#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1itp n SER 2 N 0.00 -3.29 -0.11 1.61 3.41 -1.26 -4.84 113.62 109.14 1itp n SER 2 Ca 0.00 0.52 -0.21 0.00 -0.26 0.00 0.00 58.87 58.92 1itp n SER 2 Cb 0.00 -1.95 -0.12 0.00 -0.26 0.00 0.00 64.21 61.88 1itp n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1itp n ALA 3 N -2.90 1.26 0.00 7.33 0.00 -1.07 -5.02 120.51 120.11 1itp n ALA 3 Ca -0.03 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.43 1itp n ALA 3 Cb 0.27 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1itp n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1itp n GLY 4 N 1.96 -0.53 3.59 0.00 0.00 -1.24 -3.98 105.19 105.00 1itp n GLY 4 Ca -0.45 -1.06 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 1itp n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1itp s LYS 5 N -1.75 3.95 0.27 1.61 1.02 -1.26 -2.15 119.74 121.43 1itp s LYS 5 Ca 0.00 -0.18 0.08 0.00 0.02 0.00 0.00 55.97 55.89 1itp s LYS 5 Cb 0.00 -3.67 -0.04 0.00 -0.52 0.00 0.00 37.83 33.60 1itp s LYS 5 CO 0.00 -0.24 0.09 -0.06 -0.92 0.00 0.00 175.35 174.22 1itp s PHE 6 N 1.90 2.87 -0.18 3.18 0.40 -0.02 -3.49 117.98 122.62 1itp s PHE 6 Ca 0.10 -0.19 -0.05 0.00 -0.60 0.00 0.00 56.93 56.20 1itp s PHE 6 Cb -0.16 -1.31 0.07 0.00 0.51 0.00 0.00 43.02 42.13 1itp s PHE 6 CO 0.11 0.56 0.10 0.96 0.70 0.00 0.00 175.22 177.65 1itp s ILE 7 N -2.25 -0.11 0.37 0.64 -4.36 -0.94 -2.27 121.20 112.28 1itp s ILE 7 Ca 0.32 -0.21 0.08 0.00 -0.26 0.00 0.00 60.65 60.59 1itp s ILE 7 Cb -0.07 -0.61 -0.04 0.00 1.25 0.00 0.00 42.46 42.99 1itp s ILE 7 CO 0.22 -0.31 0.20 0.68 0.24 0.00 0.00 174.94 175.97 1itp s VAL 8 N 2.15 2.85 0.09 8.37 -7.23 -1.06 -0.61 120.40 124.96 1itp s VAL 8 Ca 0.03 -1.61 -0.01 0.00 -1.81 0.00 0.00 61.98 58.58 1itp s VAL 8 Cb -0.16 -3.00 -0.04 0.00 0.56 0.00 0.00 36.38 33.74 1itp s VAL 8 CO -0.12 -0.11 0.01 -0.63 -0.31 0.00 0.00 175.10 173.94 1itp s ILE 9 N -2.46 0.21 -0.03 -0.62 1.09 0.27 -1.99 121.20 117.67 1itp s ILE 9 Ca 0.40 -1.87 0.06 0.00 -1.10 0.00 0.00 60.65 58.14 1itp s ILE 9 Cb -0.01 -1.78 -0.01 0.00 -1.06 0.00 0.00 42.46 39.60 1itp s ILE 9 CO 0.24 -0.74 -0.20 -0.36 -0.10 0.00 0.00 174.94 173.77 1itp s PHE 10 N -3.95 1.90 1.00 3.97 0.08 0.49 -1.81 117.98 119.66 1itp s PHE 10 Ca 0.15 -0.45 -0.14 0.00 0.12 0.00 0.00 56.93 56.62 1itp s PHE 10 Cb 0.08 -1.24 0.15 0.00 -0.57 0.00 0.00 43.02 41.43 1itp s PHE 10 CO -0.04 -0.10 0.24 0.36 -0.10 0.00 0.00 175.22 175.58 1itp n LYS 11 N 2.79 -2.11 -0.94 0.44 2.85 -1.26 -4.48 118.16 115.45 1itp n LYS 11 Ca -0.16 -0.62 -0.20 0.00 -1.05 0.00 0.00 58.31 56.28 1itp n LYS 11 Cb 0.53 -1.46 0.09 0.00 -0.65 0.00 0.00 35.03 33.53 1itp n LYS 11 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1itp n ASN 12 N -1.06 5.13 0.00 -5.58 5.15 -1.26 -3.89 115.26 113.74 1itp n ASN 12 Ca 0.05 -3.21 0.00 0.00 -0.60 0.00 0.00 54.58 50.82 1itp n ASN 12 Cb 0.37 -0.87 0.00 0.00 -0.53 0.00 0.00 39.78 38.75 1itp n ASN 12 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1itp n ASP 13 N -0.39 2.06 -3.97 1.20 2.03 -1.26 -5.07 116.55 111.15 1itp n ASP 13 Ca 0.41 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 55.36 1itp n ASP 13 Cb 0.97 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 41.39 1itp n ASP 13 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1itp n VAL 14 N -2.52 0.00 -2.81 5.18 3.14 -1.25 -4.93 118.33 115.14 1itp n VAL 14 Ca 0.00 -0.47 -0.25 0.00 -2.96 0.00 0.00 64.34 60.66 1itp n VAL 14 Cb 0.40 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.19 1itp n VAL 14 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1itp s SER 15 N -0.95 5.88 0.05 6.55 1.04 -1.26 -4.96 113.70 120.05 1itp s SER 15 Ca 0.50 0.52 -0.26 0.00 0.48 0.00 0.00 55.95 57.19 1itp s SER 15 Cb -0.40 -1.74 -0.17 0.00 0.10 0.00 0.00 66.02 63.81 1itp s SER 15 CO 0.66 -0.74 1.49 -0.08 0.98 0.00 0.00 173.24 175.56 1itp h GLU 16 N 0.25 -0.32 -0.77 4.02 4.81 -2.00 -0.65 114.58 119.92 1itp h GLU 16 Ca -0.46 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 58.85 1itp h GLU 16 Cb 1.24 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.65 1itp h GLU 16 CO 0.59 -0.09 0.51 0.22 -0.73 0.00 0.00 179.01 179.51 1itp h ASP 17 N -0.50 0.73 -0.33 1.04 3.58 -1.99 -0.82 116.42 118.13 1itp h ASP 17 Ca -0.03 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 1itp h ASP 17 Cb 0.37 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.26 1itp h ASP 17 CO 0.06 0.47 0.19 0.11 -2.88 0.00 0.00 179.24 177.18 1itp h LYS 18 N 0.83 0.46 0.36 0.28 1.57 -1.87 0.21 116.57 118.40 1itp h LYS 18 Ca 0.33 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1itp h LYS 18 Cb 0.24 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1itp h LYS 18 CO -0.11 0.38 -0.45 0.82 -0.57 0.00 0.00 179.45 179.51 1itp h ILE 19 N 0.42 0.11 -0.43 1.86 2.04 0.27 0.36 117.51 122.14 1itp h ILE 19 Ca 0.12 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.07 1itp h ILE 19 Cb 0.05 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.21 1itp h ILE 19 CO -0.02 0.00 0.30 0.03 0.00 0.00 0.00 178.15 178.46 1itp h ARG 20 N -0.85 0.16 0.22 2.37 2.47 -1.19 -2.53 114.38 115.04 1itp h ARG 20 Ca -0.03 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.67 1itp h ARG 20 Cb 0.77 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.06 1itp h ARG 20 CO -0.12 0.11 -0.11 0.93 0.56 0.00 0.00 179.97 181.34 1itp h GLU 21 N 0.17 -0.29 -1.22 0.04 5.08 0.98 -1.72 114.58 117.61 1itp h GLU 21 Ca 0.20 0.02 0.44 0.00 -1.00 0.00 0.00 59.36 59.02 1itp h GLU 21 Cb 0.57 0.07 -0.14 0.00 0.50 0.00 0.00 28.75 29.75 1itp h GLU 21 CO -0.03 -0.19 0.76 2.41 -1.00 0.00 0.00 179.01 180.96 1itp n THR 22 N -3.12 -0.27 0.27 1.13 -1.04 0.11 0.19 114.28 111.55 1itp n THR 22 Ca -0.04 1.74 -0.13 0.00 -2.04 0.00 0.00 64.05 63.58 1itp n THR 22 Cb 0.12 -2.85 -0.07 0.00 -1.82 0.00 0.00 70.33 65.71 1itp n THR 22 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1itp h LYS 23 N 0.00 -0.70 -0.87 -2.82 6.56 -1.38 -2.09 116.57 115.27 1itp h LYS 23 Ca 0.82 0.05 0.02 0.00 -1.06 0.00 0.00 60.65 60.48 1itp h LYS 23 Cb 2.55 0.16 -0.05 0.00 -0.57 0.00 0.00 32.23 34.32 1itp h LYS 23 CO -0.50 -0.40 0.58 -0.44 -2.06 0.00 0.00 179.45 176.62 1itp h ASP 24 N -1.08 0.97 -0.95 0.86 3.32 0.15 -0.25 116.42 119.45 1itp h ASP 24 Ca -0.07 -0.02 0.12 0.00 0.02 0.00 0.00 57.03 57.08 1itp h ASP 24 Cb 0.62 -0.23 -0.08 0.00 0.22 0.00 0.00 39.33 39.86 1itp h ASP 24 CO 0.12 0.69 0.60 -0.33 -1.72 0.00 0.00 179.24 178.60 1itp h GLU 25 N 1.14 0.86 -0.01 3.56 5.08 0.21 0.27 114.58 125.69 1itp h GLU 25 Ca 0.33 -0.05 -0.25 0.00 -1.00 0.00 0.00 59.36 58.39 1itp h GLU 25 Cb -0.06 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.01 1itp h GLU 25 CO -0.08 0.57 -0.99 -0.24 -1.00 0.00 0.00 179.01 177.27 1itp h VAL 26 N 0.89 1.32 -0.04 3.13 3.04 -0.46 0.13 116.25 124.26 1itp h VAL 26 Ca 0.46 -2.29 0.02 0.00 -1.01 0.00 0.00 66.70 63.88 1itp h VAL 26 Cb 0.53 2.36 -0.02 0.00 -2.01 0.00 0.00 31.29 32.15 1itp h VAL 26 CO -0.23 0.70 -0.07 0.40 -1.01 0.00 0.00 177.57 177.36 1itp h ILE 27 N 0.35 0.81 -0.36 3.17 1.08 0.59 1.15 117.51 124.30 1itp h ILE 27 Ca -0.11 0.00 -0.16 0.00 -0.39 0.00 0.00 64.86 64.20 1itp h ILE 27 Cb 1.63 0.81 -0.00 0.00 -3.07 0.00 0.00 36.82 36.19 1itp h ILE 27 CO 0.19 0.00 -0.40 0.00 -0.69 0.00 0.00 178.15 177.24 1itp h ALA 28 N 0.92 0.53 0.02 1.87 0.00 -0.59 -3.33 119.26 118.68 1itp h ALA 28 Ca 0.04 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1itp h ALA 28 Cb 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1itp h ALA 28 CO -0.10 0.65 -0.01 1.49 0.00 0.00 0.00 179.25 181.28 1itp h GLU 29 N 0.72 -0.03 0.00 0.00 4.22 -0.27 -3.49 114.58 115.74 