#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 0.39 -0.30 0.55 5.85 -2.06 -2.06 115.31 117.68 2nnn h LEU 9 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 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 0.22 0.00 0.47 -0.34 0.00 0.00 178.44 178.79 2nnn n ASP 10 N -4.47 0.25 -0.51 1.25 8.00 -1.26 -1.81 116.55 118.00 2nnn n ASP 10 Ca 0.12 0.57 0.10 0.00 0.71 0.00 0.00 54.79 56.29 2nnn n ASP 10 Cb 0.46 -0.62 0.01 0.00 -0.02 0.00 0.00 41.12 40.95 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 -1.78 2.02 -4.72 -2.24 8.00 -0.77 -4.79 116.55 112.26 2nnn n ASP 11 Ca 0.02 -1.51 -0.41 0.00 0.71 0.00 0.00 54.79 53.60 2nnn n ASP 11 Cb 0.17 0.42 -0.04 0.00 -0.02 0.00 0.00 41.12 41.65 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 -2.24 4.56 0.24 -1.24 -1.52 -0.75 -4.97 119.66 113.74 2nnn s GLN 12 Ca 0.18 1.64 -0.04 0.00 -1.95 0.00 0.00 55.36 55.18 2nnn s GLN 12 Cb 0.17 -3.35 0.45 0.00 -0.22 0.00 0.00 33.01 30.06 2nnn s GLN 12 CO 0.49 -0.02 1.74 0.97 -0.25 0.00 0.00 175.29 178.22 2nnn h ILE 13 N 4.20 0.69 0.06 1.08 6.09 -1.93 -1.74 117.51 125.95 2nnn h ILE 13 Ca -0.43 -0.17 -0.00 0.00 -1.37 0.00 0.00 64.86 62.89 2nnn h ILE 13 Cb 1.21 0.17 0.00 0.00 0.47 0.00 0.00 36.82 38.67 2nnn h ILE 13 CO 0.75 0.09 -0.03 1.23 -3.07 0.00 0.00 178.15 177.12 2nnn h GLY 14 N 0.48 -0.08 0.78 8.18 0.00 -1.94 0.11 103.07 110.60 2nnn h GLY 14 Ca 0.41 0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.78 2nnn h GLY 14 CO -0.38 -0.03 -0.09 -2.75 0.00 0.00 0.00 176.54 173.29 2nnn h PHE 15 N -0.13 -0.23 -0.52 5.60 3.57 -1.80 -0.02 116.94 123.41 2nnn h PHE 15 Ca -0.01 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.60 2nnn h PHE 15 Cb 0.11 0.10 -0.10 0.00 2.79 0.00 0.00 35.95 38.85 2nnn h PHE 15 CO -0.06 -0.14 -0.17 0.82 -2.23 0.00 0.00 178.31 176.53 2nnn h ILE 16 N -0.17 0.41 -0.42 1.41 1.08 -1.21 -2.19 117.51 116.42 2nnn h ILE 16 Ca 0.03 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.48 2nnn h ILE 16 Cb 0.20 0.41 -0.02 0.00 -3.07 0.00 0.00 36.82 34.34 2nnn h ILE 16 CO -0.09 0.00 0.16 -0.07 -0.69 0.00 0.00 178.15 177.47 2nnn h LEU 17 N -0.05 0.58 -0.90 1.44 3.38 -0.39 -2.10 115.31 117.27 2nnn h LEU 17 Ca 0.25 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2nnn h LEU 17 Cb 0.43 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 2nnn h LEU 17 CO -0.56 0.60 0.37 -0.09 0.09 0.00 0.00 178.44 178.85 2nnn h ARG 18 N 0.54 1.17 -0.36 1.13 2.43 -0.72 -1.47 114.38 117.08 2nnn h ARG 18 Ca 0.14 -0.18 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 2nnn h ARG 18 Cb 0.20 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2nnn h ARG 18 CO -0.01 0.91 -0.09 1.96 -1.51 0.00 0.00 179.97 181.23 2nnn h GLN 19 N 1.15 0.70 -0.72 0.20 4.20 -1.31 -0.01 115.11 119.33 2nnn h GLN 19 Ca 0.27 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2nnn h GLN 19 Cb 0.14 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 2nnn h GLN 19 CO -0.03 0.86 0.41 0.00 -0.67 0.00 0.00 178.83 179.40 2nnn h ALA 20 N 0.82 0.92 -0.60 3.87 0.00 -1.17 0.15 119.26 123.25 2nnn h ALA 20 Ca 0.09 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2nnn h ALA 20 Cb 0.60 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2nnn h ALA 20 CO 0.04 0.41 0.36 -0.91 0.00 0.00 0.00 179.25 179.14 2nnn h ASN 21 N 0.98 0.72 -0.55 0.00 2.35 -1.21 0.87 115.58 118.75 2nnn h ASN 21 Ca 0.26 -0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.89 2nnn h ASN 21 Cb 0.00 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 2nnn h ASN 21 CO -0.04 0.58 0.18 1.56 -1.65 0.00 0.00 177.43 178.05 2nnn h GLN 22 N 0.81 0.90 -0.38 0.81 4.20 -0.36 0.12 115.11 121.21 2nnn h GLN 22 Ca 0.21 -0.17 -0.11 0.00 0.06 0.00 0.00 58.65 58.64 2nnn h GLN 22 Cb -0.01 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 2nnn h GLN 22 CO -0.04 0.78 -0.23 -0.09 -0.67 0.00 0.00 178.83 178.58 2nnn h ARG 23 N 0.87 0.75 -0.02 1.46 2.43 -0.55 -2.11 114.38 117.21 2nnn h ARG 23 Ca 0.20 -0.30 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 2nnn h ARG 23 Cb 0.26 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2nnn h ARG 23 CO -0.01 0.91 0.00 -0.92 -1.51 0.00 0.00 179.97 178.44 2nnn h TYR 24 N 0.65 0.03 -0.71 2.20 3.20 -0.31 -2.19 116.97 119.84 2nnn h TYR 24 Ca 0.09 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.11 2nnn h TYR 24 Cb 0.73 -0.01 -0.11 0.00 1.54 0.00 0.00 36.73 38.88 2nnn h TYR 24 CO 0.04 0.31 0.12 0.00 -1.64 0.00 0.00 178.16 176.98 2nnn h ALA 25 N 0.72 0.86 -0.14 1.82 0.00 -0.74 -0.04 119.26 121.74 2nnn h ALA 25 Ca 0.00 0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.92 2nnn h ALA 25 Cb 0.29 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2nnn h ALA 25 CO 0.00 -0.36 -0.64 0.00 0.00 0.00 0.00 179.25 178.24 2nnn h ALA 26 N 1.61 0.63 -0.47 0.00 0.00 -1.38 -0.65 119.26 119.00 2nnn h ALA 26 Ca 0.39 -0.56 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 2nnn h ALA 26 Cb 0.67 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2nnn h ALA 26 CO -0.53 0.72 0.07 -0.07 0.00 0.00 0.00 179.25 179.44 2nnn h LEU 27 N 0.37 0.74 -0.12 0.00 3.38 -1.15 -2.55 115.31 115.97 2nnn h LEU 27 Ca -0.01 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.70 2nnn h LEU 27 Cb 1.21 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2nnn h LEU 27 CO 0.12 0.82 0.05 0.15 0.09 0.00 0.00 178.44 179.66 2nnn h PHE 28 N 0.64 0.08 0.00 1.13 3.57 -0.78 -1.93 116.94 119.66 2nnn h PHE 28 Ca 0.14 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.59 2nnn h PHE 28 Cb 0.39 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 2nnn h PHE 28 CO 0.03 0.05 -0.27 0.00 -2.23 0.00 0.00 178.31 175.88 2nnn h ALA 29 N 1.07 1.54 0.00 2.41 0.00 -1.09 -0.63 119.26 122.56 2nnn h ALA 29 Ca 0.05 -0.25 -0.20 0.00 0.00 0.00 0.00 54.91 54.52 2nnn h ALA 29 Cb 0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2nnn h ALA 29 CO -0.05 0.34 -0.95 -0.91 0.00 0.00 0.00 179.25 177.68 2nnn h ASN 30 N 0.00 0.00 0.00 0.00 2.35 -1.37 -3.39 115.58 113.17 2nnn h ASN 30 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2nnn h ASN 30 Cb 0.48 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.85 2nnn h ASN 30 CO 0.04 0.95 -1.46 0.61 -1.65 0.00 0.00 177.43 175.91 2nnn n GLY 31 N 1.26 -0.65 0.27 2.83 0.00 -0.73 -4.74 105.19 103.43 2nnn n GLY 31 Ca 0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 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 1.27 0.00 -0.61 6.09 -1.33 -3.45 117.51 119.48 2nnn h ILE 32 Ca 0.00 -1.38 0.00 0.00 -1.37 0.00 0.00 64.86 62.11 2nnn h ILE 32 Cb 0.63 1.21 0.00 0.00 0.47 0.00 0.00 36.82 39.13 2nnn h ILE 32 CO 0.00 0.47 0.00 0.61 -3.07 0.00 0.00 178.15 176.16 2nnn n GLY 33 N -0.07 2.74 0.31 8.18 0.00 -1.26 -4.81 105.19 110.29 2nnn n GLY 33 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.05 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 1.63 0.00 1.61 0.23 -1.26 -5.01 115.26 112.46 2nnn n ASN 34 Ca 0.00 -1.31 0.00 0.00 -0.53 0.00 0.00 54.58 52.74 2nnn n ASN 34 Cb 0.00 0.04 0.00 0.00 -2.08 0.00 0.00 39.78 37.74 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 0.48 1.10 3.77 4.83 0.00 -1.26 -5.03 105.19 109.09 2nnn n GLY 35 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 4.52 0.68 0.99 1.43 -1.26 -5.07 118.68 119.96 2nnn s LEU 36 Ca 0.00 1.82 -0.12 0.00 -1.03 0.00 0.00 54.13 54.80 2nnn s LEU 36 Cb 0.00 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 42.54 2nnn s LEU 36 CO 0.00 0.09 1.06 0.42 0.23 0.00 0.00 176.35 178.15 2nnn s THR 37 N -1.34 3.91 0.36 5.49 -4.23 -1.26 -4.86 115.64 113.71 2nnn s THR 37 Ca 0.43 0.69 0.13 0.00 -1.18 0.00 0.00 61.69 61.76 2nnn s THR 37 Cb -0.22 -3.35 0.35 0.00 1.34 0.00 0.00 72.50 70.61 2nnn s THR 37 CO 0.28 -0.75 1.78 -0.65 -0.54 0.00 0.00 174.62 174.74 2nnn h PRO 38 N -0.47 0.53 -0.05 3.99 0.11 -1.96 -1.35 132.00 132.81 2nnn h PRO 38 Ca -0.44 -0.03 -0.23 0.00 0.11 0.00 0.00 66.00 65.41 2nnn h PRO 38 Cb 1.21 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 32.21 2nnn h PRO 38 CO 0.56 0.35 -0.88 1.79 -0.21 0.00 0.00 178.00 179.62 2nnn h THR 39 N 0.55 1.34 -0.16 -1.15 1.35 -1.98 0.15 112.91 113.01 2nnn h THR 39 Ca 0.57 -2.22 0.01 0.00 -0.55 0.00 0.00 66.41 64.22 2nnn h THR 39 Cb 1.19 2.24 -0.02 0.00 -1.73 0.00 0.00 68.15 69.84 2nnn h THR 39 CO -0.32 0.68 0.06 1.56 -0.25 0.00 0.00 175.52 177.24 2nnn h GLN 40 N 0.35 0.13 -0.72 4.72 4.20 -1.82 -1.85 115.11 120.12 2nnn h GLN 40 Ca -0.07 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.67 2nnn h GLN 40 Cb 1.51 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 29.21 2nnn h GLN 40 CO 0.16 0.09 0.44 2.35 -0.67 0.00 0.00 178.83 181.20 2nnn h TRP 41 N 0.13 0.82 -0.44 2.96 2.91 -1.12 -2.58 115.95 118.64 2nnn h TRP 41 Ca 0.07 0.02 0.05 0.00 1.13 0.00 0.00 58.89 60.16 2nnn h TRP 41 Cb 0.04 -0.27 -0.04 0.00 -0.51 0.00 0.00 29.16 28.38 2nnn h TRP 41 CO -0.11 0.44 0.18 