#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 3.36 0.00 0.00 1.43 -1.26 -3.51 118.68 118.71 1d8j s LEU 2 Ca 0.00 2.22 0.00 0.00 -1.03 0.00 0.00 54.13 55.32 1d8j s LEU 2 Cb 0.00 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.64 1d8j s LEU 2 CO 0.00 -1.99 0.00 -0.24 0.23 0.00 0.00 176.35 174.35 1d8j n SER 3 N -2.54 0.00 -0.92 2.29 2.88 -1.26 -4.49 113.62 109.58 1d8j n SER 3 Ca 0.12 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.59 1d8j n SER 3 Cb 0.51 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1d8j n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1d8j n GLY 4 N 0.00 0.10 3.75 0.46 0.00 -1.23 -5.02 105.19 103.25 1d8j n GLY 4 Ca 0.00 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 1d8j n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1d8j s SER 5 N -2.71 3.72 0.57 1.61 0.01 -1.26 -4.88 113.70 110.75 1d8j s SER 5 Ca 0.02 1.30 -0.20 0.00 1.31 0.00 0.00 55.95 58.39 1d8j s SER 5 Cb -0.01 -1.99 -0.04 0.00 0.21 0.00 0.00 66.02 64.19 1d8j s SER 5 CO 0.03 -2.46 1.27 -0.55 0.41 0.00 0.00 173.24 171.94 1d8j s SER 6 N -3.69 5.21 0.00 2.44 0.15 -1.26 -4.10 113.70 112.45 1d8j s SER 6 Ca 0.63 2.55 0.00 0.00 0.70 0.00 0.00 55.95 59.83 1d8j s SER 6 Cb -0.16 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 1d8j s SER 6 CO 0.56 -1.59 0.00 0.61 1.20 0.00 0.00 173.24 174.01 1d8j n GLY 7 N 0.66 -1.07 3.77 9.45 0.00 -1.26 -4.74 105.19 112.00 1d8j n GLY 7 Ca 0.12 -1.30 -0.40 0.00 0.00 0.00 0.00 46.02 44.44 1d8j n GLY 7 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1d8j s TYR 8 N -2.89 2.61 0.00 1.61 5.04 -1.26 -0.02 117.35 122.44 1d8j s TYR 8 Ca 0.00 1.28 0.00 0.00 -2.44 0.00 0.00 57.07 55.91 1d8j s TYR 8 Cb 0.00 -3.87 0.00 0.00 0.35 0.00 0.00 41.96 38.44 1d8j s TYR 8 CO 0.00 -2.69 0.00 1.63 -1.34 0.00 0.00 175.55 173.15 1d8j n LYS 9 N 0.10 0.00 -0.09 4.97 5.02 -1.26 -4.20 118.16 122.70 1d8j n LYS 9 Ca 0.03 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.25 1d8j n LYS 9 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.43 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 0.25 -0.35 2.13 0.04 -1.86 0.32 116.94 117.47 1d8j h PHE 10 Ca 0.00 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.75 1d8j h PHE 10 Cb 0.00 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 1d8j h PHE 10 CO 0.00 0.13 0.10 0.78 -0.60 0.00 0.00 178.31 178.72 1d8j h GLY 11 N 0.30 0.60 0.98 -1.45 0.00 -0.59 0.78 103.07 103.67 1d8j h GLY 11 Ca 0.14 -0.36 0.01 0.00 0.00 0.00 0.00 47.33 47.11 1d8j h GLY 11 CO -0.11 0.34 0.23 -2.08 0.00 0.00 0.00 176.54 174.91 1d8j h VAL 12 N 0.42 1.08 -0.58 4.60 2.07 -1.56 0.61 116.25 122.88 1d8j h VAL 12 Ca 0.11 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 