0.05 0.00 -1.78 0.00 0.00 34.13 29.56 2qan s GLU 54 CO 0.76 0.50 1.75 0.28 -0.49 0.00 0.00 175.26 178.06 2qan h VAL 55 N 2.97 0.91 -0.16 2.63 2.07 -1.94 -2.86 116.25 119.86 2qan h VAL 55 Ca -0.49 -0.09 -0.08 0.00 0.82 0.00 0.00 66.70 66.86 2qan h VAL 55 Cb 1.20 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2qan h VAL 55 CO 0.65 0.05 -0.21 1.55 0.02 0.00 0.00 177.57 179.62 2qan h PRO 56 N 0.27 0.43 -0.87 1.57 0.13 -1.94 -3.26 132.00 128.32 2qan h PRO 56 Ca 0.15 -0.25 0.22 0.00 -0.87 0.00 0.00 66.00 65.25 2qan h PRO 56 Cb 0.12 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 31.15 2qan h PRO 56 CO -0.16 0.83 0.34 0.00 -0.23 0.00 0.00 178.00 178.78 2qan h ALA 57 N 0.59 1.35 -0.29 -0.56 0.00 -1.92 -0.22 119.26 118.22 2qan h ALA 57 Ca 0.02 0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2qan h ALA 57 Cb 0.78 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2qan h ALA 57 CO 0.05 -0.37 0.17 0.00 0.00 0.00 0.00 179.25 179.10 2qan h ALA 58 N 1.71 0.36 0.42 0.00 0.00 -1.55 -2.23 119.26 117.97 2qan h ALA 58 Ca 0.54 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.43 2qan h ALA 58 Cb 1.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2qan h ALA 58 CO -0.55 -0.21 -0.20 0.82 0.00 0.00 0.00 179.25 179.11 2qan h ILE 59 N 0.35 0.59 -0.73 0.00 2.04 -1.14 0.88 117.51 119.49 2qan h ILE 59 Ca 0.11 -0.01 0.14 0.00 1.00 0.00 0.00 64.86 66.10 2qan h ILE 59 Cb -0.00 0.59 -0.10 0.00 -0.74 0.00 0.00 36.82 36.57 2qan h ILE 59 CO -0.05 0.00 0.26 -0.61 0.00 0.00 0.00 178.15 177.75 2qan h GLN 60 N -0.57 0.38 0.00 2.37 5.75 -1.24 0.10 115.11 121.91 2qan h GLN 60 Ca -0.06 -0.02 -0.09 0.00 -0.15 0.00 0.00 58.65 58.33 2qan h GLN 60 Cb 0.44 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.89 2qan h GLN 60 CO 0.09 0.25 -0.41 1.57 -2.65 0.00 0.00 178.83 177.69 2qan h LYS 61 N 0.39 0.00 0.00 1.69 2.10 -1.26 -2.98 116.57 116.51 2qan h LYS 61 Ca 0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.05 2qan h LYS 61 Cb 0.61 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 2qan h LYS 61 CO -0.41 0.41 0.00 0.00 -2.00 0.00 0.00 179.45 177.45 2qan h ALA 62 N 1.59 1.00 -0.09 0.07 0.00 0.15 -3.20 119.26 118.78 2qan h ALA 62 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2qan h ALA 62 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2qan h ALA 62 CO 0.05 0.00 -0.39 0.52 0.00 0.00 0.00 179.25 179.43 2qan h MET 63 N 0.00 0.41 -0.40 0.00 2.86 -0.76 -2.86 114.93 114.19 2qan h MET 63 Ca 0.00 -0.33 0.08 0.00 -2.06 0.00 0.00 59.70 57.39 2qan h MET 63 Cb 0.84 0.07 -0.08 0.00 0.06 0.00 0.00 31.60 32.49 2qan h MET 63 CO 0.00 0.97 -0.11 1.49 1.06 0.00 0.00 176.91 180.32 2qan h GLU 64 N -0.04 -0.02 -0.74 1.72 4.57 -1.59 0.17 114.58 118.66 2qan h GLU 64 Ca -0.02 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.23 2qan h GLU 64 Cb 1.04 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.58 2qan h GLU 64 CO 0.08 -0.01 0.48 0.87 -1.18 0.00 0.00 179.01 179.25 2qan h LYS 65 N -0.02 0.70 0.18 1.92 1.79 -1.58 0.56 116.57 120.12 2qan h LYS 65 Ca 0.19 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.61 2qan h LYS 65 Cb 0.31 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 2qan h LYS 65 CO -0.42 0.46 -0.09 0.00 -1.08 0.00 0.00 179.45 178.33 2qan h ALA 66 N 1.61 -0.25 -0.18 3.86 0.00 -0.70 -3.29 119.26 120.32 2qan h ALA 66 Ca 0.33 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.07 2qan h ALA 66 Cb 0.34 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 2qan h ALA 66 CO -0.11 -0.37 -0.18 0.00 0.00 0.00 0.00 179.25 178.59 2qan