0.00 -1.03 0.00 0.00 178.44 177.93 2nnn h ALA 42 N 1.33 0.54 -0.91 2.65 0.00 -0.36 0.18 119.26 122.69 2nnn h ALA 42 Ca 0.30 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2nnn h ALA 42 Cb 0.08 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2nnn h ALA 42 CO -0.14 -0.19 0.57 0.00 0.00 0.00 0.00 179.25 179.49 2nnn h ALA 43 N 1.27 1.16 -0.08 0.00 0.00 -1.11 -0.06 119.26 120.44 2nnn h ALA 43 Ca 0.20 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2nnn h ALA 43 Cb 0.16 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2nnn h ALA 43 CO -0.18 0.59 -0.06 1.25 0.00 0.00 0.00 179.25 180.85 2nnn h LEU 44 N 1.25 0.20 -0.64 0.00 5.85 -1.02 -0.21 115.31 120.73 2nnn h LEU 44 Ca 0.33 -0.45 0.08 0.00 0.84 0.00 0.00 57.88 58.68 2nnn h LEU 44 Cb -0.09 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 40.82 2nnn h LEU 44 CO -0.07 0.61 0.30 0.58 -0.34 0.00 0.00 178.44 179.53 2nnn h VAL 45 N -0.21 0.86 -0.34 1.05 2.07 -0.52 -1.77 116.25 117.38 2nnn h VAL 45 Ca 0.02 -0.18 -0.10 0.00 0.82 0.00 0.00 66.70 67.26 2nnn h VAL 45 Cb 0.55 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2nnn h VAL 45 CO 0.02 0.10 -0.16 -0.09 0.02 0.00 0.00 177.57 177.45 2nnn h ARG 46 N 0.54 0.72 -0.60 1.57 9.65 -0.70 -2.32 114.38 123.24 2nnn h ARG 46 Ca 0.31 -0.31 0.03 0.00 -1.10 0.00 0.00 59.98 58.91 2nnn h ARG 46 Cb 0.31 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.83 2nnn h ARG 46 CO -0.25 0.91 0.40 -0.07 2.80 0.00 0.00 179.97 183.76 2nnn h LEU 47 N 0.50 0.62 -1.53 3.80 3.38 -0.90 0.23 115.31 121.39 2nnn h LEU 47 Ca 0.08 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2nnn h LEU 47 Cb 0.70 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2nnn h LEU 47 CO 0.05 0.43 -0.24 1.23 0.09 0.00 0.00 178.44 180.00 2nnn h GLY 48 N 0.72 0.00 1.38 0.83 0.00 -1.00 -1.18 103.07 103.81 2nnn h GLY 48 Ca 0.24 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.30 2nnn h GLY 48 CO -0.06 0.00 -1.43 0.83 0.00 0.00 0.00 176.54 175.88 2nnn h GLU 49 N 0.00 0.07 0.00 4.80 5.08 -0.60 -3.39 114.58 120.55 2nnn h GLU 49 Ca -0.00 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2nnn h GLU 49 Cb 0.45 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2nnn h GLU 49 CO 0.03 0.84 -0.84 0.25 -1.00 0.00 0.00 179.01 178.29 2nnn n THR 50 N -3.26 0.00 -4.71 1.13 -2.24 -0.08 -5.10 114.28 100.01 2nnn n THR 50 Ca -0.11 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 2nnn n THR 50 Cb 1.01 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 70.06 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 1.40 0.28 3.71 3.38 0.00 -0.45 -4.80 105.19 108.71 2nnn n GLY 51 Ca 0.01 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 2nnn n GLY 51 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2nnn n PRO 52 N 0.00 2.33 -3.71 1.61 -0.02 -1.26 -4.80 135.00 129.16 2nnn n PRO 52 Ca 0.00 0.83 -0.13 0.00 -2.02 0.00 0.00 63.50 62.18 2nnn n PRO 52 Cb 0.00 -2.53 -0.09 0.00 -0.02 0.00 0.00 33.50 30.86 2nnn n PRO 52 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2nnn s PRO 54 N 0.28 4.06 0.28 0.00 0.02 -1.26 -0.62 135.00 137.76 2nnn s PRO 54 Ca -0.00 2.58 0.01 0.00 0.02 0.00 0.00 61.00 63.61 2nnn s PRO 54 Cb -0.03 -2.94 0.53 0.00 0.02 0.00 0.00 34.50 32.08 2nnn s PRO 54 CO 0.00 -0.58 1.85 0.37 -0.33 0.00 0.00 177.00 178.31 2nnn h GLN 55 N 2.93 1.00 -0.22 5.54 4.15 -1.94 0.29 115.11 126.86 2nnn h GLN 55 Ca -0.51 -0.06 -0.20 0.00 0.77 0.00 0.00 58.65 58.65 2nnn h GLN 55 Cb 1.24 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.71 2nnn h GLN 55 CO 0.64 0.66 -0.64 -0.91 -1.93 0.00 0.00 178.83 176.65 2nnn h ASN 56 N 1.03 0.89 -0.85 -0.69 4.21 -1.95 -0.48 115.58 117.75 2nnn h ASN 56 Ca 0.48 -0.52 0.02 0.00 1.21 0.00 0.00 56.30 57.49 2nnn h ASN 56 Cb 0.43 -0.26 -0.04 0.00 -1.12 0.00 0.00 38.32 37.32 2nnn h ASN 56 CO -0.24 1.31 0.56 -0.61 -1.29 0.00 0.00 177.43 177.16 2nnn h GLN 57 N 0.57 1.10 -0.63 0.81 5.75 -1.76 -1.06 115.11 119.89 2nnn h GLN 57 Ca -0.01 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 58.36 2nnn h GLN 57 Cb 1.25 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 29.52 2nnn h GLN 57 CO 0.13 0.73 0.16 1.25 -2.65 0.00 0.00 178.83 178.45 2nnn h LEU 58 N 1.13 0.92 -0.29 -2.39 5.85 -0.67 -1.17 115.31 118.71 2nnn h LEU 58 Ca 0.32 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.89 2nnn h LEU 58 Cb -0.09 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.66 2nnn h LEU 58 CO -0.08 0.89 0.09 1.23 -0.34 0.00 0.00 178.44 180.23 2nnn h GLY 59 N 1.04 0.35 1.67 3.75 0.00 -0.54 -1.76 103.07 107.58 2nnn h GLY 59 Ca 0.20 -0.05 -0.07 0.00 0.00 0.00 0.00 47.33 47.41 2nnn h GLY 59 CO -0.00 0.02 -0.17 3.21 0.00 0.00 0.00 176.54 179.60 2nnn h ARG 60 N 0.22 0.39 0.00 4.80 3.08 -0.89 -0.44 114.38 121.55 2nnn h ARG 60 Ca 0.13 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2nnn h ARG 60 Cb 0.10 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2nnn h ARG 60 CO -0.14 0.56 0.00 -0.07 -1.07 0.00 0.00 179.97 179.26 2nnn h LEU 61 N 0.36 0.00 -3.12 3.04 3.38 -1.05 -3.07 115.31 114.86 2nnn h LEU 61 Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2nnn h LEU 61 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2nnn h LEU 61 CO 0.03 0.00 -0.05 0.35 0.09 0.00 0.00 178.44 178.87 2nnn n THR 62 N -2.53 2.11 -3.02 0.22 -2.24 -0.68 -5.08 114.28 103.06 2nnn n THR 62 Ca 0.04 -2.26 -0.01 0.00 -2.27 0.00 0.00 64.05 59.56 2nnn n THR 62 Cb 0.42 -0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 68.39 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 -1.07 -2.04 -2.57 6.98 0.00 -0.22 -4.99 120.51 116.60 2nnn n ALA 63 Ca 0.20 0.36 -0.26 0.00 0.00 0.00 0.00 53.44 53.73 2nnn n ALA 63 Cb 0.76 -1.08 -0.11 0.00 0.00 0.00 0.00 19.45 19.02 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 -0.69 3.71 0.23 0.00 1.47 -1.26 -5.00 116.67 115.12 2nnn s ASP 65 Ca -0.04 -1.28 -0.15 0.00 1.18 0.00 0.00 52.55 52.26 2nnn s ASP 65 Cb 0.00 -0.35 0.27 0.00 -0.34 0.00 0.00 42.92 42.50 2nnn s ASP 65 CO 0.20 -0.33 1.57 0.00 0.68 0.00 0.00 175.17 177.29 2nnn h ALA 66 N 1.93 0.29 -0.21 2.11 0.00 -1.95 0.11 119.26 121.54 2nnn h ALA 66 Ca -0.43 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2nnn h ALA 66 Cb 1.24 0.80 -0.01 0.00 0.00 0.00 0.00 17.79 19.82 2nnn h ALA 66 CO 0.75 -0.54 0.08 0.00 0.00 0.00 0.00 179.25 179.54 2nnn h ALA 67 N 1.49 0.27 -0.34 0.00 0.00 -2.01 -2.05 119.26 116.62 2nnn h ALA 67 Ca 0.35 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2nnn h ALA 67 Cb 0.60 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2nnn h ALA 67 CO -0.87 -0.12 0.20 1.15 0.00 0.00 0.00 179.25 179.61 2nnn h THR 68 N 0.18 1.13 -0.24 0.00 2.02 -1.75 -2.31 112.91 111.93 2nnn h THR 68 Ca 0.07 -0.31 -0.09 0.00 0.77 0.00 0.00 66.41 66.84 2nnn h THR 68 Cb 0.20 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 2nnn h THR 68 CO -0.00 0.13 -0.25 -0.29 0.37 0.00 0.00 175.52 175.48 2nnn h ILE 69 N 0.44 1.26 -0.35 3.11 6.09 -1.01 -2.61 117.51 124.45 2nnn h ILE 69 Ca 0.12 -1.24 0.05 0.00 -1.37 0.00 0.00 64.86 62.42 2nnn h ILE 69 Cb 0.03 1.35 -0.04 0.00 0.47 0.00 0.00 36.82 38.63 2nnn h ILE 69 CO -0.02 0.39 0.09 0.50 -3.07 0.00 0.00 178.15 176.04 2nnn h LYS 70 N 0.40 0.21 0.05 2.19 3.64 -1.17 -0.73 116.57 121.16 2nnn h LYS 70 Ca 0.06 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 2nnn h LYS 70 Cb 0.65 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.37 2nnn h LYS 70 CO 0.05 0.14 -0.42 0.78 -2.27 0.00 0.00 179.45 177.73 2nnn h GLY 71 N 0.22 -0.81 1.75 5.01 0.00 -1.07 0.30 103.07 108.45 2nnn h GLY 71 Ca 0.16 0.51 -0.15 0.00 0.00 0.00 0.00 47.33 47.86 2nnn h GLY 71 CO -0.20 -0.26 -0.59 -0.39 0.00 0.00 0.00 176.54 175.10 2nnn h VAL 72 N -0.61 1.38 -0.66 4.60 -1.51 -1.31 -0.86 116.25 117.29 2nnn h VAL 72 Ca 0.03 -1.95 -0.02 0.00 -1.23 0.00 0.00 66.70 63.53 2nnn h VAL 72 Cb 0.66 1.98 -0.03 0.00 -2.13 0.00 0.00 31.29 31.77 2nnn h VAL 72 CO -0.28 0.58 0.33 0.58 -1.23 0.00 0.00 177.57 177.54 2nnn h VAL 73 N 0.20 1.22 -0.44 7.19 2.07 -1.04 0.94 116.25 126.38 2nnn h VAL 73 Ca -0.00 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 2nnn h VAL 73 Cb 1.10 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 2nnn h VAL 73 CO 0.09 0.25 0.26 -0.33 0.02 0.00 0.00 177.57 177.86 2nnn h GLU 74 N 0.90 0.61 -0.62 1.57 5.08 -0.50 0.77 114.58 122.40 2nnn h GLU 74 Ca 0.23 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2nnn h GLU 74 Cb 0.10 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 2nnn h GLU 74 CO -0.03 0.46 0.40 0.00 -1.00 0.00 0.00 179.01 178.84 2nnn h ARG 75 N 0.58 0.77 -0.77 2.33 -0.00 -0.92 -1.00 114.38 115.37 2nnn h ARG 75 Ca 0.16 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.98 59.57 2nnn h ARG 75 Cb 0.02 -0.17 -0.04 0.00 0.00 0.00 0.00 29.97 29.78 2nnn h ARG 75 CO -0.03 0.51 0.39 -0.07 0.00 0.00 0.00 179.97 180.78 2nnn h LEU 76 N 0.80 0.98 -0.46 