#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 0.00 0.01 1.61 7.64 -1.26 -4.94 113.62 116.68 1itp n SER 2 Ca 0.00 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.71 1itp n SER 2 Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.06 1itp n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1itp h ALA 3 N -2.00 0.49 0.00 -0.43 0.00 -1.80 -3.49 119.26 112.03 1itp h ALA 3 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 54.91 53.56 1itp h ALA 3 Cb 0.00 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1itp h ALA 3 CO 0.00 1.35 0.00 0.41 0.00 0.00 0.00 179.25 181.01 1itp n GLY 4 N 1.79 -1.21 3.64 0.00 0.00 -1.22 -2.12 105.19 106.07 1itp n GLY 4 Ca -0.24 -1.04 -0.37 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.22 4.05 0.28 1.61 -2.85 -1.26 -1.86 119.74 118.48 1itp s LYS 5 Ca 0.00 -0.18 0.09 0.00 -1.00 0.00 0.00 55.97 54.89 1itp s LYS 5 Cb 0.00 -3.59 -0.04 0.00 -2.06 0.00 0.00 37.83 32.14 1itp s LYS 5 CO 0.00 -0.06 0.03 -0.06 0.10 0.00 0.00 175.35 175.36 1itp s PHE 6 N 1.42 2.72 -0.30 1.78 0.40 0.22 -3.36 117.98 120.87 1itp s PHE 6 Ca 0.10 -0.24 -0.03 0.00 -0.60 0.00 0.00 56.93 56.16 1itp s PHE 6 Cb -0.15 -1.27 0.11 0.00 0.51 0.00 0.00 43.02 42.22 1itp s PHE 6 CO 0.07 0.58 0.15 0.42 0.70 0.00 0.00 175.22 177.14 1itp s ILE 7 N -2.33 -0.06 0.39 0.64 1.01 -0.90 -2.36 121.20 117.58 1itp s ILE 7 Ca 0.32 -0.84 0.08 0.00 0.00 0.00 0.00 60.65 60.21 1itp s ILE 7 Cb -0.06 -0.99 -0.02 0.00 0.01 0.00 0.00 42.46 41.40 1itp s ILE 7 CO 0.21 -0.74 0.35 0.68 0.00 0.00 0.00 174.94 175.43 1itp s VAL 8 N 2.01 2.95 0.10 2.92 -7.23 -1.13 -0.44 120.40 119.58 1itp s VAL 8 Ca 0.10 -1.34 -0.01 0.00 -1.81 0.00 0.00 61.98 58.92 1itp s VAL 8 Cb -0.17 -3.06 -0.04 0.00 0.56 0.00 0.00 36.38 33.68 1itp s VAL 8 CO -0.33 -0.06 0.01 -0.63 -0.31 0.00 0.00 175.10 173.78 1itp s ILE 9 N -2.41 0.21 -0.02 -0.62 1.09 0.51 -2.28 121.20 117.67 1itp s ILE 9 Ca 0.46 -1.87 0.07 0.00 -1.10 0.00 0.00 60.65 58.21 1itp s ILE 9 Cb -0.04 -1.82 -0.02 0.00 -1.06 0.00 0.00 42.46 39.52 1itp s ILE 9 CO 0.28 -0.71 -0.24 -0.36 -0.10 0.00 0.00 174.94 173.81 1itp s PHE 10 N -3.95 2.21 0.98 3.97 0.08 0.51 -1.64 117.98 120.14 1itp s PHE 10 Ca 0.16 -0.45 -0.16 0.00 0.12 0.00 0.00 56.93 56.61 1itp s PHE 10 Cb 0.08 -1.43 0.08 0.00 -0.57 0.00 0.00 43.02 41.18 1itp s PHE 10 CO -0.03 -0.06 -0.08 0.36 -0.10 0.00 0.00 175.22 175.30 1itp n LYS 11 N 2.54 -1.53 -0.88 0.44 2.85 -1.26 -4.57 118.16 115.75 1itp n LYS 11 Ca -0.16 -0.45 -0.18 0.00 -1.05 0.00 0.00 58.31 56.48 1itp n LYS 11 Cb 0.52 -1.40 0.07 0.00 -0.65 0.00 0.00 35.03 33.56 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 -0.19 5.51 0.00 -5.58 5.15 -1.26 -3.83 115.26 115.06 1itp n ASN 12 Ca 0.03 -3.10 0.00 0.00 -0.60 0.00 0.00 54.58 50.91 1itp n ASN 12 Cb 0.44 -0.92 