#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 -0.96 -0.69 1.61 3.41 -1.26 -4.94 113.62 110.78 1itp n SER 2 Ca 0.00 -0.79 0.12 0.00 -0.26 0.00 0.00 58.87 57.94 1itp n SER 2 Cb 0.00 -0.27 0.35 0.00 -0.26 0.00 0.00 64.21 64.03 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 -3.43 2.52 0.00 7.33 0.00 -1.01 -5.04 120.51 120.88 1itp n ALA 3 Ca -0.06 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1itp n ALA 3 Cb 0.16 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 1.25 0.77 3.93 0.00 0.00 -1.25 -3.54 105.19 106.35 1itp n GLY 4 Ca 0.17 -2.06 -0.28 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.15 3.49 0.08 1.61 1.02 -1.26 -2.05 119.74 121.48 1itp s LYS 5 Ca 0.00 -0.43 -0.01 0.00 0.02 0.00 0.00 55.97 55.55 1itp s LYS 5 Cb 0.00 -2.91 -0.04 0.00 -0.52 0.00 0.00 37.83 34.36 1itp s LYS 5 CO 0.00 0.48 -0.01 -0.06 -0.92 0.00 0.00 175.35 174.84 1itp s PHE 6 N -1.76 0.66 -0.27 3.18 0.40 0.51 -2.20 117.98 118.50 1itp s PHE 6 Ca 0.37 -1.11 -0.04 0.00 -0.60 0.00 0.00 56.93 55.55 1itp s PHE 6 Cb -0.11 -0.43 0.10 0.00 0.51 0.00 0.00 43.02 43.08 1itp s PHE 6 CO 0.28 -0.41 0.13 0.42 0.70 0.00 0.00 175.22 176.35 1itp s ILE 7 N -3.94 -0.09 0.31 0.64 1.01 -0.95 -2.25 121.20 115.93 1itp s ILE 7 Ca 0.13 -0.65 0.08 0.00 0.00 0.00 0.00 60.65 60.22 1itp s ILE 7 Cb 0.08 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.59 1itp s ILE 7 CO -0.06 -0.64 0.12 0.68 0.00 0.00 0.00 174.94 175.04 1itp s VAL 8 N 2.12 3.36 0.15 2.92 -7.23 -1.16 -0.34 120.40 120.21 1itp s VAL 8 Ca 0.08 -1.70 0.00 0.00 -1.81 0.00 0.00 61.98 58.55 1itp s VAL 8 Cb -0.16 -3.00 -0.04 0.00 0.56 0.00 0.00 36.38 33.73 1itp s VAL 8 CO -0.32 -0.26 0.03 -0.63 -0.31 0.00 0.00 175.10 173.61 1itp s ILE 9 N -2.35 0.40 0.07 -0.62 1.09 0.87 -2.47 121.20 118.18 1itp s ILE 9 Ca 0.35 -1.94 0.08 0.00 -1.10 0.00 0.00 60.65 58.04 1itp s ILE 9 Cb -0.05 -2.08 -0.03 0.00 -1.06 0.00 0.00 42.46 39.25 1itp s ILE 9 CO 0.22 -0.48 -0.22 -0.36 -0.10 0.00 0.00 174.94 174.01 1itp s PHE 10 N -3.85 1.87 0.66 3.97 0.08 -0.98 -0.91 117.98 118.82 1itp s PHE 10 Ca 0.24 -0.39 -0.09 0.00 0.12 0.00 0.00 56.93 56.81 1itp s PHE 10 Cb 0.07 -1.08 0.14 0.00 -0.57 0.00 0.00 43.02 41.58 1itp s PHE 10 CO 0.03 0.14 0.32 0.36 -0.10 0.00 0.00 175.22 175.97 1itp n LYS 11 N 1.56 -1.47 -1.26 0.44 2.85 -1.14 -4.55 118.16 114.59 1itp n LYS 11 Ca -0.18 -0.53 -0.29 0.00 -1.05 0.00 0.00 58.31 56.26 1itp n LYS 11 Cb 0.53 -0.93 0.12 0.00 -0.65 0.00 0.00 35.03 34.10 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 -2.13 5.98 0.00 -5.58 2.85 -1.26 -4.14 115.26 110.98 1itp n ASN 12 Ca 0.05 -3.67 0.00 0.00 -0.11 0.00 0.00 54.58 50.85 1itp n ASN 12 Cb 0.22 -0.92 0.00 0.00 1.24 0.00 0.00 39.78 40.32 1itp n ASN 12 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1itp n ASP 13 N -0.95 1.76 -4.18 1.20 9.92 -1.26 -5.07 116.55 117.97 1itp n ASP 13 Ca 0.60 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 54.45 1itp n ASP 13 Cb 1.07 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 41.55 1itp n ASP 13 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1itp n VAL 14 N -2.49 0.73 -2.70 2.53 3.14 -1.26 -4.93 118.33 113.35 1itp n VAL 14 Ca 0.00 -0.48 -0.23 0.00 -2.96 0.00 0.00 64.34 60.66 1itp n VAL 14 Cb 0.37 0.00 0.03 0.00 -1.06 0.00 0.00 33.84 33.17 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 5.52 0.09 6.55 1.04 -1.26 -4.94 113.70 119.73 1itp s SER 15 Ca 0.58 0.28 -0.19 0.00 0.48 0.00 0.00 55.95 57.09 1itp s SER 15 Cb -0.64 -1.32 -0.08 0.00 0.10 0.00 0.00 66.02 64.08 1itp s SER 15 CO 0.60 -0.98 1.60 -0.33 0.98 0.00 0.00 173.24 175.11 1itp h GLU 16 N 0.11 0.34 -0.77 4.02 3.07 -1.99 -0.06 114.58 119.30 1itp h GLU 16 Ca -0.45 -0.08 0.01 0.00 -0.50 0.00 0.00 59.36 58.35 1itp h GLU 16 Cb 1.27 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 29.09 1itp h GLU 16 CO 0.56 0.44 0.51 0.22 -1.40 0.00 0.00 179.01 179.34 1itp h ASP 17 N 0.18 0.88 -0.32 1.42 3.58 -1.98 -0.77 116.42 119.41 1itp h ASP 17 Ca 0.07 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1itp h ASP 17 Cb 0.24 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 1itp h ASP 17 CO -0.00 0.63 0.20 0.11 -2.88 0.00 0.00 179.24 177.30 1itp h LYS 18 N 1.04 0.42 0.36 0.28 6.56 -1.89 0.27 116.57 123.60 1itp h LYS 18 Ca 0.29 -0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 59.85 1itp h LYS 18 Cb -0.11 -0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 31.43 1itp h LYS 18 CO -0.07 0.29 -0.46 0.82 -2.06 0.00 0.00 179.45 177.97 1itp h ILE 19 N 0.42 0.09 -0.36 1.86 2.04 -0.32 0.40 117.51 121.64 1itp h ILE 19 Ca 0.11 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.07 1itp h ILE 19 Cb -0.03 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.12 1itp h ILE 19 CO -0.02 0.00 0.26 0.03 0.00 0.00 0.00 178.15 178.41 1itp h ARG 20 N -0.86 0.07 0.16 2.37 3.08 -0.97 -2.02 114.38 116.22 1itp h ARG 20 Ca -0.03 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1itp h ARG 20 Cb 0.78 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.82 1itp h ARG 20 CO -0.12 0.04 -0.08 0.93 -1.07 0.00 0.00 179.97 179.67 1itp h GLU 21 N 0.07 -0.21 -1.00 0.04 5.08 0.12 -1.01 114.58 117.67 1itp h GLU 21 Ca 0.17 0.01 0.39 0.00 -1.00 0.00 0.00 59.36 58.94 1itp h GLU 21 Cb 0.59 0.05 -0.17 0.00 0.50 0.00 0.00 28.75 29.72 1itp h GLU 21 CO -0.01 -0.14 0.51 1.15 -1.00 0.00 0.00 179.01 179.52 1itp h THR 22 N -0.33 0.06 0.30 1.13 2.02 -0.06 1.40 112.91 117.44 1itp h THR 22 Ca -0.02 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1itp h THR 22 Cb 0.17 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 1itp h THR 22 CO 0.04 0.01 -0.14 