3.04 4.07 -0.44 -2.00 115.31 121.31 2nnn h LEU 76 Ca 0.24 -0.10 -0.06 0.00 0.08 0.00 0.00 57.88 58.04 2nnn h LEU 76 Cb -0.04 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.43 2nnn h LEU 76 CO -0.07 0.81 0.04 -0.78 -1.08 0.00 0.00 178.44 177.36 2nnn h ASP 77 N 1.09 0.76 0.03 -0.43 3.58 -0.57 0.08 116.42 120.95 2nnn h ASP 77 Ca 0.27 -0.28 -0.00 0.00 0.42 0.00 0.00 57.03 57.43 2nnn h ASP 77 Cb 0.07 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 40.92 2nnn h ASP 77 CO -0.04 0.85 -0.02 0.50 -2.88 0.00 0.00 179.24 177.65 2nnn h LYS 78 N 0.64 0.00 -0.00 0.28 3.64 -0.76 -0.35 116.57 120.02 2nnn h LYS 78 Ca 0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2nnn h LYS 78 Cb 0.44 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2nnn h LYS 78 CO 0.02 0.02 -0.29 0.54 -2.27 0.00 0.00 179.45 177.47 2nnn n ARG 79 N -4.32 0.07 -0.87 1.90 1.74 -0.79 -4.96 116.66 109.42 2nnn n ARG 79 Ca -0.03 -0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 2nnn n ARG 79 Cb 0.11 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 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 1.48 0.60 0.01 -0.13 0.00 -0.14 -5.00 105.19 102.01 2nnn n GLY 80 Ca 0.07 -0.77 0.10 0.00 0.00 0.00 0.00 46.02 45.42 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 0.30 -4.35 0.99 4.77 -0.02 -4.40 117.00 114.29 2nnn n LEU 81 Ca 0.00 -0.15 -0.22 0.00 -0.03 0.00 0.00 56.01 55.61 2nnn n LEU 81 Cb 0.07 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.05 2nnn n LEU 81 CO 0.00 0.08 -0.48 0.27 -1.33 0.00 0.00 177.39 175.92 2nnn s ILE 82 N -3.32 1.89 0.09 -0.08 -5.25 -1.25 -1.42 121.20 111.86 2nnn s ILE 82 Ca -0.03 -1.97 0.08 0.00 -0.99 0.00 0.00 60.65 57.74 2nnn s ILE 82 Cb 0.14 -1.90 -0.03 0.00 2.95 0.00 0.00 42.46 43.62 2nnn s ILE 82 CO 0.88 -0.32 -0.20 0.00 -1.79 0.00 0.00 174.94 173.51 2nnn s GLN 83 N -2.87 1.11 -0.02 0.37 -2.07 0.13 -4.58 119.66 111.73 2nnn s GLN 83 Ca 0.17 -1.10 0.04 0.00 -1.82 0.00 0.00 55.36 52.65 2nnn s GLN 83 Cb -0.06 -1.32 -0.03 0.00 -1.09 0.00 0.00 33.01 30.51 2nnn s GLN 83 CO 0.07 0.31 -0.11 1.03 -1.32 0.00 0.00 175.29 175.27 2nnn s ARG 84 N -1.77 2.49 0.00 9.60 0.52 -1.26 -1.33 118.95 127.20 2nnn s ARG 84 Ca 0.05 -0.73 -0.17 0.00 -0.52 0.00 0.00 55.73 54.36 2nnn s ARG 84 Cb -0.10 -2.42 0.03 0.00 0.52 0.00 0.00 34.95 32.98 2nnn s ARG 84 CO 0.04 0.61 0.37 -1.54 0.02 0.00 0.00 175.30 174.79 2nnn s SER 85 N -1.11 -0.25 0.27 0.23 1.04 -0.59 -4.96 113.70 108.33 2nnn s SER 85 Ca 0.14 0.10 -0.31 0.00 0.48 0.00 0.00 55.95 56.37 2nnn s SER 85 Cb -0.11 0.36 -0.12 0.00 0.10 0.00 0.00 66.02 66.25 2nnn s SER 85 CO 0.04 -0.53 1.54 0.00 0.98 0.00 0.00 173.24 175.28 2nnn n ALA 86 N 0.99 2.09 -2.17 5.32 0.00 -1.26 -0.17 120.51 125.31 2nnn n ALA 86 Ca -0.20 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.20 2nnn n ALA 86 Cb 0.57 -2.41 -0.03 0.00 0.00 0.00 0.00 19.45 17.59 2nnn n ALA 86 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2nnn s ASP 87 N 0.48 6.79 0.50 0.00 -1.08 -0.32 -4.73 116.67 118.32 2nnn s ASP 87 Ca 0.66 2.10 0.15 0.00 -0.52 0.00 0.00 52.55 54.95 2nnn s ASP 87 Cb -0.55 -2.55 1.20 0.00 -1.46 0.00 0.00 42.92 39.56 2nnn s ASP 87 CO 0.48 -0.80 2.11 -0.65 0.52 0.00 0.00 175.17 176.83 2nnn h PRO 88 N 8.47 0.02 0.00 4.34 0.11 -1.91 -3.04 132.00 139.99 2nnn h PRO 88 Ca -0.37 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2nnn h PRO 88 Cb 1.17 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2nnn h PRO 88 CO 0.93 0.05 -0.87 -0.25 -0.21 0.00 0.00 178.00 177.66 2nnn n ASP 89 N -4.49 0.82 -3.31 -2.05 8.00 -1.26 -4.67 116.55 109.59 2nnn n ASP 89 Ca -0.03 -0.73 -0.09 0.00 0.71 0.00 0.00 54.79 54.64 2nnn n ASP 89 Cb 0.12 0.79 -0.06 0.00 -0.02 0.00 0.00 41.12 41.94 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 -3.06 0.47 0.47 -2.24 -1.08 -1.16 -5.05 116.67 105.03 2nnn s ASP 90 Ca 0.08 -0.40 0.32 0.00 -0.52 0.00 0.00 52.55 52.04 2nnn s ASP 90 Cb 0.16 1.07 1.64 0.00 -1.46 0.00 0.00 42.92 44.33 2nnn s ASP 90 CO 0.82 -0.36 1.97 1.23 0.52 0.00 0.00 175.17 179.35 2nnn h GLY 91 N 8.17 0.00 2.00 2.66 0.00 -1.81 -2.47 103.07 111.62 2nnn h GLY 91 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2nnn h GLY 91 CO 0.27 0.00 0.00 3.21 0.00 0.00 0.00 176.54 180.02 2nnn h ARG 92 N 0.00 0.00 -6.09 4.80 3.08 -1.97 -3.43 114.38 110.78 2nnn h ARG 92 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 2nnn h ARG 92 Cb 0.10 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.05 