#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 0.00 0.00 7.94 -1.26 -4.99 117.00 118.69 1d8j n LEU 2 Ca 0.00 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.85 1d8j n LEU 2 Cb 0.00 0.00 0.02 0.00 0.53 0.00 0.00 43.42 43.97 1d8j n LEU 2 CO 0.00 -0.25 0.38 -0.24 -1.11 0.00 0.00 177.39 176.17 1d8j n SER 3 N -2.73 -1.33 -2.71 1.96 2.88 -1.26 -5.11 113.62 105.32 1d8j n SER 3 Ca 0.00 -1.87 -0.06 0.00 -1.33 0.00 0.00 58.87 55.61 1d8j n SER 3 Cb 0.00 2.20 0.08 0.00 -0.75 0.00 0.00 64.21 65.75 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 -0.36 -0.52 2.71 0.46 0.00 -1.26 -5.06 105.19 101.16 1d8j n GLY 4 Ca -0.04 0.45 -0.40 0.00 0.00 0.00 0.00 46.02 46.03 1d8j n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1d8j n SER 5 N 1.00 4.69 0.19 1.61 7.64 -1.26 -4.60 113.62 122.88 1d8j n SER 5 Ca 0.03 -2.70 0.05 0.00 1.01 0.00 0.00 58.87 57.26 1d8j n SER 5 Cb 0.69 -1.46 0.35 0.00 -1.01 0.00 0.00 64.21 62.78 1d8j n SER 5 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1d8j h SER 6 N 6.24 0.00 -2.29 6.43 0.87 -2.08 -3.47 113.55 119.25 1d8j h SER 6 Ca 0.59 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.99 1d8j h SER 6 Cb 0.52 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.51 1d8j h SER 6 CO 1.84 0.39 -0.26 0.61 -0.53 0.00 0.00 176.83 178.88 1d8j n GLY 7 N 0.08 0.21 3.65 5.77 0.00 -1.26 -4.93 105.19 108.71 1d8j n GLY 7 Ca -0.01 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 1d8j n GLY 7 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1d8j s TYR 8 N -2.85 1.85 0.00 1.61 1.13 -1.26 -1.65 117.35 116.18 1d8j s TYR 8 Ca 0.15 1.48 0.00 0.00 -1.41 0.00 0.00 57.07 57.29 1d8j s TYR 8 Cb -0.06 -3.20 0.00 0.00 -1.10 0.00 0.00 41.96 37.59 1d8j s TYR 8 CO 0.18 -2.84 0.00 1.63 -2.51 0.00 0.00 175.55 172.01 1d8j n LYS 9 N -4.23 0.00 -0.09 -3.49 5.02 -1.26 -4.37 118.16 109.75 1d8j n LYS 9 Ca 0.08 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.27 1d8j n LYS 9 Cb 0.53 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.52 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 0.44 -0.10 2.13 0.04 -1.98 0.47 116.94 117.94 1d8j h PHE 10 Ca 0.00 -0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.75 1d8j h PHE 10 Cb 0.00 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.01 1d8j h PHE 10 CO 0.00 0.44 0.01 0.78 -0.60 0.00 0.00 178.31 178.94 1d8j h GLY 11 N 0.31 0.10 0.97 -1.45 0.00 -1.51 0.88 103.07 102.36 1d8j h GLY 11 Ca 0.09 -0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.43 1d8j h GLY 11 CO -0.01 -0.00 0.14 -2.08 0.00 0.00 0.00 176.54 174.59 1d8j h VAL 12 N 0.05 1.04 -0.50 4.60 2.07 -1.79 -1.34 116.25 120.38 1d8j h VAL 12 Ca 0.04 