h ARG 67 N -0.79 -0.20 -6.82 0.00 3.08 -0.46 -3.41 114.38 105.78 2qan h ARG 67 Ca -0.03 0.01 -0.51 0.00 0.07 0.00 0.00 59.98 59.53 2qan h ARG 67 Cb 0.52 0.04 0.03 0.00 0.08 0.00 0.00 29.97 30.64 2qan h ARG 67 CO 0.04 -0.13 0.50 1.03 -1.07 0.00 0.00 179.97 180.34 2qan s ARG 68 N -6.13 4.58 -0.41 0.04 1.81 0.16 -4.28 118.95 114.71 2qan s ARG 68 Ca -0.14 1.87 -0.14 0.00 -1.72 0.00 0.00 55.73 55.59 2qan s ARG 68 Cb 0.11 -3.15 0.02 0.00 -0.45 0.00 0.00 34.95 31.48 2qan s ARG 68 CO 0.68 0.13 0.54 0.09 -0.68 0.00 0.00 175.30 176.06 2qan n ASN 69 N 1.08 -7.85 0.00 0.23 4.13 -1.26 -4.75 115.26 106.84 2qan n ASN 69 Ca -0.01 0.60 0.00 0.00 1.68 0.00 0.00 54.58 56.85 2qan n ASN 69 Cb 0.44 -5.31 0.00 0.00 -1.54 0.00 0.00 39.78 33.37 2qan n ASN 69 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 2qan n MET 70 N -0.23 0.00 -3.64 3.52 2.81 -1.26 -4.76 117.12 113.56 2qan n MET 70 Ca 0.11 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.97 2qan n MET 70 Cb 0.42 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.87 2qan n MET 70 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 2qan s ILE 71 N 3.90 0.00 -0.30 2.02 2.07 -0.37 -4.82 121.20 123.70 2qan s ILE 71 Ca 0.00 0.00 -0.06 0.00 -1.41 0.00 0.00 60.65 59.18 2qan s ILE 71 Cb 0.00 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.61 2qan s ILE 71 CO 0.00 0.00 0.06 0.20 -1.91 0.00 0.00 174.94 173.29 2qan s ASN 72 N -0.67 5.02 -0.21 4.50 -0.87 -1.25 -2.64 114.94 118.82 2qan s ASN 72 Ca 0.08 -0.84 -0.06 0.00 -1.57 0.00 0.00 52.86 50.47 2qan s ASN 72 Cb -0.02 -1.83 -0.03 0.00 -0.02 0.00 0.00 41.25 39.35 2qan s ASN 72 CO -0.10 -0.21 0.02 -0.69 -2.57 0.00 0.00 177.10 173.55 2qan s VAL 73 N 1.44 4.04 -0.87 1.60 1.01 -0.68 -5.00 120.40 121.95 2qan s VAL 73 Ca 0.01 -0.28 -0.25 0.00 0.00 0.00 0.00 61.98 61.46 2qan s VAL 73 Cb -0.18 -2.84 -0.11 0.00 0.00 0.00 0.00 36.38 33.25 2qan s VAL 73 CO 0.01 0.41 2.22 0.00 0.00 0.00 0.00 175.10 177.74 2qan s ALA 74 N 1.11 1.03 -0.36 5.51 0.00 -1.26 -4.63 121.76 123.15 2qan s ALA 74 Ca 0.03 -1.14 -0.19 0.00 0.00 0.00 0.00 51.96 50.66 2qan s ALA 74 Cb -0.14 -4.59 0.00 0.00 0.00 0.00 0.00 23.12 18.39 2qan s ALA 74 CO 0.02 -5.63 0.58 -0.51 0.00 0.00 0.00 175.76 170.22 2qan s LEU 75 N 13.32 4.32 -0.50 0.00 1.43 -1.26 -4.46 118.68 131.54 2qan s LEU 75 Ca 0.83 0.03 -0.29 0.00 -1.03 0.00 0.00 54.13 53.67 2qan s LEU 75 Cb -0.10 -2.68 0.03 0.00 0.03 0.00 0.00 46.19 43.47 2qan s LEU 75 CO 0.06 -0.55 1.21 0.21 0.23 0.00 0.00 176.35 177.51 2qan s ASN 76 N 1.79 6.51 0.58 2.29 2.47 -1.19 -4.74 114.94 122.65 2qan s ASN 76 Ca 0.21 0.41 0.00 0.00 0.42 0.00 0.00 52.86 53.91 2qan s ASN 76 Cb -0.15 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.10 2qan s ASN 76 CO 0.14 -1.37 0.00 -3.20 -3.72 0.00 0.00 177.10 168.95 2qan n ASN 77 N 8.25 0.00 0.00 -4.21 2.85 -1.26 -2.07 115.26 118.82 2qan n ASN 77 Ca 0.12 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.59 2qan n ASN 77 Cb 0.49 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.51 2qan n ASN 77 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2qan n GLY 78 N 0.00 0.60 0.00 8.20 0.00 -1.26 -4.99 105.19 107.74 2qan n GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qan n GLY 78 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2qan n THR 79 N -0.01 0.00 -3.10 2.61 5.66 -0.88 0.38 114.28 118.94 2qan n THR 79 Ca 0.00 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.68 2qan n THR 79 Cb 0.20 -0.16 -0.06 0.00 -1.55 0.00 0.00 70.33 68.76 2qan n THR 79 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2qan