#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d8j n LEU 2 N 0.00 0.00 -4.08 0.00 0.00 -1.26 -4.68 117.00 106.98 1d8j n LEU 2 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 56.01 55.61 1d8j n LEU 2 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.40 1d8j n LEU 2 CO 0.00 0.00 2.17 -0.24 0.00 0.00 0.00 177.39 179.32 1d8j n SER 3 N 2.66 3.73 0.00 1.96 2.88 -1.26 -4.27 113.62 119.32 1d8j n SER 3 Ca 0.00 -2.80 0.00 0.00 -1.33 0.00 0.00 58.87 54.74 1d8j n SER 3 Cb 0.00 -1.57 0.00 0.00 -0.75 0.00 0.00 64.21 61.89 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 4.82 -0.74 2.70 0.46 0.00 -1.26 -5.07 105.19 106.10 1d8j n GLY 4 Ca 0.49 0.48 -0.07 0.00 0.00 0.00 0.00 46.02 46.93 1d8j n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1d8j n SER 5 N 0.00 -1.80 -4.57 1.61 3.41 -1.26 -5.07 113.62 105.93 1d8j n SER 5 Ca 0.00 -2.48 -0.36 0.00 -0.26 0.00 0.00 58.87 55.77 1d8j n SER 5 Cb 0.00 1.17 -0.03 0.00 -0.26 0.00 0.00 64.21 65.09 1d8j n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1d8j s SER 6 N -0.97 5.96 0.22 4.04 0.15 -1.26 -4.82 113.70 117.02 1d8j s SER 6 Ca 0.18 -1.67 0.00 0.00 0.70 0.00 0.00 55.95 55.16 1d8j s SER 6 Cb 0.31 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 1d8j s SER 6 CO -0.08 -2.05 0.00 0.61 1.20 0.00 0.00 173.24 172.92 1d8j n GLY 7 N 6.14 -1.57 1.14 9.45 0.00 -1.26 -5.08 105.19 114.01 1d8j n GLY 7 Ca 0.42 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.29 -3.13 0.00 1.61 4.19 -1.26 -4.71 117.16 113.56 1d8j n TYR 8 Ca 0.00 1.68 0.00 0.00 3.31 0.00 0.00 57.90 62.89 1d8j n TYR 8 Cb 0.00 -2.77 0.00 0.00 0.49 0.00 0.00 39.34 37.06 1d8j n TYR 8 CO 0.00 0.00 0.00 0.36 0.91 0.00 0.00 176.86 178.13 1d8j n LYS 9 N -1.62 0.00 -0.04 2.98 2.85 -1.26 -4.55 118.16 116.52 1d8j n LYS 9 Ca 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 1d8j n LYS 9 Cb 0.17 -0.01 -0.07 0.00 -0.65 0.00 0.00 35.03 34.47 1d8j n LYS 9 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 177.40 178.09 1d8j h PHE 10 N 0.00 0.30 -0.63 5.58 0.04 -1.99 -1.22 116.94 119.03 1d8j h PHE 10 Ca 0.00 -0.08 0.01 0.00 2.80 0.00 0.00 57.97 60.71 1d8j h PHE 10 Cb 0.00 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.05 1d8j h PHE 10 CO 0.00 0.61 0.42 0.78 -0.60 0.00 0.00 178.31 179.52 1d8j h GLY 11 N -0.10 0.87 0.38 -1.45 0.00 -1.94 0.59 103.07 101.42 1d8j h GLY 11 Ca 0.03 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 1d8j h GLY 11 CO 0.02 0.31 -0.01 -2.08 0.00 0.00 0.00 176.54 174.77 1d8j h VAL 12 N 0.83 1.50 -0.93 4.60 2.07 -1.90 -3.03 116.25 119.39 1d8j h VAL 12 Ca 0.23 -1.50 0.05 0.00 0.82 0.00 0.00 66.70 66.31 1d8j h VAL 