#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 3.43 -0.48 0.00 1.02 -1.26 -4.82 118.68 116.57 1d8j s LEU 2 Ca 0.00 1.73 0.05 0.00 0.02 0.00 0.00 54.13 55.93 1d8j s LEU 2 Cb 0.00 -3.36 0.22 0.00 0.02 0.00 0.00 46.19 43.07 1d8j s LEU 2 CO 0.00 -2.09 0.86 -1.54 0.02 0.00 0.00 176.35 173.60 1d8j n SER 3 N 12.28 -2.94 -2.79 2.29 3.41 -1.26 -5.02 113.62 119.59 1d8j n SER 3 Ca 0.30 -2.85 -0.10 0.00 -0.26 0.00 0.00 58.87 55.97 1d8j n SER 3 Cb 0.47 1.64 0.06 0.00 -0.26 0.00 0.00 64.21 66.11 1d8j n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1d8j n GLY 4 N 2.29 1.69 7.00 5.00 0.00 -1.26 -5.14 105.19 114.77 1d8j n GLY 4 Ca 0.13 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1d8j n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1d8j n SER 5 N -0.08 -4.45 -4.25 1.61 2.88 -1.26 -4.87 113.62 103.20 1d8j n SER 5 Ca 0.08 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.32 1d8j n SER 5 Cb 0.78 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 64.41 1d8j n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1d8j s SER 6 N -4.00 3.23 -0.62 -3.46 0.01 -1.26 -5.00 113.70 102.60 1d8j s SER 6 Ca 0.00 0.38 -0.22 0.00 1.31 0.00 0.00 55.95 57.42 1d8j s SER 6 Cb 0.00 -0.51 0.07 0.00 0.21 0.00 0.00 66.02 65.79 1d8j s SER 6 CO 0.00 -2.67 0.90 -0.83 0.41 0.00 0.00 173.24 171.05 1d8j s GLY 7 N -4.78 1.46 -0.25 3.44 0.00 -1.26 -4.75 107.32 101.18 1d8j s GLY 7 Ca 0.72 -1.79 0.15 0.00 0.00 0.00 0.00 44.72 43.80 1d8j s GLY 7 CO 0.53 1.95 1.33 1.58 0.00 0.00 0.00 173.10 178.49 1d8j n TYR 8 N 7.36 -0.77 0.01 1.90 4.11 -1.26 -4.91 117.16 123.60 1d8j n TYR 8 Ca -0.04 -1.59 0.00 0.00 -0.00 0.00 0.00 57.90 56.27 1d8j n TYR 8 Cb 0.45 0.83 0.00 0.00 -0.00 0.00 0.00 39.34 40.62 1d8j n TYR 8 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.86 177.22 1d8j n LYS 9 N -0.96 0.00 -0.30 -3.48 2.85 -1.26 -4.97 118.16 110.04 1d8j n LYS 9 Ca -0.11 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.10 1d8j n LYS 9 Cb 0.85 0.00 0.08 0.00 -0.65 0.00 0.00 35.03 35.31 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 1.22 0.04 5.58 0.04 -1.92 -0.47 116.94 121.44 1d8j h PHE 10 Ca 0.00 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.70 1d8j h PHE 10 Cb 0.00 -0.37 0.00 0.00 2.20 0.00 0.00 35.95 37.78 1d8j h PHE 10 CO 0.00 0.90 -0.02 0.78 -0.60 0.00 0.00 178.31 179.37 1d8j h GLY 11 N 1.20 -0.05 0.97 -1.45 0.00 -1.93 0.37 103.07 102.17 1d8j h GLY 11 Ca 0.28 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.61 1d8j h GLY 11 CO -0.03 -0.02 0.22 -2.08 0.00 0.00 0.00 176.54 174.63 1d8j h VAL 12 N -0.16 1.20 -0.12 4.60 2.07 -1.90 -1.24 116.25 120.69 1d8j h