#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r0r h GLY 3 N 0.00 0.21 -1.78 0.00 0.00 -1.98 -2.29 103.07 97.22 2r0r h GLY 3 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2r0r h GLY 3 CO 0.00 0.14 0.00 0.69 0.00 0.00 0.00 176.54 177.37 2r0r n PHE 4 N -4.18 0.00 0.01 5.60 3.72 -1.26 -4.66 117.46 116.69 2r0r n PHE 4 Ca -0.01 -0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.28 2r0r n PHE 4 Cb 0.34 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.83 2r0r n PHE 4 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2r0r h GLU 6 N 0.06 0.25 -0.03 0.00 4.81 -1.83 -2.72 114.58 115.13 2r0r h GLU 6 Ca 0.03 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.11 2r0r h GLU 6 Cb 0.02 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 2r0r h GLU 6 CO -0.04 0.23 -0.57 -0.24 -0.73 0.00 0.00 179.01 177.66 2r0r h VAL 7 N 0.20 1.40 0.09 0.32 3.04 -1.85 -2.54 116.25 116.91 2r0r h VAL 7 Ca 0.06 -1.93 0.02 0.00 -1.01 0.00 0.00 66.70 63.83 2r0r h VAL 7 Cb 0.04 2.01 -0.03 0.00 -2.01 0.00 0.00 31.29 31.31 2r0r h VAL 7 CO -0.01 0.56 -0.18 0.00 -1.01 0.00 0.00 177.57 176.92 2r0r h GLU 9 N -0.35 1.13 -0.30 0.00 5.08 -1.32 0.52 114.58 119.34 2r0r h GLU 9 Ca 0.03 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2r0r h GLU 9 Cb 0.37 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2r0r h GLU 9 CO -0.11 0.95 0.19 0.87 -1.00 0.00 0.00 179.01 179.92 2r0r h LYS 10 N 1.08 0.40 0.10 2.33 1.57 -1.39 0.12 116.57 120.77 2r0r h LYS 10 Ca 0.24 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2r0r h LYS 10 Cb 0.28 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2r0r h LYS 10 CO -0.01 0.28 -0.05 1.25 -0.57 0.00 0.00 179.45 180.35 2r0r h LEU 11 N 0.39 -0.11 -1.36 2.94 5.85 -0.88 0.92 115.31 123.07 2r0r h LEU 11 Ca 0.11 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 2r0r h LEU 11 Cb -0.02 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2r0r h LEU 11 CO -0.02 0.32 -0.04 0.58 -0.34 0.00 0.00 178.44 178.94 2r0r h VAL 12 N -0.56 1.17 -0.20 1.05 2.07 -0.98 -1.47 116.25 117.34 2r0r h VAL 12 Ca -0.01 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 2r0r h VAL 12 Cb 0.46 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 2r0r h VAL 12 CO 0.02 0.23 0.12 1.23 0.02 0.00 0.00 177.57 179.20 2r0r h GLY 13 N 0.74 0.29 0.62 2.17 0.00 -0.64 0.20 103.07 106.45 2r0r h GLY 13 Ca 0.08 -0.12 0.07 0.00 0.00 0.00 0.00 47.33 47.36 2r0r h GLY 13 CO 0.01 0.12 0.33 -1.82 0.00 0.00 0.00 176.54 175.17 2r0r h TYR 14 N 0.25 0.60 -0.03 5.60 5.03 -0.21 -2.62 116.97 125.58 2r0r h TYR 14 Ca 0.07 0.03 -0.15 0.00 2.58 0.00 0.00 58.73 61.26 2r0r h TYR 14 Cb 0.01 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.11 2r0r h TYR 14 CO -0.05 0.26 -0.65 -0.07 -1.32 0.00 0.00 178.16 176.33 2r0r h LEU 15 N 0.60 0.15 -0.52 2.82 3.38 -1.03 -2.47 115.31 118.25 2r0r h LEU 15 Ca 0.29 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 2r0r h LEU 15 Cb 0.23 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2r0r h LEU 15 CO -0.21 0.75 0.10 -0.78 0.09 0.00 0.00 178.44 178.40 2r0r h ASP 16 N 0.09 0.81 -0.05 -0.43 3.58 -0.35 -0.91 116.42 119.16 2r0r h ASP 16 Ca -0.01 -0.25 -0.23 0.00 0.42 0.00 0.00 57.03 56.97 2r0r h ASP 16 Cb 1.16 -0.21 0.01 0.00 1.72 0.00 0.00 39.33 42.00 2r0r h ASP 16 CO 0.09 0.85 -0.82 0.03 -2.88 0.00 0.00 179.24 176.51 2r0r h ARG 17 N 0.73 0.71 -0.02 0.28 3.08 -1.43 -3.37 114.38 114.36 2r0r h ARG 17 Ca 0.16 -0.61 0.00 0.00 0.07 0.00 0.00 59.98 59.59 2r0r h ARG 17 Cb 0.37 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2r0r h ARG 17 CO 0.01 1.22 -0.19 0.09 -1.07 0.00 0.00 179.97 180.03 2r0r n ASN 18 N -3.90 1.95 -4.60 7.04 3.02 -0.93 -4.93 115.26 112.90 2r0r n ASN 18 Ca -0.08 -1.47 -0.31 0.00 -0.03 0.00 0.00 54.58 52.69 2r0r n ASN 18 Cb 0.77 0.27 -0.10 0.00 -0.61 0.00 0.00 39.78 40.11 2r0r n ASN 18 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2r0r s LEU 19 N -1.76 3.15 0.46 3.41 1.43 -0.35 -5.04 118.68 119.98 2r0r s LEU 19 Ca 0.16 -0.22 -0.21 0.00 -1.03 0.00 0.00 54.13 52.84 2r0r s LEU 19 Cb 0.13 -1.85 -0.10 0.00 0.03 0.00 0.00 46.19 44.41 2r0r s LEU 19 CO 0.32 0.25 1.00 -0.70 0.23 0.00 0.00 176.35 177.44 2r0r s GLU 20 N -1.70 4.02 0.33 1.70 2.12 -1.26 -4.82 118.70 119.09 2r0r s GLU 20 Ca 0.19 1.25 0.03 0.00 0.36 0.00 0.00 54.97 56.80 2r0r s GLU 20 Cb -0.11 -2.15 0.59 0.00 0.26 0.00 0.00 34.13 32.72 2r0r s GLU 20 CO 0.10 -0.23 1.91 0.87 -0.54 0.00 0.00 175.26 177.36 2r0r h LYS 21 N 1.75 0.66 -0.93 4.30 6.56 -1.97 -2.90 116.57 124.04 2r0r h LYS 21 Ca -0.49 -0.11 -0.64 0.00 -1.06 0.00 0.00 60.65 58.35 2r0r h LYS 21 Cb 1.20 -0.11 -0.33 0.00 -0.57 0.00 0.00 32.23 32.42 2r0r h LYS 21 CO 0.60 0.58 0.40 0.09 -2.06 0.00 0.00 179.45 179.06 2r0r n ASN 22 N -4.33 6.87 -4.78 0.86 5.03 -1.26 -4.92 115.26 112.73 2r0r n ASN 22 Ca 0.03 -3.78 -0.37 0.00 0.87 0.00 0.00 54.58 51.34 2r0r n ASN 22 Cb 0.18 -0.80 -0.03 0.00 -1.02 0.00 0.00 39.78 38.12 2r0r n ASN 22 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2r0r s SER 23 N -2.33 6.56 0.85 6.41 0.01 -1.10 -5.03 113.70 119.08 2r0r s SER 23 Ca 0.61 2.14 -0.11 0.00 1.31 0.00 0.00 55.95 59.90 2r0r s SER 23 Cb 0.48 -2.59 0.11 0.00 0.21 0.00 0.00 66.02 64.22 2r0r s SER 23 CO 0.01 -0.63 1.10 0.42 0.41 0.00 0.00 173.24 174.54 2r0r s THR 24 N -1.61 2.84 0.32 1.44 -4.23 -1.26 -4.87 115.64 108.27 2r0r s THR 24 Ca 0.59 0.27 0.01 0.00 -1.18 0.00 0.00 61.69 61.38 2r0r s THR 24 Cb -0.25 -2.66 0.27 0.00 1.34 0.00 0.00 72.50 71.21 2r0r s THR 24 CO 0.30 -0.36 1.96 0.11 -0.54 0.00 0.00 174.62 176.10 2r0r h LYS 25 N -1.46 0.97 -0.59 3.99 1.57 -1.96 -2.07 116.57 117.02 2r0r h LYS 25 Ca -0.46 