#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nnn h LEU 9 N 0.00 0.24 -0.50 2.89 5.85 -2.06 -2.50 115.31 119.23 2nnn h LEU 9 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2nnn h LEU 9 Cb 0.00 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.97 2nnn h LEU 9 CO 0.00 0.17 0.00 0.47 -0.34 0.00 0.00 178.44 178.74 2nnn n ASP 10 N -4.49 0.37 -0.59 1.25 8.00 -1.26 -1.33 116.55 118.50 2nnn n ASP 10 Ca 0.02 0.61 0.10 0.00 0.71 0.00 0.00 54.79 56.24 2nnn n ASP 10 Cb 0.16 -0.68 0.02 0.00 -0.02 0.00 0.00 41.12 40.61 2nnn n ASP 10 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2nnn n ASP 11 N -1.92 2.20 -4.72 -2.24 8.00 -0.94 -4.82 116.55 112.11 2nnn n ASP 11 Ca 0.02 -1.60 -0.42 0.00 0.71 0.00 0.00 54.79 53.50 2nnn n ASP 11 Cb 0.16 0.34 -0.03 0.00 -0.02 0.00 0.00 41.12 41.57 2nnn n ASP 11 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2nnn s GLN 12 N -2.19 4.53 0.26 -1.24 -1.52 -0.44 -4.96 119.66 114.10 2nnn s GLN 12 Ca 0.20 1.59 -0.04 0.00 -1.95 0.00 0.00 55.36 55.16 2nnn s GLN 12 Cb 0.17 -3.39 0.34 0.00 -0.22 0.00 0.00 33.01 29.92 2nnn s GLN 12 CO 0.46 -0.09 1.90 0.97 -0.25 0.00 0.00 175.29 178.28 2nnn h ILE 13 N 4.48 1.17 0.05 1.08 2.10 -1.93 -1.71 117.51 122.74 2nnn h ILE 13 Ca -0.42 -0.43 0.02 0.00 1.08 0.00 0.00 64.86 65.11 2nnn h ILE 13 Cb 1.22 -0.21 -0.02 0.00 -1.09 0.00 0.00 36.82 36.71 2nnn h ILE 13 CO 0.77 0.23 -0.15 1.23 -1.08 0.00 0.00 178.15 179.15 2nnn h GLY 14 N 1.26 -0.22 0.81 8.18 0.00 -1.94 0.20 103.07 111.35 2nnn h GLY 14 Ca 0.40 0.17 0.04 0.00 0.00 0.00 0.00 47.33 47.94 2nnn h GLY 14 CO -0.13 -0.14 0.43 -2.75 0.00 0.00 0.00 176.54 173.94 2nnn h PHE 15 N -0.27 0.79 -0.55 5.60 3.57 -1.80 -0.95 116.94 123.33 2nnn h PHE 15 Ca 0.03 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 2nnn h PHE 15 Cb 0.30 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 2nnn h PHE 15 CO -0.18 0.43 0.21 0.82 -2.23 0.00 0.00 178.31 177.37 2nnn h ILE 16 N 0.82 1.22 -0.23 1.41 2.04 -1.02 -2.50 117.51 119.25 2nnn h ILE 16 Ca 0.29 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 2nnn h ILE 16 Cb 0.08 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2nnn h ILE 16 CO -0.13 0.27 0.06 -0.07 0.00 0.00 0.00 178.15 178.27 2nnn h LEU 17 N 0.76 0.35 -0.67 1.44 3.38 -0.29 -1.41 115.31 118.87 2nnn h LEU 17 Ca 0.18 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.94 2nnn h LEU 17 Cb 0.21 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 2nnn h LEU 17 CO -0.01 0.49 0.43 -0.09 0.09 0.00 0.00 178.44 179.35 2nnn h ARG 18 N 0.20 0.85 -0.31 1.13 2.43 -1.11 -0.09 114.38 117.48 2nnn h ARG 18 Ca 0.07 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2nnn h ARG 18 Cb 0.27 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2nnn h ARG 18 CO 0.00 0.56 0.12 1.96 -1.51 0.00 0.00 179.97 181.10 2nnn h GLN 19 N 0.87 0.47 -0.76 0.20 4.20 -1.39 0.19 115.11 118.89 2nnn h GLN 19 Ca 0.26 -0.09 0.03 0.00 0.06 0.00 0.00 58.65 58.90 2nnn h GLN 19 Cb -0.06 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.61 2nnn h GLN 19 CO -0.07 0.49 0.48 0.00 -0.67 0.00 0.00 178.83 179.06 2nnn h ALA 20 N 0.96 0.99 -0.38 3.87 0.00 -0.89 -0.15 119.26 123.67 2nnn h ALA 20 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2nnn h ALA 20 Cb 0.20 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2nnn h ALA 20 CO -0.01 0.29 0.20 -0.91 0.00 0.00 0.00 179.25 178.83 2nnn h ASN 21 N 0.95 0.48 -0.90 0.00 2.35 -0.82 -0.99 115.58 116.65 2nnn h ASN 21 Ca 0.30 -0.10 0.01 0.00 -0.55 0.00 0.00 56.30 55.96 2nnn h ASN 21 Cb -0.00 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.20 2nnn h ASN 21 CO -0.11 0.45 0.59 1.56 -1.65 0.00 0.00 177.43 178.27 2nnn h GLN 22 N 0.48 1.19 -0.66 0.81 4.20 -0.16 -0.14 115.11 120.84 2nnn h GLN 22 Ca 0.13 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.69 2nnn h GLN 22 Cb 0.08 -0.27 -0.03 0.00 0.30 0.00 0.00 27.48 27.56 2nnn h GLN 22 CO -0.02 0.79 0.10 -0.09 -0.67 0.00 0.00 178.83 178.94 2nnn h ARG 23 N 1.22 1.09 0.15 1.46 2.43 -0.88 -2.20 114.38 117.65 2nnn h ARG 23 Ca 0.33 -0.29 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2nnn h ARG 23 Cb -0.14 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.29 2nnn h ARG 23 CO -0.07 1.00 -0.07 -0.92 -1.51 0.00 0.00 179.97 178.40 2nnn h TYR 24 N 1.01 -0.18 -0.81 2.20 3.20 -0.59 -1.22 116.97 120.58 2nnn h TYR 24 Ca 0.20 -0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.25 2nnn h TYR 24 Cb 0.44 0.06 -0.14 0.00 1.54 0.00 0.00 36.73 38.63 2nnn