#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 0.06 1.61 7.64 -1.26 -5.03 113.62 116.65 1itp n SER 2 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 1itp n SER 2 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 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 0.56 0.32 0.00 -0.43 0.00 -1.69 -3.48 119.26 114.55 1itp h ALA 3 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.00 1itp h ALA 3 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1itp h ALA 3 CO 0.00 1.22 0.00 0.41 0.00 0.00 0.00 179.25 180.88 1itp n GLY 4 N 1.37 -0.64 3.90 0.00 0.00 -1.22 0.94 105.19 109.54 1itp n GLY 4 Ca -0.01 -0.94 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.23 3.52 0.10 1.61 1.02 -1.26 -1.48 119.74 122.03 1itp s LYS 5 Ca 0.00 -0.25 0.00 0.00 0.02 0.00 0.00 55.97 55.74 1itp s LYS 5 Cb 0.00 -3.00 -0.04 0.00 -0.52 0.00 0.00 37.83 34.27 1itp s LYS 5 CO 0.00 0.58 -0.02 -0.06 -0.92 0.00 0.00 175.35 174.93 1itp s PHE 6 N -1.49 0.83 -0.29 3.18 0.40 0.10 -2.24 117.98 118.46 1itp s PHE 6 Ca 0.34 -1.04 -0.04 0.00 -0.60 0.00 0.00 56.93 55.59 1itp s PHE 6 Cb -0.13 -0.50 0.10 0.00 0.51 0.00 0.00 43.02 43.00 1itp s PHE 6 CO 0.24 -0.30 0.13 0.42 0.70 0.00 0.00 175.22 176.41 1itp s ILE 7 N -3.80 -0.06 0.33 0.64 1.01 -0.93 -2.43 121.20 115.95 1itp s ILE 7 Ca 0.15 -0.80 0.07 0.00 0.00 0.00 0.00 60.65 60.07 1itp s ILE 7 Cb 0.07 -0.99 -0.02 0.00 0.01 0.00 0.00 42.46 41.53 1itp s ILE 7 CO -0.04 -0.74 0.41 0.68 0.00 0.00 0.00 174.94 175.25 1itp s VAL 8 N 2.06 4.00 0.20 2.92 -7.23 -1.12 -0.46 120.40 120.77 1itp s VAL 8 Ca 0.09 -1.11 -0.00 0.00 -1.81 0.00 0.00 61.98 59.15 1itp s VAL 8 Cb -0.16 -3.37 -0.04 0.00 0.56 0.00 0.00 36.38 33.36 1itp s VAL 8 CO -0.36 -0.17 0.10 -0.63 -0.31 0.00 0.00 175.10 173.73 1itp s ILE 9 N -2.20 0.22 0.02 -0.62 1.09 0.56 -2.46 121.20 117.81 1itp s ILE 9 Ca 0.43 -1.98 0.03 0.00 -1.10 0.00 0.00 60.65 58.02 1itp s ILE 9 Cb -0.08 -2.42 -0.01 0.00 -1.06 0.00 0.00 42.46 38.88 1itp s ILE 9 CO 0.30 -0.12 -0.09 -0.36 -0.10 0.00 0.00 174.94 174.57 1itp s PHE 10 N -3.99 0.76 1.24 3.97 0.08 0.69 -2.83 117.98 117.89 1itp s PHE 10 Ca 0.35 -0.26 -0.18 0.00 0.12 0.00 0.00 56.93 56.95 1itp s PHE 10 Cb 0.07 -0.47 0.28 0.00 -0.57 0.00 0.00 43.02 42.33 1itp s PHE 10 CO 0.10 -0.02 0.62 0.36 -0.10 0.00 0.00 175.22 176.19 1itp n LYS 11 N 2.34 -3.54 -0.98 0.44 2.85 -1.26 -4.37 118.16 113.65 1itp n LYS 11 Ca -0.16 -1.05 -0.21 0.00 -1.05 0.00 0.00 58.31 55.84 1itp n LYS 11 Cb 0.56 -1.71 0.08 0.00 -0.65 0.00 0.00 35.03 33.31 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 -3.56 5.63 0.00 -5.58 2.85 -1.26 -3.89 115.26 109.44 1itp n ASN 12 Ca 0.09 -3.25 0.00 0.00 -0.11 0.00 0.00 54.58 51.32 1itp n ASN 12 Cb 0.47 -0.91 0.00 0.00 1.24 0.00 0.00 39.78 40.58 1itp n ASN 