#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a32 s THR 3 N 0.00 4.24 0.21 1.96 -4.23 -1.26 -4.87 115.64 111.69 1a32 s THR 3 Ca 0.00 0.90 -0.09 0.00 -1.18 0.00 0.00 61.69 61.32 1a32 s THR 3 Cb 0.00 -3.57 0.16 0.00 1.34 0.00 0.00 72.50 70.42 1a32 s THR 3 CO 0.00 -0.78 1.86 1.56 -0.54 0.00 0.00 174.62 176.72 1a32 h GLN 4 N 0.10 0.90 0.28 3.99 4.20 -2.04 0.15 115.11 122.68 1a32 h GLN 4 Ca -0.45 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.20 1a32 h GLN 4 Cb 1.20 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 28.74 1a32 h GLN 4 CO 0.59 0.59 -0.49 1.49 -0.67 0.00 0.00 178.83 180.34 1a32 h GLU 5 N 0.92 -0.81 -0.20 1.46 4.22 -1.98 0.37 114.58 118.56 1a32 h GLU 5 Ca 0.29 0.06 -0.05 0.00 0.08 0.00 0.00 59.36 59.74 1a32 h GLU 5 Cb 0.00 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1a32 h GLU 5 CO -0.11 -0.54 -0.09 -0.09 -2.18 0.00 0.00 179.01 176.01 1a32 h ARG 6 N -0.84 0.32 -0.42 1.92 9.65 -1.90 0.11 114.38 123.22 1a32 h ARG 6 Ca -0.02 -0.07 -0.14 0.00 -1.10 0.00 0.00 59.98 58.64 1a32 h ARG 6 Cb 0.79 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.32 1a32 h ARG 6 CO -0.18 0.42 -0.30 -0.22 2.80 0.00 0.00 179.97 182.49 1a32 h LYS 7 N 0.30 0.95 0.00 0.20 3.64 -0.15 -0.55 116.57 120.97 1a32 h LYS 7 Ca 0.06 -0.45 -0.18 0.00 -1.27 0.00 0.00 60.65 58.81 1a32 h LYS 7 Cb 0.35 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1a32 h LYS 7 CO 0.02 1.12 -0.84 0.00 -2.27 0.00 0.00 179.45 177.48 1a32 h ARG 8 N 0.78 0.06 -0.10 1.90 3.08 0.08 -2.32 114.38 117.86 1a32 h ARG 8 Ca 0.08 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 1a32 h ARG 8 Cb 0.88 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.95 1a32 h ARG 8 CO 0.08 0.86 -0.09 1.49 -1.07 0.00 0.00 179.97 181.24 1a32 h GLU 9 N 0.03 0.23 -0.95 0.04 4.81 -0.68 -2.91 114.58 115.16 1a32 h GLU 9 Ca -0.02 -0.12 0.05 0.00 -0.13 0.00 0.00 59.36 59.14 1a32 h GLU 9 Cb 1.47 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.79 1a32 h GLU 9 CO 0.11 0.64 0.61 0.82 -0.73 0.00 0.00 179.01 180.46 1a32 h ILE 10 N -0.17 1.13 0.21 2.32 2.04 -1.10 -0.19 117.51 121.75 1a32 h ILE 10 Ca 0.02 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.49 1a32 h ILE 10 Cb 0.59 -0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 1a32 h ILE 10 CO 0.02 0.21 -0.41 0.40 0.00 0.00 0.00 178.15 178.38 1a32 h ILE 11 N 1.16 0.18 -0.23 -0.67 2.04 -1.34 0.16 117.51 118.81 1a32 h ILE 11 Ca 0.39 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 66.16 1a32 h ILE 11 Cb 0.06 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1a32 h ILE 11 CO -0.14 0.00 -0.21 1.05 0.00 0.00 0.00 178.15 178.85 1a32 h GLU 12 N -0.70 0.54 -0.98 2.37 4.11 -1.34 -2.36 114.58 116.22 1a32 h GLU 12 Ca 0.00 -0.28 0.22 0.00 0.07 0.00 0.00 59.36 59.37 1a32 h GLU 12 Cb 0.69 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.86 1a32 h GLU 12 CO -0.18 0.87 0.62 0.37 0.07 0.00 0.00 179.01 180.76 1a32 h GLN 