h TYR 24 CO 0.03 0.00 -0.01 0.00 -1.64 0.00 0.00 178.16 176.55 2nnn h ALA 25 N 0.49 0.84 -0.20 1.82 0.00 -1.00 0.66 119.26 121.87 2nnn h ALA 25 Ca -0.02 0.27 -0.21 0.00 0.00 0.00 0.00 54.91 54.95 2nnn h ALA 25 Cb 0.27 0.47 0.01 0.00 0.00 0.00 0.00 17.79 18.53 2nnn h ALA 25 CO 0.03 -0.44 -0.69 0.00 0.00 0.00 0.00 179.25 178.15 2nnn h ALA 26 N 1.77 0.39 -0.65 0.00 0.00 -1.24 -0.71 119.26 118.82 2nnn h ALA 26 Ca 0.45 -0.57 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2nnn h ALA 26 Cb 0.80 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2nnn h ALA 26 CO -0.73 0.69 0.12 -0.07 0.00 0.00 0.00 179.25 179.26 2nnn h LEU 27 N 0.57 1.01 -0.11 0.00 3.38 -0.98 -2.36 115.31 116.83 2nnn h LEU 27 Ca -0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 2nnn h LEU 27 Cb 1.31 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 2nnn h LEU 27 CO 0.14 1.00 0.04 0.15 0.09 0.00 0.00 178.44 179.87 2nnn h PHE 28 N 1.00 0.17 -0.61 1.13 3.04 -0.70 -1.55 116.94 119.42 2nnn h PHE 28 Ca 0.20 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.10 2nnn h PHE 28 Cb 0.41 -0.05 -0.03 0.00 2.56 0.00 0.00 35.95 38.84 2nnn h PHE 28 CO 0.03 0.27 0.22 0.00 -2.02 0.00 0.00 178.31 176.80 2nnn h ALA 29 N 0.88 1.24 -0.07 2.41 0.00 -1.11 -0.79 119.26 121.83 2nnn h ALA 29 Ca 0.04 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 2nnn h ALA 29 Cb 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2nnn h ALA 29 CO -0.00 0.55 -0.64 -0.91 0.00 0.00 0.00 179.25 178.24 2nnn h ASN 30 N 0.88 0.30 0.00 0.00 2.35 -1.39 -3.38 115.58 114.34 2nnn h ASN 30 Ca 0.20 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2nnn h ASN 30 Cb 0.21 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.50 2nnn h ASN 30 CO -0.01 0.86 -1.24 0.61 -1.65 0.00 0.00 177.43 175.99 2nnn n GLY 31 N 0.35 -0.65 0.16 2.83 0.00 -0.59 -4.74 105.19 102.56 2nnn n GLY 31 Ca -0.03 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 2nnn n GLY 31 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2nnn h ILE 32 N 0.00 1.35 0.00 -0.61 6.09 -1.33 -3.45 117.51 119.56 2nnn h ILE 32 Ca 0.00 -1.54 0.00 0.00 -1.37 0.00 0.00 64.86 61.95 2nnn h ILE 32 Cb 0.57 1.96 0.00 0.00 0.47 0.00 0.00 36.82 39.81 2nnn h ILE 32 CO 0.00 0.46 0.00 0.61 -3.07 0.00 0.00 178.15 176.15 2nnn n GLY 33 N 0.40 1.85 0.03 8.18 0.00 -1.26 -4.85 105.19 109.53 2nnn n GLY 33 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2nnn n GLY 33 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2nnn n ASN 34 N 0.00 1.46 0.00 1.61 0.23 -1.26 -5.01 115.26 112.30 2nnn n ASN 34 Ca 0.00 -1.43 0.00 0.00 -0.53 0.00 0.00 54.58 52.62 2nnn n ASN 34 Cb 0.00 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.69 2nnn n ASN 34 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2nnn n GLY 35 N -0.17 2.06 3.76 4.83 0.00 -1.26 -5.01 105.19 109.41 2nnn n GLY 35 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 2nnn n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nnn s LEU 36 N 0.00 4.47 0.65 0.99 1.43 -1.26 -5.06 118.68 119.90 2nnn s LEU 36 Ca 0.00 2.05 -0.12 0.00 -1.03 0.00 0.00 54.13 55.03 2nnn s LEU 36 Cb 0.00 -3.79 -0.01 0.00 0.03 0.00 0.00 46.19 42.42 2nnn s LEU 36 CO 0.00 -0.09 1.05 0.42 0.23 0.00 0.00 176.35 177.96 2nnn s THR 37 N -1.34 4.13 0.32 5.49 -4.23 -1.26 -4.85 115.64 113.90 2nnn s THR 37 Ca 0.47 0.77 0.09 0.00 -1.18 0.00 0.00 61.69 61.84 2nnn s THR 37 Cb -0.26 -3.49 0.31 0.00 1.34 0.00 0.00 72.50 70.40 2nnn s THR 37 CO 0.33 -0.83 1.73 -0.65 -0.54 0.00 0.00 174.62 174.66 2nnn h PRO 38 N -0.32 0.58 -0.06 3.99 0.11 -1.96 -0.81 132.00 133.53 2nnn h PRO 38 Ca -0.45 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 65.41 2nnn h PRO 38 Cb 1.21 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 32.19 2nnn h PRO 38 CO 0.58 0.38 -0.86 1.79 -0.21 0.00 0.00 178.00 179.68 2nnn h THR 39 N 0.60 1.35 -0.54 -1.15 1.35 -1.99 0.14 112.91 112.67 2nnn h THR 39 Ca 0.63 -2.22 0.04 0.00 -0.55 0.00 0.00 66.41 64.31 2nnn h THR 39 Cb 1.18 2.23 -0.04 0.00 -1.73 0.00 0.00 68.15 69.79 2nnn h THR 39 CO -0.47 0.68 0.29 1.56 -0.25 0.00 0.00 175.52 177.33 2nnn h GLN 40 N 0.34 0.54 -0.46 4.72 4.20 -1.81 -1.75 115.11 120.89 2nnn h GLN 40 Ca -0.07 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 2nnn h GLN 40 Cb 1.48 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 29.12 2nnn h GLN 40 CO 0.16 0.36 0.18 2.35 -0.67 0.00 0.00 178.83 181.21 2nnn h TRP 41 N 0.56 0.71 -0.37 2.96 2.91 -0.94 -2.56 115.95 119.22 2nnn h TRP 41 Ca 