1itp h GLU 29 Ca 0.05 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.49 1itp h GLU 29 Cb 1.00 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1itp h GLU 29 CO 0.10 -0.02 0.00 0.41 -2.18 0.00 0.00 179.01 177.32 1itp n GLY 30 N -0.82 -1.87 3.04 1.92 0.00 0.39 -5.05 105.19 102.80 1itp n GLY 30 Ca -0.00 0.51 -0.37 0.00 0.00 0.00 0.00 46.02 46.16 1itp n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1itp n GLY 31 N -1.46 -3.83 3.32 -0.02 0.00 -0.73 -4.68 105.19 97.79 1itp n GLY 31 Ca 0.00 -0.56 -0.17 0.00 0.00 0.00 0.00 46.02 45.30 1itp n GLY 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1itp s THR 32 N -2.04 1.11 -0.14 2.61 -4.23 0.12 -2.86 115.64 110.21 1itp s THR 32 Ca 0.40 -2.05 0.02 0.00 -1.18 0.00 0.00 61.69 58.89 1itp s THR 32 Cb -0.08 -2.23 0.01 0.00 1.34 0.00 0.00 72.50 71.54 1itp s THR 32 CO 0.75 -0.42 -0.21 -0.63 -0.54 0.00 0.00 174.62 173.57 1itp s ILE 33 N -3.37 2.00 -0.09 2.99 -1.09 -1.26 -1.71 121.20 118.67 1itp s ILE 33 Ca 0.26 -0.94 0.07 0.00 -2.23 0.00 0.00 60.65 57.81 1itp s ILE 33 Cb 0.05 -1.77 -0.11 0.00 -1.58 0.00 0.00 42.46 39.05 1itp s ILE 33 CO 0.07 0.54 0.02 0.35 -1.23 0.00 0.00 174.94 174.68 1itp n THR 34 N 4.11 0.62 -3.72 2.92 -2.24 -1.04 -4.97 114.28 109.96 1itp n THR 34 Ca -0.20 -0.36 -0.11 0.00 -2.27 0.00 0.00 64.05 61.11 1itp n THR 34 Cb 0.51 -0.78 -0.06 0.00 -2.10 0.00 0.00 70.33 67.90 1itp n THR 34 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1itp s ASN 35 N -4.21 -0.13 0.22 3.42 -0.87 -0.59 -5.03 114.94 107.75 1itp s ASN 35 Ca -0.06 -0.31 0.02 0.00 -1.57 0.00 0.00 52.86 50.94 1itp s ASN 35 Cb 0.03 0.40 -0.05 0.00 -0.02 0.00 0.00 41.25 41.61 1itp s ASN 35 CO 0.35 -0.73 0.04 -1.83 -2.57 0.00 0.00 177.10 172.36 1itp s GLU 36 N -3.28 1.29 -0.41 -0.60 1.03 -1.26 -0.29 118.70 115.18 1itp s GLU 36 Ca -0.00 -1.66 0.02 0.00 0.03 0.00 0.00 54.97 53.36 1itp s GLU 36 Cb 0.01 -0.36 0.12 0.00 -0.80 0.00 0.00 34.13 33.10 1itp s GLU 36 CO -0.08 -0.19 0.17 0.71 -1.33 0.00 0.00 175.26 174.55 1itp s TYR 37 N -3.63 2.58 -1.15 4.83 2.02 0.13 -4.85 117.35 117.28 1itp s TYR 37 Ca 0.31 -2.58 -0.09 0.00 -0.37 0.00 0.00 57.07 54.33 1itp s TYR 37 Cb 0.07 -2.29 0.25 0.00 -0.40 0.00 0.00 41.96 39.58 1itp s TYR 37 CO 0.09 -0.83 1.33 0.27 -1.57 0.00 0.00 175.55 174.84 1itp n ASN 38 N 3.87 5.56 -4.68 2.29 0.23 -1.26 -2.48 115.26 118.80 1itp n ASN 38 Ca 0.05 -3.09 -0.27 0.00 -0.53 0.00 0.00 54.58 50.73 1itp n ASN 38 Cb 0.37 -1.42 -0.08 0.00 -2.08 0.00 0.00 39.78 36.58 1itp n ASN 38 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 