#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d0w h THR 20 N 0.00 1.25 -2.67 2.61 1.35 -2.10 -3.43 112.91 109.92 3d0w h THR 20 Ca 0.00 -1.02 -0.54 0.00 -0.55 0.00 0.00 66.41 64.30 3d0w h THR 20 Cb 0.00 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 67.28 3d0w h THR 20 CO 0.00 0.36 1.03 -0.63 -0.25 0.00 0.00 175.52 176.03 3d0w s ILE 21 N -5.00 3.42 0.28 6.82 1.09 -1.26 -4.94 121.20 121.61 3d0w s ILE 21 Ca -0.10 0.68 -0.30 0.00 -1.10 0.00 0.00 60.65 59.83 3d0w s ILE 21 Cb 0.15 -3.44 -0.11 0.00 -1.06 0.00 0.00 42.46 38.00 3d0w s ILE 21 CO 0.82 -0.03 1.50 -0.54 -0.10 0.00 0.00 174.94 176.59 3d0w s LYS 22 N 3.38 4.20 0.36 2.79 1.02 -1.26 -4.87 119.74 125.35 3d0w s LYS 22 Ca 0.73 2.44 0.17 0.00 0.02 0.00 0.00 55.97 59.32 3d0w s LYS 22 Cb -0.35 -3.06 1.10 0.00 -0.52 0.00 0.00 37.83 35.00 3d0w s LYS 22 CO 0.30 -0.51 1.69 1.49 -0.92 0.00 0.00 175.35 177.40 3d0w h GLU 23 N 4.77 0.35 -0.23 1.68 4.57 -1.92 -0.12 114.58 123.66 3d0w h GLU 23 Ca -0.47 -0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 57.57 3d0w h GLU 23 Cb 1.22 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.72 3d0w h GLU 23 CO 0.77 0.23 -0.35 0.38 -1.18 0.00 0.00 179.01 178.86 3d0w h ASP 24 N 0.36 0.53 -0.35 1.04 2.03 -1.99 -0.41 116.42 117.63 3d0w h ASP 24 Ca 0.70 -0.21 -0.08 0.00 -0.73 0.00 0.00 57.03 56.71 3d0w h ASP 24 Cb 1.68 -0.15 -0.02 0.00 -0.83 0.00 0.00 39.33 40.01 3d0w h ASP 24 CO -0.49 0.84 -0.05 0.40 -1.03 0.00 0.00 179.24 178.91 3d0w h ILE 25 N 0.43 1.25 0.06 4.15 5.03 -1.39 -0.39 117.51 126.66 3d0w h ILE 25 Ca 0.05 -1.07 -0.00 0.00 -0.12 0.00 0.00 64.86 63.72 3d0w h ILE 25 Cb 0.82 0.97 0.00 0.00 -3.03 0.00 0.00 36.82 35.58 3d0w h ILE 25 CO 0.07 0.37 -0.03 -0.07 -0.68 0.00 0.00 178.15 177.80 3d0w h LEU 26 N 0.70 -0.07 -0.54 1.44 3.38 -1.28 -2.51 115.31 116.43 3d0w h LEU 26 Ca 0.13 -0.41 0.06 0.00 0.09 0.00 0.00 57.88 57.75 3d0w h LEU 26 Cb 0.51 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 3d0w h LEU 26 CO 0.03 0.38 0.24 0.50 0.09 0.00 0.00 178.44 179.68 3d0w h LYS 27 N -0.55 0.45 -0.94 1.13 3.64 -0.94 0.28 116.57 119.65 3d0w h LYS 27 Ca -0.01 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.38 3d0w h LYS 27 Cb 0.48 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.14 3d0w h LYS 27 CO 0.01 0.30 0.61 -0.44 -2.27 0.00 0.00 179.45 177.66 3d0w h ASP 28 N 0.46 1.01 -0.36 4.20 5.19 -1.09 0.58 116.42 126.40 3d0w h ASP 28 Ca 0.25 -0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 56.57 3d0w h ASP 28 Cb 0.22 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.49 3d0w h ASP 28 CO -0.21 0.69 -0.10 0.15 -3.12 0.00 0.00 179.24 176.65 3d0w h PHE 29 N 1.17 0.80 -1.01 4.55 3.57 -0.71 -0.51 116.94 124.81 3d0w h PHE 29 Ca 0.38 -0.18 0.05 0.00 3.53 0.00 0.00 57.97 61.75 3d0w h PHE 29 Cb 0.01 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 38.50 3d0w h PHE 29 CO -0.01 0.87 0.66 0.93 -2.23 0.00 0.00 178.31 178.52 