0.23 -0.06 0.06 0.00 1.13 0.00 0.00 58.89 60.25 2nnn h TRP 41 Cb 0.11 -0.21 -0.05 0.00 -0.51 0.00 0.00 29.16 28.50 2nnn h TRP 41 CO -0.09 0.61 0.08 0.00 -1.03 0.00 0.00 178.44 178.01 2nnn h ALA 42 N 1.02 0.41 -0.63 2.65 0.00 -0.46 0.11 119.26 122.36 2nnn h ALA 42 Ca 0.15 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.17 2nnn h ALA 42 Cb 0.21 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2nnn h ALA 42 CO -0.01 -0.32 0.38 0.00 0.00 0.00 0.00 179.25 179.30 2nnn h ALA 43 N 1.28 0.83 -0.25 0.00 0.00 -1.26 -0.52 119.26 119.33 2nnn h ALA 43 Ca 0.18 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2nnn h ALA 43 Cb 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2nnn h ALA 43 CO -0.23 0.12 0.03 1.25 0.00 0.00 0.00 179.25 180.41 2nnn h LEU 44 N 0.74 0.42 -0.40 0.00 5.85 -0.96 -1.31 115.31 119.65 2nnn h LEU 44 Ca 0.26 -0.28 0.05 0.00 0.84 0.00 0.00 57.88 58.75 2nnn h LEU 44 Cb 0.05 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 2nnn h LEU 44 CO -0.12 0.59 0.14 0.58 -0.34 0.00 0.00 178.44 179.29 2nnn h VAL 45 N 0.23 0.88 -0.48 1.05 2.07 -0.66 -2.06 116.25 117.28 2nnn h VAL 45 Ca 0.08 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 2nnn h VAL 45 Cb 0.36 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 2nnn h VAL 45 CO 0.01 0.05 0.12 -0.09 0.02 0.00 0.00 177.57 177.68 2nnn h ARG 46 N 0.30 0.76 -0.87 1.57 9.65 -0.86 -2.11 114.38 122.82 2nnn h ARG 46 Ca 0.18 -0.18 0.02 0.00 -1.10 0.00 0.00 59.98 58.91 2nnn h ARG 46 Cb 0.16 -0.10 -0.05 0.00 -1.39 0.00 0.00 29.97 28.59 2nnn h ARG 46 CO -0.19 0.74 0.58 -0.07 2.80 0.00 0.00 179.97 183.83 2nnn h LEU 47 N 0.64 0.97 -1.65 3.80 3.38 -1.17 0.71 115.31 121.99 2nnn h LEU 47 Ca 0.15 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.12 2nnn h LEU 47 Cb 0.32 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2nnn h LEU 47 CO 0.00 0.68 0.26 1.23 0.09 0.00 0.00 178.44 180.71 2nnn h GLY 48 N 1.14 0.51 1.21 0.83 0.00 -0.82 -0.29 103.07 105.65 2nnn h GLY 48 Ca 0.33 -0.19 -0.32 0.00 0.00 0.00 0.00 47.33 47.16 2nnn h GLY 48 CO -0.09 0.17 -1.54 0.83 0.00 0.00 0.00 176.54 175.91 2nnn h GLU 49 N 0.48 0.34 0.00 4.80 5.08 -0.62 -3.39 114.58 121.26 2nnn h GLU 49 Ca 0.15 -0.58 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2nnn h GLU 49 Cb 0.03 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2nnn h GLU 49 CO -0.04 1.23 -1.14 0.25 -1.00 0.00 0.00 179.01 178.32 2nnn n THR 50 N -3.54 0.00 -4.63 1.13 -2.24 0.13 -5.09 114.28 100.04 2nnn n THR 50 Ca -0.18 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2nnn n THR 50 Cb 1.06 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 70.14 2nnn n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nnn n GLY 51 N 1.46 -0.40 3.61 3.38 0.00 -0.13 -4.79 105.19 108.32 2nnn n GLY 51 Ca 0.03 -1.05 -0.47 0.00 0.00 0.00 0.00 46.02 44.52 2nnn n GLY 51 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2nnn n PRO 52 N -0.41 1.47 -3.71 1.61 -0.04 -1.26 -4.80 135.00 127.87 2nnn n PRO 52 Ca 0.00 0.53 -0.13 0.00 -0.04 0.00 0.00 63.50 63.86 2nnn n PRO 52 Cb 0.00 -2.08 -0.10 0.00 -0.04 0.00 0.00 33.50 31.28 2nnn n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2nnn n PRO 54 N 3.04 2.43 -0.26 0.00 -0.02 -1.26 -0.01 135.00 138.92 2nnn n PRO 54 Ca -0.15 0.86 0.04 0.00 -2.02 0.00 0.00 63.50 62.23 2nnn n PRO 54 Cb 0.57 -2.57 0.17 0.00 -0.02 0.00 0.00 33.50 31.64 2nnn n PRO 54 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2nnn h GLN 55 N 4.10 0.53 -0.38 -0.52 4.15 -1.94 0.18 115.11 121.22 2nnn h GLN 55 Ca -0.47 -0.03 -0.14 0.00 0.77 0.00 0.00 58.65 58.78 2nnn h GLN 55 Cb 1.25 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.81 2nnn h GLN 55 CO 0.74 0.35 -0.34 -0.91 -1.93 0.00 0.00 178.83 176.74 2nnn h ASN 56 N 0.55 0.91 -0.46 -0.69 2.35 -1.94 -0.68 115.58 115.61 2nnn h ASN 56 Ca 0.39 -0.39 0.04 0.00 -0.55 0.00 0.00 56.30 55.79 2nnn h ASN 56 Cb 0.51 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 2nnn h ASN 56 CO -0.33 1.16 0.23 -0.61 -1.65 0.00 0.00 177.43 176.22 2nnn h GLN 57 N 0.72 0.45 -0.96 0.81 5.75 -1.75 0.07 115.11 120.19 2nnn h GLN 57 Ca 0.07 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.54 2nnn h GLN 57 Cb 0.90 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 29.31 2nnn h GLN 57 CO 0.08 0.30 0.60 1.25 -2.65 0.00 0.00 178.83 178.41 2nnn h LEU 58 N 0.47 1.14 -0.14 -2.39 5.85 -0.62 -0.31 115.31 119.30 2nnn h LEU 58 Ca 0.20 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.88 2nnn h