0.00 0.00 -0.53 0.00 0.00 39.78 38.78 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 -0.09 1.42 -4.21 1.20 -0.08 -1.26 -5.07 116.55 108.46 1itp n ASP 13 Ca 0.35 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 53.25 1itp n ASP 13 Cb 0.81 0.00 0.01 0.00 2.34 0.00 0.00 41.12 44.28 1itp n ASP 13 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1itp n VAL 14 N -2.64 0.00 -2.82 5.18 3.14 -1.25 -4.93 118.33 115.01 1itp n VAL 14 Ca 0.00 -0.50 -0.24 0.00 -2.96 0.00 0.00 64.34 60.64 1itp n VAL 14 Cb 0.40 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.20 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 -1.00 5.84 0.07 6.55 1.04 -1.26 -4.94 113.70 119.99 1itp s SER 15 Ca 0.55 0.47 -0.28 0.00 0.48 0.00 0.00 55.95 57.17 1itp s SER 15 Cb -0.46 -1.67 -0.17 0.00 0.10 0.00 0.00 66.02 63.81 1itp s SER 15 CO 0.68 -0.76 1.60 -0.08 0.98 0.00 0.00 173.24 175.66 1itp h GLU 16 N 0.25 -0.43 -0.91 4.02 4.81 -1.99 0.58 114.58 120.91 1itp h GLU 16 Ca -0.46 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 58.86 1itp h GLU 16 Cb 1.25 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.67 1itp h GLU 16 CO 0.59 -0.24 0.59 -0.44 -0.73 0.00 0.00 179.01 178.78 1itp h ASP 17 N -0.51 0.91 -0.32 1.04 5.19 -1.99 -0.96 116.42 119.78 1itp h ASP 17 Ca -0.05 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1itp h ASP 17 Cb 0.39 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 1itp h ASP 17 CO 0.07 0.58 0.19 0.11 -3.12 0.00 0.00 179.24 177.08 1itp h LYS 18 N 1.03 0.43 0.20 3.56 1.79 -1.85 0.19 116.57 121.93 1itp h LYS 18 Ca 0.39 -0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.83 1itp h LYS 18 Cb 0.20 -0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 30.72 1itp h LYS 18 CO -0.15 0.34 -0.44 0.82 -1.08 0.00 0.00 179.45 178.94 1itp h ILE 19 N 0.41 0.12 -0.44 1.86 2.04 0.41 0.42 117.51 122.33 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 0.02 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.19 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 -0.73 0.26 0.31 2.37 3.08 -1.14 -2.13 114.38 116.41 1itp h ARG 20 Ca 0.00 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1itp h ARG 20 Cb 0.72 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.72 1itp h ARG 20 CO -0.21 0.17 -0.15 0.93 -1.07 0.00 0.00 179.97 179.65 1itp h GLU 21 N 0.27 -0.40 -1.00 0.04 5.08 0.13 -1.12 114.58 117.57 1itp h GLU 21 Ca 0.20 0.03 0.38 0.00 -1.00 0.00 0.00 59.36 58.97 1itp h GLU 21 Cb 0.44 0.09 -0.17 0.00 0.50 0.00 0.00 28.75 29.62 1itp h GLU 21 CO -0.04 -0.27 0.55 1.15 -1.00 0.00 0.00 179.01 179.40 1itp h THR 22 N -0.55 0.12 0.13 1.13 2.02 -0.02 1.77 112.91 117.52 1itp h THR 22 Ca -0.04 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1itp h THR 22 Cb 0.32 