#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 0.10 -1.41 0.00 2.34 -1.26 -4.95 118.68 113.51 1d8j s LEU 2 Ca 0.00 -0.46 -0.08 0.00 0.06 0.00 0.00 54.13 53.65 1d8j s LEU 2 Cb 0.00 2.11 0.04 0.00 -0.56 0.00 0.00 46.19 47.78 1d8j s LEU 2 CO 0.00 -1.03 0.98 -0.24 -1.06 0.00 0.00 176.35 175.00 1d8j n SER 3 N -0.33 -4.14 -4.62 1.48 2.88 -1.26 -4.88 113.62 102.75 1d8j n SER 3 Ca -0.11 -0.71 -0.43 0.00 -1.33 0.00 0.00 58.87 56.29 1d8j n SER 3 Cb 0.63 -4.34 -0.03 0.00 -0.75 0.00 0.00 64.21 59.72 1d8j n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1d8j s GLY 4 N -3.65 1.09 0.22 0.46 0.00 -1.26 -4.95 107.32 99.23 1d8j s GLY 4 Ca 0.43 0.36 -0.20 0.00 0.00 0.00 0.00 44.72 45.31 1d8j s GLY 4 CO 0.79 3.06 0.62 -0.56 0.00 0.00 0.00 173.10 177.02 1d8j s SER 5 N 4.75 -0.35 0.00 1.64 0.01 -1.26 -5.17 113.70 113.32 1d8j s SER 5 Ca 0.73 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.60 1d8j s SER 5 Cb -0.23 0.64 0.00 0.00 0.21 0.00 0.00 66.02 66.64 1d8j s SER 5 CO 0.31 -1.14 0.00 -0.24 0.41 0.00 0.00 173.24 172.57 1d8j n SER 6 N -0.40 0.00 -2.70 2.44 2.88 -1.26 -5.06 113.62 109.52 1d8j n SER 6 Ca -0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 1d8j n SER 6 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 1d8j n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1d8j n GLY 7 N 5.00 -1.90 0.95 0.46 0.00 -1.26 -4.85 105.19 103.59 1d8j n GLY 7 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.63 -2.61 0.00 1.61 4.19 -1.26 -4.70 117.16 112.76 1d8j n TYR 8 Ca 0.00 1.40 0.00 0.00 3.31 0.00 0.00 57.90 62.61 1d8j n TYR 8 Cb 0.00 -2.47 0.00 0.00 0.49 0.00 0.00 39.34 37.36 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 -1.17 0.00 -0.03 2.98 2.85 -1.26 -4.42 118.16 117.11 1d8j n LYS 9 Ca 0.00 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.11 1d8j n LYS 9 Cb 0.05 -0.06 -0.11 0.00 -0.65 0.00 0.00 35.03 34.26 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 0.23 -0.49 5.58 0.04 -1.89 -1.70 116.94 118.72 1d8j h PHE 10 Ca 0.00 -0.12 -0.01 0.00 2.80 0.00 0.00 57.97 60.63 1d8j h PHE 10 Cb 0.00 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 1d8j h PHE 10 CO 0.00 0.91 0.26 0.78 -0.60 0.00 0.00 178.31 179.66 1d8j h GLY 11 N -0.51 0.74 0.94 -1.45 0.00 -1.92 -0.73 103.07 100.15 1d8j h GLY 11 Ca -0.03 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 1d8j h GLY 11 CO 0.04 0.34 0.06 -2.08 0.00 0.00 0.00 176.54 174.90 1d8j h VAL 12 N 0.65 1.24 -0.31 4.60 2.07 -1.90 -0.80 116.25 121.81 1d8j h VAL 12 Ca 0.17 -0.89 0.01 0.00 0.82 0.00 0.00 66.70 66.82 1d8j h VAL 12 Cb 0.08 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1d8j h VAL 12 CO -0.03 0.31 