LEU 58 Cb 0.10 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2nnn h LEU 58 CO -0.13 0.86 0.03 1.23 -0.34 0.00 0.00 178.44 180.09 2nnn h GLY 59 N 1.32 0.16 1.06 3.75 0.00 -0.70 -2.03 103.07 106.63 2nnn h GLY 59 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2nnn h GLY 59 CO -0.07 0.00 0.60 3.21 0.00 0.00 0.00 176.54 180.29 2nnn h ARG 60 N 0.09 1.25 0.00 4.80 3.08 -0.45 0.07 114.38 123.22 2nnn h ARG 60 Ca 0.06 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2nnn h ARG 60 Cb 0.06 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 29.83 2nnn h ARG 60 CO -0.08 0.85 0.00 1.28 -1.07 0.00 0.00 179.97 180.94 2nnn n LEU 61 N -4.38 0.37 -0.13 3.04 4.77 -0.18 -2.82 117.00 117.69 2nnn n LEU 61 Ca 0.11 0.57 0.08 0.00 -0.03 0.00 0.00 56.01 56.74 2nnn n LEU 61 Cb 0.03 -0.50 0.11 0.00 -2.33 0.00 0.00 43.42 40.73 2nnn n LEU 61 CO 0.37 -0.33 0.52 0.35 -1.33 0.00 0.00 177.39 176.97 2nnn n THR 62 N -1.89 1.57 -2.91 -5.08 -2.24 -0.70 -5.08 114.28 97.96 2nnn n THR 62 Ca 0.04 -1.88 -0.01 0.00 -2.27 0.00 0.00 64.05 59.93 2nnn n THR 62 Cb 0.25 -0.09 -0.01 0.00 -2.10 0.00 0.00 70.33 68.38 2nnn n THR 62 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nnn n ALA 63 N -1.18 -2.72 -2.54 6.98 0.00 -0.07 -4.99 120.51 115.99 2nnn n ALA 63 Ca 0.13 0.56 -0.25 0.00 0.00 0.00 0.00 53.44 53.88 2nnn n ALA 63 Cb 0.63 -1.34 -0.10 0.00 0.00 0.00 0.00 19.45 18.64 2nnn n ALA 63 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2nnn s ASP 65 N -1.08 3.00 0.21 0.00 3.84 -1.26 -5.01 116.67 116.38 2nnn s ASP 65 Ca -0.04 -1.45 -0.16 0.00 -0.00 0.00 0.00 52.55 50.90 2nnn s ASP 65 Cb 0.00 -0.02 0.21 0.00 -1.38 0.00 0.00 42.92 41.74 2nnn s ASP 65 CO 0.43 -0.64 1.60 0.00 -0.00 0.00 0.00 175.17 176.56 2nnn h ALA 66 N 1.90 0.24 -0.30 2.11 0.00 -1.96 -0.88 119.26 120.37 2nnn h ALA 66 Ca -0.41 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2nnn h ALA 66 Cb 1.25 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 2nnn h ALA 66 CO 0.71 -0.53 0.08 0.00 0.00 0.00 0.00 179.25 179.52 2nnn h ALA 67 N 1.39 0.40 -0.47 0.00 0.00 -2.02 -2.73 119.26 115.83 2nnn h ALA 67 Ca 0.29 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2nnn h ALA 67 Cb 0.53 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2nnn h ALA 67 CO -0.71 0.04 0.02 1.15 0.00 0.00 0.00 179.25 179.75 2nnn h THR 68 N 0.33 1.26 -0.27 0.00 2.02 -1.84 -2.54 112.91 111.87 2nnn h THR 68 Ca 0.10 -1.03 -0.13 0.00 0.77 0.00 0.00 66.41 66.12 2nnn h THR 68 Cb 0.27 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 2nnn h THR 68 CO -0.00 0.36 -0.37 -0.29 0.37 0.00 0.00 175.52 175.59 2nnn h ILE 69 N 0.68 1.29 -0.50 3.11 6.09 -1.21 -2.49 117.51 124.48 2nnn h ILE 69 Ca 0.14 -1.51 0.07 0.00 -1.37 0.00 0.00 64.86 62.19 2nnn h ILE 69 Cb 0.48 1.48 -0.06 0.00 0.47 0.00 0.00 36.82 39.19 2nnn h ILE 69 CO 0.02 0.48 0.15 0.50 -3.07 0.00 0.00 178.15 176.24 2nnn h LYS 70 N 0.51 0.30 0.09 2.19 3.64 -1.38 0.04 116.57 121.96 2nnn h LYS 70 Ca 0.05 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2nnn h LYS 70 Cb 0.87 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 2nnn h LYS 70 CO 0.07 0.20 -0.12 0.78 -2.27 0.00 0.00 179.45 178.12 2nnn h GLY 71 N 0.31 -0.22 1.55 5.01 0.00 -1.13 -0.64 103.07 107.96 2nnn h GLY 71 Ca 0.24 0.14 -0.15 0.00 0.00 0.00 0.00 47.33 47.56 2nnn h GLY 71 CO -0.27 -0.12 -0.53 -0.39 0.00 0.00 0.00 176.54 175.22 2nnn h VAL 72 N -0.25 1.33 -0.69 4.60 -1.51 -1.21 -1.29 116.25 117.23 2nnn h VAL 72 Ca 0.02 -1.79 -0.03 0.00 -1.23 0.00 0.00 66.70 63.66 2nnn h VAL 72 Cb 0.25 1.79 -0.03 0.00 -2.13 0.00 0.00 31.29 31.17 2nnn h VAL 72 CO -0.06 0.55 0.30 0.58 -1.23 0.00 0.00 177.57 177.71 2nnn h VAL 73 N 0.37 1.24 -0.44 7.19 2.07 -0.91 0.56 116.25 126.33 2nnn h VAL 73 Ca 0.01 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 66.75 2nnn h VAL 73 Cb 1.06 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 2nnn h VAL 73 CO 0.10 0.29 0.02 -0.33 0.02 0.00 0.00 177.57 177.67 2nnn h GLU 74 N 0.97 0.70 -0.45 1.57 5.08 -0.90 0.22 114.58 121.77 2nnn h GLU 74 Ca 0.23 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 2nnn h GLU 74 Cb 0.17 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2nnn h GLU 74 CO -0.02 0.70 0.01 0.00 -1.00 0.00 0.00 179.01 178.69 2nnn h ARG 75 N 0.66 0.80 -0.71 2.33 -0.00 -0.87 -1.12 114.38 115.46 2nnn h ARG 75 Ca 0.14 -0.25 -0.03 0.00 -0.50 0.00 0.00 59.98 59.33 2nnn h ARG 75 Cb 0.38 -0.07 -0.03 0.00 0.00 0.00 0.00 29.97 30.24 2nnn h ARG 75 CO 0.01 0.85 0.32 -0.07 