s LEU 80 N 0.00 4.03 0.48 1.09 1.43 -1.26 -3.15 118.68 121.30 2qan s LEU 80 Ca 0.00 1.26 0.14 0.00 -1.03 0.00 0.00 54.13 54.49 2qan s LEU 80 Cb 0.00 -4.07 1.11 0.00 0.03 0.00 0.00 46.19 43.26 2qan s LEU 80 CO 0.00 -0.23 2.08 -0.61 0.23 0.00 0.00 176.35 177.82 2qan h GLN 81 N 2.12 0.09 -1.69 1.70 5.75 -1.87 -3.43 115.11 117.79 2qan h GLN 81 Ca -0.48 -0.01 0.27 0.00 -0.15 0.00 0.00 58.65 58.28 2qan h GLN 81 Cb 1.18 -0.02 -0.13 0.00 1.07 0.00 0.00 27.48 29.58 2qan h GLN 81 CO 0.65 0.12 0.73 -3.38 -2.65 0.00 0.00 178.83 174.31 2qan s HIS 82 N -4.99 -0.10 0.08 3.99 -3.43 -1.26 -5.00 115.29 104.58 2qan s HIS 82 Ca -0.05 -0.03 -0.31 0.00 -0.80 0.00 0.00 55.06 53.87 2qan s HIS 82 Cb 0.17 0.56 -0.09 0.00 -1.43 0.00 0.00 32.58 31.78 2qan s HIS 82 CO 0.69 -0.38 1.69 -1.25 -2.00 0.00 0.00 174.74 173.49 2qan s PRO 83 N -2.64 4.18 0.54 -0.38 0.04 -1.26 -4.63 135.00 130.85 2qan s PRO 83 Ca 0.12 2.40 0.04 0.00 0.04 0.00 0.00 61.00 63.59 2qan s PRO 83 Cb 0.02 -3.59 0.03 0.00 0.04 0.00 0.00 34.50 31.00 2qan s PRO 83 CO -0.03 -0.76 0.26 0.14 0.04 0.00 0.00 177.00 176.65 2qan s VAL 84 N 2.63 1.40 -0.42 -0.36 -7.23 0.97 -4.98 120.40 112.42 2qan s VAL 84 Ca 0.76 -1.68 0.09 0.00 -1.81 0.00 0.00 61.98 59.34 2qan s VAL 84 Cb -0.41 -2.08 0.35 0.00 0.56 0.00 0.00 36.38 34.80 2qan s VAL 84 CO 0.33 0.00 1.03 1.17 -0.31 0.00 0.00 175.10 177.32 2qan n LYS 85 N -1.61 1.04 -0.50 4.82 4.81 -1.26 -1.92 118.16 123.54 2qan n LYS 85 Ca -0.09 -2.42 -0.29 0.00 -0.87 0.00 0.00 58.31 54.65 2qan n LYS 85 Cb 0.65 -1.11 0.25 0.00 0.02 0.00 0.00 35.03 34.84 2qan n LYS 85 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qan n GLY 86 N 0.18 -1.97 3.56 3.14 0.00 -0.89 -4.71 105.19 104.50 2qan n GLY 86 Ca 0.10 -1.12 -0.08 0.00 0.00 0.00 0.00 46.02 44.93 2qan n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qan s VAL 87 N -2.40 0.00 -0.29 1.61 0.11 -1.25 -1.22 120.40 116.96 2qan s VAL 87 Ca 0.68 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 59.52 2qan s VAL 87 Cb -0.24 -1.00 0.13 0.00 -1.53 0.00 0.00 36.38 33.74 2qan s VAL 87 CO 0.65 0.00 0.99 -2.28 -3.33 0.00 0.00 175.10 171.13 2qan s HIS 88 N -2.22 -0.55 0.00 1.54 2.46 -0.76 -4.79 115.29 110.97 2qan s HIS 88 Ca 0.04 1.21 0.00 0.00 0.47 0.00 0.00 55.06 56.78 2qan s HIS 88 Cb -0.01 0.37 0.00 0.00 -0.13 0.00 0.00 32.58 32.81 2qan s HIS 88 CO -0.05 -0.27 0.00 2.41 -2.47 0.00 0.00 174.74 174.36 2qan n THR 89 N 2.97 0.00 -0.29 0.89 -1.04 -1.26 -1.60 114.28 113.95 2qan n THR 89 Ca -0.15 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 61.89 2qan n THR 89 Cb 0.57 0.00 0.26 0.00 -1.82 0.00 0.00 70.33 69.34 2qan n THR 89 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qan n GLY 90 N 0.00 2.59 3.25 3.41 0.00 -1.26 -4.82 105.19 108.36 2qan n GLY 90 Ca 0.00 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 2qan n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qan s SER 91 N -0.52 5.25 -0.18 1.61 0.15 -0.63 0.27 113.70 119.65 2qan s SER 91 Ca 0.37 -1.19 -0.10 0.00 0.70 0.00 0.00 55.95 55.73 2qan s SER 91 Cb 0.28 -1.84 -0.05 0.00 -1.71 0.00 0.00 66.02 62.70 2qan s SER 91 CO 0.10 -0.32 0.14 -0.13 1.20 0.00 0.00 173.24 174.23 2qan s ARG 92 N 1.37 4.02 -0.02 5.44 1.81 0.14 -1.83 118.95 129.88 2qan s ARG 92 Ca -0.02 -0.18 0.04 0.00 -1.72 0.00 0.00 55.73 53.86 2qan s ARG 92 Cb -0.20 -3.37 -0.01 0.00 -0.45 0.00 0.00 34.95 30.93 2qan s ARG 92 CO 0.02 0.41 -0.15 0.08 -0.68 0.00 0.00 175.30 174.98 2qan s VAL 93 N 0.03 1.23 -0.21 3.52 1.01 -0.35 -0.16 120.40 125.48 2qan s VAL 93 Ca 0.10 