3d0w h GLU 30 N 0.50 1.20 -0.29 1.11 4.39 0.32 0.26 114.58 122.06 3d0w h GLU 30 Ca 0.09 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.60 3d0w h GLU 30 Cb 0.62 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 3d0w h GLU 30 CO 0.04 0.79 -0.26 0.93 -1.16 0.00 0.00 179.01 179.35 3d0w h GLU 31 N 1.23 0.69 -0.01 2.33 5.08 -0.73 -0.97 114.58 122.21 3d0w h GLU 31 Ca 0.42 -0.35 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3d0w h GLU 31 Cb 0.08 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3d0w h GLU 31 CO -0.15 0.96 -0.09 0.35 -1.00 0.00 0.00 179.01 179.08 3d0w h PHE 32 N 0.44 -0.23 -0.85 4.33 3.57 -0.27 -0.05 116.94 123.87 3d0w h PHE 32 Ca 0.05 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.62 3d0w h PHE 32 Cb 0.82 0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.61 3d0w h PHE 32 CO 0.07 -0.14 0.53 -0.22 -2.23 0.00 0.00 178.31 176.32 3d0w h LYS 33 N -0.16 0.94 -0.18 1.11 3.64 -0.47 -1.38 116.57 120.07 3d0w h LYS 33 Ca 0.04 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 3d0w h LYS 33 Cb 0.21 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3d0w h LYS 33 CO -0.10 0.62 -0.15 0.78 -2.27 0.00 0.00 179.45 178.33 3d0w h GLY 34 N 0.97 0.31 1.21 5.01 0.00 -0.42 -0.92 103.07 109.22 3d0w h GLY 34 Ca 0.37 -0.20 -0.14 0.00 0.00 0.00 0.00 47.33 47.36 3d0w h GLY 34 CO -0.17 0.19 -0.29 -1.82 0.00 0.00 0.00 176.54 174.44 3d0w h TYR 35 N 0.27 1.04 -0.30 5.60 3.20 0.04 -0.83 116.97 125.99 3d0w h TYR 35 Ca 0.05 -0.27 -0.08 0.00 3.14 0.00 0.00 58.73 61.57 3d0w h TYR 35 Cb 0.43 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 3d0w h TYR 35 CO 0.01 1.07 -0.11 -0.07 -1.64 0.00 0.00 178.16 177.41 3d0w h LEU 36 N 0.75 0.61 -1.70 2.82 3.38 -0.98 -1.59 115.31 118.61 3d0w h LEU 36 Ca 0.08 -0.39 0.02 0.00 0.09 0.00 0.00 57.88 57.69 3d0w h LEU 36 Cb 0.86 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3d0w h LEU 36 CO 0.08 0.87 0.24 0.50 0.09 0.00 0.00 178.44 180.21 3d0w h LYS 37 N 0.36 0.38 -0.37 1.13 3.64 -1.06 -0.96 116.57 119.69 3d0w h LYS 37 Ca 0.07 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 3d0w h LYS 37 Cb 0.62 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 3d0w h LYS 37 CO 0.04 0.25 -0.01 0.87 -2.27 0.00 0.00 179.45 178.33 3d0w h LYS 38 N 0.39 0.66 -0.27 1.90 1.57 -0.60 -1.50 116.57 118.72 3d0w h LYS 38 Ca 0.14 -0.22 0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3d0w h LYS 38 Cb 0.09 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 3d0w h LYS 38 CO -0.03 0.77 0.08 1.96 -0.57 0.00 0.00 179.45 181.66 3d0w h GLN 39 N 0.48 0.18 0.41 3.15 1.08 -0.27 -2.09 115.11 118.06 3d0w h GLN 39 Ca 0.10 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.27 3d0w h GLN 39 Cb 0.48 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 3d0w h GLN 39 CO 0.02 0.12 -0.20 0.28 -0.95 0.00 0.00 178.83 178.10 3d0w h VAL 40 N 0.19 0.59 -0.29 -0.54 2.07 -1.10 -0.88 116.25 116.30 