#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1unk s GLU 2 N 0.00 0.39 -0.24 2.12 2.12 -1.26 -5.12 118.70 116.71 1unk s GLU 2 Ca 0.00 -0.08 -0.20 0.00 0.36 0.00 0.00 54.97 55.05 1unk s GLU 2 Cb 0.00 0.17 -0.02 0.00 0.26 0.00 0.00 34.13 34.54 1unk s GLU 2 CO 0.00 -0.08 0.61 -0.51 -0.54 0.00 0.00 175.26 174.74 1unk s LEU 3 N -0.71 4.09 -0.38 2.70 1.02 -1.26 -5.03 118.68 119.11 1unk s LEU 3 Ca -0.08 0.71 -0.21 0.00 0.02 0.00 0.00 54.13 54.58 1unk s LEU 3 Cb -0.05 -2.83 0.01 0.00 0.02 0.00 0.00 46.19 43.34 1unk s LEU 3 CO 0.01 -0.32 0.65 -0.54 0.02 0.00 0.00 176.35 176.16 1unk s LYS 4 N 2.28 3.59 0.03 1.70 -0.14 -1.26 -4.96 119.74 120.98 1unk s LYS 4 Ca 0.26 -0.03 -0.17 0.00 -1.36 0.00 0.00 55.97 54.67 1unk s LYS 4 Cb -0.16 -3.84 -0.29 0.00 -1.68 0.00 0.00 37.83 31.86 1unk s LYS 4 CO 0.09 -0.81 1.06 -0.97 -0.76 0.00 0.00 175.35 173.97 1unk h ASN 5 N 8.57 0.79 -3.86 2.83 -1.24 -1.96 -3.49 115.58 117.22 1unk h ASN 5 Ca -0.26 -0.84 -0.29 0.00 0.71 0.00 0.00 56.30 55.62 1unk h ASN 5 Cb 1.11 -0.25 -0.07 0.00 0.73 0.00 0.00 38.32 39.83 1unk h ASN 5 CO 0.85 1.55 -0.21 -1.54 -1.29 0.00 0.00 177.43 176.80 1unk n SER 6 N -3.88 -0.96 0.16 1.15 3.41 -1.26 -4.93 113.62 107.30 1unk n SER 6 Ca -0.14 -2.67 0.10 0.00 -0.26 0.00 0.00 58.87 55.91 1unk n SER 6 Cb 0.94 1.89 0.62 0.00 -0.26 0.00 0.00 64.21 67.41 1unk n SER 6 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1unk h ILE 7 N 1.86 0.95 0.00 -1.33 2.10 -1.91 -1.83 117.51 117.35 1unk h ILE 7 Ca -0.22 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 65.70 1unk h ILE 7 Cb 1.00 0.86 0.00 0.00 -1.09 0.00 0.00 36.82 37.59 1unk h ILE 7 CO 0.30 0.01 0.00 -1.54 -1.08 0.00 0.00 178.15 175.85 1unk n SER 8 N -4.50 0.00 -0.20 2.19 3.41 -1.25 -1.16 113.62 112.11 1unk n SER 8 Ca 0.01 0.12 0.13 0.00 -0.26 0.00 0.00 58.87 58.87 1unk n SER 8 Cb 0.21 -0.33 0.38 0.00 -0.26 0.00 0.00 64.21 64.21 1unk n SER 8 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1unk n ASP 9 N -1.33 0.90 -4.49 4.04 8.00 -0.69 -4.01 116.55 118.97 1unk n ASP 9 Ca 0.08 -0.76 -0.33 0.00 0.71 0.00 0.00 54.79 54.49 1unk n ASP 9 Cb 0.16 0.13 -0.13 0.00 -0.02 0.00 0.00 41.12 41.26 1unk n ASP 9 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1unk s TYR 10 N -2.57 2.75 0.51 1.24 1.51 -0.31 -4.93 117.35 115.54 1unk s TYR 10 Ca 0.23 -0.15 -0.02 0.00 -1.01 0.00 0.00 57.07 56.12 1unk s TYR 10 Cb 0.19 -1.65 0.00 0.00 -0.11 0.00 0.00 41.96 40.39 1unk s TYR 10 CO 0.54 0.19 0.76 0.95 -1.11 0.00 0.00 175.55 176.88 1unk s THR 11 N -0.69 3.81 0.24 -0.71 -4.23 -1.26 0.16 115.64 112.96 1unk s THR 11 Ca 0.10 -0.32 -0.06 0.00 -1.18 0.00 0.00 61.69 60.24 1unk s THR 11 Cb -0.11 -3.45 0.19 0.00 1.34 0.00 0.00 72.50 70.47 1unk s THR 11 CO 0.01 -0.37 1.83 -0.08 -0.54 0.00 0.00 174.62 175.47 1unk h GLU 12 N 0.17 1.17 -0.73 3.99 4.81 -1.79 -2.61 114.58 119.58 1unk h GLU 12 Ca -0.46 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 58.58 1unk h GLU 12 Cb 1.26 