VAL 12 Ca -0.01 -0.59 0.01 0.00 0.82 0.00 0.00 66.70 66.94 1d8j h VAL 12 Cb 0.15 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1d8j h VAL 12 CO 0.01 0.23 0.02 0.25 0.02 0.00 0.00 177.57 178.10 1d8j h LEU 13 N 0.65 0.01 -0.74 2.57 5.85 -0.95 -0.08 115.31 122.62 1d8j h LEU 13 Ca 0.17 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.95 1d8j h LEU 13 Cb 0.15 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 1d8j h LEU 13 CO -0.02 0.02 0.46 0.00 -0.34 0.00 0.00 178.44 178.56 1d8j h ALA 14 N 1.09 0.99 -0.47 1.25 0.00 -0.71 0.68 119.26 122.08 1d8j h ALA 14 Ca 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1d8j h ALA 14 Cb 0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1d8j h ALA 14 CO -0.07 0.21 0.23 -0.22 0.00 0.00 0.00 179.25 179.40 1d8j h LYS 15 N 0.87 0.68 -0.07 0.00 3.64 -0.77 -0.66 116.57 120.25 1d8j h LYS 15 Ca 0.31 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1d8j h LYS 15 Cb 0.08 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1d8j h LYS 15 CO -0.14 0.57 0.05 0.82 -2.27 0.00 0.00 179.45 178.48 1d8j h ILE 16 N 0.62 1.03 -0.63 2.00 2.04 -0.32 -0.11 117.51 122.13 1d8j h ILE 16 Ca 0.16 -0.06 0.10 0.00 1.00 0.00 0.00 64.86 66.07 1d8j h ILE 16 Cb 0.12 0.94 -0.08 0.00 -0.74 0.00 0.00 36.82 37.06 1d8j h ILE 16 CO -0.02 0.02 0.24 0.58 0.00 0.00 0.00 178.15 178.97 1d8j h VAL 17 N 0.09 0.75 -0.29 1.67 2.07 -0.61 0.41 116.25 120.34 1d8j h VAL 17 Ca 0.03 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 1d8j h VAL 17 Cb -0.00 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1d8j h VAL 17 CO -0.01 0.08 0.03 -1.13 0.02 0.00 0.00 177.57 176.56 1d8j h ASN 18 N 0.42 0.47 -0.88 0.57 -0.73 -0.67 0.11 115.58 114.86 1d8j h ASN 18 Ca 0.32 -0.28 -0.02 0.00 1.87 0.00 0.00 56.30 58.20 1d8j h ASN 18 Cb 0.42 -0.13 -0.04 0.00 0.27 0.00 0.00 38.32 38.84 1d8j h ASN 18 CO -0.32 0.63 0.48 0.22 -0.37 0.00 0.00 177.43 178.08 1d8j h TYR 19 N 0.29 1.22 -0.48 0.67 3.20 -0.49 -0.00 116.97 121.37 1d8j h TYR 19 Ca 0.08 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.84 1d8j h TYR 19 Cb 0.38 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 1d8j h TYR 19 CO 0.03 0.84 -0.04 0.52 -1.64 0.00 0.00 178.16 177.87 1d8j h MET 20 N 1.24 0.88 0.43 1.82 2.86 -0.74 -0.02 114.93 121.40 1d8j h MET 20 Ca 0.31 -0.30 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1d8j h MET 20 Cb 0.03 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 1d8j h MET 20 CO -0.05 0.94 -0.44 -0.22 1.06 0.00 0.00 176.91 178.21 1d8j h LYS 21 N 0.74 -0.85 -0.12 1.72 3.11 -0.12 0.72 116.57 121.76 1d8j h LYS 21 Ca 0.13 0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 