13 N 0.24 0.53 -0.41 1.06 4.15 -0.88 -2.32 115.11 117.48 1a32 h GLN 13 Ca 0.04 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1a32 h GLN 13 Cb 0.76 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.33 1a32 h GLN 13 CO 0.05 0.35 0.00 1.19 -1.93 0.00 0.00 178.83 178.49 1a32 n PHE 14 N -4.65 0.68 -2.99 3.99 3.72 0.03 -4.92 117.46 113.32 1a32 n PHE 14 Ca 0.23 -0.56 -0.41 0.00 -0.05 0.00 0.00 57.45 56.65 1a32 n PHE 14 Cb 0.70 -0.08 -0.05 0.00 -0.94 0.00 0.00 39.48 39.11 1a32 n PHE 14 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 1a32 s LYS 15 N -1.32 4.07 -0.03 -1.08 -2.85 -0.87 -5.01 119.74 112.64 1a32 s LYS 15 Ca 0.31 0.66 -0.30 0.00 -1.00 0.00 0.00 55.97 55.64 1a32 s LYS 15 Cb 0.18 -3.68 -0.03 0.00 -2.06 0.00 0.00 37.83 32.25 1a32 s LYS 15 CO 0.18 -0.54 1.08 0.54 0.10 0.00 0.00 175.35 176.71 1a32 s VAL 16 N 2.75 4.54 -5.00 1.79 0.11 -1.26 -4.96 120.40 118.37 1a32 s VAL 16 Ca 0.31 1.82 0.00 0.00 -2.93 0.00 0.00 61.98 61.18 1a32 s VAL 16 Cb -0.15 -4.17 0.00 0.00 -1.53 0.00 0.00 36.38 30.53 1a32 s VAL 16 CO 0.10 0.07 0.00 1.41 -3.33 0.00 0.00 175.10 173.34 1a32 n HIS 17 N 4.53 0.00 0.00 1.54 -0.00 -1.26 -5.16 115.22 114.87 1a32 n HIS 17 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.81 1a32 n HIS 17 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.47 1a32 n HIS 17 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 1a32 n GLU 18 N -0.13 2.73 -1.01 -0.41 0.00 -1.26 -4.74 120.64 115.81 1a32 n GLU 18 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 57.16 57.16 1a32 n GLU 18 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 31.44 31.44 1a32 n GLU 18 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1a32 n ASN 19 N 0.00 -3.70 0.00 -1.84 5.15 -1.26 -4.93 115.26 108.67 1a32 n ASN 19 Ca 0.00 0.01 0.00 0.00 -0.60 0.00 0.00 54.58 53.99 1a32 n ASN 19 Cb 0.00 -1.24 0.00 0.00 -0.53 0.00 0.00 39.78 38.01 1a32 n ASN 19 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1a32 n ASP 20 N -0.11 0.00 -2.82 1.20 2.03 -1.26 -4.83 116.55 110.76 1a32 n ASP 20 Ca -0.00 0.30 -0.18 0.00 0.52 0.00 0.00 54.79 55.42 1a32 n ASP 20 Cb 0.12 -0.10 -0.03 0.00 -0.72 0.00 0.00 41.12 40.38 1a32 n ASP 20 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1a32 n THR 21 N -0.81 0.00 0.64 5.18 -2.24 -1.26 -4.72 114.28 111.06 1a32 n THR 21 Ca 0.00 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.87 1a32 n THR 21 Cb 0.00 -0.21 0.26 0.00 -2.10 0.00 0.00 70.33 68.28 1a32 n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a32 n GLY 22 N -0.68 1.09 3.85 3.38 0.00 -1.26 -4.67 105.19 106.91 1a32 n GLY 22 Ca 0.05 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 45.16 1a32 n GLY 22 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a32 s SER 23 N -1.26 6.24 0.20 1.61 0.15 -1.26 -5.01 113.70 114.37 1a32 s SER 23 Ca 0.34 0.43 -0.11 0.00 0.70 0.00 0.00 55.95 57.30 1a32 s SER 23 Cb 0.18 -1.99 0.17 0.00 -1.71 0.00 0.00 