12 Cb -0.06 2.51 -0.06 0.00 -1.52 0.00 0.00 31.29 32.16 1d8j h VAL 12 CO -0.05 0.39 0.59 0.25 0.02 0.00 0.00 177.57 178.77 1d8j h LEU 13 N -0.61 0.96 -0.09 2.57 5.85 -0.90 -1.61 115.31 121.47 1d8j h LEU 13 Ca -0.00 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.74 1d8j h LEU 13 Cb 0.65 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1d8j h LEU 13 CO 0.00 0.63 0.02 0.00 -0.34 0.00 0.00 178.44 178.75 1d8j h ALA 14 N 1.41 0.09 -0.76 1.25 0.00 -0.93 0.02 119.26 120.35 1d8j h ALA 14 Ca 0.39 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 1d8j h ALA 14 Cb 0.12 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1d8j h ALA 14 CO -0.16 -0.44 0.34 0.87 0.00 0.00 0.00 179.25 179.86 1d8j h LYS 15 N 0.07 1.10 -0.10 0.00 1.57 -1.33 -0.82 116.57 117.06 1d8j h LYS 15 Ca 0.04 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1d8j h LYS 15 Cb 0.03 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 1d8j h LYS 15 CO -0.05 0.87 0.06 0.82 -0.57 0.00 0.00 179.45 180.58 1d8j h ILE 16 N 1.09 1.06 -0.27 1.86 2.04 -0.85 0.19 117.51 122.63 1d8j h ILE 16 Ca 0.26 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.99 1d8j h ILE 16 Cb 0.15 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1d8j h ILE 16 CO -0.03 0.05 0.12 0.58 0.00 0.00 0.00 178.15 178.87 1d8j h VAL 17 N 0.09 0.98 -0.62 1.67 2.07 -0.62 -0.86 116.25 118.96 1d8j h VAL 17 Ca 0.03 -0.09 -0.09 0.00 0.82 0.00 0.00 66.70 67.38 1d8j h VAL 17 Cb 0.03 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1d8j h VAL 17 CO -0.01 0.05 0.05 0.78 0.02 0.00 0.00 177.57 178.46 1d8j h ASN 18 N 0.26 1.04 0.67 0.57 2.35 -0.96 -1.16 115.58 118.35 1d8j h ASN 18 Ca 0.11 -0.29 -0.03 0.00 -0.55 0.00 0.00 56.30 55.54 1d8j h ASN 18 Cb 0.05 -0.28 0.01 0.00 0.05 0.00 0.00 38.32 38.14 1d8j h ASN 18 CO -0.09 1.07 -0.32 0.22 -1.65 0.00 0.00 177.43 176.66 1d8j h TYR 19 N 0.98 -0.84 -0.95 1.19 3.20 -0.30 -0.73 116.97 119.52 1d8j h TYR 19 Ca 0.18 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.06 1d8j h TYR 19 Cb 0.51 0.28 -0.05 0.00 1.54 0.00 0.00 36.73 39.00 1d8j h TYR 19 CO 0.04 -0.52 0.62 1.98 -1.64 0.00 0.00 178.16 178.64 1d8j h MET 20 N -0.91 1.20 -0.42 1.82 4.05 -1.14 -1.03 114.93 118.50 1d8j h MET 20 Ca -0.09 -0.07 0.06 0.00 -0.28 0.00 0.00 59.70 59.31 1d8j h MET 20 Cb 0.70 -0.27 -0.05 0.00 -0.80 0.00 0.00 31.60 31.18 1d8j h MET 20 CO 0.15 0.79 0.13 -0.22 0.23 0.00 0.00 176.91 177.99 1d8j h LYS 21 N 1.23 0.27 -0.19 0.39 3.64 -1.01 -0.21 116.57 120.70 1d8j h LYS 21 Ca 0.36 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.71 1d8j h LYS 21 Cb -0.07 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1d8j