58.02 1d8j h LYS 21 Cb 0.57 0.19 -0.01 0.00 -1.00 0.00 0.00 32.23 31.99 1d8j h LYS 21 CO 0.03 -0.57 0.05 1.15 -2.81 0.00 0.00 179.45 177.30 1d8j h THR 22 N -0.88 1.16 -0.30 1.00 2.02 -0.96 0.73 112.91 115.67 1d8j h THR 22 Ca -0.04 -0.47 -0.09 0.00 0.77 0.00 0.00 66.41 66.58 1d8j h THR 22 Cb 0.78 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 1d8j h THR 22 CO -0.07 0.14 -0.18 0.08 0.37 0.00 0.00 175.52 175.87 1d8j h ARG 23 N 0.04 0.54 -0.57 6.66 -0.00 -0.98 -1.58 114.38 118.50 1d8j h ARG 23 Ca 0.04 -0.18 -0.10 0.00 -0.00 0.00 0.00 59.98 59.74 1d8j h ARG 23 Cb 0.18 -0.05 -0.02 0.00 -0.00 0.00 0.00 29.97 30.08 1d8j h ARG 23 CO -0.00 0.70 -0.03 1.25 -0.00 0.00 0.00 179.97 181.88 1d8j h HIS 24 N 0.49 1.10 0.00 4.08 2.76 -0.72 -3.02 115.15 119.85 1d8j h HIS 24 Ca 0.08 -0.19 -0.32 0.00 -2.20 0.00 0.00 60.37 57.74 1d8j h HIS 24 Cb 0.59 -0.29 -0.04 0.00 1.55 0.00 0.00 27.41 29.22 1d8j h HIS 24 CO 0.02 0.99 0.95 0.94 -1.30 0.00 0.00 177.93 179.53 1d8j n GLN 25 N -4.17 2.36 0.00 5.26 7.27 0.24 -3.37 117.38 124.96 1d8j n GLN 25 Ca 0.03 -1.29 0.00 0.00 0.07 0.00 0.00 57.00 55.80 1d8j n GLN 25 Cb 0.36 -2.21 0.00 0.00 2.41 0.00 0.00 30.24 30.79 1d8j n GLN 25 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1d8j n ARG 26 N 2.90 0.00 0.00 3.69 3.00 -1.14 -4.90 116.66 120.21 1d8j n ARG 26 Ca 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.35 1d8j n ARG 26 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.11 1d8j n ARG 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1d8j n GLY 27 N -0.67 0.29 2.48 5.14 0.00 -1.22 -5.03 105.19 106.19 1d8j n GLY 27 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 6.69 -3.17 1.61 9.92 -1.22 -4.74 116.55 125.65 1d8j n ASP 28 Ca 0.00 -2.45 -0.36 0.00 -0.53 0.00 0.00 54.79 51.46 1d8j n ASP 28 Cb 0.00 -1.32 -0.03 0.00 -0.64 0.00 0.00 41.12 39.13 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 3.94 4.59 -4.08 -3.53 -2.24 -1.26 -4.27 114.28 107.43 1d8j n THR 29 Ca 0.61 -3.59 -0.10 0.00 -2.27 0.00 0.00 64.05 58.69 1d8j n THR 29 Cb 0.18 -2.07 -0.11 0.00 -2.10 0.00 0.00 70.33 66.23 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 -0.54 0.62 0.60 4.78 -3.43 -1.26 -5.06 115.29 110.99 1d8j s HIS 30 Ca 0.59 -0.74 -0.18 0.00 -0.80 0.00 0.00 55.06 53.93 1d8j s HIS 30 Cb 0.23 -0.39 -0.03 0.00 -1.43 0.00 0.00 32.58 30.96 1d8j s HIS 30 CO -0.11 -0.18 1.18 -1.25 -2.00 0.00 0.00 174.74 172.38 1d8j s PRO 31 N -2.65 2.99 0.01 -0.38 0.05 -1.26 -4.76 135.00 129.00 1d8j s PRO 31 Ca -0.02 1.73 0.01 0.00 0.05 0.00 0.00 61.00 62.77 1d8j s PRO 31 Cb -0.02 -1.94 -0.01 0.00 0.05 0.00 0.00 34.50 32.58 1d8j s PRO 31 