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 30.39 1unk h GLU 12 CO 0.58 0.90 0.36 0.00 -0.73 0.00 0.00 179.01 180.13 1unk h ALA 13 N 1.26 0.94 -0.67 2.92 0.00 -1.95 -1.12 119.26 120.64 1unk h ALA 13 Ca 0.28 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1unk h ALA 13 Cb 0.13 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1unk h ALA 13 CO -0.03 0.49 0.25 0.93 0.00 0.00 0.00 179.25 180.88 1unk h GLU 14 N 1.02 0.99 -0.22 0.00 5.08 -1.91 -1.74 114.58 117.79 1unk h GLU 14 Ca 0.25 -0.18 -0.16 0.00 -1.00 0.00 0.00 59.36 58.28 1unk h GLU 14 Cb 0.10 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1unk h GLU 14 CO -0.03 0.83 -0.51 0.35 -1.00 0.00 0.00 179.01 178.64 1unk h PHE 15 N 0.97 0.76 -0.55 4.33 3.57 -1.07 -1.70 116.94 123.26 1unk h PHE 15 Ca 0.22 -0.26 -0.07 0.00 3.53 0.00 0.00 57.97 61.40 1unk h PHE 15 Cb 0.22 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 1unk h PHE 15 CO 0.02 1.00 0.07 0.28 -2.23 0.00 0.00 178.31 177.44 1unk h VAL 16 N 0.48 1.24 -0.64 1.41 2.07 -1.04 -0.97 116.25 118.80 1unk h VAL 16 Ca 0.02 -0.95 -0.06 0.00 0.82 0.00 0.00 66.70 66.53 1unk h VAL 16 Cb 1.05 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1unk h VAL 16 CO 0.10 0.35 0.16 1.56 0.02 0.00 0.00 177.57 179.76 1unk h GLN 17 N 0.83 1.02 -0.30 1.57 1.08 -0.99 -1.35 115.11 116.97 1unk h GLN 17 Ca 0.17 -0.24 0.03 0.00 -1.45 0.00 0.00 58.65 57.16 1unk h GLN 17 Cb 0.39 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.65 1unk h GLN 17 CO 0.01 0.92 0.11 1.25 -0.95 0.00 0.00 178.83 180.16 1unk h LEU 18 N 0.94 0.12 -1.36 1.46 5.85 -0.85 -1.31 115.31 120.17 1unk h LEU 18 Ca 0.20 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.97 1unk h LEU 18 Cb 0.35 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1unk h LEU 18 CO 0.00 0.10 0.44 -0.07 -0.34 0.00 0.00 178.44 178.57 1unk h LEU 19 N 0.24 0.75 -0.88 2.25 -0.00 -0.79 -1.12 115.31 115.75 1unk h LEU 19 Ca 0.13 -0.02 -0.07 0.00 -0.00 0.00 0.00 57.88 57.92 1unk h LEU 19 Cb 0.10 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 40.56 1unk h LEU 19 CO -0.14 0.53 0.02 0.11 -0.00 0.00 0.00 178.44 178.97 1unk h LYS 20 N 0.88 0.85 -0.22 1.13 1.57 -0.65 -1.92 116.57 118.21 1unk h LYS 20 Ca 0.25 -0.23 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 1unk h LYS 20 Cb -0.07 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1unk h LYS 20 CO -0.06 0.84 -0.36 0.93 -0.57 0.00 0.00 179.45 180.23 1unk h GLU 21 N 0.80 0.46 -0.51 3.15 4.39 -0.37 -2.44 114.58 120.06 1unk h GLU 21 Ca 0.16 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1unk h GLU 21 Cb 0.45 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 1unk h GLU 21 CO 0.02 0.76 0.23 0.82 -1.16 0.00 0.00 179.01 179.68 1unk h ILE 22 N 0.39 1.20 -0.42 3.13 2.04 -0.87 -1.14 117.51 121.85 1unk h ILE 22 Ca 0.04 -0.60 0.08 0.00 1.00 0.00 0.00 64.86 65.39 1unk h ILE 22 Cb 0.81 0.64 -0.07 0.00 -0.74 0.00 0.00 36.82 37.46 1unk h ILE 22 CO 0.07 0.23 -0.03 -0.33 0.00 0.00 0.00 178.15 178.09 