1itp s MET 39 N -0.67 2.46 0.37 -3.83 -1.94 -0.20 -5.02 119.30 110.47 1itp s MET 39 Ca 0.35 -1.04 0.20 0.00 -1.71 0.00 0.00 55.69 53.48 1itp s MET 39 Cb -0.04 -2.41 0.54 0.00 2.01 0.00 0.00 34.83 34.93 1itp s MET 39 CO -0.02 0.47 1.66 -1.00 -0.01 0.00 0.00 175.02 176.12 1itp h PRO 40 N 2.82 0.00 -0.00 2.03 0.13 -2.04 -3.13 132.00 131.81 1itp h PRO 40 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1itp h PRO 40 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1itp h PRO 40 CO 0.59 0.34 -0.67 0.41 -0.23 0.00 0.00 178.00 178.44 1itp n GLY 41 N 0.59 -0.37 3.01 1.56 0.00 -1.26 -4.97 105.19 103.75 1itp n GLY 41 Ca 0.01 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 1itp n GLY 41 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1itp s MET 42 N -2.36 0.23 -0.34 1.61 -2.45 -1.18 -5.10 119.30 109.70 1itp s MET 42 Ca 0.06 -0.04 -0.01 0.00 -1.25 0.00 0.00 55.69 54.45 1itp s MET 42 Cb 0.11 0.10 0.13 0.00 1.25 0.00 0.00 34.83 36.42 1itp s MET 42 CO 0.59 -0.04 0.19 0.15 1.05 0.00 0.00 175.02 176.96 1itp s LYS 43 N -0.41 0.52 0.04 4.11 -0.14 -1.26 -1.03 119.74 121.57 1itp s LYS 43 Ca -0.05 -1.20 0.00 0.00 -1.36 0.00 0.00 55.97 53.37 1itp s LYS 43 Cb -0.03 -1.35 -0.00 0.00 -1.68 0.00 0.00 37.83 34.76 1itp s LYS 43 CO 0.00 -1.16 0.05 0.41 -0.76 0.00 0.00 175.35 173.89 1itp n GLY 44 N 4.29 3.24 3.50 -3.33 0.00 -1.03 -0.38 105.19 111.47 1itp n GLY 44 Ca 0.08 -1.47 -0.10 0.00 0.00 0.00 0.00 46.02 44.53 1itp n GLY 44 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1itp s PHE 45 N -4.16 -0.19 0.06 1.61 -0.12 -0.84 0.21 117.98 114.54 1itp s PHE 45 Ca 0.04 -0.13 0.04 0.00 -0.05 0.00 0.00 56.93 56.83 1itp s PHE 45 Cb -0.00 0.42 -0.03 0.00 -0.63 0.00 0.00 43.02 42.78 1itp s PHE 45 CO 0.03 -0.90 -0.12 0.00 -0.05 0.00 0.00 175.22 174.17 1itp s ALA 46 N -3.85 1.01 0.00 1.99 0.00 0.60 -2.57 121.76 118.94 1itp s ALA 46 Ca 0.07 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.13 1itp s ALA 46 Cb -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.04 1itp s ALA 46 CO -0.05 0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.25 1itp n GLY 47 N 1.45 -0.59 3.65 0.00 0.00 -0.96 -1.55 105.19 107.18 1itp n GLY 47 Ca -0.21 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 44.80 1itp n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1itp s GLU 48 N -0.52 4.06 0.02 1.61 0.41 -0.69 -0.84 118.70 122.74 1itp s GLU 48 Ca 0.00 -0.22 0.00 0.00 -0.41 0.00 0.00 54.97 54.34 1itp s GLU 48 Cb 0.00 -3.57 -0.00 0.00 -1.78 0.00 0.00 34.13 28.78 1itp s GLU 