66.02 62.67 1a32 s SER 23 CO 0.25 0.40 1.82 -0.65 1.20 0.00 0.00 173.24 176.27 1a32 h PRO 24 N 5.01 0.68 -0.45 5.44 0.11 -1.98 -0.58 132.00 140.23 1a32 h PRO 24 Ca -0.54 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.50 1a32 h PRO 24 Cb 1.22 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1a32 h PRO 24 CO 0.58 0.45 0.19 0.93 -0.21 0.00 0.00 178.00 179.93 1a32 h GLU 25 N 0.70 0.67 -0.46 1.05 3.07 -1.96 -0.61 114.58 117.03 1a32 h GLU 25 Ca 0.26 -0.12 -0.11 0.00 -0.50 0.00 0.00 59.36 58.89 1a32 h GLU 25 Cb 0.08 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 1a32 h GLU 25 CO -0.13 0.60 -0.17 0.28 -1.40 0.00 0.00 179.01 178.19 1a32 h VAL 26 N 0.58 1.27 -0.48 3.13 2.07 -1.86 -0.01 116.25 120.95 1a32 h VAL 26 Ca 0.15 -1.30 -0.07 0.00 0.82 0.00 0.00 66.70 66.30 1a32 h VAL 26 Cb 0.18 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1a32 h VAL 26 CO -0.01 0.44 0.01 1.56 0.02 0.00 0.00 177.57 179.59 1a32 h GLN 27 N 0.78 0.83 -0.56 1.57 4.20 -0.95 0.24 115.11 121.22 1a32 h GLN 27 Ca 0.12 -0.26 -0.08 0.00 0.06 0.00 0.00 58.65 58.49 1a32 h GLN 27 Cb 0.70 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 1a32 h GLN 27 CO 0.05 0.87 0.04 0.82 -0.67 0.00 0.00 178.83 179.95 1a32 h ILE 28 N 0.69 1.25 -0.20 2.54 2.04 -0.96 -1.78 117.51 121.10 1a32 h ILE 28 Ca 0.14 -1.03 -0.13 0.00 1.00 0.00 0.00 64.86 64.83 1a32 h ILE 28 Cb 0.49 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1a32 h ILE 28 CO 0.02 0.37 -0.40 0.00 0.00 0.00 0.00 178.15 178.14 1a32 h ALA 29 N 1.16 0.31 -0.63 1.87 0.00 -0.77 -1.54 119.26 119.66 1a32 h ALA 29 Ca 0.17 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1a32 h ALA 29 Cb 0.46 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1a32 h ALA 29 CO 0.02 0.42 0.35 0.82 0.00 0.00 0.00 179.25 180.86 1a32 h ILE 30 N 0.30 1.20 -0.29 0.00 2.04 -0.85 -0.78 117.51 119.13 1a32 h ILE 30 Ca 0.01 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 1a32 h ILE 30 Cb 1.01 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1a32 h ILE 30 CO 0.09 0.22 0.11 -0.07 0.00 0.00 0.00 178.15 178.49 1a32 h LEU 31 N 0.86 0.41 -0.52 1.44 3.38 -1.31 -2.24 115.31 117.34 1a32 h LEU 31 Ca 0.22 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 58.08 1a32 h LEU 31 Cb 0.03 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 1a32 h LEU 31 CO -0.04 0.48 0.21 0.74 0.09 0.00 0.00 178.44 179.93 1a32 h THR 32 N 0.32 0.87 -0.82 0.22 2.02 -0.92 0.30 112.91 114.89 1a32 h THR 32 Ca 0.10 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1a32 h THR 32 Cb 0.21 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 66.99 1a32 h THR 32 CO -0.01 0.08 0.53 -0.08 0.37 0.00 0.00 175.52 176.41 1a32 h GLU 33 N 0.42 1.09 -0.02 6.66 4.57 -1.01 0.20 114.58 126.50 1a32 h GLU 33 Ca 0.25 -0.07 -0.23 0.00 -1.18 0.00 0.00 59.36 58.12 1a32 h GLU 33 Cb 0.23 -0.24 0.01 0.00 -0.16 0.00 0.00 28.75 28.59 1a32 h GLU 33 CO -0.22 0.73 -0.94 1.96 -1.18 