1unk h GLU 23 N 0.69 0.07 -0.60 2.37 5.08 -0.91 0.13 114.58 121.41 1unk h GLU 23 Ca 0.17 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 1unk h GLU 23 Cb 0.15 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1unk h GLU 23 CO -0.02 0.05 0.07 0.87 -1.00 0.00 0.00 179.01 178.98 1unk h LYS 24 N 0.08 1.00 0.00 2.33 1.57 -1.27 -2.08 116.57 118.19 1unk h LYS 24 Ca 0.21 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1unk h LYS 24 Cb 0.30 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 1unk h LYS 24 CO -0.37 0.94 -0.16 0.93 -0.57 0.00 0.00 179.45 180.22 1unk h GLU 25 N 0.93 0.00 -0.61 3.15 4.39 -0.35 -2.25 114.58 119.85 1unk h GLU 25 Ca 0.18 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.93 1unk h GLU 25 Cb 0.44 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.06 1unk h GLU 25 CO 0.01 0.16 0.41 -0.97 -1.16 0.00 0.00 179.01 177.46 1unk h ASN 26 N 0.00 0.58 -0.44 1.42 -1.24 -0.26 -2.59 115.58 113.05 1unk h ASN 26 Ca -0.00 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.00 1unk h ASN 26 Cb 0.53 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.45 1unk h ASN 26 CO 0.02 0.39 0.00 1.33 -1.29 0.00 0.00 177.43 177.88 1unk n VAL 27 N -4.47 0.58 -1.54 2.57 0.24 -0.85 -4.98 118.33 109.88 1unk n VAL 27 Ca 0.08 -0.70 -0.30 0.00 -2.04 0.00 0.00 64.34 61.38 1unk n VAL 27 Cb 0.18 0.62 0.07 0.00 -1.47 0.00 0.00 33.84 33.24 1unk n VAL 27 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1unk s ALA 28 N -1.42 2.44 0.28 2.33 0.00 -0.98 -4.97 121.76 119.44 1unk s ALA 28 Ca 0.38 -0.04 -0.01 0.00 0.00 0.00 0.00 51.96 52.29 1unk s ALA 28 Cb 0.21 -3.15 0.45 0.00 0.00 0.00 0.00 23.12 20.63 1unk s ALA 28 CO 0.29 -1.50 1.91 0.00 0.00 0.00 0.00 175.76 176.45 1unk h ALA 29 N -0.92 1.44 -1.82 0.00 0.00 -1.93 -3.44 119.26 112.58 1unk h ALA 29 Ca -0.45 -0.03 -0.53 0.00 0.00 0.00 0.00 54.91 53.90 1unk h ALA 29 Cb 1.24 -0.30 -0.14 0.00 0.00 0.00 0.00 17.79 18.59 1unk h ALA 29 CO 0.58 0.44 -0.59 0.95 0.00 0.00 0.00 179.25 180.62 1unk s THR 30 N -5.98 1.28 -1.65 0.00 -4.23 -1.26 -5.05 115.64 98.76 1unk s THR 30 Ca -0.12 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.57 1unk s THR 30 Cb 0.20 -2.75 0.44 0.00 1.34 0.00 0.00 72.50 71.73 1unk s THR 30 CO 0.81 0.00 1.36 0.47 -0.54 0.00 0.00 174.62 176.72 1unk n ASP 31 N -0.85 3.35 -0.17 3.99 8.00 -1.26 -4.64 116.55 124.98 1unk n ASP 31 Ca -0.04 -1.96 -0.05 0.00 0.71 0.00 0.00 54.79 53.45 1unk n ASP 31 Cb 0.67 -0.32 0.05 0.00 -0.02 0.00 0.00 41.12 41.50 1unk n ASP 31 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1unk h ASP 32 N 3.37 0.39 0.20 -2.24 3.32 -1.97 -0.92 116.42 118.56 1unk h ASP 32 Ca 0.00 0.02 -0.29 0.00 0.02 0.00 0.00 57.03 56.79 1unk h ASP 32 Cb 0.86 -0.05 0.03 0.00 0.22 0.00 0.00 39.33 40.39 1unk h ASP 32 CO 0.00 0.27 -1.24 0.58 -1.72 0.00 0.00 179.24 177.13 1unk h VAL 33 N 0.51 1.35 -0.77 -1.35 2.07 -1.97 -3.24 116.25 112.85 1unk h VAL 33 Ca 0.22 -2.60 0.13 0.00 0.82 0.00 0.00 66.70 65.27 1unk