#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1irj s SER 6 N 0.00 3.20 0.18 7.83 1.04 -1.26 -4.84 113.70 119.86 1irj s SER 6 Ca 0.00 0.39 -0.10 0.00 0.48 0.00 0.00 55.95 56.73 1irj s SER 6 Cb 0.00 -0.54 0.08 0.00 0.10 0.00 0.00 66.02 65.66 1irj s SER 6 CO 0.00 -2.69 1.67 -0.61 0.98 0.00 0.00 173.24 172.59 1irj h GLN 7 N -1.61 1.03 -0.41 4.02 4.15 -2.05 -1.24 115.11 119.00 1irj h GLN 7 Ca -0.45 -0.28 -0.02 0.00 0.77 0.00 0.00 58.65 58.68 1irj h GLN 7 Cb 1.26 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.81 1irj h GLN 7 CO 0.43 0.96 0.20 1.25 -1.93 0.00 0.00 178.83 179.74 1irj h LEU 8 N 0.94 0.54 -0.81 -2.39 5.85 -1.99 -0.58 115.31 116.87 1irj h LEU 8 Ca 0.19 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1irj h LEU 8 Cb 0.43 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1irj h LEU 8 CO 0.01 0.52 0.48 -0.33 -0.34 0.00 0.00 178.44 178.78 1irj h GLU 9 N 0.53 1.12 -0.73 1.25 5.08 -1.85 -0.51 114.58 119.47 1irj h GLU 9 Ca 0.14 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1irj h GLU 9 Cb 0.12 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 1irj h GLU 9 CO -0.02 0.80 0.31 0.00 -1.00 0.00 0.00 179.01 179.10 1irj h ARG 10 N 1.12 1.07 0.14 2.33 3.08 -0.96 0.22 114.38 121.38 1irj h ARG 10 Ca 0.29 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1irj h ARG 10 Cb -0.02 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 1irj h ARG 10 CO -0.05 0.87 -0.12 -0.91 -1.07 0.00 0.00 179.97 178.68 1irj h ASN 11 N 1.03 -0.32 -0.37 7.04 -0.26 -0.31 -0.35 115.58 122.04 1irj h ASN 11 Ca 0.25 0.03 0.03 0.00 -0.56 0.00 0.00 56.30 56.05 1irj h ASN 11 Cb 0.18 0.11 -0.03 0.00 -1.06 0.00 0.00 38.32 37.51 1irj h ASN 11 CO -0.02 -0.19 0.17 0.40 -1.06 0.00 0.00 177.43 176.72 1irj h ILE 12 N -0.28 0.95 -0.69 2.81 2.04 -0.96 -1.65 117.51 119.73 1irj h ILE 12 Ca -0.00 -0.12 0.10 0.00 1.00 0.00 0.00 64.86 65.84 1irj h ILE 12 Cb 0.26 0.57 -0.08 0.00 -0.74 0.00 0.00 36.82 36.84 1irj h ILE 12 CO -0.02 0.06 0.31 -0.08 0.00 0.00 0.00 178.15 178.42 1irj h GLU 13 N 0.35 0.51 -0.42 2.37 4.81 -0.65 -0.66 114.58 120.88 1irj h GLU 13 Ca 0.16 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.27 1irj h GLU 13 Cb 0.09 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1irj h GLU 13 CO -0.13 0.34 -0.11 1.15 -0.73 0.00 0.00 179.01 179.53 1irj h THR 14 N 0.53 1.26 -0.36 0.32 2.02 -0.47 -0.66 112.91 115.54 1irj h THR 14 Ca 0.35 -1.16 -0.12 0.00 0.77 0.00 0.00 66.41 66.26 1irj h THR 14 Cb 0.42 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 1irj h THR 14 CO -0.30 0.39 -0.25 0.40 0.37 0.00 0.00 175.52 176.14 1irj h ILE 15 N 0.69 1.29 -0.16 3.11 1.08 -0.42 -1.23 117.51 121.86 1irj h ILE 15 Ca 0.12 -1.40 -0.01 0.00 -0.39 0.00 0.00 64.86 63.18 1irj h ILE 15 Cb 0.58 1.39 -0.01 0.00 -3.07 0.00 0.00 36.82 35.72 1irj h ILE 15 CO 0.04 0.46 