#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1itp s SER 2 N 0.00 -0.35 -0.07 1.61 1.04 -1.26 -5.05 113.70 109.62 1itp s SER 2 Ca 0.00 0.63 -0.26 0.00 0.48 0.00 0.00 55.95 56.80 1itp s SER 2 Cb 0.00 0.81 -0.23 0.00 0.10 0.00 0.00 66.02 66.70 1itp s SER 2 CO 0.00 -0.11 1.02 0.00 0.98 0.00 0.00 173.24 175.13 1itp h ALA 3 N 4.54 0.02 0.00 5.32 0.00 -1.70 -3.45 119.26 123.99 1itp h ALA 3 Ca -0.28 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1itp h ALA 3 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1itp h ALA 3 CO 0.16 -0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.79 1itp n GLY 4 N 0.98 -0.61 3.51 0.00 0.00 -1.24 0.24 105.19 108.08 1itp n GLY 4 Ca -0.09 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.78 3.34 0.32 1.61 1.02 -1.26 -2.01 119.74 120.98 1itp s LYS 5 Ca 0.00 -0.63 0.07 0.00 0.02 0.00 0.00 55.97 55.43 1itp s LYS 5 Cb 0.00 -3.88 -0.02 0.00 -0.52 0.00 0.00 37.83 33.41 1itp s LYS 5 CO 0.00 -0.64 0.38 -0.06 -0.92 0.00 0.00 175.35 174.11 1itp s PHE 6 N 1.97 3.07 -0.30 3.18 0.40 0.04 -3.72 117.98 122.62 1itp s PHE 6 Ca 0.10 -0.22 -0.03 0.00 -0.60 0.00 0.00 56.93 56.18 1itp s PHE 6 Cb -0.17 -1.85 0.11 0.00 0.51 0.00 0.00 43.02 41.62 1itp s PHE 6 CO 0.12 0.14 0.15 0.96 0.70 0.00 0.00 175.22 177.29 1itp s ILE 7 N -2.20 -0.07 0.33 0.64 -4.36 -0.90 -2.51 121.20 112.14 1itp s ILE 7 Ca 0.42 -0.86 0.07 0.00 -0.26 0.00 0.00 60.65 60.01 1itp s ILE 7 Cb -0.08 -0.99 -0.02 0.00 1.25 0.00 0.00 42.46 42.62 1itp s ILE 7 CO 0.29 -0.75 0.41 0.68 0.24 0.00 0.00 174.94 175.81 1itp s VAL 8 N 1.98 3.99 0.26 8.37 -7.23 -1.14 -0.79 120.40 125.85 1itp s VAL 8 Ca 0.10 -1.10 0.03 0.00 -1.81 0.00 0.00 61.98 59.20 1itp s VAL 8 Cb -0.17 -3.37 -0.04 0.00 0.56 0.00 0.00 36.38 33.37 1itp s VAL 8 CO -0.32 -0.17 0.20 -0.63 -0.31 0.00 0.00 175.10 173.87 1itp s ILE 9 N -2.20 0.02 0.01 -0.62 1.09 0.49 -2.36 121.20 117.63 1itp s ILE 9 Ca 0.43 -2.00 0.03 0.00 -1.10 0.00 0.00 60.65 58.01 1itp s ILE 9 Cb -0.08 -2.50 -0.01 0.00 -1.06 0.00 0.00 42.46 38.80 1itp s ILE 9 CO 0.30 0.00 -0.08 -0.36 -0.10 0.00 0.00 174.94 174.69 1itp s PHE 10 N -3.81 0.73 0.88 3.97 0.08 -0.85 -2.74 117.98 116.24 1itp s PHE 10 Ca 0.40 -0.22 -0.13 0.00 0.12 0.00 0.00 56.93 57.09 1itp s PHE 10 Cb 0.05 -0.46 0.20 0.00 -0.57 0.00 0.00 43.02 42.25 1itp s PHE 10 CO 0.19 -0.02 0.46 0.36 -0.10 0.00 0.00 175.22 176.11 1itp n LYS 11 N 2.49 -2.50 -1.09 0.44 2.85 -1.25 -4.57 118.16 114.54 1itp n LYS 11 Ca -0.16 -0.77 -0.25 0.00 -1.05 0.00 0.00 58.31 56.09 1itp n LYS 11 Cb 0.57 -1.19 0.09 0.00 -0.65 0.00 0.00 35.03 33.85 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 -3.16 5.88 0.00 -5.58 5.15 -1.26 -4.02 115.26 112.27 1itp n ASN 12 Ca 0.07 -3.42 0.00 0.00 -0.60 0.00 0.00 54.58 50.63 1itp n ASN 12 Cb 0.32 -0.92 0.00 0.00 -0.53 0.00 0.00 39.78 38.65 1itp n