#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 -1.86 -3.34 0.00 0.00 -1.26 -5.09 117.00 105.45 1d8j n LEU 2 Ca 0.00 0.45 -0.11 0.00 0.00 0.00 0.00 56.01 56.35 1d8j n LEU 2 Cb 0.00 1.93 0.01 0.00 0.00 0.00 0.00 43.42 45.36 1d8j n LEU 2 CO 0.00 -0.19 0.12 -1.20 0.00 0.00 0.00 177.39 176.12 1d8j n SER 3 N -3.02 -6.66 -2.94 1.96 7.64 -1.26 -4.82 113.62 104.53 1d8j n SER 3 Ca 0.00 -0.46 -0.30 0.00 1.01 0.00 0.00 58.87 59.12 1d8j n SER 3 Cb 0.00 -4.12 -0.07 0.00 -1.01 0.00 0.00 64.21 59.02 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 -1.69 3.80 5.26 0.23 0.00 -1.26 -4.93 105.19 106.60 1d8j n GLY 4 Ca -0.10 -1.36 0.06 0.00 0.00 0.00 0.00 46.02 44.61 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 3.32 -6.41 -3.62 1.61 2.88 -1.26 -5.04 113.62 105.09 1d8j n SER 5 Ca 0.66 0.46 -0.03 0.00 -1.33 0.00 0.00 58.87 58.63 1d8j n SER 5 Cb 0.41 -1.29 -0.03 0.00 -0.75 0.00 0.00 64.21 62.55 1d8j n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1d8j s SER 6 N -4.90 -0.09 -0.61 -3.46 0.15 -1.26 -5.08 113.70 98.45 1d8j s SER 6 Ca 0.00 0.05 0.04 0.00 0.70 0.00 0.00 55.95 56.73 1d8j s SER 6 Cb 0.00 0.08 0.37 0.00 -1.71 0.00 0.00 66.02 64.76 1d8j s SER 6 CO 0.00 -0.11 1.23 0.61 1.20 0.00 0.00 173.24 176.16 1d8j n GLY 7 N 0.23 5.81 3.08 9.45 0.00 -1.26 -2.74 105.19 119.76 1d8j n GLY 7 Ca 0.01 -2.72 -0.00 0.00 0.00 0.00 0.00 46.02 43.30 1d8j n GLY 7 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1d8j s TYR 8 N -3.67 -1.59 0.00 1.61 5.04 -1.26 -4.78 117.35 112.70 1d8j s TYR 8 Ca 0.48 0.81 0.00 0.00 -2.44 0.00 0.00 57.07 55.91 1d8j s TYR 8 Cb 0.33 0.17 0.00 0.00 0.35 0.00 0.00 41.96 42.81 1d8j s TYR 8 CO -0.19 -1.06 0.00 0.36 -1.34 0.00 0.00 175.55 173.32 1d8j n LYS 9 N 5.35 0.00 -0.06 4.97 2.85 -1.26 -4.59 118.16 125.43 1d8j n LYS 9 Ca 0.04 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.17 1d8j n LYS 9 Cb 0.53 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.84 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 0.42 -0.18 5.58 0.04 -1.92 -1.38 116.94 119.50 1d8j h PHE 10 Ca 0.00 -0.12 0.03 0.00 2.80 0.00 0.00 57.97 60.68 1d8j h PHE 10 Cb 0.00 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.03 1d8j h PHE 10 CO 0.00 0.72 -0.03 0.78 -0.60 0.00 0.00 178.31 179.18 1d8j h GLY 11 N -0.00 0.14 0.91 -1.45 0.00 -1.76 0.33 103.07 101.24 1d8j h GLY 11 Ca 0.03 0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 1d8j h GLY 11 CO 0.03 -0.06 0.10 -2.08 0.00 0.00 0.00 176.54 174.53 1d8j h VAL 12 N 0.02 1.21 -0.82 4.60 2.07 -1.90 -2.62 116.25 118.81 1d8j h VAL 12 Ca 0.08 -0.70 0.04 0.00 0.82 0.00 0.00 66.70 66.94 1d8j h VAL 12 Cb 0.12 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 