CO -0.03 -1.17 -0.03 -0.51 0.05 0.00 0.00 177.00 175.31 1d8j s LEU 32 N -4.15 2.07 1.13 -3.56 1.43 -0.07 -4.84 118.68 110.69 1d8j s LEU 32 Ca 0.75 -0.18 -0.13 0.00 -1.03 0.00 0.00 54.13 53.55 1d8j s LEU 32 Cb -0.28 -0.08 0.26 0.00 0.03 0.00 0.00 46.19 46.13 1d8j s LEU 32 CO 0.33 -0.06 1.04 0.42 0.23 0.00 0.00 176.35 178.32 1d8j s THR 33 N -0.45 2.02 0.07 5.49 -4.23 -1.26 -0.73 115.64 116.56 1d8j s THR 33 Ca -0.03 0.01 -0.26 0.00 -1.18 0.00 0.00 61.69 60.23 1d8j s THR 33 Cb -0.04 -2.17 -0.16 0.00 1.34 0.00 0.00 72.50 71.47 1d8j s THR 33 CO -0.00 -0.01 1.66 0.25 -0.54 0.00 0.00 174.62 175.98 1d8j h LEU 34 N -2.47 -0.21 -0.87 4.79 6.46 -1.95 -1.73 115.31 119.33 1d8j h LEU 34 Ca -0.60 -0.03 0.01 0.00 -0.12 0.00 0.00 57.88 57.14 1d8j h LEU 34 Cb 1.33 0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 41.27 1d8j h LEU 34 CO 0.52 -0.11 0.58 0.44 -0.62 0.00 0.00 178.44 179.25 1d8j h ASP 35 N -0.29 1.00 -0.96 1.25 3.32 -1.99 0.37 116.42 119.12 1d8j h ASP 35 Ca -0.03 -0.02 0.07 0.00 0.02 0.00 0.00 57.03 57.07 1d8j h ASP 35 Cb 0.22 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 39.46 1d8j h ASP 35 CO 0.04 0.72 0.62 -0.33 -1.72 0.00 0.00 179.24 178.57 1d8j h GLU 36 N 1.18 1.05 -0.13 3.56 5.08 -1.87 -1.01 114.58 122.44 1d8j h GLU 36 Ca 0.32 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.59 1d8j h GLU 36 Cb -0.13 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 28.88 1d8j h GLU 36 CO -0.07 0.69 -0.02 0.82 -1.00 0.00 0.00 179.01 179.43 1d8j h ILE 37 N 1.08 1.28 -0.56 3.13 2.04 -0.25 -3.13 117.51 121.09 1d8j h ILE 37 Ca 0.42 -0.92 0.10 0.00 1.00 0.00 0.00 64.86 65.47 1d8j h ILE 37 Cb 0.24 1.63 -0.08 0.00 -0.74 0.00 0.00 36.82 37.86 1d8j h ILE 37 CO -0.17 0.27 0.09 -0.07 0.00 0.00 0.00 178.15 178.26 1d8j h LEU 38 N -0.05 -0.06 -0.11 1.44 3.38 -0.10 -1.02 115.31 118.79 1d8j h LEU 38 Ca 0.03 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.16 1d8j h LEU 38 Cb 0.42 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 1d8j h LEU 38 CO 0.01 -0.01 -0.40 -0.78 0.09 0.00 0.00 178.44 177.35 1d8j h ASP 39 N 0.21 -1.25 -0.29 -0.43 3.58 -1.17 0.33 116.42 117.40 1d8j h ASP 39 Ca 0.29 0.17 -0.05 0.00 0.42 0.00 0.00 57.03 57.85 1d8j h ASP 39 Cb 0.42 0.51 -0.01 0.00 1.72 0.00 0.00 39.33 41.97 1d8j h ASP 39 CO -0.40 -0.42 -0.03 -0.33 -2.88 0.00 0.00 179.24 175.18 1d8j h GLU 40 N -0.49 0.53 0.00 0.28 5.08 -1.42 -2.67 114.58 115.88 1d8j h GLU 40 Ca 0.07 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1d8j h GLU 40 Cb 0.62 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1d8j h GLU 40 CO -0.37 0.70 0.00 2.41 -1.00 0.00 0.00 179.01 180.74 1d8j n