ASN 12 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1itp n ASP 13 N -0.56 1.46 -4.00 1.20 9.92 -1.26 -5.07 116.55 118.23 1itp n ASP 13 Ca 0.49 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 54.38 1itp n ASP 13 Cb 0.93 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 41.41 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 -2.60 0.16 -2.46 2.53 3.14 -1.26 -4.95 118.33 112.90 1itp n VAL 14 Ca 0.00 -0.47 -0.20 0.00 -2.96 0.00 0.00 64.34 60.71 1itp n VAL 14 Cb 0.39 0.00 0.11 0.00 -1.06 0.00 0.00 33.84 33.27 1itp n VAL 14 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1itp n SER 15 N 2.31 1.00 0.05 6.55 3.41 -1.26 -4.97 113.62 120.71 1itp n SER 15 Ca 0.08 -1.88 -0.07 0.00 -0.26 0.00 0.00 58.87 56.74 1itp n SER 15 Cb 0.42 -0.57 -0.05 0.00 -0.26 0.00 0.00 64.21 63.76 1itp n SER 15 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1itp h GLU 16 N 0.00 -0.23 -0.62 4.33 4.81 -2.00 -2.60 114.58 118.27 1itp h GLU 16 Ca -0.28 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.07 1itp h GLU 16 Cb 1.01 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.40 1itp h GLU 16 CO 0.29 0.04 0.42 -0.44 -0.73 0.00 0.00 179.01 178.59 1itp h ASP 17 N -1.00 0.38 -0.35 1.04 5.19 -1.99 0.10 116.42 119.79 1itp h ASP 17 Ca -0.02 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.38 1itp h ASP 17 Cb 0.38 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.80 1itp h ASP 17 CO 0.04 0.23 0.17 0.11 -3.12 0.00 0.00 179.24 176.67 1itp h LYS 18 N 0.42 0.49 0.16 3.56 6.56 -1.96 0.16 116.57 125.97 1itp h LYS 18 Ca 0.29 -0.07 0.02 0.00 -1.06 0.00 0.00 60.65 59.82 1itp h LYS 18 Cb 0.57 -0.09 -0.04 0.00 -0.57 0.00 0.00 32.23 32.10 1itp h LYS 18 CO -0.08 0.44 -0.42 0.82 -2.06 0.00 0.00 179.45 178.15 1itp h ILE 19 N 0.42 0.16 -0.41 1.86 2.04 -0.57 0.36 117.51 121.37 1itp h ILE 19 Ca 0.12 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.03 1itp h ILE 19 Cb 0.11 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 1itp h ILE 19 CO -0.02 0.00 0.28 0.03 0.00 0.00 0.00 178.15 178.44 1itp h ARG 20 N -0.68 0.34 0.48 2.37 3.08 -1.28 -2.72 114.38 115.97 1itp h ARG 20 Ca 0.01 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1itp h ARG 20 Cb 0.69 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1itp h ARG 20 CO -0.22 0.23 -0.23 0.93 -1.07 0.00 0.00 179.97 179.61 1itp h GLU 21 N 0.36 -0.62 -0.94 0.04 5.08 0.11 -0.92 114.58 117.69 1itp h GLU 21 Ca 0.17 0.04 0.28 0.00 -1.00 0.00 0.00 59.36 58.86 1itp h GLU 21 Cb 0.25 0.14 -0.17 0.00 0.50 0.00 0.00 28.75 29.47 1itp h GLU 21 CO -0.04 -0.42 0.10 2.41 -1.00 0.00 0.00 179.01 180.07 1itp n THR 22 N -4.09 -0.39 0.17 1.13 -1.04 0.11 0.15 114.28 110.33 1itp n THR 22 Ca -0.08 2.03 -0.14 0.00 -2.04 0.00 0.00 64.05 63.82 1itp n THR 22 Cb 0.26 -3.02 -0.08 0.00 -1.82 0.00 0.00 70.33 65.66 