#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 1.77 -0.06 1.61 3.41 -1.26 -5.05 113.62 114.03 1itp n SER 2 Ca 0.00 -1.47 -0.13 0.00 -0.26 0.00 0.00 58.87 57.01 1itp n SER 2 Cb 0.00 0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 64.04 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 -2.63 1.88 0.00 7.33 0.00 -1.03 -4.89 120.51 121.17 1itp n ALA 3 Ca -0.04 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1itp n ALA 3 Cb 0.13 0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 2.11 -0.97 3.53 0.00 0.00 -1.22 -1.08 105.19 107.56 1itp n GLY 4 Ca -0.23 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 1itp n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1itp s LYS 5 N -0.84 3.45 0.34 1.61 -2.85 -1.25 -1.99 119.74 118.22 1itp s LYS 5 Ca 0.00 -0.57 0.07 0.00 -1.00 0.00 0.00 55.97 54.47 1itp s LYS 5 Cb 0.00 -3.83 -0.01 0.00 -2.06 0.00 0.00 37.83 31.93 1itp s LYS 5 CO 0.00 -0.55 0.47 -0.06 0.10 0.00 0.00 175.35 175.32 1itp s PHE 6 N 1.91 3.09 -0.36 1.78 0.08 0.01 -3.80 117.98 120.70 1itp s PHE 6 Ca 0.09 -0.23 0.01 0.00 0.12 0.00 0.00 56.93 56.92 1itp s PHE 6 Cb -0.17 -2.01 0.14 0.00 -0.57 0.00 0.00 43.02 40.41 1itp s PHE 6 CO 0.11 -0.03 0.24 0.96 -0.10 0.00 0.00 175.22 176.40 1itp s ILE 7 N -2.19 0.12 0.41 0.64 -4.36 -0.91 -2.53 121.20 112.38 1itp s ILE 7 Ca 0.46 -1.75 0.01 0.00 -0.26 0.00 0.00 60.65 59.10 1itp s ILE 7 Cb -0.09 -1.09 -0.01 0.00 1.25 0.00 0.00 42.46 42.51 1itp s ILE 7 CO 0.31 -0.99 0.62 0.68 0.24 0.00 0.00 174.94 175.80 1itp s VAL 8 N 1.00 4.33 0.05 8.37 -7.23 -1.17 -2.16 120.40 123.58 1itp s VAL 8 Ca 0.19 -0.53 -0.01 0.00 -1.81 0.00 0.00 61.98 59.83 1itp s VAL 8 Cb -0.20 -3.58 -0.04 0.00 0.56 0.00 0.00 36.38 33.12 1itp s VAL 8 CO -0.01 -0.39 -0.02 -0.63 -0.31 0.00 0.00 175.10 173.74 1itp s ILE 9 N -2.45 0.20 -0.06 -0.62 1.09 0.31 -2.42 121.20 117.24 1itp s ILE 9 Ca 0.46 -1.63 0.04 0.00 -1.10 0.00 0.00 60.65 58.42 1itp s ILE 9 Cb -0.10 -1.29 -0.02 0.00 -1.06 0.00 0.00 42.46 39.99 1itp s ILE 9 CO 0.37 -0.90 -0.19 -0.36 -0.10 0.00 0.00 174.94 173.75 1itp s PHE 10 N -3.48 2.58 1.00 3.97 0.40 -0.34 -0.14 117.98 121.97 1itp s PHE 10 Ca 0.03 -0.46 -0.15 0.00 -0.60 0.00 0.00 56.93 55.75 1itp s PHE 10 Cb 0.05 -1.63 0.12 0.00 0.51 0.00 0.00 43.02 42.07 1itp s PHE 10 CO -0.08 -0.04 0.10 0.36 0.70 0.00 0.00 175.22 176.26 1itp n LYS 11 N 2.72 -1.86 -0.86 0.44 2.85 -1.26 -4.45 118.16 115.74 1itp n LYS 11 Ca -0.17 -0.55 -0.17 0.00 -1.05 0.00 0.00 58.31 56.37 1itp n LYS 11 Cb 0.52 -1.45 0.08 0.00 -0.65 0.00 0.00 35.03 33.52 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 -0.76 5.08 0.00 -5.58 5.15 -1.26 -3.82 115.26 114.08 1itp n ASN 12 Ca 0.04 -3.09 0.00 0.00 -0.60 0.00 0.00 54.58 50.93 1itp n ASN 12 Cb 0.42 -0.87 0.00 0.00 -0.53 0.00 0.00 39.78 38.80 