1d8j h VAL 12 CO -0.17 0.24 0.54 0.25 0.02 0.00 0.00 177.57 178.45 1d8j h LEU 13 N 0.40 0.87 -1.50 2.57 5.85 -0.96 -0.69 115.31 121.85 1d8j h LEU 13 Ca 0.11 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1d8j h LEU 13 Cb 0.27 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1d8j h LEU 13 CO -0.00 0.59 0.22 0.00 -0.34 0.00 0.00 178.44 178.91 1d8j h ALA 14 N 1.52 1.63 0.02 1.25 0.00 -0.57 -0.95 119.26 122.16 1d8j h ALA 14 Ca 0.33 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1d8j h ALA 14 Cb 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1d8j h ALA 14 CO -0.10 0.32 -0.01 0.87 0.00 0.00 0.00 179.25 180.33 1d8j h LYS 15 N 0.56 -0.02 0.42 0.00 1.57 -0.87 0.15 116.57 118.37 1d8j h LYS 15 Ca 0.15 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1d8j h LYS 15 Cb 0.02 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1d8j h LYS 15 CO -0.02 0.08 -0.30 0.82 -0.57 0.00 0.00 179.45 179.45 1d8j h ILE 16 N -0.12 0.37 -0.64 1.86 2.04 -1.16 0.34 117.51 120.19 1d8j h ILE 16 Ca -0.00 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 1d8j h ILE 16 Cb 0.12 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 36.51 1d8j h ILE 16 CO 0.00 0.00 0.34 0.58 0.00 0.00 0.00 178.15 179.08 1d8j h VAL 17 N -0.71 0.95 0.16 1.67 2.07 -1.15 0.14 116.25 119.38 1d8j h VAL 17 Ca -0.04 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1d8j h VAL 17 Cb 0.60 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1d8j h VAL 17 CO 0.01 0.12 -0.08 -1.13 0.02 0.00 0.00 177.57 176.51 1d8j h ASN 18 N 0.64 -0.18 -0.29 0.57 -1.24 -0.74 -0.89 115.58 113.45 1d8j h ASN 18 Ca 0.29 -0.22 -0.01 0.00 0.71 0.00 0.00 56.30 57.07 1d8j h ASN 18 Cb 0.19 0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.28 1d8j h ASN 18 CO -0.19 0.13 0.16 0.22 -1.29 0.00 0.00 177.43 176.47 1d8j h TYR 19 N -0.50 0.40 -0.40 0.67 3.20 -0.78 -1.60 116.97 117.95 1d8j h TYR 19 Ca -0.02 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.91 1d8j h TYR 19 Cb 0.39 -0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.47 1d8j h TYR 19 CO 0.02 0.32 0.01 0.52 -1.64 0.00 0.00 178.16 177.39 1d8j h MET 20 N 0.36 0.11 0.17 1.82 2.86 -0.72 0.26 114.93 119.78 1d8j h MET 20 Ca 0.10 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1d8j h MET 20 Cb 0.06 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1d8j h MET 20 CO -0.02 0.07 -0.17 -0.22 1.06 0.00 0.00 176.91 177.63 1d8j h LYS 21 N 0.11 -0.33 -0.65 1.72 3.64 -0.76 0.94 116.57 121.24 1d8j h LYS 21 Ca 0.20 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.71 1d8j h LYS 21 Cb 0.28 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.09 1d8j h LYS 