12 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1itp n ASP 13 N -0.33 1.90 -3.99 1.20 -0.08 -1.26 -5.07 116.55 108.92 1itp n ASP 13 Ca 0.42 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 53.32 1itp n ASP 13 Cb 0.88 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.34 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 -2.47 0.23 -2.55 5.18 3.14 -1.25 -4.95 118.33 115.66 1itp n VAL 14 Ca 0.00 -0.47 -0.24 0.00 -2.96 0.00 0.00 64.34 60.67 1itp n VAL 14 Cb 0.37 0.00 0.12 0.00 -1.06 0.00 0.00 33.84 33.28 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 -0.93 4.12 -0.02 6.55 1.04 -1.26 -4.98 113.70 118.21 1itp s SER 15 Ca 0.54 -0.40 -0.21 0.00 0.48 0.00 0.00 55.95 56.36 1itp s SER 15 Cb -0.52 0.13 -0.26 0.00 0.10 0.00 0.00 66.02 65.47 1itp s SER 15 CO 0.60 -2.03 1.02 -0.08 0.98 0.00 0.00 173.24 173.73 1itp h GLU 16 N -0.68 0.34 -0.70 4.02 4.81 -2.00 -2.68 114.58 117.69 1itp h GLU 16 Ca -0.36 -0.43 -0.03 0.00 -0.13 0.00 0.00 59.36 58.41 1itp h GLU 16 Cb 1.26 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.74 1itp h GLU 16 CO 0.38 1.13 0.32 -0.44 -0.73 0.00 0.00 179.01 179.67 1itp h ASP 17 N -0.25 0.91 -0.36 1.04 3.32 -1.99 -1.90 116.42 117.19 1itp h ASP 17 Ca -0.09 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 1itp h ASP 17 Cb 1.39 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.69 1itp h ASP 17 CO 0.12 0.78 0.19 0.11 -1.72 0.00 0.00 179.24 178.73 1itp h LYS 18 N 0.99 0.51 0.36 3.56 6.56 -1.96 0.18 116.57 126.78 1itp h LYS 18 Ca 0.24 -0.06 -0.00 0.00 -1.06 0.00 0.00 60.65 59.76 1itp h LYS 18 Cb 0.13 -0.10 -0.03 0.00 -0.57 0.00 0.00 32.23 31.66 1itp h LYS 18 CO -0.03 0.43 -0.48 0.82 -2.06 0.00 0.00 179.45 178.14 1itp h ILE 19 N 0.46 0.06 -0.43 1.86 2.04 -1.05 0.36 117.51 120.80 1itp h ILE 19 Ca 0.13 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.08 1itp h ILE 19 Cb 0.08 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.20 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 -0.88 0.19 0.32 2.37 3.08 -1.23 -2.40 114.38 115.83 1itp h ARG 20 Ca -0.03 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1itp h ARG 20 Cb 0.80 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.81 1itp h ARG 20 CO -0.13 0.12 -0.15 0.93 -1.07 0.00 0.00 179.97 179.67 1itp h GLU 21 N 0.19 -0.41 -1.38 0.04 5.08 0.93 -1.04 114.58 118.00 1itp h GLU 21 Ca 0.20 0.03 0.46 0.00 -1.00 0.00 0.00 59.36 59.04 1itp h GLU 21 Cb 0.54 0.09 -0.13 0.00 0.50 0.00 0.00 28.75 29.76 1itp h GLU 21 CO -0.03 -0.27 0.90 1.15 -1.00 0.00 0.00 179.01 179.75 1itp h THR 22 N -0.55 0.08 0.38 1.13 2.02 -0.10 1.50 112.91 117.37 1itp h THR 22 Ca -0.04 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 1itp h THR 22 Cb 0.33 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 