0.11 0.37 0.00 0.00 175.52 175.90 1itp h LYS 23 N 0.07 -0.39 -0.95 6.66 6.56 -1.36 -1.91 116.57 125.24 1itp h LYS 23 Ca 0.81 0.03 0.01 0.00 -1.06 0.00 0.00 60.65 60.44 1itp h LYS 23 Cb 2.07 0.09 -0.05 0.00 -0.57 0.00 0.00 32.23 33.77 1itp h LYS 23 CO -0.75 -0.12 0.63 -0.44 -2.06 0.00 0.00 179.45 176.72 1itp h ASP 24 N -0.63 1.09 -0.78 0.86 5.19 0.19 0.87 116.42 123.21 1itp h ASP 24 Ca -0.04 -0.03 0.11 0.00 -0.62 0.00 0.00 57.03 56.45 1itp h ASP 24 Cb 0.45 -0.27 -0.05 0.00 0.18 0.00 0.00 39.33 39.64 1itp h ASP 24 CO 0.07 0.78 0.51 -0.33 -3.12 0.00 0.00 179.24 177.15 1itp h GLU 25 N 1.28 0.63 0.18 3.56 3.07 0.17 0.23 114.58 123.69 1itp h GLU 25 Ca 0.35 -0.04 -0.31 0.00 -0.50 0.00 0.00 59.36 58.87 1itp h GLU 25 Cb -0.13 -0.14 0.03 0.00 -0.84 0.00 0.00 28.75 27.67 1itp h GLU 25 CO -0.08 0.42 -1.33 -0.24 -1.40 0.00 0.00 179.01 176.37 1itp h VAL 26 N 0.65 1.34 -0.02 3.13 3.04 -0.35 0.16 116.25 124.20 1itp h VAL 26 Ca 0.37 -2.72 0.02 0.00 -1.01 0.00 0.00 66.70 63.36 1itp h VAL 26 Cb 0.54 2.90 -0.02 0.00 -2.01 0.00 0.00 31.29 32.69 1itp h VAL 26 CO -0.14 0.81 -0.10 0.40 -1.01 0.00 0.00 177.57 177.54 1itp h ILE 27 N 0.17 0.75 -0.00 3.17 1.08 0.69 0.54 117.51 123.91 1itp h ILE 27 Ca -0.20 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.27 1itp h ILE 27 Cb 2.02 0.75 0.00 0.00 -3.07 0.00 0.00 36.82 36.53 1itp h ILE 27 CO 0.24 0.00 -0.01 0.00 -0.69 0.00 0.00 178.15 177.69 1itp h ALA 28 N 0.84 0.01 -0.01 1.87 0.00 -0.72 -3.35 119.26 117.90 1itp h ALA 28 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1itp h ALA 28 Cb 0.21 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1itp h ALA 28 CO -0.11 -0.17 -0.06 1.49 0.00 0.00 0.00 179.25 180.39 1itp h GLU 29 N -0.61 -0.07 0.00 0.00 4.81 -0.53 -3.47 114.58 114.71 1itp h GLU 29 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1itp h GLU 29 Cb 0.64 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1itp h GLU 29 CO 0.00 -0.04 0.00 0.41 -0.73 0.00 0.00 179.01 178.65 1itp n GLY 30 N -1.05 -1.89 3.10 1.92 0.00 0.17 -5.04 105.19 102.41 1itp n GLY 30 Ca -0.01 0.50 -0.36 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.49 -2.84 3.24 -0.02 0.00 -0.36 -4.68 105.19 99.03 1itp n GLY 31 Ca 0.00 -0.37 -0.16 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.09 0.00 -0.08 2.61 2.01 0.14 -2.57 115.64 115.66 1itp s THR 32 Ca 0.43 -2.00 0.03 0.00 0.31 0.00 0.00 61.69 60.46 1itp s THR 32 Cb 0.02 -2.50 0.01 0.00 0.01 0.00 0.00 72.50 70.04 1itp s THR 32 CO 0.66 0.00 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.80 1itp s ILE 33 N -3.81 1.46 -0.08 1.82 -1.09 -1.26 -1.94 121.20 116.30 1itp s ILE 33 Ca 0.40 -0.66 0.06 0.00 -2.23 0.00 0.00 60.65 58.22 1itp s ILE 33 Cb 0.05 -1.30 -0.09 0.00 -1.58 0.00 0.00 42.46 39.53 1itp s ILE 33 CO 0.20 0.43 0.02 0.35 -1.23 