1d8j h VAL 12 Cb 0.27 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1d8j h VAL 12 CO -0.00 0.08 0.24 0.25 0.02 0.00 0.00 177.57 178.16 1d8j h LEU 13 N 0.46 0.80 -0.99 2.57 5.85 -0.78 -1.32 115.31 121.90 1d8j h LEU 13 Ca 0.13 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 1d8j h LEU 13 Cb -0.04 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 1d8j h LEU 13 CO -0.04 0.75 0.27 0.00 -0.34 0.00 0.00 178.44 179.08 1d8j h ALA 14 N 1.08 1.20 -0.52 1.25 0.00 -0.39 -0.04 119.26 121.85 1d8j h ALA 14 Ca 0.19 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1d8j h ALA 14 Cb 0.20 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1d8j h ALA 14 CO -0.02 0.58 -0.00 -0.22 0.00 0.00 0.00 179.25 179.59 1d8j h LYS 15 N 0.97 0.92 -0.18 0.00 1.63 -0.53 -0.50 116.57 118.88 1d8j h LYS 15 Ca 0.23 -0.29 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 1d8j h LYS 15 Cb 0.19 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.73 1d8j h LYS 15 CO -0.02 0.94 0.08 0.82 -3.45 0.00 0.00 179.45 177.82 1d8j h ILE 16 N 0.79 1.14 -0.25 2.00 2.04 -0.74 0.08 117.51 122.57 1d8j h ILE 16 Ca 0.15 -0.41 0.01 0.00 1.00 0.00 0.00 64.86 65.60 1d8j h ILE 16 Cb 0.53 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 1d8j h ILE 16 CO 0.03 0.13 0.14 0.58 0.00 0.00 0.00 178.15 179.03 1d8j h VAL 17 N 0.16 1.02 -0.29 1.67 2.07 -0.85 0.17 116.25 120.18 1d8j h VAL 17 Ca 0.06 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.49 1d8j h VAL 17 Cb 0.14 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1d8j h VAL 17 CO -0.01 0.05 0.18 -1.13 0.02 0.00 0.00 177.57 176.69 1d8j h ASN 18 N 0.29 0.31 -0.15 0.57 -0.73 -0.94 -1.68 115.58 113.23 1d8j h ASN 18 Ca 0.10 -0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.26 1d8j h ASN 18 Cb 0.01 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 38.52 1d8j h ASN 18 CO -0.05 0.22 0.08 0.22 -0.37 0.00 0.00 177.43 177.53 1d8j h TYR 19 N 0.37 0.22 -0.51 0.67 3.20 -0.70 -0.51 116.97 119.72 1d8j h TYR 19 Ca 0.11 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.05 1d8j h TYR 19 Cb -0.02 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.15 1d8j h TYR 19 CO -0.07 0.25 0.34 0.52 -1.64 0.00 0.00 178.16 177.57 1d8j h MET 20 N 0.13 0.36 0.24 1.82 2.86 -0.46 -0.25 114.93 119.62 1d8j h MET 20 Ca 0.05 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1d8j h MET 20 Cb 0.11 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1d8j h MET 20 CO -0.01 0.24 -0.12 -0.22 1.06 0.00 0.00 176.91 177.86 1d8j h LYS 21 N 0.37 -0.31 -0.75 1.72 3.64 -0.91 -2.85 116.57 117.48 1d8j h LYS 21 Ca 0.23 0.02 0.15 0.00 -1.27 0.00 0.00 60.65 59.78 1d8j h LYS 21 Cb 0.42 0.07 -0.14 0.00 -0.41 0.00 0.00 32.23 32.17 