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.48 1d8j h VAL 12 Cb 0.04 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1d8j h VAL 12 CO -0.06 0.05 0.32 0.25 0.02 0.00 0.00 177.57 178.15 1d8j h LEU 13 N 0.29 0.53 -0.70 2.57 5.85 -0.63 -0.33 115.31 122.89 1d8j h LEU 13 Ca 0.09 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1d8j h LEU 13 Cb -0.02 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1d8j h LEU 13 CO -0.03 0.38 0.45 0.00 -0.34 0.00 0.00 178.44 178.89 1d8j h ALA 14 N 1.20 0.89 -0.42 1.25 0.00 -0.52 0.13 119.26 121.80 1d8j h ALA 14 Ca 0.19 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1d8j h ALA 14 Cb -0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1d8j h ALA 14 CO -0.06 0.33 0.08 -0.22 0.00 0.00 0.00 179.25 179.38 1d8j h LYS 15 N 0.95 0.68 -0.29 0.00 3.64 -0.82 -0.40 116.57 120.33 1d8j h LYS 15 Ca 0.25 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1d8j h LYS 15 Cb -0.08 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1d8j h LYS 15 CO -0.05 0.71 0.18 0.82 -2.27 0.00 0.00 179.45 178.83 1d8j h ILE 16 N 0.54 1.10 -0.23 2.00 2.04 -0.64 -0.05 117.51 122.27 1d8j h ILE 16 Ca 0.13 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.76 1d8j h ILE 16 Cb 0.35 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1d8j h ILE 16 CO 0.00 0.10 0.12 0.58 0.00 0.00 0.00 178.15 178.96 1d8j h VAL 17 N 0.37 1.01 -0.47 1.67 2.07 -0.57 -0.02 116.25 120.30 1d8j h VAL 17 Ca 0.11 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1d8j h VAL 17 Cb 0.01 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1d8j h VAL 17 CO -0.02 0.05 0.26 -1.13 0.02 0.00 0.00 177.57 176.75 1d8j h ASN 18 N 0.26 0.59 0.90 0.57 -1.24 -0.85 0.77 115.58 116.58 1d8j h ASN 18 Ca 0.09 -0.09 -0.04 0.00 0.71 0.00 0.00 56.30 56.97 1d8j h ASN 18 Cb 0.01 -0.15 0.01 0.00 0.73 0.00 0.00 38.32 38.92 1d8j h ASN 18 CO -0.06 0.50 -0.44 0.22 -1.29 0.00 0.00 177.43 176.37 1d8j h TYR 19 N 0.63 -1.15 -0.89 0.67 3.20 -0.69 -0.43 116.97 118.30 1d8j h TYR 19 Ca 0.17 -0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.13 1d8j h TYR 19 Cb 0.04 0.38 -0.07 0.00 1.54 0.00 0.00 36.73 38.63 1d8j h TYR 19 CO -0.02 -0.71 0.57 0.52 -1.64 0.00 0.00 178.16 176.89 1d8j h MET 20 N -1.22 0.76 -0.41 1.82 2.86 -0.93 0.20 114.93 118.01 1d8j h MET 20 Ca -0.12 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1d8j h MET 20 Cb 0.94 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.41 1d8j h MET 20 CO 0.19 0.51 0.26 -0.22 1.06 0.00 0.00 176.91 178.71 1d8j h LYS 21 N 0.79 0.55 -0.52 1.72 3.11 -0.52 -0.45 116.57 121.24 1d8j h LYS 21 Ca 0.43 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 58.24 1d8j h LYS 21 Cb 0.57 -0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 31.65 1d8j h LYS 21 CO -0.20 0.39 0.34 1.15 -2.81 0.00 0.00 179.45 178.32 1d8j h THR 22 N 0.55 1.14 0.12 1.00 2.02 0.72 0.27 112.91 118.72 1d8j h THR 22 Ca 0.15 -0.25 0.01 0.00 0.77 0.00 0.00 66.41 67.09 1d8j h THR 22 Cb -0.03 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 1d8j h THR 22 CO -0.03 0.13 -0.19 0.03 0.37 0.00 0.00 175.52 175.83 1d8j h ARG 23 N 0.70 -0.36 -0.44 6.66 2.47 -0.80 -0.27 114.38 122.35 1d8j h ARG 23 Ca 0.19 0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.91 1d8j h ARG 23 Cb -0.08 0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.30 1d8j h ARG 23 CO -0.04 -0.24 0.18 1.25 0.56 0.00 0.00 179.97 181.68 1d8j h HIS 24 N -0.37 0.61 -0.18 3.04 2.76 -0.82 0.33 115.15 120.51 1d8j h HIS 24 Ca 0.02 -0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.13 1d8j h HIS 24 Cb 0.38 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.14 1d8j h HIS 24 CO -0.18 0.48 -0.03 0.37 -1.30 0.00 0.00 177.93 177.27 1d8j h GLN 25 N 0.61 0.34 0.00 5.26 5.75 0.23 -3.16 115.11 124.15 1d8j h GLN 25 Ca 0.15 -0.12 -0.11 0.00 -0.15 0.00 0.00 58.65 58.42 1d8j h GLN 25 Cb 0.12 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 1d8j h GLN 25 CO -0.02 0.59 -0.53 0.07 -2.65 0.00 0.00 178.83 176.29 1d8j h ARG 26 N 0.06 0.00 0.00 1.69 0.11 -0.88 -3.46 114.38 111.90 1d8j h ARG 26 Ca 0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.13 1d8j h ARG 26 Cb 0.45 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.53 1d8j h ARG 26 CO 0.02 0.53 0.00 0.41 0.10 0.00 0.00 179.97 181.02 1d8j n GLY 27 N 0.06 0.45 2.55 0.08 0.00 -0.85 -5.05 105.19 102.42 1d8j n GLY 27 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1d8j n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1d8j n ASP 28 N 0.00 6.08 0.00 1.61 8.00 0.11 -4.59 116.55 127.76 1d8j n ASP 28 Ca 0.00 -2.71 0.14 0.00 0.71 0.00 0.00 54.79 52.93 1d8j n ASP 28 Cb 0.00 -1.59 0.73 0.00 -0.02 0.00 0.00 41.12 40.24 1d8j n ASP 28 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1d8j n THR 29 N 4.42 0.08 -1.43 -3.53 -2.24 -1.26 -2.94 114.28 107.38 1d8j n THR 29 Ca 0.64 0.02 -0.33 0.00 -2.27 0.00 0.00 64.05 62.11 1d8j n THR 29 Cb 0.31 -0.57 0.09 0.00 -2.10 0.00 0.00 70.33 68.07 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 -2.44 2.21 0.68 4.78 -3.43 -1.26 -4.70 115.29 111.12 1d8j s HIS 30 Ca 0.30 1.61 -0.14 0.00 -0.80 0.00 0.00 55.06 56.02 1d8j s HIS 30 Cb 0.19 -3.33 0.01 0.00 -1.43 0.00 0.00 32.58 28.01 1d8j s HIS 30 CO 0.40 -2.30 1.11 -1.25 -2.00 0.00 0.00 174.74 170.71 1d8j s PRO 31 N -4.13 2.67 0.01 -0.38 0.04 -1.26 -4.79 135.00 127.17 1d8j s PRO 31 Ca 0.70 1.38 0.02 0.00 0.04 0.00 0.00 61.00 63.14 