2nnn h ARG 92 CO 0.00 0.00 -0.62 -0.98 -1.07 0.00 0.00 179.97 177.30 2nnn s ARG 93 N -3.53 2.14 0.06 0.04 1.70 -0.93 -5.04 118.95 113.39 2nnn s ARG 93 Ca 0.03 -1.65 0.03 0.00 -0.47 0.00 0.00 55.73 53.67 2nnn s ARG 93 Cb 0.09 -2.01 -0.04 0.00 -0.57 0.00 0.00 34.95 32.42 2nnn s ARG 93 CO 0.52 0.20 0.04 -0.51 -1.08 0.00 0.00 175.30 174.47 2nnn s LEU 94 N -3.71 3.65 -0.16 -1.89 1.02 -1.26 -1.17 118.68 115.15 2nnn s LEU 94 Ca 0.34 -0.05 -0.04 0.00 0.02 0.00 0.00 54.13 54.40 2nnn s LEU 94 Cb -0.02 -2.28 -0.03 0.00 0.02 0.00 0.00 46.19 43.88 2nnn s LEU 94 CO 0.20 0.20 -0.02 -0.76 0.02 0.00 0.00 176.35 175.99 2nnn s LEU 95 N -2.14 3.36 -0.06 1.79 1.02 0.76 -4.26 118.68 119.16 2nnn s LEU 95 Ca 0.26 -0.09 -0.15 0.00 0.02 0.00 0.00 54.13 54.17 2nnn s LEU 95 Cb -0.12 -1.82 -0.05 0.00 0.02 0.00 0.00 46.19 44.22 2nnn s LEU 95 CO 0.18 0.17 0.39 -0.69 0.02 0.00 0.00 176.35 176.41 2nnn s VAL 96 N 0.36 5.14 0.02 -1.59 1.01 0.21 -1.54 120.40 124.01 2nnn s VAL 96 Ca -0.03 0.77 -0.05 0.00 0.00 0.00 0.00 61.98 62.67 2nnn s VAL 96 Cb -0.14 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 2nnn s VAL 96 CO 0.02 0.50 0.09 -0.55 0.00 0.00 0.00 175.10 175.16 2nnn s SER 97 N -0.47 0.14 0.22 3.32 0.15 -0.44 -0.75 113.70 115.88 2nnn s SER 97 Ca 0.22 -0.42 -0.30 0.00 0.70 0.00 0.00 55.95 56.16 2nnn s SER 97 Cb -0.15 0.20 -0.10 0.00 -1.71 0.00 0.00 66.02 64.25 2nnn s SER 97 CO 0.10 -0.42 1.42 -0.76 1.20 0.00 0.00 173.24 174.78 2nnn s LEU 98 N -1.75 4.39 0.59 3.45 1.02 -1.26 0.19 118.68 125.31 2nnn s LEU 98 Ca -0.10 2.59 -0.10 0.00 0.02 0.00 0.00 54.13 56.53 2nnn s LEU 98 Cb -0.05 -3.62 -0.04 0.00 0.02 0.00 0.00 46.19 42.51 2nnn s LEU 98 CO -0.02 -0.67 0.98 -0.94 0.02 0.00 0.00 176.35 175.72 2nnn s SER 99 N 0.45 6.23 0.32 2.29 1.04 -0.50 -4.59 113.70 118.94 2nnn s SER 99 Ca 0.60 1.31 0.09 0.00 0.48 0.00 0.00 55.95 58.43 2nnn s SER 99 Cb -0.41 -2.42 0.96 0.00 0.10 0.00 0.00 66.02 64.26 2nnn s SER 99 CO 0.40 -0.81 1.62 -0.65 0.98 0.00 0.00 173.24 174.78 2nnn h PRO 100 N -0.21 0.14 0.00 4.02 0.11 -1.90 0.32 132.00 134.49 2nnn h PRO 100 Ca -0.45 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 2nnn h PRO 100 Cb 1.19 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2nnn h PRO 100 CO 0.62 0.09 -0.39 0.00 -0.21 0.00 0.00 178.00 178.11 2nnn h ALA 101 N 1.89 0.94 -0.04 -0.75 0.00 -1.88 -2.28 119.26 117.15 2nnn h ALA 101 Ca 0.67 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 55.09 2nnn h ALA 101 Cb 1.54 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.27 2nnn h ALA 101 CO -0.73 0.49 -0.52 0.78 0.00 0.00 0.00 179.25 179.26 2nnn h GLY 102 N 2.26 0.47 1.26 0.00 0.00 -0.52 -2.02 103.07 104.52 2nnn h GLY 102 Ca -0.00 -0.75 -0.00 0.00 0.00 0.00 0.00 47.33 46.58 2nnn h GLY 102 CO 0.05 0.66 0.44 -0.09 0.00 0.00 0.00 176.54 177.61 2nnn h ARG 103 N -0.07 0.98 -0.22 4.80 9.65 -0.91 -1.20 114.38 127.41 2nnn h ARG 103 Ca -0.05 -0.08 -0.15 0.00 -1.10 0.00 0.00 59.98 58.59 2nnn h ARG 103 Cb 1.21 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 29.58 2nnn h ARG 103 CO 0.10 0.69 -0.45 0.00 2.80 0.00 0.00 179.97 183.11 2nnn h ALA 104 N 1.49 0.35 -0.93 2.80 0.00 -1.45 -1.90 119.26 119.63 2nnn h ALA 104 Ca 0.26 -0.47 0.04 0.00 0.00 0.00 0.00 54.91 54.74 2nnn h ALA 104 Cb -0.05 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 2nnn h ALA 104 CO -0.05 0.49 0.60 0.93 0.00 0.00 0.00 179.25 181.21 2nnn h GLU 105 N 0.40 1.11 0.44 0.00 5.08 -1.13 0.28 114.58 120.76 2nnn h GLU 105 Ca 0.01 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2nnn h GLU 105 Cb 1.05 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2nnn h GLU 105 CO 0.10 0.74 -0.21 1.25 -1.00 0.00 0.00 179.01 179.89 2nnn h LEU 106 N 1.15 -0.50 -1.04 1.33 5.85 -1.15 -1.14 115.31 119.80 2nnn h LEU 106 Ca 0.38 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 59.00 2nnn h LEU 106 Cb 0.04 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 2nnn h LEU 106 CO -0.13 -0.28 0.03 -0.08 -0.34 0.00 0.00 178.44 177.64 2nnn h GLU 107 N -0.69 0.71 0.00 1.25 4.57 -1.16 -2.15 114.58 117.12 2nnn h GLU 107 Ca -0.06 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 57.94 2nnn h GLU 107 Cb 0.50 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.00 2nnn h GLU 107 CO 0.10 0.71 -0.06 0.00 -1.18 0.00 0.00 179.01 178.57 2nnn h ALA 108 N 1.36 1.01 -0.00 2.92 0.00 -0.28 -3.28 119.26 120.99 2nnn h ALA 108 