1d8j h LYS 21 CO -0.06 -0.21 -0.20 1.15 -2.27 0.00 0.00 179.45 177.87 1d8j h THR 22 N -0.83 0.24 -0.62 1.00 2.02 -0.82 0.32 112.91 114.23 1d8j h THR 22 Ca -0.03 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 1d8j h THR 22 Cb 0.25 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 1d8j h THR 22 CO 0.05 0.00 0.25 0.08 0.37 0.00 0.00 175.52 176.28 1d8j h ARG 23 N -0.01 0.92 0.00 6.66 0.11 -1.19 -1.73 114.38 119.14 1d8j h ARG 23 Ca 0.35 -0.16 -0.03 0.00 0.10 0.00 0.00 59.98 60.24 1d8j h ARG 23 Cb 0.55 -0.15 -0.00 0.00 1.11 0.00 0.00 29.97 31.47 1d8j h ARG 23 CO -0.77 0.77 -0.17 1.25 0.10 0.00 0.00 179.97 181.16 1d8j h HIS 24 N 0.86 0.00 -0.04 4.08 2.76 -0.59 0.41 115.15 122.63 1d8j h HIS 24 Ca 0.21 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.18 1d8j h HIS 24 Cb 0.19 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.15 1d8j h HIS 24 CO 0.01 0.17 -0.80 1.96 -1.30 0.00 0.00 177.93 177.96 1d8j h GLN 25 N 0.00 0.36 -1.22 5.26 4.20 0.36 -3.28 115.11 120.80 1d8j h GLN 25 Ca -0.00 -0.33 -0.50 0.00 0.06 0.00 0.00 58.65 57.88 1d8j h GLN 25 Cb 0.36 0.08 -0.22 0.00 0.30 0.00 0.00 27.48 27.99 1d8j h GLN 25 CO 0.02 0.99 0.65 2.89 -0.67 0.00 0.00 178.83 182.71 1d8j n ARG 26 N -3.79 2.25 0.00 1.46 1.85 -0.83 -4.84 116.66 112.76 1d8j n ARG 26 Ca -0.05 -2.47 0.00 0.00 -1.00 0.00 0.00 57.85 54.33 1d8j n ARG 26 Cb 0.75 -1.97 0.00 0.00 -1.05 0.00 0.00 32.46 30.19 1d8j n ARG 26 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1d8j n GLY 27 N -0.38 2.73 1.69 2.89 0.00 -1.23 -4.89 105.19 106.00 1d8j n GLY 27 Ca 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.44 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 5.60 -3.60 1.61 -0.08 0.08 -4.71 116.55 115.45 1d8j n ASP 28 Ca 0.00 -2.58 -0.41 0.00 -1.51 0.00 0.00 54.79 50.29 1d8j n ASP 28 Cb 0.00 -1.16 -0.01 0.00 2.34 0.00 0.00 41.12 42.29 1d8j n ASP 28 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1d8j n THR 29 N 1.39 3.80 -3.94 5.18 5.66 -1.25 -3.63 114.28 121.48 1d8j n THR 29 Ca 0.14 -2.96 -0.10 0.00 -3.05 0.00 0.00 64.05 58.09 1d8j n THR 29 Cb 0.58 -2.59 -0.10 0.00 -1.55 0.00 0.00 70.33 66.66 1d8j n THR 29 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 1d8j s HIS 30 N 2.68 0.20 0.65 1.09 -3.43 -1.26 -5.04 115.29 110.18 1d8j s HIS 30 Ca 0.54 -0.45 -0.17 0.00 -0.80 0.00 0.00 55.06 54.18 1d8j s HIS 30 Cb 0.15 -0.15 -0.01 0.00 -1.43 0.00 0.00 32.58 31.15 1d8j s HIS 30 CO -0.08 -0.29 1.25 -2.14 -2.00 0.00 0.00 174.74 171.49 1d8j s PRO 31 N -1.99 2.56 0.00 -0.38 0.02 -1.26 -4.74 135.00 129.21 1d8j s PRO 31 Ca -0.10 1.93 -0.01 0.00 0.02 0.00 0.00 61.00 62.84 1d8j s PRO 31 Cb -0.05 -1.86 -0.00 0.00 0.02 0.00 0.00 34.50 32.60 1d8j s PRO 31 CO -0.02 -1.56 0.01 -0.51 -0.33 0.00 0.00 177.00 174.59 1d8j s LEU 32 N -4.48 2.02 1.20 -5.54 1.43 -0.16 -4.86 118.68 108.29 1d8j s LEU 32 Ca 0.79 -0.13 -0.14 0.00 -1.03 0.00 0.00 54.13 53.62 1d8j s LEU 32 Cb -0.34 0.08 0.29 0.00 0.03 0.00 0.00 46.19 46.26 1d8j s LEU 32 CO 0.39 -0.10 1.02 0.42 0.23 0.00 0.00 176.35 178.31 1d8j s THR 33 N -0.45 1.89 0.06 5.49 -4.23 -1.26 -0.71 115.64 116.43 1d8j s THR 33 Ca -0.05 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.16 1d8j s THR 33 Cb -0.03 -2.12 -0.18 0.00 1.34 0.00 0.00 72.50 71.51 1d8j s THR 33 CO -0.00 0.00 1.58 0.25 -0.54 0.00 0.00 174.62 175.90 1d8j h LEU 34 N -2.70 -0.58 -0.84 4.79 7.12 -1.96 -2.57 115.31 118.58 1d8j h LEU 34 Ca -0.59 -0.01 0.04 0.00 0.13 0.00 0.00 57.88 57.45 1d8j h LEU 34 Cb 1.34 0.15 -0.05 0.00 -0.53 0.00 0.00 40.66 41.56 1d8j h LEU 34 CO 0.48 -0.37 0.53 0.44 -0.13 0.00 0.00 178.44 179.39 1d8j h ASP 35 N -0.74 0.86 -0.94 1.25 3.32 -2.00 -1.43 116.42 116.74 1d8j h ASP 35 Ca -0.07 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.06 1d8j h ASP 35 Cb 0.55 -0.18 -0.07 0.00 0.22 0.00 0.00 39.33 39.85 1d8j h ASP 35 CO 0.11 0.58 0.59 -0.33 -1.72 0.00 0.00 179.24 178.48 1d8j h GLU 36 N 1.01 1.02 -0.30 3.56 5.08 -1.90 -1.17 114.58 121.88 1d8j h GLU 36 Ca 0.34 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.61 1d8j h GLU 36 Cb 0.06 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1d8j h GLU 36 CO -0.13 0.67 0.06 0.82 -1.00 0.00 0.00 179.01 179.43 1d8j h ILE 37 N 1.05 1.22 -0.31 3.13 2.04 -0.87 -3.08 117.51 120.69 1d8j h ILE 37 Ca 0.42 -0.76 0.05 0.00 1.00 0.00 0.00 64.86 65.58 1d8j h ILE 37 Cb 0.24 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 1d8j h ILE 37 CO -0.20 0.25 0.01 -0.07 0.00 0.00 0.00 178.15 178.14 1d8j h LEU 38 N 0.32 -0.10 -0.13 1.44 3.38 -0.47 -1.68 115.31 118.08 1d8j h LEU 38 Ca 0.09 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.17 1d8j h LEU 38 Cb 0.31 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.11 1d8j h LEU 38 CO 0.00 -0.02 -0.49 -0.78 0.09 0.00 0.00 178.44 177.24 1d8j h ASP 39 N 0.10 -1.56 -0.70 -0.43 3.58 -1.17 0.37 116.42 116.61 1d8j h ASP 39 Ca 0.15 0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.78 1d8j h ASP 39 Cb 0.19 0.62 -0.03 0.00 1.72 0.00 0.00 39.33 41.83 1d8j h ASP 39 CO -0.24 -0.47 0.40 -0.33 -2.88 0.00 0.00 179.24 175.73 1d8j h GLU 40 N -0.55 0.96 0.00 0.28 5.08 -1.46 -1.70 114.58 117.19 1d8j h GLU 40 Ca 0.05 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1d8j h GLU 40 Cb 0.67 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1d8j h GLU 40 CO -0.42 0.70 0.00 0.25 -1.00 0.00 0.00 179.01 178.54 1d8j n THR 41 N -4.52 0.35 -3.09 1.13 -2.24 -0.65 -4.90 114.28 100.35 1d8j