#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d8j s LEU 2 N 0.00 3.43 -0.18 0.00 2.96 -1.26 -4.58 118.68 119.05 1d8j s LEU 2 Ca 0.00 -1.26 0.13 0.00 -0.22 0.00 0.00 54.13 52.79 1d8j s LEU 2 Cb 0.00 -2.57 0.32 0.00 0.50 0.00 0.00 46.19 44.45 1d8j s LEU 2 CO 0.00 -1.65 1.26 -1.54 -1.32 0.00 0.00 176.35 173.10 1d8j n SER 3 N 9.37 -0.37 0.00 3.68 3.41 -1.26 -5.14 113.62 123.31 1d8j n SER 3 Ca 0.30 -2.09 0.00 0.00 -0.26 0.00 0.00 58.87 56.82 1d8j n SER 3 Cb 0.50 0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 1d8j n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1d8j n GLY 4 N -0.65 0.94 3.74 5.00 0.00 -1.26 -4.63 105.19 108.32 1d8j n GLY 4 Ca -0.12 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 1d8j n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1d8j s SER 5 N -4.00 7.57 -0.01 1.61 1.04 -1.26 -5.00 113.70 113.65 1d8j s SER 5 Ca 0.00 1.87 -0.10 0.00 0.48 0.00 0.00 55.95 58.20 1d8j s SER 5 Cb 0.00 -2.60 -0.05 0.00 0.10 0.00 0.00 66.02 63.47 1d8j s SER 5 CO 0.00 0.05 0.62 -1.28 0.98 0.00 0.00 173.24 173.61 1d8j h SER 6 N 4.86 -0.30 0.00 7.02 0.87 -1.99 -3.46 113.55 120.55 1d8j h SER 6 Ca -0.44 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1d8j h SER 6 Cb 1.21 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1d8j h SER 6 CO 0.70 -0.07 0.00 0.61 -0.53 0.00 0.00 176.83 177.54 1d8j n GLY 7 N 0.35 1.34 3.52 5.77 0.00 -1.26 -4.93 105.19 109.97 1d8j n GLY 7 Ca -0.04 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.43 1d8j n GLY 7 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1d8j n TYR 8 N 0.00 1.72 0.00 1.61 9.36 -1.26 -0.36 117.16 128.23 1d8j n TYR 8 Ca 0.00 0.43 0.00 0.00 3.32 0.00 0.00 57.90 61.65 1d8j n TYR 8 Cb 0.00 -2.48 0.00 0.00 -0.63 0.00 0.00 39.34 36.23 1d8j n TYR 8 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1d8j n LYS 9 N 7.11 0.00 -0.34 2.98 5.02 -1.26 -4.48 118.16 127.19 1d8j n LYS 9 Ca 0.38 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.76 1d8j n LYS 9 Cb 0.16 0.00 0.28 0.00 -0.02 0.00 0.00 35.03 35.45 1d8j n LYS 9 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1d8j h PHE 10 N 0.00 1.07 0.02 2.13 0.04 -1.94 0.99 116.94 119.24 1d8j h PHE 10 Ca 0.00 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 1d8j h PHE 10 Cb 0.00 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 37.81 1d8j h PHE 10 CO 0.00 0.38 -0.01 0.78 -0.60 0.00 0.00 178.31 178.87 1d8j h GLY 11 N 0.89 -0.03 0.88 -1.45 0.00 -0.92 0.66 103.07 103.11 1d8j h GLY 11 Ca 0.50 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.82 1d8j h GLY 11 CO -0.27 -0.01 0.07 -2.08 0.00 0.00 0.00 176.54 174.25 1d8j h VAL 12 N -0.25 1.20 -0.35 4.60 2.07 -1.47 -0.30 116.25 121.75 1d8j h VAL 12 Ca -0.00 