0.00 0.00 174.94 174.70 1itp n THR 34 N 3.79 0.52 -3.78 2.92 -2.24 -1.02 -4.93 114.28 109.54 1itp n THR 34 Ca -0.21 -0.31 -0.10 0.00 -2.27 0.00 0.00 64.05 61.16 1itp n THR 34 Cb 0.52 -0.80 -0.06 0.00 -2.10 0.00 0.00 70.33 67.89 1itp n THR 34 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1itp s ASN 35 N -4.00 -0.05 0.22 3.42 2.47 0.60 -5.00 114.94 112.61 1itp s ASN 35 Ca -0.04 -0.55 0.01 0.00 0.42 0.00 0.00 52.86 52.70 1itp s ASN 35 Cb 0.02 0.42 -0.05 0.00 -1.45 0.00 0.00 41.25 40.19 1itp s ASN 35 CO 0.30 -0.82 0.06 -1.83 -3.72 0.00 0.00 177.10 171.09 1itp s GLU 36 N -3.86 1.28 -0.37 0.43 1.03 -1.26 -0.29 118.70 115.66 1itp s GLU 36 Ca 0.06 -1.67 0.01 0.00 0.03 0.00 0.00 54.97 53.41 1itp s GLU 36 Cb 0.03 -0.24 0.11 0.00 -0.80 0.00 0.00 34.13 33.24 1itp s GLU 36 CO -0.09 -0.24 0.14 0.71 -1.33 0.00 0.00 175.26 174.46 1itp s TYR 37 N -3.74 2.33 -1.19 4.83 2.02 0.11 -4.81 117.35 116.91 1itp s TYR 37 Ca 0.32 -2.33 -0.12 0.00 -0.37 0.00 0.00 57.07 54.58 1itp s TYR 37 Cb 0.07 -2.11 0.20 0.00 -0.40 0.00 0.00 41.96 39.73 1itp s TYR 37 CO 0.10 -0.85 1.36 0.27 -1.57 0.00 0.00 175.55 174.86 1itp n ASN 38 N 4.18 5.33 -5.01 2.29 0.23 -1.26 -2.44 115.26 118.58 1itp n ASN 38 Ca 0.03 -3.01 -0.17 0.00 -0.53 0.00 0.00 54.58 50.90 1itp n ASN 38 Cb 0.39 -1.51 0.02 0.00 -2.08 0.00 0.00 39.78 36.59 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 0.64 2.78 -0.03 -3.83 -1.94 -0.46 -5.06 119.30 111.40 1itp s MET 39 Ca 0.39 -1.26 -0.04 0.00 -1.71 0.00 0.00 55.69 53.08 1itp s MET 39 Cb -0.04 -2.74 -0.02 0.00 2.01 0.00 0.00 34.83 34.03 1itp s MET 39 CO -0.02 -0.34 0.31 -1.00 -0.01 0.00 0.00 175.02 173.96 1itp h PRO 40 N 0.58 -0.14 -0.05 2.03 0.13 -2.04 -3.36 132.00 129.15 1itp h PRO 40 Ca -0.39 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1itp h PRO 40 Cb 1.28 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1itp h PRO 40 CO 0.45 -0.09 0.00 0.41 -0.23 0.00 0.00 178.00 178.54 1itp n GLY 41 N 1.11 0.21 3.04 1.56 0.00 -1.26 -4.84 105.19 105.02 1itp n GLY 41 Ca -0.02 -0.47 -0.22 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.95 1.16 -0.31 1.61 -2.45 -1.26 -4.97 119.30 111.13 1itp s MET 42 Ca 0.36 -0.40 -0.03 0.00 -1.25 0.00 0.00 55.69 54.37 1itp s MET 42 Cb 0.20 -1.06 0.11 0.00 1.25 0.00 0.00 34.83 35.33 1itp s MET 42 CO 0.32 0.17 0.15 0.15 1.05 0.00 0.00 175.02 176.85 1itp s LYS 43 N 0.09 0.32 0.06 4.11 -0.14 -1.26 -1.36 119.74 121.56 1itp s LYS 43 Ca -0.02 -0.75 0.01 0.00 -1.36 0.00 0.00 55.97 53.85 1itp s LYS 43 Cb -0.09 -1.27 -0.01 0.00 -1.68 0.00 0.00 37.83 34.79 1itp s LYS 43 CO 0.01 -1.06 0.06 0.41 -0.76 0.00 0.00 175.35 174.01 1itp n GLY 44 N 4.95 3.77 3.54 -3.33 0.00 -1.02 -2.31 105.19 110.79 1itp n GLY 44 Ca -0.02 -1.