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 -0.21 1.88 -4.05 1.20 2.03 -1.26 -5.07 116.55 111.06 1itp n ASP 13 Ca 0.37 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 55.31 1itp n ASP 13 Cb 0.90 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 41.32 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 -2.47 0.00 -2.91 5.18 3.14 -1.25 -4.93 118.33 115.10 1itp n VAL 14 Ca 0.00 -0.49 -0.25 0.00 -2.96 0.00 0.00 64.34 60.64 1itp n VAL 14 Cb 0.37 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.15 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 -0.97 6.07 0.04 6.55 1.04 -1.26 -4.95 113.70 120.22 1itp s SER 15 Ca 0.50 0.59 -0.24 0.00 0.48 0.00 0.00 55.95 57.28 1itp s SER 15 Cb -0.39 -1.92 -0.17 0.00 0.10 0.00 0.00 66.02 63.64 1itp s SER 15 CO 0.69 -0.60 1.54 -0.08 0.98 0.00 0.00 173.24 175.78 1itp h GLU 16 N 0.37 -0.01 -0.73 4.02 4.57 -1.99 0.79 114.58 121.59 1itp h GLU 16 Ca -0.47 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.69 1itp h GLU 16 Cb 1.23 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.79 1itp h GLU 16 CO 0.60 0.19 0.37 -0.44 -1.18 0.00 0.00 179.01 178.55 1itp h ASP 17 N -0.21 0.92 -0.31 1.04 5.19 -1.99 -1.59 116.42 119.47 1itp h ASP 17 Ca -0.00 -0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.31 1itp h ASP 17 Cb 0.21 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.47 1itp h ASP 17 CO 0.00 0.76 0.16 0.11 -3.12 0.00 0.00 179.24 177.16 1itp h LYS 18 N 1.02 0.44 0.34 3.56 1.57 -1.89 0.21 116.57 121.82 1itp h LYS 18 Ca 0.25 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1itp h LYS 18 Cb 0.07 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1itp h LYS 18 CO -0.04 0.39 -0.43 0.82 -0.57 0.00 0.00 179.45 179.62 1itp h ILE 19 N 0.37 0.14 -0.33 1.86 2.04 -0.22 0.34 117.51 121.71 1itp h ILE 19 Ca 0.11 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.05 1itp h ILE 19 Cb 0.09 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.29 1itp h ILE 19 CO -0.02 0.00 0.23 0.03 0.00 0.00 0.00 178.15 178.39 1itp h ARG 20 N -0.81 0.08 0.18 2.37 3.08 -1.17 -2.50 114.38 115.61 1itp h ARG 20 Ca -0.02 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1itp h ARG 20 Cb 0.75 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1itp h ARG 20 CO -0.12 0.06 -0.09 0.93 -1.07 0.00 0.00 179.97 179.68 1itp h GLU 21 N 0.09 -0.23 -0.89 0.04 5.08 0.10 -0.69 114.58 118.08 1itp h GLU 21 Ca 0.15 0.02 0.24 0.00 -1.00 0.00 0.00 59.36 58.77 1itp h GLU 21 Cb 0.50 0.05 -0.17 0.00 0.50 0.00 0.00 28.75 29.63 1itp h GLU 21 CO -0.01 -0.15 0.01 2.41 -1.00 0.00 0.00 179.01 180.26 1itp n THR 22 N -2.92 -0.37 0.28 1.13 -1.04 0.10 0.94 114.28 112.39 1itp n THR 22 Ca -0.03 1.96 -0.16 0.00 -2.04 0.00 0.00 64.05 63.78 1itp n THR 22 Cb 0.09 -2.85 -0.08 0.00 -1.82 0.00 0.00 70.33 65.67 