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 1itp h THR 22 CO 0.07 0.02 -0.06 0.11 0.37 0.00 0.00 175.52 176.03 1itp h LYS 23 N 0.13 -0.17 -0.73 6.66 1.57 -1.32 -2.03 116.57 120.66 1itp h LYS 23 Ca 0.80 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 59.54 1itp h LYS 23 Cb 2.02 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 34.34 1itp h LYS 23 CO -0.71 0.05 0.23 -0.44 -0.57 0.00 0.00 179.45 178.02 1itp h ASP 24 N -0.38 1.07 -0.99 0.86 5.19 0.20 -2.07 116.42 120.30 1itp h ASP 24 Ca -0.02 -0.21 0.18 0.00 -0.62 0.00 0.00 57.03 56.36 1itp h ASP 24 Cb 0.31 -0.28 -0.10 0.00 0.18 0.00 0.00 39.33 39.44 1itp h ASP 24 CO 0.03 0.99 0.61 -0.08 -3.12 0.00 0.00 179.24 177.68 1itp h GLU 25 N 1.09 0.71 -0.04 3.56 4.22 0.24 0.52 114.58 124.88 1itp h GLU 25 Ca 0.24 -0.04 -0.17 0.00 0.08 0.00 0.00 59.36 59.47 1itp h GLU 25 Cb 0.31 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1itp h GLU 25 CO -0.01 0.47 -0.71 -0.24 -2.18 0.00 0.00 179.01 176.34 1itp h VAL 26 N 0.73 1.43 0.70 0.32 3.04 -0.78 0.15 116.25 121.85 1itp h VAL 26 Ca 0.55 -2.24 -0.03 0.00 -1.01 0.00 0.00 66.70 63.96 1itp h VAL 26 Cb 0.89 2.19 0.01 0.00 -2.01 0.00 0.00 31.29 32.36 1itp h VAL 26 CO -0.32 0.66 -0.34 0.40 -1.01 0.00 0.00 177.57 176.96 1itp h ILE 27 N 0.15 0.14 -0.31 3.17 1.08 0.52 0.96 117.51 123.22 1itp h ILE 27 Ca -0.02 -0.25 -0.05 0.00 -0.39 0.00 0.00 64.86 64.15 1itp h ILE 27 Cb 1.26 0.19 -0.02 0.00 -3.07 0.00 0.00 36.82 35.18 1itp h ILE 27 CO 0.11 0.02 -0.01 0.00 -0.69 0.00 0.00 178.15 177.58 1itp h ALA 28 N -1.04 1.42 -0.53 1.87 0.00 -0.64 -3.26 119.26 117.09 1itp h ALA 28 Ca -0.10 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1itp h ALA 28 Cb 0.75 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1itp h ALA 28 CO 0.16 0.41 0.00 -1.91 0.00 0.00 0.00 179.25 177.91 1itp n GLU 29 N -4.29 0.00 0.07 0.00 0.00 0.53 -5.01 120.64 111.94 1itp n GLU 29 Ca 0.01 0.41 0.00 0.00 0.00 0.00 0.00 57.16 57.58 1itp n GLU 29 Cb 0.24 -1.22 0.00 0.00 0.00 0.00 0.00 31.44 30.46 1itp n GLU 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1itp n GLY 30 N 0.27 -1.83 3.08 8.31 0.00 0.31 -5.05 105.19 110.27 1itp n GLY 30 Ca 0.00 0.44 -0.33 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.67 3.29 -0.02 0.00 0.26 -4.69 105.19 99.88 1itp n GLY 31 Ca 0.00 -0.38 -0.18 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.08 0.10 -0.04 2.61 2.01 0.12 -2.86 115.64 115.50 1itp s THR 32 Ca 0.40 -2.00 0.02 0.00 0.31 0.00 0.00 61.69 60.42 1itp s THR 32 Cb 0.02 -2.49 0.02 0.00 0.01 0.00 0.00 72.50 70.05 1itp s THR 32 CO 0.59 0.00 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.83 1itp s ILE 33 N -3.61 0.68 -0.05 1.82 -1.09 -1.26 -1.73 121.20 115.97 1itp s ILE 33 Ca 0.38 -0.23 0.04 0.00 -2.23 0.00 0.00 60.65 58.62 1itp s ILE 33 