1itp h THR 22 CO 0.07 0.01 -0.18 0.11 0.37 0.00 0.00 175.52 175.90 1itp h LYS 23 N 0.06 -0.49 -0.94 6.66 6.56 -1.32 -2.27 116.57 124.83 1itp h LYS 23 Ca 0.84 0.03 0.02 0.00 -1.06 0.00 0.00 60.65 60.49 1itp h LYS 23 Cb 2.72 0.11 -0.05 0.00 -0.57 0.00 0.00 32.23 34.44 1itp h LYS 23 CO -0.41 -0.17 0.62 -0.44 -2.06 0.00 0.00 179.45 177.00 1itp h ASP 24 N -0.93 1.06 -0.54 0.86 3.32 0.16 0.20 116.42 120.56 1itp h ASP 24 Ca -0.05 -0.02 0.10 0.00 0.02 0.00 0.00 57.03 57.07 1itp h ASP 24 Cb 0.54 -0.26 -0.08 0.00 0.22 0.00 0.00 39.33 39.75 1itp h ASP 24 CO 0.08 0.76 0.11 -0.33 -1.72 0.00 0.00 179.24 178.14 1itp h GLU 25 N 1.25 0.24 0.03 3.56 5.08 0.18 0.17 114.58 125.09 1itp h GLU 25 Ca 0.36 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1itp h GLU 25 Cb -0.09 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1itp h GLU 25 CO -0.09 0.16 -0.02 -0.24 -1.00 0.00 0.00 179.01 177.82 1itp h VAL 26 N 0.24 1.36 -0.96 3.13 3.04 -0.74 0.16 116.25 122.48 1itp h VAL 26 Ca 0.27 -1.32 0.30 0.00 -1.01 0.00 0.00 66.70 64.95 1itp h VAL 26 Cb 0.38 2.23 -0.15 0.00 -2.01 0.00 0.00 31.29 31.74 1itp h VAL 26 CO -0.36 0.33 0.41 0.40 -1.01 0.00 0.00 177.57 177.34 1itp h ILE 27 N -0.63 0.24 0.06 3.17 1.08 -0.11 1.59 117.51 122.92 1itp h ILE 27 Ca -0.00 -0.07 -0.24 0.00 -0.39 0.00 0.00 64.86 64.15 1itp h ILE 27 Cb 0.57 0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 34.31 1itp h ILE 27 CO 0.01 0.04 -1.15 0.00 -0.69 0.00 0.00 178.15 176.35 1itp h ALA 28 N 1.86 0.25 -0.54 1.87 0.00 -0.62 -3.38 119.26 118.71 1itp h ALA 28 Ca 0.68 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1itp h ALA 28 Cb 1.52 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1itp h ALA 28 CO -0.67 1.14 0.00 -1.91 0.00 0.00 0.00 179.25 177.81 1itp n GLU 29 N -3.42 0.00 0.00 0.00 4.07 0.47 -5.01 120.64 116.75 1itp n GLU 29 Ca -0.05 0.41 0.00 0.00 -0.06 0.00 0.00 57.16 57.46 1itp n GLU 29 Cb 0.98 -1.26 0.00 0.00 -0.06 0.00 0.00 31.44 31.11 1itp n GLU 29 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1itp n GLY 30 N 0.01 -1.87 3.09 8.31 0.00 0.30 -5.05 105.19 109.97 1itp n GLY 30 Ca 0.00 0.49 -0.37 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.92 2.05 -0.02 0.00 -1.24 -4.74 105.19 96.87 1itp n GLY 31 Ca 0.00 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.74 0.00 -4.17 2.61 -1.04 0.17 -3.34 114.28 104.78 1itp n THR 32 Ca -0.01 -1.47 -0.19 0.00 -2.04 0.00 0.00 64.05 60.34 1itp n THR 32 Cb 0.70 0.56 -0.16 0.00 -1.82 0.00 0.00 70.33 69.61 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 -2.55 0.52 -0.06 12.58 -1.09 -1.26 -1.98 121.20 127.37 1itp s ILE 33 Ca 0.15 -0.13 0.06 0.00 -2.23 0.00 0.00 60.65 58.49 1itp s ILE 33 Cb 0.01 -0.53 -0.08 0.00 -1.58 0.00 0.00 42.46 40.28 1itp s ILE 