#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d8j h LEU 2 N 0.00 -0.16 -5.37 0.00 5.85 -2.14 -3.39 115.31 110.09 1d8j h LEU 2 Ca 0.00 -0.17 -0.33 0.00 0.84 0.00 0.00 57.88 58.22 1d8j h LEU 2 Cb 0.00 0.04 -0.24 0.00 0.37 0.00 0.00 40.66 40.83 1d8j h LEU 2 CO 0.00 0.08 -0.72 -0.24 -0.34 0.00 0.00 178.44 177.22 1d8j n SER 3 N -5.08 -1.16 -3.61 1.25 2.88 -1.26 -5.03 113.62 101.61 1d8j n SER 3 Ca -0.09 -3.45 -0.41 0.00 -1.33 0.00 0.00 58.87 53.60 1d8j n SER 3 Cb 0.18 0.98 -0.01 0.00 -0.75 0.00 0.00 64.21 64.61 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 0.33 4.41 2.98 0.46 0.00 -1.26 -4.78 105.19 107.33 1d8j n GLY 4 Ca 0.13 -1.60 -0.10 0.00 0.00 0.00 0.00 46.02 44.45 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 2.74 0.26 -0.34 1.61 1.04 -1.26 -5.04 113.70 112.71 1d8j s SER 5 Ca 0.53 0.38 0.15 0.00 0.48 0.00 0.00 55.95 57.49 1d8j s SER 5 Cb 0.15 1.05 0.41 0.00 0.10 0.00 0.00 66.02 67.73 1d8j s SER 5 CO -0.08 -0.28 0.86 -1.54 0.98 0.00 0.00 173.24 173.19 1d8j n SER 6 N 5.36 1.10 0.18 7.02 3.41 -1.26 -4.91 113.62 124.52 1d8j n SER 6 Ca -0.05 -2.84 0.06 0.00 -0.26 0.00 0.00 58.87 55.78 1d8j n SER 6 Cb 0.50 -0.52 0.20 0.00 -0.26 0.00 0.00 64.21 64.12 1d8j n SER 6 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1d8j h GLY 7 N 2.99 0.00 -0.85 5.00 0.00 -1.97 -3.47 103.07 104.76 1d8j h GLY 7 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.18 1d8j h GLY 7 CO 0.49 0.00 -0.12 1.58 0.00 0.00 0.00 176.54 178.49 1d8j n TYR 8 N -3.27 -0.27 0.00 5.60 0.18 -1.26 -3.78 117.16 114.36 1d8j n TYR 8 Ca 0.02 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.80 1d8j n TYR 8 Cb 0.60 -1.91 0.00 0.00 -0.38 0.00 0.00 39.34 37.65 1d8j n TYR 8 CO 0.00 0.00 0.00 0.36 -2.08 0.00 0.00 176.86 175.14 1d8j n LYS 9 N -0.79 0.00 -0.10 -3.48 2.85 -1.26 -4.90 118.16 110.48 1d8j n LYS 9 Ca -0.07 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.07 1d8j n LYS 9 Cb 0.33 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.67 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 0.76 -0.30 5.58 0.04 -1.97 -0.99 116.94 120.06 1d8j h PHE 10 Ca 0.00 -0.20 -0.01 0.00 2.80 0.00 0.00 57.97 60.55 1d8j h PHE 10 Cb 0.00 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 37.97 1d8j h PHE 10 CO 0.00 0.91 0.15 0.78 -0.60 0.00 0.00 178.31 179.54 1d8j h GLY 11 N 0.40 0.47 0.89 -1.45 0.00 -1.93 0.69 103.07 102.14 1d8j h GLY 11 Ca 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 1d8j h GLY 11 CO 0.05 0.22 0.07 -2.08 0.00 0.00 0.00 176.54 174.81 1d8j h VAL 12 N 0.36 1.15 -0.63 4.60 2.07 -1.91 -0.01 116.25 121.87 1d8j h VAL 12 Ca 0.10 -0.45 0.02 0.00 0.82 0.00 0.00 66.70 67.20 1d8j h