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.45 2qan s VAL 93 Cb -0.11 -1.04 0.04 0.00 0.00 0.00 0.00 36.38 35.27 2qan s VAL 93 CO -0.00 0.35 -0.12 0.12 0.00 0.00 0.00 175.10 175.45 2qan s PHE 94 N -0.21 2.63 -0.12 5.22 2.19 -1.13 -2.09 117.98 124.47 2qan s PHE 94 Ca 0.03 -1.74 -0.02 0.00 0.33 0.00 0.00 56.93 55.53 2qan s PHE 94 Cb -0.08 -1.74 -0.03 0.00 -1.31 0.00 0.00 43.02 39.87 2qan s PHE 94 CO 0.00 -0.78 -0.05 1.41 1.83 0.00 0.00 175.22 177.63 2qan s MET 95 N 1.33 3.30 -0.03 10.12 1.75 -0.81 -1.29 119.30 133.67 2qan s MET 95 Ca -0.02 -0.53 0.01 0.00 -1.25 0.00 0.00 55.69 53.90 2qan s MET 95 Cb -0.16 -2.78 0.02 0.00 2.84 0.00 0.00 34.83 34.74 2qan s MET 95 CO -0.08 0.42 -0.03 -1.14 -0.65 0.00 0.00 175.02 173.54 2qan s GLN 96 N -0.13 0.50 0.12 4.11 0.74 -1.26 -0.02 119.66 123.73 2qan s GLN 96 Ca 0.02 -0.05 -0.31 0.00 0.05 0.00 0.00 55.36 55.07 2qan s GLN 96 Cb -0.13 -0.57 -0.09 0.00 1.10 0.00 0.00 33.01 33.32 2qan s GLN 96 CO 0.03 -0.05 1.55 -1.25 -0.55 0.00 0.00 175.29 175.02 2qan s PRO 97 N 0.67 4.23 0.44 1.67 0.04 -1.26 -1.84 135.00 138.95 2qan s PRO 97 Ca -0.08 2.29 0.08 0.00 0.04 0.00 0.00 61.00 63.33 2qan s PRO 97 Cb -0.11 -3.31 0.01 0.00 0.04 0.00 0.00 34.50 31.13 2qan s PRO 97 CO -0.01 -0.61 0.54 0.00 0.04 0.00 0.00 177.00 176.96 2qan s ALA 98 N 1.61 4.42 0.80 8.56 0.00 -0.77 -4.81 121.76 131.57 2qan s ALA 98 Ca 0.70 -1.77 -0.11 0.00 0.00 0.00 0.00 51.96 50.78 2qan s ALA 98 Cb -0.41 -1.41 0.07 0.00 0.00 0.00 0.00 23.12 21.37 2qan s ALA 98 CO 0.31 -0.33 1.10 0.45 0.00 0.00 0.00 175.76 177.28 2qan s SER 99 N -4.32 4.47 -0.31 0.00 0.15 -1.26 -4.75 113.70 107.67 2qan s SER 99 Ca 0.53 1.33 -0.28 0.00 0.70 0.00 0.00 55.95 58.23 2qan s SER 99 Cb -0.07 -2.06 -0.03 0.00 -1.71 0.00 0.00 66.02 62.15 2qan s SER 99 CO 0.32 -1.98 1.90 -1.61 1.20 0.00 0.00 173.24 173.07 2qan s GLU 100 N -5.14 3.26 0.00 5.44 2.02 -1.26 -1.86 118.70 121.16 2qan s GLU 100 Ca 0.61 1.55 0.00 0.00 0.02 0.00 0.00 54.97 57.15 2qan s GLU 100 Cb -0.15 -4.25 0.00 0.00 0.10 0.00 0.00 34.13 29.84 2qan s GLU 100 CO 0.54 -1.95 0.00 0.41 0.02 0.00 0.00 175.26 174.29 2qan n GLY 101 N 5.51 1.19 0.28 -1.39 0.00 -1.26 -4.96 105.19 104.56 2qan n GLY 101 Ca 0.25 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.40 2qan n GLY 101 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qan h THR 102 N 0.00 0.61 0.00 2.61 2.02 -1.71 -3.49 112.91 112.96 2qan h THR 102 Ca 0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 2qan h THR 102 Cb 0.00 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 2qan h THR 102 CO 0.00 0.05 0.00 0.61 0.37 0.00 0.00 175.52 176.55 2qan n GLY 103 N -1.12 -2.31 3.57 2.16 0.00 -1.25 -4.78 105.19 101.45 2qan n GLY 103 Ca -0.03 -1.48 -0.43 0.00 0.00 0.00 0.00 46.02 44.09 2qan n GLY 103 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2qan s ILE 104 N -2.68 4.23 -0.60 -0.61 2.07 -0.80 -2.96 121.20 119.86 2qan s ILE 104 Ca 0.00 0.85 -0.05 0.00 -1.41 0.00 0.00 60.65 60.04 2qan s ILE 104 Cb 0.00 -4.60 0.16 0.00 0.13 0.00 0.00 42.46 38.15 2qan s ILE 104 CO 0.00 -1.11 0.44 -0.63 -1.91 0.00 0.00 174.94 171.73 2qan s ILE 105 N 4.39 3.95 0.14 2.00 1.01 -0.48 -4.96 121.20 127.25 2qan s ILE 105 Ca 0.41 -2.64 -0.07 0.00 0.00 0.00 0.00 60.65 58.35 2qan s ILE 105 Cb -0.09 -3.57 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 2qan s ILE 105 CO 0.26 -0.86 0.21 0.00 0.00 0.00 0.00 174.94 174.55 2qan s ALA 106 N 0.30 0.19 1.00 9.38 0.00 -1.26 -2.28 121.76 129.09 2qan s ALA 106 Ca 0.14 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.10 2qan s ALA 106 Cb -0.20 