0.00 0.00 0.00 179.97 181.08 2nnn h LEU 76 N 0.64 0.95 0.04 3.04 4.07 -0.44 -2.16 115.31 121.45 2nnn h LEU 76 Ca 0.13 -0.15 -0.00 0.00 0.08 0.00 0.00 57.88 57.94 2nnn h LEU 76 Cb 0.49 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.98 2nnn h LEU 76 CO 0.02 0.84 -0.02 -0.78 -1.08 0.00 0.00 178.44 177.42 2nnn h ASP 77 N 1.00 -0.04 -0.99 -0.43 3.58 -0.54 -0.81 116.42 118.19 2nnn h ASP 77 Ca 0.24 -0.06 0.28 0.00 0.42 0.00 0.00 57.03 57.91 2nnn h ASP 77 Cb 0.15 0.01 -0.05 0.00 1.72 0.00 0.00 39.33 41.16 2nnn h ASP 77 CO -0.03 0.03 0.69 0.50 -2.88 0.00 0.00 179.24 177.56 2nnn h LYS 78 N -0.11 0.10 -0.01 0.28 3.11 -0.94 0.98 116.57 119.97 2nnn h LYS 78 Ca -0.00 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 2nnn h LYS 78 Cb 0.10 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.30 2nnn h LYS 78 CO 0.01 0.07 -0.14 0.54 -2.81 0.00 0.00 179.45 177.12 2nnn n ARG 79 N -4.33 1.34 -0.93 1.90 1.74 -0.84 -4.96 116.66 110.60 2nnn n ARG 79 Ca 0.21 -0.84 0.00 0.00 -0.77 0.00 0.00 57.85 56.45 2nnn n ARG 79 Cb 0.99 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.95 2nnn n ARG 79 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2nnn n GLY 80 N 1.27 0.46 0.01 -0.13 0.00 0.34 -4.97 105.19 102.16 2nnn n GLY 80 Ca 0.15 -0.70 0.11 0.00 0.00 0.00 0.00 46.02 45.57 2nnn n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2nnn n LEU 81 N 0.00 0.65 -4.22 0.99 4.77 -0.35 -4.36 117.00 114.47 2nnn n LEU 81 Ca 0.00 -0.28 -0.18 0.00 -0.03 0.00 0.00 56.01 55.53 2nnn n LEU 81 Cb 0.00 -0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 40.96 2nnn n LEU 81 CO 0.00 0.15 -0.45 0.27 -1.33 0.00 0.00 177.39 176.03 2nnn s ILE 82 N -3.18 1.24 0.04 -0.08 -5.25 -1.25 -1.36 121.20 111.37 2nnn s ILE 82 Ca 0.03 -1.63 0.06 0.00 -0.99 0.00 0.00 60.65 58.12 2nnn s ILE 82 Cb 0.15 -1.42 -0.02 0.00 2.95 0.00 0.00 42.46 44.12 2nnn s ILE 82 CO 0.87 -0.39 -0.17 0.00 -1.79 0.00 0.00 174.94 173.46 2nnn s GLN 83 N -2.50 1.12 -0.01 0.37 -2.07 0.21 -4.61 119.66 112.18 2nnn s GLN 83 Ca 0.06 -0.84 0.01 0.00 -1.82 0.00 0.00 55.36 52.77 2nnn s GLN 83 Cb -0.06 -1.18 -0.04 0.00 -1.09 0.00 0.00 33.01 30.64 2nnn s GLN 83 CO 0.02 0.30 0.00 1.03 -1.32 0.00 0.00 175.29 175.32 2nnn s ARG 84 N -1.17 2.81 -0.01 9.60 0.52 -1.26 -0.54 118.95 128.90 2nnn s ARG 84 Ca 0.04 -0.59 -0.18 0.00 -0.52 0.00 0.00 55.73 54.48 2nnn s ARG 84 Cb -0.08 -2.69 0.03 0.00 0.52 0.00 0.00 34.95 32.73 2nnn s ARG 84 CO 0.02 0.63 0.39 -1.54 0.02 0.00 0.00 175.30 174.81 2nnn s SER 85 N -1.49 -0.28 0.26 0.23 1.04 -0.61 -4.98 113.70 107.88 2nnn s SER 85 Ca 0.19 0.16 -0.31 0.00 0.48 0.00 0.00 55.95 56.48 2nnn s SER 85 Cb -0.11 0.37 -0.11 0.00 0.10 0.00 0.00 66.02 66.26 2nnn s SER 85 CO 0.09 -0.51 1.63 0.00 0.98 0.00 0.00 173.24 175.43 2nnn s ALA 86 N -1.53 3.81 -0.01 5.32 0.00 -1.26 -0.29 121.76 127.79 2nnn s ALA 86 Ca -0.12 1.57 -0.30 0.00 0.00 0.00 0.00 51.96 53.11 2nnn s ALA 86 Cb -0.03 -3.66 -0.07 0.00 0.00 0.00 0.00 23.12 19.36 2nnn s ALA 86 CO 0.04 -0.95 1.72 0.34 0.00 0.00 0.00 175.76 176.90 2nnn s ASP 87 N 0.73 6.62 0.56 0.00 -1.08 -0.42 -4.72 116.67 118.36 2nnn s ASP 87 Ca 0.67 2.36 0.37 0.00 -0.52 0.00 0.00 52.55 55.43 2nnn s ASP 87 Cb -0.48 -2.54 1.73 0.00 -1.46 0.00 0.00 42.92 40.17 2nnn s ASP 87 CO 0.42 -0.94 2.09 1.55 0.52 0.00 0.00 175.17 178.81 2nnn h PRO 88 N 9.54 0.00 0.00 4.34 0.13 -1.91 -3.09 132.00 141.01 2nnn h PRO 88 Ca -0.42 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.68 2nnn h PRO 88 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2nnn h PRO 88 CO 0.95 0.00 -1.77 -0.25 -0.23 0.00 0.00 178.00 176.69 2nnn n ASP 89 N -2.98 0.22 -3.44 1.44 8.00 -1.26 -4.75 116.55 113.78 2nnn n ASP 89 Ca -0.01 0.09 -0.22 0.00 0.71 0.00 0.00 54.79 55.36 2nnn n ASP 89 Cb 0.20 1.53 -0.11 0.00 -0.02 0.00 0.00 41.12 42.71 2nnn n ASP 89 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2nnn s ASP 90 N -4.81 2.33 0.66 -2.24 -1.08 -1.17 -5.04 116.67 105.32 2nnn s ASP 90 Ca -0.06 -1.20 0.36 0.00 -0.52 0.00 0.00 52.55 51.13 2nnn s ASP 90 Cb 0.12 0.15 1.97 0.00 -1.46 0.00 0.00 42.92 43.70 2nnn s ASP 90 CO 0.87 -0.38 2.12 1.23 0.52 0.00 0.00 175.17 179.54 2nnn h GLY 91 N 8.00 0.00 2.00 2.66 0.00 -1.84 -1.89 103.07 112.00 2nnn h GLY 91 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2nnn h GLY 91 CO 0.34 0.00 0.00 3.21 0.00 0.00 0.00 176.54 180.09 2nnn h ARG 92 N 0.00 0.00 -6.15 4.80 3.08 -1.96 -3.43 114.38 110.71 2nnn h ARG 92 Ca 0.01 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.50 