1d8j s PRO 31 Cb -0.25 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 1d8j s PRO 31 CO 0.46 -1.35 -0.05 -0.51 0.04 0.00 0.00 177.00 175.59 1d8j s LEU 32 N -5.04 2.09 0.93 -3.56 1.43 0.02 -4.91 118.68 109.64 1d8j s LEU 32 Ca 0.66 -0.24 -0.12 0.00 -1.03 0.00 0.00 54.13 53.41 1d8j s LEU 32 Cb -0.20 -0.19 0.15 0.00 0.03 0.00 0.00 46.19 45.97 1d8j s LEU 32 CO 0.44 -0.04 1.10 0.42 0.23 0.00 0.00 176.35 178.50 1d8j s THR 33 N -0.55 2.40 0.15 5.49 -4.23 -1.26 -0.87 115.64 116.76 1d8j s THR 33 Ca -0.03 0.13 -0.17 0.00 -1.18 0.00 0.00 61.69 60.44 1d8j s THR 33 Cb -0.05 -2.68 -0.00 0.00 1.34 0.00 0.00 72.50 71.11 1d8j s THR 33 CO -0.00 -0.17 1.76 0.25 -0.54 0.00 0.00 174.62 175.92 1d8j h LEU 34 N -1.63 0.15 -0.00 4.79 7.12 -1.95 -1.52 115.31 122.27 1d8j h LEU 34 Ca -0.51 0.03 0.03 0.00 0.13 0.00 0.00 57.88 57.55 1d8j h LEU 34 Cb 1.31 0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 41.41 1d8j h LEU 34 CO 0.57 0.12 -0.17 -0.78 -0.13 0.00 0.00 178.44 178.06 1d8j h ASP 35 N 0.27 -0.49 -0.86 1.25 3.58 -1.99 -0.16 116.42 118.02 1d8j h ASP 35 Ca 0.14 0.07 0.12 0.00 0.42 0.00 0.00 57.03 57.78 1d8j h ASP 35 Cb 0.09 0.21 -0.06 0.00 1.72 0.00 0.00 39.33 41.28 1d8j h ASP 35 CO -0.13 -0.23 0.55 -0.33 -2.88 0.00 0.00 179.24 176.23 1d8j h GLU 36 N -0.27 0.71 0.10 0.28 5.08 -1.86 -0.46 114.58 118.16 1d8j h GLU 36 Ca 0.05 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1d8j h GLU 36 Cb 0.34 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1d8j h GLU 36 CO -0.16 0.47 -0.05 0.82 -1.00 0.00 0.00 179.01 179.09 1d8j h ILE 37 N 0.73 1.11 -0.58 3.13 2.04 -0.39 -2.98 117.51 120.58 1d8j h ILE 37 Ca 0.41 -0.99 0.05 0.00 1.00 0.00 0.00 64.86 65.33 1d8j h ILE 37 Cb 0.57 1.72 -0.05 0.00 -0.74 0.00 0.00 36.82 38.33 1d8j h ILE 37 CO -0.18 0.23 0.32 -0.07 0.00 0.00 0.00 178.15 178.46 1d8j h LEU 38 N -0.61 0.48 0.02 1.44 3.38 -0.59 -2.26 115.31 117.18 1d8j h LEU 38 Ca -0.01 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1d8j h LEU 38 Cb 0.49 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 1d8j h LEU 38 CO 0.02 0.33 -0.39 -0.78 0.09 0.00 0.00 178.44 177.71 1d8j h ASP 39 N 0.62 -1.18 -0.89 -0.43 3.58 -1.13 0.19 116.42 117.18 1d8j h ASP 39 Ca 0.25 0.14 0.02 0.00 0.42 0.00 0.00 57.03 57.87 1d8j h ASP 39 Cb 0.12 0.46 -0.05 0.00 1.72 0.00 0.00 39.33 41.59 1d8j h ASP 39 CO -0.15 -0.44 0.58 -0.08 -2.88 0.00 0.00 179.24 176.26 1d8j h GLU 40 N -0.56 1.12 -0.07 0.28 4.81 -1.35 -0.45 114.58 118.36 1d8j h GLU 40 Ca 0.05 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1d8j h GLU 40 Cb 0.63 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1d8j h GLU 40 CO -0.29 0.74 0.00 0.25 -0.73 0.00 0.00 179.01 178.98 1d8j