#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 0.76 0.00 6.15 5.85 -2.07 -3.17 115.31 122.82 2nnn h LEU 9 Ca 0.00 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2nnn h LEU 9 Cb 0.00 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.83 2nnn h LEU 9 CO 0.00 0.87 0.00 0.47 -0.34 0.00 0.00 178.44 179.44 2nnn n ASP 10 N -4.18 0.00 -0.40 1.25 9.92 -1.26 -1.55 116.55 120.33 2nnn n ASP 10 Ca 0.02 0.34 0.04 0.00 -0.53 0.00 0.00 54.79 54.66 2nnn n ASP 10 Cb 0.35 -0.41 0.11 0.00 -0.64 0.00 0.00 41.12 40.53 2nnn n ASP 10 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2nnn n ASP 11 N -1.41 2.66 -4.73 -2.24 8.00 -1.20 -4.86 116.55 112.77 2nnn n ASP 11 Ca 0.03 -2.18 -0.41 0.00 0.71 0.00 0.00 54.79 52.95 2nnn n ASP 11 Cb 0.10 -0.20 -0.04 0.00 -0.02 0.00 0.00 41.12 40.96 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 -1.31 4.65 0.27 -1.24 -1.52 -0.59 -4.86 119.66 115.06 2nnn s GLN 12 Ca 0.18 1.56 -0.01 0.00 -1.95 0.00 0.00 55.36 55.13 2nnn s GLN 12 Cb 0.11 -3.34 0.37 0.00 -0.22 0.00 0.00 33.01 29.93 2nnn s GLN 12 CO 0.09 0.15 1.79 0.97 -0.25 0.00 0.00 175.29 178.03 2nnn h ILE 13 N 3.93 1.23 0.16 1.08 6.09 -1.95 -1.94 117.51 126.12 2nnn h ILE 13 Ca -0.43 -0.92 0.02 0.00 -1.37 0.00 0.00 64.86 62.15 2nnn h ILE 13 Cb 1.21 0.81 -0.03 0.00 0.47 0.00 0.00 36.82 39.27 2nnn h ILE 13 CO 0.72 0.33 -0.31 1.23 -3.07 0.00 0.00 178.15 177.06 2nnn h GLY 14 N 0.97 -0.61 0.83 8.18 0.00 -1.96 0.19 103.07 110.66 2nnn h GLY 14 Ca 0.15 0.36 0.05 0.00 0.00 0.00 0.00 47.33 47.90 2nnn h GLY 14 CO 0.01 -0.25 0.64 -2.75 0.00 0.00 0.00 176.54 174.19 2nnn h PHE 15 N -0.56 1.18 -0.22 5.60 3.57 -1.83 0.13 116.94 124.82 2nnn h PHE 15 Ca 0.02 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 2nnn h PHE 15 Cb 0.57 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 2nnn h PHE 15 CO -0.26 0.64 0.03 0.82 -2.23 0.00 0.00 178.31 177.32 2nnn h ILE 16 N 1.18 1.23 -0.51 1.41 2.04 -1.13 -2.17 117.51 119.58 2nnn h ILE 16 Ca 0.41 -0.77 0.04 0.00 1.00 0.00 0.00 64.86 65.53 2nnn h ILE 16 Cb 0.10 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 2nnn h ILE 16 CO -0.15 0.24 0.27 -0.07 0.00 0.00 0.00 178.15 178.44 2nnn h LEU 17 N 0.17 0.39 -0.51 1.44 3.38 -0.22 -0.85 115.31 119.10 2nnn h LEU 17 Ca 0.07 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2nnn h LEU 17 Cb 0.33 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2nnn h LEU 17 CO 0.01 0.27 0.27 -0.09 0.09 0.00 0.00 178.44 178.99 2nnn h ARG 18 N 0.52 0.72 -0.26 1.13 2.43 -0.66 -0.51 114.38 117.75 2nnn h ARG 18 Ca 0.22 -0.09 -0.08 0.00 -0.81 0.00 0.00 59.98 59.21 2nnn h ARG 18 Cb 0.11 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2nnn h ARG 18 CO -0.14 0.58 -0.17 1.96 -1.51 0.00 0.00 179.97 180.69 2nnn h GLN 19 N 0.68 0.58 -0.59 0.20 4.20 -1.25 -0.26 115.11 118.67 2nnn h GLN 19 Ca 0.18 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 2nnn h GLN 19 Cb 0.07 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 2nnn h GLN 19 CO -0.03 0.85 0.30 0.00 -0.67 0.00 0.00 178.83 179.28 2nnn h ALA 20 N 0.72 1.42 -0.20 3.87 0.00 -1.11 0.13 119.26 124.09 2nnn h ALA 20 Ca 0.05 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2nnn h ALA 20 Cb 0.70 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2nnn h ALA 20 CO 0.05 0.47 -0.24 -0.97 0.00 0.00 0.00 179.25 178.56 2nnn h ASN 21 N 0.82 0.35 0.45 0.00 -0.00 -0.87 -1.79 115.58 114.54 2nnn h ASN 21 Ca 0.21 -0.11 -0.17 0.00 -0.00 0.00 0.00 56.30 56.23 2nnn h ASN 21 Cb 0.06 -0.10 -0.01 0.00 -0.00 0.00 0.00 38.32 38.27 2nnn h ASN 21 CO -0.03 0.60 -0.73 1.56 -0.00 0.00 0.00 177.43 178.82 2nnn h GLN 22 N 0.32 0.23 -0.33 6.67 4.20 0.22 -1.55 115.11 124.88 2nnn h GLN 22 Ca 0.05 -0.20 -0.10 0.00 0.06 0.00 0.00 58.65 58.46 2nnn h GLN 22 Cb 0.60 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 2nnn h GLN 22 CO 0.04 0.87 -0.20 -0.09 -0.67 0.00 0.00 178.83 178.78 2nnn h ARG 23 N 0.15 0.72 -0.33 1.46 2.43 -0.69 -2.17 114.38 115.95 2nnn h ARG 23 Ca -0.02 -0.33 -0.01 0.00 -0.81 0.00 0.00 59.98 58.80 2nnn h ARG 23 Cb 1.30 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.82 2nnn h ARG 23 CO 0.11 0.94 0.16 -0.92 -1.51 0.00 0.00 179.97 178.76 2nnn h TYR 24 N 0.49 0.47 -0.86 2.20 3.20 -1.25 -0.74 116.97 120.48 2nnn h TYR 24 Ca 0.07 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.99 2nnn h TYR 24 Cb 0.75 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.82 2nnn h TYR 24 CO 0.06 0.40 0.56 0.00 -1.64 0.00 0.00 178.16 177.54 2nnn h ALA 25 N 1.02 1.59 0.08 1.82 0.00 -1.22 0.12 119.26 122.68 2nnn h ALA 25 Ca 0.11 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2nnn h ALA 25 Cb 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2nnn h ALA 25 CO -0.02 0.27 -0.04 0.00 0.00 0.00 0.00 179.25 179.46 2nnn h ALA 26 N 1.54 -0.11 -0.38 0.00 0.00 -1.05 -2.05 119.26 117.22 2nnn h ALA 26 Ca 0.38 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.13 2nnn h ALA 26 Cb 0.27 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2nnn h ALA 26 CO -0.14 -0.36 0.17 -0.07 0.00 0.00 0.00 179.25 178.84 2nnn h LEU 27 N -0.50 0.22 -0.03 0.00 3.38 -0.74 -1.93 115.31 115.71 2nnn h LEU 27 Ca -0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2nnn h LEU 27 Cb 0.43 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2nnn h LEU 27 CO 0.02 0.17 0.00 0.15 0.09 0.00 0.00 178.44 178.87 2nnn h PHE 28 N 0.35 -0.00 -0.99 1.13 3.04 -0.80 -0.68 116.94 118.99 2nnn h PHE 28 Ca 0.17 0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.23 2nnn h PHE 28 Cb 0.10 0.00 -0.08 0.00 2.56 0.00 0.00 35.95 38.54 2nnn h PHE 28 CO -0.12 -0.00 0.63 0.00 -2.02 0.00 0.00 178.31 176.80 2nnn h ALA 29 N 1.02 1.52 0.00 2.41 0.00 -1.19 -0.94 119.26 122.09 2nnn h ALA 29 Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2nnn h ALA 29 Cb 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2nnn h ALA 29 CO -0.02 0.25 -0.00 -0.91 0.00 0.00 0.00 179.25 178.56 2nnn h ASN 30 N 1.01 0.00 0.00 0.00 4.21 -0.97 -3.39 115.58 116.44 2nnn h ASN 30 Ca 0.48 