VAL 12 Cb 0.12 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 1d8j h VAL 12 CO -0.01 0.14 0.40 0.25 0.02 0.00 0.00 177.57 178.37 1d8j h LEU 13 N 0.13 0.67 -0.55 2.57 5.85 -1.05 -0.51 115.31 122.43 1d8j h LEU 13 Ca 0.06 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1d8j h LEU 13 Cb 0.16 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1d8j h LEU 13 CO -0.01 0.48 0.29 0.00 -0.34 0.00 0.00 178.44 178.86 1d8j h ALA 14 N 1.25 0.70 -0.37 1.25 0.00 -0.62 -0.17 119.26 121.30 1d8j h ALA 14 Ca 0.24 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1d8j h ALA 14 Cb -0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1d8j h ALA 14 CO -0.08 0.23 0.23 0.87 0.00 0.00 0.00 179.25 180.50 1d8j h LYS 15 N 0.73 0.45 -0.08 0.00 1.79 -0.43 0.20 116.57 119.24 1d8j h LYS 15 Ca 0.19 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1d8j h LYS 15 Cb 0.07 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1d8j h LYS 15 CO -0.03 0.30 0.05 0.82 -1.08 0.00 0.00 179.45 179.50 1d8j h ILE 16 N 0.46 1.08 -0.40 1.86 2.04 -0.80 0.82 117.51 122.56 1d8j h ILE 16 Ca 0.14 -0.22 0.03 0.00 1.00 0.00 0.00 64.86 65.82 1d8j h ILE 16 Cb -0.02 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 1d8j h ILE 16 CO -0.05 0.07 0.19 0.58 0.00 0.00 0.00 178.15 178.93 1d8j h VAL 17 N 0.05 0.95 -0.51 1.67 2.07 -0.78 0.03 116.25 119.74 1d8j h VAL 17 Ca 0.03 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.35 1d8j h VAL 17 Cb 0.07 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1d8j h VAL 17 CO -0.00 0.07 0.04 0.78 0.02 0.00 0.00 177.57 178.48 1d8j h ASN 18 N 0.38 0.84 0.85 0.57 4.21 -0.77 0.17 115.58 121.82 1d8j h ASN 18 Ca 0.17 -0.28 -0.04 0.00 1.21 0.00 0.00 56.30 57.36 1d8j h ASN 18 Cb 0.10 -0.22 0.01 0.00 -1.12 0.00 0.00 38.32 37.08 1d8j h ASN 18 CO -0.14 0.91 -0.41 0.22 -1.29 0.00 0.00 177.43 176.73 1d8j h TYR 19 N 0.73 -1.06 -0.65 1.19 3.20 -0.45 -0.08 116.97 119.86 1d8j h TYR 19 Ca 0.15 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.07 1d8j h TYR 19 Cb 0.46 0.35 -0.06 0.00 1.54 0.00 0.00 36.73 39.01 1d8j h TYR 19 CO 0.03 -0.66 0.33 0.52 -1.64 0.00 0.00 178.16 176.75 1d8j h MET 20 N -1.15 0.57 -0.61 1.82 2.86 -0.99 -1.42 114.93 116.02 1d8j h MET 20 Ca -0.12 -0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.56 1d8j h MET 20 Cb 0.88 -0.13 -0.06 0.00 0.06 0.00 0.00 31.60 32.34 1d8j h MET 20 CO 0.19 0.38 0.28 -0.22 1.06 0.00 0.00 176.91 178.60 1d8j h LYS 21 N 0.59 0.49 0.34 1.72 3.64 -0.78 0.68 116.57 123.25 1d8j h LYS 21 Ca 0.31 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.64 1d8j h LYS 21 Cb 0.27 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1d8j h LYS 21 CO -0.23 0.33 -0.16 1.15 -2.27 0.00 0.00 179.45 178.27 1d8j h THR 22 N 0.51 0.68 -0.06 1.00 2.02 0.05 0.13 112.91 117.24 1d8j h THR 22 Ca 0.29 -0.27 -0.05 0.00 0.77 0.00 0.00 66.41 67.15 1d8j h THR 22 Cb 0.28 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1d8j h THR 22 CO -0.24 0.06 -0.20 0.08 0.37 0.00 0.00 175.52 175.59 1d8j h ARG 23 N -0.61 0.10 -0.58 6.66 0.11 -1.23 0.23 114.38 119.06 1d8j h ARG 23 Ca -0.05 -0.02 -0.10 0.00 0.10 0.00 0.00 59.98 59.91 1d8j h ARG 23 Cb 0.44 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.49 1d8j h ARG 23 CO 0.08 0.30 -0.02 1.25 0.10 0.00 0.00 179.97 181.68 1d8j h HIS 24 N 0.10 1.14 -0.54 4.08 2.76 -0.63 -0.11 115.15 121.95 1d8j h HIS 24 Ca 0.02 -0.21 -0.07 0.00 -2.20 0.00 0.00 60.37 57.91 1d8j h HIS 24 Cb 0.41 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 29.05 1d8j h HIS 24 CO 0.00 1.02 0.07 1.96 -1.30 0.00 0.00 177.93 179.69 1d8j h GLN 25 N 0.94 0.90 0.52 5.26 4.20 0.28 -3.23 115.11 123.97 1d8j h GLN 25 Ca 0.16 -0.25 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1d8j h GLN 25 Cb 0.58 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.26 1d8j h GLN 25 CO 0.03 0.88 -0.25 0.00 -0.67 0.00 0.00 178.83 178.83 1d8j h ARG 26 N 0.79 -0.67 0.00 1.46 3.08 -0.75 -3.47 114.38 114.82 1d8j h ARG 26 Ca 0.16 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1d8j h ARG 26 Cb 0.43 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1d8j h ARG 26 CO 0.01 -0.41 0.00 0.41 -1.07 0.00 0.00 179.97 178.91 1d8j n GLY 27 N -1.16 0.24 2.98 0.04 0.00 -0.51 -5.04 105.19 101.73 1d8j n GLY 27 Ca -0.12 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 3.40 0.00 1.61 9.92 -0.17 -4.62 116.55 126.69 1d8j n ASP 28 Ca 0.00 -2.78 0.12 0.00 -0.53 0.00 0.00 54.79 51.60 1d8j n ASP 28 Cb 0.00 -1.46 0.52 0.00 -0.64 0.00 0.00 41.12 39.54 1d8j n ASP 28 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1d8j n THR 29 N 5.68 0.34 -1.23 -3.53 -2.24 -1.26 -3.53 114.28 108.51 1d8j n THR 29 Ca 0.50 0.08 -0.33 0.00 -2.27 0.00 0.00 64.05 62.04 1d8j n THR 29 Cb 0.40 -0.67 0.11 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 -2.96 2.01 0.69 4.78 -3.43 -1.26 -4.67 115.29 110.45 1d8j s HIS 30 Ca 0.13 1.65 -0.11 0.00 -0.80 0.00 0.00 55.06 55.92 1d8j s HIS 30 Cb 0.16 -3.38 0.00 0.00 -1.43 0.00 0.00 32.58 27.93 1d8j s HIS 30 CO 0.43 -2.54 1.07 -1.25 -2.00 0.00 0.00 174.74 170.45 1d8j s PRO 31 N -4.22 3.00 0.03 -0.38 0.04 -1.26 -4.83 135.00 127.38 1d8j s PRO 31 Ca 0.71 0.72 0.03 0.00 0.04 0.00 0.00 61.00 62.50 1d8j s PRO 31 Cb -0.26 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.25 1d8j s PRO 31 CO 0.50 -1.00 -0.11 -0.51 0.04 0.00 0.00 177.00 175.92 