n THR 41 N -4.50 0.09 0.00 0.32 -2.24 -0.84 -4.88 114.28 102.23 1d8j n THR 41 Ca 0.10 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1d8j n THR 41 Cb 0.05 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 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 -0.37 0.00 -0.24 -0.78 0.00 0.50 -4.82 117.38 111.67 1d8j n GLN 42 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.08 1d8j n GLN 42 Cb 0.10 -2.80 0.00 0.00 0.00 0.00 0.00 30.24 27.54 1d8j n GLN 42 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1d8j n HIS 43 N -1.89 0.00 -0.04 3.69 -0.00 -0.18 -4.24 115.22 112.56 1d8j n HIS 43 Ca 0.00 -0.67 -0.12 0.00 -0.00 0.00 0.00 57.72 56.92 1d8j n HIS 43 Cb 0.00 -0.36 -0.07 0.00 -0.00 0.00 0.00 29.99 29.56 1d8j n HIS 43 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1d8j h LEU 44 N 2.23 0.20 -3.17 2.41 6.46 -1.86 -2.82 115.31 118.77 1d8j h LEU 44 Ca 0.00 -0.38 -0.20 0.00 -0.12 0.00 0.00 57.88 57.17 1d8j h LEU 44 Cb 0.87 -0.06 -0.09 0.00 -0.73 0.00 0.00 40.66 40.65 1d8j h LEU 44 CO 0.00 0.54 0.26 -0.67 -0.62 0.00 0.00 178.44 177.95 1d8j n ASP 45 N -4.75 5.47 -4.78 1.25 2.03 -1.26 -4.93 116.55 109.58 1d8j n ASP 45 Ca -0.06 -2.77 -0.36 0.00 0.52 0.00 0.00 54.79 52.11 1d8j n ASP 45 Cb 0.25 -0.98 -0.02 0.00 -0.72 0.00 0.00 41.12 39.65 1d8j n ASP 45 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1d8j s ILE 46 N -1.42 3.47 0.30 5.18 2.07 -1.07 -4.96 121.20 124.78 1d8j s ILE 46 Ca 0.20 1.05 -0.29 0.00 -1.41 0.00 0.00 60.65 60.20 1d8j s ILE 46 Cb 0.16 -3.51 -0.13 0.00 0.13 0.00 0.00 42.46 39.11 1d8j s ILE 46 CO 0.01 -0.06 1.38 0.61 -1.91 0.00 0.00 174.94 174.96 1d8j n GLY 47 N 0.24 0.78 0.36 1.50 0.00 -1.26 -4.72 105.19 102.10 1d8j n GLY 47 Ca 0.07 0.40 0.16 0.00 0.00 0.00 0.00 46.02 46.65 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 3.44 0.21 -1.13 0.99 6.46 -1.98 0.33 115.31 123.63 1d8j h LEU 48 Ca -0.46 0.01 0.14 0.00 -0.12 0.00 0.00 57.88 57.45 1d8j h LEU 48 Cb 1.27 -0.04 -0.08 0.00 -0.73 0.00 0.00 40.66 41.08 1d8j h LEU 48 CO 0.69 0.12 0.61 0.50 -0.62 0.00 0.00 178.44 179.74 1d8j h LYS 49 N 0.23 0.82 0.11 1.25 3.64 -2.00 0.76 116.57 121.38 1d8j h LYS 49 Ca 0.27 -0.05 -0.28 0.00 -1.27 0.00 0.00 60.65 59.33 1d8j h LYS 49 Cb 0.76 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1d8j h LYS 49 CO -0.05 0.54 -1.44 1.96 -2.27 0.00 0.00 179.45 178.19 1d8j h GLN 50 N 0.84 0.23 -0.51 1.90 4.20 -1.34 -3.04 115.11 117.38 1d8j h GLN 50 Ca 0.48 -0.39 0.10 0.00 0.06 0.00 0.00 58.65 58.91 1d8j h GLN 50 Cb 0.63 0.15 -0.09 0.00 0.30 0.00 0.00 27.48 28.47 1d8j h GLN 50 CO -0.25 1.19 -0.02 -0.22 -0.67 0.00 0.00 178.83 178.86 1d8j h LYS 51 N -0.32 0.10 -0.03 1.46 3.64 -0.83 0.10 