#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 3.27 -1.25 0.00 2.96 -1.26 -4.90 118.68 117.51 1d8j s LEU 2 Ca 0.00 -0.50 -0.18 0.00 -0.22 0.00 0.00 54.13 53.23 1d8j s LEU 2 Cb 0.00 -2.55 -0.01 0.00 0.50 0.00 0.00 46.19 44.13 1d8j s LEU 2 CO 0.00 -2.11 1.99 -1.20 -1.32 0.00 0.00 176.35 173.72 1d8j n SER 3 N 11.17 3.82 -3.63 3.68 7.64 -1.26 -4.85 113.62 130.19 1d8j n SER 3 Ca 0.22 -2.81 -0.41 0.00 1.01 0.00 0.00 58.87 56.88 1d8j n SER 3 Cb 0.50 -1.59 -0.02 0.00 -1.01 0.00 0.00 64.21 62.08 1d8j n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1d8j n GLY 4 N 4.77 3.67 0.12 0.23 0.00 -1.26 -4.58 105.19 108.14 1d8j n GLY 4 Ca 0.50 -1.43 -0.01 0.00 0.00 0.00 0.00 46.02 45.07 1d8j n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1d8j h SER 5 N 6.64 0.00 0.00 1.61 0.87 -2.01 -3.37 113.55 117.29 1d8j h SER 5 Ca 0.53 0.00 -0.68 0.00 -1.23 0.00 0.00 61.79 60.42 1d8j h SER 5 Cb 0.60 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 1d8j h SER 5 CO 1.89 0.70 3.10 -0.24 -0.53 0.00 0.00 176.83 181.74 1d8j n SER 6 N -3.47 4.52 0.00 6.23 2.88 -1.26 -4.82 113.62 117.71 1d8j n SER 6 Ca 0.00 -2.74 0.00 0.00 -1.33 0.00 0.00 58.87 54.80 1d8j n SER 6 Cb 0.74 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.68 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 4.07 1.67 3.37 0.46 0.00 -1.26 -4.82 105.19 108.68 1d8j n GLY 7 Ca 0.56 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 0.00 0.00 0.00 1.61 9.36 -1.26 -3.23 117.16 123.64 1d8j n TYR 8 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1d8j n TYR 8 Cb 0.00 -1.74 0.00 0.00 -0.63 0.00 0.00 39.34 36.97 1d8j n TYR 8 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1d8j n LYS 9 N -0.29 0.00 -0.01 2.98 2.85 -1.26 -4.95 118.16 117.49 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 0.29 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.58 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 0.04 -0.32 5.58 0.04 -1.94 -0.74 116.94 119.59 1d8j h PHE 10 Ca 0.00 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.79 1d8j h PHE 10 Cb 0.00 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.11 1d8j h PHE 10 CO 0.00 0.39 0.14 0.78 -0.60 0.00 0.00 178.31 179.02 1d8j h GLY 11 N -0.33 0.42 0.82 -1.45 0.00 -1.91 0.11 103.07 100.73 1d8j h GLY 11 Ca 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 1d8j h GLY 11 CO 0.00 0.06 0.01 -2.08 0.00 0.00 0.00 176.54 174.53 1d8j h VAL 12 N 0.30 1.16 -0.33 4.60 2.07 -1.93 -1.10 116.25 121.02 1d8j h VAL 12 Ca 0.14 -0.48 0.04 0.00 0.82 0.00 0.00 66.70 67.22 1d8j h VAL 12 Cb 0.08 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 1d8j h VAL 12 CO -0.12 0.13 0.10 