h VAL 33 Cb 0.11 3.02 -0.09 0.00 -1.52 0.00 0.00 31.29 32.81 1unk h VAL 33 CO -0.14 0.77 0.36 0.25 0.02 0.00 0.00 177.57 178.83 1unk h LEU 34 N 0.03 0.42 -0.70 2.57 5.85 -1.78 -1.74 115.31 119.96 1unk h LEU 34 Ca -0.21 0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.49 1unk h LEU 34 Cb 1.97 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 43.00 1unk h LEU 34 CO 0.23 0.20 -0.10 0.44 -0.34 0.00 0.00 178.44 178.87 1unk h ASP 35 N 0.56 0.89 -0.56 1.25 3.32 -1.25 0.88 116.42 121.51 1unk h ASP 35 Ca 0.41 -0.28 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 1unk h ASP 35 Cb 0.54 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1unk h ASP 35 CO -0.34 1.01 0.09 0.58 -1.72 0.00 0.00 179.24 178.86 1unk h VAL 36 N 0.81 1.25 -0.42 -1.35 2.07 -1.47 -0.86 116.25 116.27 1unk h VAL 36 Ca 0.13 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 1unk h VAL 36 Cb 0.63 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1unk h VAL 36 CO 0.04 0.35 0.17 -0.07 0.02 0.00 0.00 177.57 178.09 1unk h LEU 37 N 0.82 0.59 -0.67 2.57 3.38 -0.95 -2.28 115.31 118.76 1unk h LEU 37 Ca 0.17 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1unk h LEU 37 Cb 0.41 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1unk h LEU 37 CO 0.01 0.59 0.16 -0.07 0.09 0.00 0.00 178.44 179.22 1unk h LEU 38 N 0.54 1.01 -0.79 1.67 3.38 -0.57 -1.54 115.31 119.01 1unk h LEU 38 Ca 0.14 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1unk h LEU 38 Cb 0.19 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1unk h LEU 38 CO -0.01 0.98 0.47 -0.08 0.09 0.00 0.00 178.44 179.89 1unk h GLU 39 N 0.99 1.08 -0.49 1.13 4.81 -1.12 -1.80 114.58 119.18 1unk h GLU 39 Ca 0.21 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 1unk h GLU 39 Cb 0.37 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1unk h GLU 39 CO 0.00 0.76 0.14 1.25 -0.73 0.00 0.00 179.01 180.44 1unk h HIS 40 N 1.08 0.81 -0.55 0.92 2.76 -1.18 -1.72 115.15 117.27 1unk h HIS 40 Ca 0.28 -0.09 0.07 0.00 -2.20 0.00 0.00 60.37 58.43 1unk h HIS 40 Cb -0.03 -0.23 -0.06 0.00 1.55 0.00 0.00 27.41 28.64 1unk h HIS 40 CO -0.01 0.72 0.23 0.35 -1.30 0.00 0.00 177.93 177.92 1unk h PHE 41 N 0.67 0.41 -0.36 5.26 3.57 -0.86 -0.18 116.94 125.46 1unk h PHE 41 Ca 0.16 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1unk h PHE 41 Cb 0.30 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 1unk h PHE 41 CO 0.02 0.15 0.19 0.28 -2.23 0.00 0.00 178.31 176.72 1unk h VAL 42 N 0.44 1.15 -0.12 1.41 2.07 -1.06 -1.40 116.25 118.74 1unk h VAL 42 Ca 0.26 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.41 1unk h VAL 42 Cb 0.26 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1unk h VAL 42 CO -0.24 0.15 0.01 0.50 0.02 0.00 0.00 177.57 178.01 1unk h LYS 43 N 0.45 0.05 0.09 1.57 3.64 -0.65 -1.91 116.57 119.81 1unk h LYS 43 Ca 0.13 -0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.24 1unk h LYS 43 Cb 0.07 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1unk