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.21 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 -2.37 -0.30 0.02 1.61 -0.12 -1.03 0.07 117.98 115.86 1itp s PHE 45 Ca 0.08 -0.01 0.03 0.00 -0.05 0.00 0.00 56.93 56.97 1itp s PHE 45 Cb 0.00 0.51 -0.02 0.00 -0.63 0.00 0.00 43.02 42.89 1itp s PHE 45 CO 0.05 -0.94 -0.09 0.00 -0.05 0.00 0.00 175.22 174.19 1itp s ALA 46 N -3.83 0.73 0.00 1.99 0.00 0.60 -3.01 121.76 118.24 1itp s ALA 46 Ca 0.06 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.41 1itp s ALA 46 Cb -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.02 1itp s ALA 46 CO -0.05 0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.22 1itp n GLY 47 N 2.11 -0.81 3.58 0.00 0.00 -0.96 -0.29 105.19 108.81 1itp n GLY 47 Ca -0.18 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.13 3.85 0.00 1.61 2.02 -0.82 -0.36 118.70 124.87 1itp s GLU 48 Ca 0.00 -0.42 0.00 0.00 0.02 0.00 0.00 54.97 54.57 1itp s GLU 48 Cb 0.00 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 31.13 1itp s GLU 48 CO 0.00 0.25 0.00 1.28 0.02 0.00 0.00 175.26 176.81 1itp n LEU 49 N 3.57 0.00 0.00 1.80 4.77 -0.87 0.23 117.00 126.50 1itp n LEU 49 Ca -0.17 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.77 1itp n LEU 49 Cb 0.52 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1itp n LEU 49 CO 0.34 0.00 0.12 0.41 -1.33 0.00 0.00 177.39 176.94 1itp n THR 50 N 0.00 0.00 0.10 -5.08 -1.04 -1.26 -2.40 114.28 104.60 1itp n THR 50 Ca 0.00 -0.54 -0.05 0.00 -2.04 0.00 0.00 64.05 61.43 1itp n THR 50 Cb 0.00 0.39 0.05 0.00 -1.82 0.00 0.00 70.33 68.96 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 0.07 0.54 -2.82 0.13 -1.98 -2.18 132.00 125.76 1itp h PRO 51 Ca -0.11 -0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 64.92 1itp h PRO 51 Cb 0.45 0.02 0.01 0.00 0.13 0.00 0.00 31.00 31.61 1itp h PRO 51 CO 0.15 0.80 -0.26 1.96 -0.23 0.00 0.00 178.00 180.42 1itp h GLN 52 N 0.04 -0.70 -0.66 0.86 7.50 -2.00 -2.90 115.11 117.25 1itp h GLN 52 Ca -0.02 0.05 0.11 0.00 0.50 0.00 0.00 58.65 59.29 1itp h GLN 52 Cb 1.35 0.16 -0.04 0.00 0.05 0.00 0.00 27.48 29.00 1itp h GLN 52 CO 0.11 -0.47 0.44 0.77 -1.50 0.00 0.00 178.83 178.18 1itp h SER 53 N -1.08 0.41 0.00 1.46 0.02 -1.97 -2.56 113.55 109.83 1itp h SER 53 Ca -0.07 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1itp h SER 53 Cb 0.56 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1itp h SER 53 CO 0.12 0.24 0.00 0.18 -1.14 0.00 0.00 176.83 176.23 1itp n LEU 54 N -4.48 0.00 -0.68 5.07 4.77 -0.82 -1.60 117.00 119.27 1itp n LEU 54 Ca 0.11 0.44 0.51 0.00 -0.03 0.00 0.00 56.01 57.04 1itp n LEU 54 Cb 0.40 0.00 0.78 0.00 -2.33 0.00 0.00 43.42 42.27 1itp n LEU 54 CO 0.33 0.00 1.41 0.41 -1.33 0.00 0.00 177.39 178.21 1itp n THR 55 N -0.61 0.00 -0.03 -5.08 -1.04 -1.10 0.66 114.28 107.09 1itp n THR 55 Ca 0.00 1.41 -0.07 0.00 -2.04 0.00 0.00 64.05 