116.57 120.68 1d8j h LYS 51 Ca -0.31 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.06 1d8j h LYS 51 Cb 1.75 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.55 1d8j h LYS 51 CO 0.04 0.06 -0.00 0.37 -2.27 0.00 0.00 179.45 177.66 1d8j h GLN 52 N 0.10 0.06 -0.73 1.90 5.75 -1.02 -3.00 115.11 118.17 1d8j h GLN 52 Ca 0.26 -0.02 0.14 0.00 -0.15 0.00 0.00 58.65 58.88 1d8j h GLN 52 Cb 0.39 -0.01 -0.09 0.00 1.07 0.00 0.00 27.48 28.84 1d8j h GLN 52 CO -0.44 0.35 0.26 2.35 -2.65 0.00 0.00 178.83 178.70 1d8j h TRP 53 N -0.24 0.45 -0.92 3.99 7.01 -1.27 0.55 115.95 125.52 1d8j h TRP 53 Ca 0.01 0.04 0.07 0.00 2.11 0.00 0.00 58.89 61.11 1d8j h TRP 53 Cb 0.33 -0.09 -0.07 0.00 -2.10 0.00 0.00 29.16 27.23 1d8j h TRP 53 CO 0.03 0.04 0.58 -0.07 -2.79 0.00 0.00 178.44 176.23 1d8j h LEU 54 N 0.40 0.92 -0.03 0.65 3.38 -0.75 0.13 115.31 120.01 1d8j h LEU 54 Ca 0.40 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1d8j h LEU 54 Cb 0.61 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1d8j h LEU 54 CO -0.41 0.58 -0.26 0.23 0.09 0.00 0.00 178.44 178.66 1d8j n MET 55 N -4.58 0.09 -0.48 1.13 2.81 0.01 -1.69 117.12 114.41 1d8j n MET 55 Ca 0.14 -0.03 0.02 0.00 -1.81 0.00 0.00 57.70 56.02 1d8j n MET 55 Cb 0.19 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.23 1d8j n MET 55 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1d8j n THR 56 N -1.43 0.35 0.00 2.03 -2.24 -0.18 -4.73 114.28 108.09 1d8j n THR 56 Ca 0.07 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1d8j n THR 56 Cb 0.33 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 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 -0.24 0.00 0.00 -0.78 2.13 0.40 -4.96 120.64 117.19 1d8j n GLU 57 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1d8j n GLU 57 Cb 0.71 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 n ALA 58 N -2.47 0.00 0.04 4.31 0.00 -1.00 -4.24 120.51 117.17 1d8j n ALA 58 Ca 0.00 -0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.57 1d8j n ALA 58 Cb 0.00 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.06 1d8j n ALA 58 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1d8j h LEU 59 N 0.00 0.12 -2.62 0.00 3.38 -1.59 0.90 115.31 115.50 1d8j h LEU 59 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1d8j h LEU 59 Cb 0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1d8j h LEU 59 CO 0.00 0.08 0.09 -0.37 0.09 0.00 0.00 178.44 178.33 1d8j h VAL 60 N 0.14 0.15 0.00 1.22 -1.51 -1.77 -3.07 116.25 111.41 1d8j h VAL 60 Ca 0.19 0.00 -0.11 0.00 -1.23 0.00 0.00 66.70 65.56 1d8j h VAL 60 Cb 0.59 0.91 -0.19 0.00 -2.13 0.00 0.00 31.29 30.47 1d8j h VAL 60 CO -0.02 0.00 -0.61 -0.46 -1.23 0.00 0.00 177.57 175.25 