21 CO -0.33 -0.22 0.22 1.15 -2.27 0.00 0.00 179.45 178.00 1d8j h THR 22 N -0.35 0.70 0.00 1.00 2.02 -1.16 0.22 112.91 115.35 1d8j h THR 22 Ca -0.02 -0.13 -0.06 0.00 0.77 0.00 0.00 66.41 66.97 1d8j h THR 22 Cb 0.30 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1d8j h THR 22 CO -0.02 0.07 -0.29 0.08 0.37 0.00 0.00 175.52 175.73 1d8j h ARG 23 N 0.38 0.00 0.14 6.66 -0.00 -0.88 -1.31 114.38 119.36 1d8j h ARG 23 Ca 0.34 0.00 -0.30 0.00 -0.00 0.00 0.00 59.98 60.02 1d8j h ARG 23 Cb 0.48 0.00 0.03 0.00 -0.00 0.00 0.00 29.97 30.47 1d8j h ARG 23 CO -0.36 0.29 -1.28 1.25 -0.00 0.00 0.00 179.97 179.87 1d8j h HIS 24 N 0.00 0.93 -0.85 4.08 2.76 0.39 -2.79 115.15 119.68 1d8j h HIS 24 Ca -0.00 -0.61 -0.02 0.00 -2.20 0.00 0.00 60.37 57.53 1d8j h HIS 24 Cb 0.89 -0.07 -0.04 0.00 1.55 0.00 0.00 27.41 29.74 1d8j h HIS 24 CO 0.00 1.45 0.43 1.96 -1.30 0.00 0.00 177.93 180.48 1d8j h GLN 25 N 0.23 1.20 -0.10 5.26 4.20 -0.38 -2.90 115.11 122.62 1d8j h GLN 25 Ca -0.19 -0.16 0.04 0.00 0.06 0.00 0.00 58.65 58.40 1d8j h GLN 25 Cb 1.95 -0.22 -0.06 0.00 0.30 0.00 0.00 27.48 29.45 1d8j h GLN 25 CO 0.24 0.91 -0.27 0.00 -0.67 0.00 0.00 178.83 179.03 1d8j h ARG 26 N 1.19 -0.35 0.00 1.46 3.08 -1.29 -3.46 114.38 115.02 1d8j h ARG 26 Ca 0.29 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1d8j h ARG 26 Cb 0.08 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1d8j h ARG 26 CO -0.04 -0.23 0.00 0.41 -1.07 0.00 0.00 179.97 179.04 1d8j n GLY 27 N -1.39 0.11 1.91 0.04 0.00 -1.10 -5.01 105.19 99.76 1d8j n GLY 27 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 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 5.52 0.00 1.61 8.00 -1.05 -4.53 116.55 126.10 1d8j n ASP 28 Ca 0.00 -2.60 0.04 0.00 0.71 0.00 0.00 54.79 52.95 1d8j n ASP 28 Cb 0.00 -1.29 0.22 0.00 -0.02 0.00 0.00 41.12 40.04 1d8j n ASP 28 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1d8j n THR 29 N 1.85 0.73 -1.32 -3.53 5.66 -1.25 -4.44 114.28 111.98 1d8j n THR 29 Ca 0.30 0.18 -0.36 0.00 -3.05 0.00 0.00 64.05 61.13 1d8j n THR 29 Cb 0.73 -1.04 0.08 0.00 -1.55 0.00 0.00 70.33 68.55 1d8j n THR 29 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1d8j n HIS 30 N -1.26 0.23 -1.36 1.09 1.44 -1.26 -4.54 115.22 109.56 1d8j n HIS 30 Ca 0.04 0.38 -0.35 0.00 -2.01 0.00 0.00 57.72 55.79 1d8j n HIS 30 Cb 0.07 -2.03 0.10 0.00 0.12 0.00 0.00 29.99 28.25 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 -3.18 1.99 0.01 -1.40 0.02 -1.26 -4.77 135.00 126.41 1d8j s PRO 31 Ca 0.71 1.89 0.03 0.00 0.02 0.00 0.00 61.00 63.65 1d8j s PRO 31 Cb -0.34 -1.80 -0.01 0.00 0.02 0.00 0.00 34.50 32.36 1d8j s PRO 31 CO 0.53 -1.98 -0.11 -0.51 -0.33 0.00 0.00 