3d0w h VAL 40 Ca 0.12 -0.16 0.06 0.00 0.82 0.00 0.00 66.70 67.54 3d0w h VAL 40 Cb 0.11 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 3d0w h VAL 40 CO -0.14 0.03 -0.08 0.78 0.02 0.00 0.00 177.57 178.17 3d0w h ASN 41 N -0.65 -0.30 -0.67 0.57 -0.26 -1.23 0.32 115.58 113.36 3d0w h ASN 41 Ca -0.06 0.09 -0.01 0.00 -0.56 0.00 0.00 56.30 55.76 3d0w h ASN 41 Cb 0.48 0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 37.90 3d0w h ASN 41 CO 0.09 -0.11 0.37 0.03 -1.06 0.00 0.00 177.43 176.76 3d0w h ARG 42 N -0.02 0.93 -0.35 0.81 2.47 -1.39 0.56 114.38 117.39 3d0w h ARG 42 Ca 0.14 -0.11 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 3d0w h ARG 42 Cb 0.23 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.35 3d0w h ARG 42 CO -0.31 0.70 0.22 0.78 0.56 0.00 0.00 179.97 181.92 3d0w h GLY 43 N 0.92 0.50 1.39 0.04 0.00 -0.14 -0.88 103.07 104.89 3d0w h GLY 43 Ca 0.24 -0.20 -0.07 0.00 0.00 0.00 0.00 47.33 47.29 3d0w h GLY 43 CO -0.04 0.19 -0.03 0.50 0.00 0.00 0.00 176.54 177.17 3d0w h LYS 44 N 0.46 0.75 -0.55 4.80 1.57 -0.11 -2.56 116.57 120.94 3d0w h LYS 44 Ca 0.13 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3d0w h LYS 44 Cb -0.02 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 3d0w h LYS 44 CO -0.03 0.78 0.30 0.87 -0.57 0.00 0.00 179.45 180.80 3d0w h LYS 45 N 0.69 0.77 -0.69 3.15 1.79 -0.36 -0.04 116.57 121.88 3d0w h LYS 45 Ca 0.13 -0.09 -0.07 0.00 -2.18 0.00 0.00 60.65 58.45 3d0w h LYS 45 Cb 0.47 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.94 3d0w h LYS 45 CO 0.02 0.59 0.17 -0.07 -1.08 0.00 0.00 179.45 179.08 3d0w h LEU 46 N 0.74 1.04 -0.23 2.94 3.38 -0.96 -2.05 115.31 120.16 3d0w h LEU 46 Ca 0.19 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 3d0w h LEU 46 Cb 0.04 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 3d0w h LEU 46 CO -0.03 1.00 -0.26 1.23 0.09 0.00 0.00 178.44 180.47 3d0w h GLY 47 N 1.08 0.64 0.63 0.83 0.00 -1.21 -3.17 103.07 101.86 3d0w h GLY 47 Ca 0.22 -0.67 0.06 0.00 0.00 0.00 0.00 47.33 46.93 3d0w h GLY 47 CO 0.00 0.60 0.20 -2.00 0.00 0.00 0.00 176.54 175.34 3d0w h LEU 48 N 0.29 0.24 -2.61 3.11 7.12 -0.79 0.14 115.31 122.80 3d0w h LEU 48 Ca 0.03 0.05 0.00 0.00 0.13 0.00 0.00 57.88 58.09 3d0w h LEU 48 Cb 0.82 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.96 3d0w h LEU 48 CO 0.06 0.17 0.10 0.44 -0.13 0.00 0.00 178.44 179.08 3d0w h ASP 49 N 0.39 0.00 -0.40 1.25 3.32 -1.36 0.20 116.42 119.82 3d0w h ASP 49 Ca 0.22 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 3d0w h ASP 49 Cb 0.19 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 3d0w h ASP 49 CO -0.20 0.00 0.02 0.47 -1.72 0.00 0.00 179.24 177.81 3d0w n ASP 50 N -2.97 4.44 -3.17 6.45 8.00 0.29 -4.95 116.55 124.64 3d0w n ASP 50 Ca -0.03 -3.06 -0.23 0.00 0.71 0.00 0.00 54.79 52.18 3d0w n ASP 50 Cb 0.16 -0.61 0.04 0.00 -0.02 0.00 0.00 41.12 40.69 3d0w n ASP 50 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d0w