1d8j n ASN 61 N -3.27 0.16 -4.70 4.19 0.23 -0.41 -4.91 115.26 106.56 1d8j n ASN 61 Ca -0.02 -1.87 -0.42 0.00 -0.53 0.00 0.00 54.58 51.74 1d8j n ASN 61 Cb 0.17 -0.09 -0.03 0.00 -2.08 0.00 0.00 39.78 37.75 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 -1.28 6.86 0.59 0.53 3.84 0.18 -4.90 114.94 120.76 1d8j s ASN 62 Ca 0.14 2.15 0.32 0.00 0.21 0.00 0.00 52.86 55.69 1d8j s ASN 62 Cb 0.16 -2.57 1.87 0.00 -0.55 0.00 0.00 41.25 40.16 1d8j s ASN 62 CO -0.07 -0.69 2.24 1.55 -2.79 0.00 0.00 177.10 177.34 1d8j h PRO 63 N 7.55 0.00 -0.28 0.43 0.13 -1.93 -2.02 132.00 135.88 1d8j h PRO 63 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1d8j h PRO 63 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1d8j h PRO 63 CO 0.89 0.02 0.00 1.63 -0.23 0.00 0.00 178.00 180.31 1d8j n LYS 64 N -3.66 2.08 -3.54 0.86 4.01 -1.26 -4.73 118.16 111.92 1d8j n LYS 64 Ca -0.03 -1.90 -0.17 0.00 -0.51 0.00 0.00 58.31 55.70 1d8j n LYS 64 Cb 0.11 -1.35 -0.13 0.00 -0.51 0.00 0.00 35.03 33.15 1d8j n LYS 64 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1d8j s ILE 65 N -1.15 -0.33 0.25 -0.18 1.01 -0.76 -0.07 121.20 119.98 1d8j s ILE 65 Ca 0.26 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.93 1d8j s ILE 65 Cb 0.15 -0.59 -0.04 0.00 0.01 0.00 0.00 42.46 42.00 1d8j s ILE 65 CO 0.21 -0.11 0.44 -0.70 0.00 0.00 0.00 174.94 174.79 1d8j s GLU 66 N 2.34 3.51 -0.10 2.79 2.56 0.11 -3.84 118.70 126.06 1d8j s GLU 66 Ca 0.06 -0.36 -0.04 0.00 0.00 0.00 0.00 54.97 54.62 1d8j s GLU 66 Cb -0.15 -2.78 -0.04 0.00 2.00 0.00 0.00 34.13 33.17 1d8j s GLU 66 CO -0.11 0.32 0.07 0.08 -0.56 0.00 0.00 175.26 175.06 1d8j s VAL 67 N -2.03 4.91 0.00 3.70 1.01 -1.26 -0.81 120.40 125.92 1d8j s VAL 67 Ca 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.33 1d8j s VAL 67 Cb -0.10 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.16 1d8j s VAL 67 CO 0.31 0.60 0.00 -0.38 0.00 0.00 0.00 175.10 175.63 1d8j n ILE 68 N 2.01 0.00 -1.36 2.22 5.41 -1.03 -4.95 119.36 121.66 1d8j n ILE 68 Ca -0.19 0.00 -0.39 0.00 1.00 0.00 0.00 62.75 63.17 1d8j n ILE 68 Cb 0.54 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.45 1d8j n ILE 68 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1d8j n ASP 69 N 0.00 8.22 0.00 4.38 2.03 -1.26 -4.56 116.55 125.36 1d8j n ASP 69 Ca 0.00 -2.61 0.00 0.00 0.52 0.00 0.00 54.79 52.70 1d8j n ASP 69 Cb 0.00 -1.57 0.00 0.00 -0.72 0.00 0.00 41.12 38.83 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 3.63 1.49 3.81 0.27 0.00 -1.26 -4.94 105.19 108.18 1d8j n GLY 70 Ca 0.76 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.48 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 -0.24 -0.06 1.61 1.02 -1.26 -4.90 119.74 