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.99 2nnn h ASN 30 Cb 0.44 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.64 2nnn h ASN 30 CO -0.24 0.00 -1.00 0.61 -1.29 0.00 0.00 177.43 175.51 2nnn n GLY 31 N 1.24 -0.02 0.14 2.83 0.00 -0.30 -4.76 105.19 104.33 2nnn n GLY 31 Ca 0.05 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 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 1.37 0.00 -0.61 6.09 -1.40 -3.44 117.51 119.52 2nnn h ILE 32 Ca 0.00 -2.70 0.00 0.00 -1.37 0.00 0.00 64.86 60.79 2nnn h ILE 32 Cb 0.14 2.80 0.00 0.00 0.47 0.00 0.00 36.82 40.23 2nnn h ILE 32 CO 0.00 0.80 0.00 0.61 -3.07 0.00 0.00 178.15 176.49 2nnn n GLY 33 N 1.43 2.62 0.07 8.18 0.00 -1.26 -4.74 105.19 111.48 2nnn n GLY 33 Ca -0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 0.77 0.53 0.00 1.61 0.23 -1.26 -4.95 115.26 112.18 2nnn n ASN 34 Ca 0.00 -0.32 0.00 0.00 -0.53 0.00 0.00 54.58 53.73 2nnn n ASN 34 Cb 0.00 0.06 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 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 1.43 0.78 3.81 4.83 0.00 -1.26 -5.05 105.19 109.74 2nnn n GLY 35 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 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 4.50 0.89 0.99 1.43 -1.26 -5.08 118.68 120.16 2nnn s LEU 36 Ca 0.00 1.25 -0.11 0.00 -1.03 0.00 0.00 54.13 54.24 2nnn s LEU 36 Cb 0.00 -2.95 0.13 0.00 0.03 0.00 0.00 46.19 43.39 2nnn s LEU 36 CO 0.00 0.25 1.09 0.42 0.23 0.00 0.00 176.35 178.35 2nnn s THR 37 N -1.16 2.69 0.46 5.49 -4.23 -1.26 -4.79 115.64 112.84 2nnn s THR 37 Ca 0.30 0.22 0.16 0.00 -1.18 0.00 0.00 61.69 61.20 2nnn s THR 37 Cb -0.19 -2.61 0.34 0.00 1.34 0.00 0.00 72.50 71.38 2nnn s THR 37 CO 0.19 -0.29 1.99 -0.65 -0.54 0.00 0.00 174.62 175.32 2nnn h PRO 38 N -1.58 0.29 0.01 3.99 0.11 -1.96 -1.52 132.00 131.34 2nnn h PRO 38 Ca -0.48 -0.02 -0.24 0.00 0.11 0.00 0.00 66.00 65.37 2nnn h PRO 38 Cb 1.27 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 2nnn h PRO 38 CO 0.51 0.19 -1.26 1.79 -0.21 0.00 0.00 178.00 179.03 2nnn h THR 39 N 0.30 1.40 -0.41 -1.15 1.35 -1.99 -1.97 112.91 110.44 2nnn h THR 39 Ca 0.26 -3.16 -0.09 0.00 -0.55 0.00 0.00 66.41 62.87 2nnn h THR 39 Cb 0.61 2.70 -0.02 0.00 -1.73 0.00 0.00 68.15 69.71 2nnn h THR 39 CO -0.06 0.80 -0.09 1.56 -0.25 0.00 0.00 175.52 177.48 2nnn h GLN 40 N 0.00 0.73 -0.32 4.72 4.20 -1.86 -1.92 115.11 120.67 2nnn h GLN 40 Ca -0.11 -0.23 -0.11 0.00 0.06 0.00 0.00 58.65 58.26 2nnn h GLN 40 Cb 1.86 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.57 2nnn h GLN 40 CO 0.11 0.80 -0.25 2.35 -0.67 0.00 0.00 178.83 181.18 2nnn h TRP 41 N 0.66 0.86 -0.77 2.96 2.91 -1.25 -2.53 115.95 118.80 2nnn h TRP 41 Ca 0.12 -0.24 -0.01 0.00 1.13 0.00 0.00 58.89 59.89 2nnn h TRP 41 Cb 0.55 -0.19 -0.04 0.00 -0.51 0.00 0.00 29.16 28.97 2nnn h TRP 41 CO 0.03 0.98 0.45 0.00 -1.03 0.00 0.00 178.44 178.87 2nnn h ALA 42 N 0.74 0.98 -0.38 2.65 0.00 -1.24 0.17 119.26 122.19 2nnn h ALA 42 Ca 0.06 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2nnn