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.19 2r0r h LYS 25 Cb 1.26 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 33.32 2r0r h LYS 25 CO 0.51 0.64 0.11 1.96 -0.57 0.00 0.00 179.45 182.10 2r0r h GLN 26 N 1.00 0.95 -0.30 3.15 1.08 -1.99 0.37 115.11 119.37 2r0r h GLN 26 Ca 0.31 -0.23 -0.13 0.00 -1.45 0.00 0.00 58.65 57.16 2r0r h GLN 26 Cb 0.02 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 2r0r h GLN 26 CO -0.09 0.87 -0.35 0.93 -0.95 0.00 0.00 178.83 179.24 2r0r h GLU 27 N 0.90 0.66 -0.12 1.46 5.08 -1.83 -1.46 114.58 119.26 2r0r h GLU 27 Ca 0.19 -0.32 -0.11 0.00 -1.00 0.00 0.00 59.36 58.13 2r0r h GLU 27 Cb 0.38 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2r0r h GLU 27 CO 0.01 0.91 -0.34 0.82 -1.00 0.00 0.00 179.01 179.41 2r0r h ILE 28 N 0.55 1.38 -0.57 3.13 2.04 -1.18 0.03 117.51 122.89 2r0r h ILE 28 Ca 0.06 -1.64 0.11 0.00 1.00 0.00 0.00 64.86 64.39 2r0r h ILE 28 Cb 0.86 2.11 -0.11 0.00 -0.74 0.00 0.00 36.82 38.93 2r0r h ILE 28 CO 0.07 0.49 -0.24 0.25 0.00 0.00 0.00 178.15 178.72 2r0r h LEU 29 N 0.03 -0.85 -0.11 1.44 7.12 -0.93 0.40 115.31 122.41 2r0r h LEU 29 Ca -0.01 0.20 -0.00 0.00 0.13 0.00 0.00 57.88 58.20 2r0r h LEU 29 Cb 0.95 0.47 -0.01 0.00 -0.53 0.00 0.00 40.66 41.54 2r0r h LEU 29 CO 0.07 -0.26 0.06 0.00 -0.13 0.00 0.00 178.44 178.19 2r0r h ALA 30 N 1.28 0.14 -0.39 1.25 0.00 -1.11 -1.53 119.26 118.90 2r0r h ALA 30 Ca 0.26 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.16 2r0r h ALA 30 Cb 0.51 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2r0r h ALA 30 CO -0.64 -0.34 0.17 0.00 0.00 0.00 0.00 179.25 178.45 2r0r h ALA 31 N 0.98 0.47 -0.23 0.00 0.00 -0.50 -2.81 119.26 117.18 2r0r h ALA 31 Ca 0.04 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2r0r h ALA 31 Cb 0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2r0r h ALA 31 CO -0.01 -0.20 0.06 1.25 0.00 0.00 0.00 179.25 180.35 2r0r h LEU 32 N 0.36 0.05 0.00 0.00 5.85 0.00 0.47 115.31 122.03 2r0r h LEU 32 Ca 0.17 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2r0r h LEU 32 Cb 0.11 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.17 2r0r h LEU 32 CO -0.14 0.06 0.00 -0.62 -0.34 0.00 0.00 178.44 177.40 2r0r n GLU 33 N -5.06 0.52 -0.00 1.25 1.02 -0.60 -2.57 120.64 115.19 2r0r n GLU 33 Ca -0.02 0.04 0.03 0.00 -0.02 0.00 0.00 57.16 57.18 2r0r n GLU 33 Cb 0.09 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 29.97 2r0r n GLU 33 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2r0r n LYS 34 N -1.17 1.45 -0.32 3.49 5.02 -0.88 -4.80 118.16 120.94 2r0r n LYS 34 Ca 0.14 -0.04 0.06 0.00 -2.02 0.00 0.00 58.31 56.46 2r0r n LYS 34 Cb 0.15 -1.03 0.21 0.00 -0.02 0.00 0.00 35.03 34.34 2r0r n LYS 34 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2r0r h GLY 35 N 1.04 1.44 1.44 0.72 0.00 0.20 -2.48 103.07 105.44 