0.05 0.40 -0.69 0.00 0.00 178.15 178.41 1irj h ILE 16 N 0.59 1.18 -0.57 -0.67 2.04 -1.02 -1.79 117.51 117.27 1irj h ILE 16 Ca 0.07 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.33 1irj h ILE 16 Cb 0.81 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 1irj h ILE 16 CO 0.07 0.17 0.21 0.78 0.00 0.00 0.00 178.15 179.38 1irj h ASN 17 N 0.09 0.77 -0.38 1.72 2.35 -1.09 -1.89 115.58 117.15 1irj h ASN 17 Ca 0.05 -0.11 -0.13 0.00 -0.55 0.00 0.00 56.30 55.57 1irj h ASN 17 Cb 0.22 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1irj h ASN 17 CO -0.00 0.71 -0.28 0.74 -1.65 0.00 0.00 177.43 176.94 1irj h THR 18 N 0.83 1.28 -0.18 2.81 2.02 -1.11 -1.23 112.91 117.33 1irj h THR 18 Ca 0.19 -1.44 0.01 0.00 0.77 0.00 0.00 66.41 65.94 1irj h THR 18 Cb 0.19 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1irj h THR 18 CO -0.02 0.48 0.09 0.15 0.37 0.00 0.00 175.52 176.60 1irj h PHE 19 N 0.66 0.18 0.00 3.16 3.57 -0.96 -2.64 116.94 120.91 1irj h PHE 19 Ca 0.07 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 1irj h PHE 19 Cb 0.86 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.54 1irj h PHE 19 CO 0.06 0.10 -0.01 0.45 -2.23 0.00 0.00 178.31 176.69 1irj h HIS 20 N 0.20 0.00 -0.82 0.41 3.86 -1.28 -0.04 115.15 117.48 1irj h HIS 20 Ca 0.07 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.24 1irj h HIS 20 Cb 0.00 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.44 1irj h HIS 20 CO -0.09 0.01 0.36 0.37 0.86 0.00 0.00 177.93 179.44 1irj h GLN 21 N 0.00 1.20 0.00 2.45 4.15 -0.85 -3.17 115.11 118.90 1irj h GLN 21 Ca -0.00 -0.20 -0.34 0.00 0.77 0.00 0.00 58.65 58.88 1irj h GLN 21 Cb 0.59 -0.21 -0.06 0.00 0.21 0.00 0.00 27.48 28.01 1irj h GLN 21 CO 0.00 0.95 -2.11 0.66 -1.93 0.00 0.00 178.83 176.40 1irj n TYR 22 N -4.30 0.41 0.30 3.99 4.02 -1.01 -4.35 117.16 116.22 1irj n TYR 22 Ca 0.08 0.15 0.18 0.00 -0.01 0.00 0.00 57.90 58.30 1irj n TYR 22 Cb 0.17 -1.07 0.82 0.00 -0.02 0.00 0.00 39.34 39.23 1irj n TYR 22 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1irj h SER 23 N 0.00 0.00 1.34 7.72 4.64 -1.06 -2.63 113.55 123.56 1irj h SER 23 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1irj h SER 23 Cb 2.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.24 1irj h SER 23 CO 0.05 0.00 -0.50 1.62 -0.87 0.00 0.00 176.83 177.13 1irj h VAL 24 N 0.00 0.00 -0.54 0.95 3.04 -1.62 -3.35 116.25 114.74 1irj h VAL 24 Ca 0.00 -0.84 0.02 0.00 -1.01 0.00 0.00 66.70 64.87 1irj h VAL 24 Cb 0.35 1.57 -0.03 0.00 -2.01 0.00 0.00 31.29 31.17 1irj h VAL 24 CO 0.00 0.00 0.35 0.11 -1.01 0.00 0.00 177.57 177.02 1irj h LYS 25 N 0.00 0.65 -4.12 4.17 1.57 -1.68 -3.45 116.57 113.72 1irj h LYS 25 Ca 0.00 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.60 1irj h LYS 25 Cb 0.92 -0.15 -0.18 0.00 0.08 0.00 0.00 32.23 32.91 1irj h LYS 25 CO 0.00 