1d8j s LEU 32 N -5.42 2.14 1.11 -3.56 1.43 0.19 -4.78 118.68 109.80 1d8j s LEU 32 Ca 0.58 -0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 53.18 1d8j s LEU 32 Cb -0.12 -0.43 0.26 0.00 0.03 0.00 0.00 46.19 45.92 1d8j s LEU 32 CO 0.54 -0.00 1.05 0.42 0.23 0.00 0.00 176.35 178.59 1d8j s THR 33 N -0.75 2.03 0.13 5.49 -4.23 -1.26 -0.48 115.64 116.56 1d8j s THR 33 Ca -0.01 0.01 -0.20 0.00 -1.18 0.00 0.00 61.69 60.31 1d8j s THR 33 Cb -0.07 -2.05 -0.03 0.00 1.34 0.00 0.00 72.50 71.70 1d8j s THR 33 CO 0.01 -0.01 1.70 0.25 -0.54 0.00 0.00 174.62 176.03 1d8j h LEU 34 N -2.49 -0.19 -0.11 4.79 7.12 -1.96 -1.14 115.31 121.33 1d8j h LEU 34 Ca -0.58 0.06 0.00 0.00 0.13 0.00 0.00 57.88 57.50 1d8j h LEU 34 Cb 1.32 0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 41.57 1d8j h LEU 34 CO 0.48 -0.07 0.06 0.44 -0.13 0.00 0.00 178.44 179.22 1d8j h ASP 35 N -0.00 0.09 -0.69 1.25 5.19 -1.99 0.27 116.42 120.54 1d8j h ASP 35 Ca 0.10 0.00 0.12 0.00 -0.62 0.00 0.00 57.03 56.63 1d8j h ASP 35 Cb 0.15 -0.02 -0.04 0.00 0.18 0.00 0.00 39.33 39.60 1d8j h ASP 35 CO -0.21 0.07 0.46 -0.33 -3.12 0.00 0.00 179.24 176.11 1d8j h GLU 36 N 0.12 0.42 0.01 3.56 5.08 -1.81 -1.98 114.58 119.97 1d8j h GLU 36 Ca 0.04 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1d8j h GLU 36 Cb 0.00 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1d8j h GLU 36 CO -0.03 0.27 -0.01 0.82 -1.00 0.00 0.00 179.01 179.07 1d8j h ILE 37 N 0.43 1.54 -0.62 3.13 2.04 -0.59 -3.33 117.51 120.10 1d8j h ILE 37 Ca 0.33 -1.78 0.11 0.00 1.00 0.00 0.00 64.86 64.51 1d8j h ILE 37 Cb 0.69 2.73 -0.12 0.00 -0.74 0.00 0.00 36.82 39.38 1d8j h ILE 37 CO -0.10 0.45 -0.34 -0.07 0.00 0.00 0.00 178.15 178.09 1d8j h LEU 38 N -0.80 -1.19 -0.23 1.44 3.38 -0.25 -1.33 115.31 116.33 1d8j h LEU 38 Ca -0.00 0.23 0.04 0.00 0.09 0.00 0.00 57.88 58.24 1d8j h LEU 38 Cb 0.75 0.59 -0.07 0.00 0.09 0.00 0.00 40.66 42.02 1d8j h LEU 38 CO 0.00 -0.30 -0.52 -0.78 0.09 0.00 0.00 178.44 176.92 1d8j h ASP 39 N -0.15 -1.69 -0.78 -0.43 3.58 -1.54 -0.48 116.42 114.93 1d8j h ASP 39 Ca 0.24 0.21 0.01 0.00 0.42 0.00 0.00 57.03 57.91 1d8j h ASP 39 Cb 0.55 0.68 -0.04 0.00 1.72 0.00 0.00 39.33 42.24 1d8j h ASP 39 CO -0.70 -0.45 0.52 -0.33 -2.88 0.00 0.00 179.24 175.39 1d8j h GLU 40 N -0.50 1.02 -0.11 0.28 4.39 -1.55 -0.51 114.58 117.60 1d8j h GLU 40 Ca 0.06 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1d8j h GLU 40 Cb 0.65 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1d8j h GLU 40 CO -0.49 0.68 0.00 0.25 -1.16 0.00 0.00 179.01 178.29 1d8j n THR 41 N -4.42 0.09 0.00 1.13 -2.24 -0.51 -4.92 114.28 103.42 1d8j n THR 41 Ca 0.09 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1d8j