h LYS 21 CO -0.10 0.18 0.07 1.15 -2.27 0.00 0.00 179.45 178.48 1d8j h THR 22 N 0.28 1.17 -0.19 1.00 2.02 -0.14 0.19 112.91 117.23 1d8j h THR 22 Ca 0.20 -0.50 0.02 0.00 0.77 0.00 0.00 66.41 66.89 1d8j h THR 22 Cb 0.20 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1d8j h THR 22 CO -0.22 0.16 0.07 0.03 0.37 0.00 0.00 175.52 175.93 1d8j h ARG 23 N 0.15 0.16 -0.97 6.66 3.08 -0.92 0.76 114.38 123.31 1d8j h ARG 23 Ca 0.06 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.11 1d8j h ARG 23 Cb 0.18 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.15 1d8j h ARG 23 CO -0.00 0.10 0.63 1.25 -1.07 0.00 0.00 179.97 180.88 1d8j h HIS 24 N 0.16 1.23 -0.65 3.04 2.76 -0.69 0.23 115.15 121.24 1d8j h HIS 24 Ca 0.08 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.26 1d8j h HIS 24 Cb 0.05 -0.41 -0.03 0.00 1.55 0.00 0.00 27.41 28.56 1d8j h HIS 24 CO -0.11 0.79 0.34 0.37 -1.30 0.00 0.00 177.93 178.01 1d8j h GLN 25 N 1.32 0.91 -0.28 5.26 5.75 0.18 -2.93 115.11 125.32 1d8j h GLN 25 Ca 0.35 -0.12 -0.04 0.00 -0.15 0.00 0.00 58.65 58.70 1d8j h GLN 25 Cb -0.13 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.23 1d8j h GLN 25 CO -0.07 0.70 0.02 0.00 -2.65 0.00 0.00 178.83 176.83 1d8j h ARG 26 N 0.89 0.48 0.00 1.69 3.08 -0.34 -3.47 114.38 116.71 1d8j h ARG 26 Ca 0.23 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1d8j h ARG 26 Cb 0.07 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1d8j h ARG 26 CO -0.03 0.62 0.00 0.41 -1.07 0.00 0.00 179.97 179.90 1d8j n GLY 27 N -0.38 0.10 2.69 0.04 0.00 -0.40 -5.05 105.19 102.19 1d8j n GLY 27 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 4.44 -0.16 1.61 -0.08 0.68 -4.56 116.55 118.48 1d8j n ASP 28 Ca 0.00 -2.80 0.13 0.00 -1.51 0.00 0.00 54.79 50.61 1d8j n ASP 28 Cb 0.00 -1.64 0.47 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 4.93 0.00 -1.96 5.18 5.66 -1.26 -2.43 114.28 124.39 1d8j n THR 29 Ca 0.55 -0.08 -0.37 0.00 -3.05 0.00 0.00 64.05 61.10 1d8j n THR 29 Cb 0.37 0.15 0.03 0.00 -1.55 0.00 0.00 70.33 69.33 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 -2.57 2.41 0.54 1.09 -3.43 -1.26 -4.59 115.29 107.48 1d8j s HIS 30 Ca 0.24 1.48 -0.21 0.00 -0.80 0.00 0.00 55.06 55.77 1d8j s HIS 30 Cb 0.19 -3.57 -0.05 0.00 -1.43 0.00 0.00 32.58 27.71 1d8j s HIS 30 CO 0.52 -2.36 1.24 -2.30 -2.00 0.00 0.00 174.74 169.84 1d8j n PRO 31 N -1.30 1.49 -4.21 -0.38 -0.02 -1.26 -4.83 135.00 124.49 1d8j n PRO 31 Ca 0.12 0.55 -0.18 0.00 -2.02 0.00 0.00 63.50 61.97 1d8j n PRO 31 Cb 0.48 -2.44 -0.15 0.00 -0.02 0.00 0.00 33.50 31.37 1d8j n PRO 31 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1d8j s LEU 32 N -2.86 1.78 1.15 2.45 1.43 -0.37 -4.86 118.68 117.39 1d8j s LEU 32 Ca 0.72 -0.12 -0.13 0.00 -1.03 0.00 0.00 54.13 53.57 1d8j s LEU 32 Cb -0.43 -0.37 0.27 0.00 0.03 0.00 0.00 46.19 45.69 1d8j s LEU 32 CO 0.49 0.04 1.04 0.42 0.23 0.00 0.00 176.35 178.57 1d8j s THR 33 N 0.20 2.00 0.10 5.49 -4.23 -1.26 -0.74 115.64 117.21 1d8j s THR 33 Ca -0.02 0.00 -0.24 0.00 -1.18 0.00 0.00 61.69 60.25 1d8j s THR 33 Cb -0.07 -2.16 -0.11 0.00 1.34 0.00 0.00 72.50 71.50 1d8j s THR 33 CO -0.00 -0.00 1.70 0.25 -0.54 0.00 0.00 174.62 176.03 1d8j h LEU 34 N -2.52 -0.25 -0.57 4.79 6.46 -1.94 -2.45 115.31 118.83 1d8j h LEU 34 Ca -0.61 0.03 0.03 0.00 -0.12 0.00 0.00 57.88 57.21 1d8j h LEU 34 Cb 1.34 0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 41.32 1d8j h LEU 34 CO 0.52 -0.14 0.33 0.44 -0.62 0.00 0.00 178.44 178.98 1d8j h ASP 35 N -0.18 0.53 -0.37 1.25 3.32 -1.99 -0.86 116.42 118.11 1d8j h ASP 35 Ca 0.02 0.01 0.10 0.00 0.02 0.00 0.00 57.03 57.18 1d8j h ASP 35 Cb 0.20 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1d8j h ASP 35 CO -0.05 0.36 0.26 -0.33 -1.72 0.00 0.00 179.24 177.76 1d8j h GLU 36 N 0.65 0.05 0.11 3.56 5.08 -1.85 -1.05 114.58 121.13 1d8j h GLU 36 Ca 0.24 -0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.38 1d8j h GLU 36 Cb 0.07 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.33 1d8j h GLU 36 CO -0.12 0.03 -0.92 0.82 -1.00 0.00 0.00 179.01 177.82 1d8j h ILE 37 N 0.05 1.41 -0.73 3.13 2.04 -0.74 -3.30 117.51 119.38 1d8j h ILE 37 Ca 0.17 -2.40 0.09 0.00 1.00 0.00 0.00 64.86 63.72 1d8j h ILE 37 Cb 0.63 2.90 -0.07 0.00 -0.74 0.00 0.00 36.82 39.54 1d8j h ILE 37 CO -0.01 0.70 0.39 -0.07 0.00 0.00 0.00 178.15 179.16 1d8j h LEU 38 N -0.10 0.54 -0.52 1.44 3.38 -0.05 -1.42 115.31 118.57 1d8j h LEU 38 Ca -0.14 0.05 0.10 0.00 0.09 0.00 0.00 57.88 57.98 1d8j h LEU 38 Cb 1.66 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 42.26 1d8j h LEU 38 CO 0.17 0.32 -0.13 -0.78 0.09 0.00 0.00 178.44 178.11 1d8j h ASP 39 N 0.67 -0.50 0.00 -0.43 3.58 -1.32 0.60 116.42 119.02 1d8j h ASP 39 Ca 0.35 0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.95 1d8j h ASP 39 Cb 0.33 0.33 0.00 0.00 1.72 0.00 0.00 39.33 41.71 1d8j h ASP 39 CO -0.24 -0.18 -0.02 -0.08 -2.88 0.00 0.00 179.24 175.84 1d8j h GLU 40 N -0.01 0.01 0.00 0.28 4.57 -1.53 -3.26 114.58 114.65 1d8j h GLU 40 Ca 0.25 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 1d8j h GLU 40 Cb 0.39 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1d8j h GLU 40 CO -0.54 0.87 0.00 0.25 -1.18 0.00 0.00 179.01 178.41 1d8j n THR 41 N -4.66 0.38 -3.14 0.32 -2.24 -0.58 -4.85 114.28 99.51 1d8j n THR 41 Ca -0.10 0.10 -0.14 0.00 -2.27 0.00 0.00 64.05 61.63 1d8j n THR 41 Cb 0.43 -0.87 0.06 0.00 -2.10 0.00 0.00 70.33 67.85 1d8j n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1d8j n GLN 42 N -1.17 -5.22 -2.31 -0.78 6.02 -0.00 -4.96 117.38 108.95 1d8j n GLN 42 Ca 0.08 0.61 -0.18 0.00 -0.01 0.00 0.00 57.00 57.50 1d8j n GLN 42 Cb 0.09 -4.95 0.02 0.00 1.02 0.00 0.00 30.24 26.42 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 -3.70 2.44 -0.04 1.08 8.25 -0.02 -4.81 115.22 118.42 1d8j n HIS 43 Ca -0.12 -2.39 -0.14 0.00 -0.26 0.00 0.00 57.72 54.81 1d8j n HIS 43 Cb 0.59 -0.28 -0.11 0.00 1.12 0.00 0.00 29.99 31.31 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 2.39 0.03 -3.48 2.41 4.07 -1.93 -3.16 115.31 115.64 1d8j h LEU 44 Ca 0.22 -0.73 -0.20 0.00 0.08 0.00 0.00 57.88 57.25 1d8j h LEU 44 Cb 1.36 -0.01 -0.08 0.00 1.08 0.00 0.00 40.66 43.01 1d8j h LEU 44 CO 0.63 0.75 0.14 0.47 -1.08 0.00 0.00 178.44 179.35 1d8j n ASP 45 N -4.72 5.86 0.03 -0.43 9.92 -1.26 -4.36 116.55 121.59 1d8j n ASP 45 Ca -0.09 -2.74 -0.11 0.00 -0.53 0.00 0.00 54.79 51.32 1d8j n ASP 45 Cb 0.37 -1.16 0.02 0.00 -0.64 0.00 0.00 41.12 39.71 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 1.25 1.35 0.00 0.53 2.10 -1.91 -3.50 117.51 117.33 1d8j h ILE 46 Ca 0.17 -2.02 0.00 0.00 1.08 0.00 0.00 64.86 64.10 1d8j h ILE 46 Cb 1.01 1.99 0.00 0.00 -1.09 0.00 0.00 36.82 38.74 1d8j h ILE 46 CO 0.40 0.62 0.00 0.61 -1.08 0.00 0.00 178.15 178.70 1d8j n GLY 47 N 0.49 2.61 0.38 8.18 0.00 -1.26 -4.66 105.19 110.93 1d8j n GLY 47 Ca -0.04 -1.40 0.14 0.00 0.00 0.00 0.00 46.02 44.71 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 0.56 -0.80 0.99 6.46 -1.96 -0.05 115.31 120.51 1d8j h LEU 48 Ca 0.00 0.04 0.17 0.00 -0.12 0.00 0.00 57.88 57.96 1d8j h LEU 48 Cb 0.00 -0.07 -0.11 0.00 -0.73 0.00 0.00 40.66 39.75 1d8j h LEU 48 CO 0.00 0.28 0.31 0.50 -0.62 0.00 0.00 178.44 178.91 1d8j h LYS 49 N 0.59 0.40 0.05 1.25 1.63 -2.00 0.13 116.57 118.61 1d8j h LYS 49 Ca 0.43 -0.02 -0.10 0.00 -0.85 0.00 0.00 60.65 60.11 1d8j h LYS 49 Cb 0.80 -0.09 0.01 0.00 -0.60 0.00 0.00 32.23 32.35 1d8j h LYS 49 CO -0.18 0.26 -0.40 1.96 -3.45 0.00 0.00 179.45 177.64 1d8j h GLN 50 N 0.41 0.19 -0.49 1.90 4.20 -1.31 -2.99 115.11 117.02 1d8j h GLN 50 Ca 0.46 -0.27 0.10 0.00 0.06 0.00 0.00 58.65 59.00 1d8j h GLN 50 Cb 0.76 0.09 -0.09 0.00 0.30 0.00 0.00 27.48 28.54 1d8j h GLN 50 CO -0.46 1.06 -0.09 -0.22 -0.67 0.00 0.00 178.83 178.45 1d8j h LYS 51 N -0.55 0.02 -0.18 1.46 3.64 -0.72 0.12 116.57 120.36 1d8j h LYS 51 Ca -0.06 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1d8j h LYS 51 Cb 1.24 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 