0.43 -0.68 -0.51 -0.57 0.00 0.00 179.45 178.12 1irj s LEU 26 N -9.59 2.36 0.00 2.94 1.43 -1.26 -5.12 118.68 109.44 1irj s LEU 26 Ca -0.09 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 1irj s LEU 26 Cb 0.18 0.18 0.00 0.00 0.03 0.00 0.00 46.19 46.58 1irj s LEU 26 CO 0.75 -0.48 0.00 0.61 0.23 0.00 0.00 176.35 177.46 1irj n GLY 27 N 0.73 1.52 3.67 -3.19 0.00 -1.26 -4.50 105.19 102.16 1irj n GLY 27 Ca -0.18 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 1irj n GLY 27 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1irj s HIS 28 N 0.00 1.78 0.60 1.61 5.65 -1.26 -4.89 115.29 118.78 1irj s HIS 28 Ca 0.00 -0.15 0.34 0.00 0.25 0.00 0.00 55.06 55.49 1irj s HIS 28 Cb 0.00 -4.16 1.98 0.00 -1.18 0.00 0.00 32.58 29.23 1irj s HIS 28 CO 0.00 -4.96 2.28 -1.35 -0.65 0.00 0.00 174.74 170.07 1irj h PRO 29 N 9.55 0.00 -0.00 2.88 0.11 -1.79 -2.76 132.00 139.98 1irj h PRO 29 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1irj h PRO 29 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1irj h PRO 29 CO 0.94 0.01 -0.34 -0.25 -0.21 0.00 0.00 178.00 178.14 1irj n ASP 30 N -3.62 0.79 -4.31 -2.05 8.00 -1.26 -3.67 116.55 110.43 1irj n ASP 30 Ca -0.03 -0.62 -0.16 0.00 0.71 0.00 0.00 54.79 54.69 1irj n ASP 30 Cb 0.09 0.17 -0.10 0.00 -0.02 0.00 0.00 41.12 41.25 1irj n ASP 30 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1irj s THR 31 N -2.70 1.20 -0.27 -3.53 -4.23 -1.04 -4.39 115.64 100.68 1irj s THR 31 Ca 0.19 -2.07 -0.09 0.00 -1.18 0.00 0.00 61.69 58.54 1irj s THR 31 Cb 0.19 -2.14 -0.04 0.00 1.34 0.00 0.00 72.50 71.85 1irj s THR 31 CO 0.59 -0.51 0.14 -0.76 -0.54 0.00 0.00 174.62 173.54 1irj s LEU 32 N -3.27 3.79 0.00 4.79 1.02 0.05 -4.54 118.68 120.52 1irj s LEU 32 Ca 0.24 -0.10 -0.02 0.00 0.02 0.00 0.00 54.13 54.27 1irj s LEU 32 Cb 0.04 -2.04 0.16 0.00 0.02 0.00 0.00 46.19 44.37 1irj s LEU 32 CO 0.06 -0.05 1.06 -0.46 0.02 0.00 0.00 176.35 176.98 1irj n ASN 33 N 5.00 1.23 -0.31 2.29 0.23 -1.26 0.31 115.26 122.75 1irj n ASN 33 Ca -0.15 -2.09 0.05 0.00 -0.53 0.00 0.00 54.58 51.86 1irj n ASN 33 Cb 0.52 -0.70 0.19 0.00 -2.08 0.00 0.00 39.78 37.71 1irj n ASN 33 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 1irj h GLN 34 N 0.00 0.80 -0.31 -3.83 4.15 -2.00 -1.31 115.11 112.61 1irj h GLN 34 Ca -0.35 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.00 1irj h GLN 34 Cb 1.24 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.74 1irj h GLN 34 CO 0.36 0.53 0.11 0.78 -1.93 0.00 0.00 178.83 178.68 1irj h GLY 35 N 0.82 0.51 1.37 2.39 0.00 -1.97 -1.34 103.07 104.85 1irj h GLY 35 Ca 0.43 -0.29 -0.09 0.00 0.00 0.00 0.00 47.33 47.38 1irj h GLY 35 CO -0.27 0.27 -0.10 0.83 0.00 0.00 0.00 176.54 177.28 1irj h GLU 36 N 0.35 0.75 -0.35 4.80 5.08 -1.78 -2.50 114.58 120.93 1irj h GLU 36 Ca 0.10 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 