33 CO 0.10 0.21 0.03 0.35 -1.23 0.00 0.00 174.94 174.41 1itp n THR 34 N 3.89 0.38 -3.60 2.92 -2.24 -1.04 -4.93 114.28 109.65 1itp n THR 34 Ca -0.24 -0.25 -0.11 0.00 -2.27 0.00 0.00 64.05 61.18 1itp n THR 34 Cb 0.52 -0.73 -0.04 0.00 -2.10 0.00 0.00 70.33 67.98 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 -3.66 -0.29 0.29 3.42 2.47 -0.73 -5.02 114.94 111.41 1itp s ASN 35 Ca -0.03 -0.28 0.02 0.00 0.42 0.00 0.00 52.86 53.00 1itp s ASN 35 Cb 0.02 0.50 -0.05 0.00 -1.45 0.00 0.00 41.25 40.27 1itp s ASN 35 CO 0.25 -0.89 0.09 -1.83 -3.72 0.00 0.00 177.10 171.00 1itp s GLU 36 N -3.80 1.51 -0.28 0.43 1.03 -1.26 -0.44 118.70 115.90 1itp s GLU 36 Ca 0.03 -1.83 0.01 0.00 0.03 0.00 0.00 54.97 53.21 1itp s GLU 36 Cb 0.01 -0.47 0.08 0.00 -0.80 0.00 0.00 34.13 32.95 1itp s GLU 36 CO -0.11 -0.27 0.02 0.71 -1.33 0.00 0.00 175.26 174.28 1itp s TYR 37 N -3.58 2.37 -0.66 4.83 2.02 0.10 -4.82 117.35 117.62 1itp s TYR 37 Ca 0.37 -1.94 0.04 0.00 -0.37 0.00 0.00 57.07 55.16 1itp s TYR 37 Cb 0.08 -1.86 0.35 0.00 -0.40 0.00 0.00 41.96 40.13 1itp s TYR 37 CO 0.14 -0.83 1.19 0.09 -1.57 0.00 0.00 175.55 174.57 1itp n ASN 38 N 4.67 5.21 -4.92 2.29 3.02 -1.26 -2.46 115.26 121.80 1itp n ASN 38 Ca -0.05 -3.70 -0.27 0.00 -0.03 0.00 0.00 54.58 50.52 1itp n ASN 38 Cb 0.43 -0.68 -0.03 0.00 -0.61 0.00 0.00 39.78 38.89 1itp n ASN 38 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1itp s MET 39 N -3.68 3.57 -1.20 3.52 -1.94 -0.89 -4.99 119.30 113.70 1itp s MET 39 Ca 0.47 -0.15 -0.20 0.00 -1.71 0.00 0.00 55.69 54.10 1itp s MET 39 Cb 0.29 -2.70 -0.03 0.00 2.01 0.00 0.00 34.83 34.40 1itp s MET 39 CO -0.16 0.26 1.92 -0.35 -0.01 0.00 0.00 175.02 176.67 1itp n PRO 40 N -1.00 2.33 0.00 2.03 -0.04 -1.26 -2.02 135.00 135.03 1itp n PRO 40 Ca -0.03 -2.65 0.00 0.00 -0.04 0.00 0.00 63.50 60.78 1itp n PRO 40 Cb 0.54 -3.44 0.00 0.00 -0.04 0.00 0.00 33.50 30.57 1itp n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1itp n GLY 41 N 5.15 0.66 2.84 0.55 0.00 -1.26 -5.11 105.19 108.03 1itp n GLY 41 Ca 0.48 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 1.16 -0.51 1.61 0.00 -0.86 -5.02 119.30 115.68 1itp s MET 42 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 55.69 55.19 1itp s MET 42 Cb 0.00 -2.02 0.13 0.00 0.00 0.00 0.00 34.83 32.94 1itp s MET 42 CO 0.00 -0.50 0.28 0.15 0.00 0.00 0.00 175.02 174.95 1itp s LYS 43 N 1.69 2.12 0.01 4.11 1.02 -1.26 -2.10 119.74 125.33 1itp s LYS 43 Ca -0.00 -2.31 -0.00 0.00 0.02 0.00 0.00 55.97 53.68 1itp s LYS 43 Cb -0.16 -3.51 0.00 0.00 -0.52 0.00 0.00 37.83 33.64 1itp s LYS 43 CO -0.07 -1.10 0.01 0.41 -0.92 0.00 0.00 175.35 173.68 1itp n GLY 44 N 3.74 2.88 3.45 -3.33 0.00 -1.03 -0.22 105.19 110.67 1itp n GLY 44 Ca 0.04 -1.30 -0.11 0.00 0.00 0.00 0.00 46.02 44.65 