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 1d8j h VAL 12 Cb 0.24 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1d8j h VAL 12 CO 0.00 0.21 0.20 0.25 0.02 0.00 0.00 177.57 178.26 1d8j h LEU 13 N 0.23 0.43 -0.77 2.57 5.85 -0.83 -0.97 115.31 121.82 1d8j h LEU 13 Ca 0.08 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.74 1d8j h LEU 13 Cb 0.25 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1d8j h LEU 13 CO -0.00 0.37 0.50 0.00 -0.34 0.00 0.00 178.44 178.97 1d8j h ALA 14 N 1.07 0.98 0.09 1.25 0.00 -0.73 -0.98 119.26 120.94 1d8j h ALA 14 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1d8j h ALA 14 Cb 0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1d8j h ALA 14 CO -0.02 0.37 -0.10 0.87 0.00 0.00 0.00 179.25 180.37 1d8j h LYS 15 N 1.02 -0.20 -0.29 0.00 1.79 -0.57 0.54 116.57 118.86 1d8j h LYS 15 Ca 0.28 0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.82 1d8j h LYS 15 Cb -0.10 0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 30.55 1d8j h LYS 15 CO -0.07 -0.14 -0.00 0.82 -1.08 0.00 0.00 179.45 178.98 1d8j h ILE 16 N -0.21 0.79 -0.45 1.86 2.04 -0.80 0.16 117.51 120.90 1d8j h ILE 16 Ca 0.01 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 65.87 1d8j h ILE 16 Cb 0.21 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 1d8j h ILE 16 CO -0.03 0.01 0.24 0.58 0.00 0.00 0.00 178.15 178.95 1d8j h VAL 17 N 0.08 0.99 0.05 1.67 2.07 -0.94 -0.20 116.25 119.97 1d8j h VAL 17 Ca 0.14 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1d8j h VAL 17 Cb 0.18 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1d8j h VAL 17 CO -0.24 0.09 -0.02 -1.13 0.02 0.00 0.00 177.57 176.29 1d8j h ASN 18 N 0.48 -0.05 -0.37 0.57 -0.73 -0.21 -0.05 115.58 115.21 1d8j h ASN 18 Ca 0.19 -0.15 -0.00 0.00 1.87 0.00 0.00 56.30 58.21 1d8j h ASN 18 Cb 0.07 0.01 -0.02 0.00 0.27 0.00 0.00 38.32 38.66 1d8j h ASN 18 CO -0.12 0.11 0.22 0.22 -0.37 0.00 0.00 177.43 177.50 1d8j h TYR 19 N -0.22 0.48 -0.21 0.67 3.20 -0.53 -0.01 116.97 120.35 1d8j h TYR 19 Ca -0.01 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1d8j h TYR 19 Cb 0.20 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1d8j h TYR 19 CO -0.02 0.34 0.09 0.52 -1.64 0.00 0.00 178.16 177.45 1d8j h MET 20 N 0.48 0.32 0.01 1.82 2.86 -1.00 -2.20 114.93 117.22 1d8j h MET 20 Ca 0.13 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.74 1d8j h MET 20 Cb -0.00 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 1d8j h MET 20 CO -0.03 0.37 -0.14 -0.22 1.06 0.00 0.00 176.91 177.95 1d8j h LYS 21 N 0.20 -0.23 -0.82 1.72 3.64 -0.72 0.18 116.57 120.54 1d8j h LYS 21 Ca 0.07 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1d8j h LYS 21 Cb 0.16 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.98 