1irj h GLU 36 Cb 0.22 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1irj h GLU 36 CO -0.01 0.83 -0.03 0.35 -1.00 0.00 0.00 179.01 179.16 1irj h PHE 37 N 0.68 0.71 -0.93 4.33 3.57 -1.11 -1.31 116.94 122.88 1irj h PHE 37 Ca 0.12 -0.13 0.04 0.00 3.53 0.00 0.00 57.97 61.52 1irj h PHE 37 Cb 0.57 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.07 1irj h PHE 37 CO 0.03 0.76 0.60 0.87 -2.23 0.00 0.00 178.31 178.34 1irj h LYS 38 N 0.45 1.13 -0.40 1.11 1.57 -1.12 -0.10 116.57 119.20 1irj h LYS 38 Ca 0.10 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 1irj h LYS 38 Cb 0.50 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1irj h LYS 38 CO 0.02 0.75 0.00 1.49 -0.57 0.00 0.00 179.45 181.14 1irj h GLU 39 N 1.16 0.69 -0.01 3.15 4.57 -1.22 0.11 114.58 123.04 1irj h GLU 39 Ca 0.37 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1irj h GLU 39 Cb 0.01 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.53 1irj h GLU 39 CO -0.12 0.78 -0.01 1.25 -1.18 0.00 0.00 179.01 179.73 1irj h LEU 40 N 0.52 -0.04 -0.70 1.64 6.46 -0.56 -0.46 115.31 122.18 1irj h LEU 40 Ca 0.11 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.87 1irj h LEU 40 Cb 0.47 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.38 1irj h LEU 40 CO 0.02 -0.02 0.40 0.58 -0.62 0.00 0.00 178.44 178.80 1irj h VAL 41 N -0.02 1.21 -0.75 1.05 2.07 -0.93 0.30 116.25 119.18 1irj h VAL 41 Ca 0.01 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1irj h VAL 41 Cb 0.03 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 1irj h VAL 41 CO -0.02 0.22 0.38 -0.09 0.02 0.00 0.00 177.57 178.09 1irj h ARG 42 N 0.96 1.06 0.05 1.57 2.43 -0.45 -1.79 114.38 118.21 1irj h ARG 42 Ca 0.25 -0.14 -0.33 0.00 -0.81 0.00 0.00 59.98 58.94 1irj h ARG 42 Cb 0.00 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.32 1irj h ARG 42 CO -0.04 0.81 -1.89 1.63 -1.51 0.00 0.00 179.97 178.96 1irj n LYS 43 N -4.42 0.69 0.00 0.20 5.02 -0.21 -4.52 118.16 114.92 1irj n LYS 43 Ca 0.07 0.26 0.03 0.00 -2.02 0.00 0.00 58.31 56.65 1irj n LYS 43 Cb 0.12 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.39 1irj n LYS 43 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1irj n ASP 44 N -3.23 1.00 -1.71 4.39 8.00 0.11 -4.57 116.55 120.54 1irj n ASP 44 Ca -0.25 -1.00 -0.12 0.00 0.71 0.00 0.00 54.79 54.13 1irj n ASP 44 Cb 1.05 0.45 0.07 0.00 -0.02 0.00 0.00 41.12 42.68 1irj n ASP 44 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1irj n LEU 45 N -0.30 3.73 0.26 0.64 4.77 -0.68 -4.82 117.00 120.60 1irj n LEU 45 Ca 0.03 -4.17 0.08 0.00 -0.03 0.00 0.00 56.01 51.92 1irj n LEU 45 Cb 0.14 -0.28 0.65 0.00 -2.33 0.00 0.00 43.42 41.61 1irj n LEU 45 CO 0.08 1.71 1.06 1.56 -1.33 0.00 0.00 177.39 180.48 1irj h GLN 46 N 1.85 0.00 0.00 3.23 4.20 -1.79 -1.30 115.11 121.31 1irj h GLN 46 Ca 0.18 