h LYS 43 CO -0.02 0.03 -1.15 -0.84 -2.27 0.00 0.00 179.45 175.20 1unk h ILE 44 N 0.05 1.43 -0.11 2.00 -2.65 -0.89 -3.34 117.51 113.99 1unk h ILE 44 Ca 0.05 -2.75 -0.23 0.00 1.03 0.00 0.00 64.86 62.96 1unk h ILE 44 Cb 0.06 2.73 0.01 0.00 -2.05 0.00 0.00 36.82 37.57 1unk h ILE 44 CO -0.08 0.81 -0.84 0.71 0.03 0.00 0.00 178.15 178.78 1unk h THR 45 N 0.16 1.28 -0.22 0.16 1.35 -1.24 -3.38 112.91 111.01 1unk h THR 45 Ca -0.13 -2.04 -0.10 0.00 -0.55 0.00 0.00 66.41 63.60 1unk h THR 45 Cb 1.83 2.10 -0.04 0.00 -1.73 0.00 0.00 68.15 70.32 1unk h THR 45 CO 0.20 0.64 -0.09 -0.62 -0.25 0.00 0.00 175.52 175.40 1unk n GLU 46 N -3.93 -1.35 -2.44 4.72 1.02 -0.72 -4.97 120.64 112.97 1unk n GLU 46 Ca -0.09 0.57 -0.41 0.00 -0.02 0.00 0.00 57.16 57.22 1unk n GLU 46 Cb 0.78 -4.69 -0.04 0.00 -0.02 0.00 0.00 31.44 27.47 1unk n GLU 46 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1unk s HIS 47 N -1.66 3.50 0.44 -0.32 2.46 -1.26 -4.94 115.29 113.51 1unk s HIS 47 Ca 0.00 1.49 0.21 0.00 0.47 0.00 0.00 55.06 57.23 1unk s HIS 47 Cb 0.00 -3.36 1.17 0.00 -0.13 0.00 0.00 32.58 30.26 1unk s HIS 47 CO 0.00 -0.94 1.85 -1.35 -2.47 0.00 0.00 174.74 171.82 1unk h PRO 48 N 5.32 0.31 0.00 2.88 0.11 -1.99 -0.56 132.00 138.07 1unk h PRO 48 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1unk h PRO 48 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1unk h PRO 48 CO 0.74 0.20 0.00 -0.44 -0.21 0.00 0.00 178.00 178.30 1unk h ASP 49 N 0.32 0.00 0.00 -2.05 3.32 -2.00 -3.49 116.42 112.52 1unk h ASP 49 Ca 0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.53 1unk h ASP 49 Cb 1.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.90 1unk h ASP 49 CO -0.16 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.97 1unk n GLY 50 N 0.45 3.32 0.00 2.75 0.00 -0.22 -2.12 105.19 109.37 1unk n GLY 50 Ca 0.02 -0.16 0.06 0.00 0.00 0.00 0.00 46.02 45.94 1unk n GLY 50 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1unk n THR 51 N 0.00 0.92 0.24 2.61 -2.24 -1.26 -2.11 114.28 112.44 1unk n THR 51 Ca 0.00 0.23 0.08 0.00 -2.27 0.00 0.00 64.05 62.09 1unk n THR 51 Cb 0.00 -1.02 0.59 0.00 -2.10 0.00 0.00 70.33 67.81 1unk n THR 51 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1unk h ASP 52 N 0.00 0.00 -0.07 3.42 3.32 -1.75 0.66 116.42 122.00 1unk h ASP 52 Ca 0.00 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.07 1unk h ASP 52 Cb 0.17 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 1unk h ASP 52 CO 0.00 0.14 0.08 -0.07 -1.72 0.00 0.00 179.24 177.67 1unk h LEU 53 N 0.00 0.00 0.00 1.55 3.38 -1.60 -0.39 115.31 118.25 1unk h LEU 53 Ca -0.00 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.59 1unk h LEU 53 Cb 0.26 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 1unk h LEU 53 CO 0.02 0.00 -2.43 -0.38 0.09 0.00 0.00 178.44 175.74 1unk n ILE 54 N -3.80 1.44 -0.04 1.22 5.41 0.05 -4.57 119.36 119.07 1unk n ILE 54 Ca -0.01 -0.62 0.03 0.00 1.00 0.00 0.00 62.75 63.15 1unk n ILE 54 Cb 