n THR 41 Ca 0.06 0.09 -0.13 0.00 -2.27 0.00 0.00 64.05 61.79 1d8j n THR 41 Cb 0.07 -0.69 0.07 0.00 -2.10 0.00 0.00 70.33 67.68 1d8j n THR 41 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1d8j n GLN 42 N -1.40 -5.07 -2.34 -0.78 7.27 0.10 -4.96 117.38 110.20 1d8j n GLN 42 Ca 0.08 0.64 -0.10 0.00 0.07 0.00 0.00 57.00 57.69 1d8j n GLN 42 Cb 0.23 -5.04 0.04 0.00 2.41 0.00 0.00 30.24 27.89 1d8j n GLN 42 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1d8j n HIS 43 N -3.43 1.81 -0.02 3.69 8.25 0.34 -4.84 115.22 121.01 1d8j n HIS 43 Ca -0.20 -2.08 -0.16 0.00 -0.26 0.00 0.00 57.72 55.02 1d8j n HIS 43 Cb 0.62 -0.28 -0.09 0.00 1.12 0.00 0.00 29.99 31.36 1d8j n HIS 43 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1d8j h LEU 44 N 2.29 0.54 -3.32 2.41 3.38 -1.91 -3.12 115.31 115.59 1d8j h LEU 44 Ca 0.09 -0.66 -0.15 0.00 0.09 0.00 0.00 57.88 57.24 1d8j h LEU 44 Cb 1.40 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.93 1d8j h LEU 44 CO 0.42 1.12 0.14 0.47 0.09 0.00 0.00 178.44 180.68 1d8j n ASP 45 N -4.29 5.80 0.08 -0.43 9.92 -1.26 -4.25 116.55 122.11 1d8j n ASP 45 Ca -0.08 -2.69 -0.09 0.00 -0.53 0.00 0.00 54.79 51.40 1d8j n ASP 45 Cb 0.58 -1.13 -0.10 0.00 -0.64 0.00 0.00 41.12 39.83 1d8j n ASP 45 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 1d8j h ILE 46 N 1.12 1.64 0.00 0.53 2.10 -1.92 -3.50 117.51 117.48 1d8j h ILE 46 Ca 0.14 -3.22 0.00 0.00 1.08 0.00 0.00 64.86 62.86 1d8j h ILE 46 Cb 1.00 2.81 0.00 0.00 -1.09 0.00 0.00 36.82 39.53 1d8j h ILE 46 CO 0.33 0.93 0.00 0.61 -1.08 0.00 0.00 178.15 178.94 1d8j n GLY 47 N 1.30 2.07 0.29 8.18 0.00 -1.26 -4.54 105.19 111.24 1d8j n GLY 47 Ca -0.02 -1.54 0.14 0.00 0.00 0.00 0.00 46.02 44.60 1d8j n GLY 47 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1d8j h LEU 48 N 0.00 0.00 -1.50 0.99 -0.00 -1.97 -0.22 115.31 112.62 1d8j h LEU 48 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1d8j h LEU 48 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.64 1d8j h LEU 48 CO 0.00 0.01 0.19 0.11 -0.00 0.00 0.00 178.44 178.75 1d8j h LYS 49 N 0.00 0.53 0.08 0.17 1.57 -1.99 0.13 116.57 117.05 1d8j h LYS 49 Ca -0.00 -0.05 -0.31 0.00 -1.87 0.00 0.00 60.65 58.42 1d8j h LYS 49 Cb 0.02 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1d8j h LYS 49 CO 0.00 0.41 -1.68 1.96 -0.57 0.00 0.00 179.45 179.57 1d8j h GLN 50 N 0.53 0.18 -0.40 3.15 1.08 -1.36 -3.22 115.11 115.07 1d8j h GLN 50 Ca 0.14 -0.30 0.06 0.00 -1.45 0.00 0.00 58.65 57.09 1d8j h GLN 50 Cb 0.05 0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 27.54 1d8j h GLN 50 CO -0.02 1.15 0.10 -0.22 -0.95 0.00 0.00 178.83 178.89 1d8j h LYS 51 N -0.34 0.23 -0.28 1.46 3.64 -0.96 0.74 116.57 121.06 1d8j h LYS 