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.54 1irj h GLN 46 Cb 1.38 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.11 1irj h GLN 46 CO 0.45 0.01 -1.92 0.09 -0.67 0.00 0.00 178.83 176.79 1irj n ASN 47 N -4.48 1.91 0.25 1.46 3.02 -1.26 -2.66 115.26 113.51 1irj n ASN 47 Ca -0.03 0.38 0.09 0.00 -0.03 0.00 0.00 54.58 54.99 1irj n ASN 47 Cb 0.10 -0.89 0.65 0.00 -0.61 0.00 0.00 39.78 39.03 1irj n ASN 47 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 1irj h PHE 48 N -1.00 0.00 -0.55 3.10 0.05 -1.92 -3.02 116.94 113.61 1irj h PHE 48 Ca -0.53 0.00 -0.37 0.00 3.82 0.00 0.00 57.97 60.89 1irj h PHE 48 Cb 1.46 0.00 -0.40 0.00 2.00 0.00 0.00 35.95 39.01 1irj h PHE 48 CO -0.00 0.07 -0.97 1.28 -0.18 0.00 0.00 178.31 178.50 1irj n LEU 49 N -4.26 3.03 0.05 1.54 4.77 -0.49 -4.90 117.00 116.72 1irj n LEU 49 Ca -0.03 -3.76 -0.11 0.00 -0.03 0.00 0.00 56.01 52.08 1irj n LEU 49 Cb 0.15 0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.29 1irj n LEU 49 CO 0.33 1.49 0.68 0.50 -1.33 0.00 0.00 177.39 179.06 1irj h LYS 50 N 2.34 -0.38 -0.15 3.23 3.64 -1.37 0.10 116.57 123.98 1irj h LYS 50 Ca 0.08 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1irj h LYS 50 Cb 1.40 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.30 1irj h LYS 50 CO 0.42 -0.26 0.02 -0.22 -2.27 0.00 0.00 179.45 177.14 1irj h LYS 51 N -0.40 0.26 -0.54 1.90 1.63 -1.87 -3.06 116.57 114.49 1irj h LYS 51 Ca 0.07 -0.08 0.03 0.00 -0.85 0.00 0.00 60.65 59.82 1irj h LYS 51 Cb 0.50 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.07 1irj h LYS 51 CO -0.26 0.46 0.36 0.93 -3.45 0.00 0.00 179.45 177.49 1irj h GLU 52 N 0.03 0.63 0.00 1.90 3.07 -1.89 -0.84 114.58 117.47 1irj h GLU 52 Ca 0.05 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1irj h GLU 52 Cb 0.33 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 1irj h GLU 52 CO 0.00 0.41 0.00 -0.91 -1.40 0.00 0.00 179.01 177.12 1irj h ASN 53 N 0.65 0.00 0.70 1.42 2.35 -0.69 -2.05 115.58 117.95 1irj h ASN 53 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1irj h ASN 53 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1irj h ASN 53 CO -0.05 0.00 -0.05 0.29 -1.65 0.00 0.00 177.43 175.96 1irj n LYS 54 N -2.35 0.27 -3.69 0.81 5.02 -0.32 -4.51 118.16 113.38 1irj n LYS 54 Ca -0.00 -0.03 -0.30 0.00 -2.02 0.00 0.00 58.31 55.96 1irj n LYS 54 Cb 0.12 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.48 1irj n LYS 54 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1irj s ASN 55 N -2.75 3.89 0.40 4.39 3.84 -0.77 -5.00 114.94 118.93 1irj s ASN 55 Ca 0.22 -1.53 0.17 0.00 0.21 0.00 0.00 52.86 51.93 1irj s ASN 55 Cb 0.20 -0.74 1.07 0.00 -0.55 0.00 0.00 41.25 41.23 1irj s ASN 55 CO 0.51 -0.42 1.79 -0.08 -2.79 0.00 0.00 177.10 176.11 1irj h GLU 56 N 8.17 0.42 -0.01 0.43 4.81 -1.79 0.14 114.58 126.74 1irj h GLU 56 Ca -0.15 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.01 1irj h GLU 56 Cb 1.02 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 1irj h GLU 56 CO 0.46 0.27 -0.19 0.87 -0.73 0.00 0.00 179.01 179.70 1irj h LYS 57 N 0.43 0.02 -0.19 1.92 1.57 -1.94 -1.02 116.57 117.36 1irj h LYS 57 Ca 0.56 -0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 59.15 1irj h LYS 57 Cb 1.38 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.69 1irj h LYS 57 CO -0.27 0.21 -0.61 0.28 -0.57 0.00 0.00 179.45 178.48 1irj h VAL 58 N 0.02 1.30 -0.82 0.50 2.07 -0.99 -1.88 116.25 116.45 1irj h VAL 58 Ca 0.00 -1.83 -0.01 0.00 0.82 0.00 0.00 66.70 65.68 1irj h VAL 58 Cb 0.34 1.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 1irj h VAL 58 CO 0.02 0.58 0.45 0.40 0.02 0.00 0.00 177.57 179.05 1irj h ILE 59 N 0.46 1.24 -0.22 4.57 1.08 -1.29 -0.11 117.51 123.24 1irj h ILE 59 Ca -0.02 -0.59 -0.05 0.00 -0.39 0.00 0.00 64.86 63.80 1irj h ILE 59 Cb 1.24 0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 35.11 1irj h ILE 59 CO 0.13 0.27 -0.10 -0.33 -0.69 0.00 0.00 178.15 177.43 1irj h GLU 60 N 1.14 0.35 -0.34 2.37 5.08 -1.08 -0.86 114.58 121.23 1irj h GLU 60 Ca 0.29 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.47 1irj h GLU 60 Cb 0.02 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1irj h GLU 60 CO -0.05 0.46 -0.19 1.25 -1.00 0.00 0.00 179.01 179.48 1irj h HIS 61 N 0.33 0.84 -0.68 4.33 2.76 -0.41 -1.36 115.15 120.96 1irj h HIS 61 Ca 0.07 -0.22 0.03 0.00 -2.20 0.00 0.00 60.37 58.05 1irj h HIS 61 Cb 0.38 -0.19 -0.04 0.00 1.55 0.00 0.00 27.41 29.11 1irj h HIS 61 CO 0.01 0.94 0.42 0.82 -1.30 0.00 0.00 177.93 178.82 1irj h ILE 62 N 0.50 1.08 0.30 6.26 2.04 -0.53 0.81 117.51 127.96 1irj h ILE 62 Ca 0.07 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1irj h ILE 62 Cb 0.74 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1irj h ILE 62 CO 0.05 0.15 -0.32 -0.03 0.00 0.00 0.00 178.15 178.01 1irj h MET 63 N 0.82 -0.63 -0.79 2.37 4.05 -0.91 -0.50 114.93 119.34 1irj h MET 63 Ca 0.28 0.04 0.07 0.00 -0.28 0.00 0.00 59.70 59.81 1irj h MET 63 Cb 0.03 0.14 -0.06 0.00 -0.80 0.00 0.00 31.60 30.91 1irj h MET 63 CO -0.11 -0.42 0.47 1.49 0.23 0.00 0.00 176.91 178.57 1irj h GLU 64 N -0.65 0.82 -0.49 0.39 4.57 -0.87 -0.51 114.58 117.83 1irj h GLU 64 Ca -0.01 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.07 1irj h GLU 64 Cb 0.60 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 1irj h GLU 64 CO -0.07 0.54 0.09 0.22 -1.18 0.00 0.00 179.01 178.60 1irj h ASP 65 N 0.84 0.71 1.71 1.04 3.58 -0.46 -2.58 116.42 121.27 1irj h ASP 65 Ca 0.35 -0.13 -0.06 0.00 0.42 0.00 0.00 57.03 57.61 1irj h ASP 65 Cb 0.21 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 1irj h ASP 65 CO -0.19 0.73 -0.29 -0.07 -2.88 0.00 0.00 179.24 176.54 1irj h LEU 66 N 0.73 0.00 -7.52 