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.72 2qan s ALA 106 CO -0.04 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.55 2qan n GLY 107 N -0.16 -1.99 0.00 0.00 0.00 -1.26 -4.54 105.19 97.24 2qan n GLY 107 Ca -0.08 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.64 2qan n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qan n GLY 108 N 2.06 -2.34 0.41 -0.02 0.00 -1.26 -2.80 105.19 101.24 2qan n GLY 108 Ca 0.00 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.25 2qan n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qan h ALA 109 N -2.00 2.48 0.12 4.61 0.00 -1.93 -2.67 119.26 119.86 2qan h ALA 109 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2qan h ALA 109 Cb 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2qan h ALA 109 CO 0.00 -0.81 -0.43 0.52 0.00 0.00 0.00 179.25 178.53 2qan h MET 110 N 0.00 -0.60 -0.52 0.00 2.07 -1.92 -2.99 114.93 110.97 2qan h MET 110 Ca 0.29 0.04 -0.02 0.00 -2.07 0.00 0.00 59.70 57.94 2qan h MET 110 Cb 1.28 0.14 -0.02 0.00 -1.87 0.00 0.00 31.60 31.12 2qan h MET 110 CO -0.00 -0.40 0.23 0.07 1.07 0.00 0.00 176.91 177.88 2qan h ARG 111 N -0.62 0.76 -0.98 1.72 0.11 -1.31 -2.92 114.38 111.14 2qan h ARG 111 Ca -0.01 -0.12 0.32 0.00 0.10 0.00 0.00 59.98 60.27 2qan h ARG 111 Cb 0.62 -0.13 -0.18 0.00 1.11 0.00 0.00 29.97 31.39 2qan h ARG 111 CO -0.22 0.65 0.22 0.00 0.10 0.00 0.00 179.97 180.72 2qan n ALA 112 N -2.33 0.70 0.07 0.08 0.00 -1.14 0.01 120.51 117.91 2qan n ALA 112 Ca 0.02 1.03 -0.20 0.00 0.00 0.00 0.00 53.44 54.29 2qan n ALA 112 Cb 0.13 -0.86 -0.15 0.00 0.00 0.00 0.00 19.45 18.58 2qan n ALA 112 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2qan h VAL 113 N 0.00 1.05 0.00 0.00 -1.51 -1.49 -3.30 116.25 111.00 2qan h VAL 113 Ca 0.69 -2.66 -0.05 0.00 -1.23 0.00 0.00 66.70 63.45 2qan h VAL 113 Cb 1.61 2.77 -0.01 0.00 -2.13 0.00 0.00 31.29 33.53 2qan h VAL 113 CO -0.85 0.83 -0.23 -0.07 -1.23 0.00 0.00 177.57 176.02 2qan h LEU 114 N 0.09 0.00 0.10 4.19 3.38 -0.60 -0.61 115.31 121.86 2qan h LEU 114 Ca -0.29 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 2qan h LEU 114 Cb 2.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.81 2qan h LEU 114 CO 0.17 0.23 -0.05 -0.08 0.09 0.00 0.00 178.44 178.81 2qan h GLU 115 N 0.00 -0.13 0.00 1.13 4.22 -0.53 -1.93 114.58 117.34 2qan h GLU 115 Ca -0.00 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 2qan h GLU 115 Cb 0.45 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 2qan h GLU 115 CO 0.03 0.36 -0.06 -0.39 -2.18 0.00 0.00 179.01 176.77 2qan h VAL 116 N -0.72 0.14 0.00 0.32 -1.51 -1.62 -2.93 116.25 109.93 2qan h VAL 116 Ca -0.01 -0.78 -0.05 0.00 -1.23 0.00 0.00 66.70 64.62 2qan h VAL 116 Cb 0.55 1.69 -0.01 0.00 -2.13 0.00 0.00 31.29 31.39 2qan h VAL 116 CO 0.02 0.06 -0.25 0.00 -1.23 0.00 0.00 177.57 176.17 2qan h ALA 117 N 1.94 1.18 0.00 5.19 0.00 -1.13 -2.50 119.26 123.94 2qan h ALA 117 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2qan h ALA 117 Cb 0.68 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2qan h ALA 117 CO 0.01 0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.98 2qan n GLY 118 N -0.26 0.98 3.75 0.00 0.00 -1.11 -3.50 105.19 105.06 2qan n GLY 118 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2qan n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qan s VAL 119 N -2.00 3.46 0.00 1.61 1.01 -0.73 -4.76 120.40 119.00 2qan s VAL 119 Ca 0.00 1.41 0.00 0.00 0.00 0.00 0.00 61.98 63.39 2qan s VAL 119 Cb 0.00 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.48 2qan s VAL 