1d8j h LYS 21 CO -0.01 -0.15 0.51 1.15 -2.27 0.00 0.00 179.45 178.68 1d8j h THR 22 N -0.24 1.05 -0.47 1.00 2.02 -0.95 0.79 112.91 116.12 1d8j h THR 22 Ca 0.04 -0.32 -0.13 0.00 0.77 0.00 0.00 66.41 66.77 1d8j h THR 22 Cb 0.29 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 1d8j h THR 22 CO -0.13 0.17 -0.20 0.03 0.37 0.00 0.00 175.52 175.77 1d8j h ARG 23 N 0.94 0.96 -0.40 6.66 3.08 -0.98 -2.54 114.38 122.11 1d8j h ARG 23 Ca 0.35 -0.41 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 1d8j h ARG 23 Cb 0.13 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1d8j h ARG 23 CO -0.16 1.08 0.14 1.25 -1.07 0.00 0.00 179.97 181.20 1d8j h HIS 24 N 0.81 0.56 -0.15 3.04 2.76 0.13 -0.48 115.15 121.82 1d8j h HIS 24 Ca 0.11 -0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.22 1d8j h HIS 24 Cb 0.77 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 29.55 1d8j h HIS 24 CO 0.05 0.46 -0.04 1.96 -1.30 0.00 0.00 177.93 179.07 1d8j h GLN 25 N 0.56 0.29 -0.19 5.26 4.20 -0.56 -3.26 115.11 121.41 1d8j h GLN 25 Ca 0.14 -0.11 -0.14 0.00 0.06 0.00 0.00 58.65 58.59 1d8j h GLN 25 Cb 0.15 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1d8j h GLN 25 CO -0.01 0.57 -0.48 0.07 -0.67 0.00 0.00 178.83 178.31 1d8j h ARG 26 N -0.01 0.50 0.00 1.46 0.11 -1.25 -3.47 114.38 111.72 1d8j h ARG 26 Ca 0.04 -0.29 0.00 0.00 0.10 0.00 0.00 59.98 59.83 1d8j h ARG 26 Cb 0.47 0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.57 1d8j h ARG 26 CO 0.02 0.88 0.00 0.41 0.10 0.00 0.00 179.97 181.37 1d8j n GLY 27 N 0.10 0.50 3.43 0.08 0.00 -0.89 -5.06 105.19 103.36 1d8j n GLY 27 Ca -0.02 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1d8j n GLY 27 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1d8j n ASP 28 N 0.00 3.74 0.03 1.61 -0.08 -0.24 -4.59 116.55 117.02 1d8j n ASP 28 Ca 0.00 -2.79 0.11 0.00 -1.51 0.00 0.00 54.79 50.60 1d8j n ASP 28 Cb 0.00 -1.65 0.05 0.00 2.34 0.00 0.00 41.12 41.86 1d8j n ASP 28 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1d8j n THR 29 N 6.78 0.18 -1.84 5.18 -2.24 -1.26 -2.64 114.28 118.44 1d8j n THR 29 Ca 0.48 -0.23 -0.37 0.00 -2.27 0.00 0.00 64.05 61.66 1d8j n THR 29 Cb 0.45 0.19 0.05 0.00 -2.10 0.00 0.00 70.33 68.92 1d8j n THR 29 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1d8j s HIS 30 N -3.18 2.20 0.83 4.78 -3.43 -1.26 -4.77 115.29 110.46 1d8j s HIS 30 Ca 0.05 1.48 -0.11 0.00 -0.80 0.00 0.00 55.06 55.68 1d8j s HIS 30 Cb 0.14 -3.64 0.10 0.00 -1.43 0.00 0.00 32.58 27.76 1d8j s HIS 30 CO 0.79 -2.69 1.15 -2.14 -2.00 0.00 0.00 174.74 169.84 1d8j s PRO 31 N -3.32 1.58 0.01 -0.38 0.02 -1.26 -4.93 135.00 126.71 1d8j s PRO 31 Ca 0.80 1.53 0.01 0.00 0.02 0.00 0.00 61.00 63.36 1d8j s PRO 31 Cb -0.35 -1.79 -0.01 0.00 0.02 0.00 0.00 34.50 32.37 1d8j s PRO 31 CO 0.38 -2.21 -0.03 -0.51 -0.33 0.00 0.00 177.00 174.30 1d8j s LEU 32 N -6.07 2.06 1.11 -5.54 1.43 -0.11 -4.88 118.68 106.67 1d8j s LEU 32 Ca 0.68 -0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 53.50 1d8j s LEU 32 Cb -0.23 -0.11 0.25 0.00 0.03 0.00 0.00 46.19 46.13 1d8j s LEU 32 CO 0.54 -0.03 1.05 0.42 0.23 0.00 0.00 176.35 178.56 1d8j s THR 33 N -0.38 2.06 0.11 5.49 -4.23 -1.26 -0.83 115.64 116.60 1d8j s THR 33 Ca -0.02 0.02 -0.22 0.00 -1.18 0.00 0.00 61.69 60.29 1d8j s THR 33 Cb -0.03 -2.13 -0.10 0.00 1.34 0.00 0.00 72.50 71.59 1d8j s THR 33 CO -0.00 -0.03 1.72 0.25 -0.54 0.00 0.00 174.62 176.02 1d8j h LEU 34 N -2.43 -0.12 -0.13 4.79 7.12 -1.96 -1.20 115.31 121.39 1d8j h LEU 34 Ca -0.58 0.03 0.04 0.00 0.13 0.00 0.00 57.88 57.50 1d8j h LEU 34 Cb 1.32 0.06 -0.05 0.00 -0.53 0.00 0.00 40.66 41.47 1d8j h LEU 34 CO 0.50 -0.05 -0.15 0.44 -0.13 0.00 0.00 178.44 179.04 1d8j h ASP 35 N -0.04 -0.48 -0.56 1.25 5.19 -1.99 0.04 116.42 119.84 1d8j h ASP 35 Ca 0.04 0.09 0.06 0.00 -0.62 0.00 0.00 57.03 56.60 1d8j h ASP 35 Cb 0.09 0.23 -0.05 0.00 0.18 0.00 0.00 39.33 39.78 1d8j h ASP 35 CO -0.09 -0.20 0.26 -0.33 -3.12 0.00 0.00 179.24 175.77 1d8j h GLU 36 N -0.19 0.48 -0.33 3.56 5.08 -1.87 -0.27 114.58 121.04 1d8j h GLU 36 Ca 0.09 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1d8j h GLU 36 Cb 0.33 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1d8j h GLU 36 CO -0.24 0.32 0.20 0.82 -1.00 0.00 0.00 179.01 179.10 1d8j h ILE 37 N 0.49 1.05 0.61 3.13 2.04 -0.57 -2.70 117.51 121.57 1d8j h ILE 37 Ca 0.26 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.95 1d8j h ILE 37 Cb 0.22 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1d8j h ILE 37 CO -0.21 0.07 -0.31 -0.07 0.00 0.00 0.00 178.15 177.64 1d8j h LEU 38 N 0.41 -0.74 -0.98 1.44 3.38 -0.35 -2.96 115.31 115.51 1d8j h LEU 38 Ca 0.13 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.24 1d8j h LEU 38 Cb -0.01 0.20 -0.13 0.00 0.09 0.00 0.00 40.66 40.80 1d8j h LEU 38 CO -0.05 -0.51 -0.53 -0.78 0.09 0.00 0.00 178.44 176.66 1d8j h ASP 39 N -0.84 -1.93 -0.61 -0.43 3.58 -1.03 0.38 116.42 115.54 1d8j h ASP 39 Ca -0.08 0.32 0.07 0.00 0.42 0.00 0.00 57.03 57.76 1d8j h ASP 39 Cb 0.65 0.89 -0.04 0.00 1.72 0.00 0.00 39.33 42.55 1d8j h ASP 39 CO 0.13 -0.25 0.41 -0.33 -2.88 0.00 0.00 179.24 176.31 1d8j h GLU 40 N -0.01 0.52 -0.95 0.28 5.08 -1.55 0.61 114.58 118.56 1d8j h GLU 40 Ca 0.22 -0.03 -0.44 0.00 -1.00 0.00 0.00 59.36 58.10 1d8j h GLU 40 Cb 0.47 -0.12 -0.26 0.00 0.50 0.00 0.00 28.75 29.34 1d8j h GLU 40 CO -0.95 0.35 0.56 2.41 -1.00 0.00 0.00 179.01 180.38 1d8j n THR 41 N -4.48 3.08 0.00 1.13 -1.04 0.12 -5.02 114.28 108.07 1d8j n THR 41 Ca 