Cb 0.04 -0.66 -0.06 0.00 -1.58 0.00 0.00 42.46 40.19 1itp s ILE 33 CO 0.22 0.25 0.03 1.07 -1.23 0.00 0.00 174.94 175.27 1itp n THR 34 N 3.86 0.31 -3.50 2.92 5.66 -0.90 -4.95 114.28 117.68 1itp n THR 34 Ca -0.24 -0.20 0.00 0.00 -3.05 0.00 0.00 64.05 60.56 1itp n THR 34 Cb 0.52 -0.77 -0.03 0.00 -1.55 0.00 0.00 70.33 68.50 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 -3.53 -1.20 0.42 1.09 -0.87 -0.57 -5.05 114.94 105.23 1itp s ASN 35 Ca -0.02 1.36 0.03 0.00 -1.57 0.00 0.00 52.86 52.66 1itp s ASN 35 Cb 0.02 2.25 0.00 0.00 -0.02 0.00 0.00 41.25 43.50 1itp s ASN 35 CO 0.20 -0.23 0.61 -1.83 -2.57 0.00 0.00 177.10 173.28 1itp s GLU 36 N 2.88 2.98 -0.63 -0.60 1.03 -1.26 -0.08 118.70 123.02 1itp s GLU 36 Ca 0.02 -0.79 0.01 0.00 0.03 0.00 0.00 54.97 54.24 1itp s GLU 36 Cb -0.13 -2.66 0.16 0.00 -0.80 0.00 0.00 34.13 30.70 1itp s GLU 36 CO -0.19 -0.22 0.42 0.71 -1.33 0.00 0.00 175.26 174.64 1itp s TYR 37 N -2.43 3.39 -1.25 4.83 1.51 0.88 -4.84 117.35 119.44 1itp s TYR 37 Ca 0.49 -3.00 -0.13 0.00 -1.01 0.00 0.00 57.07 53.42 1itp s TYR 37 Cb -0.10 -3.00 0.15 0.00 -0.11 0.00 0.00 41.96 38.90 1itp s TYR 37 CO 0.35 -0.76 1.61 0.27 -1.11 0.00 0.00 175.55 175.92 1itp n ASN 38 N 3.02 5.10 -4.43 2.29 0.23 -1.26 -2.64 115.26 117.57 1itp n ASN 38 Ca 0.10 -3.00 -0.26 0.00 -0.53 0.00 0.00 54.58 50.89 1itp n ASN 38 Cb 0.35 -1.57 -0.11 0.00 -2.08 0.00 0.00 39.78 36.37 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 1.65 1.55 -0.02 -3.83 -1.94 -0.42 -5.05 119.30 111.24 1itp s MET 39 Ca 0.44 -1.56 -0.22 0.00 -1.71 0.00 0.00 55.69 52.63 1itp s MET 39 Cb 0.02 -1.84 -0.22 0.00 2.01 0.00 0.00 34.83 34.80 1itp s MET 39 CO 0.01 0.39 1.09 -1.00 -0.01 0.00 0.00 175.02 175.50 1itp h PRO 40 N 3.04 0.27 -0.01 2.03 0.13 -2.03 -3.22 132.00 132.21 1itp h PRO 40 Ca -0.45 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.41 1itp h PRO 40 Cb 1.22 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1itp h PRO 40 CO 0.50 0.95 -0.04 0.41 -0.23 0.00 0.00 178.00 179.59 1itp n GLY 41 N 0.94 -0.35 3.15 1.56 0.00 -1.26 -4.75 105.19 104.48 1itp n GLY 41 Ca -0.09 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.11 0.25 -0.35 1.61 -2.45 -1.21 -5.11 119.30 109.92 1itp s MET 42 Ca 0.37 0.90 0.03 0.00 -1.25 0.00 0.00 55.69 55.74 1itp s MET 42 Cb 0.21 0.16 0.10 0.00 1.25 0.00 0.00 34.83 36.55 1itp s MET 42 CO 0.38 -0.26 0.09 0.15 1.05 0.00 0.00 175.02 176.42 1itp s LYS 43 N 2.47 1.34 0.02 4.11 3.01 -1.25 -1.30 119.74 128.14 1itp s LYS 43 Ca -0.01 -1.77 -0.00 0.00 -1.01 0.00 0.00 55.97 53.18 1itp s LYS 43 Cb -0.12 -2.91 0.00 0.00 -1.01 0.00 0.00 37.83 33.80 1itp s LYS 43 CO -0.11 -0.98 0.03 0.41 0.51 0.00 0.00 175.35 175.21 1itp n GLY 44 N 4.25 2.55 3.37 -3.33 0.00 -1.08 -0.36 105.19 110.58 1itp n GLY 44 Ca 0.03 -1.21 