#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1owf s LEU 3 N 0.00 4.39 0.41 0.00 2.96 -1.26 -5.01 118.68 120.18 1owf s LEU 3 Ca 0.00 2.39 0.04 0.00 -0.22 0.00 0.00 54.13 56.34 1owf s LEU 3 Cb 0.00 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 1owf s LEU 3 CO 0.00 -0.60 0.06 0.42 -1.32 0.00 0.00 176.35 174.91 1owf s THR 4 N 0.58 1.11 0.26 3.68 -4.23 -1.26 -5.03 115.64 110.75 1owf s THR 4 Ca 0.61 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.08 1owf s THR 4 Cb -0.37 -2.52 0.18 0.00 1.34 0.00 0.00 72.50 71.13 1owf s THR 4 CO 0.35 0.00 1.84 0.11 -0.54 0.00 0.00 174.62 176.38 1owf h LYS 5 N 1.76 0.99 -0.01 3.99 1.57 -1.99 -1.65 116.57 121.22 1owf h LYS 5 Ca -0.40 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 1owf h LYS 5 Cb 1.27 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.41 1owf h LYS 5 CO 0.68 0.81 0.01 0.00 -0.57 0.00 0.00 179.45 180.38 1owf h ALA 6 N 1.32 0.01 -0.88 3.86 0.00 -1.99 -0.84 119.26 120.74 1owf h ALA 6 Ca 0.23 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1owf h ALA 6 Cb 0.19 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1owf h ALA 6 CO -0.02 -0.49 0.52 0.93 0.00 0.00 0.00 179.25 180.20 1owf h GLU 7 N 0.01 1.19 -0.55 0.00 5.08 -1.89 0.00 114.58 118.43 1owf h GLU 7 Ca 0.00 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 1owf h GLU 7 Cb 0.00 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 28.98 1owf h GLU 7 CO -0.00 0.83 0.05 0.52 -1.00 0.00 0.00 179.01 179.42 1owf h MET 8 N 1.21 0.90 -0.49 2.33 2.86 -0.97 -1.59 114.93 119.19 1owf h MET 8 Ca 0.31 -0.23 -0.10 0.00 -2.06 0.00 0.00 59.70 57.62 1owf h MET 8 Cb -0.05 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.49 1owf h MET 8 CO -0.06 0.86 -0.07 0.77 1.06 0.00 0.00 176.91 179.47 1owf h SER 9 N 0.84 0.90 -0.56 1.22 0.02 -0.45 -2.13 113.55 113.39 1owf h SER 9 Ca 0.17 -0.34 0.05 0.00 -0.84 0.00 0.00 61.79 60.82 1owf h SER 9 Cb 0.43 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.68 1owf h SER 9 CO 0.01 1.03 0.30 -0.08 -1.14 0.00 0.00 176.83 176.96 1owf h GLU 10 N 0.76 0.56 -0.74 3.45 4.57 -0.66 -1.49 114.58 121.02 1owf h GLU 10 Ca 0.13 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.23 1owf h GLU 10 Cb 0.61 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.04 1owf h GLU 10 CO 0.04 0.37 0.28 1.88 -1.18 0.00 0.00 179.01 180.40 1owf h TYR 11 N 0.57 1.13 -0.06 0.92 -1.99 -1.02 -1.69 116.97 114.83 1owf h TYR 11 Ca 0.25 -0.09 -0.06 0.00 2.00 0.00 0.00 58.73 60.83 1owf h TYR 11 Cb 0.13 -0.34 -0.01 0.00 2.00 0.00 0.00 36.73 38.52 1owf h TYR 11 CO -0.09 0.87 -0.25 -0.07 -0.00 0.00 0.00 178.16 178.62 1owf h LEU 12 N 1.08 0.10 0.18 3.88 3.38 -0.80 0.83 115.31 123.96 1owf h LEU 12 Ca 0.25 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1owf h LEU 12 Cb 0.23 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1owf h LEU 12 CO -0.02 0.36 -0.09 0.15 0.09 0.00 0.00 178.44 178.93 1owf h PHE 13 N 0.10 -0.22 0.20 1.13 3.57 -0.71 -2.10 116.94 118.91 1owf h PHE 13 Ca 0.02 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1owf h PHE 13 Cb 0.50 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.31 1owf h PHE 13 CO 0.00 0.11 -0.10 -0.44 -2.23 0.00 0.00 178.31 175.66 1owf h ASP 14 N -0.58 -0.23 -0.24 0.41 3.32 -1.13 -0.78 116.42 117.19 1owf h ASP 14 Ca -0.02 -0.23 -0.12 0.00 0.02 0.00 0.00 57.03 56.67 1owf h ASP 14 Cb 0.43 0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 1owf h ASP 14 CO 0.04 0.12 -0.32 0.50 -1.72 0.00 0.00 179.24 177.86 1owf h LYS 15 N -0.62 0.65 -0.01 3.56 1.63 -0.96 -3.35 116.57 117.47 1owf h LYS 15 Ca -0.03 -0.37 0.00 0.00 -0.85 0.00 0.00 60.65 59.40 1owf h LYS 15 Cb 0.45 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 1owf h LYS 15 CO 0.05 0.99 -0.06 1.28 -3.45 0.00 0.00 179.45 178.25 1owf n LEU 16 N -4.27 1.85 -2.61 5.20 4.77 -0.80 -5.00 117.00 116.14 1owf n LEU 16 Ca -0.05 -0.94 -0.19 0.00 -0.03 0.00 0.00 56.01 54.80 1owf n LEU 16 Cb 0.49 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.61 1owf n LEU 16 CO 0.45 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 1owf n GLY 17 N 0.76 -0.34 3.89 -0.72 0.00 -0.30 -4.99 105.19 103.47 1owf n GLY 17 Ca 0.07 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1owf n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1owf s LEU 18 N -5.78 3.28 0.51 0.99 1.43 -1.18 -5.01 118.68 112.91 1owf s LEU 18 Ca 0.26 1.19 -0.20 0.00 -1.03 0.00 0.00 54.13 54.35 1owf s LEU 18 Cb -0.12 -4.16 -0.07 0.00 0.03 0.00 0.00 46.19 41.88 1owf s LEU 18 CO 0.33 -0.88 1.09 -0.94 0.23 0.00 0.00 176.35 176.17 1owf s SER 19 N -4.20 6.08 0.60 2.29 1.04 -1.26 -4.51 113.70 113.73 1owf s SER 19 Ca 0.53 2.07 0.32 0.00 0.48 0.00 0.00 55.95 59.35 1owf s SER 19 Cb -0.11 -2.57 1.90 0.00 0.10 0.00 0.00 66.02 65.33 1owf s SER 19 CO 0.51 -0.97 2.27 0.11 0.98 0.00 0.00 173.24 176.13 1owf h LYS 20 N 1.48 0.00 -0.07 4.02 1.57 -1.95 -0.27 116.57 121.35 1owf h LYS 20 Ca -0.50 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.14 1owf h LYS 20 Cb 1.24 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.56 1owf h LYS 20 CO 0.58 0.00 -0.52 -0.09 -0.57 0.00 0.00 179.45 178.86 1owf h ARG 21 N 0.00 0.47 -0.02 3.15 2.43 -2.00 -2.79 114.38 115.62 1owf h ARG 21 Ca -0.00 -0.42 -0.21 0.00 -0.81 0.00 0.00 59.98 58.54 1owf h ARG 21 Cb 0.01 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1owf h ARG 21 CO 0.00 1.06 -0.88 -0.44 -1.51 0.00 0.00 179.97 178.19 1owf h ASP 22 N 0.03 0.53 -0.72 -3.80 3.32 -1.79 -2.62 116.42 111.37 1owf h ASP 22 Ca -0.05 -0.40 0.03 0.00 0.02 0.00 0.00 57.03 56.63 1owf h ASP 22 Cb 1.18 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.53 1owf h ASP 22 CO 0.11 1.19 0.45 0.00 -1.72 0.00 0.00 179.24 179.27 1owf h ALA 23 N 0.79 0.93 -0.80 3.45 0.00 -1.15 0.43 119.26 122.92 1owf h ALA 23 Ca -0.07 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1owf h ALA 23 Cb 1.50 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 1owf h ALA 23 CO 0.15 0.25 0.32 -0.22 0.00 0.00 0.00 179.25 179.75 1owf h LYS 24 N 0.89 1.19 -0.02 0.00 3.64 -1.45 -2.38 116.57 118.45 1owf h LYS 24 Ca 0.28 -0.22 -0.23 0.00 -1.27 0.00 0.00 60.65 59.22 1owf h LYS 24 Cb -0.00 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 1owf h LYS 24 CO -0.10 0.96 -0.91 1.49 -2.27 0.00 0.00 179.45 178.62 1owf h GLU 25 N 1.16 0.48 -0.48 1.90 4.81 -0.97 -2.93 114.58 118.55 1owf h GLU 25 Ca 0.27 -0.48 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 1owf h GLU 25 Cb 0.22 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1owf h GLU 