0.09 -1.79 0.00 0.00 -2.04 0.00 0.00 64.05 60.31 1d8j n THR 41 Cb 0.28 -0.46 0.00 0.00 -1.82 0.00 0.00 70.33 68.33 1d8j n THR 41 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1d8j n GLN 42 N -0.88 0.00 0.00 -2.82 6.02 0.20 -4.87 117.38 115.03 1d8j n GLN 42 Ca 0.54 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.53 1d8j n GLN 42 Cb 1.58 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.84 1d8j n GLN 42 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1d8j n HIS 43 N 1.68 0.00 0.00 1.08 8.25 -1.26 -3.22 115.22 121.75 1d8j n HIS 43 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1d8j n HIS 43 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1d8j n HIS 43 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1d8j n LEU 44 N 0.00 0.00 -0.05 2.41 0.00 -1.26 -4.14 117.00 113.96 1d8j n LEU 44 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 56.01 55.99 1d8j n LEU 44 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.41 1d8j n LEU 44 CO 0.00 0.00 -0.18 -0.78 0.00 0.00 0.00 177.39 176.43 1d8j h ASP 45 N 0.00 0.00 0.00 1.96 3.58 -1.98 -3.47 116.42 116.51 1d8j h ASP 45 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1d8j h ASP 45 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1d8j h ASP 45 CO 0.00 0.53 0.00 -0.38 -2.88 0.00 0.00 179.24 176.51 1d8j n ILE 46 N -4.16 0.00 0.00 2.25 5.41 -1.26 -4.39 119.36 117.21 1d8j n ILE 46 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.71 1d8j n ILE 46 Cb 0.14 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.07 1d8j n ILE 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1d8j n GLY 47 N 0.00 3.45 0.32 7.39 0.00 -1.26 -4.95 105.19 110.14 1d8j n GLY 47 Ca 0.00 -0.25 0.20 0.00 0.00 0.00 0.00 46.02 45.97 1d8j n GLY 47 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1d8j h LEU 48 N 0.00 0.19 -0.28 0.99 5.85 -1.99 0.13 115.31 120.20 1d8j h LEU 48 Ca 0.00 0.21 0.07 0.00 0.84 0.00 0.00 57.88 59.00 1d8j h LEU 48 Cb 0.00 0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.20 1d8j h LEU 48 CO 0.00 -0.21 -0.22 0.50 -0.34 0.00 0.00 178.44 178.17 1d8j h LYS 49 N 0.20 -0.20 0.46 1.25 3.64 -1.95 0.65 116.57 120.63 1d8j h LYS 49 Ca 0.67 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 60.04 1d8j h LYS 49 Cb 1.50 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.37 1d8j h LYS 49 CO -0.68 -0.13 -0.22 1.96 -2.27 0.00 0.00 179.45 178.10 1d8j h GLN 50 N -0.20 -0.60 -0.97 1.90 1.08 -1.15 -1.05 115.11 114.11 1d8j h GLN 50 Ca 0.15 0.04 0.32 0.00 -1.45 0.00 0.00 58.65 57.71 1d8j h GLN 50 Cb 0.43 0.14 -0.17 0.00 -0.05 0.00 0.00 27.48 27.83 1d8j h GLN 50 CO -0.40 -0.40 0.33 -0.22 -0.95 0.00 0.00 178.83 177.19 1d8j h LYS 51 N -1.00 0.10 0.21 1.46 3.64 -1.27 0.22 116.57 