0.25 0.02 0.00 0.00 177.57 177.95 1d8j h LEU 13 N -0.13 0.10 -0.66 2.57 5.85 -0.90 0.65 115.31 122.78 1d8j h LEU 13 Ca 0.01 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1d8j h LEU 13 Cb 0.20 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1d8j h LEU 13 CO -0.00 0.09 0.36 0.00 -0.34 0.00 0.00 178.44 178.55 1d8j h ALA 14 N 1.22 0.85 -0.55 1.25 0.00 -0.90 0.12 119.26 121.25 1d8j h ALA 14 Ca 0.15 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1d8j h ALA 14 Cb 0.13 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1d8j h ALA 14 CO -0.16 0.37 0.11 -0.22 0.00 0.00 0.00 179.25 179.35 1d8j h LYS 15 N 0.91 0.90 0.00 0.00 3.64 -0.71 -1.25 116.57 120.07 1d8j h LYS 15 Ca 0.23 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1d8j h LYS 15 Cb 0.05 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1d8j h LYS 15 CO -0.04 0.86 -0.00 0.82 -2.27 0.00 0.00 179.45 178.82 1d8j h ILE 16 N 0.79 1.01 -0.66 2.00 2.04 -0.51 0.12 117.51 122.30 1d8j h ILE 16 Ca 0.17 -0.03 0.09 0.00 1.00 0.00 0.00 64.86 66.08 1d8j h ILE 16 Cb 0.38 1.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.42 1d8j h ILE 16 CO 0.01 0.01 0.30 0.58 0.00 0.00 0.00 178.15 179.05 1d8j h VAL 17 N -0.02 0.83 -0.29 1.67 2.07 -0.77 0.50 116.25 120.23 1d8j h VAL 17 Ca -0.00 -0.18 -0.17 0.00 0.82 0.00 0.00 66.70 67.17 1d8j h VAL 17 Cb 0.02 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1d8j h VAL 17 CO 0.00 0.10 -0.50 -1.13 0.02 0.00 0.00 177.57 176.06 1d8j h ASN 18 N 0.52 0.90 0.24 0.57 -1.24 -0.92 -1.61 115.58 114.04 1d8j h ASN 18 Ca 0.32 -0.46 -0.01 0.00 0.71 0.00 0.00 56.30 56.86 1d8j h ASN 18 Cb 0.35 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.15 1d8j h ASN 18 CO -0.27 1.24 -0.12 0.22 -1.29 0.00 0.00 177.43 177.21 1d8j h TYR 19 N 0.64 -0.30 -0.14 0.67 3.20 -0.14 -0.44 116.97 120.47 1d8j h TYR 19 Ca 0.03 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1d8j h TYR 19 Cb 1.09 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.45 1d8j h TYR 19 CO 0.06 -0.05 0.01 0.52 -1.64 0.00 0.00 178.16 177.07 1d8j h MET 20 N -0.53 0.20 0.43 1.82 2.86 -0.96 0.64 114.93 119.38 1d8j h MET 20 Ca -0.03 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1d8j h MET 20 Cb 0.39 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1d8j h MET 20 CO 0.05 0.21 -0.21 -0.22 1.06 0.00 0.00 176.91 177.81 1d8j h LYS 21 N 0.20 -0.55 -0.98 1.72 3.11 -1.00 0.13 116.57 119.19 1d8j h LYS 21 Ca 0.05 0.04 0.06 0.00 -2.81 0.00 0.00 60.65 57.99 1d8j h LYS 21 Cb 0.13 0.13 -0.07 0.00 -1.00 0.00 0.00 32.23 31.42 1d8j h LYS 21 CO 0.00 -0.25 0.63 1.15 -2.81 0.00 0.00 179.45 178.17 1d8j h THR 22 N -0.87 1.09 0.08 1.00 2.02 -0.79 0.22 112.91 115.66 1d8j h THR 22 Ca -0.06 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 66.72 1d8j h THR 22 Cb 0.56 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 1d8j h THR 22 CO 0.10 0.21 -0.04 0.03 0.37 0.00 0.00 175.52 176.19 1d8j h ARG 23 N 1.15 -0.10 0.00 6.66 2.47 -0.79 -1.54 114.38 122.23 1d8j h ARG 23 Ca 0.42 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 59.14 1d8j h ARG 23 Cb 0.15 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.49 1d8j h ARG 23 CO -0.17 -0.03 -0.02 1.25 0.56 0.00 0.00 179.97 181.56 1d8j h HIS 24 N -0.15 0.00 -0.29 3.04 2.76 -0.09 0.85 115.15 121.27 1d8j h HIS 24 Ca -0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1d8j h HIS 24 Cb 0.12 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.08 1d8j h HIS 24 CO -0.06 0.02 0.00 0.94 -1.30 0.00 0.00 177.93 177.54 1d8j n GLN 25 N -3.36 2.38 0.00 5.26 7.27 0.00 -4.25 117.38 124.69 1d8j n GLN 25 Ca -0.02 -1.33 0.00 0.00 0.07 0.00 0.00 57.00 55.71 1d8j n GLN 25 Cb 0.14 -1.62 0.00 0.00 2.41 0.00 0.00 30.24 31.17 1d8j n GLN 25 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1d8j n ARG 26 N 0.35 0.00 0.00 3.69 1.74 0.14 -5.02 116.66 117.57 1d8j n ARG 26 Ca 0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 1d8j n ARG 26 Cb 0.53 -0.23 0.00 0.00 -1.02 0.00 0.00 32.46 31.74 1d8j n ARG 26 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1d8j n GLY 27 N 1.76 0.17 3.39 -0.13 0.00 -0.32 -5.04 105.19 105.02 1d8j n GLY 27 Ca 0.00 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 3.49 -0.10 1.61 2.03 -0.92 -4.43 116.55 118.24 1d8j n ASP 28 Ca 0.00 -2.76 -0.10 0.00 0.52 0.00 0.00 54.79 52.45 1d8j n ASP 28 Cb 0.00 -1.60 -0.15 0.00 -0.72 0.00 0.00 41.12 38.65 1d8j n ASP 28 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1d8j n THR 29 N 6.80 1.34 -0.65 5.18 -2.24 -1.26 -2.28 114.28 121.17 1d8j n THR 29 Ca 0.48 -0.82 -0.31 0.00 -2.27 0.00 0.00 64.05 61.13 1d8j n THR 29 Cb 0.44 -0.50 0.18 0.00 -2.10 0.00 0.00 70.33 68.35 1d8j n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1d8j n HIS 30 N -2.73 0.06 -2.13 4.78 1.44 -1.26 -4.25 115.22 111.12 1d8j n HIS 30 Ca -0.32 0.27 -0.42 0.00 -2.01 0.00 0.00 57.72 55.23 1d8j n HIS 30 Cb 1.13 -1.90 -0.03 0.00 0.12 0.00 0.00 29.99 29.31 1d8j n HIS 30 CO 0.00 0.00 0.00 -2.14 -2.81 0.00 0.00 176.34 171.39 1d8j s PRO 31 N -4.41 4.25 0.13 -1.40 0.02 -1.26 -4.69 135.00 127.64 1d8j s PRO 31 Ca 0.65 2.08 0.03 0.00 0.02 0.00 0.00 61.00 63.78 1d8j s PRO 31 Cb -0.23 -3.62 -0.04 0.00 0.02 0.00 0.00 34.50 30.64 1d8j s PRO 31 CO 0.61 -0.65 0.24 -0.51 -0.33 0.00 0.00 177.00 176.36 1d8j s LEU 32 N 2.62 4.23 0.95 -5.54 1.43 0.34 -4.72 