0.18 0.25 0.02 0.00 0.00 177.57 178.30 1d8j h LEU 13 N 0.53 0.28 -0.70 2.57 5.85 -1.08 0.99 115.31 123.76 1d8j h LEU 13 Ca 0.12 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.87 1d8j h LEU 13 Cb 0.38 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1d8j h LEU 13 CO 0.01 0.21 0.45 0.00 -0.34 0.00 0.00 178.44 178.77 1d8j h ALA 14 N 1.14 0.90 -0.60 1.25 0.00 -0.97 0.46 119.26 121.45 1d8j h ALA 14 Ca 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1d8j h ALA 14 Cb 0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1d8j h ALA 14 CO -0.07 0.26 0.34 -0.22 0.00 0.00 0.00 179.25 179.57 1d8j h LYS 15 N 0.90 0.83 -0.40 0.00 3.64 -0.53 -0.37 116.57 120.64 1d8j h LYS 15 Ca 0.27 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1d8j h LYS 15 Cb -0.04 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 1d8j h LYS 15 CO -0.08 0.62 0.23 0.82 -2.27 0.00 0.00 179.45 178.77 1d8j h ILE 16 N 0.82 1.14 -0.27 2.00 2.04 -0.16 0.16 117.51 123.25 1d8j h ILE 16 Ca 0.21 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.74 1d8j h ILE 16 Cb 0.02 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1d8j h ILE 16 CO -0.04 0.15 0.11 0.58 0.00 0.00 0.00 178.15 178.95 1d8j h VAL 17 N 0.53 0.95 -0.68 1.67 2.07 -0.51 0.89 116.25 121.17 1d8j h VAL 17 Ca 0.14 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 1d8j h VAL 17 Cb 0.03 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1d8j h VAL 17 CO -0.02 0.04 0.36 0.78 0.02 0.00 0.00 177.57 178.75 1d8j h ASN 18 N 0.24 0.86 0.83 0.57 2.35 -0.80 0.10 115.58 119.73 1d8j h ASN 18 Ca 0.12 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 1d8j h ASN 18 Cb 0.07 -0.22 0.01 0.00 0.05 0.00 0.00 38.32 38.23 1d8j h ASN 18 CO -0.10 0.72 -0.40 0.22 -1.65 0.00 0.00 177.43 176.21 1d8j h TYR 19 N 0.93 -1.04 -0.88 1.19 3.20 -0.48 -0.92 116.97 118.98 1d8j h TYR 19 Ca 0.24 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.19 1d8j h TYR 19 Cb 0.06 0.34 -0.06 0.00 1.54 0.00 0.00 36.73 38.61 1d8j h TYR 19 CO -0.00 -0.64 0.57 1.98 -1.64 0.00 0.00 178.16 178.42 1d8j h MET 20 N -1.14 0.80 -0.12 1.82 4.05 -0.71 0.14 114.93 119.77 1d8j h MET 20 Ca -0.11 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.26 1d8j h MET 20 Cb 0.86 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.48 1d8j h MET 20 CO 0.19 0.53 0.07 -0.22 0.23 0.00 0.00 176.91 177.70 1d8j h LYS 21 N 0.82 0.16 -0.46 0.39 3.64 -0.58 0.14 116.57 120.69 1d8j h LYS 21 Ca 0.41 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.76 1d8j h LYS 21 Cb 0.48 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1d8j h LYS 21 CO -0.18 0.16 0.22 1.15 -2.27 0.00 0.00 179.45 178.53 1d8j h THR 