51 Ca -0.38 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.02 1d8j h LYS 51 Cb 1.76 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.49 1d8j h LYS 51 CO -0.01 0.16 0.08 0.37 -2.27 0.00 0.00 179.45 177.77 1d8j h GLN 52 N 0.24 0.19 0.28 1.90 -0.00 -0.91 0.25 115.11 117.06 1d8j h GLN 52 Ca 0.19 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.83 1d8j h GLN 52 Cb 0.21 -0.04 -0.02 0.00 0.00 0.00 0.00 27.48 27.63 1d8j h GLN 52 CO -0.23 0.13 -0.26 2.35 0.00 0.00 0.00 178.83 180.81 1d8j h TRP 53 N 0.20 -0.70 -0.79 3.99 7.01 -1.37 0.14 115.95 124.43 1d8j h TRP 53 Ca 0.13 0.00 0.12 0.00 2.11 0.00 0.00 58.89 61.25 1d8j h TRP 53 Cb 0.11 0.27 -0.08 0.00 -2.10 0.00 0.00 29.16 27.36 1d8j h TRP 53 CO -0.15 -0.38 0.41 -0.07 -2.79 0.00 0.00 178.44 175.45 1d8j h LEU 54 N -0.57 0.51 -0.39 0.65 3.38 -0.60 0.07 115.31 118.37 1d8j h LEU 54 Ca -0.01 0.08 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 1d8j h LEU 54 Cb 0.52 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1d8j h LEU 54 CO -0.04 0.26 -0.51 -0.03 0.09 0.00 0.00 178.44 178.21 1d8j h MET 55 N 0.63 0.81 -0.53 1.13 4.05 -0.48 0.20 114.93 120.74 1d8j h MET 55 Ca 0.41 -0.49 -0.38 0.00 -0.28 0.00 0.00 59.70 58.97 1d8j h MET 55 Cb 0.51 0.05 -0.28 0.00 -0.80 0.00 0.00 31.60 31.07 1d8j h MET 55 CO -0.32 1.12 -0.56 0.25 0.23 0.00 0.00 176.91 177.63 1d8j n THR 56 N -4.01 2.52 0.00 -0.77 -2.24 0.45 -4.69 114.28 105.53 1d8j n THR 56 Ca -0.03 -3.75 0.00 0.00 -2.27 0.00 0.00 64.05 57.99 1d8j n THR 56 Cb 0.60 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 1d8j n THR 56 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1d8j n GLU 57 N -0.87 0.00 0.31 -0.78 4.07 -0.04 -4.93 120.64 118.41 1d8j n GLU 57 Ca 0.38 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 57.35 1d8j n GLU 57 Cb 0.89 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 32.21 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 0.05 -1.18 0.00 4.31 0.00 -1.54 -2.92 119.26 117.99 1d8j h ALA 58 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1d8j h ALA 58 Cb 0.00 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1d8j h ALA 58 CO 0.00 -1.12 0.00 1.28 0.00 0.00 0.00 179.25 179.41 1d8j n LEU 59 N -4.20 2.60 -0.04 0.00 4.77 0.06 -2.00 117.00 118.18 1d8j n LEU 59 Ca -0.10 -1.30 -0.05 0.00 -0.03 0.00 0.00 56.01 54.53 1d8j n LEU 59 Cb 0.31 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 1d8j n LEU 59 CO 0.24 0.44 -0.74 0.52 -1.33 0.00 0.00 177.39 176.53 1d8j n VAL 60 N 0.45 0.41 0.06 4.08 0.31 -1.11 -4.76 118.33 117.78 1d8j n VAL 60 Ca 0.00 -0.15 0.02 0.00 -0.01 0.00 0.00 64.34 64.20 1d8j n VAL 60 Cb 0.44 -0.82 0.04 0.00 -0.91 0.00 0.00 33.84 32.60 1d8j n VAL 60 