118.68 117.98 1d8j s LEU 32 Ca 0.67 0.13 -0.12 0.00 -1.03 0.00 0.00 54.13 53.78 1d8j s LEU 32 Cb -0.34 -2.81 0.16 0.00 0.03 0.00 0.00 46.19 43.23 1d8j s LEU 32 CO 0.28 0.08 1.09 0.42 0.23 0.00 0.00 176.35 178.45 1d8j s THR 33 N -1.69 2.35 0.08 5.49 -4.23 -1.26 -0.62 115.64 115.76 1d8j s THR 33 Ca 0.34 0.11 -0.32 0.00 -1.18 0.00 0.00 61.69 60.65 1d8j s THR 33 Cb -0.11 -2.60 -0.17 0.00 1.34 0.00 0.00 72.50 70.96 1d8j s THR 33 CO 0.27 -0.15 1.63 0.25 -0.54 0.00 0.00 174.62 176.08 1d8j h LEU 34 N -1.73 -0.78 -0.99 4.79 7.12 -1.94 -2.70 115.31 119.08 1d8j h LEU 34 Ca -0.52 0.04 0.06 0.00 0.13 0.00 0.00 57.88 57.59 1d8j h LEU 34 Cb 1.31 0.23 -0.06 0.00 -0.53 0.00 0.00 40.66 41.60 1d8j h LEU 34 CO 0.56 -0.50 0.64 0.44 -0.13 0.00 0.00 178.44 179.45 1d8j h ASP 35 N -0.79 1.03 -0.84 1.25 3.32 -1.99 -0.89 116.42 117.52 1d8j h ASP 35 Ca -0.06 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.07 1d8j h ASP 35 Cb 0.64 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 39.92 1d8j h ASP 35 CO 0.07 0.67 0.55 -0.33 -1.72 0.00 0.00 179.24 178.48 1d8j h GLU 36 N 1.18 0.86 -0.26 3.56 5.08 -1.89 -0.05 114.58 123.07 1d8j h GLU 36 Ca 0.42 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.55 1d8j h GLU 36 Cb 0.12 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1d8j h GLU 36 CO -0.16 0.57 -0.55 0.82 -1.00 0.00 0.00 179.01 178.69 1d8j h ILE 37 N 0.89 1.28 0.64 3.13 2.04 -0.88 -3.10 117.51 121.51 1d8j h ILE 37 Ca 0.37 -1.74 -0.03 0.00 1.00 0.00 0.00 64.86 64.46 1d8j h ILE 37 Cb 0.29 1.72 0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1d8j h ILE 37 CO -0.14 0.56 -0.31 -0.07 0.00 0.00 0.00 178.15 178.19 1d8j h LEU 38 N 0.58 -0.73 -0.95 1.44 3.38 -0.24 -3.03 115.31 115.77 1d8j h LEU 38 Ca 0.00 -0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1d8j h LEU 38 Cb 1.16 0.19 -0.09 0.00 0.09 0.00 0.00 40.66 42.01 1d8j h LEU 38 CO 0.12 -0.43 0.57 -2.24 0.09 0.00 0.00 178.44 176.55 1d8j h ASP 39 N -0.99 0.82 0.27 -0.43 3.04 -1.16 0.73 116.42 118.69 1d8j h ASP 39 Ca -0.09 0.06 0.00 0.00 -3.24 0.00 0.00 57.03 53.76 1d8j h ASP 39 Cb 0.70 -0.10 0.00 0.00 -1.04 0.00 0.00 39.33 38.88 1d8j h ASP 39 CO 0.14 0.42 0.00 1.21 -2.04 0.00 0.00 179.24 178.97 1d8j n GLU 40 N -4.69 0.58 0.00 4.15 2.13 -1.17 -2.56 120.64 119.08 1d8j n GLU 40 Ca 0.18 0.02 0.00 0.00 0.66 0.00 0.00 57.16 58.02 1d8j n GLU 40 Cb 0.37 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.58 1d8j n GLU 40 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1d8j n THR 41 N -1.16 0.08 -1.78 6.31 -2.24 -0.07 -4.99 114.28 110.43 1d8j n THR 41 Ca 0.16 -0.52 -0.07 0.00 -2.27 0.00 0.00 64.05 61.34 1d8j n THR 41 Cb 0.15 0.99 -0.01 