22 N 0.12 1.18 -0.23 1.00 2.02 0.28 0.15 112.91 117.44 1d8j h THR 22 Ca 0.04 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 1d8j h THR 22 Cb 0.04 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1d8j h THR 22 CO -0.01 0.20 0.13 -0.09 0.37 0.00 0.00 175.52 176.12 1d8j h ARG 23 N 0.59 0.32 0.37 6.66 2.43 -0.58 0.23 114.38 124.40 1d8j h ARG 23 Ca 0.16 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1d8j h ARG 23 Cb 0.12 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1d8j h ARG 23 CO -0.02 0.29 -0.18 1.25 -1.51 0.00 0.00 179.97 179.80 1d8j h HIS 24 N 0.27 -0.46 -0.40 2.20 2.76 -0.57 -1.25 115.15 117.70 1d8j h HIS 24 Ca 0.08 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.28 1d8j h HIS 24 Cb 0.06 0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.15 1d8j h HIS 24 CO -0.04 -0.19 0.27 0.37 -1.30 0.00 0.00 177.93 177.03 1d8j h GLN 25 N -0.65 0.37 0.17 5.26 5.75 -0.63 -2.63 115.11 122.75 1d8j h GLN 25 Ca -0.05 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.42 1d8j h GLN 25 Cb 0.47 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.94 1d8j h GLN 25 CO 0.08 0.24 -0.08 -0.09 -2.65 0.00 0.00 178.83 176.33 1d8j h ARG 26 N 0.38 -0.22 0.00 1.69 2.43 -0.30 -3.48 114.38 114.88 1d8j h ARG 26 Ca 0.17 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1d8j h ARG 26 Cb 0.19 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1d8j h ARG 26 CO -0.04 0.10 0.00 0.41 -1.51 0.00 0.00 179.97 178.93 1d8j n GLY 27 N -0.28 0.31 2.86 2.80 0.00 -0.73 -5.04 105.19 105.12 1d8j n GLY 27 Ca -0.09 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 3.44 0.12 1.61 9.92 -0.55 -4.60 116.55 126.48 1d8j n ASP 28 Ca 0.00 -2.76 0.13 0.00 -0.53 0.00 0.00 54.79 51.62 1d8j n ASP 28 Cb 0.00 -1.43 0.43 0.00 -0.64 0.00 0.00 41.12 39.47 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 5.41 0.67 -1.36 -3.53 -2.24 -1.26 -3.61 114.28 108.36 1d8j n THR 29 Ca 0.51 -0.15 -0.34 0.00 -2.27 0.00 0.00 64.05 61.80 1d8j n THR 29 Cb 0.39 -0.74 0.10 0.00 -2.10 0.00 0.00 70.33 67.98 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 -3.16 1.98 0.80 4.78 -3.43 -1.26 -4.79 115.29 110.20 1d8j s HIS 30 Ca 0.09 1.61 -0.12 0.00 -0.80 0.00 0.00 55.06 55.84 1d8j s HIS 30 Cb 0.11 -3.50 0.08 0.00 -1.43 0.00 0.00 32.58 27.84 1d8j s HIS 30 CO 0.55 -2.71 1.15 -1.25 -2.00 0.00 0.00 174.74 170.47 1d8j s PRO 31 N -3.94 1.85 0.03 -0.38 0.05 -1.26 -4.89 135.00 126.46 1d8j s PRO 31 Ca 0.75 1.51 0.02 0.00 0.05 0.00 0.00 61.00 63.33 1d8j s PRO 31 Cb -0.30 -1.82 -0.02 0.00 0.05 0.00 0.00 34.50 32.41 1d8j s PRO 31 CO 0.46 -2.01 -0.07 -0.51 0.05 0.00 0.00 177.00 174.92 1d8j s LEU 32 N -5.81 2.20 1.02 -3.56 