THR 41 N -4.55 0.23 -3.20 1.13 -1.04 -0.42 -4.90 114.28 101.54 1d8j n THR 41 Ca -0.03 0.06 -0.14 0.00 -2.04 0.00 0.00 64.05 61.90 1d8j n THR 41 Cb 0.28 -0.68 0.08 0.00 -1.82 0.00 0.00 70.33 68.18 1d8j n THR 41 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1d8j n GLN 42 N -1.24 -5.49 -2.53 -2.82 7.27 0.90 -4.96 117.38 108.51 1d8j n GLN 42 Ca 0.12 0.71 -0.15 0.00 0.07 0.00 0.00 57.00 57.76 1d8j n GLN 42 Cb 0.17 -5.33 0.02 0.00 2.41 0.00 0.00 30.24 27.52 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 -3.61 2.08 0.05 3.69 8.25 0.30 -4.84 115.22 121.13 1d8j n HIS 43 Ca -0.24 -2.62 -0.20 0.00 -0.26 0.00 0.00 57.72 54.40 1d8j n HIS 43 Cb 0.64 -0.26 -0.13 0.00 1.12 0.00 0.00 29.99 31.37 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 2.64 0.69 -2.28 2.41 4.07 -1.92 -3.13 115.31 117.78 1d8j h LEU 44 Ca 0.09 -0.83 -0.10 0.00 0.08 0.00 0.00 57.88 57.12 1d8j h LEU 44 Cb 1.20 -0.22 -0.06 0.00 1.08 0.00 0.00 40.66 42.67 1d8j h LEU 44 CO 0.57 1.44 0.12 -0.90 -1.08 0.00 0.00 178.44 178.59 1d8j n ASP 45 N -4.00 2.94 0.08 -0.43 5.75 -1.26 -4.27 116.55 115.35 1d8j n ASP 45 Ca -0.13 -2.35 0.02 0.00 -0.01 0.00 0.00 54.79 52.33 1d8j n ASP 45 Cb 0.85 -0.57 0.39 0.00 -1.03 0.00 0.00 41.12 40.75 1d8j n ASP 45 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1d8j h ILE 46 N 0.40 1.16 0.00 2.12 2.10 -1.92 -3.49 117.51 117.89 1d8j h ILE 46 Ca 0.12 -0.64 0.00 0.00 1.08 0.00 0.00 64.86 65.42 1d8j h ILE 46 Cb 1.31 1.01 0.00 0.00 -1.09 0.00 0.00 36.82 38.06 1d8j h ILE 46 CO 0.23 0.21 0.00 0.61 -1.08 0.00 0.00 178.15 178.12 1d8j n GLY 47 N -1.01 2.09 0.30 8.18 0.00 -1.26 -4.53 105.19 108.96 1d8j n GLY 47 Ca 0.00 -1.53 0.14 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.49 0.99 -0.00 -1.94 0.00 115.31 112.87 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 0.00 0.19 0.11 -0.00 0.00 0.00 178.44 178.74 1d8j h LYS 49 N 0.00 0.53 0.04 0.17 1.57 -1.99 0.14 116.57 117.02 1d8j h LYS 49 Ca 0.03 -0.05 -0.26 0.00 -1.87 0.00 0.00 60.65 58.50 1d8j h LYS 49 Cb 0.14 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1d8j h LYS 49 CO -0.00 0.41 -1.40 1.96 -0.57 0.00 0.00 179.45 179.85 1d8j h GLN 50 N 0.53 0.08 -0.57 3.15 4.20 -1.29 -3.26 115.11 117.95 1d8j h GLN 50 Ca 0.14 -0.13 0.04 0.00 0.06 0.00 0.00 58.65 58.76 1d8j h GLN 50 Cb 0.05 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.83 1d8j h GLN 50 CO -0.02 1.06 0.31 -0.22 -0.67 0.00 0.00 178.83 179.29 1d8j h LYS 51 N -0.72 0.58 -0.23 1.46 3.64 -1.12 0.17 116.57 120.34 1d8j h LYS 51 Ca -0.35 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.03 1d8j h LYS 51 Cb 1.49 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 