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 -0.39 -0.97 -2.82 6.56 -1.41 -2.39 116.57 115.16 1itp h LYS 23 Ca 0.61 0.03 0.08 0.00 -1.06 0.00 0.00 60.65 60.30 1itp h LYS 23 Cb 1.33 0.09 -0.07 0.00 -0.57 0.00 0.00 32.23 33.01 1itp h LYS 23 CO -0.85 -0.17 0.63 -0.44 -2.06 0.00 0.00 179.45 176.55 1itp h ASP 24 N -0.54 0.97 -0.77 0.86 3.32 0.22 0.18 116.42 120.67 1itp h ASP 24 Ca -0.04 0.02 0.13 0.00 0.02 0.00 0.00 57.03 57.16 1itp h ASP 24 Cb 0.40 -0.19 -0.09 0.00 0.22 0.00 0.00 39.33 39.67 1itp h ASP 24 CO 0.07 0.60 0.34 -0.33 -1.72 0.00 0.00 179.24 178.20 1itp h GLU 25 N 1.09 0.50 -0.04 3.56 4.39 0.18 0.28 114.58 124.55 1itp h GLU 25 Ca 0.43 -0.03 -0.16 0.00 0.34 0.00 0.00 59.36 59.94 1itp h GLU 25 Cb 0.25 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1itp h GLU 25 CO -0.18 0.33 -0.60 -0.24 -1.16 0.00 0.00 179.01 177.17 1itp h VAL 26 N 0.52 1.40 -0.85 3.13 3.04 -0.66 -1.03 116.25 121.80 1itp h VAL 26 Ca 0.41 -2.00 0.18 0.00 -1.01 0.00 0.00 66.70 64.28 1itp h VAL 26 Cb 0.58 2.44 -0.11 0.00 -2.01 0.00 0.00 31.29 32.19 1itp h VAL 26 CO -0.36 0.59 0.39 0.40 -1.01 0.00 0.00 177.57 177.57 1itp h ILE 27 N 0.01 0.61 0.00 3.17 1.08 0.49 1.34 117.51 124.21 1itp h ILE 27 Ca -0.06 -0.17 -0.08 0.00 -0.39 0.00 0.00 64.86 64.16 1itp h ILE 27 Cb 1.28 0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 35.09 1itp h ILE 27 CO 0.12 0.09 -0.38 0.00 -0.69 0.00 0.00 178.15 177.29 1itp h ALA 28 N 1.62 0.77 -0.43 1.87 0.00 -0.49 -3.36 119.26 119.24 1itp h ALA 28 Ca 0.49 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1itp h ALA 28 Cb 0.81 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1itp h ALA 28 CO -0.44 0.48 0.00 -1.91 0.00 0.00 0.00 179.25 177.38 1itp n GLU 29 N -3.23 0.00 0.00 0.00 2.13 0.26 -5.04 120.64 114.77 1itp n GLU 29 Ca 0.02 0.43 0.00 0.00 0.66 0.00 0.00 57.16 58.27 1itp n GLU 29 Cb 0.66 -1.03 0.00 0.00 0.27 0.00 0.00 31.44 31.35 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 1.48 -1.91 3.11 8.31 0.00 0.39 -5.06 105.19 111.52 1itp n GLY 30 Ca 0.00 0.52 -0.36 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.45 -2.90 3.23 -0.02 0.00 -1.23 -4.74 105.19 98.08 1itp n GLY 31 Ca 0.00 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 1itp n GLY 31 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1itp n THR 32 N -3.78 0.00 -4.97 2.61 -1.04 0.19 -3.40 114.28 103.89 1itp n THR 32 Ca -0.01 -2.42 -0.28 0.00 -2.04 0.00 0.00 64.05 59.30 1itp n THR 32 Cb 0.69 1.14 -0.16 0.00 -1.82 0.00 0.00 70.33 70.18 1itp n THR 32 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1itp s ILE 33 N -3.30 1.65 -0.04 12.58 -1.09 -1.26 -1.59 121.20 128.14 1itp s ILE 33 Ca 0.36 -0.82 0.06 0.00 -2.23 0.00 0.00 60.65 58.02 1itp s ILE 33 Cb 0.02 -1.42 -0.08 0.00 -1.58 0.00 0.00 42.46 39.39 1itp s ILE 33 CO 0.26 0.47 0.06 1.07 -1.23 0.00 0.00 174.94 175.57 1itp n THR 34 N 3.30 0.26 -3.71 2.92 5.66 -1.01 -4.91 114.28 116.78 1itp n THR 34 Ca -0.19 -0.21 -0.10 0.00 -3.05 0.00 0.00 64.05 60.50 1itp n THR 34 Cb 0.53 -0.41 -0.04 0.00 -1.55 0.00 0.00 70.33 68.86 1itp n THR 34 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1itp s ASN 35 N -3.37 -0.26 0.26 1.09 0.01 -0.47 -5.00 114.94 107.20 1itp s ASN 35 Ca -0.03 -0.44 0.01 0.00 -0.71 0.00 0.00 52.86 51.69 1itp s ASN 35 Cb 0.03 0.56 -0.05 0.00 0.41 0.00 0.00 41.25 42.19 1itp s ASN 35 CO 0.25 -1.01 0.09 -1.83 -1.51 0.00 0.00 177.10 173.09 1itp s GLU 36 N -3.86 1.40 -0.44 -0.60 1.03 -1.26 -0.47 118.70 114.51 1itp s GLU 36 Ca 0.08 -1.76 0.02 0.00 0.03 0.00 0.00 54.97 53.35 1itp s GLU 36 Cb -0.00 -0.28 0.13 0.00 -0.80 0.00 0.00 34.13 33.18 1itp s GLU 36 CO -0.05 -0.28 0.23 0.71 -1.33 0.00 0.00 175.26 174.54 1itp s TYR 37 N -3.74 2.20 -1.21 4.83 2.02 0.11 -4.78 117.35 116.78 1itp s TYR 37 Ca 0.37 -2.51 -0.13 0.00 -0.37 0.00 0.00 57.07 54.43 1itp s TYR 37 Cb 0.08 -2.05 0.18 0.00 -0.40 0.00 0.00 41.96 39.76 1itp s TYR 37 CO 0.13 -0.79 1.43 0.27 -1.57 0.00 0.00 175.55 175.03 1itp n ASN 38 N 3.59 5.24 -4.69 2.29 0.23 -1.26 -2.47 115.26 118.18 1itp n ASN 38 Ca 0.07 -2.99 -0.24 0.00 -0.53 0.00 0.00 54.58 50.90 1itp n ASN 38 Cb 0.35 -1.56 -0.07 0.00 -2.08 0.00 0.00 39.78 36.42 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 1.35 2.28 -0.03 -3.83 -1.94 -0.40 -5.06 119.30 111.67 1itp s MET 39 Ca 0.42 -1.60 -0.04 0.00 -1.71 0.00 0.00 55.69 52.76 1itp s MET 39 Cb -0.03 -2.10 -0.02 0.00 2.01 0.00 0.00 34.83 34.69 1itp s MET 39 CO -0.00 0.14 0.31 -1.00 -0.01 0.00 0.00 175.02 174.45 1itp h PRO 40 N 1.65 -0.14 0.00 2.03 0.13 -2.03 -3.32 132.00 130.32 1itp h PRO 40 Ca -0.43 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1itp h PRO 40 Cb 1.25 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1itp h PRO 40 CO 0.64 -0.09 0.00 0.41 -0.23 0.00 0.00 178.00 178.73 1itp n GLY 41 N 1.11 -0.95 2.90 1.56 0.00 -1.26 -4.70 105.19 103.84 1itp n GLY 41 Ca -0.02 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 0.06 -0.32 1.61 -2.45 -1.25 -5.09 119.30 109.86 1itp s MET 42 Ca 0.40 0.23 -0.02 0.00 -1.25 0.00 0.00 55.69 55.05 1itp s MET 42 Cb 0.19 -0.11 0.12 0.00 1.25 0.00 0.00 34.83 36.27 1itp s MET 42 CO 0.31 -0.11 0.17 -1.59 1.05 0.00 0.00 175.02 174.86 1itp s LYS 43 N 0.71 0.37 0.00 4.11 -2.85 -1.26 -1.28 119.74 119.55 1itp s LYS 43 Ca -0.06 -0.93 0.00 0.00 -1.00 0.00 0.00 55.97 53.98 1itp s LYS 43 Cb -0.08 -1.23 0.00 0.00 -2.06 0.00 0.00 37.83 34.46 1itp s LYS 43 CO -0.03 -1.12 0.00 0.41 0.10 0.00 0.00 175.35 174.71 1itp n GLY 44 N 4.64 3.54 3.40 0.59 0.00 -1.03 -2.01 105.19 114.32 1itp n GLY 44 Ca 0.03 -1.41 -0.11 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 -3.86 -0.26 0.12 1.61 -0.12 -0.99 0.08 117.98 