1.43 -0.08 -4.93 118.68 108.95 1d8j s LEU 32 Ca 0.68 -0.44 -0.13 0.00 -1.03 0.00 0.00 54.13 53.20 1d8j s LEU 32 Cb -0.23 -0.19 0.20 0.00 0.03 0.00 0.00 46.19 45.99 1d8j s LEU 32 CO 0.52 -0.14 1.11 0.42 0.23 0.00 0.00 176.35 178.48 1d8j s THR 33 N -1.08 1.94 0.07 5.49 -4.23 -1.26 -0.85 115.64 115.73 1d8j s THR 33 Ca -0.07 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.14 1d8j s THR 33 Cb -0.08 -2.54 -0.18 0.00 1.34 0.00 0.00 72.50 71.04 1d8j s THR 33 CO 0.00 0.00 1.64 0.25 -0.54 0.00 0.00 174.62 175.98 1d8j h LEU 34 N -1.96 -0.57 -0.23 4.79 7.12 -1.94 -2.27 115.31 120.25 1d8j h LEU 34 Ca -0.53 0.01 0.06 0.00 0.13 0.00 0.00 57.88 57.55 1d8j h LEU 34 Cb 1.33 0.15 -0.06 0.00 -0.53 0.00 0.00 40.66 41.54 1d8j h LEU 34 CO 0.55 -0.40 -0.18 0.44 -0.13 0.00 0.00 178.44 178.72 1d8j h ASP 35 N -0.68 -0.59 -0.96 1.25 5.19 -1.99 -0.48 116.42 118.16 1d8j h ASP 35 Ca -0.07 0.12 0.20 0.00 -0.62 0.00 0.00 57.03 56.65 1d8j h ASP 35 Cb 0.52 0.29 -0.09 0.00 0.18 0.00 0.00 39.33 40.23 1d8j h ASP 35 CO 0.11 -0.22 0.61 -0.33 -3.12 0.00 0.00 179.24 176.29 1d8j h GLU 36 N -0.18 0.58 -0.06 3.56 5.08 -1.91 -0.23 114.58 121.42 1d8j h GLU 36 Ca 0.13 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1d8j h GLU 36 Cb 0.38 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1d8j h GLU 36 CO -0.34 0.38 -0.05 0.82 -1.00 0.00 0.00 179.01 178.82 1d8j h ILE 37 N 0.60 1.36 -0.18 3.13 2.04 -0.54 -3.28 117.51 120.64 1d8j h ILE 37 Ca 0.53 -1.17 0.05 0.00 1.00 0.00 0.00 64.86 65.27 1d8j h ILE 37 Cb 1.03 2.01 -0.05 0.00 -0.74 0.00 0.00 36.82 39.06 1d8j h ILE 37 CO -0.28 0.32 -0.17 -0.07 0.00 0.00 0.00 178.15 177.96 1d8j h LEU 38 N -0.28 -0.54 -0.36 1.44 3.38 0.34 -2.72 115.31 116.57 1d8j h LEU 38 Ca 0.01 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.12 1d8j h LEU 38 Cb 0.54 0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.50 1d8j h LEU 38 CO 0.01 -0.21 -0.28 0.44 0.09 0.00 0.00 178.44 178.49 1d8j h ASP 39 N -0.19 -0.99 -0.49 -0.43 5.19 -1.24 0.26 116.42 118.52 1d8j h ASP 39 Ca 0.11 0.14 0.05 0.00 -0.62 0.00 0.00 57.03 56.72 1d8j h ASP 39 Cb 0.36 0.43 -0.05 0.00 0.18 0.00 0.00 39.33 40.25 1d8j h ASP 39 CO -0.29 -0.15 0.22 -0.33 -3.12 0.00 0.00 179.24 175.57 1d8j h GLU 40 N -0.09 0.43 0.00 3.56 3.07 -1.61 -0.28 114.58 119.65 1d8j h GLU 40 Ca 0.06 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1d8j h GLU 40 Cb 0.24 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 1d8j h GLU 40 CO -0.38 0.28 0.00 2.41 -1.40 0.00 0.00 179.01 179.92 1d8j n THR 41 N -4.93 0.50 -3.12 1.13 -1.04 -0.74 -4.87 114.28 101.20 1d8j n THR 41 Ca 0.04 0.12 -0.14 0.00 -2.04 0.00 0.00 64.05 62.04 1d8j n THR 41 Cb 