2r0r h GLY 35 Ca 0.00 -0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.03 2r0r h GLY 35 CO 0.00 0.08 0.31 0.00 0.00 0.00 0.00 176.54 176.93 2r0r h SER 37 N 0.51 0.00 0.03 0.00 4.64 -1.80 -2.43 113.55 114.50 2r0r h SER 37 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2r0r h SER 37 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2r0r h SER 37 CO -0.05 0.00 -0.70 0.49 -0.87 0.00 0.00 176.83 175.71 2r0r n PHE 38 N -2.77 0.00 -1.95 4.77 3.72 -0.59 -4.94 117.46 115.70 2r0r n PHE 38 Ca -0.01 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.09 2r0r n PHE 38 Cb 0.14 -0.02 0.02 0.00 -0.94 0.00 0.00 39.48 38.68 2r0r n PHE 38 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2r0r s LEU 39 N -2.73 3.20 0.34 4.37 1.02 -0.92 -4.99 118.68 118.97 2r0r s LEU 39 Ca 0.14 1.31 -0.27 0.00 0.02 0.00 0.00 54.13 55.33 2r0r s LEU 39 Cb 0.17 -4.30 -0.13 0.00 0.02 0.00 0.00 46.19 41.96 2r0r s LEU 39 CO 0.71 -0.94 1.06 -2.65 0.02 0.00 0.00 176.35 174.55 2r0r n PRO 40 N -2.75 1.50 -0.30 1.29 -0.02 -1.26 -4.84 135.00 128.61 2r0r n PRO 40 Ca 0.06 0.53 0.13 0.00 -2.02 0.00 0.00 63.50 62.20 2r0r n PRO 40 Cb 0.55 -1.99 0.30 0.00 -0.02 0.00 0.00 33.50 32.33 2r0r n PRO 40 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2r0r h ASP 41 N 1.97 -0.03 -0.01 2.55 5.19 -1.94 -0.45 116.42 123.71 2r0r h ASP 41 Ca -0.42 0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.20 2r0r h ASP 41 Cb 1.33 0.28 -0.00 0.00 0.18 0.00 0.00 39.33 41.12 2r0r h ASP 41 CO 0.60 -0.18 0.21 -0.65 -3.12 0.00 0.00 179.24 176.10 2r0r h PRO 42 N 0.19 0.00 -0.00 3.56 0.11 -2.01 -1.86 132.00 131.98 2r0r h PRO 42 Ca 0.56 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.67 2r0r h PRO 42 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2r0r h PRO 42 CO -0.68 0.00 -0.57 0.66 -0.21 0.00 0.00 178.00 177.20 2r0r n TYR 43 N -2.99 0.00 0.31 0.65 4.02 -0.18 -4.71 117.16 114.27 2r0r n TYR 43 Ca -0.02 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.69 2r0r n TYR 43 Cb 0.26 -0.12 -0.09 0.00 -0.02 0.00 0.00 39.34 39.37 2r0r n TYR 43 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 2r0r h GLN 44 N 0.62 -0.95 -0.16 -0.72 4.15 -1.41 0.94 115.11 117.58 2r0r h GLN 44 Ca 0.00 0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.38 2r0r h GLN 44 Cb 0.54 0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.43 2r0r h GLN 44 CO 0.00 -0.63 -0.36 0.87 -1.93 0.00 0.00 178.83 176.78 2r0r h LYS 45 N -0.98 0.33 -0.66 1.69 1.79 -1.84 -0.87 116.57 116.03 2r0r h LYS 45 Ca -0.06 -0.15 -0.08 0.00 -2.18 0.00 0.00 60.65 58.18 2r0r h LYS 45 Cb 0.84 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.46 2r0r h LYS 45 CO -0.02 0.65 0.08 0.37 -1.08 0.00 0.00 179.45 179.45 2r0r h GLN 46 N 0.28 1.11 -0.30 3.15 4.15 -1.82 -2.32 115.11 119.37 2r0r h GLN 46 Ca 0.03 -0.31 -0.03 0.00 0.77 0.00 0.00 58.65 59.11 2r0r h GLN 46 Cb 0.77 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.33 2r0r h GLN 46 CO 0.06 1.03 0.08 0.00 -1.93 0.00 0.00 178.83 178.07 2r0r h ASP 48 N 0.32 0.55 -0.07 0.00 3.32 -1.12 0.14 116.42 119.56 2r0r h ASP 48 Ca 0.09 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 2r0r h ASP 48 Cb 0.28 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 2r0r h ASP 48 CO 0.00 0.30 -0.02 -0.61 -1.72 0.00 0.00 179.24 177.20 2r0r h GLN 49 N 0.68 0.14 -0.21 3.56 4.15 -1.15 -1.54 115.11 120.73 2r0r h GLN 49 Ca 0.39 -0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.80 2r0r h GLN 49 Cb 0.41 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.04 2r0r h GLN 49 CO -0.27 0.47 -0.13 0.35 -1.93 0.00 0.00 178.83 177.31 2r0r h PHE 50 N -0.20 -0.32 0.22 3.99 3.57 -0.44 -1.21 116.94 122.54 2r0r h PHE 50 Ca 0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2r0r h PHE 50 Cb 0.42 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 2r0r h PHE 50 CO 0.05 -0.20 -0.19 0.28 -2.23 0.00 0.00 178.31 176.03 2r0r h VAL 51 N -0.12 0.59 -0.98 1.41 2.07 -0.74 -0.81 116.25 117.67 2r0r h VAL 51 Ca 0.12 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.82 2r0r h VAL 51 Cb 0.30 0.59 -0.11 0.00 -1.52 0.00 0.00 31.29 30.55 2r0r h VAL 51 CO -0.28 0.00 0.58 0.00 0.02 0.00 0.00 177.57 177.89 2r0r h ALA 52 N 0.31 1.60 0.01 1.67 0.00 -1.12 0.33 119.26 122.06 2r0r h ALA 52 Ca -0.01 0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 2r0r h ALA 52 Cb 0.39 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2r0r h ALA 52 CO -0.03 -0.06 -0.89 1.49 0.00 0.00 0.00 179.25 179.76 2r0r h GLU 53 N 0.74 0.22 -0.00 0.00 4.81 -0.71 -3.36 114.58 116.28 2r0r h GLU 53 Ca 0.56 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 2r0r h GLU 53 Cb 0.86 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.31 2r0r h GLU 53 CO -0.38 0.98 -0.13 0.66 -0.73 0.00 0.00 179.01 179.41 2r0r n TYR 54 N -3.66 0.00 -0.27 0.92 4.02 -0.36 -4.82 117.16 112.99 2r0r n TYR 54 Ca -0.04 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.89 2r0r n TYR 54 Cb 0.82 0.00 0.12 0.00 -0.02 0.00 0.00 39.34 40.26 2r0r n TYR 54 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 2r0r h GLU 55 N 0.72 0.02 -0.19 -0.72 4.81 -0.52 0.28 114.58 118.98 2r0r h GLU 55 Ca 0.00 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 2r0r h GLU 55 Cb 0.22 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.53 2r0r h GLU 55 CO 0.00 0.02 -0.22 -1.35 -0.73 0.00 0.00 179.01 176.73 2r0r h PRO 56 N 0.03 -0.24 0.00 0.92 0.11 -1.87 -1.02 132.00 129.92 2r0r h PRO 56 Ca 0.40 0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.44 2r0r h PRO 56 Cb 0.66 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 2r0r h PRO 56 CO -0.78 -0.16 -0.42 -0.24 -0.21 