h ALA 42 Cb 0.81 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2nnn h ALA 42 CO 0.07 0.47 0.06 0.00 0.00 0.00 0.00 179.25 179.84 2nnn h ALA 43 N 1.24 0.51 -0.45 0.00 0.00 -1.37 0.59 119.26 119.77 2nnn h ALA 43 Ca 0.27 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2nnn h ALA 43 Cb -0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2nnn h ALA 43 CO -0.05 0.22 0.26 1.25 0.00 0.00 0.00 179.25 180.93 2nnn h LEU 44 N 0.48 0.41 0.15 0.00 5.85 -1.02 -0.37 115.31 120.81 2nnn h LEU 44 Ca 0.12 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2nnn h LEU 44 Cb 0.37 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.33 2nnn h LEU 44 CO 0.01 0.29 -0.07 0.58 -0.34 0.00 0.00 178.44 178.90 2nnn h VAL 45 N 0.52 0.86 -0.60 1.05 2.07 -0.57 -2.30 116.25 117.28 2nnn h VAL 45 Ca 0.18 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.74 2nnn h VAL 45 Cb 0.04 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 2nnn h VAL 45 CO -0.10 0.01 0.29 -0.09 0.02 0.00 0.00 177.57 177.70 2nnn h ARG 46 N -0.22 0.52 -0.11 1.57 9.65 -0.65 -1.62 114.38 123.52 2nnn h ARG 46 Ca -0.02 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.80 2nnn h ARG 46 Cb 0.17 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.63 2nnn h ARG 46 CO 0.03 0.34 -0.07 -0.07 2.80 0.00 0.00 179.97 183.01 2nnn h LEU 47 N 0.54 0.14 -1.45 3.80 3.38 -0.97 -0.92 115.31 119.82 2nnn h LEU 47 Ca 0.28 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 2nnn h LEU 47 Cb 0.24 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2nnn h LEU 47 CO -0.22 0.24 0.22 1.23 0.09 0.00 0.00 178.44 180.00 2nnn h GLY 48 N 0.50 0.63 1.49 0.83 0.00 -0.71 -1.70 103.07 104.12 2nnn h GLY 48 Ca 0.03 -0.27 -0.22 0.00 0.00 0.00 0.00 47.33 46.87 2nnn h GLY 48 CO 0.01 0.26 -1.24 1.05 0.00 0.00 0.00 176.54 176.62 2nnn h GLU 49 N 0.60 0.00 0.00 4.80 4.11 -0.91 -3.39 114.58 119.78 2nnn h GLU 49 Ca 0.15 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.50 2nnn h GLU 49 Cb 0.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2nnn h GLU 49 CO -0.02 0.65 -2.08 0.25 0.07 0.00 0.00 179.01 177.87 2nnn n THR 50 N -3.16 0.30 -4.63 -1.06 -2.24 -0.70 -5.10 114.28 97.70 2nnn n THR 50 Ca -0.07 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 2nnn n THR 50 Cb 0.94 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 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 1.37 0.11 3.68 3.38 0.00 -0.64 -4.80 105.19 108.28 2nnn n GLY 51 Ca -0.10 -0.98 -0.45 0.00 0.00 0.00 0.00 46.02 44.49 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 2.35 -3.78 1.61 -0.02 -1.26 -4.80 135.00 129.10 2nnn n PRO 52 Ca 0.00 0.85 -0.13 0.00 -2.02 0.00 0.00 63.50 62.20 2nnn n PRO 52 Cb 0.00 -2.65 -0.13 0.00 -0.02 0.00 0.00 33.50 30.70 2nnn n PRO 52 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2nnn n PRO 54 N 3.55 1.97 -0.21 0.00 -0.02 -1.26 0.06 135.00 139.08 2nnn n PRO 54 Ca -0.19 0.70 0.02 0.00 -2.02 0.00 0.00 63.50 62.02 2nnn n PRO 54 Cb 0.56 -2.36 0.13 0.00 -0.02 0.00 