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2nnn h ALA 108 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2nnn h ALA 108 CO 0.01 0.08 -0.70 0.41 0.00 0.00 0.00 179.25 179.04 2nnn n GLY 109 N 0.07 -0.47 0.30 0.00 0.00 -0.45 -4.68 105.19 99.97 2nnn n GLY 109 Ca 0.00 -0.49 -0.05 0.00 0.00 0.00 0.00 46.02 45.49 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 0.43 0.90 -0.44 0.99 3.38 -1.50 -1.21 115.31 117.85 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 0.44 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2nnn h LEU 110 CO 0.00 0.69 0.25 0.00 0.09 0.00 0.00 178.44 179.47 2nnn h ALA 111 N 1.25 0.56 -0.33 1.53 0.00 -1.83 -0.25 119.26 120.19 2nnn h ALA 111 Ca 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2nnn h ALA 111 Cb -0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2nnn h ALA 111 CO -0.05 0.07 0.17 0.00 0.00 0.00 0.00 179.25 179.44 2nnn h ALA 112 N 1.10 0.43 -0.61 0.00 0.00 -1.78 -1.97 119.26 116.44 2nnn h ALA 112 Ca 0.16 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2nnn h ALA 112 Cb 0.03 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2nnn h ALA 112 CO -0.03 -0.03 0.40 0.00 0.00 0.00 0.00 179.25 179.60 2nnn h ALA 113 N 1.03 0.77 -0.67 0.00 0.00 -1.06 -0.13 119.26 119.19 2nnn h ALA 113 Ca 0.12 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.03 2nnn h ALA 113 Cb 0.09 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 2nnn h ALA 113 CO -0.02 0.21 0.39 0.00 0.00 0.00 0.00 179.25 179.83 2nnn h ARG 114 N 0.82 0.71 -0.71 0.00 3.08 -0.94 -2.12 114.38 115.22 2nnn h ARG 114 Ca 0.22 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.16 2nnn h ARG 114 Cb -0.09 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.77 2nnn h ARG 114 CO -0.05 0.47 0.18 1.49 -1.07 0.00 0.00 179.97 180.99 2nnn h GLU 115 N 0.74 1.14 -0.69 0.04 4.57 -0.87 -1.66 114.58 117.86 2nnn h GLU 115 Ca 0.29 -0.27 0.04 0.00 -1.18 0.00 0.00 59.36 58.24 2nnn h GLU 115 Cb 0.13 -0.15 -0.05 0.00 -0.16 0.00 0.00 28.75 28.52 2nnn h GLU 115 CO -0.15 1.00 0.42 0.82 -1.18 0.00 0.00 179.01 179.91 2nnn h ILE 116 N 1.08 1.06 -0.19 2.32 2.04 -0.82 -1.03 117.51 121.96 2nnn h ILE 116 Ca 0.22 -0.28 -0.08 0.00 1.00 0.00 0.00 64.86 65.73 2nnn h ILE 116 Cb 0.37 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 2nnn h ILE 116 CO 0.00 0.15 -0.24 0.78 0.00 0.00 0.00 178.15 178.84 2nnn h ASN 117 N 0.80 0.35 -0.36 1.72 2.35 -1.04 -0.80 115.58 118.59 2nnn h ASN 117 Ca 0.29 -0.11 -0.13 0.00 -0.55 0.00 0.00 56.30 55.80 2nnn h ASN 117 Cb 0.07 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 2nnn h ASN 117 CO -0.13 0.59 -0.30 0.03 -1.65 0.00 0.00 177.43 175.97 2nnn h ARG 118 N 0.32 0.84 -0.27 0.81 3.08 -0.85 -2.74 114.38 115.57 2nnn h ARG 118 Ca 0.05 -0.42 -0.01 0.00 0.07 0.00 0.00 59.98 59.66 2nnn h ARG 118 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 2nnn h ARG 118 CO 0.04 1.06 0.11 1.96 -1.07 0.00 0.00 179.97 182.07 2nnn h GLN 119 N 0.64 0.40 -0.87 0.04 4.20 -1.00 0.54 115.11 119.06 2nnn h GLN 119 Ca 0.07 -0.07 0.17 0.00 0.06 0.00 0.00 58.65 58.87 2nnn h GLN 119 Cb 0.88 -0.06 -0.10 0.00 0.30 0.00 0.00 27.48 28.49 2nnn h GLN 119 CO 0.08 0.42 0.44 0.00 -0.67 0.00 0.00 178.83 179.10 2nnn h ALA 120 N 0.95 1.34 -0.01 3.87 0.00 -1.12 -1.86 119.26 122.44 2nnn h ALA 120 Ca 0.09 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2nnn h ALA 120 Cb 0.17 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2nnn h ALA 120 CO -0.01 -0.15 -0.31 1.28 0.00 0.00 0.00 179.25 180.07 2nnn n LEU 121 N -4.91 1.42 0.05 0.00 4.77 -1.04 -4.50 117.00 112.81 2nnn n LEU 121 Ca 0.19 -0.45 0.13 0.00 -0.03 0.00 0.00 56.01 55.85 2nnn n LEU 121 Cb 0.50 -0.07 0.61 0.00 -2.33 0.00 0.00 43.42 42.12 2nnn n LEU 121 CO 0.19 0.26 1.15 0.00 -1.33 0.00 0.00 177.39 177.66 2nnn h ALA 122 N 3.81 2.17 0.00 -1.18 0.00 -0.01 0.15 119.26 124.20 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 0.60 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2nnn h ALA 122 CO 0.00 -0.26 0.00 -2.30 0.00 0.00 0.00 179.25 176.69 2nnn n PRO 123 N -4.46 0.04 -4.81 0.00 -0.02 -1.26 -4.67 135.00 119.83 2nnn n PRO 123 Ca 0.06 0.51 -0.32 0.00 -2.02 0.00 0.00 63.50 61.72 2nnn n PRO 123 Cb 0.35 -1.63 -0.13 0.00 -0.02 0.00 0.00 33.50 32.08 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 -3.44 2.77 0.84 2.45 1.02 0.52 -5.13 118.68 117.72 2nnn s LEU 124 Ca 0.00 -0.22 -0.11 0.00 0.02 0.00 0.00 54.13 53.82 2nnn s LEU 