0.18 -1.21 -0.14 0.00 -0.71 0.00 0.00 39.64 37.76 1unk n ILE 54 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1unk n TYR 55 N -3.14 0.00 -3.17 1.39 4.01 -0.18 -4.66 117.16 111.41 1unk n TYR 55 Ca -0.42 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.09 1unk n TYR 55 Cb 1.01 -0.58 -0.06 0.00 -0.31 0.00 0.00 39.34 39.41 1unk n TYR 55 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1unk n TYR 56 N -2.32 -0.65 -1.99 -0.72 9.36 -0.18 -5.03 117.16 115.63 1unk n TYR 56 Ca -0.12 -3.39 -0.34 0.00 3.32 0.00 0.00 57.90 57.36 1unk n TYR 56 Cb 0.69 -0.16 0.03 0.00 -0.63 0.00 0.00 39.34 39.27 1unk n TYR 56 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1unk s PRO 57 N -0.95 3.05 0.26 2.98 0.04 -1.06 -4.58 135.00 134.75 1unk s PRO 57 Ca 0.35 1.49 -0.30 0.00 0.04 0.00 0.00 61.00 62.57 1unk s PRO 57 Cb 0.17 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 32.62 1unk s PRO 57 CO -0.13 -1.07 1.59 -1.12 0.04 0.00 0.00 177.00 176.32 1unk s SER 58 N -2.21 6.43 0.37 6.66 0.01 -1.26 -4.90 113.70 118.80 1unk s SER 58 Ca 0.70 2.87 0.15 0.00 1.31 0.00 0.00 55.95 60.98 1unk s SER 58 Cb -0.22 -2.62 0.74 0.00 0.21 0.00 0.00 66.02 64.12 1unk s SER 58 CO 0.35 -0.89 1.80 0.44 0.41 0.00 0.00 173.24 175.35 1unk h ASP 59 N 5.35 0.00 -0.12 2.44 3.32 -2.02 -2.68 116.42 122.71 1unk h ASP 59 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1unk h ASP 59 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1unk h ASP 59 CO 0.83 0.38 0.00 0.59 -1.72 0.00 0.00 179.24 179.32 1unk n ASN 60 N -3.88 1.07 -3.91 6.45 3.02 -1.26 -4.75 115.26 112.01 1unk n ASN 60 Ca -0.01 -2.05 -0.11 0.00 -0.03 0.00 0.00 54.58 52.37 1unk n ASN 60 Cb 0.44 -0.23 -0.12 0.00 -0.61 0.00 0.00 39.78 39.26 1unk n ASN 60 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1unk s ARG 61 N -1.66 0.20 -0.03 3.52 3.52 -1.01 -5.14 118.95 118.35 1unk s ARG 61 Ca 0.09 -0.26 -0.30 0.00 -0.13 0.00 0.00 55.73 55.13 1unk s ARG 61 Cb 0.05 0.08 -0.03 0.00 -1.56 0.00 0.00 34.95 33.49 1unk s ARG 61 CO 0.05 -0.03 1.16 0.16 -0.81 0.00 0.00 175.30 175.83 1unk s ASP 62 N -0.73 7.10 -0.83 -2.12 -4.77 -1.26 -4.70 116.67 109.35 1unk s ASP 62 Ca -0.08 1.81 -0.25 0.00 -3.30 0.00 0.00 52.55 50.73 1unk s ASP 62 Cb -0.05 -2.56 0.00 0.00 -1.09 0.00 0.00 42.92 39.22 1unk s ASP 62 CO -0.00 -0.52 1.64 -0.62 0.70 0.00 0.00 175.17 176.36 1unk s ASP 63 N 1.33 5.78 0.05 2.11 2.15 -1.26 -3.46 116.67 123.37 1unk s ASP 63 Ca 0.55 -0.61 -0.27 0.00 0.43 0.00 0.00 52.55 52.65 1unk s ASP 63 Cb -0.25 -2.56 0.09 0.00 -0.30 0.00 0.00 42.92 39.91 1unk s ASP 63 CO 0.23 -2.12 0.84 -0.94 -0.17 0.00 0.00 175.17 173.02 1unk s SER 64 N 6.24 -0.37 0.57 -0.34 1.04 -1.26 -4.93 113.70 114.64 1unk s SER 64 Ca 0.55 -0.07 0.27 0.00 0.48 0.00 0.00 55.95 57.18 1unk s SER 64 Cb -0.06 0.44 1.53 0.00 0.10 0.00 0.00 66.02 68.03 1unk s SER 64 CO 0.05 -0.74 2.04 -0.65 0.98 0.00 0.00 173.24 174.92 1unk h PRO 65 N 2.00 0.00 0.07 4.02 0.11 -1.94 0.28 132.00 136.54 1unk h PRO 65 Ca -0.24 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.57 1unk h PRO 65 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1unk h PRO 65 CO 0.31 0.00 -1.53 0.93 -0.21 0.00 0.00 178.00 177.50 1unk h GLU 66 N 0.00 0.14 -0.20 1.05 3.07 -1.95 -2.42 114.58 114.27 1unk h GLU 66 Ca 0.15 -0.24 -0.07 0.00 -0.50 0.00 0.00 59.36 58.69 1unk h GLU 66 Cb 0.72 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.70 1unk h GLU 66 CO -0.00 0.93 -0.19 0.78 -1.40 0.00 0.00 179.01 179.13 1unk h GLY 67 N 2.35 0.38 0.85 -3.84 0.00 -0.78 -1.29 103.07 100.74 1unk h GLY 67 Ca -0.23 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 46.76 1unk h GLY 67 CO 0.13 0.25 -0.08 -2.22 0.00 0.00 0.00 176.54 174.62 1unk h ILE 68 N 0.32 1.29 -0.59 2.60 2.04 -0.63 -2.27 117.51 120.28 1unk h ILE 68 Ca 0.06 -1.11 -0.05 0.00 1.00 0.00 0.00 64.86 64.76 1unk h ILE 68 Cb 0.53 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 1unk h ILE 68 CO 0.03 0.34 0.16 0.58 0.00 0.00 0.00 178.15 179.27 1unk h VAL 69 N 0.23 1.23 0.06 1.67 2.07 -1.12 -1.79 116.25 118.60 1unk h VAL 69 Ca 0.06 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 1unk h VAL 69 Cb 0.55 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1unk h VAL 69 CO 0.03 0.31 -0.03 0.50 0.02 0.00 0.00 177.57 178.40 1unk h LYS 70 N 0.86 -0.08 -0.92 1.57 3.64 -1.10 0.19 116.57 120.74 1unk h LYS 70 Ca 0.19 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.63 1unk h LYS 70 Cb 0.28 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.06 1unk h LYS 70 CO -0.01 0.09 0.58 1.49 -2.27 0.00 0.00 179.45 179.34 1unk h GLU 71 N -0.24 1.05 -0.19 1.90 4.81 -1.16 -2.04 114.58 118.71 1unk h GLU 71 Ca -0.01 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1unk h GLU 71 Cb 0.21 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1unk h GLU 71 CO 0.01 0.69 0.11 0.82 -0.73 0.00 0.00 179.01 179.92 1unk h ILE 72 N 1.08 1.10 -0.77 2.32 2.04 -0.87 -0.95 117.51 121.47 1unk h ILE 72 Ca 0.39 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.95 1unk h ILE 72 Cb 0.13 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1unk h ILE 72 CO -0.16 0.10 0.37 0.11 0.00 0.00 0.00 178.15 178.56 1unk h LYS 73 N 0.21 1.10 -0.08 2.37 1.57 -0.61 -1.63 116.57 119.51 1unk h LYS 73 Ca 0.07 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1unk h LYS 73 Cb 0.06 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 1unk h LYS 73 CO -0.01 0.86 0.02 0.93 -0.57 0.00 0.00 179.45 180.68 1unk h GLU 74 N 1.08 0.13 -0.63 3.15 5.08 -1.25 0.02 114.58 122.16 1unk h GLU 74 Ca 0.26 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.53 1unk h GLU 74 Cb 0.12 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1unk h GLU 74 CO -0.03 0.33 0.15 2.35 -1.00 0.00 0.00 179.01 180.81 1unk h TRP 75 N -0.09 1.06 -0.02 4.33 7.01 -1.08 -0.46 115.95 126.70 1unk h TRP 75 Ca 0.02 -0.13 -0.00 0.00 2.11 0.00 0.00 58.89 60.89 1unk h TRP 75 Cb 0.26 -0.30 -0.00 0.00 -2.10 0.00 0.00 29.16 27.02 1unk h TRP 75 