1d8j h LYS 51 CO 0.08 0.02 0.05 0.37 -2.27 0.00 0.00 179.45 177.69 1d8j h GLN 52 N 0.02 0.13 0.05 1.90 -0.00 -0.87 -0.44 115.11 115.90 1d8j h GLN 52 Ca 0.24 -0.01 0.02 0.00 -0.00 0.00 0.00 58.65 58.90 1d8j h GLN 52 Cb 0.36 -0.03 -0.03 0.00 0.00 0.00 0.00 27.48 27.78 1d8j h GLN 52 CO -0.48 0.08 -0.20 2.35 0.00 0.00 0.00 178.83 180.58 1d8j h TRP 53 N 0.13 -0.53 -0.70 3.99 7.01 -1.12 -1.97 115.95 122.76 1d8j h TRP 53 Ca 0.08 0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.18 1d8j h TRP 53 Cb 0.06 0.23 -0.07 0.00 -2.10 0.00 0.00 29.16 27.28 1d8j h TRP 53 CO -0.12 -0.29 0.36 -0.07 -2.79 0.00 0.00 178.44 175.52 1d8j h LEU 54 N -0.35 0.47 0.31 0.65 3.38 -0.56 -1.31 115.31 117.90 1d8j h LEU 54 Ca 0.04 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1d8j h LEU 54 Cb 0.40 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1d8j h LEU 54 CO -0.15 0.28 -0.15 -0.03 0.09 0.00 0.00 178.44 178.47 1d8j h MET 55 N 0.61 -0.40 -1.38 1.13 4.05 -0.53 -1.62 114.93 116.79 1d8j h MET 55 Ca 0.34 0.03 -0.58 0.00 -0.28 0.00 0.00 59.70 59.21 1d8j h MET 55 Cb 0.34 0.09 -0.42 0.00 -0.80 0.00 0.00 31.60 30.81 1d8j h MET 55 CO -0.26 -0.26 -0.75 -2.37 0.23 0.00 0.00 176.91 173.50 1d8j n THR 56 N -5.27 2.39 0.07 -0.77 5.66 -0.79 -4.43 114.28 111.13 1d8j n THR 56 Ca -0.10 -4.80 0.00 0.00 -3.05 0.00 0.00 64.05 56.10 1d8j n THR 56 Cb 0.19 -1.23 0.00 0.00 -1.55 0.00 0.00 70.33 67.74 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 -0.52 0.00 0.02 1.09 2.13 -0.52 -4.95 120.64 117.90 1d8j n GLU 57 Ca 0.40 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 58.21 1d8j n GLU 57 Cb 0.72 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.42 1d8j n GLU 57 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1d8j h ALA 58 N 0.00 -0.79 -0.01 4.31 0.00 -1.53 -0.03 119.26 121.21 1d8j h ALA 58 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1d8j h ALA 58 Cb 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1d8j h ALA 58 CO 0.00 -0.79 0.02 -0.07 0.00 0.00 0.00 179.25 178.41 1d8j h LEU 59 N -0.08 0.00 -0.01 0.00 3.38 -1.56 -1.99 115.31 115.05 1d8j h LEU 59 Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1d8j h LEU 59 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1d8j h LEU 59 CO 0.01 0.00 -0.21 0.58 0.09 0.00 0.00 178.44 178.92 1d8j h VAL 60 N 0.00 1.54 -2.60 1.22 2.07 -1.73 -3.36 116.25 113.38 1d8j h VAL 60 Ca 0.01 -1.87 -0.79 0.00 0.82 0.00 0.00 66.70 64.88 1d8j h VAL 60 Cb 0.04 2.71 -0.29 0.00 -1.52 0.00 0.00 31.29 32.22 1d8j h VAL 60 CO -0.00 0.51 0.72 0.59 0.02 0.00 0.00 177.57 179.41 1d8j n ASN 61 N -4.55 6.51 -3.65 0.57 3.02 -0.03 -4.92 115.26 