114.55 1itp s PHE 45 Ca 0.00 -0.04 0.07 0.00 -0.05 0.00 0.00 56.93 56.91 1itp s PHE 45 Cb 0.00 0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 42.72 1itp s PHE 45 CO 0.00 -0.80 -0.16 0.00 -0.05 0.00 0.00 175.22 174.21 1itp s ALA 46 N -3.81 1.61 0.00 1.99 0.00 0.38 -2.89 121.76 119.04 1itp s ALA 46 Ca 0.04 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.72 1itp s ALA 46 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1itp s ALA 46 CO -0.10 0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.25 1itp n GLY 47 N 0.68 -0.54 3.83 0.00 0.00 -1.04 -1.36 105.19 106.75 1itp n GLY 47 Ca -0.16 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.65 1itp n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1itp s GLU 48 N -1.09 3.71 0.00 1.61 2.12 -0.62 -0.78 118.70 123.65 1itp s GLU 48 Ca 0.00 -0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.24 1itp s GLU 48 Cb 0.00 -3.26 0.00 0.00 0.26 0.00 0.00 34.13 31.13 1itp s GLU 48 CO 0.00 0.62 0.00 1.28 -0.54 0.00 0.00 175.26 176.62 1itp n LEU 49 N 2.43 0.00 0.00 2.70 4.32 -0.85 0.52 117.00 126.12 1itp n LEU 49 Ca -0.18 0.00 -0.06 0.00 -0.02 0.00 0.00 56.01 55.74 1itp n LEU 49 Cb 0.54 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.33 1itp n LEU 49 CO 0.33 0.00 0.09 0.41 -1.22 0.00 0.00 177.39 177.00 1itp n THR 50 N 0.00 0.00 0.08 -5.08 -1.04 -1.26 -2.44 114.28 104.54 1itp n THR 50 Ca 0.00 -0.79 -0.09 0.00 -2.04 0.00 0.00 64.05 61.13 1itp n THR 50 Cb 0.00 0.50 0.01 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 0.27 0.14 -2.82 0.13 -1.99 -2.57 132.00 125.16 1itp h PRO 51 Ca -0.13 -0.26 -0.01 0.00 -0.87 0.00 0.00 66.00 64.73 1itp h PRO 51 Cb 0.54 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.74 1itp h PRO 51 CO 0.17 0.95 -0.07 0.37 -0.23 0.00 0.00 178.00 179.19 1itp h GLN 52 N 0.16 -0.19 -0.73 0.86 4.15 -2.01 -2.85 115.11 114.51 1itp h GLN 52 Ca -0.04 0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.44 1itp h GLN 52 Cb 1.42 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 29.11 1itp h GLN 52 CO 0.13 0.12 0.48 0.77 -1.93 0.00 0.00 178.83 178.40 1itp h SER 53 N -0.50 0.72 0.00 -0.69 0.02 -1.97 -2.65 113.55 108.48 1itp h SER 53 Ca -0.02 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1itp h SER 53 Cb 0.39 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1itp h SER 53 CO 0.03 0.48 0.00 0.18 -1.14 0.00 0.00 176.83 176.39 1itp n LEU 54 N -4.47 0.00 -0.61 5.07 4.77 -0.97 -1.38 117.00 119.41 1itp n LEU 54 Ca 0.10 0.71 0.48 0.00 -0.03 0.00 0.00 56.01 57.26 1itp n LEU 54 Cb 0.17 -0.21 0.76 0.00 -2.33 0.00 0.00 43.42 41.81 1itp n LEU 54 CO 0.34 -0.21 1.36 0.41 -1.33 0.00 0.00 177.39 177.97 1itp n THR 55 N -1.39 -0.09 0.01 -5.08 -1.04 -1.09 0.21 114.28 105.81 1itp n THR 55 Ca 0.00 1.58 -0.03 0.00 -2.04 0.00 0.00 64.05 63.56 1itp n THR 