n GLY 51 N -0.19 -0.53 3.13 0.44 0.00 0.71 -4.99 105.19 103.75 3d0w n GLY 51 Ca 0.26 0.16 -0.18 0.00 0.00 0.00 0.00 46.02 46.25 3d0w n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d0w s LYS 52 N -5.86 0.82 -0.26 1.61 1.02 -0.14 -5.00 119.74 111.93 3d0w s LYS 52 Ca 0.37 -0.77 -0.11 0.00 0.02 0.00 0.00 55.97 55.48 3d0w s LYS 52 Cb -0.17 -0.80 -0.05 0.00 -0.52 0.00 0.00 37.83 36.29 3d0w s LYS 52 CO 0.46 0.19 0.19 -0.51 -0.92 0.00 0.00 175.35 174.77 3d0w s LEU 53 N -1.27 4.07 -0.12 3.17 1.43 -1.26 -2.69 118.68 122.00 3d0w s LEU 53 Ca -0.01 0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.16 3d0w s LEU 53 Cb -0.08 -2.14 -0.02 0.00 0.03 0.00 0.00 46.19 43.97 3d0w s LEU 53 CO 0.01 -0.00 -0.09 -0.69 0.23 0.00 0.00 176.35 175.81 3d0w s VAL 54 N 1.43 3.46 0.30 -1.59 1.01 -1.26 -5.07 120.40 118.69 3d0w s VAL 54 Ca 0.08 -0.53 -0.28 0.00 0.00 0.00 0.00 61.98 61.26 3d0w s VAL 54 Cb -0.15 -2.46 -0.09 0.00 0.00 0.00 0.00 36.38 33.67 3d0w s VAL 54 CO 0.08 0.53 0.99 -0.54 0.00 0.00 0.00 175.10 176.16 3d0w s LYS 55 N 0.08 4.61 0.28 2.72 1.02 -1.26 -4.84 119.74 122.34 3d0w s LYS 55 Ca -0.03 1.50 -0.03 0.00 0.02 0.00 0.00 55.97 57.43 3d0w s LYS 55 Cb -0.14 -2.97 0.38 0.00 -0.52 0.00 0.00 37.83 34.58 3d0w s LYS 55 CO 0.04 0.27 1.94 0.77 -0.92 0.00 0.00 175.35 177.44 3d0w h SER 56 N 3.47 1.03 -0.20 2.83 0.02 -1.99 -2.17 113.55 116.55 3d0w h SER 56 Ca -0.46 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.41 3d0w h SER 56 Cb 1.20 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 3d0w h SER 56 CO 0.66 0.73 -0.04 0.00 -1.14 0.00 0.00 176.83 177.04 3d0w h ALA 57 N 1.44 1.34 -0.36 3.77 0.00 -1.93 -0.27 119.26 123.26 3d0w h ALA 57 Ca 0.35 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3d0w h ALA 57 Cb -0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3d0w h ALA 57 CO -0.09 0.45 -0.14 0.00 0.00 0.00 0.00 179.25 179.46 3d0w h ALA 58 N 1.48 0.50 -0.31 0.00 0.00 -1.79 -0.74 119.26 118.40 3d0w h ALA 58 Ca 0.10 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3d0w h ALA 58 Cb 0.37 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3d0w h ALA 58 CO 0.02 0.40 0.07 0.82 0.00 0.00 0.00 179.25 180.56 3d0w h ILE 59 N 0.51 1.22 -0.18 0.00 2.04 -0.99 -1.07 117.51 119.04 3d0w h ILE 59 Ca 0.08 -0.75 -0.08 0.00 1.00 0.00 0.00 64.86 65.11 3d0w h ILE 59 Cb 0.68 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 3d0w h ILE 59 CO 0.05 0.25 -0.24 -0.07 0.00 0.00 0.00 178.15 178.14 3d0w h LEU 60 N 0.34 0.33 -0.25 1.44 3.38 -1.03 -1.16 115.31 118.36 3d0w h LEU 60 Ca 0.10 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3d0w h LEU 60 Cb 0.31 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3d0w h LEU 60 CO 0.00 0.58 0.05 1.23 0.09 0.00 0.00 178.44 180.38 3d0w h GLY 61 N 0.98 0.44 1.19 0.83 0.00 -0.85 -0.97 103.07 104.68 3d0w h GLY 61 Ca 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3d0w