177.00 174.60 1d8j s LEU 32 N -5.18 2.09 1.02 -5.54 1.43 -0.13 -4.92 118.68 107.45 1d8j s LEU 32 Ca 0.77 -0.30 -0.14 0.00 -1.03 0.00 0.00 54.13 53.43 1d8j s LEU 32 Cb -0.32 -0.49 0.20 0.00 0.03 0.00 0.00 46.19 45.60 1d8j s LEU 32 CO 0.46 0.06 1.12 0.42 0.23 0.00 0.00 176.35 178.64 1d8j s THR 33 N -0.54 1.91 0.09 5.49 -4.23 -1.26 -0.38 115.64 116.72 1d8j s THR 33 Ca 0.02 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 60.31 1d8j s THR 33 Cb -0.06 -2.59 -0.12 0.00 1.34 0.00 0.00 72.50 71.07 1d8j s THR 33 CO 0.00 0.00 1.67 0.25 -0.54 0.00 0.00 174.62 176.00 1d8j h LEU 34 N -1.94 0.13 -0.12 4.79 7.12 -1.95 -2.79 115.31 120.56 1d8j h LEU 34 Ca -0.51 -0.10 0.04 0.00 0.13 0.00 0.00 57.88 57.44 1d8j h LEU 34 Cb 1.32 -0.03 -0.05 0.00 -0.53 0.00 0.00 40.66 41.37 1d8j h LEU 34 CO 0.53 0.20 -0.18 0.44 -0.13 0.00 0.00 178.44 179.29 1d8j h ASP 35 N 0.06 -0.56 -0.87 1.25 5.19 -1.99 -1.64 116.42 117.86 1d8j h ASP 35 Ca 0.04 0.10 0.16 0.00 -0.62 0.00 0.00 57.03 56.70 1d8j h ASP 35 Cb 0.10 0.26 -0.10 0.00 0.18 0.00 0.00 39.33 39.77 1d8j h ASP 35 CO -0.01 -0.23 0.45 -0.33 -3.12 0.00 0.00 179.24 176.00 1d8j h GLU 36 N -0.23 0.60 0.61 3.56 5.08 -1.91 -0.72 114.58 121.58 1d8j h GLU 36 Ca 0.10 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1d8j h GLU 36 Cb 0.37 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.49 1d8j h GLU 36 CO -0.26 0.40 -0.30 0.82 -1.00 0.00 0.00 179.01 178.67 1d8j h ILE 37 N 0.62 0.26 -1.00 3.13 2.04 -1.11 -3.12 117.51 118.33 1d8j h ILE 37 Ca 0.48 -0.29 0.18 0.00 1.00 0.00 0.00 64.86 66.23 1d8j h ILE 37 Cb 0.70 0.34 -0.10 0.00 -0.74 0.00 0.00 36.82 37.02 1d8j h ILE 37 CO -0.38 0.03 0.62 -0.07 0.00 0.00 0.00 178.15 178.35 1d8j h LEU 38 N -1.05 0.81 -0.01 1.44 3.38 -0.75 0.13 115.31 119.27 1d8j h LEU 38 Ca -0.08 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1d8j h LEU 38 Cb 0.68 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1d8j h LEU 38 CO 0.14 0.32 -0.19 -0.78 0.09 0.00 0.00 178.44 178.02 1d8j h ASP 39 N 0.81 -0.55 0.17 -0.43 3.58 -1.12 -2.91 116.42 115.97 1d8j h ASP 39 Ca 0.56 0.08 -0.24 0.00 0.42 0.00 0.00 57.03 57.86 1d8j h ASP 39 Cb 0.82 0.23 0.01 0.00 1.72 0.00 0.00 39.33 42.11 1d8j h ASP 39 CO -0.36 -0.25 -0.94 -0.33 -2.88 0.00 0.00 179.24 174.48 1d8j h GLU 40 N -0.30 0.54 -5.33 0.28 5.08 -1.33 -3.39 114.58 110.13 1d8j h GLU 40 Ca 0.06 -0.56 -0.66 0.00 -1.00 0.00 0.00 59.36 57.20 1d8j h GLU 40 Cb 0.38 0.15 -0.15 0.00 0.50 0.00 0.00 28.75 29.62 1d8j h GLU 40 CO -0.18 1.18 0.91 0.95 -1.00 0.00 0.00 179.01 180.87 1d8j s THR 41 N -3.36 4.48 0.00 1.13 -4.23 0.39 -4.89 115.64 109.15 1d8j s THR 41 Ca -0.08 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 