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1d8j n ASN 61 N -2.76 1.87 -4.70 4.52 0.23 -1.18 -4.96 115.26 108.28 1d8j n ASN 61 Ca -0.13 -1.58 -0.42 0.00 -0.53 0.00 0.00 54.58 51.92 1d8j n ASN 61 Cb 0.63 -0.05 -0.03 0.00 -2.08 0.00 0.00 39.78 38.26 1d8j n ASN 61 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1d8j s ASN 62 N -0.68 6.54 0.52 0.53 3.84 -0.85 -4.88 114.94 119.96 1d8j s ASN 62 Ca 0.07 2.62 0.18 0.00 0.21 0.00 0.00 52.86 55.94 1d8j s ASN 62 Cb 0.04 -2.58 1.29 0.00 -0.55 0.00 0.00 41.25 39.46 1d8j s ASN 62 CO 0.06 -0.89 2.11 1.55 -2.79 0.00 0.00 177.10 177.14 1d8j h PRO 63 N 7.62 0.01 -1.03 0.43 0.13 -1.95 -2.12 132.00 135.09 1d8j h PRO 63 Ca -0.43 -0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.10 1d8j h PRO 63 Cb 1.20 -0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.05 1d8j h PRO 63 CO 0.93 0.00 0.76 1.63 -0.23 0.00 0.00 178.00 181.10 1d8j n LYS 64 N -4.50 2.46 -3.73 0.86 4.01 -1.26 -4.72 118.16 111.28 1d8j n LYS 64 Ca 0.00 -3.03 -0.11 0.00 -0.51 0.00 0.00 58.31 54.66 1d8j n LYS 64 Cb 0.21 -2.19 -0.06 0.00 -0.51 0.00 0.00 35.03 32.47 1d8j n LYS 64 CO 0.00 0.00 0.00 -1.50 -1.11 0.00 0.00 177.40 174.79 1d8j s ILE 65 N -4.08 0.09 -0.24 -0.18 1.10 -0.80 -2.80 121.20 114.29 1d8j s ILE 65 Ca 0.59 -0.70 -0.21 0.00 -0.51 0.00 0.00 60.65 59.81 1d8j s ILE 65 Cb 0.47 -1.06 0.06 0.00 0.15 0.00 0.00 42.46 42.08 1d8j s ILE 65 CO 0.03 -0.39 0.64 -1.83 -2.11 0.00 0.00 174.94 171.28 1d8j s GLU 66 N -3.07 0.73 -0.49 3.50 -1.05 -0.02 -4.51 118.70 113.79 1d8j s GLU 66 Ca -0.01 0.91 -0.23 0.00 -0.15 0.00 0.00 54.97 55.49 1d8j s GLU 66 Cb 0.01 0.33 0.03 0.00 -0.44 0.00 0.00 34.13 34.06 1d8j s GLU 66 CO -0.07 -0.10 0.84 0.08 0.95 0.00 0.00 175.26 176.97 1d8j s VAL 67 N 0.49 4.56 -0.18 1.83 1.01 -1.26 -0.61 120.40 126.23 1d8j s VAL 67 Ca -0.01 0.35 -0.01 0.00 0.00 0.00 0.00 61.98 62.30 1d8j s VAL 67 Cb -0.05 -4.40 -0.00 0.00 0.00 0.00 0.00 36.38 31.93 1d8j s VAL 67 CO -0.01 -0.87 -0.11 -0.63 0.00 0.00 0.00 175.10 173.48 1d8j s ILE 68 N 3.51 2.89 -1.43 2.22 1.09 0.32 -4.63 121.20 125.16 1d8j s ILE 68 Ca 0.30 -0.67 -0.10 0.00 -1.10 0.00 0.00 60.65 59.07 1d8j s ILE 68 Cb -0.13 -2.26 0.06 0.00 -1.06 0.00 0.00 42.46 39.07 1d8j s ILE 68 CO 0.21 0.48 0.68 -0.67 -0.10 0.00 0.00 174.94 175.55 1d8j n ASP 69 N 4.42 -4.65 0.00 3.58 2.03 -1.26 -1.14 116.55 119.54 1d8j n ASP 69 Ca -0.19 -0.50 0.00 0.00 0.52 0.00 0.00 54.79 54.62 1d8j n ASP 69 Cb 0.51 -3.77 0.00 0.00 -0.72 0.00 0.00 41.12 37.14 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 -1.43 2.29 3.86 0.27 0.00 -1.26 -4.99 105.19 103.93 1d8j n GLY 70 Ca -0.02 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 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 