0.00 -2.10 0.00 0.00 70.33 69.36 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 -0.04 -0.55 -1.47 -0.78 1.13 -0.33 -4.93 117.38 110.40 1d8j n GLN 42 Ca 0.00 0.51 -0.29 0.00 -1.94 0.00 0.00 57.00 55.28 1d8j n GLN 42 Cb 0.03 -4.38 0.08 0.00 0.11 0.00 0.00 30.24 26.08 1d8j n GLN 42 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1d8j n HIS 43 N -3.53 2.92 0.09 1.08 8.25 0.05 -4.59 115.22 119.49 1d8j n HIS 43 Ca -0.08 -2.61 -0.22 0.00 -0.26 0.00 0.00 57.72 54.55 1d8j n HIS 43 Cb 0.44 -1.03 -0.15 0.00 1.12 0.00 0.00 29.99 30.36 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 1.89 0.62 -0.51 2.41 3.38 -1.91 -3.30 115.31 117.89 1d8j h LEU 44 Ca 0.52 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1d8j h LEU 44 Cb 1.24 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1d8j h LEU 44 CO 1.23 1.67 0.32 0.44 0.09 0.00 0.00 178.44 182.20 1d8j h ASP 45 N 0.11 0.60 0.00 -0.43 5.19 -1.96 -3.42 116.42 116.51 1d8j h ASP 45 Ca -0.29 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.08 1d8j h ASP 45 Cb 2.10 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 41.45 1d8j h ASP 45 CO 0.20 0.46 0.00 0.00 -3.12 0.00 0.00 179.24 176.78 1d8j n ILE 46 N -4.71 0.00 0.00 0.35 3.06 -1.24 -4.82 119.36 112.00 1d8j n ILE 46 Ca 0.02 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.27 1d8j n ILE 46 Cb 0.04 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.22 1d8j n ILE 46 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1d8j n GLY 47 N 0.00 4.00 0.31 4.50 0.00 -1.26 -4.89 105.19 107.85 1d8j n GLY 47 Ca 0.00 -0.75 0.04 0.00 0.00 0.00 0.00 46.02 45.31 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 0.69 0.06 0.99 6.46 -1.98 0.67 115.31 122.20 1d8j h LEU 48 Ca 0.00 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1d8j h LEU 48 Cb 0.00 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 39.84 1d8j h LEU 48 CO 0.00 0.39 -0.06 0.50 -0.62 0.00 0.00 178.44 178.65 1d8j h LYS 49 N 0.80 -0.13 0.10 1.25 3.64 -1.98 0.50 116.57 120.75 1d8j h LYS 49 Ca 0.41 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.80 1d8j h LYS 49 Cb 0.39 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1d8j h LYS 49 CO -0.26 -0.09 -0.05 1.96 -2.27 0.00 0.00 179.45 178.75 1d8j h GLN 50 N -0.13 -0.12 -0.30 1.90 4.20 -1.76 0.02 115.11 118.92 1d8j h GLN 50 Ca 0.00 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.79 1d8j h GLN 50 Cb 0.13 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.88 1d8j h GLN 50 CO -0.02 0.17 -0.10 -0.22 -0.67 0.00 0.00 178.83 177.99 1d8j h LYS 51 N -0.42 -0.04 -0.15 1.46 3.64 -0.85 0.44 116.57 120.64 1d8j h LYS 51 Ca -0.01 