33.14 1d8j h LYS 51 CO -0.12 0.38 0.02 0.37 -2.27 0.00 0.00 179.45 177.83 1d8j h GLN 52 N 0.59 0.09 0.03 1.90 -0.00 -0.89 0.53 115.11 117.36 1d8j h GLN 52 Ca 0.25 -0.01 0.01 0.00 -0.00 0.00 0.00 58.65 58.90 1d8j h GLN 52 Cb 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.57 1d8j h GLN 52 CO -0.15 0.06 -0.05 2.35 0.00 0.00 0.00 178.83 181.04 1d8j h TRP 53 N 0.10 -0.14 -0.84 3.99 7.01 -1.42 -2.30 115.95 122.35 1d8j h TRP 53 Ca 0.11 0.00 0.11 0.00 2.11 0.00 0.00 58.89 61.22 1d8j h TRP 53 Cb 0.13 0.06 -0.08 0.00 -2.10 0.00 0.00 29.16 27.16 1d8j h TRP 53 CO -0.18 -0.09 0.47 -0.07 -2.79 0.00 0.00 178.44 175.79 1d8j h LEU 54 N -0.11 0.65 0.77 0.65 3.38 -0.28 0.14 115.31 120.52 1d8j h LEU 54 Ca 0.01 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1d8j h LEU 54 Cb 0.12 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.82 1d8j h LEU 54 CO -0.04 0.35 -0.37 -0.03 0.09 0.00 0.00 178.44 178.44 1d8j h MET 55 N 0.76 -1.00 -0.01 1.13 4.05 -0.37 -1.00 114.93 118.48 1d8j h MET 55 Ca 0.42 0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.91 1d8j h MET 55 Cb 0.46 0.23 0.00 0.00 -0.80 0.00 0.00 31.60 31.48 1d8j h MET 55 CO -0.28 -0.67 -0.24 -2.37 0.23 0.00 0.00 176.91 173.58 1d8j n THR 56 N -5.33 0.00 0.01 -0.77 5.66 -0.95 -4.27 114.28 108.63 1d8j n THR 56 Ca -0.13 -0.38 -0.00 0.00 -3.05 0.00 0.00 64.05 60.49 1d8j n THR 56 Cb 0.41 1.24 -0.00 0.00 -1.55 0.00 0.00 70.33 70.43 1d8j n THR 56 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1d8j n GLU 57 N 0.19 0.02 0.05 1.09 1.02 0.26 -4.67 120.64 118.59 1d8j n GLU 57 Ca 0.08 0.01 -0.02 0.00 -0.02 0.00 0.00 57.16 57.20 1d8j n GLU 57 Cb 0.37 -0.20 -0.01 0.00 -0.02 0.00 0.00 31.44 31.58 1d8j n GLU 57 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1d8j h ALA 58 N -0.20 -0.98 -0.50 0.62 0.00 -0.95 -1.99 119.26 115.26 1d8j h ALA 58 Ca 0.00 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.94 1d8j h ALA 58 Cb 0.03 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1d8j h ALA 58 CO 0.00 -0.97 0.33 -0.07 0.00 0.00 0.00 179.25 178.54 1d8j h LEU 59 N -0.12 0.39 -1.08 0.00 3.38 -1.40 -0.30 115.31 116.17 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 0.09 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1d8j h LEU 59 CO 0.02 0.26 0.12 0.58 0.09 0.00 0.00 178.44 179.51 1d8j h VAL 60 N 0.45 1.22 -1.45 1.22 2.07 -1.73 -2.87 116.25 115.16 1d8j h VAL 60 Ca 0.21 -0.78 -0.65 0.00 0.82 0.00 0.00 66.70 66.31 1d8j h VAL 60 Cb 0.28 0.69 -0.36 0.00 -1.52 0.00 0.00 31.29 30.38 1d8j h VAL 60 CO -0.06 0.29 -0.03 0.59 0.02 0.00 0.00 177.57 178.39 1d8j n ASN 61 N -4.28 5.94 -4.14 