25 CO -0.02 1.13 0.24 -0.07 -0.73 0.00 0.00 179.01 179.56 1owf h LEU 26 N 0.28 0.62 -0.22 1.64 3.38 0.00 0.36 115.31 121.37 1owf h LEU 26 Ca -0.08 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1owf h LEU 26 Cb 1.54 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 1owf h LEU 26 CO 0.16 0.56 0.12 0.58 0.09 0.00 0.00 178.44 179.96 1owf h VAL 27 N 0.63 1.02 -0.68 1.22 2.07 -1.47 0.90 116.25 119.93 1owf h VAL 27 Ca 0.17 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.56 1owf h VAL 27 Cb 0.10 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1owf h VAL 27 CO -0.02 0.05 0.27 -0.08 0.02 0.00 0.00 177.57 177.80 1owf h GLU 28 N 0.25 1.03 -0.86 1.57 4.57 -1.31 -2.46 114.58 117.37 1owf h GLU 28 Ca 0.08 -0.19 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 1owf h GLU 28 Cb 0.00 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.38 1owf h GLU 28 CO -0.04 0.86 0.49 -0.07 -1.18 0.00 0.00 179.01 179.06 1owf h LEU 29 N 0.98 1.05 0.01 1.64 3.38 -0.54 -1.54 115.31 120.28 1owf h LEU 29 Ca 0.23 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1owf h LEU 29 Cb 0.22 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1owf h LEU 29 CO -0.02 0.83 -0.26 0.15 0.09 0.00 0.00 178.44 179.24 1owf h PHE 30 N 1.19 -0.70 -0.19 1.13 3.57 -0.37 0.21 116.94 121.77 1owf h PHE 30 Ca 0.30 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.70 1owf h PHE 30 Cb -0.00 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 1owf h PHE 30 CO 0.00 -0.35 -0.44 0.74 -2.23 0.00 0.00 178.31 176.03 1owf h PHE 31 N -0.41 0.56 -0.65 0.41 0.04 -1.36 -2.91 116.94 112.63 1owf h PHE 31 Ca 0.06 -0.17 -0.08 0.00 2.80 0.00 0.00 57.97 60.58 1owf h PHE 31 Cb 0.49 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.49 1owf h PHE 31 CO -0.29 0.83 0.08 1.49 -0.60 0.00 0.00 178.31 179.82 1owf h GLU 32 N 0.38 1.09 -0.10 1.51 4.57 -0.86 -1.01 114.58 120.16 1owf h GLU 32 Ca 0.03 -0.30 -0.05 0.00 -1.18 0.00 0.00 59.36 57.86 1owf h GLU 32 Cb 0.92 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.38 1owf h GLU 32 CO 0.08 1.01 -0.15 1.49 -1.18 0.00 0.00 179.01 180.26 1owf h GLU 33 N 1.01 0.16 -0.07 1.92 4.57 -0.48 0.25 114.58 121.95 1owf h GLU 33 Ca 0.20 -0.04 -0.22 0.00 -1.18 0.00 0.00 59.36 58.12 1owf h GLU 33 Cb 0.47 -0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.05 1owf h GLU 33 CO 0.02 0.32 -0.81 0.82 -1.18 0.00 0.00 179.01 178.18 1owf h ILE 34 N 0.15 1.31 -0.12 2.32 2.04 -1.26 -2.75 117.51 119.21 1owf h ILE 34 Ca 0.03 -2.07 -0.00 0.00 1.00 0.00 0.00 64.86 63.82 1owf h ILE 34 Cb 0.37 2.25 -0.01 0.00 -0.74 0.00 0.00 36.82 38.70 1owf h ILE 34 CO 0.02 0.64 0.07 0.03 0.00 0.00 0.00 178.15 178.91 1owf h ARG 35 N 0.33 0.16 -0.54 2.37 3.08 -0.56 -2.08 114.38 117.14 1owf h ARG 35 Ca -0.08 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.03 1owf h ARG 35 Cb 1.46 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 31.42 1owf h ARG 35 CO 0.16 0.15 0.21 0.00 -1.07 0.00 0.00 179.97 179.42 1owf h ARG 36 N 0.13 0.38 -0.70 0.04 3.08 -0.57 0.57 114.38 117.31 1owf h ARG 36 Ca 0.04 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1owf h ARG 36 Cb 0.03 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 1owf h ARG 36 CO -0.01 0.25 0.43 0.00 -1.07 0.00 0.00 179.97 179.57 