CO 0.01 0.89 0.00 0.00 -2.79 0.00 0.00 178.44 176.55 1unk h ARG 76 N 0.93 0.04 -0.20 2.65 3.08 -1.22 0.05 114.38 119.71 1unk h ARG 76 Ca 0.20 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.28 1unk h ARG 76 Cb 0.36 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.36 1unk h ARG 76 CO 0.00 0.28 -0.09 0.00 -1.07 0.00 0.00 179.97 179.09 1unk h ALA 77 N 0.76 0.08 -0.79 0.04 0.00 -0.95 -0.49 119.26 117.92 1unk h ALA 77 Ca 0.01 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1unk h ALA 77 Cb 0.26 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1unk h ALA 77 CO 0.00 -0.51 0.52 0.00 0.00 0.00 0.00 179.25 179.25 1unk h ALA 78 N 1.12 1.56 -0.35 0.00 0.00 -0.97 -2.71 119.26 117.90 1unk h ALA 78 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1unk h ALA 78 Cb 0.22 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1unk h ALA 78 CO -0.24 0.35 0.00 0.09 0.00 0.00 0.00 179.25 179.45 1unk n ASN 79 N -4.46 1.93 -0.50 0.00 3.02 -0.01 -4.94 115.26 110.31 1unk n ASN 79 Ca 0.11 -2.02 -0.07 0.00 -0.03 0.00 0.00 54.58 52.57 1unk n ASN 79 Cb 0.14 -0.25 -0.03 0.00 -0.61 0.00 0.00 39.78 39.04 1unk n ASN 79 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1unk n GLY 80 N 1.03 0.83 3.88 7.41 0.00 -0.47 -5.02 105.19 112.85 1unk n GLY 80 Ca 0.12 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 1unk n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1unk s LYS 81 N -2.17 3.68 0.49 1.61 1.02 -0.32 -5.02 119.74 119.02 1unk s LYS 81 Ca 0.00 0.03 -0.23 0.00 0.02 0.00 0.00 55.97 55.79 1unk s LYS 81 Cb 0.00 -2.93 -0.07 0.00 -0.52 0.00 0.00 37.83 34.31 1unk s LYS 81 CO 0.00 0.52 1.34 -1.25 -0.92 0.00 0.00 175.35 175.04 1unk s PRO 82 N -2.24 3.50 0.00 -1.68 0.04 -1.26 -4.27 135.00 129.09 1unk s PRO 82 Ca 0.36 2.20 0.00 0.00 0.04 0.00 0.00 61.00 63.60 1unk s PRO 82 Cb -0.13 -2.46 0.00 0.00 0.04 0.00 0.00 34.50 31.95 1unk s PRO 82 CO 0.21 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 176.76 1unk n GLY 83 N 0.64 2.47 3.71 0.56 0.00 -1.26 -4.83 105.19 106.49 1unk n GLY 83 Ca 0.08 -2.06 -0.34 0.00 0.00 0.00 0.00 46.02 43.69 1unk n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1unk s PHE 84 N 1.69 1.95 0.86 1.61 0.08 -1.26 -3.86 117.98 119.05 1unk s PHE 84 Ca 0.00 1.61 -0.10 0.00 0.12 0.00 0.00 56.93 58.56 1unk s PHE 84 Cb 0.00 -3.51 0.11 0.00 -0.57 0.00 0.00 43.02 39.05 1unk s PHE 84 CO 0.00 -2.77 1.13 0.21 -0.10 0.00 0.00 175.22 173.69 1unk s LYS 85 N -3.92 1.49 0.06 0.44 2.20 0.41 -4.92 119.74 115.49 1unk s LYS 85 Ca 0.75 1.41 -0.30 0.00 -0.36 0.00 0.00 55.97 57.48 1unk s LYS 85 Cb -0.30 -1.79 -0.04 0.00 -1.51 0.00 0.00 37.83 34.18 1unk s LYS 85 CO 0.47 -2.25 0.99 -1.14 -0.36 0.00 0.00 175.35 173.05 1unk s GLN 86 N -4.73 4.61 0.00 4.03 2.00 -1.26 -4.26 119.66 120.05 1unk s GLN 86 Ca 0.65 1.46 0.00 0.00 -2.00 0.00 0.00 55.36 55.47 1unk s GLN 86 Cb -0.21 -3.41 0.00 0.00 0.80 0.00 0.00 33.01 30.19 1unk s GLN 86 CO 0.57 0.05 0.00 0.41 -0.50 0.00 0.00 175.29 175.82