124 Cb 0.03 -1.58 0.10 0.00 0.02 0.00 0.00 46.19 44.75 2nnn s LEU 124 CO 0.09 0.33 1.09 -0.94 0.02 0.00 0.00 176.35 176.94 2nnn s SER 125 N -0.91 4.02 0.30 2.29 1.04 -1.26 -4.76 113.70 114.42 2nnn s SER 125 Ca 0.13 1.45 0.04 0.00 0.48 0.00 0.00 55.95 58.05 2nnn s SER 125 Cb -0.11 -2.16 0.66 0.00 0.10 0.00 0.00 66.02 64.51 2nnn s SER 125 CO 0.02 -2.29 1.82 -0.07 0.98 0.00 0.00 173.24 173.70 2nnn h LEU 126 N -1.31 0.83 -0.18 2.42 3.38 -1.98 -0.21 115.31 118.27 2nnn h LEU 126 Ca -0.48 0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.39 2nnn h LEU 126 Cb 1.27 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2nnn h LEU 126 CO 0.56 0.40 -0.54 -0.61 0.09 0.00 0.00 178.44 178.33 2nnn h GLN 127 N 0.87 0.69 -0.75 1.13 4.15 -2.00 -2.93 115.11 116.27 2nnn h GLN 127 Ca 0.51 -0.50 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 2nnn h GLN 127 Cb 0.66 0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.40 2nnn h GLN 127 CO -0.29 1.12 0.47 0.93 -1.93 0.00 0.00 178.83 179.13 2nnn h GLU 128 N 0.38 1.01 -0.69 1.69 5.08 -1.64 -1.42 114.58 118.98 2nnn h GLU 128 Ca -0.02 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 2nnn h GLU 128 Cb 1.17 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 2nnn h GLU 128 CO 0.12 0.69 0.18 1.96 -1.00 0.00 0.00 179.01 180.96 2nnn h GLN 129 N 1.03 1.11 -0.64 2.33 4.20 -1.08 0.40 115.11 122.46 2nnn h GLN 129 Ca 0.27 -0.26 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 2nnn h GLN 129 Cb -0.07 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.54 2nnn h GLN 129 CO -0.05 0.97 0.21 1.49 -0.67 0.00 0.00 178.83 180.78 2nnn h GLU 130 N 1.04 0.99 -0.03 1.46 4.81 -1.25 -0.22 114.58 121.37 2nnn h GLU 130 Ca 0.22 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2nnn h GLU 130 Cb 0.36 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 2nnn h GLU 130 CO 0.00 0.86 0.02 1.15 -0.73 0.00 0.00 179.01 180.31 2nnn h THR 131 N 0.92 1.11 0.20 0.32 2.02 -1.04 -2.95 112.91 113.49 2nnn h THR 131 Ca 0.21 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 2nnn h THR 131 Cb 0.28 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 2nnn h THR 131 CO -0.01 0.09 -0.10 0.25 0.37 0.00 0.00 175.52 176.12 2nnn h LEU 132 N -0.08 -0.23 -0.62 2.58 5.85 -0.79 -2.42 115.31 119.60 2nnn h LEU 132 Ca 0.01 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.77 2nnn h LEU 132 Cb 0.13 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.16 2nnn h LEU 132 CO -0.00 -0.11 0.28 -0.09 -0.34 0.00 0.00 178.44 178.18 2nnn h ARG 133 N -0.34 0.49 -0.40 1.25 2.43 -1.09 0.89 114.38 117.61 2nnn h ARG 133 Ca -0.03 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 2nnn h ARG 133 Cb 0.26 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 2nnn h ARG 133 CO 0.05 0.32 -0.10 0.78 -1.51 0.00 0.00 179.97 179.51 2nnn h GLY 134 N 0.50 0.84 1.04 2.80 0.00 -1.51 -1.75 103.07 105.00 2nnn h GLY 134 Ca 0.30 -0.70 -0.08 0.00 0.00 0.00 0.00 47.33 46.86 2nnn h GLY 134 CO -0.26 0.64 0.03 1.41 0.00 0.00 0.00 176.54 178.36 2nnn h LEU 135 N 0.59 0.95 -0.96 3.11 4.07 -0.96 -3.03 115.31 119.08 2nnn h LEU 135 Ca 0.10 -0.29 -0.10 0.00 0.08 0.00 0.00 57.88 57.67 2nnn h LEU 135 Cb 0.63 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.10 2nnn h LEU 135 CO 0.04 1.00 -0.29 -0.07 -1.08 0.00 0.00 178.44 178.05 2nnn h LEU 136 N 0.86 0.42 -0.44 1.67 3.38 -0.84 -2.81 115.31 117.55 2nnn h LEU 136 Ca 0.16 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2nnn h LEU 136 Cb 0.50 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2nnn h LEU 136 CO 0.02 0.70 0.00 0.00 0.09 0.00 0.00 178.44 179.25 2nnn n ALA 137 N -2.48 1.36 1.08 1.53 0.00 -0.66 -1.49 120.51 119.84 2nnn n ALA 137 Ca -0.01 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.60 2nnn n ALA 137 Cb 0.42 -1.22 0.13 0.00 0.00 0.00 0.00 19.45 18.78 2nnn n ALA 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2nnn n ARG 138 N -1.81 1.46 -2.23 0.00 1.74 -1.06 -4.43 116.66 110.32 2nnn n ARG 138 Ca 0.01 -1.14 -0.27 0.00 -0.77 0.00 0.00 57.85 55.68 2nnn n ARG 138 Cb 0.11 -1.48 0.01 0.00 -1.02 0.00 0.00 32.46 30.09 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 0.23 5.12 0.00 0.55 4.77 -0.56 -5.13 117.00 121.98 2nnn n LEU 139 Ca 0.12 -4.99 0.00 0.00 -0.03 0.00 0.00 56.01 51.11 2nnn n LEU 139 Cb 0.47 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2nnn n LEU 139 CO 0.24 2.13 0.01 -0.38 -1.33 0.00 0.00 177.39 178.05