h GLY 61 CO 0.04 0.27 0.52 -0.55 0.00 0.00 0.00 176.54 176.82 3d0w h ASP 62 N 0.23 0.95 0.19 0.19 3.32 -0.94 0.34 116.42 120.71 3d0w h ASP 62 Ca 0.08 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3d0w h ASP 62 Cb 0.32 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 3d0w h ASP 62 CO 0.00 0.71 -0.11 0.22 -1.72 0.00 0.00 179.24 178.34 3d0w h TYR 63 N 1.11 -0.28 -0.07 4.55 3.20 -0.79 -2.30 116.97 122.40 3d0w h TYR 63 Ca 0.30 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.11 3d0w h TYR 63 Cb -0.10 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 3d0w h TYR 63 CO 0.00 -0.17 -0.19 -0.07 -1.64 0.00 0.00 178.16 176.09 3d0w h LEU 64 N -0.28 0.10 -1.27 2.82 3.38 -0.83 -1.95 115.31 117.28 3d0w h LEU 64 Ca -0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3d0w h LEU 64 Cb 0.23 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3d0w h LEU 64 CO 0.03 0.30 0.00 0.00 0.09 0.00 0.00 178.44 178.86 3d0w h ALA 65 N 1.71 1.00 0.00 1.53 0.00 -0.38 -2.31 119.26 120.81 3d0w h ALA 65 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3d0w h ALA 65 Cb 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3d0w h ALA 65 CO 0.03 0.00 -0.20 0.87 0.00 0.00 0.00 179.25 179.94 3d0w h LYS 66 N 0.00 0.00 -5.87 0.00 1.57 -1.00 -3.47 116.57 107.79 3d0w h LYS 66 Ca 0.00 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.40 3d0w h LYS 66 Cb 0.27 0.00 0.11 0.00 0.08 0.00 0.00 32.23 32.69 3d0w h LYS 66 CO 0.00 0.20 -0.76 0.72 -0.57 0.00 0.00 179.45 179.05 3d0w n HIS 67 N -3.30 -2.34 -2.12 -1.35 8.25 -0.87 -4.95 115.22 108.55 3d0w n HIS 67 Ca 0.01 0.94 -0.37 0.00 -0.26 0.00 0.00 57.72 58.03 3d0w n HIS 67 Cb 0.46 -4.81 0.01 0.00 1.12 0.00 0.00 29.99 26.77 3d0w n HIS 67 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3d0w s GLU 68 N -5.89 3.56 0.10 -0.41 2.02 -1.26 -4.92 118.70 111.89 3d0w s GLU 68 Ca 0.24 1.90 -0.31 0.00 0.02 0.00 0.00 54.97 56.82 3d0w s GLU 68 Cb -0.11 -2.35 -0.10 0.00 0.10 0.00 0.00 34.13 31.67 3d0w s GLU 68 CO 0.76 -0.75 1.85 -2.00 0.02 0.00 0.00 175.26 175.14 3d0w s GLU 69 N -2.78 4.14 0.26 1.61 2.12 -1.26 -4.92 118.70 117.87 3d0w s GLU 69 Ca 0.66 2.58 -0.30 0.00 0.36 0.00 0.00 54.97 58.27 3d0w s GLU 69 Cb -0.32 -3.73 -0.11 0.00 0.26 0.00 0.00 34.13 30.23 3d0w s GLU 69 CO 0.38 -0.86 1.58 -2.14 -0.54 0.00 0.00 175.26 173.68 3d0w s PRO 70 N 3.16 4.16 0.00 4.30 0.02 -1.26 -4.91 135.00 140.47 3d0w s PRO 70 Ca 0.82 2.51 0.13 0.00 0.02 0.00 0.00 61.00 64.48 3d0w s PRO 70 Cb -0.45 -3.06 0.04 0.00 0.02 0.00 0.00 34.50 31.05 3d0w s PRO 70 CO 0.37 -0.61 0.79 1.04 -0.33 0.00 0.00 177.00 178.27 3d0w n GLN 71 N 2.59 1.50 -3.83 5.54 1.13 -1.26 -5.03 117.38 118.01 3d0w n GLN 71 Ca 0.09 -0.91 -0.06 0.00 -1.94 0.00 0.00 57.00 54.18 3d0w n GLN 71 Cb 0.38 -1.19 -0.02 0.00 0.11 0.00 0.00 30.24 29.52 3d0w n GLN 71 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3d0w s ASN 72 N -1.38 -0.24 0.39 1.08 2.20 -1.26 -5.04 114.94 110.69 3d0w s ASN 72 Ca 0.12 -0.56 0.11 0.00 -0.94 0.00 0.00 52.86 51.59 3d0w s ASN 72 Cb 0.10 0.67 0.90 0.00 -2.00 0.00 0.00 41.25 40.93 3d0w s ASN 72 CO 0.25 -1.24 1.93 1.23 -2.94 0.00 0.00 177.10 176.33 3d0w h GLY 73 N 2.00 0.87 1.00 0.45 0.00 -2.00 -2.31 103.07 103.07 3d0w h GLY 73 Ca -0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 3d0w h GLY 73 CO 0.24 0.12 -0.09 0.83 0.00 0.00 0.00 176.54 177.64 3d0w h GLU 74 N 0.58 -0.24 -1.66 4.80 3.07 -1.97 -1.23 114.58 117.92 3d0w h GLU 74 Ca 0.36 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 3d0w h GLU 74 Cb 0.59 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 3d0w h GLU 74 CO -0.13 -0.16 0.00 0.39 -1.40 0.00 0.00 179.01 177.72 3d0w n GLU 75 N -5.20 0.35 0.00 2.33 1.02 -0.87 -1.62 120.64 116.65 3d0w n GLU 75 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 3d0w n GLU 75 Cb 0.12 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 3d0w n GLU 75 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3d0w n LEU 77 N 0.85 0.00 -0.15 -4.62 7.94 -0.47 -1.51 117.00 119.05 3d0w n LEU 77 Ca 0.00 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.84 3d0w n LEU 77 Cb 0.17 0.00 0.03 0.00 0.53 0.00 0.00 43.42 44.16 3d0w n LEU 77 CO 0.00 0.00 1.02 -0.07 -1.11 0.00 0.00 177.39 177.23 3d0w h LEU 78 N 0.00 0.36 -0.74 -1.96 3.38 -1.56 -0.18 115.31 114.61 3d0w h LEU 78 Ca 0.00 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3d0w h LEU 78 Cb 0.00 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3d0w h LEU 78 CO 0.00 0.26 -0.04 1.56 0.09 0.00 0.00 178.44 180.30 3d0w h GLN 79 N 0.48 0.92 -0.50 1.13 1.08 -1.54 -0.50 115.11 116.17 3d0w h GLN 79 Ca 0.19 -0.29 -0.10 0.00 -1.45 0.00 0.00 58.65 57.00 3d0w h GLN 79 Cb 0.08 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 3d0w h GLN 79 CO -0.12 0.94 -0.10 0.93 -0.95 0.00 0.00 178.83 179.53 3d0w h GLU 80 N 0.84 0.92 -0.42 1.46 4.39 -1.72 -1.07 114.58 118.98 3d0w h GLU 80 Ca 0.15 -0.32 -0.06 0.00 0.34 0.00 0.00 59.36 59.47 3d0w h GLU 80 Cb 0.56 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 3d0w h GLU 80 CO 0.03 0.97 0.03 -0.07 -1.16 0.00 0.00 179.01 178.81 3d0w h LEU 81 N 0.83 0.70 -1.16 1.33 3.38 -0.81 -2.92 115.31 116.65 3d0w h LEU 81 Ca 0.14 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3d0w h LEU 81 Cb 0.63 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3d0w h LEU 81 CO 0.04 0.82 0.35 -0.25 0.09 0.00 0.00 178.44 179.49 3d0w h TRP 82 N 0.56 0.92 0.00 1.13 2.91 -0.86 -2.43 115.95 118.17 3d0w h TRP 82 Ca 0.12 -0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.12 3d0w h TRP 82 Cb 0.44 -0.29 -0.00 0.00 -0.51 0.00 0.00 29.16 28.80 3d0w h TRP 82 CO 0.03 0.65 -0.00 0.66 -1.03 0.00 0.00 178.44 178.75 3d0w h SER 83 N 0.94 0.00 -0.15 2.65 4.64 -1.00 -2.88 113.55 117.74 3d0w h SER 83 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 3d0w h SER 83 