119.93 1d8j h LYS 51 Ca -0.06 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1d8j h LYS 51 Cb 0.48 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1d8j h LYS 51 CO 0.10 0.07 -0.10 0.37 -2.27 0.00 0.00 179.45 177.62 1d8j h GLN 52 N 0.10 -0.27 -0.72 1.90 4.15 -0.88 -2.97 115.11 116.42 1d8j h GLN 52 Ca 0.69 0.02 0.13 0.00 0.77 0.00 0.00 58.65 60.26 1d8j h GLN 52 Cb 1.61 0.06 -0.09 0.00 0.21 0.00 0.00 27.48 29.27 1d8j h GLN 52 CO -0.76 0.12 0.27 2.35 -1.93 0.00 0.00 178.83 178.88 1d8j h TRP 53 N -0.75 0.47 -0.51 3.99 7.01 0.49 0.11 115.95 126.76 1d8j h TRP 53 Ca -0.03 0.04 0.05 0.00 2.11 0.00 0.00 58.89 61.05 1d8j h TRP 53 Cb 0.50 -0.10 -0.05 0.00 -2.10 0.00 0.00 29.16 27.42 1d8j h TRP 53 CO 0.06 0.07 0.26 -0.07 -2.79 0.00 0.00 178.44 175.96 1d8j h LEU 54 N 0.43 0.36 -0.19 0.65 3.38 -0.72 0.33 115.31 119.54 1d8j h LEU 54 Ca 0.39 0.03 -0.22 0.00 0.09 0.00 0.00 57.88 58.16 1d8j h LEU 54 Cb 0.56 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.28 1d8j h LEU 54 CO -0.39 0.25 -0.87 -0.03 0.09 0.00 0.00 178.44 177.49 1d8j h MET 55 N 0.50 0.56 -0.35 1.13 4.05 -1.03 -0.75 114.93 119.05 1d8j h MET 55 Ca 0.23 -0.53 0.00 0.00 -0.28 0.00 0.00 59.70 59.12 1d8j h MET 55 Cb 0.14 0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.08 1d8j h MET 55 CO -0.16 1.15 0.00 -2.37 0.23 0.00 0.00 176.91 175.76 1d8j n THR 56 N -3.84 0.67 0.04 -0.77 5.66 0.26 -4.52 114.28 111.79 1d8j n THR 56 Ca -0.07 -0.84 0.00 0.00 -3.05 0.00 0.00 64.05 60.09 1d8j n THR 56 Cb 0.79 0.77 0.00 0.00 -1.55 0.00 0.00 70.33 70.34 1d8j n THR 56 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1d8j n GLU 57 N 0.95 0.00 0.09 1.09 4.07 1.00 -4.94 120.64 122.91 1d8j n GLU 57 Ca 0.14 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 57.16 1d8j n GLU 57 Cb 0.47 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.81 1d8j n GLU 57 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1d8j h ALA 58 N 0.00 -0.85 -0.08 4.31 0.00 -1.14 -1.33 119.26 120.17 1d8j h ALA 58 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1d8j h ALA 58 Cb 0.00 0.57 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1d8j h ALA 58 CO 0.00 -0.89 0.01 -0.07 0.00 0.00 0.00 179.25 178.30 1d8j h LEU 59 N -0.41 0.13 -1.47 0.00 3.38 -1.36 -2.02 115.31 113.56 1d8j h LEU 59 Ca -0.02 -0.28 0.11 0.00 0.09 0.00 0.00 57.88 57.78 1d8j h LEU 59 Cb 0.38 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 1d8j h LEU 59 CO -0.08 0.38 0.49 -0.37 0.09 0.00 0.00 178.44 178.95 1d8j h VAL 60 N -0.12 0.90 -0.74 1.22 -1.51 -1.71 -1.17 116.25 113.12 1d8j h VAL 60 Ca 0.02 -0.20 -0.48 0.00 -1.23 0.00 0.00 66.70 64.81 1d8j h VAL 60 Cb 0.31 0.27 -0.28 0.00 -2.13 0.00 0.00 31.29 29.45 1d8j h VAL 60 CO 0.00 0.11 0.07 0.59 -1.23 0.00 0.00 177.57 177.10 1d8j n ASN 61 N -4.49 5.00 -4.70 4.19 3.02 -0.50 -4.90 115.26 112.88 1d8j n ASN 61 Ca 0.13 -3.77 -0.38 0.00 -0.03 0.00 0.00 54.58 50.54 1d8j n ASN 61 Cb 0.39 -0.68 -0.07 0.00 -0.61 0.00 0.00 39.78 38.81 1d8j n ASN 61 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1d8j s ASN 62 N -2.53 6.50 0.56 6.41 3.84 -0.44 -4.94 114.94 124.34 1d8j s ASN 62 Ca 0.54 0.59 0.32 0.00 0.21 0.00 0.00 52.86 54.52 1d8j s ASN 62 Cb 0.45 -2.23 1.64 0.00 -0.55 0.00 0.00 41.25 40.56 1d8j s ASN 62 CO 0.02 -0.02 2.12 1.55 -2.79 0.00 0.00 177.10 177.98 1d8j h PRO 63 N 7.04 0.00 -0.19 0.43 0.13 -1.89 -2.84 132.00 134.68 1d8j h PRO 63 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1d8j h PRO 63 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1d8j h PRO 63 CO 0.74 0.07 0.00 1.63 -0.23 0.00 0.00 178.00 180.21 1d8j n LYS 64 N -3.42 1.90 -3.76 0.86 5.02 -1.26 -4.91 118.16 112.59 1d8j n LYS 64 Ca -0.02 -1.64 -0.15 0.00 -2.02 0.00 0.00 58.31 54.49 1d8j n LYS 64 Cb 0.21 -1.22 -0.16 0.00 -0.02 0.00 0.00 35.03 33.85 1d8j n LYS 64 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1d8j s ILE 65 N -0.93 -0.06 0.36 -0.18 1.01 -1.07 -0.69 121.20 119.64 1d8j s ILE 65 Ca 0.17 0.23 0.06 0.00 0.00 0.00 0.00 60.65 61.11 1d8j s ILE 65 Cb 0.10 -0.12 -0.07 0.00 0.01 0.00 0.00 42.46 42.37 1d8j s ILE 65 CO 0.13 0.09 0.01 -1.83 0.00 0.00 0.00 174.94 173.34 1d8j s GLU 66 N 1.19 1.81 -0.17 2.79 -1.05 -0.04 -4.00 118.70 119.24 1d8j s GLU 66 Ca -0.08 -2.00 -0.11 0.00 -0.15 0.00 0.00 54.97 52.63 1d8j s GLU 66 Cb -0.13 -1.37 -0.05 0.00 -0.44 0.00 0.00 34.13 32.15 1d8j s GLU 66 CO -0.04 -0.06 0.19 0.08 0.95 0.00 0.00 175.26 176.38 1d8j s VAL 67 N -2.90 5.38 -0.04 1.83 1.01 -1.26 -0.84 120.40 123.57 1d8j s VAL 67 Ca 0.35 0.32 -0.02 0.00 0.00 0.00 0.00 61.98 62.63 1d8j s VAL 67 Cb 0.08 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.98 1d8j s VAL 67 CO 0.17 0.46 0.05 -0.63 0.00 0.00 0.00 175.10 175.14 1d8j s ILE 68 N 0.13 -0.02 -1.66 2.22 1.01 0.16 -4.82 121.20 118.22 1d8j s ILE 68 Ca 0.12 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.12 1d8j s ILE 68 Cb -0.12 -0.21 0.00 0.00 0.01 0.00 0.00 42.46 42.14 1d8j s ILE 68 CO 0.01 0.19 0.00 -0.67 0.00 0.00 0.00 174.94 174.47 1d8j n ASP 69 N 5.15 -5.57 0.00 3.58 2.03 -1.26 -1.46 116.55 119.02 1d8j n ASP 69 Ca -0.06 0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.27 1d8j n ASP 69 Cb 0.50 -4.65 0.00 0.00 -0.72 0.00 0.00 41.12 36.25 1d8j n ASP 69 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1d8j n GLY 70 N -0.98 2.02 3.69 0.27 0.00 -1.26 -4.99 105.19 103.95 1d8j n GLY 70 Ca -0.23 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 1d8j n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d8j