n THR 41 Cb 0.03 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 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 -0.29 0.00 -1.56 -0.78 6.02 -0.20 -4.90 117.38 115.66 1d8j n GLN 42 Ca 0.02 0.00 -0.48 0.00 -0.01 0.00 0.00 57.00 56.53 1d8j n GLN 42 Cb 0.07 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.28 1d8j n GLN 42 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1d8j n HIS 43 N 0.00 1.93 -0.00 1.08 1.44 -1.23 -4.70 115.22 113.73 1d8j n HIS 43 Ca 0.00 0.08 -0.00 0.00 -2.01 0.00 0.00 57.72 55.79 1d8j n HIS 43 Cb 0.00 -2.63 -0.00 0.00 0.12 0.00 0.00 29.99 27.48 1d8j n HIS 43 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 1d8j n LEU 44 N 9.41 1.23 -0.06 2.39 0.00 -1.26 -4.28 117.00 124.43 1d8j n LEU 44 Ca 0.32 -0.00 -0.20 0.00 0.00 0.00 0.00 56.01 56.13 1d8j n LEU 44 Cb 0.31 -0.00 -0.13 0.00 0.00 0.00 0.00 43.42 43.60 1d8j n LEU 44 CO 0.72 0.20 -1.04 -0.67 0.00 0.00 0.00 177.39 176.61 1d8j n ASP 45 N -2.20 2.05 0.00 1.96 2.03 -1.26 -5.01 116.55 114.12 1d8j n ASP 45 Ca -0.00 0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.40 1d8j n ASP 45 Cb 0.50 -0.69 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 1d8j n ASP 45 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1d8j n ILE 46 N -3.47 0.00 -4.11 5.18 5.41 -1.26 -4.56 119.36 116.54 1d8j n ILE 46 Ca -0.38 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.22 1d8j n ILE 46 Cb 1.00 0.00 -0.13 0.00 -0.71 0.00 0.00 39.64 39.80 1d8j n ILE 46 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1d8j s GLY 47 N -0.34 0.33 0.25 7.39 0.00 -1.26 -5.02 107.32 108.67 1d8j s GLY 47 Ca 0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 44.72 44.27 1d8j s GLY 47 CO 0.00 -0.40 1.70 -2.00 0.00 0.00 0.00 173.10 172.39 1d8j h LEU 48 N 5.48 0.08 -0.40 0.66 5.85 -2.00 0.95 115.31 125.93 1d8j h LEU 48 Ca -0.30 0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.58 1d8j h LEU 48 Cb 1.20 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.36 1d8j h LEU 48 CO 0.47 -0.01 0.21 0.50 -0.34 0.00 0.00 178.44 179.27 1d8j h LYS 49 N 0.31 0.42 0.55 1.25 3.64 -1.97 -1.32 116.57 119.45 1d8j h LYS 49 Ca 0.42 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.75 1d8j h LYS 49 Cb 0.70 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.43 1d8j h LYS 49 CO -0.48 0.27 -0.27 1.96 -2.27 0.00 0.00 179.45 178.66 1d8j h GLN 50 N 0.43 -0.72 -0.87 1.90 7.50 -1.32 0.13 115.11 122.16 1d8j h GLN 50 Ca 0.17 0.05 0.18 0.00 0.50 0.00 0.00 58.65 59.55 1d8j h GLN 50 Cb 0.06 0.16 -0.16 0.00 0.05 0.00 0.00 27.48 27.59 1d8j h GLN 50 CO -0.11 -0.48 -0.19 -0.22 -1.50 0.00 0.00 178.83 176.34 1d8j h LYS 51 N -0.89 0.01 0.17 1.46 3.64 -0.91 0.23 116.57 120.27 1d8j h LYS 51 Ca -0.08 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1d8j h LYS 51 Cb 0.57 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1d8j h LYS 51 CO 0.13 0.00 -0.08 0.37 -2.27 0.00 0.00 179.45 177.60 1d8j h GLN 52 N 0.01 -0.22 -0.62 1.90 5.75 -1.25 -2.77 115.11 117.92 1d8j h GLN 52 Ca 0.43 0.01 0.11 0.00 -0.15 0.00 0.00 58.65 59.05 1d8j h GLN 52 Cb 0.68 0.05 -0.08 0.00 1.07 0.00 0.00 27.48 29.20 1d8j h GLN 52 CO -0.88 0.06 0.19 2.35 -2.65 0.00 0.00 178.83 177.91 1d8j h TRP 53 N -0.49 0.33 -0.38 3.99 7.01 0.59 -1.47 115.95 125.52 1d8j h TRP 53 Ca -0.02 0.03 0.04 0.00 2.11 0.00 0.00 58.89 61.05 1d8j h TRP 53 Cb 0.38 -0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.35 1d8j h TRP 53 CO 0.01 0.04 0.15 -0.07 -2.79 0.00 0.00 178.44 175.79 1d8j h LEU 54 N 0.35 0.19 -0.19 0.65 3.38 -0.59 0.60 115.31 119.70 1d8j h LEU 54 Ca 0.32 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.30 1d8j h LEU 54 Cb 0.44 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1d8j h LEU 54 CO -0.36 0.15 0.03 -0.03 0.09 0.00 0.00 178.44 178.32 1d8j h MET 55 N 0.32 0.31 -0.77 1.13 4.05 -1.01 -0.59 114.93 118.38 1d8j h MET 55 Ca 0.17 -0.09 -0.54 0.00 -0.28 0.00 0.00 59.70 58.97 1d8j h MET 55 Cb 0.13 -0.04 -0.43 0.00 -0.80 0.00 0.00 31.60 30.46 1d8j h MET 55 CO -0.16 0.48 -0.83 -2.37 0.23 0.00 0.00 176.91 174.26 1d8j n THR 56 N -4.75 2.47 0.06 -0.77 5.66 -0.69 -4.71 114.28 111.55 1d8j n THR 56 Ca -0.04 -4.20 0.00 0.00 -3.05 0.00 0.00 64.05 56.76 1d8j n THR 56 Cb 0.19 -1.05 0.00 0.00 -1.55 0.00 0.00 70.33 67.92 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 -0.69 0.00 0.42 1.09 2.13 0.02 -4.95 120.64 118.65 1d8j n GLU 57 Ca 0.42 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 58.06 1d8j n GLU 57 Cb 0.95 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.57 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 -1.27 -0.07 4.31 0.00 -1.13 0.15 119.26 121.25 1d8j h ALA 58 Ca 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1d8j h ALA 58 Cb 0.00 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1d8j h ALA 58 CO 0.00 -1.21 0.05 1.28 0.00 0.00 0.00 179.25 179.37 1d8j n LEU 59 N -5.26 3.66 0.00 0.00 4.77 -0.23 -1.81 117.00 118.13 1d8j n LEU 59 Ca -0.14 -1.81 0.00 0.00 -0.03 0.00 0.00 56.01 54.04 1d8j n LEU 59 Cb 0.46 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1d8j n LEU 59 CO 0.33 0.63 -0.14 0.52 -1.33 0.00 0.00 177.39 177.39 1d8j n VAL 60 N 0.54 0.00 -0.03 4.08 0.31 -0.93 -4.74 118.33 117.57 1d8j n VAL 60 Ca 0.04 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.28 1d8j n VAL 60 Cb 0.57 -0.16 -0.14 0.00 -0.91 0.00 0.00 33.84 33.20 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 -1.81 0.83 -4.66 4.52 0.23 0.48 -4.90 115.26 109.94 1d8j n ASN 61 Ca 0.00 0.36 -0.47 0.00 -0.53 0.00 0.00 54.58 53.94 1d8j n ASN 61 Cb 0.14 0.03 -0.04 0.00 -2.08 0.00 0.00 39.78 37.82 1d8j n ASN 61 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1d8j n ASN 62 N -3.03 3.52 0.19 0.53 2.85 -0.75 -4.85 115.26 113.72 1d8j n ASN 62 Ca -0.20 0.89 0.06 0.00 -0.11 0.00 0.00 54.58 55.23 1d8j n ASN 62 Cb 1.06 -1.41 0.56 0.00 1.24 0.00 0.00 39.78 41.23 1d8j n ASN 62 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1d8j h PRO 63 N 9.99 0.13 -0.15 1.20 0.13 -1.91 -1.54 132.00 139.85 1d8j h PRO 63 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1d8j h PRO 63 Cb 1.27 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1d8j h PRO 63 CO 0.95 0.13 0.00 1.63 -0.23 0.00 0.00 178.00 180.48 1d8j n LYS 64 N -4.47 1.21 -4.46 0.86 5.02 -1.26 -4.70 118.16 110.35 1d8j n LYS 64 Ca -0.02 -0.30 -0.21 0.00 -2.02 0.00 0.00 58.31 55.76 1d8j n LYS 64 Cb 0.12 -1.10 -0.14 0.00 -0.02 0.00 0.00 35.03 33.89 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 -1.84 1.12 -0.10 -0.18 -1.09 -0.58 -0.61 121.20 117.92 1d8j s ILE 65 Ca 0.06 -0.86 -0.07 0.00 -2.23 0.00 0.00 60.65 57.55 1d8j s ILE 65 Cb 0.03 -0.98 0.03 0.00 -1.58 0.00 0.00 42.46 39.96 1d8j s ILE 65 CO 0.04 0.12 0.24 -0.70 -1.23 0.00 0.00 174.94 173.41 1d8j s GLU 66 N -0.85 0.25 -0.06 2.79 2.12 0.07 -4.72 118.70 118.30 1d8j s GLU 66 Ca 0.03 0.42 -0.20 0.00 0.36 0.00 0.00 54.97 55.58 1d8j s GLU 66 Cb -0.07 0.03 -0.04 0.00 0.26 0.00 0.00 34.13 34.30 1d8j s GLU 66 CO 0.01 -0.09 0.57 0.08 -0.54 0.00 0.00 175.26 175.29 1d8j s VAL 67 N 0.62 5.06 -0.11 3.70 1.01 -1.26 -0.94 120.40 128.47 1d8j s VAL 67 Ca -0.04 1.17 -0.13 0.00 0.00 0.00 0.00 61.98 62.98 1d8j s VAL 67 Cb -0.05 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1d8j s VAL 67 CO -0.04 0.34 -0.26 -0.38 0.00 0.00 0.00 175.10 174.77 1d8j n ILE 68 N 3.34 1.33 -2.97 2.22 2.08 -1.01 -4.94 119.36 119.41 1d8j n ILE 68 Ca -0.06 0.21 -0.13 0.00 0.56 0.00 0.00 62.75 63.33 1d8j n ILE 68 Cb 0.51 -2.13 -0.02 0.00 -0.75 0.00 0.00 39.64 37.25 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 -4.12 -2.12 0.00 4.38 2.03 -1.26 -4.94 116.55 110.52 1d8j n ASP 69 Ca -0.10 -2.85 0.00 0.00 0.52 0.00 0.00 54.79 52.36 1d8j n ASP 69 Cb 0.38 0.89 0.00 0.00 -0.72 0.00 0.00 41.12 41.68 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 2.40 1.09 3.87 0.27 0.00 -1.26 -4.95 105.19 106.60 1d8j n GLY 70 Ca 0.19 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 3.81 -0.14 1.61 1.02 -1.26 -4.71 119.74 120.06 1d8j s LYS 71 