112.21 1d8j n ASN 61 Ca -0.09 -3.53 -0.17 0.00 -0.03 0.00 0.00 54.58 50.76 1d8j n ASN 61 Cb 0.47 -1.16 -0.15 0.00 -0.61 0.00 0.00 39.78 38.33 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 -1.77 0.83 0.62 6.41 3.84 -1.15 -4.83 114.94 118.89 1d8j s ASN 62 Ca 0.35 0.27 0.35 0.00 0.21 0.00 0.00 52.86 54.04 1d8j s ASN 62 Cb 0.12 0.32 2.03 0.00 -0.55 0.00 0.00 41.25 43.16 1d8j s ASN 62 CO 0.01 -0.26 2.29 1.55 -2.79 0.00 0.00 177.10 177.90 1d8j h PRO 63 N 8.35 0.00 -0.56 0.43 0.13 -1.92 -0.81 132.00 137.61 1d8j h PRO 63 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1d8j h PRO 63 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1d8j h PRO 63 CO 0.16 0.01 0.00 1.63 -0.23 0.00 0.00 178.00 179.57 1d8j n LYS 64 N -3.56 2.56 -4.09 0.86 5.02 -1.26 -4.67 118.16 113.02 1d8j n LYS 64 Ca -0.03 -1.95 -0.13 0.00 -2.02 0.00 0.00 58.31 54.19 1d8j n LYS 64 Cb 0.09 -1.55 -0.11 0.00 -0.02 0.00 0.00 35.03 33.43 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 -1.52 0.60 -0.05 -0.18 -1.09 -0.31 -0.96 121.20 117.68 1d8j s ILE 65 Ca 0.35 -1.26 -0.06 0.00 -2.23 0.00 0.00 60.65 57.45 1d8j s ILE 65 Cb 0.21 -0.85 0.01 0.00 -1.58 0.00 0.00 42.46 40.25 1d8j s ILE 65 CO 0.21 -0.47 0.17 -0.70 -1.23 0.00 0.00 174.94 172.91 1d8j s GLU 66 N -2.04 0.27 -0.19 2.79 2.56 0.85 -4.60 118.70 118.34 1d8j s GLU 66 Ca -0.05 0.09 -0.14 0.00 0.00 0.00 0.00 54.97 54.87 1d8j s GLU 66 Cb -0.07 0.12 -0.04 0.00 2.00 0.00 0.00 34.13 36.14 1d8j s GLU 66 CO -0.01 -0.05 0.31 0.08 -0.56 0.00 0.00 175.26 175.04 1d8j s VAL 67 N -0.26 5.27 0.00 3.70 1.01 -1.26 -0.40 120.40 128.46 1d8j s VAL 67 Ca -0.04 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.50 1d8j s VAL 67 Cb -0.03 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1d8j s VAL 67 CO 0.01 0.33 0.00 -0.38 0.00 0.00 0.00 175.10 175.06 1d8j n ILE 68 N 3.97 0.00 -1.69 2.22 2.08 -0.74 -4.92 119.36 120.29 1d8j n ILE 68 Ca -0.11 0.00 -0.41 0.00 0.56 0.00 0.00 62.75 62.79 1d8j n ILE 68 Cb 0.52 0.00 -0.01 0.00 -0.75 0.00 0.00 39.64 39.40 1d8j n ILE 68 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1d8j n ASP 69 N 0.00 5.18 0.00 4.38 2.03 -1.26 -4.51 116.55 122.36 1d8j n ASP 69 Ca 0.00 -2.81 0.00 0.00 0.52 0.00 0.00 54.79 52.50 1d8j n ASP 69 Cb 0.00 -1.62 0.00 0.00 -0.72 0.00 0.00 41.12 38.78 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 3.82 1.41 3.80 0.27 0.00 -1.26 -4.95 105.19 108.27 1d8j n GLY 70 Ca 0.57 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.30 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 1.32 -0.21 1.61 1.02 -1.26 -4.90 119.74 117.32 1d8j s LYS 71 Ca 0.00 0.33 -0.03 0.00 0.02 0.00 0.00 