0.00 0.00 178.00 176.19 2r0r h VAL 57 N -0.25 0.87 -0.31 3.15 3.04 -1.72 -2.46 116.25 118.57 2r0r h VAL 57 Ca 0.12 -1.75 -0.03 0.00 -1.01 0.00 0.00 66.70 64.03 2r0r h VAL 57 Cb 0.43 2.09 -0.01 0.00 -2.01 0.00 0.00 31.29 31.79 2r0r h VAL 57 CO -0.34 0.41 0.09 -0.07 -1.01 0.00 0.00 177.57 176.66 2r0r h LEU 58 N 0.00 0.45 -0.04 3.16 3.38 -0.53 -1.74 115.31 119.98 2r0r h LEU 58 Ca -0.00 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 2r0r h LEU 58 Cb 1.06 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 2r0r h LEU 58 CO 0.05 0.54 0.02 0.40 0.09 0.00 0.00 178.44 179.54 2r0r h ILE 59 N 0.34 1.13 -0.76 1.22 2.04 -1.10 0.48 117.51 120.85 2r0r h ILE 59 Ca 0.10 -0.39 0.15 0.00 1.00 0.00 0.00 64.86 65.73 2r0r h ILE 59 Cb 0.26 1.32 -0.14 0.00 -0.74 0.00 0.00 36.82 37.51 2r0r h ILE 59 CO -0.00 0.11 -0.18 -0.08 0.00 0.00 0.00 178.15 177.99 2r0r h GLU 60 N -0.09 0.00 0.16 2.37 4.81 -1.34 -2.89 114.58 117.61 2r0r h GLU 60 Ca 0.01 -0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.92 2r0r h GLU 60 Cb 0.16 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.54 2r0r h GLU 60 CO -0.00 0.00 -1.55 0.97 -0.73 0.00 0.00 179.01 177.70 2r0r h ILE 61 N 0.00 1.16 0.00 2.32 2.10 -1.18 -3.37 117.51 118.54 2r0r h ILE 61 Ca 0.37 -2.73 -0.00 0.00 1.08 0.00 0.00 64.86 63.57 2r0r h ILE 61 Cb 0.57 2.83 -0.00 0.00 -1.09 0.00 0.00 36.82 39.13 2r0r h ILE 61 CO -0.78 0.84 -0.02 -0.07 -1.08 0.00 0.00 178.15 177.03 2r0r h LEU 62 N 0.09 0.00 -1.30 2.19 3.38 -0.68 0.49 115.31 119.49 2r0r h LEU 62 Ca -0.26 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 2r0r h LEU 62 Cb 2.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.81 2r0r h LEU 62 CO 0.19 0.02 -0.15 -0.37 0.09 0.00 0.00 178.44 178.22 2r0r h VAL 63 N 0.00 0.40 0.00 1.22 -1.51 -1.70 -3.31 116.25 111.34 2r0r h VAL 63 Ca -0.00 -0.89 -0.35 0.00 -1.23 0.00 0.00 66.70 64.23 2r0r h VAL 63 Cb 0.12 1.65 -0.07 0.00 -2.13 0.00 0.00 31.29 30.86 2r0r h VAL 63 CO 0.00 0.15 -2.36 -0.62 -1.23 0.00 0.00 177.57 173.51 2r0r n GLU 64 N -3.33 0.69 -3.63 5.19 1.02 0.12 -4.95 120.64 115.75 2r0r n GLU 64 Ca 0.00 -0.01 -0.10 0.00 -0.02 0.00 0.00 57.16 57.03 2r0r n GLU 64 Cb 0.37 -1.52 -0.07 0.00 -0.02 0.00 0.00 31.44 30.20 2r0r n GLU 64 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2r0r s VAL 65 N -2.53 0.00 -0.01 2.62 0.11 -0.95 -5.07 120.40 114.56 2r0r s VAL 65 Ca -0.10 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 58.97 2r0r s VAL 65 Cb 0.06 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.94 2r0r s VAL 65 CO 0.83 0.00 0.91 0.23 -3.33 0.00 0.00 175.10 173.74 2r0r n MET 66 N 2.09 2.07 -1.73 1.54 2.81 -1.26 -3.97 117.12 118.68 2r0r n MET 66 Ca -0.13 -1.38 -0.42 0.00 -1.81 0.00 0.00 57.70 53.96 2r0r n MET 66 Cb 0.56 -0.93 -0.03 0.00 -0.71 0.00 0.00 33.22 32.11 2r0r n MET 66 