48 CO 0.00 -0.01 0.01 1.28 -0.49 0.00 0.00 175.26 176.05 1itp n LEU 49 N 4.50 0.00 0.00 1.80 4.32 -0.92 0.10 117.00 126.81 1itp n LEU 49 Ca -0.14 -0.15 -0.07 0.00 -0.02 0.00 0.00 56.01 55.63 1itp n LEU 49 Cb 0.52 0.05 -0.01 0.00 -1.62 0.00 0.00 43.42 42.35 1itp n LEU 49 CO 0.35 -0.02 0.09 0.41 -1.22 0.00 0.00 177.39 177.00 1itp n THR 50 N -0.05 0.00 0.06 -5.08 -1.04 -1.26 -2.61 114.28 104.30 1itp n THR 50 Ca -0.00 -0.80 -0.12 0.00 -2.04 0.00 0.00 64.05 61.08 1itp n THR 50 Cb 0.03 0.51 -0.02 0.00 -1.82 0.00 0.00 70.33 69.02 1itp n THR 50 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1itp h PRO 51 N 0.00 0.42 0.59 -2.82 0.13 -1.98 -2.31 132.00 126.03 1itp h PRO 51 Ca -0.13 -0.41 -0.03 0.00 -0.87 0.00 0.00 66.00 64.56 1itp h PRO 51 Cb 0.55 0.11 0.01 0.00 0.13 0.00 0.00 31.00 31.80 1itp h PRO 51 CO 0.17 1.07 -0.29 1.96 -0.23 0.00 0.00 178.00 180.68 1itp h GLN 52 N 0.26 -0.77 -0.58 0.86 4.20 -2.01 -2.87 115.11 114.20 1itp h GLN 52 Ca -0.06 0.05 0.12 0.00 0.06 0.00 0.00 58.65 58.82 1itp h GLN 52 Cb 1.48 0.17 -0.03 0.00 0.30 0.00 0.00 27.48 29.41 1itp h GLN 52 CO 0.15 -0.47 0.40 0.77 -0.67 0.00 0.00 178.83 179.01 1itp h SER 53 N -1.12 0.23 0.00 1.46 0.02 -1.98 -2.69 113.55 109.48 1itp h SER 53 Ca -0.08 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1itp h SER 53 Cb 0.66 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.16 1itp h SER 53 CO 0.13 0.13 0.00 0.18 -1.14 0.00 0.00 176.83 176.13 1itp n LEU 54 N -4.44 0.00 -0.66 5.07 4.77 -0.87 -1.65 117.00 119.22 1itp n LEU 54 Ca 0.10 0.68 0.50 0.00 -0.03 0.00 0.00 56.01 57.27 1itp n LEU 54 Cb 0.47 -0.18 0.79 0.00 -2.33 0.00 0.00 43.42 42.17 1itp n LEU 54 CO 0.35 -0.18 1.43 0.41 -1.33 0.00 0.00 177.39 178.06 1itp n THR 55 N -1.25 -0.07 0.01 -5.08 -1.04 -1.10 0.20 114.28 105.96 1itp n THR 55 Ca 0.00 1.58 -0.03 0.00 -2.04 0.00 0.00 64.05 63.55 1itp n THR 55 Cb 0.00 -2.62 -0.02 0.00 -1.82 0.00 0.00 70.33 65.87 1itp n THR 55 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1itp h LYS 56 N 0.00 -0.14 0.10 -2.82 3.11 -0.98 -2.37 116.57 113.47 1itp h LYS 56 Ca 0.93 0.01 -0.36 0.00 -2.81 0.00 0.00 60.65 58.42 1itp h LYS 56 Cb 3.56 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 34.80 1itp h LYS 56 CO -0.13 -0.09 -2.00 1.97 -2.81 0.00 0.00 179.45 176.39 1itp n PHE 57 N -3.16 1.11 -0.00 1.91 1.16 0.39 -3.95 117.46 114.93 1itp n PHE 57 Ca -0.02 0.25 -0.00 0.00 -1.87 0.00 0.00 57.45 55.81 1itp n PHE 57 Cb 0.09 -1.14 -0.00 0.00 -1.61 0.00 0.00 39.48 36.81 1itp n PHE 57 CO 0.00 0.00 0.00 0.37 -1.87 0.00 