1owf h ALA 37 N 1.35 0.89 -0.42 0.04 0.00 -1.32 -2.22 119.26 117.59 1owf h ALA 37 Ca 0.26 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 1owf h ALA 37 Cb 0.28 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1owf h ALA 37 CO -0.25 0.36 -0.27 -0.07 0.00 0.00 0.00 179.25 179.02 1owf h LEU 38 N 0.95 0.92 -0.91 0.00 3.38 -0.63 -0.58 115.31 118.45 1owf h LEU 38 Ca 0.25 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1owf h LEU 38 Cb -0.04 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.46 1owf h LEU 38 CO -0.05 1.13 0.00 1.05 0.09 0.00 0.00 178.44 180.66 1owf h GLU 39 N 0.76 0.00 -0.49 1.13 4.11 -0.69 -1.17 114.58 118.24 1owf h GLU 39 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.52 1owf h GLU 39 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1owf h GLU 39 CO 0.07 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.24 1owf n ASN 40 N -2.48 2.60 0.00 3.06 4.13 -0.85 -4.91 115.26 116.80 1owf n ASN 40 Ca 0.02 -2.03 0.00 0.00 1.68 0.00 0.00 54.58 54.24 1owf n ASN 40 Cb 0.26 -0.33 0.00 0.00 -1.54 0.00 0.00 39.78 38.16 1owf n ASN 40 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1owf n GLY 41 N 1.20 0.49 3.81 7.41 0.00 -0.44 -5.01 105.19 112.65 1owf n GLY 41 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1owf n GLY 41 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1owf s GLU 42 N -0.38 4.11 0.33 1.61 2.12 -0.28 -4.97 118.70 121.24 1owf s GLU 42 Ca 0.00 0.61 -0.27 0.00 0.36 0.00 0.00 54.97 55.67 1owf s GLU 42 Cb 0.00 -3.24 -0.09 0.00 0.26 0.00 0.00 34.13 31.05 1owf s GLU 42 CO 0.00 0.63 1.06 -1.14 -0.54 0.00 0.00 175.26 175.27 1owf s GLN 43 N -1.00 4.47 -0.22 4.30 0.74 -1.26 -3.97 119.66 122.73 1owf s GLN 43 Ca 0.27 1.64 -0.03 0.00 0.05 0.00 0.00 55.36 57.30 1owf s GLN 43 Cb -0.18 -2.93 0.00 0.00 1.10 0.00 0.00 33.01 31.00 1owf s GLN 43 CO 0.17 0.10 -0.08 0.08 -0.55 0.00 0.00 175.29 175.01 1owf s VAL 44 N -1.38 3.04 -0.31 1.34 1.01 -0.95 -5.01 120.40 118.15 1owf s VAL 44 Ca 0.50 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1owf s VAL 44 Cb -0.27 -2.39 0.06 0.00 0.00 0.00 0.00 36.38 33.79 1owf s VAL 44 CO 0.34 0.41 -0.00 -0.54 0.00 0.00 0.00 175.10 175.31 1owf s LYS 45 N 1.42 2.23 -0.62 2.72 1.02 -1.26 -1.00 119.74 124.25 1owf s LYS 45 Ca 0.05 -1.42 -0.08 0.00 0.02 0.00 0.00 55.97 54.54 1owf s LYS 45 Cb -0.14 -3.15 0.16 0.00 -0.52 0.00 0.00 37.83 34.18 1owf s LYS 45 CO -0.05 -0.69 0.49 -0.51 -0.92 0.00 0.00 175.35 173.67 1owf s LEU 46 N 1.16 5.84 0.30 3.17 1.43 -0.63 -5.01 118.68 124.94 1owf s LEU 46 Ca -0.03 -2.44 -0.28 0.00 -1.03 0.00 0.00 54.13 50.35 1owf s LEU 46 Cb -0.20 -2.02 -0.14 0.00 0.03 0.00 0.00 46.19 43.87 1owf s LEU 46 CO -0.03 -0.56 1.13 -0.24 0.23 0.00 0.00 176.35 176.88 1owf n SER 47 N 4.19 1.85 0.00 2.29 2.88 -1.26 -0.90 113.62 122.67 1owf n SER 47 Ca 0.03 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 1owf n SER 47 Cb 0.41 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 1owf n SER 47 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1owf n GLY 48 N 1.19 2.23 0.00 0.46 0.00 -1.26 -4.79 105.19 103.02 1owf n GLY 48 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1owf n GLY 48 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1owf n PHE 49 N -2.00 0.00 -0.38 1.61 7.35 -0.08 -4.17 117.46 119.79 1owf n PHE 49 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1owf n PHE 49 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1owf n PHE 49 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1owf n GLY 50 N 3.28 -1.35 3.59 7.13 0.00 -0.29 -0.66 105.19 116.89 1owf n GLY 50 Ca 0.00 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 1owf n GLY 50 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1owf s ASN 51 N -0.48 4.63 -0.32 1.61 0.01 -0.68 -1.61 114.94 118.10 1owf s ASN 51 Ca 0.00 -0.09 -0.08 0.00 -0.71 0.00 0.00 52.86 51.98 1owf s ASN 51 Cb 0.00 -1.11 0.02 0.00 0.41 0.00 0.00 41.25 40.56 1owf s ASN 51 CO 0.00 0.32 0.12 -0.36 -1.51 0.00 0.00 177.10 175.66 1owf s PHE 52 N -0.92 3.19 0.14 2.20 0.40 -0.17 -0.04 117.98 122.79 1owf s PHE 52 Ca 0.15 -1.01 0.08 0.00 -0.60 0.00 0.00 56.93 55.55 1owf s PHE 52 Cb -0.11 -2.31 -0.04 0.00 0.51 0.00 0.00 43.02 41.07 1owf s PHE 52 CO 0.05 -0.60 -0.09 -0.51 0.70 0.00 0.00 175.22 174.76 1owf s ASP 53 N 1.51 4.35 -0.16 1.36 1.01 0.78 -2.24 116.67 123.27 1owf s ASP 53 Ca 0.02 -0.47 -0.08 0.00 0.71 0.00 0.00 52.55 52.73 1owf s ASP 53 Cb -0.18 -0.79 -0.04 0.00 1.01 0.00 0.00 42.92 42.92 1owf s ASP 53 CO 0.04 0.14 0.11 -0.76 0.21 0.00 0.00 175.17 174.91 1owf s LEU 54 N -2.52 4.18 -0.04 1.23 1.43 -1.26 -0.15 118.68 121.55 1owf s LEU 54 Ca 0.23 0.30 0.04 0.00 -1.03 0.00 0.00 54.13 53.67 1owf s LEU 54 Cb -0.10 -2.04 -0.00 0.00 0.03 0.00 0.00 46.19 44.08 1owf s LEU 54 CO 0.15 0.29 -0.15 -0.13 0.23 0.00 0.00 176.35 176.74 1owf s ARG 55 N -0.31 1.61 -0.32 1.70 0.52 -0.24 -4.96 118.95 116.95 1owf s ARG 55 Ca 0.11 -0.53 -0.15 0.00 -0.52 0.00 0.00 55.73 54.64 1owf s ARG 55 Cb -0.12 -1.41 -0.02 0.00 0.52 0.00 0.00 34.95 33.93 1owf s ARG 55 CO 0.01 0.20 0.34 -0.51 0.02 0.00 0.00 175.30 175.36 1owf s ASP 56 N 0.13 6.17 -0.17 0.23 1.01 -1.26 -0.43 116.67 122.36 1owf s ASP 56 Ca -0.05 -0.12 -0.07 0.00 0.71 0.00 0.00 52.55 53.02 1owf s ASP 56 Cb -0.11 -2.19 -0.04 0.00 1.01 0.00 0.00 42.92 41.59 1owf s ASP 56 CO 0.02 -0.28 0.06 -0.54 0.21 0.00 0.00 175.17 174.65 1owf s LYS 57 N 1.99 3.84 0.78 8.23 -0.14 0.16 -4.99 119.74 129.60 1owf s LYS 57 Ca 0.12 -0.33 -0.12 0.00 -1.36 0.00 0.00 55.97 54.28 1owf s LYS 57 Cb -0.16 -3.17 0.06 0.00 -1.68 0.00 0.00 37.83 32.87 1owf s LYS 57 CO 0.11 0.36 1.12 -0.80 -0.76 0.00 0.00 175.35 175.39 1owf s ASN 58 N 0.12 4.78 0.61 2.83 0.01 -1.26 -1.41 114.94 120.62 1owf s ASN 58 Ca 0.05 1.07 -0.18 0.00 -0.71 0.00 0.00 52.86 53.09 1owf s ASN 58 Cb -0.12 -1.75 -0.02 0.00 0.41 0.00 0.00 41.25 39.76 1owf s ASN 58 CO 0.01 -1.76 1.20 -1.58 -1.51 0.00 0.00 177.10 173.46 1owf s GLN 59 N -5.36 2.85 0.18 -0.60 0.74 -1.26 -4.57 119.66 111.64 1owf s GLN 59 Ca 0.60 1.80 -0.17 0.00 0.05 0.00 0.00 55.36 57.64 1owf s GLN 59 Cb -0.12 -1.92 0.03 0.00 1.10 0.00 0.00 33.01 32.10 1owf s GLN 59 CO 0.52 -1.29 0.48 -0.98 -0.55 0.00 0.00 175.29 173.47 1owf s ARG 60 N -3.45 1.29 0.07 1.67 1.70 -0.83 -4.96 118.95 114.44 1owf s ARG 60 Ca 0.77 -0.83 -0.31 0.00 -0.47 0.00 0.00 55.73 54.89 1owf s ARG 60 Cb -0.30 0.50 -0.07 0.00 -0.57 0.00 0.00 34.95 34.51 1owf s ARG 60 CO 0.35 -0.54 1.43 -1.25 -1.08 0.00 0.00 175.30 174.22 1owf s PRO 61 N -3.86 4.29 0.22 3.89 0.04 -1.26 0.27 135.00 