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3d0w h SER 83 CO -0.04 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.26 3d0w n VAL 84 N -3.10 0.43 -3.10 0.95 0.24 -0.95 -5.02 118.33 107.78 3d0w n VAL 84 Ca -0.00 -0.72 -0.39 0.00 -2.04 0.00 0.00 64.34 61.19 3d0w n VAL 84 Cb 0.24 0.91 -0.06 0.00 -1.47 0.00 0.00 33.84 33.46 3d0w n VAL 84 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3d0w s ALA 85 N -0.94 3.49 0.81 2.33 0.00 -1.00 -5.09 121.76 121.36 3d0w s ALA 85 Ca 0.17 0.21 -0.07 0.00 0.00 0.00 0.00 51.96 52.27 3d0w s ALA 85 Cb 0.10 -2.82 0.15 0.00 0.00 0.00 0.00 23.12 20.55 3d0w s ALA 85 CO 0.14 0.34 1.11 0.16 0.00 0.00 0.00 175.76 177.51 3d0w s ASP 86 N -1.23 3.95 0.26 0.00 1.47 -1.26 -4.79 116.67 115.07 3d0w s ASP 86 Ca 0.35 -0.05 -0.02 0.00 1.18 0.00 0.00 52.55 54.01 3d0w s ASP 86 Cb -0.21 -0.24 0.48 0.00 -0.34 0.00 0.00 42.92 42.61 3d0w s ASP 86 CO 0.23 -2.15 1.78 -0.08 0.68 0.00 0.00 175.17 175.63 3d0w h GLU 87 N -0.94 0.68 -0.33 2.11 4.81 -2.00 -1.17 114.58 117.75 3d0w h GLU 87 Ca -0.40 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 58.70 3d0w h GLU 87 Cb 1.26 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 3d0w h GLU 87 CO 0.42 0.45 -0.12 -0.44 -0.73 0.00 0.00 179.01 178.58 3d0w h ASP 88 N 0.70 0.68 0.03 1.04 3.32 -2.00 -2.76 116.42 117.43 3d0w h ASP 88 Ca 0.44 -0.39 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 3d0w h ASP 88 Cb 0.53 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3d0w h ASP 88 CO -0.31 0.91 -0.10 -0.33 -1.72 0.00 0.00 179.24 177.69 3d0w h GLU 89 N 0.44 0.16 -0.30 3.56 5.08 -1.75 -1.16 114.58 120.61 3d0w h GLU 89 Ca 0.08 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 3d0w h GLU 89 Cb 0.64 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3d0w h GLU 89 CO 0.04 0.27 -0.27 0.87 -1.00 0.00 0.00 179.01 178.93 3d0w h LYS 90 N 0.16 0.72 -0.47 2.33 1.57 -1.14 -0.25 116.57 119.49 3d0w h LYS 90 Ca 0.03 -0.37 -0.04 0.00 -1.87 0.00 0.00 60.65 58.41 3d0w h LYS 90 Cb 0.28 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3d0w h LYS 90 CO 0.02 0.98 0.12 0.93 -0.57 0.00 0.00 179.45 180.93 3d0w h GLU 91 N 0.47 0.75 -0.41 3.15 5.08 -1.16 -1.93 114.58 120.53 3d0w h GLU 91 Ca 0.05 -0.17 -0.12 0.00 -1.00 0.00 0.00 59.36 58.12 3d0w h GLU 91 Cb 0.83 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 3d0w h GLU 91 CO 0.07 0.73 -0.23 0.45 -1.00 0.00 0.00 179.01 179.02 3d0w h HIS 92 N 0.63 0.95 -0.28 4.33 3.86 -1.17 -1.95 115.15 121.52 3d0w h HIS 92 Ca 0.15 -0.22 -0.11 0.00 -1.16 0.00 0.00 60.37 59.03 3d0w h HIS 92 Cb 0.31 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 3d0w h HIS 92 CO 0.02 0.98 -0.28 1.25 0.86 0.00 0.00 177.93 180.75 3d0w h LEU 93 N 0.72 0.57 -0.74 2.43 5.85 -0.95 -0.93 115.31 122.26 3d0w h LEU 93 Ca 0.10 -0.21 -0.10 0.00 0.84 0.00 0.00 57.88 58.50 3d0w h LEU 93 Cb 0.76 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 3d0w h LEU 93 CO 0.06 0.83 -0.12 