0.00 176.76 175.26 1itp h GLN 58 N -0.02 -0.00 -0.13 3.97 4.15 0.22 0.36 115.11 123.65 1itp h GLN 58 Ca -0.44 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.02 1itp h GLN 58 Cb 1.97 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.65 1itp h GLN 58 CO 0.04 -0.00 0.50 0.78 -1.93 0.00 0.00 178.83 178.22 1itp h GLY 59 N -0.00 0.00 -2.55 2.39 0.00 -1.53 1.48 103.07 102.86 1itp h GLY 59 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1itp h GLY 59 CO -0.00 0.00 0.08 -0.10 0.00 0.00 0.00 176.54 176.52 1itp n LEU 60 N -3.01 3.92 -4.48 3.11 7.94 0.12 -4.94 117.00 119.66 1itp n LEU 60 Ca 0.01 -2.01 -0.29 0.00 -1.11 0.00 0.00 56.01 52.62 1itp n LEU 60 Cb 0.58 -0.62 0.24 0.00 0.53 0.00 0.00 43.42 44.15 1itp n LEU 60 CO 0.15 0.53 0.45 0.00 -1.11 0.00 0.00 177.39 177.41 1itp n GLN 61 N 0.17 -2.16 -1.16 1.96 6.02 0.51 -2.82 117.38 119.90 1itp n GLN 61 Ca 0.19 -0.60 -0.06 0.00 -0.01 0.00 0.00 57.00 56.53 1itp n GLN 61 Cb 0.85 -2.16 -0.02 0.00 1.02 0.00 0.00 30.24 29.93 1itp n GLN 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1itp n GLY 62 N 1.00 0.59 1.21 1.08 0.00 -0.99 -4.69 105.19 103.38 1itp n GLY 62 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1itp n GLY 62 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1itp n ASP 63 N -0.89 0.73 0.00 1.61 2.03 -1.13 -4.91 116.55 113.99 1itp n ASP 63 Ca -0.06 0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.42 1itp n ASP 63 Cb 0.48 -0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 1itp n ASP 63 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1itp n LEU 64 N -3.32 0.72 -4.00 -2.67 -0.00 -1.23 -4.90 117.00 101.61 1itp n LEU 64 Ca 0.00 -0.72 -0.31 0.00 -0.00 0.00 0.00 56.01 54.99 1itp n LEU 64 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.26 1itp n LEU 64 CO 0.00 0.18 -0.46 -0.63 -0.00 0.00 0.00 177.39 176.48 1itp s ILE 65 N -0.26 1.67 0.05 1.47 1.01 -1.26 -4.04 121.20 119.83 1itp s ILE 65 Ca 0.00 -1.06 -0.11 0.00 0.00 0.00 0.00 60.65 59.48 1itp s ILE 65 Cb 0.00 -1.76 -0.33 0.00 0.01 0.00 0.00 42.46 40.38 1itp s ILE 65 CO 0.00 0.14 1.04 -0.78 0.00 0.00 0.00 174.94 175.34 1itp h ASP 66 N 7.96 0.67 -4.81 3.58 3.58 -1.62 -2.63 116.42 123.15 1itp h ASP 66 Ca -0.27 -0.73 -0.09 0.00 0.42 0.00 0.00 57.03 56.36 1itp h ASP 66 Cb 1.09 -0.22 -0.20 0.00 1.72 0.00 0.00 39.33 41.72 1itp h ASP 66 CO 0.47 1.57 -0.09 -0.44 -2.88 0.00 0.00 179.24 177.87 1itp s SER 67 N -7.40 -0.41 -0.03 2.28 0.01 -1.25 -4.91 113.70 101.98 1itp s SER 67 Ca -0.07 0.46 0.02 0.00 1.31 0.00 0.00 55.95 57.67 1itp