1d8j s THR 41 Cb 0.08 -4.82 0.00 0.00 1.34 0.00 0.00 72.50 69.10 1d8j s THR 41 CO 0.89 -1.59 0.21 0.00 -0.54 0.00 0.00 174.62 173.58 1d8j n GLN 42 N 7.25 0.00 -2.66 3.99 3.00 -1.26 -4.36 117.38 123.35 1d8j n GLN 42 Ca 0.20 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 57.17 1d8j n GLN 42 Cb 0.49 -0.32 0.09 0.00 0.00 0.00 0.00 30.24 30.49 1d8j n GLN 42 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.06 174.67 1d8j n HIS 43 N 1.22 -0.20 -1.56 1.08 1.44 -1.23 -5.03 115.22 110.94 1d8j n HIS 43 Ca 0.00 -0.61 -0.33 0.00 -2.01 0.00 0.00 57.72 54.77 1d8j n HIS 43 Cb 0.10 1.14 -0.05 0.00 0.12 0.00 0.00 29.99 31.30 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 0.30 7.56 0.00 2.39 0.00 -1.24 -3.30 117.00 122.71 1d8j n LEU 44 Ca -0.11 -4.34 0.00 0.00 0.00 0.00 0.00 56.01 51.56 1d8j n LEU 44 Cb 0.74 -1.40 0.00 0.00 0.00 0.00 0.00 43.42 42.76 1d8j n LEU 44 CO -0.12 1.95 0.00 -0.67 0.00 0.00 0.00 177.39 178.56 1d8j n ASP 45 N 2.21 0.00 0.00 1.96 2.03 -1.26 -5.05 116.55 116.44 1d8j n ASP 45 Ca 0.62 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.93 1d8j n ASP 45 Cb 0.40 0.22 0.00 0.00 -0.72 0.00 0.00 41.12 41.02 1d8j n ASP 45 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1d8j n ILE 46 N -1.92 0.00 0.00 5.18 -5.35 -1.21 -4.80 119.36 111.26 1d8j n ILE 46 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1d8j n ILE 46 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 1d8j n ILE 46 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1d8j n GLY 47 N 0.00 3.34 0.09 3.28 0.00 -1.26 -4.82 105.19 105.81 1d8j n GLY 47 Ca 0.00 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.01 -0.02 0.99 6.46 -1.99 -0.21 115.31 120.54 1d8j h LEU 48 Ca 0.00 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.82 1d8j h LEU 48 Cb 0.00 0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 39.91 1d8j h LEU 48 CO 0.00 0.02 -0.34 0.11 -0.62 0.00 0.00 178.44 177.61 1d8j h LYS 49 N 0.08 -0.47 0.57 1.25 1.79 -1.99 0.05 116.57 117.85 1d8j h LYS 49 Ca 0.06 0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.54 1d8j h LYS 49 Cb 0.06 0.11 0.01 0.00 -1.58 0.00 0.00 32.23 30.82 1d8j h LYS 49 CO -0.09 -0.31 -0.27 1.96 -1.08 0.00 0.00 179.45 179.65 1d8j h GLN 50 N -0.48 -0.74 -0.87 3.15 1.08 -1.85 -0.56 115.11 114.84 1d8j h GLN 50 Ca 0.06 0.05 0.20 0.00 -1.45 0.00 0.00 58.65 57.51 1d8j h GLN 50 Cb 0.58 0.17 -0.12 0.00 -0.05 0.00 0.00 27.48 28.06 1d8j h GLN 50 CO -0.29 -0.44 0.38 -0.22 -0.95 0.00 0.00 178.83 177.31 1d8j h LYS 51 N -1.11 0.42 0.41 1.46 3.64 -1.03 0.14 116.57 120.50 1d8j h LYS 51 Ca -0.08 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 1d8j h LYS 51 Cb 