138.59 1owf s PRO 61 Ca 0.08 2.08 0.05 0.00 0.04 0.00 0.00 61.00 63.24 1owf s PRO 61 Cb -0.00 -3.40 -0.02 0.00 0.04 0.00 0.00 34.50 31.12 1owf s PRO 61 CO -0.05 -0.53 0.18 0.41 0.04 0.00 0.00 177.00 177.05 1owf n GLY 62 N 3.62 3.31 3.79 0.56 0.00 0.00 -4.75 105.19 111.72 1owf n GLY 62 Ca 0.13 -1.84 -0.05 0.00 0.00 0.00 0.00 46.02 44.26 1owf n GLY 62 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1owf s ARG 63 N -2.91 1.42 -0.80 1.61 1.70 -1.20 0.69 118.95 119.47 1owf s ARG 63 Ca 0.25 -0.78 -0.23 0.00 -0.47 0.00 0.00 55.73 54.50 1owf s ARG 63 Cb 0.01 0.49 0.07 0.00 -0.57 0.00 0.00 34.95 34.95 1owf s ARG 63 CO 0.18 -0.65 1.16 1.21 -1.08 0.00 0.00 175.30 176.12 1owf s ASN 64 N -2.92 6.31 0.34 -2.89 3.84 -0.86 -4.83 114.94 113.93 1owf s ASN 64 Ca 0.12 -1.14 0.12 0.00 0.21 0.00 0.00 52.86 52.17 1owf s ASN 64 Cb -0.03 -2.48 1.08 0.00 -0.55 0.00 0.00 41.25 39.27 1owf s ASN 64 CO 0.04 -1.48 1.58 -0.65 -2.79 0.00 0.00 177.10 173.80 1owf h PRO 65 N 9.59 0.03 0.63 0.43 0.11 -1.95 -1.10 132.00 139.74 1owf h PRO 65 Ca -0.11 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.97 1owf h PRO 65 Cb 1.05 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1owf h PRO 65 CO 1.24 0.02 -0.42 0.87 -0.21 0.00 0.00 178.00 179.49 1owf h LYS 66 N 0.03 -0.96 0.00 1.05 1.79 -2.01 -3.41 116.57 113.05 1owf h LYS 66 Ca 0.74 0.07 0.00 0.00 -2.18 0.00 0.00 60.65 59.27 1owf h LYS 66 Cb 1.78 0.22 0.00 0.00 -1.58 0.00 0.00 32.23 32.65 1owf h LYS 66 CO -0.82 -0.64 0.00 0.25 -1.08 0.00 0.00 179.45 177.16 1owf n THR 67 N -5.08 0.00 0.00 -0.16 -2.24 -0.54 -5.05 114.28 101.21 1owf n THR 67 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1owf n THR 67 Cb 0.42 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 1owf n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1owf n GLY 68 N 3.26 0.00 3.52 3.38 0.00 -0.53 -4.97 105.19 109.86 1owf n GLY 68 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1owf n GLY 68 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1owf n GLU 69 N 0.00 1.49 -1.68 1.61 1.02 -1.26 -4.61 120.64 117.21 1owf n GLU 69 Ca 0.00 0.39 -0.46 0.00 -0.02 0.00 0.00 57.16 57.07 1owf n GLU 69 Cb 0.00 -2.87 -0.04 0.00 -0.02 0.00 0.00 31.44 28.51 1owf n GLU 69 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1owf n ASP 70 N 11.01 3.49 -3.79 1.62 9.92 -1.26 -2.03 116.55 135.51 1owf n ASP 70 Ca 0.36 1.02 -0.20 0.00 -0.53 0.00 0.00 54.79 55.44 1owf n ASP 70 Cb 0.35 -1.44 -0.17 0.00 -0.64 0.00 0.00 41.12 39.22 1owf n ASP 70 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1owf s ILE 71 N 2.58 0.25 -0.01 0.53 1.01 0.22 -4.91 121.20 120.87 1owf s ILE 71 Ca 0.85 0.11 -0.30 0.00 0.00 0.00 0.00 60.65 61.31 1owf s ILE 71 Cb -0.63 -0.38 -0.05 0.00 0.01 0.00 0.00 42.46 41.41 1owf s ILE 71 CO 0.43 0.20 1.36 -2.16 0.00 0.00 0.00 174.94 174.76 1owf s PRO 72 N 1.45 4.30 -0.38 2.79 0.04 -1.26 -0.82 135.00 141.12 1owf s PRO 72 Ca -0.04 1.91 -0.29 0.00 0.04 0.00 0.00 61.00 62.63 1owf s PRO 72 Cb -0.13 -3.56 0.01 0.00 0.04 0.00 0.00 34.50 30.86 1owf s PRO 72 CO -0.03 -0.54 1.40 0.42 0.04 0.00 0.00 177.00 178.29 1owf s ILE 73 N 2.31 3.94 0.79 0.56 1.01 0.14 -4.84 121.20 125.11 1owf s ILE 73 Ca 0.62 0.99 -0.14 0.00 0.00 0.00 0.00 60.65 62.12 1owf s ILE 73 Cb -0.30 -4.17 0.05 0.00 0.01 0.00 0.00 42.46 38.05 1owf s ILE 73 CO 0.26 -0.68 1.03 0.35 0.00 0.00 0.00 174.94 175.90 1owf n THR 74 N 6.86 2.09 -1.96 2.92 -2.24 -1.26 -1.97 114.28 118.72 1owf n THR 74 Ca 0.16 -0.26 -0.39 0.00 -2.27 0.00 0.00 64.05 61.29 1owf n THR 74 Cb 0.48 -1.10 0.01 0.00 -2.10 0.00 0.00 70.33 67.62 1owf n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1owf s ALA 75 N -2.04 3.07 0.02 6.98 0.00 -1.26 -4.65 121.76 123.88 1owf s ALA 75 Ca 0.72 1.26 -0.28 0.00 0.00 0.00 0.00 51.96 53.66 1owf s ALA 75 Cb -0.30 -3.51 0.10 0.00 0.00 0.00 0.00 23.12 19.40 1owf s ALA 75 CO 0.52 -1.03 0.82 -0.98 0.00 0.00 0.00 175.76 175.09 1owf s ARG 76 N -2.56 0.92 -0.20 0.00 1.70 -0.50 -4.95 118.95 113.34 1owf s ARG 76 Ca 0.63 -0.30 -0.05 0.00 -0.47 0.00 0.00 55.73 55.54 1owf s ARG 76 Cb -0.38 0.42 -0.02 0.00 -0.57 0.00 0.00 34.95 34.40 1owf s ARG 76 CO 0.47 -0.39 0.00 0.50 -1.08 0.00 0.00 175.30 174.80 1owf s ARG 77 N -3.10 3.61 0.27 3.89 3.52 -1.26 0.37 118.95 126.25 1owf s ARG 77 Ca 0.03 -0.52 0.11 0.00 -0.13 0.00 0.00 55.73 55.23 1owf s ARG 77 Cb -0.01 -3.09 -0.05 0.00 -1.56 0.00 0.00 34.95 30.24 1owf s ARG 77 CO -0.09 -0.01 -0.19 0.14 -0.81 0.00 0.00 175.30 174.34 1owf s VAL 78 N 1.06 2.39 -0.20 7.11 -7.23 0.43 -4.92 120.40 119.05 1owf s VAL 78 Ca 0.02 -2.39 -0.14 0.00 -1.81 0.00 0.00 61.98 57.67 1owf s VAL 78 Cb -0.14 -2.28 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 1owf s VAL 78 CO 0.02 -0.42 0.29 -0.69 -0.31 0.00 0.00 175.10 173.99 1owf s VAL 79 N -2.56 5.29 0.25 1.32 1.01 -1.26 -1.07 120.40 123.37 1owf s VAL 79 Ca 0.29 0.50 0.12 0.00 0.00 0.00 0.00 61.98 62.88 1owf s VAL 79 Cb -0.04 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 1owf s VAL 79 CO 0.14 0.33 -0.20 0.42 0.00 0.00 0.00 175.10 175.79 1owf s THR 80 N 0.92 2.39 -0.12 3.92 -4.23 0.79 -4.95 115.64 114.35 1owf s THR 80 Ca 0.15 -2.30 0.02 0.00 -1.18 0.00 0.00 61.69 58.37 1owf s THR 80 Cb -0.14 -2.23 0.01 0.00 1.34 0.00 0.00 72.50 71.48 1owf s THR 80 CO 0.05 -0.35 -0.18 0.12 -0.54 0.00 0.00 174.62 173.72 1owf s PHE 81 N -2.35 2.29 -0.52 3.99 5.36 -1.26 -0.16 117.98 125.33 1owf s PHE 81 Ca 0.27 -1.12 -0.03 0.00 -0.96 0.00 0.00 56.93 55.09 1owf s PHE 81 Cb -0.05 -1.60 0.14 0.00 -0.34 0.00 0.00 43.02 41.16 1owf s PHE 81 CO 0.13 -0.54 0.33 1.03 -1.46 0.00 0.00 175.22 174.71 1owf s ARG 82 N 0.93 2.30 0.35 10.12 1.81 0.94 -4.95 118.95 130.45 1owf s ARG 82 Ca -0.06 -2.21 -0.28 0.00 -1.72 0.00 0.00 55.73 51.46 1owf s ARG 82 Cb -0.15 -3.66 -0.12 0.00 -0.45 0.00 0.00 34.95 30.57 1owf s ARG 82 CO -0.02 -1.13 1.37 -0.35 -0.68 0.00 0.00 175.30 174.49 1owf n PRO 83 N 3.99 2.33 -1.35 3.54 -0.04 -1.26 -1.69 135.00 140.51 1owf n PRO 83 Ca 0.03 0.82 -0.29 0.00 -0.04 0.00 0.00 63.50 64.02 1owf n PRO 83 Cb 0.39 -2.45 0.18 0.00 -0.04 0.00 0.00 33.50 31.58 1owf n PRO 83 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1owf s GLY 84 N -0.22 1.59 0.24 0.55 0.00 0.16 -4.82 107.32 104.83 1owf s GLY 84 Ca 0.55 -0.65 -0.01 0.00 0.00 0.00 0.00 44.72 44.61 1owf s GLY 84 CO 0.62 0.03 1.64 -1.61 0.00 0.00 0.00 173.10 173.78 1owf h GLN 85 N -1.90 0.58 0.30 2.90 5.75 -1.93 -0.90 115.11 119.90 1owf h GLN 85 Ca -0.50 -0.26 -0.01 0.00 -0.15 0.00 0.00 58.65 57.73 1owf h GLN 85 Cb 1.31 