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 -5.83 -0.39 0.09 1.61 -0.12 -1.03 0.02 117.98 112.34 1itp s PHE 45 Ca 0.00 0.12 0.05 0.00 -0.05 0.00 0.00 56.93 57.06 1itp s PHE 45 Cb -0.00 0.49 -0.03 0.00 -0.63 0.00 0.00 43.02 42.85 1itp s PHE 45 CO 0.00 -0.86 -0.14 0.00 -0.05 0.00 0.00 175.22 174.17 1itp s ALA 46 N -3.79 1.30 0.00 1.99 0.00 0.42 -2.81 121.76 118.87 1itp s ALA 46 Ca 0.03 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.87 1itp s ALA 46 Cb -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.02 1itp s ALA 46 CO -0.10 0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.21 1itp n GLY 47 N 0.98 -0.67 3.66 0.00 0.00 -1.02 -1.77 105.19 106.37 1itp n GLY 47 Ca -0.19 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.11 3.08 0.00 1.61 8.01 -0.84 -0.72 118.70 128.73 1itp s GLU 48 Ca 0.00 -0.42 0.00 0.00 0.01 0.00 0.00 54.97 54.56 1itp s GLU 48 Cb 0.00 -2.82 0.00 0.00 -4.31 0.00 0.00 34.13 27.00 1itp s GLU 48 CO 0.00 0.64 0.00 1.28 0.01 0.00 0.00 175.26 177.19 1itp n LEU 49 N 2.32 0.00 0.00 1.80 4.77 -0.55 0.46 117.00 125.80 1itp n LEU 49 Ca -0.18 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.72 1itp n LEU 49 Cb 0.53 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.61 1itp n LEU 49 CO 0.29 0.00 0.10 0.41 -1.33 0.00 0.00 177.39 176.86 1itp n THR 50 N 0.00 0.00 0.04 -5.08 -1.04 -1.26 -2.21 114.28 104.72 1itp n THR 50 Ca 0.00 -0.89 -0.16 0.00 -2.04 0.00 0.00 64.05 60.96 1itp n THR 50 Cb 0.00 0.56 -0.06 0.00 -1.82 0.00 0.00 70.33 69.01 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 0.19 -2.82 0.13 -1.99 -2.68 132.00 125.42 1itp h PRO 51 Ca -0.14 -0.57 -0.01 0.00 -0.87 0.00 0.00 66.00 64.41 1itp h PRO 51 Cb 0.61 0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1itp h PRO 51 CO 0.19 1.19 -0.09 0.37 -0.23 0.00 0.00 178.00 179.43 1itp h GLN 52 N 0.36 -0.25 -0.87 0.86 4.15 -2.01 -2.75 115.11 114.60 1itp h GLN 52 Ca -0.08 0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.46 1itp h GLN 52 Cb 1.53 0.06 -0.06 0.00 0.21 0.00 0.00 27.48 29.22 1itp h GLN 52 CO 0.17 -0.01 0.56 0.77 -1.93 0.00 0.00 178.83 178.39 1itp h SER 53 N -0.46 0.75 0.00 -0.69 0.02 -1.97 -2.77 113.55 108.42 1itp h SER 53 Ca -0.03 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1itp h SER 53 Cb 0.35 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1itp h SER 53 CO 0.04 0.43 0.00 0.18 -1.14 0.00 0.00 176.83 176.35 1itp n LEU 54 N -4.53 0.00 -0.62 5.07 4.77 -1.01 -1.16 117.00 119.52 1itp n LEU 54 Ca 0.15 0.76 0.47 0.00 -0.03 0.00 0.00 56.01 57.36 1itp n LEU 54 Cb 0.34 -0.26 0.72 0.00 -2.33 0.00 0.00 43.42 41.89 1itp n LEU 54 CO 0.31 -0.26 1.31 0.41 -1.33 0.00 0.00 177.39 177.83 1itp n THR 55 N -1.57 -0.01 0.00 -5.08 -1.04 -1.08 0.23 114.28 105.73 1itp