0.00 0.00 179.01 179.36 1a32 h GLN 34 N 1.12 0.52 -0.37 1.92 4.20 -0.61 -1.67 115.11 120.22 1a32 h GLN 34 Ca 0.30 -0.54 -0.11 0.00 0.06 0.00 0.00 58.65 58.36 1a32 h GLN 34 Cb -0.10 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 1a32 h GLN 34 CO -0.06 1.17 -0.21 0.82 -0.67 0.00 0.00 178.83 179.88 1a32 h ILE 35 N 0.31 1.27 -0.22 2.54 2.04 0.15 -0.01 117.51 123.58 1a32 h ILE 35 Ca -0.09 -1.29 -0.20 0.00 1.00 0.00 0.00 64.86 64.28 1a32 h ILE 35 Cb 1.58 1.21 0.01 0.00 -0.74 0.00 0.00 36.82 38.87 1a32 h ILE 35 CO 0.17 0.43 -0.64 0.78 0.00 0.00 0.00 178.15 178.88 1a32 h ASN 36 N 0.62 0.95 -0.21 1.72 -0.26 -0.62 -1.90 115.58 115.89 1a32 h ASN 36 Ca 0.09 -0.58 -0.04 0.00 -0.56 0.00 0.00 56.30 55.21 1a32 h ASN 36 Cb 0.69 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.67 1a32 h ASN 36 CO 0.05 1.36 -0.02 0.78 -1.06 0.00 0.00 177.43 178.54 1a32 h ASN 37 N 0.59 0.38 -0.16 5.81 2.35 -1.13 -2.20 115.58 121.22 1a32 h ASN 37 Ca -0.02 -0.34 -0.05 0.00 -0.55 0.00 0.00 56.30 55.35 1a32 h ASN 37 Cb 1.27 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 39.52 1a32 h ASN 37 CO 0.14 0.62 -0.04 0.25 -1.65 0.00 0.00 177.43 176.76 1a32 h LEU 38 N 0.12 0.42 -0.50 1.61 5.85 -1.02 -1.01 115.31 120.78 1a32 h LEU 38 Ca 0.06 -0.08 -0.17 0.00 0.84 0.00 0.00 57.88 58.53 1a32 h LEU 38 Cb 0.44 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1a32 h LEU 38 CO 0.02 0.51 -0.72 0.78 -0.34 0.00 0.00 178.44 178.69 1a32 h ASN 39 N 0.43 0.24 1.07 1.25 -0.26 -1.27 -1.07 115.58 115.96 1a32 h ASN 39 Ca 0.09 -0.16 -0.08 0.00 -0.56 0.00 0.00 56.30 55.59 1a32 h ASN 39 Cb 0.34 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.51 1a32 h ASN 39 CO 0.01 0.88 -0.39 1.05 -1.06 0.00 0.00 177.43 177.92 1a32 h GLU 40 N 0.14 0.00 -0.03 0.81 4.11 -0.98 -2.09 114.58 116.54 1a32 h GLU 40 Ca -0.02 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.32 1a32 h GLU 40 Cb 1.27 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.53 1a32 h GLU 40 CO 0.11 0.39 -0.33 1.25 0.07 0.00 0.00 179.01 180.50 1a32 h HIS 41 N 0.00 0.39 0.00 2.06 2.76 -0.91 -3.18 115.15 116.27 1a32 h HIS 41 Ca -0.00 -0.19 -0.00 0.00 -2.20 0.00 0.00 60.37 57.97 1a32 h HIS 41 Cb 1.03 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.94 1a32 h HIS 41 CO 0.00 0.96 -0.01 -0.07 -1.30 0.00 0.00 177.93 177.50 1a32 h LEU 42 N -0.29 0.00 -0.87 0.26 4.07 -1.18 -1.99 115.31 115.31 1a32 h LEU 42 Ca -0.03 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.89 1a32 h LEU 42 Cb 1.02 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.73 1a32 h LEU 42 CO 0.07 0.01 0.38 -0.09 -1.08 0.00 0.00 178.44 177.73 1a32 h ARG 43 N 0.00 1.20 -0.09 1.13 9.65 -1.35 -2.84 114.38 122.08 1a32 h ARG 43 Ca -0.00 -0.19 0.00 0.00 -1.10 0.00 0.00 59.98 58.69 1a32 h ARG 43 Cb 0.42 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 28.79 1a32 h ARG 43 CO 0.00 0.93 0.00 1.33 2.80 0.00 0.00 179.97 185.03 1a32 n VAL 44 N -4.30 0.10 -2.95 0.20 0.24 -1.01 -4.48 118.33 106.13 1a32 n VAL 44 Ca 0.08 -0.55 -0.22 0.00 -2.04 0.00 0.00 64.34 61.61 1a32 n VAL 44 Cb 0.15 1.33 -0.03 0.00 -1.47 0.00 0.00 33.84 33.83 1a32 n VAL 44 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1a32 n HIS 45 N 1.17 2.33 0.14 6.34 8.25 -0.78 -4.94 115.22 127.74 1a32 n HIS 45 Ca 0.13 -3.72 0.19 0.00 -0.26 0.00 0.00 57.72 54.06 1a32 n HIS 45 Cb 0.52 -0.41 0.77 0.00 1.12 0.00 0.00 29.99 31.99 1a32 n HIS 45 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1a32 h LYS 46 N 2.94 0.00 0.00 -0.41 1.57 -1.76 -1.70 116.57 117.22 1a32 h LYS 46 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1a32 h LYS 46 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1a32 h LYS 46 CO 0.68 0.00 0.00 0.36 -0.57 0.00 0.00 179.45 179.92 1a32 n LYS 47 N -3.67 0.20 -1.35 3.15 -0.00 -1.26 -4.91 118.16 110.32 1a32 n LYS 47 Ca 0.05 0.24 -0.36 0.00 -0.00 0.00 0.00 58.31 58.24 1a32 n LYS 47 Cb 0.52 -1.77 0.07 0.00 -0.00 0.00 0.00 35.03 33.86 1a32 n LYS 47 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1a32 n ASP 48 N -2.12 -0.28 0.00 -5.58 -0.08 -0.64 -4.95 116.55 102.90 1a32 n ASP 48 Ca 0.05 0.65 0.00 0.00 -1.51 0.00 0.00 54.79 53.98 1a32 n ASP 48 Cb 0.36 -1.31 0.00 0.00 2.34 0.00 0.00 41.12 42.51 1a32 n ASP 48 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1a32 n HIS 49 N -2.35 0.00 -0.03 -0.67 8.25 -1.26 -4.91 115.22 114.25 1a32 n HIS 49 Ca 0.12 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.47 1a32 n HIS 49 Cb 0.49 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.64 1a32 n HIS 49 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 1a32 h HIS 50 N 0.00 0.83 0.00 4.41 -0.00 -2.01 -3.20 115.15 115.18 1a32 h HIS 50 Ca 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 60.37 60.09 1a32 h HIS 50 Cb 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 27.25 1a32 h HIS 50 CO 0.00 1.03 0.00 0.43 -0.00 0.00 0.00 177.93 179.39 1a32 n SER 51 N -3.99 0.00 -0.02 3.10 7.64 -1.26 -3.88 113.62 115.21 1a32 n SER 51 Ca -0.03 0.41 -0.12 0.00 1.01 0.00 0.00 58.87 60.14 1a32 n SER 51 Cb 0.58 -0.47 -0.07 0.00 -1.01 0.00 0.00 64.21 63.25 1a32 n SER 51 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1a32 h ARG 52 N 0.00 0.14 -0.48 1.43 2.47 -1.90 -2.49 114.38 113.56 1a32 h ARG 52 Ca 0.00 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1a32 h ARG 52 Cb 0.39 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.67 1a32 h ARG 52 CO 0.00 0.36 0.29 0.00 0.56 0.00 0.00 179.97 181.17 1a32 h ARG 53 N -0.09 0.66 -0.91 0.04 -0.00 -1.77 -2.47 114.38 109.84 1a32 h ARG 53 Ca 0.03 -0.06 0.02 0.00 -0.50 0.00 0.00 59.98 59.46 1a32 h ARG 53 Cb 0.28 -0.14 -0.05 0.00 0.00 0.00 0.00 29.97 30.07 1a32 h ARG 53 CO 0.00 0.48 0.60 0.78 0.00 0.00 0.00 179.97 181.84 1a32 h GLY 54 N 0.64 1.30 1.03 0.04 0.00 -1.72 -2.01 103.07 102.35 1a32 h GLY 54 Ca 0.17 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 