s LYS 71 N 0.00 0.60 -0.04 1.61 3.01 -0.54 -4.92 119.74 119.46 1d8j s LYS 71 Ca 0.00 0.55 0.01 0.00 -1.01 0.00 0.00 55.97 55.51 1d8j s LYS 71 Cb 0.00 -1.76 -0.03 0.00 -1.01 0.00 0.00 37.83 35.03 1d8j s LYS 71 CO 0.00 -2.62 -0.04 0.71 0.51 0.00 0.00 175.35 173.91 1d8j s TYR 72 N -2.98 3.01 -0.01 3.18 1.51 -0.01 -0.67 117.35 121.38 1d8j s TYR 72 Ca 0.65 0.06 0.01 0.00 -1.01 0.00 0.00 57.07 56.78 1d8j s TYR 72 Cb -0.18 -1.70 0.00 0.00 -0.11 0.00 0.00 41.96 39.98 1d8j s TYR 72 CO 0.57 0.40 -0.03 0.00 -1.11 0.00 0.00 175.55 175.39 1d8j s ALA 73 N -0.93 0.29 0.01 3.71 0.00 -0.02 -0.94 121.76 123.87 1d8j s ALA 73 Ca 0.15 -0.07 -0.30 0.00 0.00 0.00 0.00 51.96 51.74 1d8j s ALA 73 Cb -0.11 -0.13 -0.05 0.00 0.00 0.00 0.00 23.12 22.82 1d8j s ALA 73 CO 0.05 0.03 1.35 0.12 0.00 0.00 0.00 175.76 177.32 1d8j s PHE 74 N 0.19 2.99 -0.18 0.00 2.19 -1.26 -0.86 117.98 121.04 1d8j s PHE 74 Ca -0.02 0.93 -0.29 0.00 0.33 0.00 0.00 56.93 57.88 1d8j s PHE 74 Cb -0.04 -3.61 0.00 0.00 -1.31 0.00 0.00 43.02 38.06 1d8j s PHE 74 CO -0.00 -2.17 1.02 0.21 1.83 0.00 0.00 175.22 176.11 1d8j s LYS 75 N 2.15 4.32 0.91 10.12 2.20 0.13 -4.91 119.74 134.67 1d8j s LYS 75 Ca 0.62 1.36 -0.11 0.00 -0.36 0.00 0.00 55.97 57.48 1d8j s LYS 75 Cb -0.31 -3.60 0.14 0.00 -1.51 0.00 0.00 37.83 32.55 1d8j s LYS 75 CO 0.26 -0.51 1.10 -1.25 -0.36 0.00 0.00 175.35 174.59 1d8j s PRO 76 N 2.74 1.09 -0.41 4.03 0.04 -1.26 -4.85 135.00 136.37 1d8j s PRO 76 Ca 0.45 1.06 0.08 0.00 0.04 0.00 0.00 61.00 62.63 1d8j s PRO 76 Cb -0.16 -1.77 0.36 0.00 0.04 0.00 0.00 34.50 32.97 1d8j s PRO 76 CO 0.11 -2.43 1.30 1.17 0.04 0.00 0.00 177.00 177.19 1d8j n LYS 77 N -4.04 1.12 -3.46 4.56 4.81 -1.26 -4.97 118.16 114.92 1d8j n LYS 77 Ca 0.08 -1.80 -0.28 0.00 -0.87 0.00 0.00 58.31 55.44 1d8j n LYS 77 Cb 0.54 -0.25 -0.11 0.00 0.02 0.00 0.00 35.03 35.23 1d8j n LYS 77 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1d8j s TYR 78 N 0.21 0.97 -1.72 5.64 2.02 -1.26 -4.91 117.35 118.31 1d8j s TYR 78 Ca 0.21 -1.96 -0.13 0.00 -0.37 0.00 0.00 57.07 54.82 1d8j s TYR 78 Cb 0.37 -1.00 0.13 0.00 -0.40 0.00 0.00 41.96 41.05 1d8j s TYR 78 CO -0.08 -0.82 0.36 0.27 -1.57 0.00 0.00 175.55 173.71 1d8j n ASN 79 N 3.52 -0.72 -0.96 2.29 6.94 -1.26 -4.22 115.26 120.85 1d8j n ASN 79 Ca 0.19 -1.24 0.00 0.00 -0.02 0.00 0.00 54.58 53.51 1d8j n ASN 79 Cb 0.41 -1.73 0.00 0.00 -2.36 0.00 0.00 39.78 36.10 1d8j n ASN 79 CO 0.00 0.00 0.00 0.55 -1.03 0.00 0.00 177.26 176.78 1d8j n VAL 80 N -4.31 -3.55 -0.65 3.53 3.14 -1.26 -5.28 118.33 109.95 1d8j n VAL 80 Ca -0.09 1.42 0.00 0.00 -2.96 0.00 0.00 64.34 62.71 1d8j n VAL 80 Cb 0.57 -2.10 0.00 0.00 -1.06 0.00 0.00 33.84 31.24 1d8j n VAL 80 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23