55 Cb 0.00 -2.61 -0.02 0.00 -1.82 0.00 0.00 70.33 65.88 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 -0.11 0.10 -2.82 3.11 -0.85 0.83 116.57 116.83 1itp h LYS 56 Ca 0.90 0.01 -0.35 0.00 -2.81 0.00 0.00 60.65 58.40 1itp h LYS 56 Cb 3.37 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 34.61 1itp h LYS 56 CO -0.18 -0.07 -1.96 1.97 -2.81 0.00 0.00 179.45 176.40 1itp n PHE 57 N -3.03 1.14 -0.30 1.91 1.16 0.46 -3.76 117.46 115.04 1itp n PHE 57 Ca -0.01 0.27 0.12 0.00 -1.87 0.00 0.00 57.45 55.95 1itp n PHE 57 Cb 0.07 -1.15 0.35 0.00 -1.61 0.00 0.00 39.48 37.14 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 -0.06 0.73 0.34 3.97 4.15 0.25 1.49 115.11 125.97 1itp h GLN 58 Ca -0.43 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 58.93 1itp h GLN 58 Cb 1.94 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 29.47 1itp h GLN 58 CO 0.04 0.48 -0.16 0.78 -1.93 0.00 0.00 178.83 178.03 1itp h GLY 59 N 0.75 -0.48 0.82 2.39 0.00 -0.87 -2.52 103.07 103.16 1itp h GLY 59 Ca 0.49 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.99 1itp h GLY 59 CO -0.25 -0.17 0.00 1.47 0.00 0.00 0.00 176.54 177.59 1itp n LEU 60 N -5.18 0.00 -3.89 3.11 -0.00 -0.76 -4.90 117.00 105.38 1itp n LEU 60 Ca -0.10 0.00 -0.35 0.00 -0.00 0.00 0.00 56.01 55.56 1itp n LEU 60 Cb 0.26 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 43.71 1itp n LEU 60 CO 0.32 0.00 -1.20 1.67 -0.00 0.00 0.00 177.39 178.18 1itp n GLN 61 N -0.91 0.00 -0.56 1.47 7.27 0.50 -2.89 117.38 122.26 1itp n GLN 61 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.26 1itp n GLN 61 Cb 0.09 -0.96 0.00 0.00 2.41 0.00 0.00 30.24 31.77 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 3.24 0.88 0.43 1.69 0.00 -1.02 -4.81 105.19 105.60 1itp n GLY 62 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 2.07 0.00 1.61 -0.08 -1.14 -4.82 116.55 114.19 1itp n ASP 63 Ca 0.00 0.01 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 1itp n ASP 63 Cb 0.00 -0.09 0.00 0.00 2.34 0.00 0.00 41.12 43.37 1itp n ASP 63 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1itp n LEU 64 N -2.88 0.51 -4.09 -2.67 -0.00 -1.26 -4.87 117.00 101.73 1itp n LEU 64 Ca -0.07 -0.51 -0.32 0.00 -0.00 0.00 0.00 56.01 55.10 1itp n LEU 64 Cb 0.56 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.83 1itp n LEU 64 CO 0.02 0.13 -0.50 -0.63 -0.00 0.00 0.00 177.39 176.41 1itp s ILE 65 N -0.09 2.10 -0.00 1.47 -1.09 -1.26 -3.96 121.20 118.36 1itp s ILE 65 Ca 0.00 -1.27 -0.03 0.00 -2.23 0.00 0.00 60.65 57.12 1itp s ILE 65 Cb 0.00 -2.05 -0.28 0.00 -1.58 0.00 0.00 42.46 38.55 1itp s ILE 65 CO 0.00 0.27 0.83 -0.78 -1.23 0.00 0.00 174.94 174.03 1itp h ASP 66 N 7.86 0.40 -5.00 3.58 3.58 -1.76 -2.69 116.42 122.39 1itp h ASP 66 Ca -0.33 -0.57 -0.07 0.00 0.42 0.00 0.00 57.03 56.49 1itp h ASP 66 Cb 1.09 -0.13 -0.18 0.00 1.72 0.00 0.00 39.33 41.83 1itp h ASP 66 CO 0.55 1.47 0.07 -0.44 -2.88 0.00 0.00 179.24 178.02 1itp s SER 67 N -6.98 -0.53 -0.01 2.28 0.01 -1.26 -4.97 113.70 102.24 1itp s SER 67 Ca -0.10 0.46 -0.00 0.00 1.31 0.00 0.00 55.95 57.63 1itp s SER 67 Cb 0.07 0.49 0.02 0.00 0.21 0.00 0.00 66.02 66.81 1itp s SER 67 CO 0.85 -0.62 0.02 -0.51 0.41 0.00 0.00 173.24 173.40 1itp s ILE 68 N -1.57 -0.04 -0.56 1.44 1.10 -1.26 -0.38 121.20 119.93 1itp s ILE 68 Ca -0.10 0.14 0.04 0.00 -0.51 0.00 0.00 60.65 60.22 1itp s ILE 68 Cb -0.01 -0.06 0.16 0.00 0.15 0.00 0.00 42.46 42.70 1itp s ILE 68 CO 0.06 0.06 0.40 -0.70 -2.11 0.00 0.00 174.94 172.64 1itp s GLU 69 N 0.68 1.74 0.16 3.50 2.12 0.03 -4.99 118.70 121.93 1itp s GLU 69 Ca -0.06 -2.71 -0.30 0.00 0.36 0.00 0.00 54.97 52.26 1itp s GLU 69 Cb -0.08 -2.56 -0.08 0.00 0.26 0.00 0.00 34.13 31.67 1itp s GLU 69 CO -0.02 -1.30 1.28 -2.00 -0.54 0.00 0.00 175.26 172.68 1itp s GLU 70 N -0.65 4.41 -0.01 4.30 2.12 -1.26 -2.11 118.70 125.49 1itp s GLU 70 Ca 0.27 1.97 0.02 0.00 0.36 0.00 0.00 54.97 57.58 1itp s GLU 70 Cb -0.05 -3.24 0.02 0.00 0.26 0.00 0.00 34.13 31.13 1itp s GLU 70 CO -0.15 -0.25 0.76 -3.47 -0.54 0.00 0.00 175.26 171.60 1itp n ASP 71 N 3.08 0.69 -4.75 -1.70 -0.08 -1.24 -5.00 116.55 107.55 1itp n ASP 71 Ca 0.07 -1.58 -0.33 0.00 -1.51 0.00 0.00 54.79 51.44 1itp n ASP 71 Cb 0.44 -0.07 -0.08 0.00 2.34 0.00 0.00 41.12 43.75 1itp n ASP 71 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1itp s GLY 72 N -0.65 1.97 0.01 0.27 0.00 -1.26 -4.31 107.32 103.36 1itp s GLY 72 Ca 0.03 -0.89 0.02 0.00 0.00 0.00 0.00 44.72 43.87 1itp s GLY 72 CO 0.00 -0.76 -0.06 -0.42 0.00 0.00 0.00 173.10 171.87 1itp s ILE 73 N -1.15 0.43 -0.72 0.90 1.01 0.14 -4.72 121.20 117.08 1itp s ILE 73 Ca 0.22 -0.50 0.03 0.00 0.00 0.00 0.00 60.65 60.39 1itp s ILE 73 Cb -0.12 -0.42 0.34 0.00 0.01 0.00 0.00 42.46 42.28 1itp s ILE 73 CO 0.12 -0.06 1.32 0.55 0.00 0.00 0.00 174.94 176.87 1itp n VAL 74 N 2.45 3.98 -3.61 2.92 3.14 -1.26 -4.48 118.33 121.46 1itp n VAL 74 Ca -0.16 -5.54 -0.05 0.00 -2.96 0.00 0.00 64.34 55.62 1itp n VAL 74 Cb 0.57 -1.42 -0.04 0.00 -1.06 0.00 0.00 33.84 31.89 1itp n VAL 74 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1itp s THR 75 N -4.61 0.00 -0.28 1.55 -1.32 -1.26 -5.16 115.64 104.56 1itp s THR 75 Ca 0.46 0.00 -0.23 0.00 -1.21 0.00 0.00 61.69 60.71 1itp s THR 75 Cb 0.28 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 70.39 1itp s THR 75 CO -0.16 0.00 1.00 0.28 -2.21 0.00 0.00 174.62 173.53 1itp s THR 76 N -1.23 0.00 0.00 5.08 -1.32 -1.26 -5.23 115.64 111.68 1itp s THR 76 Ca 0.05 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.53 1itp s THR 76 Cb -0.01 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.98 1itp s THR 76 CO -0.04 0.00 0.50 1.67 -2.21 0.00 0.00 174.62 174.54