63.35 1itp n THR 55 Cb 0.00 -2.35 -0.04 0.00 -1.82 0.00 0.00 70.33 66.12 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 -0.22 -0.00 -2.82 3.11 -0.87 0.31 116.57 116.08 1itp h LYS 56 Ca 0.89 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.75 1itp h LYS 56 Cb 3.59 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 34.87 1itp h LYS 56 CO -0.01 -0.15 -0.53 1.97 -2.81 0.00 0.00 179.45 177.93 1itp n PHE 57 N -3.86 0.00 0.01 1.91 1.16 0.68 -4.03 117.46 113.33 1itp n PHE 57 Ca -0.02 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.37 1itp n PHE 57 Cb 0.16 -0.15 -0.09 0.00 -1.61 0.00 0.00 39.48 37.79 1itp n PHE 57 CO 0.00 0.00 0.00 1.96 -1.87 0.00 0.00 176.76 176.85 1itp h GLN 58 N 0.52 0.74 0.30 3.97 4.20 0.68 -1.38 115.11 124.14 1itp h GLN 58 Ca 0.00 -0.71 -0.01 0.00 0.06 0.00 0.00 58.65 57.98 1itp h GLN 58 Cb 0.52 0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1itp h GLN 58 CO 0.00 1.30 -0.14 0.78 -0.67 0.00 0.00 178.83 180.10 1itp h GLY 59 N 0.45 -0.42 1.22 3.46 0.00 -0.53 -1.78 103.07 105.47 1itp h GLY 59 Ca -0.10 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1itp h GLY 59 CO 0.19 -0.15 0.00 1.47 0.00 0.00 0.00 176.54 178.04 1itp n LEU 60 N -5.22 0.00 -4.25 3.11 -0.00 -1.25 -4.88 117.00 104.51 1itp n LEU 60 Ca -0.10 0.11 -0.42 0.00 -0.00 0.00 0.00 56.01 55.60 1itp n LEU 60 Cb 0.21 -0.11 -0.00 0.00 -0.00 0.00 0.00 43.42 43.52 1itp n LEU 60 CO 0.34 -0.02 -0.42 1.67 -0.00 0.00 0.00 177.39 178.96 1itp n GLN 61 N -1.11 0.00 0.00 1.47 7.27 -0.52 -1.93 117.38 122.56 1itp n GLN 61 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.23 1itp n GLN 61 Cb 0.13 -0.99 0.00 0.00 2.41 0.00 0.00 30.24 31.79 1itp n GLN 61 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1itp n GLY 62 N 2.30 3.10 0.35 1.69 0.00 -0.48 -4.73 105.19 107.42 1itp n GLY 62 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.17 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 0.02 1.93 0.00 1.61 -0.08 -0.81 -4.77 116.55 114.45 1itp n ASP 63 Ca 0.00 -1.52 0.00 0.00 -1.51 0.00 0.00 54.79 51.76 1itp n ASP 63 Cb 0.00 -0.05 0.00 0.00 2.34 0.00 0.00 41.12 43.41 1itp n ASP 63 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1itp n LEU 64 N 0.36 0.00 -4.58 -2.67 7.94 -1.25 -4.95 117.00 111.85 1itp n LEU 64 Ca 0.05 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.57 1itp n LEU 64 Cb 0.24 0.18 -0.10 0.00 0.53 0.00 0.00 43.42 44.27 1itp n LEU 64 CO 0.05 -0.30 -0.10 -0.63 -1.11 0.00 0.00 177.39 175.30 1itp s ILE 65 N -1.61 5.27 -0.01 1.96 -1.09 -1.26 -2.86 121.20 121.61 1itp s ILE 65 Ca 0.00 0.20 -0.11 0.00 -2.23 0.00 0.00 60.65 58.51 1itp s ILE 65 Cb 0.00 -3.61 -0.32 0.00 -1.58 0.00 0.00 42.46 36.95 1itp s ILE 65 CO 0.00 0.17 0.84 -0.78 -1.23 0.00 0.00 174.94 173.94 1itp h ASP 66 N 8.35 0.65 -3.67 3.58 