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 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 -6.77 -0.38 -0.06 1.61 -0.12 -0.97 -0.08 117.98 111.21 1itp s PHE 45 Ca 0.01 0.14 0.01 0.00 -0.05 0.00 0.00 56.93 57.04 1itp s PHE 45 Cb -0.00 0.41 0.02 0.00 -0.63 0.00 0.00 43.02 42.81 1itp s PHE 45 CO 0.01 -0.77 -0.08 0.00 -0.05 0.00 0.00 175.22 174.33 1itp s ALA 46 N -3.67 0.97 0.00 1.99 0.00 0.88 -2.84 121.76 119.10 1itp s ALA 46 Ca 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.72 1itp s ALA 46 Cb 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.58 1itp s ALA 46 CO -0.12 -0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.03 1itp n GLY 47 N 4.09 2.63 3.45 0.00 0.00 -1.00 -1.51 105.19 112.86 1itp n GLY 47 Ca -0.22 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 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 1.05 2.97 0.00 1.61 8.01 -0.70 -0.61 118.70 131.03 1itp s GLU 48 Ca 0.00 -1.04 0.00 0.00 0.01 0.00 0.00 54.97 53.94 1itp s GLU 48 Cb 0.00 -3.99 0.00 0.00 -4.31 0.00 0.00 34.13 25.83 1itp s GLU 48 CO 0.00 -0.77 0.00 1.28 0.01 0.00 0.00 175.26 175.78 1itp n LEU 49 N 5.16 0.00 0.00 1.80 4.32 -0.78 0.13 117.00 127.63 1itp n LEU 49 Ca -0.11 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.79 1itp n LEU 49 Cb 0.47 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.25 1itp n LEU 49 CO 0.41 -0.21 0.10 0.41 -1.22 0.00 0.00 177.39 176.88 1itp n THR 50 N -0.42 0.00 0.04 -5.08 -1.04 -1.26 -2.47 114.28 104.04 1itp n THR 50 Ca 0.00 -1.06 -0.16 0.00 -2.04 0.00 0.00 64.05 60.79 1itp n THR 50 Cb 0.00 0.65 -0.06 0.00 -1.82 0.00 0.00 70.33 69.10 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 0.59 0.38 -2.82 0.13 -1.99 -2.30 132.00 125.99 1itp h PRO 51 Ca -0.16 -0.57 -0.02 0.00 -0.87 0.00 0.00 66.00 64.38 1itp h PRO 51 Cb 0.71 0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1itp h PRO 51 CO 0.22 1.19 -0.18 0.37 -0.23 0.00 0.00 178.00 179.37 1itp h GLN 52 N 0.36 -0.49 -0.61 0.86 4.15 -2.01 -2.87 115.11 114.51 1itp h GLN 52 Ca -0.08 0.03 0.09 0.00 0.77 0.00 0.00 58.65 59.46 1itp h GLN 52 Cb 1.54 0.11 -0.04 0.00 0.21 0.00 0.00 27.48 29.30 1itp h GLN 52 CO 0.17 -0.20 0.40 0.77 -1.93 0.00 0.00 178.83 178.05 1itp h SER 53 N -0.78 0.42 0.00 -0.69 0.02 -1.97 -2.77 113.55 107.77 1itp h SER 53 Ca -0.05 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1itp h SER 53 Cb 0.52 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1itp h SER 53 CO 0.09 0.26 0.00 0.18 -1.14 0.00 0.00 176.83 176.21 1itp n LEU 54 N -4.47 0.00 -0.63 5.07 4.77 -0.87 -1.52 117.00 119.35 1itp n LEU 54 Ca 0.09 0.59 0.47 0.00 -0.03 0.00 0.00 56.01 57.13 1itp n LEU 54 Cb 0.33 -0.09 0.73 0.00 -2.33 0.00 0.00 43.42 42.06 1itp n LEU 54 CO 0.34 -0.09 1.31 0.41 -1.33 0.00 0.00 177.39 