1a32 h GLY 54 CO -0.03 0.44 0.15 -2.00 0.00 0.00 0.00 176.54 175.09 1a32 h LEU 55 N 1.20 0.96 -0.94 3.11 7.12 -1.22 -2.41 115.31 123.13 1a32 h LEU 55 Ca 0.35 -0.24 -0.05 0.00 0.13 0.00 0.00 57.88 58.07 1a32 h LEU 55 Cb -0.08 -0.25 -0.03 0.00 -0.53 0.00 0.00 40.66 39.76 1a32 h LEU 55 CO -0.09 0.95 0.17 -0.07 -0.13 0.00 0.00 178.44 179.27 1a32 h LEU 56 N 0.93 0.88 -0.52 2.25 3.38 -0.98 -1.13 115.31 120.12 1a32 h LEU 56 Ca 0.20 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1a32 h LEU 56 Cb 0.37 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1a32 h LEU 56 CO 0.00 0.84 0.10 0.11 0.09 0.00 0.00 178.44 179.59 1a32 h LYS 57 N 0.91 0.84 -0.57 1.13 1.57 -1.15 -1.59 116.57 117.71 1a32 h LYS 57 Ca 0.20 -0.22 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 1a32 h LYS 57 Cb 0.29 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1a32 h LYS 57 CO -0.00 0.82 -0.03 0.52 -0.57 0.00 0.00 179.45 180.18 1a32 h MET 58 N 0.73 1.01 -0.61 3.15 2.86 -1.07 -0.18 114.93 120.83 1a32 h MET 58 Ca 0.16 -0.33 -0.05 0.00 -2.06 0.00 0.00 59.70 57.42 1a32 h MET 58 Cb 0.37 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 1a32 h MET 58 CO 0.01 1.01 0.20 0.28 1.06 0.00 0.00 176.91 179.47 1a32 h VAL 59 N 0.92 1.24 -0.40 -2.22 2.07 -1.07 -1.50 116.25 115.30 1a32 h VAL 59 Ca 0.16 -0.80 -0.09 0.00 0.82 0.00 0.00 66.70 66.79 1a32 h VAL 59 Cb 0.58 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1a32 h VAL 59 CO 0.03 0.31 -0.09 1.23 0.02 0.00 0.00 177.57 179.07 1a32 h GLY 60 N 0.86 0.83 1.93 2.17 0.00 -1.03 -1.92 103.07 105.90 1a32 h GLY 60 Ca 0.20 -0.68 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 1a32 h GLY 60 CO -0.01 0.62 -0.13 1.70 0.00 0.00 0.00 176.54 178.72 1a32 h LYS 61 N 0.58 0.09 0.02 4.80 3.64 -0.94 -2.30 116.57 122.46 1a32 h LYS 61 Ca 0.10 -0.02 -0.21 0.00 -1.27 0.00 0.00 60.65 59.26 1a32 h LYS 61 Cb 0.61 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1a32 h LYS 61 CO 0.04 0.24 -0.93 -0.09 -2.27 0.00 0.00 179.45 176.44 1a32 h ARG 62 N 0.09 0.21 -0.67 1.90 2.43 -0.97 -2.09 114.38 115.28 1a32 h ARG 62 Ca 0.02 -0.25 -0.06 0.00 -0.81 0.00 0.00 59.98 58.89 1a32 h ARG 62 Cb 0.30 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 1a32 h ARG 62 CO 0.02 1.00 0.20 0.00 -1.51 0.00 0.00 179.97 179.67 1a32 h ARG 63 N 0.11 1.05 -0.02 0.20 3.08 -1.04 -0.67 114.38 117.08 1a32 h ARG 63 Ca -0.05 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 59.76 1a32 h ARG 63 Cb 1.58 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 31.48 1a32 h ARG 63 CO 0.14 0.92 0.01 -0.09 -1.07 0.00 0.00 179.97 179.88 1a32 h ARG 64 N 0.98 0.03 -0.77 0.04 2.43 -1.39 0.30 114.38 116.00 1a32 h ARG 64 Ca 0.21 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.35 1a32 h ARG 64 Cb 0.31 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 1a32 h ARG 64 CO -0.00 0.20 0.37 -0.07 -1.51 0.00 0.00 179.97 178.96 1a32 h LEU 65 N -0.14 1.01 -0.63 