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 -0.66 -1.01 -2.82 1.57 -1.47 -2.25 116.57 109.94 1itp h LYS 23 Ca 0.53 0.04 0.22 0.00 -1.87 0.00 0.00 60.65 59.58 1itp h LYS 23 Cb 1.09 0.15 -0.11 0.00 0.08 0.00 0.00 32.23 33.44 1itp h LYS 23 CO -0.84 -0.39 0.61 -0.44 -0.57 0.00 0.00 179.45 177.82 1itp h ASP 24 N -0.79 0.68 -0.56 0.86 5.19 0.22 0.87 116.42 122.89 1itp h ASP 24 Ca -0.07 0.11 0.02 0.00 -0.62 0.00 0.00 57.03 56.47 1itp h ASP 24 Cb 0.57 -0.01 -0.03 0.00 0.18 0.00 0.00 39.33 40.04 1itp h ASP 24 CO 0.11 0.18 0.37 -0.08 -3.12 0.00 0.00 179.24 176.71 1itp h GLU 25 N 0.63 0.68 0.06 3.56 4.57 0.49 0.13 114.58 124.70 1itp h GLU 25 Ca 0.60 -0.04 -0.27 0.00 -1.18 0.00 0.00 59.36 58.47 1itp h GLU 25 Cb 1.12 -0.15 0.02 0.00 -0.16 0.00 0.00 28.75 29.57 1itp h GLU 25 CO -0.40 0.45 -1.12 -0.24 -1.18 0.00 0.00 179.01 176.52 1itp h VAL 26 N 0.70 1.34 0.29 0.32 3.04 0.12 0.19 116.25 122.25 1itp h VAL 26 Ca 0.22 -2.48 -0.00 0.00 -1.01 0.00 0.00 66.70 63.43 1itp h VAL 26 Cb 0.01 2.58 -0.02 0.00 -2.01 0.00 0.00 31.29 31.84 1itp h VAL 26 CO -0.05 0.75 -0.26 0.40 -1.01 0.00 0.00 177.57 177.39 1itp h ILE 27 N 0.27 0.44 -0.08 3.17 1.08 0.33 0.45 117.51 123.17 1itp h ILE 27 Ca -0.14 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.30 1itp h ILE 27 Cb 1.78 0.44 -0.00 0.00 -3.07 0.00 0.00 36.82 35.97 1itp h ILE 27 CO 0.21 0.00 -0.06 0.00 -0.69 0.00 0.00 178.15 177.61 1itp h ALA 28 N 0.04 0.12 -1.67 1.87 0.00 -1.09 -3.35 119.26 115.18 1itp h ALA 28 Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1itp h ALA 28 Cb 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1itp h ALA 28 CO -0.04 -0.09 0.00 -1.91 0.00 0.00 0.00 179.25 177.21 1itp n GLU 29 N -4.72 0.00 0.00 0.00 2.13 0.65 -4.95 120.64 113.75 1itp n GLU 29 Ca -0.07 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.20 1itp n GLU 29 Cb 0.29 -1.22 0.00 0.00 0.27 0.00 0.00 31.44 30.77 1itp n GLU 29 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1itp n GLY 30 N -0.85 -1.78 3.02 8.31 0.00 0.15 -5.04 105.19 109.00 1itp n GLY 30 Ca 0.00 0.44 -0.37 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.40 -3.91 3.27 -0.02 0.00 -0.70 -4.68 105.19 97.75 1itp n GLY 31 Ca 0.00 -0.54 -0.17 0.00 0.00 0.00 0.00 46.02 45.31 1itp n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1itp s THR 32 N -2.02 0.06 -0.05 2.61 2.01 0.14 -2.83 115.64 115.56 1itp s THR 32 Ca 0.40 -2.00 0.04 0.00 0.31 0.00 0.00 61.69 60.43 1itp s THR 32 Cb -0.07 -2.50 0.00 0.00 0.01 0.00 0.00 72.50 69.94 1itp s THR 32 CO 0.76 0.00 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.90 1itp s ILE 33 N -3.68 1.31 -0.05 1.82 -1.09 -1.26 -1.60 121.20 116.65 1itp s ILE 33 Ca 0.39 -0.63 0.07 0.00 -2.23 0.00 0.00 60.65 58.25 1itp s ILE 33 Cb 0.04 -1.14 -0.10 0.00 -1.58 0.00 0.00 