178.04 1itp n THR 55 N -0.95 -0.00 0.04 -5.08 -1.04 -1.10 0.19 114.28 106.34 1itp n THR 55 Ca 0.00 1.32 -0.04 0.00 -2.04 0.00 0.00 64.05 63.29 1itp n THR 55 Cb 0.00 -2.20 -0.02 0.00 -1.82 0.00 0.00 70.33 66.29 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 -0.18 -0.01 -2.82 3.11 -0.99 -2.59 116.57 113.09 1itp h LYS 56 Ca 0.83 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.69 1itp h LYS 56 Cb 3.34 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 34.61 1itp h LYS 56 CO -0.01 -0.12 -0.19 1.97 -2.81 0.00 0.00 179.45 178.28 1itp n PHE 57 N -3.06 0.00 0.00 1.91 1.16 0.93 -4.02 117.46 114.38 1itp n PHE 57 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.56 1itp n PHE 57 Cb 0.10 -0.06 0.00 0.00 -1.61 0.00 0.00 39.48 37.91 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 -0.15 0.00 0.32 3.97 1.13 0.51 -3.19 117.38 119.98 1itp n GLN 58 Ca 0.14 0.16 0.13 0.00 -1.94 0.00 0.00 57.00 55.49 1itp n GLN 58 Cb 0.39 -0.84 0.71 0.00 0.11 0.00 0.00 30.24 30.60 1itp n GLN 58 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1itp h GLY 59 N 0.00 0.00 -1.13 1.08 0.00 -1.68 1.67 103.07 103.00 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 -2.79 1.62 -4.34 3.11 7.94 -1.24 -4.92 117.00 116.39 1itp n LEU 60 Ca -0.02 -0.82 -0.31 0.00 -1.11 0.00 0.00 56.01 53.76 1itp n LEU 60 Cb 0.44 -0.25 0.21 0.00 0.53 0.00 0.00 43.42 44.35 1itp n LEU 60 CO 0.11 0.35 -0.17 0.00 -1.11 0.00 0.00 177.39 176.57 1itp n GLN 61 N 0.24 -2.05 -1.21 1.96 6.02 0.57 -2.66 117.38 120.25 1itp n GLN 61 Ca 0.09 -0.58 -0.07 0.00 -0.01 0.00 0.00 57.00 56.43 1itp n GLN 61 Cb 0.29 -1.86 -0.03 0.00 1.02 0.00 0.00 30.24 29.66 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 1.69 0.69 1.23 1.08 0.00 -1.00 -4.64 105.19 104.23 1itp n GLY 62 Ca 0.01 -0.01 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 -1.10 0.27 -0.07 1.61 -0.08 -1.09 -4.90 116.55 111.20 1itp n ASP 63 Ca -0.07 0.07 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1itp n ASP 63 Cb 0.56 -0.06 0.00 0.00 2.34 0.00 0.00 41.12 43.96 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 -3.09 0.15 -3.83 -2.67 -0.00 -1.24 -4.89 117.00 101.43 1itp n LEU 64 Ca 0.00 -0.29 -0.27 0.00 -0.00 0.00 0.00 56.01 55.45 1itp n LEU 64 Cb 0.26 -0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.51 1itp n LEU 64 CO 0.00 0.07 -0.40 -0.63 -0.00 0.00 0.00 177.39 176.43 1itp s ILE 65 N -0.09 0.84 -0.00 1.47 1.01 -1.26 -4.19 121.20 118.98 1itp s ILE 65 Ca 0.00 -0.48 -0.15 0.00 0.00 0.00 0.00 60.65 60.02 1itp s ILE 65 Cb 0.00 -1.09 -0.34 0.00 0.01 0.00 0.00 42.46 41.04 1itp s ILE 65 CO 0.00 0.07 0.89 -0.78 0.00 0.00 0.00 174.94 175.12 1itp h ASP 66 N 8.18 0.75 -4.75 3.58 3.58 -1.55 -2.65 116.42 123.56 1itp h ASP 66 Ca -0.21 -0.93 -0.09 0.00 0.42 0.00 0.00 57.03 