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1d8j h LYS 51 Cb 0.35 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1d8j h LYS 51 CO 0.02 -0.03 0.04 0.37 -2.27 0.00 0.00 179.45 177.58 1d8j h GLN 52 N -0.04 0.10 -0.21 1.90 4.15 -0.85 -0.43 115.11 119.73 1d8j h GLN 52 Ca 0.15 -0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.61 1d8j h GLN 52 Cb 0.27 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.89 1d8j h GLN 52 CO -0.33 0.07 -0.11 2.35 -1.93 0.00 0.00 178.83 178.87 1d8j h TRP 53 N 0.11 -0.27 -0.31 3.99 7.01 -0.30 -0.22 115.95 125.95 1d8j h TRP 53 Ca 0.07 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.12 1d8j h TRP 53 Cb 0.05 0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 27.23 1d8j h TRP 53 CO -0.12 -0.17 0.11 -0.07 -2.79 0.00 0.00 178.44 175.40 1d8j h LEU 54 N -0.09 0.13 -0.02 0.65 3.38 -0.66 -0.71 115.31 117.99 1d8j h LEU 54 Ca 0.12 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1d8j h LEU 54 Cb 0.26 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1d8j h LEU 54 CO -0.27 0.11 0.02 -0.03 0.09 0.00 0.00 178.44 178.36 1d8j h MET 55 N 0.26 0.03 -1.60 1.13 4.05 -0.40 -0.43 114.93 117.96 1d8j h MET 55 Ca 0.14 -0.00 -0.55 0.00 -0.28 0.00 0.00 59.70 59.01 1d8j h MET 55 Cb 0.10 -0.01 -0.42 0.00 -0.80 0.00 0.00 31.60 30.48 1d8j h MET 55 CO -0.14 0.03 -0.80 -2.37 0.23 0.00 0.00 176.91 173.86 1d8j n THR 56 N -5.07 2.20 0.08 -0.77 5.66 -0.16 -4.47 114.28 111.75 1d8j n THR 56 Ca -0.07 -4.77 0.00 0.00 -3.05 0.00 0.00 64.05 56.17 1d8j n THR 56 Cb 0.03 -0.97 0.00 0.00 -1.55 0.00 0.00 70.33 67.84 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 -0.35 0.00 -0.04 1.09 2.13 -0.32 -4.90 120.64 118.25 1d8j n GLU 57 Ca 0.33 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 58.14 1d8j n GLU 57 Cb 0.63 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.34 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 0.00 0.00 4.31 0.00 -1.42 -3.36 119.26 118.78 1d8j h ALA 58 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1d8j h ALA 58 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1d8j h ALA 58 CO 0.00 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.61 1d8j n LEU 59 N -4.18 0.00 -0.07 0.00 4.77 -0.18 -2.54 117.00 114.81 1d8j n LEU 59 Ca -0.01 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.81 1d8j n LEU 59 Cb 0.04 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.00 1d8j n LEU 59 CO 0.02 0.00 0.13 0.58 -1.33 0.00 0.00 177.39 176.79 1d8j h VAL 60 N 0.00 1.55 -0.56 4.08 2.07 -1.76 -3.39 116.25 118.24 1d8j h VAL 60 Ca 0.00 -2.32 -0.41 0.00 0.82 0.00 0.00 66.70 64.79 1d8j h VAL 60 Cb 0.00 3.09 -0.32 0.00 -1.52 0.00 0.00 31.29 32.54 1d8j h VAL 