0.15 -0.82 0.05 0.00 -1.82 0.00 0.00 70.33 67.89 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 -1.31 -4.70 -1.48 -2.82 6.02 0.72 -4.95 117.38 108.86 1d8j n GLN 42 Ca 0.08 0.50 -0.03 0.00 -0.01 0.00 0.00 57.00 57.55 1d8j n GLN 42 Cb 0.15 -4.54 0.10 0.00 1.02 0.00 0.00 30.24 26.97 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 -3.84 0.84 -0.01 1.08 8.25 -0.04 -4.85 115.22 116.65 1d8j n HIS 43 Ca -0.02 -1.53 -0.12 0.00 -0.26 0.00 0.00 57.72 55.79 1d8j n HIS 43 Cb 0.55 -0.24 -0.07 0.00 1.12 0.00 0.00 29.99 31.34 1d8j n HIS 43 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1d8j h LEU 44 N 1.52 0.09 -3.28 2.41 6.46 -1.88 -2.68 115.31 117.96 1d8j h LEU 44 Ca 0.01 -0.20 -0.24 0.00 -0.12 0.00 0.00 57.88 57.34 1d8j h LEU 44 Cb 1.38 -0.02 -0.11 0.00 -0.73 0.00 0.00 40.66 41.18 1d8j h LEU 44 CO 0.23 0.26 0.31 -0.67 -0.62 0.00 0.00 178.44 177.95 1d8j n ASP 45 N -4.94 5.83 -4.78 1.25 2.03 -1.26 -4.94 116.55 109.74 1d8j n ASP 45 Ca -0.06 -2.87 -0.35 0.00 0.52 0.00 0.00 54.79 52.03 1d8j n ASP 45 Cb 0.13 -1.02 -0.02 0.00 -0.72 0.00 0.00 41.12 39.49 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 -1.67 3.44 0.19 5.18 2.07 -1.01 -4.94 121.20 124.45 1d8j s ILE 46 Ca 0.23 0.91 -0.33 0.00 -1.41 0.00 0.00 60.65 60.06 1d8j s ILE 46 Cb 0.18 -3.38 -0.15 0.00 0.13 0.00 0.00 42.46 39.25 1d8j s ILE 46 CO 0.00 -0.17 1.35 0.61 -1.91 0.00 0.00 174.94 174.82 1d8j n GLY 47 N 0.02 0.56 0.38 1.50 0.00 -1.26 -4.73 105.19 101.66 1d8j n GLY 47 Ca 0.10 0.55 0.14 0.00 0.00 0.00 0.00 46.02 46.82 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 4.24 0.49 -0.55 0.99 5.85 -1.98 -0.03 115.31 124.32 1d8j h LEU 48 Ca -0.45 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.38 1d8j h LEU 48 Cb 1.30 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.20 1d8j h LEU 48 CO 0.76 0.25 0.19 0.11 -0.34 0.00 0.00 178.44 179.42 1d8j h LYS 49 N 0.52 0.36 -0.05 1.25 1.57 -1.99 0.11 116.57 118.33 1d8j h LYS 49 Ca 0.40 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.13 1d8j h LYS 49 Cb 0.79 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 1d8j h LYS 49 CO -0.15 0.24 -0.06 1.96 -0.57 0.00 0.00 179.45 180.87 1d8j h GLN 50 N 0.37 0.12 -0.80 3.15 4.20 -1.40 -1.32 115.11 119.43 1d8j h GLN 50 Ca 0.27 -0.07 0.17 0.00 0.06 0.00 0.00 58.65 59.08 1d8j h GLN 50 Cb 0.31 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 27.99 1d8j h GLN 50 CO -0.28 0.60 0.30 -0.22 -0.67 0.00 0.00 178.83 178.57 1d8j h LYS 51 N -0.34 0.39 0.25 1.46 3.64 -0.77 0.16 116.57 121.36 1d8j h LYS 51 Ca 0.01 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1d8j h LYS 51 Cb 0.58 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1d8j