42.46 39.68 1itp s ILE 33 CO 0.21 0.38 0.08 0.35 -1.23 0.00 0.00 174.94 174.74 1itp n THR 34 N 3.31 0.30 -3.63 2.92 -2.24 -0.79 -4.96 114.28 109.20 1itp n THR 34 Ca -0.19 -0.25 -0.04 0.00 -2.27 0.00 0.00 64.05 61.29 1itp n THR 34 Cb 0.53 -0.38 -0.06 0.00 -2.10 0.00 0.00 70.33 68.32 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 -3.49 -0.84 0.67 3.42 0.01 -0.87 -5.06 114.94 108.78 1itp s ASN 35 Ca -0.03 1.30 0.04 0.00 -0.71 0.00 0.00 52.86 53.46 1itp s ASN 35 Cb 0.03 1.51 0.12 0.00 0.41 0.00 0.00 41.25 43.32 1itp s ASN 35 CO 0.30 -0.20 0.92 -1.61 -1.51 0.00 0.00 177.10 175.00 1itp s GLU 36 N 1.82 1.88 -0.21 -0.60 0.41 -1.26 -0.11 118.70 120.63 1itp s GLU 36 Ca -0.09 -1.44 -0.03 0.00 -0.41 0.00 0.00 54.97 53.00 1itp s GLU 36 Cb -0.06 -2.47 0.07 0.00 -1.78 0.00 0.00 34.13 29.89 1itp s GLU 36 CO -0.18 -1.25 0.06 0.71 -0.49 0.00 0.00 175.26 174.10 1itp s TYR 37 N -2.95 0.95 -0.81 1.61 2.02 0.30 -4.80 117.35 113.67 1itp s TYR 37 Ca 0.65 -0.91 0.02 0.00 -0.37 0.00 0.00 57.07 56.47 1itp s TYR 37 Cb -0.05 -1.06 0.28 0.00 -0.40 0.00 0.00 41.96 40.73 1itp s TYR 37 CO 0.42 -0.65 1.06 0.27 -1.57 0.00 0.00 175.55 175.08 1itp n ASN 38 N 5.07 4.89 -4.97 2.29 0.23 -1.26 -2.55 115.26 118.96 1itp n ASN 38 Ca -0.08 -3.45 -0.21 0.00 -0.53 0.00 0.00 54.58 50.31 1itp n ASN 38 Cb 0.46 -0.90 -0.02 0.00 -2.08 0.00 0.00 39.78 37.24 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 -2.69 3.43 -0.40 -3.83 -1.94 -0.67 -5.05 119.30 108.16 1itp s MET 39 Ca 0.37 -0.75 -0.29 0.00 -1.71 0.00 0.00 55.69 53.31 1itp s MET 39 Cb 0.12 -2.88 0.01 0.00 2.01 0.00 0.00 34.83 34.09 1itp s MET 39 CO 0.03 0.41 1.40 -1.25 -0.01 0.00 0.00 175.02 175.60 1itp s PRO 40 N -4.00 3.61 0.00 2.03 0.04 -1.26 -2.49 135.00 132.94 1itp s PRO 40 Ca 0.34 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.36 1itp s PRO 40 Cb -0.09 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.44 1itp s PRO 40 CO 0.29 -1.52 0.00 0.41 0.04 0.00 0.00 177.00 176.23 1itp n GLY 41 N 4.99 1.77 2.98 0.56 0.00 -1.26 -5.00 105.19 109.24 1itp n GLY 41 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.54 2.03 -0.21 1.61 0.00 -1.04 -4.89 119.30 116.26 1itp s MET 42 Ca 0.00 -0.60 0.01 0.00 0.00 0.00 0.00 55.69 55.10 1itp s MET 42 Cb 0.00 -2.13 0.05 0.00 0.00 0.00 0.00 34.83 32.75 1itp s MET 42 CO 0.00 -0.32 -0.09 0.21 0.00 0.00 0.00 175.02 174.82 1itp s LYS 43 N 1.50 1.91 0.04 4.11 2.47 -1.26 -1.67 119.74 126.84 1itp s LYS 43 Ca 0.03 -0.90 -0.01 0.00 -1.56 0.00 0.00 55.97 53.53 1itp s LYS 43 Cb -0.14 -2.47 0.00 0.00 -1.46 0.00 0.00 37.83 33.76 1itp s LYS 43 CO -0.09 -0.48 0.08 0.41 0.16 0.00 0.00 175.35 175.42 1itp n GLY 44 N 4.67 2.47 3.45 5.54 0.00 -1.06 -1.20 105.19 119.07 1itp n GLY 44 Ca -0.14 -1.23 -0.12 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 -6.40 -0.52 -0.04 1.61 -0.12 -1.02 -0.54 117.98 110.96 1itp s PHE 45 Ca 0.03 0.29 0.02 0.00 -0.05 0.00 0.00 56.93 57.22 1itp s PHE 45 Cb -0.00 0.57 0.01 0.00 -0.63 0.00 0.00 43.02 42.96 1itp s PHE 45 CO 0.02 -0.87 -0.09 0.00 -0.05 0.00 0.00 175.22 174.22 1itp s ALA 46 N -3.76 0.95 0.00 1.99 0.00 0.84 -3.04 121.76 118.74 1itp s ALA 46 Ca 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.65 1itp s ALA 46 Cb -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.71 1itp s ALA 46 CO -0.12 0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.17 1itp n GLY 47 N 3.50 1.63 3.74 0.00 0.00 -1.05 -1.88 105.19 111.13 1itp n GLY 47 Ca -0.20 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.16 4.12 0.02 1.61 0.41 -0.63 -0.81 118.70 123.26 1itp s GLU 48 Ca 0.00 -0.20 0.00 0.00 -0.41 0.00 0.00 54.97 54.36 1itp s GLU 48 Cb 0.00 -3.40 -0.00 0.00 -1.78 0.00 0.00 34.13 28.95 1itp s GLU 48 CO 0.00 0.34 0.01 1.28 -0.49 0.00 0.00 175.26 176.41 1itp n LEU 49 N 3.37 0.00 0.00 1.80 4.32 -0.84 0.25 117.00 125.90 1itp n LEU 49 Ca -0.16 -0.15 -0.08 0.00 -0.02 0.00 0.00 56.01 55.60 1itp n LEU 49 Cb 0.52 0.08 -0.03 0.00 -1.62 0.00 0.00 43.42 42.38 1itp n LEU 49 CO 0.37 -0.03 0.00 0.41 -1.22 0.00 0.00 177.39 176.92 1itp n THR 50 N -0.03 0.00 0.23 -5.08 -1.04 -1.26 -2.46 114.28 104.64 1itp n THR 50 Ca 0.00 -0.99 0.12 0.00 -2.04 0.00 0.00 64.05 61.15 1itp n THR 50 Cb 0.03 0.53 0.38 0.00 -1.82 0.00 0.00 70.33 69.45 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 0.00 0.04 -2.82 0.13 -2.00 -2.78 132.00 124.57 1itp h PRO 51 Ca -0.11 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1itp h PRO 51 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 1itp h PRO 51 CO 0.16 0.10 -0.02 0.37 -0.23 0.00 0.00 178.00 178.38 1itp h GLN 52 N 0.00 -0.05 -0.94 0.86 4.15 -2.00 -2.92 115.11 114.21 1itp h GLN 52 Ca -0.00 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.50 1itp h GLN 52 Cb 0.83 0.01 -0.07 0.00 0.21 0.00 0.00 27.48 28.46 1itp h GLN 52 CO 0.01 0.63 0.59 0.77 -1.93 0.00 0.00 178.83 178.91 1itp h SER 53 N -0.86 0.92 0.06 -0.69 0.02 -1.96 -2.66 113.55 108.38 1itp h SER 53 Ca -0.00 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1itp h SER 53 Cb 0.70 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 1itp h SER 53 CO 0.01 0.57 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.14 1itp h LEU 54 N 1.05 -0.15 -1.72 5.07 4.07 -1.57 -1.27 115.31 120.79 1itp h LEU 54 Ca 0.42 0.01 0.50 0.00 0.08 0.00 0.00 57.88 58.90 1itp h LEU 54 Cb 0.24 0.05 -0.07 0.00 1.08 0.00 0.00 40.66 41.95 1itp h LEU 54 CO -0.20 -0.07 1.23 0.41 -1.08 0.00 0.00 178.44 178.73 1itp n THR 55 N -2.58 -0.02 0.00 0.22 -1.04 -1.10 0.21 114.28 109.98 1itp n THR 55 Ca -0.01 1.34 0.00 0.00 -2.04 0.00 0.00 64.05 63.34 1itp n THR 55 Cb 0.05 -2.24 