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2r0r s ASP 67 N -0.99 6.27 0.20 7.83 2.15 -1.26 -4.51 116.67 126.36 2r0r s ASP 67 Ca 0.03 2.39 -0.12 0.00 0.43 0.00 0.00 52.55 55.28 2r0r s ASP 67 Cb 0.03 -2.53 0.23 0.00 -0.30 0.00 0.00 42.92 40.36 2r0r s ASP 67 CO 0.00 -1.24 1.70 -0.65 -0.17 0.00 0.00 175.17 174.82 2r0r h PRO 68 N 11.38 0.20 -0.57 4.34 0.11 -1.89 -0.33 132.00 145.24 2r0r h PRO 68 Ca -0.46 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 2r0r h PRO 68 Cb 1.22 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 2r0r h PRO 68 CO 0.95 0.13 0.18 1.03 -0.21 0.00 0.00 178.00 180.08 2r0r h SER 69 N 0.20 0.83 0.02 -2.05 0.87 -1.91 -2.26 113.55 109.25 2r0r h SER 69 Ca 0.28 -0.21 -0.14 0.00 -1.23 0.00 0.00 61.79 60.49 2r0r h SER 69 Cb 0.41 -0.22 0.01 0.00 -0.44 0.00 0.00 62.40 62.16 2r0r h SER 69 CO -0.39 0.82 -0.55 0.15 -0.53 0.00 0.00 176.83 176.32 2r0r h PHE 70 N 0.80 0.52 -0.72 2.24 3.57 -1.88 -2.98 116.94 118.49 2r0r h PHE 70 Ca 0.18 -0.30 0.04 0.00 3.53 0.00 0.00 57.97 61.43 2r0r h PHE 70 Cb 0.28 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.92 2r0r h PHE 70 CO 0.02 1.13 0.45 0.28 -2.23 0.00 0.00 178.31 177.95 2r0r h VAL 71 N -0.24 1.07 0.00 1.41 2.07 -1.03 -0.26 116.25 119.26 2r0r h VAL 71 Ca -0.08 -0.29 -0.10 0.00 0.82 0.00 0.00 66.70 67.05 2r0r h VAL 71 Cb 1.30 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2r0r h VAL 71 CO 0.11 0.16 -0.48 0.00 0.02 0.00 0.00 177.57 177.38 2r0r h LEU 73 N 0.00 -0.15 -0.97 0.00 5.85 -1.20 -0.24 115.31 118.59 2r0r h LEU 73 Ca -0.00 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 2r0r h LEU 73 Cb 0.97 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 2r0r h LEU 73 CO 0.06 0.24 0.35 0.50 -0.34 0.00 0.00 178.44 179.25 2r0r h LYS 74 N -0.58 1.08 0.00 1.25 3.64 -0.95 -2.74 116.57 118.28 2r0r h LYS 74 Ca -0.02 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 2r0r h LYS 74 Cb 0.45 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2r0r h LYS 74 CO 0.03 0.84 -0.10 0.44 -2.27 0.00 0.00 179.45 178.40 2r0r n ILE 75 N -4.31 0.05 -0.07 2.00 -5.35 -0.98 -4.92 119.36 105.77 2r0r n ILE 75 Ca 0.07 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.53 2r0r n ILE 75 Cb 0.15 -0.37 0.00 0.00 -1.74 0.00 0.00 39.64 37.67 2r0r n ILE 75 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2r0r n GLY 76 N 1.48 0.55 0.23 3.28 0.00 -1.03 -4.98 105.19 104.72 2r0r n GLY 76 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 2r0r n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r0r h ALA 77 N 0.00 0.54 -1.23 4.61 0.00 -1.56 -3.46 119.26 118.16 2r0r h ALA 77 Ca 0.00 -0.35 -0.62 0.00 0.00 0.00 0.00 54.91 53.94 2r0r h ALA 77 Cb 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 17.79 17.55 2r0r h ALA 77 CO 0.00 0.47 -0.52 0.00 0.00 0.00 0.00 179.25 179.19