h LYS 51 CO 0.01 0.26 -0.12 0.37 -2.27 0.00 0.00 179.45 177.70 1d8j h GLN 52 N 0.40 -0.33 -1.00 1.90 4.15 -0.79 -3.12 115.11 116.33 1d8j h GLN 52 Ca 0.46 0.02 0.20 0.00 0.77 0.00 0.00 58.65 60.10 1d8j h GLN 52 Cb 0.76 0.07 -0.11 0.00 0.21 0.00 0.00 27.48 28.42 1d8j h GLN 52 CO -0.46 0.03 0.60 2.35 -1.93 0.00 0.00 178.83 179.42 1d8j h TRP 53 N -0.80 1.05 -0.97 3.99 7.01 -0.54 0.88 115.95 126.57 1d8j h TRP 53 Ca -0.03 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1d8j h TRP 53 Cb 0.51 -0.31 -0.05 0.00 -2.10 0.00 0.00 29.16 27.21 1d8j h TRP 53 CO 0.05 0.21 0.62 -0.07 -2.79 0.00 0.00 178.44 176.46 1d8j h LEU 54 N 0.73 1.13 -0.88 0.65 3.38 -0.72 -0.48 115.31 119.13 1d8j h LEU 54 Ca 0.58 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.51 1d8j h LEU 54 Cb 0.93 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1d8j h LEU 54 CO -0.40 0.84 -0.04 0.23 0.09 0.00 0.00 178.44 179.16 1d8j n MET 55 N -4.37 1.52 -0.24 1.13 2.81 0.17 -1.69 117.12 116.44 1d8j n MET 55 Ca 0.11 -0.88 0.03 0.00 -1.81 0.00 0.00 57.70 55.15 1d8j n MET 55 Cb 0.03 -1.48 0.04 0.00 -0.71 0.00 0.00 33.22 31.09 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 0.03 0.62 0.00 2.03 -2.24 -0.43 -4.79 114.28 109.50 1d8j n THR 56 Ca 0.18 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1d8j n THR 56 Cb 0.35 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 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 -0.45 0.00 0.00 -0.78 4.07 -0.24 -4.97 120.64 118.27 1d8j n GLU 57 Ca 0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.14 1d8j n GLU 57 Cb 0.60 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.98 1d8j n GLU 57 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1d8j n ALA 58 N -2.06 0.00 0.33 4.31 0.00 -1.09 -1.74 120.51 120.26 1d8j n ALA 58 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.65 1d8j n ALA 58 Cb 0.00 0.03 1.13 0.00 0.00 0.00 0.00 19.45 20.61 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 0.00 -0.46 0.00 3.38 -1.60 0.01 115.31 116.64 1d8j h LEU 59 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1d8j h LEU 59 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1d8j h LEU 59 CO 0.00 0.00 -0.18 0.58 0.09 0.00 0.00 178.44 178.93 1d8j h VAL 60 N 0.00 1.27 -1.04 1.22 2.07 -1.63 -3.39 116.25 114.75 1d8j h VAL 60 Ca 0.00 -1.33 -0.36 0.00 0.82 0.00 0.00 66.70 65.83 1d8j h VAL 60 Cb 0.08 1.15 -0.33 0.00 -1.52 0.00 0.00 31.29 30.67 1d8j h VAL 60 CO -0.00 0.46 -0.97 -0.46 0.02 0.00 0.00 177.57 176.62 1d8j n ASN 61 N -4.17 0.23 -4.76 0.57 6.94 -0.57 -4.85 115.26 108.66 1d8j n ASN 61 Ca -0.00 -2.90 -0.36 0.00 -0.02 0.00 0.00 54.58 51.30 1d8j n