0.64 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1d8j h LYS 51 CO 0.13 0.28 -0.20 0.37 -2.27 0.00 0.00 179.45 177.76 1d8j h GLN 52 N 0.43 -0.53 -0.20 1.90 5.75 -0.97 -1.91 115.11 119.57 1d8j h GLN 52 Ca 0.53 0.04 0.06 0.00 -0.15 0.00 0.00 58.65 59.12 1d8j h GLN 52 Cb 0.95 0.12 -0.06 0.00 1.07 0.00 0.00 27.48 29.56 1d8j h GLN 52 CO -0.49 -0.22 -0.21 2.35 -2.65 0.00 0.00 178.83 177.61 1d8j h TRP 53 N -0.96 -0.54 -0.15 3.99 7.01 -0.44 -1.64 115.95 123.22 1d8j h TRP 53 Ca -0.06 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.01 1d8j h TRP 53 Cb 0.55 0.27 -0.03 0.00 -2.10 0.00 0.00 29.16 27.85 1d8j h TRP 53 CO 0.02 -0.28 -0.03 -0.07 -2.79 0.00 0.00 178.44 175.29 1d8j h LEU 54 N -0.22 -0.13 0.70 0.65 3.38 -0.80 0.12 115.31 119.01 1d8j h LEU 54 Ca 0.12 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1d8j h LEU 54 Cb 0.41 0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.26 1d8j h LEU 54 CO -0.34 -0.04 -0.34 -0.03 0.09 0.00 0.00 178.44 177.78 1d8j h MET 55 N 0.01 -0.91 -0.32 1.13 4.05 -0.89 -1.24 114.93 116.76 1d8j h MET 55 Ca 0.07 0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.55 1d8j h MET 55 Cb 0.11 0.21 0.00 0.00 -0.80 0.00 0.00 31.60 31.11 1d8j h MET 55 CO -0.15 -0.58 0.00 -2.37 0.23 0.00 0.00 176.91 174.04 1d8j n THR 56 N -5.46 1.93 0.06 -0.77 5.66 -0.66 -4.34 114.28 110.70 1d8j n THR 56 Ca -0.13 -1.57 0.00 0.00 -3.05 0.00 0.00 64.05 59.30 1d8j n THR 56 Cb 0.39 -0.02 0.00 0.00 -1.55 0.00 0.00 70.33 69.15 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 -0.07 0.00 0.04 1.09 1.02 -0.15 -4.88 120.64 117.70 1d8j n GLU 57 Ca 0.19 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.31 1d8j n GLU 57 Cb 0.78 -0.03 -0.01 0.00 -0.02 0.00 0.00 31.44 32.16 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 0.00 -0.26 0.00 0.62 0.00 -0.86 -3.33 119.26 115.44 1d8j h ALA 58 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1d8j h ALA 58 Cb 0.03 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1d8j h ALA 58 CO 0.00 -0.25 -0.10 -0.07 0.00 0.00 0.00 179.25 178.84 1d8j h LEU 59 N -0.57 0.00 -1.57 0.00 3.38 -1.46 -0.06 115.31 115.03 1d8j h LEU 59 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1d8j h LEU 59 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1d8j h LEU 59 CO 0.03 0.10 0.00 -0.37 0.09 0.00 0.00 178.44 178.28 1d8j h VAL 60 N 0.00 0.00 0.00 1.22 -1.51 -1.76 -3.23 116.25 110.98 1d8j h VAL 60 Ca -0.00 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 65.12 1d8j h VAL 60 Cb 0.18 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 30.60 1d8j h VAL 60 CO 0.01 0.00 -0.21 -0.46 -1.23 0.00 0.00 177.57 175.68 1d8j n ASN 61 N -2.88 0.37 -4.73 4.19 0.23 -0.82 -4.94 115.26 106.68 1d8j n ASN 61 Ca 0.00 -1.69 -0.42 0.00 -0.53 0.00 0.00 54.58 51.94 1d8j n ASN 61 Cb 0.24 -0.12 -0.03 0.00 -2.08 0.00 0.00 39.78 37.79 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 -0.76 6.87 0.57 0.53 3.84 -0.10 -4.89 114.94 120.99 1d8j s ASN 62 Ca 0.03 2.38 0.28 0.00 0.21 0.00 0.00 52.86 55.76 1d8j s ASN 62 Cb 0.02 -2.60 1.49 0.00 -0.55 0.00 0.00 41.25 39.61 1d8j s ASN 62 CO 0.00 -0.58 1.95 -0.65 -2.79 0.00 0.00 177.10 175.03 1d8j h PRO 63 N 5.89 0.00 -0.39 0.43 0.11 -1.93 -1.22 132.00 134.89 1d8j h PRO 63 Ca -0.44 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.46 1d8j h PRO 63 Cb 1.21 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.20 1d8j h PRO 63 CO 0.81 0.00 -0.06 1.63 -0.21 0.00 0.00 178.00 180.17 1d8j n LYS 64 N -3.93 1.88 -4.08 1.05 5.02 -1.26 -4.85 118.16 111.99 1d8j n LYS 64 Ca 0.09 -3.21 -0.14 0.00 -2.02 0.00 0.00 58.31 53.03 1d8j n LYS 64 Cb 0.64 -1.85 -0.11 0.00 -0.02 0.00 0.00 35.03 33.69 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 -3.30 0.62 0.00 -0.18 -1.09 -0.46 -0.97 121.20 115.83 1d8j s ILE 65 Ca 0.46 -1.15 -0.04 0.00 -2.23 0.00 0.00 60.65 57.68 1d8j s ILE 65 Cb 0.41 -0.72 -0.00 0.00 -1.58 0.00 0.00 42.46 40.57 1d8j s ILE 65 CO -0.00 -0.39 0.07 -0.70 -1.23 0.00 0.00 174.94 172.69 1d8j s GLU 66 N -1.71 0.36 -0.42 2.79 2.56 0.70 -4.58 118.70 118.40 1d8j s GLU 66 Ca -0.08 -0.39 -0.20 0.00 0.00 0.00 0.00 54.97 54.31 1d8j s GLU 66 Cb -0.09 0.14 0.02 0.00 2.00 0.00 0.00 34.13 36.20 1d8j s GLU 66 CO 0.00 -0.07 0.59 0.08 -0.56 0.00 0.00 175.26 175.30 1d8j s VAL 67 N -1.17 4.90 -0.08 3.70 1.01 -1.26 -0.69 120.40 126.80 1d8j s VAL 67 Ca -0.13 0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1d8j s VAL 67 Cb -0.07 -4.14 0.02 0.00 0.00 0.00 0.00 36.38 32.18 1d8j s VAL 67 CO 0.00 -0.50 -0.10 -0.63 0.00 0.00 0.00 175.10 173.87 1d8j s ILE 68 N 2.65 1.04 -1.74 2.22 1.01 -0.36 -4.73 121.20 121.30 1d8j s ILE 68 Ca 0.20 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.48 1d8j s ILE 68 Cb -0.15 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.33 1d8j s ILE 68 CO 0.17 0.35 0.00 -0.67 0.00 0.00 0.00 174.94 174.79 1d8j n ASP 69 N 4.23 -5.33 0.00 3.58 2.03 -1.26 -0.45 116.55 119.34 1d8j n ASP 69 Ca -0.19 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.27 1d8j n ASP 69 Cb 0.51 -4.54 0.00 0.00 -0.72 0.00 0.00 41.12 36.37 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 -0.79 2.99 3.98 0.27 0.00 -1.26 -4.99 105.19 105.38 1d8j n GLY 70 Ca -0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.01 2.03 -0.27 1.61 -0.14 0.40 -5.01 119.74 118.34 1d8j s LYS 71 Ca 0.00 -0.90 -0.08 0.00 -1.36 