0.00 -0.34 0.00 0.00 178.44 178.88 3d0w h ALA 94 N 1.21 0.93 -0.46 1.25 0.00 -1.22 -0.80 119.26 120.17 3d0w h ALA 94 Ca 0.06 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 3d0w h ALA 94 Cb 0.74 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3d0w h ALA 94 CO 0.06 0.62 0.07 1.96 0.00 0.00 0.00 179.25 181.96 3d0w h GLN 95 N 0.76 0.76 -0.63 0.00 4.20 -0.97 -1.94 115.11 117.29 3d0w h GLN 95 Ca 0.12 -0.21 -0.08 0.00 0.06 0.00 0.00 58.65 58.54 3d0w h GLN 95 Cb 0.62 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 3d0w h GLN 95 CO 0.04 0.78 0.08 1.25 -0.67 0.00 0.00 178.83 180.31 3d0w h LEU 96 N 0.63 1.00 -1.35 1.46 5.85 -0.98 -2.41 115.31 119.52 3d0w h LEU 96 Ca 0.14 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 3d0w h LEU 96 Cb 0.40 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3d0w h LEU 96 CO 0.01 1.01 -0.07 0.25 -0.34 0.00 0.00 178.44 179.30 3d0w h LEU 97 N 0.97 0.32 -0.56 2.25 5.85 -0.95 -0.86 115.31 122.33 3d0w h LEU 97 Ca 0.19 -0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.74 3d0w h LEU 97 Cb 0.46 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 3d0w h LEU 97 CO 0.02 0.44 -0.07 0.58 -0.34 0.00 0.00 178.44 179.07 3d0w h VAL 98 N 0.33 1.27 -0.45 1.05 2.07 -0.87 -0.11 116.25 119.54 3d0w h VAL 98 Ca 0.07 -1.23 -0.07 0.00 0.82 0.00 0.00 66.70 66.29 3d0w h VAL 98 Cb 0.34 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3d0w h VAL 98 CO 0.02 0.44 -0.01 0.11 0.02 0.00 0.00 177.57 178.15 3d0w h LYS 99 N 0.93 0.73 -0.33 1.57 1.57 -1.05 -1.19 116.57 118.80 3d0w h LYS 99 Ca 0.15 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 3d0w h LYS 99 Cb 0.64 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 3d0w h LYS 99 CO 0.04 0.75 -0.08 1.25 -0.57 0.00 0.00 179.45 180.85 3d0w h LEU 100 N 0.69 0.64 -0.55 2.94 6.46 -0.80 -2.83 115.31 121.85 3d0w h LEU 100 Ca 0.14 -0.36 -0.01 0.00 -0.12 0.00 0.00 57.88 57.52 3d0w h LEU 100 Cb 0.43 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.16 3d0w h LEU 100 CO 0.02 0.85 0.30 0.58 -0.62 0.00 0.00 178.44 179.57 3d0w h VAL 101 N 0.41 1.18 -0.19 1.05 2.07 -0.73 -2.63 116.25 117.42 3d0w h VAL 101 Ca 0.08 -0.46 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 3d0w h VAL 101 Cb 0.57 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 3d0w h VAL 101 CO 0.03 0.20 0.07 0.47 0.02 0.00 0.00 177.57 178.36 3d0w n ASP 102 N -4.61 2.62 -4.83 0.57 8.00 -0.48 -4.92 116.55 112.89 3d0w n ASP 102 Ca 0.03 -2.30 -0.33 0.00 0.71 0.00 0.00 54.79 52.90 3d0w n ASP 102 Cb 0.08 -0.56 -0.07 0.00 -0.02 0.00 0.00 41.12 40.56 3d0w n ASP 102 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3d0w s LYS 103 N -1.17 4.17 0.00 -1.24 2.20 -0.99 -5.01 119.74 117.69 3d0w s LYS 103 Ca 0.14 1.03 0.00 0.00 -0.36 0.00 0.00 55.97 56.77 3d0w s LYS 103 Cb 0.11 -2.22 0.00 0.00 -1.51 0.00 0.00 37.83 34.21 3d0w s LYS 103 CO 0.03 -0.02 0.00 0.00 -0.36 0.00 0.00 175.35 175.01