2.28 3.38 -0.33 -3.39 115.31 110.46 1irj h LEU 66 Ca 0.16 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.47 1irj h LEU 66 Cb 0.32 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.00 1irj h LEU 66 CO 0.00 0.29 2.30 -0.67 0.09 0.00 0.00 178.44 180.45 1irj n ASP 67 N -3.17 4.59 0.26 -0.43 4.64 -0.27 -4.75 116.55 117.42 1irj n ASP 67 Ca 0.03 -2.89 0.13 0.00 -1.38 0.00 0.00 54.79 50.68 1irj n ASP 67 Cb 0.65 -1.72 0.70 0.00 -1.04 0.00 0.00 41.12 39.71 1irj n ASP 67 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 1irj h THR 68 N 5.32 0.47 -0.35 5.18 1.35 -1.79 -1.97 112.91 121.11 1irj h THR 68 Ca 0.45 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1irj h THR 68 Cb 0.83 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 1irj h THR 68 CO 1.53 0.12 0.00 -0.46 -0.25 0.00 0.00 175.52 176.46 1irj n ASN 69 N -3.49 3.22 -4.13 5.36 6.94 -1.26 -4.97 115.26 116.92 1irj n ASN 69 Ca -0.01 -1.96 -0.33 0.00 -0.02 0.00 0.00 54.58 52.25 1irj n ASN 69 Cb 0.27 -0.22 -0.02 0.00 -2.36 0.00 0.00 39.78 37.45 1irj n ASN 69 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1irj n ALA 70 N 1.34 -1.44 -0.76 -2.53 0.00 -0.74 -4.86 120.51 111.52 1irj n ALA 70 Ca 0.19 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.66 1irj n ALA 70 Cb 0.57 -3.11 0.32 0.00 0.00 0.00 0.00 19.45 17.23 1irj n ALA 70 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1irj n ASP 71 N -2.75 4.56 -1.95 0.00 5.75 -1.26 -4.94 116.55 115.95 1irj n ASP 71 Ca -0.02 -2.70 -0.20 0.00 -0.01 0.00 0.00 54.79 51.86 1irj n ASP 71 Cb 0.54 -0.56 -0.04 0.00 -1.03 0.00 0.00 41.12 40.03 1irj n ASP 71 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1irj n LYS 72 N 0.43 -1.51 -3.93 0.11 5.02 -1.26 -4.98 118.16 112.03 1irj n LYS 72 Ca 0.23 1.08 -0.10 0.00 -2.02 0.00 0.00 58.31 57.50 1irj n LYS 72 Cb 0.92 -5.58 -0.12 0.00 -0.02 0.00 0.00 35.03 30.24 1irj n LYS 72 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1irj s GLN 73 N -4.42 0.24 -0.24 1.97 -1.52 -1.26 -4.35 119.66 110.08 1irj s GLN 73 Ca 0.00 -0.39 -0.06 0.00 -1.95 0.00 0.00 55.36 52.95 1irj s GLN 73 Cb 0.00 0.09 -0.02 0.00 -0.22 0.00 0.00 33.01 32.86 1irj s GLN 73 CO 0.00 -0.04 0.04 -0.51 -0.25 0.00 0.00 175.29 174.53 1irj s LEU 74 N -1.00 3.32 0.79 2.90 1.43 0.15 -4.81 118.68 121.46 1irj s LEU 74 Ca -0.11 -0.24 -0.12 0.00 -1.03 0.00 0.00 54.13 52.63 1irj s LEU 74 Cb -0.07 -1.88 0.07 0.00 0.03 0.00 0.00 46.19 44.35 1irj s LEU 74 CO -0.00 -0.02 1.16 -0.94 0.23 0.00 0.00 176.35 176.78 1irj s SER 75 N 1.52 4.64 0.22 2.29 1.04 -1.26 -0.77 113.70 121.37 1irj s SER 75 Ca 0.06 0.85 -0.08 0.00 0.48 0.00 0.00 55.95 57.25 1irj s SER 75 Cb -0.15 -1.39 0.25 0.00 0.10 0.00 0.00 66.02 64.83 1irj s SER 75 CO 0.02 -1.83 1.84 0.15 0.98 0.00 0.00 173.24 174.40 1irj h PHE 76 N -1.00 0.85 -0.92 5.02 3.57 -1.99 -0.58 116.94 