0.00 0.00 -1.82 0.00 0.00 70.33 66.32 1itp n THR 55 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1itp n LYS 56 N -3.76 0.00 -0.44 -2.82 0.00 -0.51 -3.22 118.16 107.40 1itp n LYS 56 Ca 0.39 0.45 0.04 0.00 0.00 0.00 0.00 58.31 59.19 1itp n LYS 56 Cb 1.76 -1.41 0.20 0.00 0.00 0.00 0.00 35.03 35.59 1itp n LYS 56 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.40 179.37 1itp n PHE 57 N -1.86 1.03 0.00 5.64 1.16 0.76 -4.11 117.46 120.08 1itp n PHE 57 Ca 0.00 -0.36 0.00 0.00 -1.87 0.00 0.00 57.45 55.22 1itp n PHE 57 Cb 0.00 -0.30 0.00 0.00 -1.61 0.00 0.00 39.48 37.57 1itp n PHE 57 CO 0.00 0.00 0.00 1.04 -1.87 0.00 0.00 176.76 175.93 1itp n GLN 58 N 0.33 0.00 0.29 3.97 6.02 0.57 -4.09 117.38 124.47 1itp n GLN 58 Ca 0.14 0.07 0.15 0.00 -0.01 0.00 0.00 57.00 57.35 1itp n GLN 58 Cb 0.71 -0.37 0.74 0.00 1.02 0.00 0.00 30.24 32.35 1itp n GLN 58 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1itp h GLY 59 N 0.00 0.00 -1.79 1.08 0.00 -1.75 1.48 103.07 102.09 1itp h GLY 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1itp h GLY 59 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 176.54 176.44 1itp n LEU 60 N -3.01 2.60 -4.33 3.11 7.94 -1.26 -4.93 117.00 117.12 1itp n LEU 60 Ca 0.00 -1.31 -0.31 0.00 -1.11 0.00 0.00 56.01 53.28 1itp n LEU 60 Cb 0.48 -0.46 0.21 0.00 0.53 0.00 0.00 43.42 44.18 1itp n LEU 60 CO 0.15 0.42 -0.21 0.00 -1.11 0.00 0.00 177.39 176.64 1itp n GLN 61 N 0.33 -2.01 -1.26 1.96 6.02 0.51 -2.62 117.38 120.31 1itp n GLN 61 Ca 0.12 -0.57 -0.10 0.00 -0.01 0.00 0.00 57.00 56.44 1itp n GLN 61 Cb 0.53 -1.85 -0.04 0.00 1.02 0.00 0.00 30.24 29.90 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 1.73 0.94 0.88 1.08 0.00 -1.01 -4.65 105.19 104.15 1itp n GLY 62 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.00 0.71 -0.04 1.61 2.03 -1.08 -4.89 116.55 113.90 1itp n ASP 63 Ca -0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.21 1itp n ASP 63 Cb 0.56 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 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 -2.85 0.00 -3.81 -2.67 -0.00 -1.25 -4.83 117.00 101.58 1itp n LEU 64 Ca 0.00 -0.17 -0.26 0.00 -0.00 0.00 0.00 56.01 55.59 1itp n LEU 64 Cb 0.46 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.71 1itp n LEU 64 CO 0.00 0.12 -0.40 -0.63 -0.00 0.00 0.00 177.39 176.48 1itp s ILE 65 N 0.00 0.69 -0.09 1.47 -1.09 -1.26 -4.33 121.20 116.58 1itp s ILE 65 Ca 0.00 -0.26 -0.14 0.00 -2.23 0.00 0.00 60.65 58.02 1itp s ILE 65 Cb 0.00 -0.89 -0.28 0.00 -1.58 0.00 0.00 42.46 39.71 1itp s ILE 65 CO 0.00 0.15 0.57 -0.78 -1.23 0.00 0.00 174.94 173.65 1itp h ASP 66 N 8.24 0.43 -5.04 3.58 3.58 -0.80 -2.67 116.42 123.74 1itp h ASP 66 Ca -0.22 -0.88 -0.13 0.00 0.42 0.00 0.00 57.03 56.23 1itp h ASP 66 Cb 1.12 -0.14 -0.19 0.00 1.72 