Ca 0.00 0.52 -0.04 0.00 0.02 0.00 0.00 55.97 56.47 1d8j s LYS 71 Cb 0.00 -2.38 -0.03 0.00 -0.52 0.00 0.00 37.83 34.90 1d8j s LYS 71 CO 0.00 -0.04 -0.01 0.71 -0.92 0.00 0.00 175.35 175.09 1d8j s TYR 72 N -2.35 3.09 0.15 3.18 1.51 0.37 -2.41 117.35 120.88 1d8j s TYR 72 Ca 0.52 -0.13 0.10 0.00 -1.01 0.00 0.00 57.07 56.56 1d8j s TYR 72 Cb -0.10 -1.94 -0.04 0.00 -0.11 0.00 0.00 41.96 39.77 1d8j s TYR 72 CO 0.30 0.11 -0.24 0.00 -1.11 0.00 0.00 175.55 174.61 1d8j s ALA 73 N 0.09 2.30 -0.15 3.71 0.00 -0.11 -0.63 121.76 126.96 1d8j s ALA 73 Ca 0.01 -1.49 -0.29 0.00 0.00 0.00 0.00 51.96 50.19 1d8j s ALA 73 Cb -0.13 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 1d8j s ALA 73 CO 0.02 0.45 1.26 0.12 0.00 0.00 0.00 175.76 177.60 1d8j s PHE 74 N -1.36 2.89 -0.16 0.00 2.19 -1.26 -0.75 117.98 119.52 1d8j s PHE 74 Ca 0.15 1.03 -0.29 0.00 0.33 0.00 0.00 56.93 58.15 1d8j s PHE 74 Cb -0.09 -3.49 -0.00 0.00 -1.31 0.00 0.00 43.02 38.12 1d8j s PHE 74 CO 0.07 -1.66 1.00 0.21 1.83 0.00 0.00 175.22 176.67 1d8j s LYS 75 N 3.34 4.35 0.01 10.12 2.20 0.22 -4.88 119.74 135.11 1d8j s LYS 75 Ca 0.55 1.35 -0.30 0.00 -0.36 0.00 0.00 55.97 57.21 1d8j s LYS 75 Cb -0.22 -3.58 -0.08 0.00 -1.51 0.00 0.00 37.83 32.44 1d8j s LYS 75 CO 0.15 -0.43 1.83 -1.25 -0.36 0.00 0.00 175.35 175.29 1d8j s PRO 76 N 2.46 4.16 -0.18 4.03 0.04 -1.26 -4.69 135.00 139.56 1d8j s PRO 76 Ca 0.46 2.44 -0.29 0.00 0.04 0.00 0.00 61.00 63.65 1d8j s PRO 76 Cb -0.17 -4.02 -0.00 0.00 0.04 0.00 0.00 34.50 30.35 1d8j s PRO 76 CO 0.13 -0.89 1.10 0.21 0.04 0.00 0.00 177.00 177.59 1d8j s LYS 77 N 4.06 4.28 -1.04 4.56 2.20 -1.26 -4.93 119.74 127.61 1d8j s LYS 77 Ca 0.82 1.46 -0.21 0.00 -0.36 0.00 0.00 55.97 57.67 1d8j s LYS 77 Cb -0.39 -3.65 -0.09 0.00 -1.51 0.00 0.00 37.83 32.18 1d8j s LYS 77 CO 0.36 -0.59 1.93 2.48 -0.36 0.00 0.00 175.35 179.17 1d8j n TYR 78 N 6.12 2.63 0.00 4.03 4.11 -1.26 -2.93 117.16 129.86 1d8j n TYR 78 Ca 0.12 -1.86 0.00 0.00 -0.00 0.00 0.00 57.90 56.16 1d8j n TYR 78 Cb 0.46 -2.24 0.00 0.00 -0.00 0.00 0.00 39.34 37.57 1d8j n TYR 78 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.86 175.15 1d8j n ASN 79 N 10.26 0.00 -0.73 9.48 2.85 -1.26 -4.94 115.26 130.92 1d8j n ASN 79 Ca 0.48 0.00 0.06 0.00 -0.11 0.00 0.00 54.58 55.01 1d8j n ASN 79 Cb 0.43 0.33 0.17 0.00 1.24 0.00 0.00 39.78 41.95 1d8j n ASN 79 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1d8j n VAL 80 N -2.27 1.75 -1.18 3.44 0.31 -1.18 -5.32 118.33 113.88 1d8j n VAL 80 Ca 0.00 -2.72 0.00 0.00 -0.01 0.00 0.00 64.34 61.61 1d8j n VAL 80 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1d8j n VAL 80 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37