119 CO 0.00 0.31 0.00 1.41 0.00 0.00 0.00 175.10 176.82 2qan n HIS 120 N 1.50 0.00 -3.60 5.22 -0.00 0.16 -4.41 115.22 114.09 2qan n HIS 120 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.43 2qan n HIS 120 Cb 0.45 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 30.29 2qan n HIS 120 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 2qan s ASN 121 N -2.16 3.60 -0.20 0.41 0.01 -1.22 -1.90 114.94 113.48 2qan s ASN 121 Ca 0.00 -1.69 -0.14 0.00 -0.71 0.00 0.00 52.86 50.32 2qan s ASN 121 Cb 0.00 -0.58 0.06 0.00 0.41 0.00 0.00 41.25 41.14 2qan s ASN 121 CO 0.00 -0.39 0.51 0.68 -1.51 0.00 0.00 177.10 176.39 2qan s VAL 122 N 1.60 -0.01 -0.80 1.60 -7.23 -1.15 -1.84 120.40 112.57 2qan s VAL 122 Ca 0.12 0.04 -0.05 0.00 -1.81 0.00 0.00 61.98 60.27 2qan s VAL 122 Cb -0.18 -0.74 0.20 0.00 0.56 0.00 0.00 36.38 36.22 2qan s VAL 122 CO -0.23 0.01 0.67 -1.48 -0.31 0.00 0.00 175.10 173.77 2qan s LEU 123 N 1.01 5.70 0.01 1.32 0.05 -0.76 -1.39 118.68 124.62 2qan s LEU 123 Ca -0.06 -3.21 0.02 0.00 0.05 0.00 0.00 54.13 50.93 2qan s LEU 123 Cb -0.06 -1.96 -0.04 0.00 -2.05 0.00 0.00 46.19 42.08 2qan s LEU 123 CO -0.09 -0.33 0.01 0.00 -0.55 0.00 0.00 176.35 175.39 2qan s ALA 124 N -0.60 3.31 -0.16 1.48 0.00 -0.97 -3.99 121.76 120.84 2qan s ALA 124 Ca 0.22 -0.96 -0.00 0.00 0.00 0.00 0.00 51.96 51.21 2qan s ALA 124 Cb -0.13 -1.35 0.04 0.00 0.00 0.00 0.00 23.12 21.68 2qan s ALA 124 CO -0.08 0.66 -0.07 0.21 0.00 0.00 0.00 175.76 176.48 2qan s LYS 125 N -1.67 1.57 0.09 0.00 2.47 -0.41 -4.35 119.74 117.43 2qan s LYS 125 Ca 0.21 -0.50 -0.05 0.00 -1.56 0.00 0.00 55.97 54.06 2qan s LYS 125 Cb -0.12 -1.97 -0.05 0.00 -1.46 0.00 0.00 37.83 34.23 2qan s LYS 125 CO 0.12 -0.39 0.33 0.00 0.16 0.00 0.00 175.35 175.57 2qan s ALA 126 N 1.61 3.82 0.12 3.13 0.00 -1.26 -2.84 121.76 126.33 2qan s ALA 126 Ca 0.02 -0.57 -0.14 0.00 0.00 0.00 0.00 51.96 51.27 2qan s ALA 126 Cb -0.15 -2.10 0.03 0.00 0.00 0.00 0.00 23.12 20.90 2qan s ALA 126 CO -0.08 0.67 0.34 1.52 0.00 0.00 0.00 175.76 178.21 2qan s TYR 127 N -1.51 -0.11 0.00 0.00 -0.00 0.78 -4.99 117.35 111.52 2qan s TYR 127 Ca 0.36 -0.24 0.00 0.00 -0.00 0.00 0.00 57.07 57.18 2qan s TYR 127 Cb -0.13 0.17 0.00 0.00 -0.00 0.00 0.00 41.96 42.00 2qan s TYR 127 CO 0.22 -0.66 0.00 0.41 -0.00 0.00 0.00 175.55 175.52 2qan n GLY 128 N -0.18 1.24 3.57 5.49 0.00 -1.26 -0.69 105.19 113.35 2qan n GLY 128 Ca -0.16 -0.98 -0.40 0.00 0.00 0.00 0.00 46.02 44.48 2qan n GLY 128 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qan s SER 129 N -4.00 6.21 0.00 1.61 0.15 0.14 -4.93 113.70 112.88 2qan s SER 129 Ca 0.00 -0.03 0.30 0.00 0.70 0.00 0.00 55.95 56.91 2qan s SER 129 Cb 0.00 -2.21 1.46 0.00 -1.71 0.00 0.00 66.02 63.56 2qan s SER 129 CO 0.00 -0.29 1.99 0.35 1.20 0.00 0.00 173.24 176.49 2qan n THR 130 N 5.22 0.00 -1.65 6.45 -2.24 -1.26 -4.45 114.28 116.34 2qan n THR 130 Ca -0.09 -0.04 -0.51 0.00 -2.27 0.00 0.00 64.05 61.14 2qan n THR 130 Cb 0.50 -0.28 -0.06 0.00 -2.10 0.00 0.00 70.33 68.40 2qan n THR 130 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2qan n ASN 131 N -1.01 2.41 0.32 3.42 5.15 -1.26 -4.78 115.26 119.51 2qan n ASN 131 Ca 0.17 1.08 -0.18 0.00 -0.60 0.00 0.00 54.58 55.04 2qan n ASN 131 Cb 0.23 -1.26 -0.10 0.00 -0.53 0.00 0.00 39.78 38.13 2qan n ASN 131 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2qan h PRO 132 N 6.15 -0.99 -1.18 1.20 0.13 -1.98 0.95 132.00 136.28 2qan h PRO 132 Ca -0.47 0.07 0.42 0.00 -0.87 0.00 0.00 66.00 65.15 2qan h PRO 132 Cb 1.30 0.23 -0.13 0.00 0.13 0.00 0.00 31.00 32.53 2qan h PRO 132 