60 CO 0.00 0.55 -0.74 -0.46 0.02 0.00 0.00 177.57 176.94 1d8j n ASN 61 N -4.52 4.08 -4.73 0.57 0.23 -1.19 -4.77 115.26 104.93 1d8j n ASN 61 Ca -0.16 -3.78 -0.41 0.00 -0.53 0.00 0.00 54.58 49.70 1d8j n ASN 61 Cb 0.56 -0.39 -0.03 0.00 -2.08 0.00 0.00 39.78 37.83 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 -3.51 7.18 0.58 0.53 3.84 -1.05 -4.93 114.94 117.59 1d8j s ASN 62 Ca 0.48 2.05 0.36 0.00 0.21 0.00 0.00 52.86 55.96 1d8j s ASN 62 Cb 0.40 -2.59 1.77 0.00 -0.55 0.00 0.00 41.25 40.27 1d8j s ASN 62 CO 0.01 -0.33 2.15 1.55 -2.79 0.00 0.00 177.10 177.69 1d8j h PRO 63 N 5.83 0.00 -0.08 0.43 0.13 -1.97 -2.90 132.00 133.44 1d8j h PRO 63 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1d8j h PRO 63 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1d8j h PRO 63 CO 0.76 0.04 0.00 1.63 -0.23 0.00 0.00 178.00 180.19 1d8j n LYS 64 N -3.24 2.95 -3.99 0.86 4.01 -1.26 -4.82 118.16 112.66 1d8j n LYS 64 Ca -0.01 -1.64 -0.09 0.00 -0.51 0.00 0.00 58.31 56.06 1d8j n LYS 64 Cb 0.20 -1.07 -0.11 0.00 -0.51 0.00 0.00 35.03 33.55 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 -1.03 0.12 0.02 -0.18 1.09 -1.10 -0.47 121.20 119.66 1d8j s ILE 65 Ca 0.06 -1.02 -0.03 0.00 -1.10 0.00 0.00 60.65 58.56 1d8j s ILE 65 Cb 0.03 -0.44 -0.02 0.00 -1.06 0.00 0.00 42.46 40.98 1d8j s ILE 65 CO 0.04 -0.56 0.03 -0.70 -0.10 0.00 0.00 174.94 173.65 1d8j s GLU 66 N -1.79 0.45 -0.26 2.79 2.12 0.08 -4.07 118.70 118.01 1d8j s GLU 66 Ca -0.13 -0.68 -0.13 0.00 0.36 0.00 0.00 54.97 54.39 1d8j s GLU 66 Cb -0.08 0.17 -0.04 0.00 0.26 0.00 0.00 34.13 34.44 1d8j s GLU 66 CO -0.02 -0.09 0.29 0.08 -0.54 0.00 0.00 175.26 174.98 1d8j s VAL 67 N -2.04 5.24 -0.01 3.70 1.01 -1.26 -0.63 120.40 126.41 1d8j s VAL 67 Ca -0.10 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1d8j s VAL 67 Cb -0.05 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.71 1d8j s VAL 67 CO -0.03 0.22 -0.00 -0.63 0.00 0.00 0.00 175.10 174.66 1d8j s ILE 68 N 1.77 0.09 -1.61 2.22 1.09 -0.98 -4.82 121.20 118.96 1d8j s ILE 68 Ca 0.12 0.02 0.00 0.00 -1.10 0.00 0.00 60.65 59.69 1d8j s ILE 68 Cb -0.15 -0.13 0.00 0.00 -1.06 0.00 0.00 42.46 41.12 1d8j s ILE 68 CO 0.09 0.06 0.00 -0.67 -0.10 0.00 0.00 174.94 174.32 1d8j n ASP 69 N 3.44 -4.98 0.00 3.58 2.03 -1.26 -0.70 116.55 118.66 1d8j n ASP 69 Ca -0.18 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1d8j n ASP 69 Cb 0.56 -4.26 0.00 0.00 -0.72 0.00 0.00 41.12 36.70 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 -0.75 2.99 0.00 0.27 0.00 -1.26 -4.97 105.19 101.47 1d8j n GLY 70 Ca -0.20 0.00 0.00 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 -1.92 0.70 -4.17 1.61 4.76 0.12 -4.96 118.16 114.31 1d8j n LYS 71 Ca 0.00 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.21 1d8j n LYS 71 Cb 0.00 0.00 -0.17 0.00 -1.84 0.00 0.00 35.03 33.02 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 -0.06 1.02 0.37 2.13 1.51 0.20 -2.31 117.35 120.21 1d8j s TYR 72 Ca 0.00 -0.36 0.08 0.00 -1.01 0.00 0.00 57.07 55.78 1d8j s TYR 72 Cb 0.00 -0.87 -0.05 0.00 -0.11 0.00 0.00 41.96 40.93 1d8j s TYR 72 CO 0.00 -0.28 0.09 0.00 -1.11 0.00 0.00 175.55 174.25 1d8j s ALA 73 N 1.12 3.38 -0.16 3.71 0.00 0.19 -0.51 121.76 129.50 1d8j s ALA 73 Ca -0.07 -2.00 -0.17 0.00 0.00 0.00 0.00 51.96 49.71 1d8j s ALA 73 Cb -0.14 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 1d8j s ALA 73 CO -0.01 -0.02 0.44 0.12 0.00 0.00 0.00 175.76 176.29 1d8j s PHE 74 N -2.54 3.45 -0.26 0.00 2.19 -1.26 -0.74 117.98 118.81 1d8j s PHE 74 Ca 0.37 0.77 -0.26 0.00 0.33 0.00 0.00 56.93 58.15 1d8j s PHE 74 Cb 0.01 -2.54 0.00 0.00 -1.31 0.00 0.00 43.02 39.19 1d8j s PHE 74 CO 0.21 0.09 0.88 0.21 1.83 0.00 0.00 175.22 178.44 1d8j s LYS 75 N 0.94 4.13 0.07 10.12 2.20 0.38 -4.81 119.74 132.77 1d8j s LYS 75 Ca 0.23 0.94 -0.36 0.00 -0.36 0.00 0.00 55.97 56.42 1d8j s LYS 75 Cb -0.15 -3.67 -0.19 0.00 -1.51 0.00 0.00 37.83 32.31 1d8j s LYS 75 CO 0.09 -0.62 1.58 -1.35 -0.36 0.00 0.00 175.35 174.69 1d8j h PRO 76 N 7.79 -1.07 0.00 4.03 0.10 -1.91 -3.42 132.00 137.52 1d8j h PRO 76 Ca -0.22 0.07 0.00 0.00 0.10 0.00 0.00 66.00 65.95 1d8j h PRO 76 Cb 1.08 0.24 0.00 0.00 0.10 0.00 0.00 31.00 32.43 1d8j h PRO 76 CO 0.91 -0.71 0.00 0.36 0.10 0.00 0.00 178.00 178.66 1d8j n LYS 77 N -5.59 0.00 0.11 1.05 2.85 -1.26 -5.05 118.16 110.27 1d8j n LYS 77 Ca -0.14 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.12 1d8j n LYS 77 Cb 0.47 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.85 1d8j n LYS 77 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1d8j n TYR 78 N -1.78 -2.36 -2.92 5.58 4.01 -1.26 -5.07 117.16 113.36 1d8j n TYR 78 Ca 0.00 0.53 -0.11 0.00 -0.16 0.00 0.00 57.90 58.15 1d8j n TYR 78 Cb 0.00 1.30 0.01 0.00 -0.31 0.00 0.00 39.34 40.35 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 -3.08 -7.68 -4.74 7.72 2.85 -1.26 -4.93 115.26 104.15 1d8j n ASN 79 Ca 0.00 0.49 -0.37 0.00 -0.11 0.00 0.00 54.58 54.59 1d8j n ASN 79 Cb 0.00 -4.95 0.05 0.00 1.24 0.00 0.00 39.78 36.12 1d8j n ASN 79 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1d8j s VAL 80 N -2.44 2.13 -0.08 3.44 0.11 -1.26 -5.15 120.40 117.15 1d8j s VAL 80 Ca 0.26 0.08 0.01 0.00 -2.93 0.00 0.00 61.98 59.40 1d8j s VAL 80 Cb -0.06 -3.04 0.01 0.00 -1.53 0.00 0.00 36.38 31.75 1d8j s VAL 80 CO 0.78 -0.01 0.52 0.54 -3.33 0.00 0.00 175.10 173.60