3.80 3.38 -1.23 -1.07 115.31 120.43 1a32 h LEU 65 Ca 0.01 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1a32 h LEU 65 Cb 0.18 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1a32 h LEU 65 CO -0.00 0.86 0.17 -0.07 0.09 0.00 0.00 178.44 179.49 1a32 h LEU 66 N 1.09 0.93 -1.11 1.67 3.38 -1.04 -1.34 115.31 118.90 1a32 h LEU 66 Ca 0.26 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1a32 h LEU 66 Cb 0.12 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1a32 h LEU 66 CO -0.03 0.91 -0.11 0.00 0.09 0.00 0.00 178.44 179.30 1a32 h ALA 67 N 1.06 1.26 0.09 1.53 0.00 -0.59 -0.38 119.26 122.22 1a32 h ALA 67 Ca 0.20 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1a32 h ALA 67 Cb 0.33 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1a32 h ALA 67 CO -0.00 0.49 -0.04 -0.92 0.00 0.00 0.00 179.25 178.77 1a32 h TYR 68 N 0.47 -0.11 -0.77 0.00 3.20 -0.70 -2.84 116.97 116.22 1a32 h TYR 68 Ca 0.09 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 1a32 h TYR 68 Cb 0.47 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.74 1a32 h TYR 68 CO 0.02 0.15 0.32 1.25 -1.64 0.00 0.00 178.16 178.26 1a32 h LEU 69 N -0.38 1.03 -0.64 2.82 6.46 -1.00 -1.34 115.31 122.28 1a32 h LEU 69 Ca -0.01 -0.15 0.05 0.00 -0.12 0.00 0.00 57.88 57.65 1a32 h LEU 69 Cb 0.32 -0.27 -0.05 0.00 -0.73 0.00 0.00 40.66 39.93 1a32 h LEU 69 CO 0.02 0.90 0.36 -0.09 -0.62 0.00 0.00 178.44 179.02 1a32 h ARG 70 N 1.11 0.66 -0.05 1.25 2.43 -1.06 0.29 114.38 119.01 1a32 h ARG 70 Ca 0.26 -0.04 -0.23 0.00 -0.81 0.00 0.00 59.98 59.16 1a32 h ARG 70 Cb 0.18 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1a32 h ARG 70 CO -0.03 0.44 -0.89 -0.91 -1.51 0.00 0.00 179.97 177.07 1a32 h ASN 71 N 0.68 0.71 -0.15 -3.80 2.35 -1.24 -3.28 115.58 110.85 1a32 h ASN 71 Ca 0.28 -0.52 -0.11 0.00 -0.55 0.00 0.00 56.30 55.39 1a32 h ASN 71 Cb 0.14 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.29 1a32 h ASN 71 CO -0.16 1.31 -0.34 0.50 -1.65 0.00 0.00 177.43 177.09 1a32 h LYS 72 N 0.35 0.50 -1.11 0.81 3.64 -1.00 -3.44 116.57 116.32 1a32 h LYS 72 Ca -0.08 -0.33 0.03 0.00 -1.27 0.00 0.00 60.65 59.00 1a32 h LYS 72 Cb 1.51 0.05 -0.22 0.00 -0.41 0.00 0.00 32.23 33.16 1a32 h LYS 72 CO 0.17 0.95 -0.34 0.34 -2.27 0.00 0.00 179.45 178.29 1a32 s ASP 73 N -6.48 -1.25 0.44 4.20 -1.08 0.07 -5.04 116.67 107.53 1a32 s ASP 73 Ca -0.13 0.50 0.12 0.00 -0.52 0.00 0.00 52.55 52.52 1a32 s ASP 73 Cb 0.06 1.98 0.96 0.00 -1.46 0.00 0.00 42.92 44.46 1a32 s ASP 73 CO 0.80 -0.28 2.00 1.62 0.52 0.00 0.00 175.17 179.83 1a32 h VAL 74 N 6.02 1.12 0.31 1.11 3.04 -1.72 -0.77 116.25 125.36 1a32 h VAL 74 Ca -0.14 -0.50 -0.02 0.00 -1.01 0.00 0.00 66.70 65.04 1a32 h VAL 74 Cb 1.17 1.12 0.00 0.00 -2.01 0.00 0.00 31.29 31.57 1a32 h VAL 74 CO 0.22 0.16 -0.15 0.00 -1.01 0.00 0.00 177.57 176.79 1a32 h ALA 75 N 1.78 -0.42 -0.29 3.17 0.00 -1.92 -1.42 119.26 120.16 1a32 h ALA 75 Ca 0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1a32 