ASN 61 Cb 0.43 -0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.77 1d8j n ASN 61 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1d8j s ASN 62 N -2.36 6.00 0.24 0.53 3.84 -0.11 -4.92 114.94 118.15 1d8j s ASN 62 Ca 0.30 0.27 -0.05 0.00 0.21 0.00 0.00 52.86 53.59 1d8j s ASN 62 Cb 0.39 -1.96 0.43 0.00 -0.55 0.00 0.00 41.25 39.56 1d8j s ASN 62 CO -0.03 0.29 1.72 -0.65 -2.79 0.00 0.00 177.10 175.64 1d8j h PRO 63 N 5.82 0.37 -0.11 0.43 0.11 -1.98 0.01 132.00 136.66 1d8j h PRO 63 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1d8j h PRO 63 Cb 1.19 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1d8j h PRO 63 CO 0.65 0.25 0.00 1.63 -0.21 0.00 0.00 178.00 180.31 1d8j n LYS 64 N -5.05 1.28 -4.32 1.05 5.02 -1.26 -4.78 118.16 110.11 1d8j n LYS 64 Ca 0.13 -0.43 -0.25 0.00 -2.02 0.00 0.00 58.31 55.75 1d8j n LYS 64 Cb 0.41 -1.14 -0.12 0.00 -0.02 0.00 0.00 35.03 34.15 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 -1.85 1.86 -0.01 -0.18 -1.09 -0.01 -1.04 121.20 118.87 1d8j s ILE 65 Ca 0.13 -1.65 0.02 0.00 -2.23 0.00 0.00 60.65 56.91 1d8j s ILE 65 Cb 0.06 -1.70 -0.00 0.00 -1.58 0.00 0.00 42.46 39.24 1d8j s ILE 65 CO 0.09 -0.07 -0.07 -0.70 -1.23 0.00 0.00 174.94 172.97 1d8j s GLU 66 N -2.08 0.59 -0.26 2.79 2.56 0.77 -4.57 118.70 118.51 1d8j s GLU 66 Ca 0.10 -0.22 -0.14 0.00 0.00 0.00 0.00 54.97 54.70 1d8j s GLU 66 Cb -0.09 -0.58 -0.04 0.00 2.00 0.00 0.00 34.13 35.42 1d8j s GLU 66 CO 0.05 0.12 0.31 0.08 -0.56 0.00 0.00 175.26 175.26 1d8j s VAL 67 N -0.01 5.23 -0.04 3.70 1.01 -1.26 -0.79 120.40 128.23 1d8j s VAL 67 Ca 0.01 0.46 0.01 0.00 0.00 0.00 0.00 61.98 62.46 1d8j s VAL 67 Cb -0.04 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.71 1d8j s VAL 67 CO -0.00 0.21 -0.05 -0.63 0.00 0.00 0.00 175.10 174.63 1d8j s ILE 68 N 1.79 0.54 -1.20 2.22 1.09 -0.99 -4.83 121.20 119.82 1d8j s ILE 68 Ca 0.13 -0.14 -0.03 0.00 -1.10 0.00 0.00 60.65 59.51 1d8j s ILE 68 Cb -0.15 -0.55 0.02 0.00 -1.06 0.00 0.00 42.46 40.71 1d8j s ILE 68 CO 0.09 0.22 0.18 0.47 -0.10 0.00 0.00 174.94 175.80 1d8j n ASP 69 N 3.93 -4.19 0.00 3.58 8.00 -1.26 -0.09 116.55 126.51 1d8j n ASP 69 Ca -0.25 -0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.25 1d8j n ASP 69 Cb 0.51 -3.51 0.00 0.00 -0.02 0.00 0.00 41.12 38.10 1d8j n ASP 69 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1d8j n GLY 70 N -0.98 2.94 1.29 0.44 0.00 -1.26 -5.00 105.19 102.63 1d8j n GLY 70 Ca -0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 1d8j n GLY 70 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1d8j n LYS 71 N -2.00 0.07 -4.75 1.61 4.76 0.86 -4.98 118.16 113.73 1d8j n LYS 71 Ca 0.00 -0.82 -0.24 0.00 -2.87 0.00 0.00 58.31 54.37 1d8j n LYS 71 Cb 0.00 -0.31 -0.16 0.00 -1.84 0.00 0.00 35.03 32.72 1d8j n LYS 71 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1d8j s TYR 72 N -1.29 1.50 0.08 2.13 2.02 -0.03 -2.35 117.35 119.42 1d8j s TYR 72 Ca 0.23 -0.36 0.03 0.00 -0.37 0.00 0.00 57.07 56.60 1d8j s TYR 72 Cb -0.01 -1.00 -0.03 0.00 -0.40 0.00 0.00 41.96 40.52 1d8j s TYR 72 CO 0.16 -0.10 -0.09 0.00 -1.57 0.00 0.00 175.55 173.95 1d8j s ALA 73 N -0.12 0.94 -0.07 3.71 0.00 0.03 -0.91 121.76 125.34 1d8j s ALA 73 Ca 0.01 -1.08 -0.30 0.00 0.00 0.00 0.00 51.96 50.59 1d8j s ALA 73 Cb -0.09 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 1d8j s ALA 73 CO 0.01 -0.05 1.12 0.12 0.00 0.00 0.00 175.76 176.96 1d8j s PHE 74 N -2.25 3.34 -0.22 0.00 2.19 -1.26 -0.16 117.98 119.62 1d8j s PHE 74 Ca 0.01 1.38 -0.29 0.00 0.33 0.00 0.00 56.93 58.36 1d8j s PHE 74 Cb -0.04 -3.32 -0.01 0.00 -1.31 0.00 0.00 43.02 38.34 1d8j s PHE 74 CO -0.01 -0.85 1.37 0.21 1.83 0.00 0.00 175.22 177.77 1d8j s LYS 75 N 2.04 4.01 0.88 10.12 2.20 -0.21 -4.78 119.74 134.01 1d8j s LYS 75 Ca 0.53 1.52 -0.12 0.00 -0.36 0.00 0.00 55.97 57.54 1d8j s LYS 75 Cb -0.22 -3.88 0.12 0.00 -1.51 0.00 0.00 37.83 32.34 1d8j s LYS 75 CO 0.21 -1.00 1.12 -1.25 -0.36 0.00 0.00 175.35 174.07 1d8j s PRO 76 N 4.03 1.36 0.06 4.03 0.04 -1.26 -4.81 135.00 138.46 1d8j s PRO 76 Ca 0.60 0.41 0.26 0.00 0.04 0.00 0.00 61.00 62.31 1d8j s PRO 76 Cb -0.21 -1.85 0.64 0.00 0.04 0.00 0.00 34.50 33.12 1d8j s PRO 76 CO 0.22 -2.07 1.53 1.63 0.04 0.00 0.00 177.00 178.35 1d8j n LYS 77 N -3.70 0.12 -0.94 4.56 5.02 -1.26 -4.93 118.16 117.02 1d8j n LYS 77 Ca 0.07 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1d8j n LYS 77 Cb 0.58 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 1d8j n LYS 77 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1d8j n TYR 78 N -1.77 0.00 -1.70 2.13 4.01 -1.26 -4.91 117.16 113.66 1d8j n TYR 78 Ca 0.05 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.39 1d8j n TYR 78 Cb 0.38 -0.59 -0.01 0.00 -0.31 0.00 0.00 39.34 38.81 1d8j n TYR 78 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1d8j n ASN 79 N -0.20 7.05 0.06 7.72 5.15 -1.26 -4.60 115.26 129.17 1d8j n ASN 79 Ca 0.00 -2.84 -0.08 0.00 -0.60 0.00 0.00 54.58 51.06 1d8j n ASN 79 Cb 0.10 -1.52 0.07 0.00 -0.53 0.00 0.00 39.78 37.90 1d8j n ASN 79 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 1d8j h VAL 80 N 3.22 1.38 0.00 3.44 3.04 -2.03 -3.55 116.25 121.74 1d8j h VAL 80 Ca 0.70 -2.03 0.00 0.00 -1.01 0.00 0.00 66.70 64.36 1d8j h VAL 80 Cb 0.41 2.02 0.00 0.00 -2.01 0.00 0.00 31.29 31.71 1d8j h VAL 80 CO 1.72 0.61 0.00 -1.14 -1.01 0.00 0.00 177.57 177.74