n THR 55 Ca 0.00 1.33 0.00 0.00 -2.04 0.00 0.00 64.05 63.34 1itp n THR 55 Cb 0.00 -2.22 0.00 0.00 -1.82 0.00 0.00 70.33 66.29 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 -3.73 0.00 -0.17 -2.82 0.00 -0.31 -1.18 118.16 109.95 1itp n LYS 56 Ca 0.39 0.57 0.09 0.00 0.00 0.00 0.00 58.31 59.37 1itp n LYS 56 Cb 1.78 -1.44 0.27 0.00 0.00 0.00 0.00 35.03 35.63 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 -2.07 0.45 -0.03 5.64 1.16 0.57 -3.76 117.46 119.42 1itp n PHE 57 Ca 0.00 -0.23 -0.22 0.00 -1.87 0.00 0.00 57.45 55.14 1itp n PHE 57 Cb 0.00 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 37.74 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 0.79 0.69 0.05 3.97 1.13 0.62 -2.18 117.38 122.45 1itp n GLN 58 Ca 0.16 0.37 -0.10 0.00 -1.94 0.00 0.00 57.00 55.50 1itp n GLN 58 Cb 0.41 -1.72 0.03 0.00 0.11 0.00 0.00 30.24 29.07 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 0.33 0.44 1.33 1.08 0.00 -1.28 -2.95 103.07 102.03 1itp h GLY 59 Ca -0.40 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.31 1itp h GLY 59 CO -0.02 0.55 -0.46 -0.10 0.00 0.00 0.00 176.54 176.51 1itp n LEU 60 N -3.84 0.63 -4.06 3.11 7.94 -1.25 -4.94 117.00 114.60 1itp n LEU 60 Ca -0.04 0.27 -0.38 0.00 -1.11 0.00 0.00 56.01 54.74 1itp n LEU 60 Cb 0.70 -0.24 0.00 0.00 0.53 0.00 0.00 43.42 44.41 1itp n LEU 60 CO 0.48 -0.04 -0.51 1.67 -1.11 0.00 0.00 177.39 177.88 1itp n GLN 61 N -1.99 0.00 0.00 1.96 7.27 -0.93 -2.86 117.38 120.83 1itp n GLN 61 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.11 1itp n GLN 61 Cb 0.41 -0.95 0.00 0.00 2.41 0.00 0.00 30.24 32.11 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 1.52 0.04 1.69 0.00 -0.74 -4.83 105.19 105.16 1itp n GLY 62 Ca 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 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 3.26 0.00 1.61 2.03 -1.13 -4.72 116.55 117.59 1itp n ASP 63 Ca 0.00 -0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1itp n ASP 63 Cb 0.00 0.48 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 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 -2.38 0.30 -3.71 -2.67 -0.00 -1.26 -4.86 117.00 102.41 1itp n LEU 64 Ca -0.13 -0.30 -0.27 0.00 -0.00 0.00 0.00 56.01 55.31 1itp n LEU 64 Cb 0.72 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.97 1itp n LEU 64 CO 0.14 0.08 -0.36 -0.63 -0.00 0.00 0.00 177.39 176.61 1itp s ILE 65 N -0.14 0.42 0.09 1.47 -1.09 -1.26 -4.28 121.20 116.41 1itp s ILE 65 Ca 0.00 -0.50 0.02 0.00 -2.23 0.00 0.00 60.65 57.94 1itp s ILE 65 Cb 0.00 -0.96 -0.25 0.00 -1.58 0.00 0.00 42.46 39.67 1itp s ILE 65 CO 0.00 -0.22 1.19 -0.78 -1.23 0.00 0.00 174.94 173.89 1itp h ASP 66 N 8.27 0.20 -5.00 3.58 3.58 -1.76 -1.97 116.42 123.31 1itp h ASP 66 Ca -0.16 -0.22 -0.06 0.00 