3.58 -1.27 -1.26 116.42 126.38 1itp h ASP 66 Ca -0.33 -0.83 -0.15 0.00 0.42 0.00 0.00 57.03 56.13 1itp h ASP 66 Cb 1.18 -0.21 -0.26 0.00 1.72 0.00 0.00 39.33 41.75 1itp h ASP 66 CO 0.59 1.68 -0.37 -0.44 -2.88 0.00 0.00 179.24 177.82 1itp s SER 67 N -7.33 -0.34 -0.17 2.28 0.01 -1.24 -4.93 113.70 101.98 1itp s SER 67 Ca -0.12 0.64 0.01 0.00 1.31 0.00 0.00 55.95 57.79 1itp s SER 67 Cb 0.05 0.61 0.02 0.00 0.21 0.00 0.00 66.02 66.91 1itp s SER 67 CO 0.89 -0.13 -0.19 -0.51 0.41 0.00 0.00 173.24 173.71 1itp s ILE 68 N 0.54 1.94 -0.63 1.44 2.07 -1.26 -0.09 121.20 125.20 1itp s ILE 68 Ca -0.03 -0.86 0.06 0.00 -1.41 0.00 0.00 60.65 58.41 1itp s ILE 68 Cb -0.05 -1.76 0.24 0.00 0.13 0.00 0.00 42.46 41.03 1itp s ILE 68 CO -0.03 0.52 0.72 1.21 -1.91 0.00 0.00 174.94 175.45 1itp n GLU 69 N 4.64 2.38 -1.93 3.50 2.13 0.53 -5.00 120.64 126.89 1itp n GLU 69 Ca -0.20 -4.58 -0.42 0.00 0.66 0.00 0.00 57.16 52.62 1itp n GLU 69 Cb 0.50 -2.20 -0.03 0.00 0.27 0.00 0.00 31.44 29.99 1itp n GLU 69 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1itp s GLU 70 N -2.34 4.20 -0.09 5.31 1.03 -1.26 -2.23 118.70 123.31 1itp s GLU 70 Ca 0.39 2.34 0.14 0.00 0.03 0.00 0.00 54.97 57.87 1itp s GLU 70 Cb 0.14 -3.45 0.21 0.00 -0.80 0.00 0.00 34.13 30.23 1itp s GLU 70 CO -0.03 -0.69 1.10 -3.47 -1.33 0.00 0.00 175.26 170.85 1itp n ASP 71 N 5.04 1.80 0.00 0.83 -0.08 -0.94 -4.86 116.55 118.36 1itp n ASP 71 Ca 0.15 -2.78 0.00 0.00 -1.51 0.00 0.00 54.79 50.66 1itp n ASP 71 Cb 0.40 -0.35 0.00 0.00 2.34 0.00 0.00 41.12 43.50 1itp n ASP 71 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1itp n GLY 72 N -1.07 -1.86 3.62 0.27 0.00 -0.93 -4.15 105.19 101.07 1itp n GLY 72 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.67 5.29 -0.15 -0.61 2.07 -1.23 -4.44 121.20 120.45 1itp s ILE 73 Ca 0.00 0.30 -0.03 0.00 -1.41 0.00 0.00 60.65 59.51 1itp s ILE 73 Cb 0.00 -3.57 -0.08 0.00 0.13 0.00 0.00 42.46 38.93 1itp s ILE 73 CO 0.00 0.26 -0.16 0.55 -1.91 0.00 0.00 174.94 173.67 1itp n VAL 74 N 4.79 0.85 -1.59 4.00 3.14 -1.26 -5.12 118.33 123.13 1itp n VAL 74 Ca -0.13 -0.27 0.03 0.00 -2.96 0.00 0.00 64.34 61.01 1itp n VAL 74 Cb 0.52 -1.36 -0.02 0.00 -1.06 0.00 0.00 33.84 31.92 1itp n VAL 74 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 1itp n THR 75 N -3.31 -2.65 0.00 1.55 -1.04 -1.26 -4.57 114.28 103.00 1itp n THR 75 Ca -0.28 1.41 0.00 0.00 -2.04 0.00 0.00 64.05 63.13 1itp n THR 75 Cb 0.75 -2.32 0.00 0.00 -1.82 0.00 0.00 70.33 66.94 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 -2.93 0.00 1.98 12.58 -1.04 -1.26 -5.28 114.28 118.33 1itp n THR 76 Ca -0.02 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.15 1itp n THR 76 Cb 0.53 0.00 0.93 0.00 -1.82 0.00 0.00 70.33 69.97 1itp n THR 76 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10