2nnn h ARG 92 Cb 0.38 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.34 2nnn h ARG 92 CO -0.00 0.00 -0.61 -0.98 -1.07 0.00 0.00 179.97 177.31 2nnn s ARG 93 N -3.25 2.30 0.05 0.04 1.70 -0.71 -5.04 118.95 114.04 2nnn s ARG 93 Ca 0.07 -1.48 0.02 0.00 -0.47 0.00 0.00 55.73 53.86 2nnn s ARG 93 Cb 0.10 -2.14 -0.04 0.00 -0.57 0.00 0.00 34.95 32.30 2nnn s ARG 93 CO 0.55 0.27 0.08 -0.51 -1.08 0.00 0.00 175.30 174.61 2nnn s LEU 94 N -3.73 3.83 -0.18 -1.89 2.01 -1.26 -1.30 118.68 116.17 2nnn s LEU 94 Ca 0.33 0.05 -0.09 0.00 0.01 0.00 0.00 54.13 54.43 2nnn s LEU 94 Cb -0.05 -2.40 -0.05 0.00 0.01 0.00 0.00 46.19 43.71 2nnn s LEU 94 CO 0.21 0.21 0.14 -0.76 1.01 0.00 0.00 176.35 177.15 2nnn s LEU 95 N -2.11 4.26 -0.08 1.79 1.02 0.60 -4.24 118.68 119.91 2nnn s LEU 95 Ca 0.27 0.30 -0.14 0.00 0.02 0.00 0.00 54.13 54.58 2nnn s LEU 95 Cb -0.12 -2.09 -0.05 0.00 0.02 0.00 0.00 46.19 43.95 2nnn s LEU 95 CO 0.19 0.25 0.35 -0.69 0.02 0.00 0.00 176.35 176.46 2nnn s VAL 96 N -0.04 5.20 0.03 -1.59 1.01 0.99 -1.57 120.40 124.43 2nnn s VAL 96 Ca 0.10 0.70 -0.01 0.00 0.00 0.00 0.00 61.98 62.77 2nnn s VAL 96 Cb -0.11 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 2nnn s VAL 96 CO -0.00 0.48 -0.02 -0.55 0.00 0.00 0.00 175.10 175.01 2nnn s SER 97 N -0.31 0.30 0.28 3.32 0.15 0.30 -0.83 113.70 116.91 2nnn s SER 97 Ca 0.21 -0.62 -0.29 0.00 0.70 0.00 0.00 55.95 55.94 2nnn s SER 97 Cb -0.15 0.13 -0.10 0.00 -1.71 0.00 0.00 66.02 64.20 2nnn s SER 97 CO 0.09 -0.39 1.32 -0.76 1.20 0.00 0.00 173.24 174.70 2nnn s LEU 98 N -1.87 4.43 0.76 3.45 1.02 -1.26 0.65 118.68 125.86 2nnn s LEU 98 Ca -0.09 2.58 -0.11 0.00 0.02 0.00 0.00 54.13 56.53 2nnn s LEU 98 Cb -0.05 -3.63 0.05 0.00 0.02 0.00 0.00 46.19 42.58 2nnn s LEU 98 CO -0.03 -0.54 1.08 -0.44 0.02 0.00 0.00 176.35 176.44 2nnn s SER 99 N -0.15 4.68 0.30 2.29 0.01 -0.46 -4.55 113.70 115.83 2nnn s SER 99 Ca 0.52 1.77 0.06 0.00 1.31 0.00 0.00 55.95 59.61 2nnn s SER 99 Cb -0.39 -2.50 0.76 0.00 0.21 0.00 0.00 66.02 64.10 2nnn s SER 99 CO 0.47 -1.91 1.77 -0.65 0.41 0.00 0.00 173.24 173.32 2nnn h PRO 100 N -1.04 0.72 -0.21 12.44 0.11 -1.89 0.14 132.00 142.27 2nnn h PRO 100 Ca -0.44 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 2nnn h PRO 100 Cb 1.23 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2nnn h PRO 100 CO 0.53 0.47 -0.26 0.00 -0.21 0.00 0.00 178.00 178.53 2nnn h ALA 101 N 1.66 1.17 -0.14 -0.75 0.00 -1.89 -1.08 119.26 118.23 2nnn h ALA 101 Ca 0.59 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.99 2nnn h ALA 101 Cb 0.95 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.63 2nnn h ALA 101 CO -0.40 0.53 -0.58 0.78 0.00 0.00 0.00 179.25 179.59 2nnn h GLY 102 N 1.02 0.70 1.32 0.00 0.00 -1.30 -1.16 103.07 103.65 2nnn h GLY 102 Ca 0.05 -0.96 -0.03 0.00 0.00 0.00 0.00 47.33 46.40 2nnn h GLY 102 CO 0.05 0.85 0.27 -0.09 0.00 0.00 0.00 176.54 177.62 2nnn h ARG 103 N 0.30 0.88 -0.28 4.80 9.65 -0.63 -0.86 114.38 128.23 2nnn h ARG 103 Ca -0.03 -0.12 -0.07 0.00 -1.10 0.00 0.00 59.98 58.65 2nnn h ARG 103 Cb 1.21 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.62 2nnn h ARG 103 CO 0.12 0.70 -0.10 0.00 2.80 0.00 0.00 179.97 183.49 2nnn h ALA 104 N 1.43 0.39 -0.70 2.80 0.00 -1.13 -1.69 119.26 120.36 2nnn h ALA 104 Ca 0.21 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2nnn h ALA 104 Cb 0.13 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2nnn h ALA 104 CO -0.02 0.24 0.23 0.93 0.00 0.00 0.00 179.25 180.62 2nnn h GLU 105 N 0.31 1.06 0.33 0.00 5.08 -1.00 0.99 114.58 121.37 2nnn h GLU 105 Ca 0.07 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 2nnn h GLU 105 Cb 0.60 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2nnn h GLU 105 CO 0.03 0.90 -0.17 1.25 -1.00 0.00 0.00 179.01 180.02 2nnn h LEU 106 N 1.03 -0.40 -0.45 1.33 5.85 -1.13 -0.47 115.31 121.05 2nnn h LEU 106 Ca 0.23 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 2nnn h LEU 106 Cb 0.27 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 2nnn h LEU 106 CO -0.01 -0.28 0.26 -0.33 -0.34 0.00 0.00 178.44 177.74 2nnn h GLU 107 N -0.46 0.62 0.00 1.25 4.39 -1.15 -2.41 114.58 116.82 2nnn h GLU 107 Ca -0.04 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 2nnn h GLU 107 Cb 0.36 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2nnn h GLU 107 CO 0.07 0.47 -0.04 0.00 -1.16 0.00 0.00 179.01 178.35 2nnn h ALA 108 N 1.12 1.07 -0.01 3.43 0.00 -0.65 -3.18 119.26 121.04 2nnn h ALA 108 