115.91 1d8j s LYS 71 Ca 0.00 -0.37 0.05 0.00 0.02 0.00 0.00 55.97 55.66 1d8j s LYS 71 Cb 0.00 -1.74 -0.00 0.00 -0.52 0.00 0.00 37.83 35.57 1d8j s LYS 71 CO 0.00 -3.01 -0.20 0.71 -0.92 0.00 0.00 175.35 171.93 1d8j s TYR 72 N -3.61 2.01 -0.04 3.18 1.51 -0.05 -2.46 117.35 117.89 1d8j s TYR 72 Ca 0.74 -0.64 0.05 0.00 -1.01 0.00 0.00 57.07 56.22 1d8j s TYR 72 Cb -0.05 -1.35 -0.01 0.00 -0.11 0.00 0.00 41.96 40.45 1d8j s TYR 72 CO 0.54 -0.23 -0.20 0.00 -1.11 0.00 0.00 175.55 174.56 1d8j s ALA 73 N 0.08 1.72 0.10 3.71 0.00 0.01 -0.80 121.76 126.59 1d8j s ALA 73 Ca -0.07 -0.81 -0.31 0.00 0.00 0.00 0.00 51.96 50.77 1d8j s ALA 73 Cb -0.13 -0.54 -0.09 0.00 0.00 0.00 0.00 23.12 22.35 1d8j s ALA 73 CO 0.04 0.33 1.74 0.12 0.00 0.00 0.00 175.76 177.99 1d8j s PHE 74 N -0.07 2.31 -0.08 0.00 2.19 -1.26 0.07 117.98 121.12 1d8j s PHE 74 Ca -0.03 0.15 -0.24 0.00 0.33 0.00 0.00 56.93 57.15 1d8j s PHE 74 Cb -0.12 -4.08 -0.03 0.00 -1.31 0.00 0.00 43.02 37.48 1d8j s PHE 74 CO 0.02 -4.38 0.72 0.21 1.83 0.00 0.00 175.22 173.62 1d8j s LYS 75 N 2.62 4.41 0.34 10.12 2.20 0.90 -4.75 119.74 135.57 1d8j s LYS 75 Ca 0.77 0.90 -0.27 0.00 -0.36 0.00 0.00 55.97 57.01 1d8j s LYS 75 Cb -0.43 -3.47 -0.13 0.00 -1.51 0.00 0.00 37.83 32.29 1d8j s LYS 75 CO 0.34 0.00 1.14 -2.30 -0.36 0.00 0.00 175.35 174.18 1d8j n PRO 76 N 4.01 1.71 -1.87 4.03 -0.02 -1.26 -4.54 135.00 137.06 1d8j n PRO 76 Ca -0.00 0.60 -0.39 0.00 -2.02 0.00 0.00 63.50 61.69 1d8j n PRO 76 Cb 0.51 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 1d8j n PRO 76 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1d8j s LYS 77 N -1.80 2.65 -0.32 -0.52 2.20 -1.26 -4.93 119.74 115.76 1d8j s LYS 77 Ca 0.58 1.10 0.04 0.00 -0.36 0.00 0.00 55.97 57.32 1d8j s LYS 77 Cb -0.61 -4.41 0.09 0.00 -1.51 0.00 0.00 37.83 31.39 1d8j s LYS 77 CO 0.60 -2.67 0.01 0.71 -0.36 0.00 0.00 175.35 173.64 1d8j s TYR 78 N 9.49 3.55 -0.36 4.03 2.02 -1.26 -4.93 117.35 129.88 1d8j s TYR 78 Ca 0.81 -2.77 0.12 0.00 -0.37 0.00 0.00 57.07 54.86 1d8j s TYR 78 Cb -0.17 -2.60 0.41 0.00 -0.40 0.00 0.00 41.96 39.20 1d8j s TYR 78 CO 0.26 -0.93 1.31 0.27 -1.57 0.00 0.00 175.55 174.89 1d8j n ASN 79 N 4.32 -0.97 -4.77 2.29 6.94 -1.26 -5.13 115.26 116.69 1d8j n ASN 79 Ca -0.01 -2.43 -0.39 0.00 -0.02 0.00 0.00 54.58 51.73 1d8j n ASN 79 Cb 0.42 0.57 -0.01 0.00 -2.36 0.00 0.00 39.78 38.40 1d8j n ASN 79 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1d8j s VAL 80 N -0.69 2.91 0.00 3.53 0.11 -1.26 -5.34 120.40 119.65 1d8j s VAL 80 Ca 0.21 0.77 0.00 0.00 -2.93 0.00 0.00 61.98 60.03 1d8j s VAL 80 Cb 0.42 -3.43 0.00 0.00 -1.53 0.00 0.00 36.38 31.83 1d8j s VAL 80 CO -0.07 0.08 0.00 -1.14 -3.33 0.00 0.00 175.10 170.64