56.22 1itp h ASP 66 Cb 1.12 -0.24 -0.20 0.00 1.72 0.00 0.00 39.33 41.72 1itp h ASP 66 CO 0.36 1.71 -0.07 -0.44 -2.88 0.00 0.00 179.24 177.91 1itp s SER 67 N -7.45 -0.44 -0.03 2.28 0.01 -1.25 -4.92 113.70 101.90 1itp s SER 67 Ca -0.12 0.53 0.05 0.00 1.31 0.00 0.00 55.95 57.73 1itp s SER 67 Cb 0.04 0.56 -0.01 0.00 0.21 0.00 0.00 66.02 66.82 1itp s SER 67 CO 0.91 -0.44 -0.19 -0.51 0.41 0.00 0.00 173.24 173.41 1itp s ILE 68 N -0.91 1.56 -0.46 1.44 1.10 -1.26 -0.36 121.20 122.30 1itp s ILE 68 Ca -0.10 -0.82 0.08 0.00 -0.51 0.00 0.00 60.65 59.31 1itp s ILE 68 Cb -0.03 -1.32 0.30 0.00 0.15 0.00 0.00 42.46 41.56 1itp s ILE 68 CO 0.05 0.44 0.71 1.21 -2.11 0.00 0.00 174.94 175.25 1itp n GLU 69 N 2.86 1.60 -2.10 3.50 2.13 0.42 -4.98 120.64 124.06 1itp n GLU 69 Ca -0.17 -3.84 -0.41 0.00 0.66 0.00 0.00 57.16 53.40 1itp n GLU 69 Cb 0.53 -1.75 -0.03 0.00 0.27 0.00 0.00 31.44 30.46 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 -2.26 4.32 -0.04 5.31 4.04 -1.26 -2.13 118.70 126.68 1itp s GLU 70 Ca 0.40 2.20 0.05 0.00 0.04 0.00 0.00 54.97 57.66 1itp s GLU 70 Cb 0.25 -3.14 0.08 0.00 0.02 0.00 0.00 34.13 31.34 1itp s GLU 70 CO -0.09 -0.33 0.94 -3.47 -1.84 0.00 0.00 175.26 170.47 1itp n ASP 71 N 2.32 0.94 -4.79 0.83 2.03 -1.21 -4.97 116.55 111.70 1itp n ASP 71 Ca 0.06 -2.11 -0.34 0.00 0.52 0.00 0.00 54.79 52.92 1itp n ASP 71 Cb 0.41 -0.20 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 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 -1.33 2.39 -0.04 0.27 0.00 -1.26 -4.47 107.32 102.89 1itp s GLY 72 Ca 0.09 0.61 0.06 0.00 0.00 0.00 0.00 44.72 45.48 1itp s GLY 72 CO 0.01 0.94 -0.22 -0.42 0.00 0.00 0.00 173.10 173.41 1itp s ILE 73 N -2.09 1.78 0.00 0.90 -1.09 -0.90 -4.92 121.20 114.87 1itp s ILE 73 Ca 0.68 -0.93 0.00 0.00 -2.23 0.00 0.00 60.65 58.17 1itp s ILE 73 Cb -0.19 -1.50 0.00 0.00 -1.58 0.00 0.00 42.46 39.19 1itp s ILE 73 CO 0.30 0.50 0.00 0.52 -1.23 0.00 0.00 174.94 175.03 1itp n VAL 74 N 2.87 0.00 -1.04 2.92 0.31 -1.26 -4.77 118.33 117.37 1itp n VAL 74 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1itp n VAL 74 Cb 0.52 -0.38 -0.00 0.00 -0.91 0.00 0.00 33.84 33.07 1itp n VAL 74 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1itp n THR 75 N -0.59 -1.87 -1.54 2.52 5.66 -1.26 -4.69 114.28 112.50 1itp n THR 75 Ca 0.00 0.95 -0.63 0.00 -3.05 0.00 0.00 64.05 61.32 1itp n THR 75 Cb 0.00 -1.58 -0.10 0.00 -1.55 0.00 0.00 70.33 67.10 1itp n THR 75 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1itp n THR 76 N -2.30 0.03 -1.05 1.09 -1.04 -1.26 -5.31 114.28 104.45 1itp n THR 76 Ca -0.00 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1itp n THR 76 Cb 0.33 -0.61 0.00 0.00 -1.82 0.00 0.00 70.33 68.23 1itp n THR 76 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10