3.08 -0.25 1.61 3.01 -0.29 -4.96 119.74 121.94 1d8j s LYS 71 Ca 0.00 0.68 -0.10 0.00 -1.01 0.00 0.00 55.97 55.53 1d8j s LYS 71 Cb 0.00 -2.03 -0.05 0.00 -1.01 0.00 0.00 37.83 34.74 1d8j s LYS 71 CO 0.00 -0.93 0.16 0.71 0.51 0.00 0.00 175.35 175.80 1d8j s TYR 72 N -3.21 3.26 0.16 3.18 2.02 0.11 -0.52 117.35 122.35 1d8j s TYR 72 Ca 0.57 0.14 0.08 0.00 -0.37 0.00 0.00 57.07 57.49 1d8j s TYR 72 Cb -0.12 -2.29 -0.04 0.00 -0.40 0.00 0.00 41.96 39.11 1d8j s TYR 72 CO 0.53 -0.04 -0.08 0.00 -1.57 0.00 0.00 175.55 174.40 1d8j s ALA 73 N 1.30 2.99 -0.37 3.71 0.00 0.22 -0.98 121.76 128.62 1d8j s ALA 73 Ca 0.07 -1.40 -0.29 0.00 0.00 0.00 0.00 51.96 50.34 1d8j s ALA 73 Cb -0.14 -0.82 0.02 0.00 0.00 0.00 0.00 23.12 22.18 1d8j s ALA 73 CO 0.06 0.51 1.08 0.12 0.00 0.00 0.00 175.76 177.53 1d8j s PHE 74 N -1.59 3.05 -0.10 0.00 5.36 -1.26 -0.84 117.98 122.60 1d8j s PHE 74 Ca 0.24 1.03 -0.30 0.00 -0.96 0.00 0.00 56.93 56.95 1d8j s PHE 74 Cb -0.09 -3.89 -0.03 0.00 -0.34 0.00 0.00 43.02 38.66 1d8j s PHE 74 CO 0.15 -0.91 1.29 0.21 -1.46 0.00 0.00 175.22 174.51 1d8j s LYS 75 N 3.86 4.27 0.05 10.12 2.20 -1.12 -4.88 119.74 134.25 1d8j s LYS 75 Ca 0.46 1.75 -0.36 0.00 -0.36 0.00 0.00 55.97 57.46 1d8j s LYS 75 Cb -0.11 -3.68 -0.15 0.00 -1.51 0.00 0.00 37.83 32.38 1d8j s LYS 75 CO 0.20 -0.61 1.51 -2.30 -0.36 0.00 0.00 175.35 173.79 1d8j n PRO 76 N 6.00 1.56 -0.99 4.03 -0.02 -1.26 -4.44 135.00 139.87 1d8j n PRO 76 Ca 0.13 0.56 -0.31 0.00 -2.02 0.00 0.00 63.50 61.86 1d8j n PRO 76 Cb 0.45 -2.27 0.13 0.00 -0.02 0.00 0.00 33.50 31.79 1d8j n PRO 76 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1d8j s LYS 77 N 1.26 1.66 -0.15 -0.52 0.00 -1.26 -4.99 119.74 115.74 1d8j s LYS 77 Ca 0.85 1.36 -0.00 0.00 0.00 0.00 0.00 55.97 58.18 1d8j s LYS 77 Cb -0.86 -1.81 -0.01 0.00 0.00 0.00 0.00 37.83 35.15 1d8j s LYS 77 CO 0.46 -2.12 -0.13 0.71 0.00 0.00 0.00 175.35 174.27 1d8j s TYR 78 N -2.76 2.81 0.29 1.78 2.02 -1.26 -5.00 117.35 115.23 1d8j s TYR 78 Ca 0.64 -0.88 0.00 0.00 -0.37 0.00 0.00 57.07 56.46 1d8j s TYR 78 Cb -0.20 -1.89 0.00 0.00 -0.40 0.00 0.00 41.96 39.47 1d8j s TYR 78 CO 0.57 -0.38 0.00 0.09 -1.57 0.00 0.00 175.55 174.26 1d8j n ASN 79 N 3.93 -4.79 0.19 2.29 4.13 -1.26 -4.73 115.26 115.02 1d8j n ASN 79 Ca -0.19 0.78 0.04 0.00 1.68 0.00 0.00 54.58 56.89 1d8j n ASN 79 Cb 0.52 -2.10 0.37 0.00 -1.54 0.00 0.00 39.78 37.02 1d8j n ASN 79 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 1d8j h VAL 80 N 0.58 1.12 0.00 2.41 3.04 -2.06 -3.56 116.25 117.78 1d8j h VAL 80 Ca 0.00 -1.39 0.00 0.00 -1.01 0.00 0.00 66.70 64.30 1d8j h VAL 80 Cb 0.19 1.78 0.00 0.00 -2.01 0.00 0.00 31.29 31.25 1d8j h VAL 80 CO 0.00 0.38 0.00 -2.11 -1.01 0.00 0.00 177.57 174.83