0.57 3.02 -0.18 -4.97 115.26 111.22 1d8j n ASN 61 Ca 0.04 -3.77 -0.33 0.00 -0.03 0.00 0.00 54.58 50.49 1d8j n ASN 61 Cb 0.22 -0.68 -0.15 0.00 -0.61 0.00 0.00 39.78 38.56 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 -2.63 3.88 0.00 6.41 3.84 -0.84 -4.93 114.94 120.67 1d8j s ASN 62 Ca 0.52 -0.91 0.10 0.00 0.21 0.00 0.00 52.86 52.79 1d8j s ASN 62 Cb 0.43 -1.56 0.54 0.00 -0.55 0.00 0.00 41.25 40.10 1d8j s ASN 62 CO -0.19 -0.09 1.20 -0.81 -2.79 0.00 0.00 177.10 174.42 1d8j n PRO 63 N 4.59 0.18 -0.06 0.43 -0.04 -1.26 -1.95 135.00 136.88 1d8j n PRO 63 Ca -0.18 0.16 0.04 0.00 -0.04 0.00 0.00 63.50 63.48 1d8j n PRO 63 Cb 0.47 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.50 1d8j n PRO 63 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1d8j n LYS 64 N -1.24 1.43 -4.12 0.54 4.76 -1.26 -4.84 118.16 113.43 1d8j n LYS 64 Ca 0.05 -1.44 -0.15 0.00 -2.87 0.00 0.00 58.31 53.91 1d8j n LYS 64 Cb 0.07 -1.19 -0.14 0.00 -1.84 0.00 0.00 35.03 31.94 1d8j n LYS 64 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1d8j s ILE 65 N -0.85 0.41 -0.02 -0.18 1.09 -0.82 -0.63 121.20 120.20 1d8j s ILE 65 Ca 0.14 -0.40 0.03 0.00 -1.10 0.00 0.00 60.65 59.32 1d8j s ILE 65 Cb 0.08 -0.38 -0.00 0.00 -1.06 0.00 0.00 42.46 41.10 1d8j s ILE 65 CO 0.12 0.00 -0.10 -0.70 -0.10 0.00 0.00 174.94 174.16 1d8j s GLU 66 N -0.43 0.94 -0.09 2.79 2.56 0.58 -4.61 118.70 120.45 1d8j s GLU 66 Ca -0.01 -0.35 -0.30 0.00 0.00 0.00 0.00 54.97 54.32 1d8j s GLU 66 Cb -0.04 -0.89 -0.01 0.00 2.00 0.00 0.00 34.13 35.19 1d8j s GLU 66 CO -0.00 0.17 1.01 0.08 -0.56 0.00 0.00 175.26 175.95 1d8j s VAL 67 N 0.00 4.78 -0.10 3.70 1.01 -1.26 -0.59 120.40 127.95 1d8j s VAL 67 Ca -0.00 2.04 -0.02 0.00 0.00 0.00 0.00 61.98 63.99 1d8j s VAL 67 Cb -0.07 -4.31 0.04 0.00 0.00 0.00 0.00 36.38 32.04 1d8j s VAL 67 CO 0.00 0.02 0.04 -0.63 0.00 0.00 0.00 175.10 174.53 1d8j s ILE 68 N 1.90 0.17 -1.39 2.22 1.01 0.01 -4.85 121.20 120.26 1d8j s ILE 68 Ca 0.49 0.06 -0.06 0.00 0.00 0.00 0.00 60.65 61.14 1d8j s ILE 68 Cb -0.19 -0.50 0.03 0.00 0.01 0.00 0.00 42.46 41.81 1d8j s ILE 68 CO 0.19 0.06 0.85 -0.67 0.00 0.00 0.00 174.94 175.38 1d8j n ASP 69 N 5.20 -2.96 0.00 3.58 2.03 -1.26 -1.77 116.55 121.38 1d8j n ASP 69 Ca -0.06 -0.78 0.00 0.00 0.52 0.00 0.00 54.79 54.47 1d8j n ASP 69 Cb 0.49 -4.10 0.00 0.00 -0.72 0.00 0.00 41.12 36.80 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 -1.64 1.03 3.66 0.27 0.00 -1.26 -4.95 105.19 102.31 1d8j n GLY 70 Ca -0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 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 0.25 -0.18 1.61 1.02 -0.73 -4.92 119.74 116.80 1d8j s LYS 