0.00 0.00 39.33 41.84 1itp h ASP 66 CO 0.33 1.67 -0.47 -0.44 -2.88 0.00 0.00 179.24 177.45 1itp s SER 67 N -7.09 0.08 -0.04 2.28 0.01 -1.22 -4.93 113.70 102.78 1itp s SER 67 Ca -0.19 -0.35 -0.02 0.00 1.31 0.00 0.00 55.95 56.69 1itp s SER 67 Cb 0.05 0.24 0.03 0.00 0.21 0.00 0.00 66.02 66.54 1itp s SER 67 CO 0.78 -0.47 0.06 -0.51 0.41 0.00 0.00 173.24 173.51 1itp s ILE 68 N -2.11 -0.10 -0.68 1.44 2.07 -1.26 -0.53 121.20 120.03 1itp s ILE 68 Ca -0.09 0.42 0.04 0.00 -1.41 0.00 0.00 60.65 59.61 1itp s ILE 68 Cb -0.04 -0.15 0.16 0.00 0.13 0.00 0.00 42.46 42.56 1itp s ILE 68 CO -0.02 0.18 0.46 -0.70 -1.91 0.00 0.00 174.94 172.95 1itp s GLU 69 N 2.12 2.42 0.21 3.50 2.12 -0.92 -5.00 118.70 123.16 1itp s GLU 69 Ca 0.04 -3.17 -0.30 0.00 0.36 0.00 0.00 54.97 51.91 1itp s GLU 69 Cb -0.12 -3.45 -0.09 0.00 0.26 0.00 0.00 34.13 30.74 1itp s GLU 69 CO -0.03 -1.24 1.23 -2.00 -0.54 0.00 0.00 175.26 172.67 1itp s GLU 70 N -1.17 4.47 -0.27 4.30 2.12 -1.26 -2.14 118.70 124.75 1itp s GLU 70 Ca 0.23 1.94 0.20 0.00 0.36 0.00 0.00 54.97 57.70 1itp s GLU 70 Cb -0.10 -3.21 0.50 0.00 0.26 0.00 0.00 34.13 31.58 1itp s GLU 70 CO -0.12 -0.11 1.12 -3.47 -0.54 0.00 0.00 175.26 172.13 1itp n ASP 71 N 2.29 2.17 -4.82 -1.70 2.03 -1.25 -5.00 116.55 110.27 1itp n ASP 71 Ca 0.04 -2.36 -0.28 0.00 0.52 0.00 0.00 54.79 52.70 1itp n ASP 71 Cb 0.44 -0.46 -0.05 0.00 -0.72 0.00 0.00 41.12 40.33 1itp n ASP 71 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1itp s GLY 72 N -3.74 1.88 -0.11 0.27 0.00 -1.26 -3.75 107.32 100.60 1itp s GLY 72 Ca 0.31 -1.08 0.03 0.00 0.00 0.00 0.00 44.72 43.98 1itp s GLY 72 CO -0.02 -1.08 -0.21 -1.50 0.00 0.00 0.00 173.10 170.28 1itp s ILE 73 N -1.59 1.92 0.07 0.90 -1.16 -0.24 -4.86 121.20 116.24 1itp s ILE 73 Ca 0.31 -0.92 0.00 0.00 -0.51 0.00 0.00 60.65 59.53 1itp s ILE 73 Cb -0.11 -1.68 0.00 0.00 0.61 0.00 0.00 42.46 41.28 1itp s ILE 73 CO 0.24 0.53 0.00 0.52 -2.81 0.00 0.00 174.94 173.41 1itp n VAL 74 N 3.79 0.47 -1.86 4.00 0.31 -1.26 -4.73 118.33 119.05 1itp n VAL 74 Ca -0.20 0.16 -0.31 0.00 -0.01 0.00 0.00 64.34 63.98 1itp n VAL 74 Cb 0.52 -1.05 -0.04 0.00 -0.91 0.00 0.00 33.84 32.36 1itp n VAL 74 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1itp s THR 75 N -1.49 3.24 0.00 2.52 2.01 -1.26 -4.52 115.64 116.14 1itp s THR 75 Ca 0.00 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 61.99 1itp s THR 75 Cb 0.00 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 68.91 1itp s THR 75 CO 0.00 -0.57 0.00 1.07 -0.69 0.00 0.00 174.62 174.43 1itp n THR 76 N 7.79 0.00 1.73 -0.82 5.66 -1.26 -5.29 114.28 122.10 1itp n THR 76 Ca 0.33 0.00 0.15 0.00 -3.05 0.00 0.00 64.05 61.48 1itp n THR 76 Cb 0.50 -1.17 0.72 0.00 -1.55 0.00 0.00 70.33 68.83 1itp n THR 76 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02