h ALA 75 Cb 0.23 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1a32 h ALA 75 CO 0.01 -0.62 0.01 0.00 0.00 0.00 0.00 179.25 178.65 1a32 h ARG 76 N -0.65 0.44 0.06 0.00 3.08 -1.87 -1.44 114.38 114.00 1a32 h ARG 76 Ca -0.04 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 1a32 h ARG 76 Cb 0.46 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1a32 h ARG 76 CO 0.07 0.47 -0.03 -0.92 -1.07 0.00 0.00 179.97 178.49 1a32 h TYR 77 N 0.43 -0.07 0.00 3.04 3.20 -0.99 -2.63 116.97 119.96 1a32 h TYR 77 Ca 0.10 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.84 1a32 h TYR 77 Cb 0.27 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1a32 h TYR 77 CO 0.01 0.12 -0.59 0.00 -1.64 0.00 0.00 178.16 176.06 1a32 h ARG 78 N -0.25 0.00 -0.39 1.82 3.08 -1.15 -2.54 114.38 114.95 1a32 h ARG 78 Ca -0.01 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 1a32 h ARG 78 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1a32 h ARG 78 CO 0.01 0.59 0.04 0.93 -1.07 0.00 0.00 179.97 180.48 1a32 h GLU 79 N 0.00 0.65 -0.11 0.04 4.39 -1.25 -1.43 114.58 116.87 1a32 h GLU 79 Ca -0.01 -0.18 -0.18 0.00 0.34 0.00 0.00 59.36 59.33 1a32 h GLU 79 Cb 1.14 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1a32 h GLU 79 CO 0.08 0.72 -0.70 0.97 -1.16 0.00 0.00 179.01 178.92 1a32 h ILE 80 N 0.49 1.35 -0.34 3.13 6.09 -1.46 -1.94 117.51 124.83 1a32 h ILE 80 Ca 0.11 -2.05 -0.08 0.00 -1.37 0.00 0.00 64.86 61.47 1a32 h ILE 80 Cb 0.40 2.03 -0.02 0.00 0.47 0.00 0.00 36.82 39.70 1a32 h ILE 80 CO 0.01 0.62 -0.14 0.58 -3.07 0.00 0.00 178.15 176.16 1a32 h VAL 81 N 0.34 1.25 -0.21 2.19 2.07 -1.42 -1.70 116.25 118.77 1a32 h VAL 81 Ca -0.03 -1.11 -0.14 0.00 0.82 0.00 0.00 66.70 66.24 1a32 h VAL 81 Cb 1.28 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1a32 h VAL 81 CO 0.13 0.37 -0.40 -0.08 0.02 0.00 0.00 177.57 177.60 1a32 h GLU 82 N 0.54 0.64 -0.03 1.57 4.81 -1.17 -1.52 114.58 119.42 1a32 h GLU 82 Ca 0.09 -0.41 -0.10 0.00 -0.13 0.00 0.00 59.36 58.82 1a32 h GLU 82 Cb 0.56 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1a32 h GLU 82 CO 0.04 1.02 -0.44 0.87 -0.73 0.00 0.00 179.01 179.77 1a32 h LYS 83 N 0.33 0.07 -0.00 1.92 1.57 -1.15 -2.93 116.57 116.37 1a32 h LYS 83 Ca 0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1a32 h LYS 83 Cb 1.00 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1a32 h LYS 83 CO 0.09 0.50 -0.40 1.28 -0.57 0.00 0.00 179.45 180.35 1a32 n LEU 84 N -4.01 0.87 -1.88 2.94 4.77 -0.66 -4.96 117.00 114.08 1a32 n LEU 84 Ca -0.02 -0.20 -0.12 0.00 -0.03 0.00 0.00 56.01 55.65 1a32 n LEU 84 Cb 0.48 -0.16 0.03 0.00 -2.33 0.00 0.00 43.42 41.44 1a32 n LEU 84 CO 0.40 0.18 0.05 0.61 -1.33 0.00 0.00 177.39 177.31 1a32 n GLY 85 N 1.42 0.10 0.00 -0.72 0.00 -0.97 -5.08 105.19 99.93 1a32 n GLY 85 Ca 0.09 -0.25 0.16 0.00 0.00 0.00 0.00 46.02 46.01 1a32 n GLY 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36