0.00 0.00 55.97 53.63 1d8j s LYS 71 Cb 0.00 -2.37 -0.02 0.00 -1.68 0.00 0.00 37.83 33.76 1d8j s LYS 71 CO 0.00 -1.17 0.11 0.71 -0.76 0.00 0.00 175.35 174.23 1d8j s TYR 72 N -3.02 3.13 0.08 3.18 2.02 0.49 -1.22 117.35 122.01 1d8j s TYR 72 Ca 0.62 -0.47 0.06 0.00 -0.37 0.00 0.00 57.07 56.91 1d8j s TYR 72 Cb -0.08 -2.29 -0.04 0.00 -0.40 0.00 0.00 41.96 39.16 1d8j s TYR 72 CO 0.42 -0.39 -0.07 0.00 -1.57 0.00 0.00 175.55 173.95 1d8j s ALA 73 N 1.62 3.05 -0.13 3.71 0.00 0.13 -0.96 121.76 129.18 1d8j s ALA 73 Ca 0.06 -1.16 -0.29 0.00 0.00 0.00 0.00 51.96 50.56 1d8j s ALA 73 Cb -0.16 -1.02 -0.02 0.00 0.00 0.00 0.00 23.12 21.92 1d8j s ALA 73 CO 0.05 0.65 1.24 0.12 0.00 0.00 0.00 175.76 177.82 1d8j s PHE 74 N -1.19 2.95 -0.32 0.00 5.36 -1.26 -0.21 117.98 123.30 1d8j s PHE 74 Ca 0.22 1.07 -0.22 0.00 -0.96 0.00 0.00 56.93 57.03 1d8j s PHE 74 Cb -0.11 -3.48 0.00 0.00 -0.34 0.00 0.00 43.02 39.09 1d8j s PHE 74 CO 0.13 -1.59 0.74 0.21 -1.46 0.00 0.00 175.22 173.26 1d8j s LYS 75 N 3.12 3.88 0.02 10.12 2.20 -0.14 -4.83 119.74 134.10 1d8j s LYS 75 Ca 0.55 0.41 -0.26 0.00 -0.36 0.00 0.00 55.97 56.31 1d8j s LYS 75 Cb -0.23 -3.75 -0.16 0.00 -1.51 0.00 0.00 37.83 32.18 1d8j s LYS 75 CO 0.17 -0.70 1.20 -1.00 -0.36 0.00 0.00 175.35 174.66 1d8j h PRO 76 N 8.24 -0.67 0.00 4.03 0.13 -1.86 -3.40 132.00 138.47 1d8j h PRO 76 Ca -0.25 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1d8j h PRO 76 Cb 1.10 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1d8j h PRO 76 CO 0.87 -0.36 0.00 1.17 -0.23 0.00 0.00 178.00 179.44 1d8j n LYS 77 N -5.28 0.00 -2.72 0.86 4.81 -1.26 -2.65 118.16 111.92 1d8j n LYS 77 Ca -0.11 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.28 1d8j n LYS 77 Cb 0.32 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.43 1d8j n LYS 77 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1d8j n TYR 78 N 0.00 0.13 -3.64 5.64 4.01 -1.26 -5.06 117.16 116.98 1d8j n TYR 78 Ca 0.00 -2.34 -0.25 0.00 -0.16 0.00 0.00 57.90 55.16 1d8j n TYR 78 Cb 0.00 0.25 -0.17 0.00 -0.31 0.00 0.00 39.34 39.11 1d8j n TYR 78 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1d8j s ASN 79 N -2.71 2.10 -0.04 7.72 3.04 -1.08 -4.99 114.94 118.97 1d8j s ASN 79 Ca 0.24 -0.46 0.13 0.00 0.04 0.00 0.00 52.86 52.81 1d8j s ASN 79 Cb 0.41 -0.25 0.24 0.00 -1.54 0.00 0.00 41.25 40.11 1d8j s ASN 79 CO -0.02 -0.32 1.11 0.55 -3.04 0.00 0.00 177.10 175.37 1d8j n VAL 80 N 5.26 0.55 0.92 -5.21 3.14 -1.26 -4.74 118.33 116.99 1d8j n VAL 80 Ca -0.06 -1.07 0.07 0.00 -2.96 0.00 0.00 64.34 60.32 1d8j n VAL 80 Cb 0.49 0.47 0.44 0.00 -1.06 0.00 0.00 33.84 34.18 1d8j n VAL 80 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23