121.88 1irj h PHE 76 Ca -0.46 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.10 1irj h PHE 76 Cb 1.32 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 39.73 1irj h PHE 76 CO 0.34 0.45 0.61 1.49 -2.23 0.00 0.00 178.31 178.97 1irj h GLU 77 N 0.86 1.14 -0.01 1.11 4.81 -1.97 -1.59 114.58 118.94 1irj h GLU 77 Ca 0.32 -0.07 -0.25 0.00 -0.13 0.00 0.00 59.36 59.23 1irj h GLU 77 Cb 0.11 -0.26 0.01 0.00 0.63 0.00 0.00 28.75 29.25 1irj h GLU 77 CO -0.15 0.75 -0.99 0.93 -0.73 0.00 0.00 179.01 178.82 1irj h GLU 78 N 1.17 0.60 -0.03 1.92 5.08 -1.72 -3.33 114.58 118.27 1irj h GLU 78 Ca 0.36 -0.64 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1irj h GLU 78 Cb -0.01 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1irj h GLU 78 CO -0.11 1.24 0.02 0.35 -1.00 0.00 0.00 179.01 179.51 1irj h PHE 79 N 0.34 0.04 -0.08 4.33 3.57 -0.64 -2.90 116.94 121.60 1irj h PHE 79 Ca -0.11 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.41 1irj h PHE 79 Cb 1.64 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 40.36 1irj h PHE 79 CO 0.09 0.09 0.12 -0.84 -2.23 0.00 0.00 178.31 175.53 1irj h ILE 80 N -0.02 0.34 0.00 1.41 3.07 -1.42 -0.07 117.51 120.82 1irj h ILE 80 Ca 0.01 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.42 1irj h ILE 80 Cb 0.06 0.90 0.00 0.00 -0.27 0.00 0.00 36.82 37.50 1irj h ILE 80 CO -0.00 0.00 0.00 0.24 -1.05 0.00 0.00 178.15 177.34 1irj h MET 81 N 0.00 0.00 -0.23 0.16 2.86 -1.62 -0.14 114.93 115.96 1irj h MET 81 Ca 0.04 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1irj h MET 81 Cb 0.28 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1irj h MET 81 CO -0.00 0.00 0.13 1.25 1.06 0.00 0.00 176.91 179.35 1irj h LEU 82 N 0.00 0.27 -1.72 1.22 5.85 -1.17 -1.64 115.31 118.12 1irj h LEU 82 Ca 0.00 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.76 1irj h LEU 82 Cb 0.01 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1irj h LEU 82 CO 0.00 0.21 0.29 0.24 -0.34 0.00 0.00 178.44 178.84 1irj h MET 83 N 0.31 0.34 0.00 1.25 2.86 -1.23 -0.74 114.93 117.73 1irj h MET 83 Ca 0.08 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1irj h MET 83 Cb -0.00 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.58 1irj h MET 83 CO -0.01 0.23 -0.01 0.00 1.06 0.00 0.00 176.91 178.17 1irj n ALA 84 N -2.52 2.33 0.58 6.32 0.00 -0.62 -3.14 120.51 123.46 1irj n ALA 84 Ca 0.05 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.54 1irj n ALA 84 Cb 0.24 -1.46 0.22 0.00 0.00 0.00 0.00 19.45 18.44 1irj n ALA 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1irj n ARG 85 N -1.79 0.29 0.00 0.00 5.12 -0.29 -5.16 116.66 114.83 1irj n ARG 85 Ca 0.06 0.11 0.13 0.00 -1.93 0.00 0.00 57.85 56.23 1irj n ARG 85 Cb 0.37 -1.71 0.76 0.00 -1.16 0.00 0.00 32.46 30.72 1irj n ARG 85 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98