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2nnn h ALA 108 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2nnn h ALA 108 CO -0.03 0.05 -0.64 0.41 0.00 0.00 0.00 179.25 179.04 2nnn n GLY 109 N -0.48 -0.38 0.22 0.00 0.00 -0.20 -4.68 105.19 99.68 2nnn n GLY 109 Ca -0.01 -0.51 -0.07 0.00 0.00 0.00 0.00 46.02 45.43 2nnn n GLY 109 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2nnn h LEU 110 N 0.87 0.64 -0.40 0.99 3.38 -1.42 -1.91 115.31 117.46 2nnn h LEU 110 Ca 0.00 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2nnn h LEU 110 Cb 0.51 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2nnn h LEU 110 CO 0.00 0.50 0.21 0.00 0.09 0.00 0.00 178.44 179.24 2nnn h ALA 111 N 1.16 0.51 -0.57 1.53 0.00 -1.83 -0.89 119.26 119.17 2nnn h ALA 111 Ca 0.19 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2nnn h ALA 111 Cb -0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2nnn h ALA 111 CO -0.04 0.04 0.36 0.00 0.00 0.00 0.00 179.25 179.62 2nnn h ALA 112 N 1.07 0.73 -0.34 0.00 0.00 -1.81 -1.85 119.26 117.06 2nnn h ALA 112 Ca 0.14 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2nnn h ALA 112 Cb 0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2nnn h ALA 112 CO -0.02 0.11 0.19 0.00 0.00 0.00 0.00 179.25 179.54 2nnn h ALA 113 N 1.23 0.43 -0.59 0.00 0.00 -1.08 -0.27 119.26 118.99 2nnn h ALA 113 Ca 0.22 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.17 2nnn h ALA 113 Cb -0.03 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.55 2nnn h ALA 113 CO -0.07 -0.05 0.17 0.00 0.00 0.00 0.00 179.25 179.29 2nnn h ARG 114 N 0.43 0.31 -0.79 0.00 3.08 -1.04 -1.66 114.38 114.70 2nnn h ARG 114 Ca 0.12 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 2nnn h ARG 114 Cb 0.03 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 2nnn h ARG 114 CO -0.02 0.20 0.32 1.49 -1.07 0.00 0.00 179.97 180.89 2nnn h GLU 115 N 0.32 1.19 -0.48 0.04 4.57 -0.87 -1.08 114.58 118.26 2nnn h GLU 115 Ca 0.30 -0.22 0.01 0.00 -1.18 0.00 0.00 59.36 58.27 2nnn h GLU 115 Cb 0.41 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.78 2nnn h GLU 115 CO -0.35 0.96 0.31 0.82 -1.18 0.00 0.00 179.01 179.58 2nnn h ILE 116 N 1.16 1.11 -0.19 2.32 2.04 -0.66 -0.10 117.51 123.18 2nnn h ILE 116 Ca 0.26 -0.22 -0.06 0.00 1.00 0.00 0.00 64.86 65.85 2nnn h ILE 116 Cb 0.22 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 2nnn h ILE 116 CO -0.02 0.12 -0.13 0.78 0.00 0.00 0.00 178.15 178.90 2nnn h ASN 117 N 0.64 0.29 -0.23 1.72 -0.26 -0.89 -0.08 115.58 116.77 2nnn h ASN 117 Ca 0.18 -0.06 -0.15 0.00 -0.56 0.00 0.00 56.30 55.71 2nnn h ASN 117 Cb -0.06 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.12 2nnn h ASN 117 CO -0.05 0.45 -0.43 0.03 -1.06 0.00 0.00 177.43 176.38 2nnn h ARG 118 N 0.29 0.69 -0.58 0.81 3.08 -0.78 -2.80 114.38 115.09 2nnn h ARG 118 Ca 0.06 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.67 2nnn h ARG 118 Cb 0.41 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 2nnn h ARG 118 CO 0.02 1.06 0.36 1.96 -1.07 0.00 0.00 179.97 182.31 2nnn h GLN 119 N 0.41 0.77 -0.68 0.04 4.20 -0.73 -0.95 115.11 118.17 2nnn h GLN 119 Ca 0.01 -0.06 0.09 0.00 0.06 0.00 0.00 58.65 58.75 2nnn h GLN 119 Cb 1.03 -0.17 -0.07 0.00 0.30 0.00 0.00 27.48 28.57 2nnn h GLN 119 CO 0.10 0.54 0.32 0.00 -0.67 0.00 0.00 178.83 179.11 2nnn h ALA 120 N 1.19 0.92 -0.02 3.87 0.00 -1.00 -2.36 119.26 121.86 2nnn h ALA 120 Ca 0.21 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2nnn h ALA 120 Cb -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2nnn h ALA 120 CO -0.04 -0.09 -0.03 1.28 0.00 0.00 0.00 179.25 180.37 2nnn n LEU 121 N -4.90 1.58 0.20 0.00 4.77 -1.06 -4.48 117.00 113.11 2nnn n LEU 121 Ca 0.10 -0.52 0.07 0.00 -0.03 0.00 0.00 56.01 55.63 2nnn n LEU 121 Cb 0.27 -0.01 0.59 0.00 -2.33 0.00 0.00 43.42 41.94 2nnn n LEU 121 CO 0.24 0.27 1.08 0.00 -1.33 0.00 0.00 177.39 177.65 2nnn h ALA 122 N 4.32 1.93 0.00 -1.18 0.00 -0.61 0.74 119.26 124.46 2nnn h ALA 122 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2nnn h ALA 122 Cb 0.54 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2nnn h ALA 122 CO 0.00 0.06 0.00 -2.30 0.00 0.00 0.00 179.25 177.01 2nnn n PRO 123 N -4.52 0.03 -4.40 0.00 -0.02 -1.26 -4.70 135.00 120.13 2nnn n PRO 123 Ca -0.02 0.37 -0.33 0.00 -2.02 0.00 0.00 63.50 61.51 2nnn n PRO 123 Cb 0.09 -1.57 -0.10 0.00 -0.02 0.00 0.00 33.50 31.90 2nnn n PRO 123 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2nnn s LEU 124 N -3.25 3.35 