55.97 56.29 1d8j s LYS 71 Cb 0.00 -1.86 -0.01 0.00 -0.52 0.00 0.00 37.83 35.45 1d8j s LYS 71 CO 0.00 -2.08 -0.06 0.71 -0.92 0.00 0.00 175.35 173.00 1d8j s TYR 72 N -3.28 2.94 -0.12 3.18 2.02 0.08 -1.78 117.35 120.40 1d8j s TYR 72 Ca 0.63 -0.95 -0.02 0.00 -0.37 0.00 0.00 57.07 56.37 1d8j s TYR 72 Cb -0.15 -2.08 -0.03 0.00 -0.40 0.00 0.00 41.96 39.31 1d8j s TYR 72 CO 0.53 -0.53 -0.05 0.00 -1.57 0.00 0.00 175.55 173.93 1d8j s ALA 73 N 1.38 3.01 0.26 3.71 0.00 0.47 -1.24 121.76 129.34 1d8j s ALA 73 Ca 0.05 -0.84 -0.30 0.00 0.00 0.00 0.00 51.96 50.86 1d8j s ALA 73 Cb -0.14 -1.42 -0.10 0.00 0.00 0.00 0.00 23.12 21.45 1d8j s ALA 73 CO -0.03 0.38 1.47 0.12 0.00 0.00 0.00 175.76 177.70 1d8j s PHE 74 N -0.19 2.97 -0.30 0.00 2.19 -1.26 -0.10 117.98 121.28 1d8j s PHE 74 Ca 0.03 0.98 -0.14 0.00 0.33 0.00 0.00 56.93 58.13 1d8j s PHE 74 Cb -0.13 -3.87 -0.03 0.00 -1.31 0.00 0.00 43.02 37.69 1d8j s PHE 74 CO 0.02 -2.84 0.33 0.21 1.83 0.00 0.00 175.22 174.78 1d8j s LYS 75 N -0.39 3.83 -0.03 10.12 2.20 -0.14 -4.77 119.74 130.56 1d8j s LYS 75 Ca 0.60 -0.21 -0.30 0.00 -0.36 0.00 0.00 55.97 55.70 1d8j s LYS 75 Cb -0.43 -3.71 -0.06 0.00 -1.51 0.00 0.00 37.83 32.12 1d8j s LYS 75 CO 0.44 -0.35 1.66 -1.25 -0.36 0.00 0.00 175.35 175.50 1d8j s PRO 76 N 1.98 4.19 0.00 4.03 0.04 -1.26 -4.50 135.00 139.47 1d8j s PRO 76 Ca 0.12 2.23 0.00 0.00 0.04 0.00 0.00 61.00 63.39 1d8j s PRO 76 Cb -0.16 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.45 1d8j s PRO 76 CO 0.11 -0.82 0.00 1.17 0.04 0.00 0.00 177.00 177.49 1d8j n LYS 77 N 6.86 0.00 -2.22 4.56 3.00 -1.26 -5.01 118.16 124.09 1d8j n LYS 77 Ca 0.17 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 58.06 1d8j n LYS 77 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.46 1d8j n LYS 77 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1d8j n TYR 78 N -0.81 2.82 -0.01 5.64 4.01 -1.26 -4.73 117.16 122.81 1d8j n TYR 78 Ca 0.00 -2.80 -0.09 0.00 -0.16 0.00 0.00 57.90 54.85 1d8j n TYR 78 Cb 0.00 -1.92 0.10 0.00 -0.31 0.00 0.00 39.34 37.21 1d8j n TYR 78 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1d8j n ASN 79 N 3.25 3.33 0.09 7.72 4.13 -1.26 -4.29 115.26 128.24 1d8j n ASN 79 Ca 0.46 -2.71 0.02 0.00 1.68 0.00 0.00 54.58 54.03 1d8j n ASN 79 Cb 0.33 -0.65 0.36 0.00 -1.54 0.00 0.00 39.78 38.28 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 0.62 1.19 0.00 2.41 3.04 -2.05 -3.54 116.25 117.93 1d8j h VAL 80 Ca 0.26 -0.83 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 1d8j h VAL 80 Cb 1.79 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 32.26 1d8j h VAL 80 CO 0.48 0.26 0.00 -2.11 -1.01 0.00 0.00 177.57 175.19