71 Ca 0.00 0.49 -0.03 0.00 0.02 0.00 0.00 55.97 56.45 1d8j s LYS 71 Cb 0.00 -1.72 -0.02 0.00 -0.52 0.00 0.00 37.83 35.58 1d8j s LYS 71 CO 0.00 -2.84 -0.07 0.71 -0.92 0.00 0.00 175.35 172.23 1d8j s TYR 72 N -2.95 2.93 -0.15 3.18 2.02 0.09 -0.81 117.35 121.67 1d8j s TYR 72 Ca 0.66 -0.68 -0.01 0.00 -0.37 0.00 0.00 57.07 56.66 1d8j s TYR 72 Cb -0.19 -1.99 -0.01 0.00 -0.40 0.00 0.00 41.96 39.37 1d8j s TYR 72 CO 0.58 -0.32 -0.12 0.00 -1.57 0.00 0.00 175.55 174.13 1d8j s ALA 73 N 0.85 2.65 0.01 3.71 0.00 0.25 -0.89 121.76 128.34 1d8j s ALA 73 Ca -0.02 -0.94 -0.30 0.00 0.00 0.00 0.00 51.96 50.70 1d8j s ALA 73 Cb -0.15 -1.30 -0.08 0.00 0.00 0.00 0.00 23.12 21.59 1d8j s ALA 73 CO 0.01 0.11 1.80 0.12 0.00 0.00 0.00 175.76 177.80 1d8j s PHE 74 N 0.57 1.75 -0.31 0.00 2.19 -1.26 -0.31 117.98 120.62 1d8j s PHE 74 Ca -0.07 -0.08 -0.29 0.00 0.33 0.00 0.00 56.93 56.81 1d8j s PHE 74 Cb -0.15 -4.08 0.01 0.00 -1.31 0.00 0.00 43.02 37.48 1d8j s PHE 74 CO 0.03 -4.65 1.20 0.21 1.83 0.00 0.00 175.22 173.84 1d8j s LYS 75 N 3.94 3.99 0.50 10.12 2.20 0.20 -4.87 119.74 135.81 1d8j s LYS 75 Ca 0.80 1.17 -0.23 0.00 -0.36 0.00 0.00 55.97 57.36 1d8j s LYS 75 Cb -0.39 -3.82 -0.06 0.00 -1.51 0.00 0.00 37.83 32.05 1d8j s LYS 75 CO 0.35 -1.02 1.27 -1.25 -0.36 0.00 0.00 175.35 174.35 1d8j s PRO 76 N 3.93 3.48 0.00 4.03 0.04 -1.26 -4.77 135.00 140.45 1d8j s PRO 76 Ca 0.51 2.04 -0.13 0.00 0.04 0.00 0.00 61.00 63.46 1d8j s PRO 76 Cb -0.15 -2.37 -0.33 0.00 0.04 0.00 0.00 34.50 31.69 1d8j s PRO 76 CO 0.20 -0.85 0.89 -0.22 0.04 0.00 0.00 177.00 177.05 1d8j h LYS 77 N 1.83 0.46 0.00 4.56 1.63 -1.97 -3.47 116.57 119.61 1d8j h LYS 77 Ca -0.50 -0.79 0.00 0.00 -0.85 0.00 0.00 60.65 58.51 1d8j h LYS 77 Cb 1.27 0.29 0.00 0.00 -0.60 0.00 0.00 32.23 33.20 1d8j h LYS 77 CO 0.59 1.37 0.00 0.66 -3.45 0.00 0.00 179.45 178.62 1d8j n TYR 78 N -3.65 -4.19 0.00 1.91 4.01 -1.26 -5.06 117.16 108.92 1d8j n TYR 78 Ca -0.19 1.32 0.00 0.00 -0.16 0.00 0.00 57.90 58.87 1d8j n TYR 78 Cb 1.09 3.22 0.00 0.00 -0.31 0.00 0.00 39.34 43.34 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 -3.39 0.00 -4.72 7.72 5.15 -1.26 -4.84 115.26 113.91 1d8j n ASN 79 Ca 0.00 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.56 1d8j n ASN 79 Cb 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.22 1d8j n ASN 79 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1d8j s VAL 80 N 0.00 3.38 0.00 3.44 1.01 -1.26 -5.24 120.40 121.72 1d8j s VAL 80 Ca 0.00 1.04 0.00 0.00 0.00 0.00 0.00 61.98 63.02 1d8j s VAL 80 Cb 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1d8j s VAL 80 CO 0.00 0.11 0.00 -1.14 0.00 0.00 0.00 175.10 174.07