0.74 2.45 1.02 0.25 -5.12 118.68 118.13 2nnn s LEU 124 Ca 0.04 -0.04 -0.11 0.00 0.02 0.00 0.00 54.13 54.04 2nnn s LEU 124 Cb 0.06 -1.89 0.03 0.00 0.02 0.00 0.00 46.19 44.42 2nnn s LEU 124 CO 0.19 0.30 1.08 -0.94 0.02 0.00 0.00 176.35 176.99 2nnn s SER 125 N -1.35 4.93 0.33 2.29 1.04 -1.26 -4.76 113.70 114.92 2nnn s SER 125 Ca 0.17 1.66 0.12 0.00 0.48 0.00 0.00 55.95 58.39 2nnn s SER 125 Cb -0.11 -2.46 0.97 0.00 0.10 0.00 0.00 66.02 64.52 2nnn s SER 125 CO 0.07 -1.74 1.71 -0.07 0.98 0.00 0.00 173.24 174.19 2nnn h LEU 126 N -0.93 0.61 0.21 2.42 3.38 -1.97 0.41 115.31 119.43 2nnn h LEU 126 Ca -0.44 0.15 -0.33 0.00 0.09 0.00 0.00 57.88 57.35 2nnn h LEU 126 Cb 1.22 0.06 0.02 0.00 0.09 0.00 0.00 40.66 42.06 2nnn h LEU 126 CO 0.55 0.03 -1.50 0.06 0.09 0.00 0.00 178.44 177.66 2nnn h GLN 127 N 0.48 0.44 -0.71 1.13 -0.00 -1.99 -2.90 115.11 111.55 2nnn h GLN 127 Ca 0.67 -0.75 0.05 0.00 -0.00 0.00 0.00 58.65 58.62 2nnn h GLN 127 Cb 1.41 0.28 -0.04 0.00 -0.00 0.00 0.00 27.48 29.12 2nnn h GLN 127 CO -0.50 1.35 0.47 0.93 -0.00 0.00 0.00 178.83 181.08 2nnn h GLU 128 N 0.12 0.79 -0.58 0.06 5.08 -1.65 0.70 114.58 119.09 2nnn h GLU 128 Ca -0.25 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.00 2nnn h GLU 128 Cb 2.11 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 31.16 2nnn h GLU 128 CO 0.23 0.52 0.14 1.96 -1.00 0.00 0.00 179.01 180.86 2nnn h GLN 129 N 0.81 0.90 -0.35 2.33 4.20 -0.97 0.08 115.11 122.11 2nnn h GLN 129 Ca 0.30 -0.19 -0.10 0.00 0.06 0.00 0.00 58.65 58.71 2nnn h GLN 129 Cb 0.15 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 2nnn h GLN 129 CO -0.09 0.81 -0.16 0.93 -0.67 0.00 0.00 178.83 179.65 2nnn h GLU 130 N 0.86 0.73 0.26 1.46 5.08 -1.06 -0.79 114.58 121.13 2nnn h GLU 130 Ca 0.19 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2nnn h GLU 130 Cb 0.32 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2nnn h GLU 130 CO -0.00 0.92 -0.17 1.15 -1.00 0.00 0.00 179.01 179.92 2nnn h THR 131 N 0.51 0.65 -0.00 1.13 2.02 -0.71 -2.70 112.91 113.80 2nnn h THR 131 Ca 0.08 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.26 2nnn h THR 131 Cb 0.70 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2nnn h THR 131 CO 0.05 0.00 0.00 0.25 0.37 0.00 0.00 175.52 176.19 2nnn h LEU 132 N -0.42 0.01 -0.33 2.58 5.85 -0.97 -1.46 115.31 120.57 2nnn h LEU 132 Ca -0.02 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.66 2nnn h LEU 132 Cb 0.35 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 2nnn h LEU 132 CO 0.02 0.11 -0.10 -0.09 -0.34 0.00 0.00 178.44 178.05 2nnn h ARG 133 N -0.10 -0.02 -0.76 1.25 2.43 -1.19 0.11 114.38 116.09 2nnn h ARG 133 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2nnn h ARG 133 Cb 0.11 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 2nnn h ARG 133 CO -0.00 -0.01 0.31 0.78 -1.51 0.00 0.00 179.97 179.54 2nnn h GLY 134 N -0.02 1.22 0.90 2.80 0.00 -1.40 -2.37 103.07 104.20 2nnn h GLY 134 Ca 0.16 -0.65 -0.08 0.00 0.00 0.00 0.00 47.33 46.76 2nnn h GLY 134 CO -0.35 0.62 -0.12 1.41 0.00 0.00 0.00 176.54 178.09 2nnn h LEU 135 N 1.10 0.62 -1.38 3.11 4.07 -0.63 -3.15 115.31 119.04 2nnn h LEU 135 Ca 0.25 -0.40 -0.05 0.00 0.08 0.00 0.00 57.88 57.77 2nnn h LEU 135 Cb 0.20 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 2nnn h LEU 135 CO -0.02 0.88 -0.10 -0.07 -1.08 0.00 0.00 178.44 178.05 2nnn h LEU 136 N 0.36 0.27 -2.47 1.67 3.38 -0.78 -2.77 115.31 114.97 2nnn h LEU 136 Ca 0.07 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2nnn h LEU 136 Cb 0.63 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2nnn h LEU 136 CO 0.04 0.41 -0.01 0.00 0.09 0.00 0.00 178.44 178.97 2nnn h ALA 137 N 1.63 1.04 -0.01 1.53 0.00 -1.38 0.02 119.26 122.09 2nnn h ALA 137 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2nnn h ALA 137 Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2nnn h ALA 137 CO 0.02 0.01 -0.12 0.54 0.00 0.00 0.00 179.25 179.70 2nnn n ARG 138 N -3.15 1.33 -0.14 0.00 1.74 -1.04 -4.08 116.66 111.31 2nnn n ARG 138 Ca -0.02 -0.80 0.10 0.00 -0.77 0.00 0.00 57.85 56.35 2nnn n ARG 138 Cb 0.15 -1.48 0.16 0.00 -1.02 0.00 0.00 32.46 30.27 2nnn n ARG 138 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2nnn n LEU 139 N -0.13 2.60 -0.55 0.55 4.77 -0.01 -5.14 117.00 119.08 2nnn n LEU 139 Ca 0.16 -3.10 0.07 0.00 -0.03 0.00 0.00 56.01 53.10 2nnn n LEU 139 Cb 0.36 -0.45 0.06 0.00 -2.33 0.00 0.00 43.42 41.06 2nnn n LEU 139 CO 0.21 0.72 0.47 2.30 -1.33 0.00 0.00 177.39 179.76