0.42 0.00 0.00 57.03 57.02 1itp h ASP 66 Cb 1.12 -0.07 -0.17 0.00 1.72 0.00 0.00 39.33 41.94 1itp h ASP 66 CO 0.33 1.17 0.13 -0.44 -2.88 0.00 0.00 179.24 177.55 1itp s SER 67 N -6.90 -0.56 -0.00 2.28 0.01 -1.26 -4.97 113.70 102.30 1itp s SER 67 Ca -0.02 0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.65 1itp s SER 67 Cb 0.09 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.84 1itp s SER 67 CO 0.85 -0.70 -0.00 -0.51 0.41 0.00 0.00 173.24 173.29 1itp s ILE 68 N -2.02 0.03 -0.48 1.44 2.07 -1.26 -0.32 121.20 120.66 1itp s ILE 68 Ca -0.07 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 59.23 1itp s ILE 68 Cb -0.01 -0.04 0.21 0.00 0.13 0.00 0.00 42.46 42.75 1itp s ILE 68 CO 0.02 0.02 0.48 1.21 -1.91 0.00 0.00 174.94 174.76 1itp n GLU 69 N 3.17 0.91 -2.19 3.50 2.13 0.39 -4.99 120.64 123.56 1itp n GLU 69 Ca -0.14 -3.58 -0.41 0.00 0.66 0.00 0.00 57.16 53.69 1itp n GLU 69 Cb 0.59 -1.69 -0.03 0.00 0.27 0.00 0.00 31.44 30.58 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 -0.91 4.37 -0.05 5.31 1.03 -1.26 -2.19 118.70 125.01 1itp s GLU 70 Ca 0.33 2.08 0.19 0.00 0.03 0.00 0.00 54.97 57.61 1itp s GLU 70 Cb 0.08 -3.19 0.37 0.00 -0.80 0.00 0.00 34.13 30.60 1itp s GLU 70 CO -0.14 -0.28 1.16 -3.47 -1.33 0.00 0.00 175.26 171.20 1itp n ASP 71 N 2.66 1.08 -4.76 0.83 2.03 -0.95 -4.98 116.55 112.47 1itp n ASP 71 Ca 0.06 -2.45 -0.36 0.00 0.52 0.00 0.00 54.79 52.57 1itp n ASP 71 Cb 0.42 -0.34 0.03 0.00 -0.72 0.00 0.00 41.12 40.51 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 -2.17 2.73 0.12 0.27 0.00 -1.21 -3.98 107.32 103.07 1itp s GLY 72 Ca 0.31 0.99 0.11 0.00 0.00 0.00 0.00 44.72 46.13 1itp s GLY 72 CO -0.12 1.38 -0.27 -1.50 0.00 0.00 0.00 173.10 172.60 1itp s ILE 73 N -1.61 2.25 -0.07 0.90 1.10 0.27 -4.85 121.20 119.19 1itp s ILE 73 Ca 0.76 -1.69 -0.06 0.00 -0.51 0.00 0.00 60.65 59.16 1itp s ILE 73 Cb -0.30 -1.97 -0.02 0.00 0.15 0.00 0.00 42.46 40.32 1itp s ILE 73 CO 0.32 0.14 -0.11 0.52 -2.11 0.00 0.00 174.94 173.70 1itp n VAL 74 N 1.06 0.61 -3.17 4.00 0.31 -1.26 -4.44 118.33 115.44 1itp n VAL 74 Ca -0.18 0.37 -0.14 0.00 -0.01 0.00 0.00 64.34 64.38 1itp n VAL 74 Cb 0.53 -1.87 0.01 0.00 -0.91 0.00 0.00 33.84 31.61 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 -3.28 -2.55 -2.67 2.52 5.66 -1.26 -4.79 114.28 107.91 1itp n THR 75 Ca -0.04 0.32 -0.43 0.00 -3.05 0.00 0.00 64.05 60.84 1itp n THR 75 Cb 0.16 -3.01 0.01 0.00 -1.55 0.00 0.00 70.33 65.93 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 0.71 4.65 -1.23 1.09 -1.04 -1.26 -5.22 114.28 111.98 1itp n THR 76 Ca -0.03 -4.96 0.00 0.00 -2.04 0.00 0.00 64.05 57.02 1itp n THR 76 Cb 0.54 -2.30 0.00 0.00 -1.82 0.00 0.00 70.33 66.75 1itp n THR 76 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43