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.85 1owf h GLN 85 CO 0.52 0.83 -0.14 -0.22 -2.65 0.00 0.00 178.83 177.16 1owf h LYS 86 N 0.50 -0.39 -0.80 1.69 3.64 -1.90 -0.45 116.57 118.86 1owf h LYS 86 Ca 0.06 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1owf h LYS 86 Cb 0.79 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.67 1owf h LYS 86 CO 0.06 -0.24 0.38 1.25 -2.27 0.00 0.00 179.45 178.63 1owf h LEU 87 N -0.43 1.04 -0.73 5.20 5.85 -1.71 -2.07 115.31 122.47 1owf h LEU 87 Ca -0.04 -0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.60 1owf h LEU 87 Cb 0.33 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.03 1owf h LEU 87 CO 0.07 0.89 0.43 0.11 -0.34 0.00 0.00 178.44 179.59 1owf h LYS 88 N 1.13 0.76 -0.34 1.25 1.57 -0.83 -2.04 116.57 118.05 1owf h LYS 88 Ca 0.27 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.96 1owf h LYS 88 Cb 0.12 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1owf h LYS 88 CO -0.03 0.50 0.05 0.77 -0.57 0.00 0.00 179.45 180.16 1owf h SER 89 N 0.78 0.56 0.14 0.86 0.02 -0.68 -0.02 113.55 115.20 1owf h SER 89 Ca 0.32 -0.27 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1owf h SER 89 Cb 0.18 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 1owf h SER 89 CO -0.18 0.68 -0.00 0.03 -1.14 0.00 0.00 176.83 176.23 1owf h ARG 90 N 0.41 0.00 0.00 3.45 3.08 -0.90 -3.06 114.38 117.35 1owf h ARG 90 Ca 0.10 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 1owf h ARG 90 Cb 0.37 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1owf h ARG 90 CO 0.01 0.00 -1.57 0.28 -1.07 0.00 0.00 179.97 177.62 1owf n VAL 91 N -3.11 0.00 -0.18 2.04 0.31 -0.81 -4.66 118.33 111.91 1owf n VAL 91 Ca -0.03 -0.29 0.28 0.00 -0.01 0.00 0.00 64.34 64.30 1owf n VAL 91 Cb 0.10 0.21 0.71 0.00 -0.91 0.00 0.00 33.84 33.96 1owf n VAL 91 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1owf h GLU 92 N 0.00 0.02 -0.29 5.55 4.11 -0.90 -0.15 114.58 122.93 1owf h GLU 92 Ca -0.00 -0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.29 1owf h GLU 92 Cb 0.58 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.74 1owf h GLU 92 CO 0.00 0.01 -0.11 -1.71 0.07 0.00 0.00 179.01 177.28 1owf n ASN 93 N -4.28 2.56 -4.61 3.06 5.15 -1.26 -5.02 115.26 110.85 1owf n ASN 93 Ca 0.19 -3.67 -0.29 0.00 -0.60 0.00 0.00 54.58 50.21 1owf n ASN 93 Cb 0.95 -0.61 0.17 0.00 -0.53 0.00 0.00 39.78 39.77 1owf n ASN 93 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1owf s ALA 94 N -3.18 1.26 -0.19 5.20 0.00 -0.07 -5.06 121.76 119.72 1owf s ALA 94 Ca 0.43 -0.53 -0.03 0.00 0.00 0.00 0.00 51.96 51.83 1owf s ALA 94 Cb 0.39 -3.04 0.06 0.00 0.00 0.00 0.00 23.12 20.53 1owf s ALA 94 CO 0.00 -2.71 0.04 0.45 0.00 0.00 0.00 175.76 173.54 1owf s SER 95 N -3.78 2.89 -0.19 0.00 0.15 -1.26 -5.10 113.70 106.40 1owf s SER 95 Ca 0.66 -0.82 -0.40 0.00 0.70 0.00 0.00 55.95 56.09 1owf s SER 95 Cb -0.16 -0.58 -0.16 0.00 -1.71 0.00 0.00 66.02 63.41 1owf s SER 95 CO 0.56 -0.31 1.61 -2.65 1.20 0.00 0.00 173.24 173.64 1owf n PRO 96 N 5.06 1.04 0.00 5.44 -0.02 -1.26 -5.29 135.00 139.97 1owf n PRO 96 Ca -0.09 0.38 0.11 0.00 -2.02 0.00 0.00 63.50 61.88 1owf n PRO 96 Cb 0.47 -2.03 0.66 0.00 -0.02 0.00 0.00 33.50 32.58 1owf n PRO 96 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11