s SER 67 Cb 0.05 0.51 0.01 0.00 0.21 0.00 0.00 66.02 66.81 1itp s SER 67 CO 0.92 -0.46 -0.06 -0.51 0.41 0.00 0.00 173.24 173.54 1itp s ILE 68 N -1.01 0.61 -0.53 1.44 2.07 -1.26 -0.57 121.20 121.95 1itp s ILE 68 Ca -0.10 -0.22 0.04 0.00 -1.41 0.00 0.00 60.65 58.96 1itp s ILE 68 Cb -0.03 -0.59 0.17 0.00 0.13 0.00 0.00 42.46 42.14 1itp s ILE 68 CO 0.06 0.22 0.39 -0.70 -1.91 0.00 0.00 174.94 173.00 1itp s GLU 69 N 0.55 1.57 0.13 3.50 2.12 0.22 -5.01 118.70 121.78 1itp s GLU 69 Ca -0.08 -2.60 -0.30 0.00 0.36 0.00 0.00 54.97 52.35 1itp s GLU 69 Cb -0.11 -2.31 -0.07 0.00 0.26 0.00 0.00 34.13 31.90 1itp s GLU 69 CO 0.00 -1.33 1.12 -1.83 -0.54 0.00 0.00 175.26 172.69 1itp s GLU 70 N -0.53 4.54 -0.06 4.30 4.04 -1.26 -2.21 118.70 127.52 1itp s GLU 70 Ca 0.28 1.72 0.11 0.00 0.04 0.00 0.00 54.97 57.12 1itp s GLU 70 Cb -0.02 -3.31 0.20 0.00 0.02 0.00 0.00 34.13 31.02 1itp s GLU 70 CO -0.17 -0.03 1.10 -3.47 -1.84 0.00 0.00 175.26 170.85 1itp n ASP 71 N 2.91 1.04 0.00 0.83 2.03 -1.23 -4.98 116.55 117.16 1itp n ASP 71 Ca 0.05 -2.53 0.00 0.00 0.52 0.00 0.00 54.79 52.83 1itp n ASP 71 Cb 0.46 -0.32 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 1itp n ASP 71 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1itp n GLY 72 N -0.46 0.88 3.46 0.27 0.00 -1.26 -4.29 105.19 103.79 1itp n GLY 72 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1itp n GLY 72 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1itp s ILE 73 N 0.81 4.60 -0.33 -0.61 2.07 -1.26 -4.72 121.20 121.77 1itp s ILE 73 Ca 0.00 -0.32 -0.00 0.00 -1.41 0.00 0.00 60.65 58.92 1itp s ILE 73 Cb 0.00 -4.48 0.08 0.00 0.13 0.00 0.00 42.46 38.18 1itp s ILE 73 CO 0.00 -1.09 0.05 0.54 -1.91 0.00 0.00 174.94 172.53 1itp s VAL 74 N 3.34 2.84 -0.47 4.00 0.11 -1.26 -4.95 120.40 124.01 1itp s VAL 74 Ca 0.20 -1.77 0.06 0.00 -2.93 0.00 0.00 61.98 57.55 1itp s VAL 74 Cb -0.17 -2.80 0.27 0.00 -1.53 0.00 0.00 36.38 32.14 1itp s VAL 74 CO 0.13 -0.34 0.97 0.41 -3.33 0.00 0.00 175.10 172.93 1itp n THR 75 N 4.53 -0.02 0.04 5.04 -1.04 -1.26 -5.00 114.28 116.56 1itp n THR 75 Ca -0.07 -1.63 -0.01 0.00 -2.04 0.00 0.00 64.05 60.30 1itp n THR 75 Cb 0.42 1.37 -0.00 0.00 -1.82 0.00 0.00 70.33 70.30 1itp n THR 75 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1itp n THR 76 N 1.11 1.15 -0.22 12.58 -1.04 -1.26 -5.33 114.28 121.27 1itp n THR 76 Ca 0.08 0.36 0.00 0.00 -2.04 0.00 0.00 64.05 62.45 1itp n THR 76 Cb 0.66 -1.63 0.00 0.00 -1.82 0.00 0.00 70.33 67.54 1itp n THR 76 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43