CO 0.87 -0.66 0.74 -0.89 -0.23 0.00 0.00 178.00 177.83 2qan n ILE 133 N -5.47 -0.25 -0.07 -3.56 5.41 -1.26 0.03 119.36 114.20 2qan n ILE 133 Ca -0.12 1.64 -0.10 0.00 1.00 0.00 0.00 62.75 65.17 2qan n ILE 133 Cb 0.46 -2.68 -0.15 0.00 -0.71 0.00 0.00 39.64 36.56 2qan n ILE 133 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2qan n ASN 134 N -4.57 0.33 0.45 4.38 3.02 -1.03 -4.03 115.26 113.81 2qan n ASN 134 Ca 0.36 0.15 -0.18 0.00 -0.03 0.00 0.00 54.58 54.88 2qan n ASN 134 Cb 1.36 0.61 -0.08 0.00 -0.61 0.00 0.00 39.78 41.05 2qan n ASN 134 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2qan h VAL 135 N 0.00 0.00 -0.21 2.41 2.07 0.22 -2.00 116.25 118.74 2qan h VAL 135 Ca -0.46 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.05 2qan h VAL 135 Cb 2.16 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.86 2qan h VAL 135 CO 0.05 0.00 -0.40 1.62 0.02 0.00 0.00 177.57 178.85 2qan h VAL 136 N -1.21 0.16 -0.95 2.57 3.04 -1.58 0.61 116.25 118.88 2qan h VAL 136 Ca -0.12 0.00 0.23 0.00 -1.01 0.00 0.00 66.70 65.80 2qan h VAL 136 Cb 0.88 0.16 -0.07 0.00 -2.01 0.00 0.00 31.29 30.25 2qan h VAL 136 CO 0.19 0.00 0.63 -0.09 -1.01 0.00 0.00 177.57 177.30 2qan h ARG 137 N -0.43 0.35 -0.03 4.17 2.43 -1.69 0.42 114.38 119.59 2qan h ARG 137 Ca 0.10 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.10 2qan h ARG 137 Cb 0.60 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 30.08 2qan h ARG 137 CO -0.44 0.23 -0.56 0.00 -1.51 0.00 0.00 179.97 177.70 2qan h ALA 138 N 1.60 0.11 -0.20 2.80 0.00 -0.06 -2.68 119.26 120.83 2qan h ALA 138 Ca 0.51 -0.54 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2qan h ALA 138 Cb 1.35 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 2qan h ALA 138 CO -0.19 0.35 0.03 1.15 0.00 0.00 0.00 179.25 180.59 2qan h THR 139 N -0.04 0.90 -0.35 0.00 2.02 0.29 -1.65 112.91 114.08 2qan h THR 139 Ca -0.06 -0.04 0.05 0.00 0.77 0.00 0.00 66.41 67.14 2qan h THR 139 Cb 1.25 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 68.39 2qan h THR 139 CO 0.11 0.02 0.06 0.40 0.37 0.00 0.00 175.52 176.48 2qan h ILE 140 N 0.11 0.81 -0.32 3.11 2.04 -0.38 -0.70 117.51 122.19 2qan h ILE 140 Ca 0.09 -0.06 0.06 0.00 1.00 0.00 0.00 64.86 65.95 2qan h ILE 140 Cb 0.09 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 2qan h ILE 140 CO -0.13 0.03 0.22 -0.78 0.00 0.00 0.00 178.15 177.49 2qan h ASP 141 N 0.17 0.15 0.60 1.72 1.82 -1.09 -2.57 116.42 117.23 2qan h ASP 141 Ca 0.17 -0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.78 2qan h ASP 141 Cb 0.20 -0.03 0.01 0.00 0.68 0.00 0.00 39.33 40.18 2qan h ASP 141 CO -0.23 0.10 -0.29 1.23 -1.61 0.00 0.00 179.24 178.44 2qan h GLY 142 N 0.17 -0.85 0.80 -0.78 0.00 -0.18 -2.48 103.07 99.76 2qan h GLY 142 Ca 0.14 0.31 0.13 0.00 0.00 0.00 0.00 47.33 47.91 2qan h GLY 142 CO -0.02 -0.31 0.48 1.41 0.00 0.00 0.00 176.54 178.10 2qan h LEU 143 N -0.97 0.00 -0.29 3.11 3.38 -1.13 0.38 115.31 119.79 2qan h LEU 143 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2qan h LEU 143 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2qan h LEU 143 CO 0.14 0.00 0.00 -0.08 0.09 0.00 0.00 178.44 178.59 2qan h GLU 144 N 0.00 0.00 0.12 1.13 4.81 -1.10 -3.27 114.58 116.26 2qan h GLU 144 Ca 0.21 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 59.11 2qan h GLU 144 Cb 1.16 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 2qan h GLU 144 CO -0.00 0.00 -1.70 -0.91 -0.73 0.00 0.00 179.01 175.67 2qan h ASN 145 N 0.00 0.39 -2.35 1.04 2.35 -0.06 -3.46 115.58 113.49 2qan h ASN 145 Ca 0.00 -0.63 -0.54 0.00 -0.55 0.00 0.00 56.30 54.58 2qan h ASN 145 Cb 0.71 -0.13 0.02 0.00 0.05 0.00 0.00 38.32 38.97 2qan h ASN 145 CO 0.00 1.54 1.25 0.00 -1.65 0.00 0.00 177.43 178.57 2qan s MET 146 N -2.59 4.06 -0.11 0.81 0.23 -1.19 -4.98 119.30 115.53 2qan s MET 146 Ca -0.13 2.54 -0.04 0.00 -1.03 0.00 0.00 55.69 57.03 2qan s MET 146 Cb 0.07 -4.17 -0.04 0.00 -1.53 0.00 0.00 34.83 29.16 2qan s MET 146 CO 0.83 -1.05 0.06 0.54 -2.03 0.00 0.00 175.02 173.38 2qan s ASN 147 N 4.70 5.75 0.66 -1.18 2.20 -1.26 -4.70 114.94 121.11 2qan s ASN 147 Ca 0.89 0.28 -0.16 0.00 -0.94 0.00 0.00 52.86 52.92 2qan s ASN 147 Cb -0.41 -1.76 0.00 0.00 -2.00 0.00 0.00 41.25 37.08 2qan s ASN 147 CO 0.40 0.38 1.16 -0.94 -2.94 0.00 0.00 177.10 175.17 2qan s SER 148 N -0.87 4.85 0.27 3.54 1.04 -1.26 -4.84 113.70 116.43 2qan s SER 148 Ca 0.13 2.21 -0.04 0.00 0.48 0.00 0.00 55.95 58.74 2qan s SER 148 Cb -0.12 -2.58 0.36 0.00 0.10 0.00 0.00 66.02 63.79 2qan s SER 148 CO 0.03 -1.81 1.92 1.55 0.98 0.00 0.00 173.24 175.90 2qan h PRO 149 N 0.16 1.20 -0.13 4.02 0.13 -1.99 -0.28 132.00 135.12 2qan h PRO 149 Ca -0.48 -0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 64.54 2qan h PRO 149 Cb 1.27 -0.27 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 2qan h PRO 149 CO 0.53 0.80 -0.10 1.05 -0.23 0.00 0.00 178.00 180.04 2qan h GLU 150 N 1.24 0.20 -0.25 0.86 9.09 -2.00 -1.45 114.58 122.28 2qan h GLU 150 Ca 0.38 -0.04 -0.15 0.00 0.05 0.00 0.00 59.36 59.60 2qan h GLU 150 Cb -0.02 -0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.04 2qan h GLU 150 CO -0.11 0.32 -0.46 1.98 0.05 0.00 0.00 179.01 180.78 2qan h MET 151 N 0.20 0.66 -0.42 1.06 4.05 -1.45 -1.88 114.93 117.16 2qan h MET 151 Ca 0.04 -0.37 -0.05 0.00 -0.28 0.00 0.00 59.70 59.04 2qan h MET 151 Cb 0.31 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.11 2qan h MET 151 CO 0.02 0.98 0.06 0.28 0.23 0.00 0.00 176.91 178.49 2qan h VAL 152 N 0.53 1.20 -0.29 -5.77 2.07 -0.27 -2.09 116.25 111.63 2qan h VAL 152 Ca 0.03 -0.76 -0.15 0.00 0.82 0.00 0.00 66.70 66.65 2qan h VAL 152 Cb 1.01 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 2qan h VAL 152 CO 0.09 0.27 -0.41 0.00 0.02 0.00 0.00 177.57 177.54 2qan h ALA 153 N 1.46 0.72 -0.88 1.67 0.00 -1.04 -2.79 119.26 118.41 2qan h ALA 153 Ca 0.14 -0.45 0.05 0.00 0.00 0.00 0.00 54.91 54.65 2qan h ALA 153 Cb 0.29 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 2qan h ALA 153 CO 0.00 0.66 0.58 0.00 0.00 0.00 0.00 179.25 180.49 2qan h ALA 154 N 0.96 1.50 0.28 0.00 0.00 -0.68 -3.01 119.26 118.30 2qan h ALA 154 Ca 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2qan h ALA 154 Cb 0.95 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2qan h ALA 154 CO 0.09 0.38 -0.13 0.87 0.00 0.00 0.00 179.25 180.46 2qan h LYS 155 N 1.03 -0.36 0.00 0.00 1.57 -1.18 -3.42 116.57 114.21 2qan h LYS 155 Ca 0.37 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 2qan h LYS 155 Cb 0.14 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2qan h LYS 155 CO -0.13 -0.24 0.00 2.89 -0.57 0.00 0.00 179.45 181.40 2qan n ARG 156 N -3.00 1.72 0.00 3.15 0.00 -1.13 -4.71 116.66 112.68 2qan n ARG 156 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 2qan n ARG 156 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.61 2qan n ARG 156 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2qan n GLY 157 N 5.00 0.25 3.92 2.89 0.00 -1.26 -4.86 105.19 111.14 2qan n GLY 157 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.69 2qan n GLY 157 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60