0.00 33.50 31.80 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 4.38 0.28 -0.06 -0.52 4.15 -1.91 -0.09 115.11 121.33 2nnn h GLN 55 Ca -0.45 -0.02 -0.13 0.00 0.77 0.00 0.00 58.65 58.82 2nnn h GLN 55 Cb 1.28 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.89 2nnn h GLN 55 CO 0.77 0.18 -0.57 -0.91 -1.93 0.00 0.00 178.83 176.38 2nnn h ASN 56 N 0.28 0.22 -0.68 -0.69 2.35 -1.90 -2.40 115.58 112.77 2nnn h ASN 56 Ca 0.34 -0.12 -0.07 0.00 -0.55 0.00 0.00 56.30 55.91 2nnn h ASN 56 Cb 0.52 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.80 2nnn h ASN 56 CO -0.42 0.74 0.17 -0.61 -1.65 0.00 0.00 177.43 175.65 2nnn h GLN 57 N 0.15 1.09 -0.91 0.81 4.15 -1.67 -1.45 115.11 117.28 2nnn h GLN 57 Ca -0.00 -0.26 0.03 0.00 0.77 0.00 0.00 58.65 59.19 2nnn h GLN 57 Cb 1.04 -0.14 -0.05 0.00 0.21 0.00 0.00 27.48 28.54 2nnn h GLN 57 CO 0.09 0.97 0.60 1.25 -1.93 0.00 0.00 178.83 179.80 2nnn h LEU 58 N 1.02 0.99 0.13 -2.39 5.85 -0.80 -1.22 115.31 118.89 2nnn h LEU 58 Ca 0.21 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2nnn h LEU 58 Cb 0.37 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2nnn h LEU 58 CO 0.00 0.68 -0.11 1.23 -0.34 0.00 0.00 178.44 179.91 2nnn h GLY 59 N 1.15 -0.23 2.00 3.75 0.00 -1.06 -2.36 103.07 106.32 2nnn h GLY 59 Ca 0.36 0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.79 2nnn h GLY 59 CO -0.10 -0.11 -0.06 3.21 0.00 0.00 0.00 176.54 179.47 2nnn h ARG 60 N -0.25 0.00 0.00 4.80 3.08 -0.77 -0.79 114.38 120.46 2nnn h ARG 60 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2nnn h ARG 60 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2nnn h ARG 60 CO -0.02 0.06 -0.35 1.28 -1.07 0.00 0.00 179.97 179.88 2nnn n LEU 61 N -3.51 0.38 -0.87 3.04 4.77 -0.50 -4.09 117.00 116.21 2nnn n LEU 61 Ca -0.02 0.18 0.05 0.00 -0.03 0.00 0.00 56.01 56.19 2nnn n LEU 61 Cb 0.19 -0.32 0.10 0.00 -2.33 0.00 0.00 43.42 41.06 2nnn n LEU 61 CO 0.27 0.06 0.26 0.35 -1.33 0.00 0.00 177.39 177.00 2nnn n THR 62 N -1.57 1.03 -3.01 -5.08 -2.24 -0.39 -5.08 114.28 97.93 2nnn n THR 62 Ca 0.06 -1.83 -0.09 0.00 -2.27 0.00 0.00 64.05 59.92 2nnn n THR 62 Cb 0.35 0.34 0.01 0.00 -2.10 0.00 0.00 70.33 68.92 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 -0.39 -2.78 -2.69 6.98 0.00 -0.67 -4.99 120.51 115.97 2nnn n ALA 63 Ca 0.11 0.49 -0.20 0.00 0.00 0.00 0.00 53.44 53.84 2nnn n ALA 63 Cb 0.86 -1.69 -0.02 0.00 0.00 0.00 0.00 19.45 18.60 2nnn n ALA 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2nnn s ASP 65 N -1.65 5.94 0.26 0.00 1.01 -1.26 -5.03 116.67 115.94 2nnn s ASP 65 Ca 0.12 -0.15 -0.02 0.00 0.71 0.00 0.00 52.55 53.21 2nnn s ASP 65 Cb -0.02 -1.44 0.45 0.00 1.01 0.00 0.00 42.92 42.92 2nnn s ASP 65 CO 0.59 -0.25 1.82 0.00 0.21 0.00 0.00 175.17 177.54 2nnn h ALA 66 N 1.11 1.29 -0.03 5.23 0.00 -1.95 0.20 119.26 125.11 2nnn h ALA 66 Ca -0.48 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 2nnn h ALA 66 Cb 1.24 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2nnn h ALA 66 CO 0.57 0.14 -0.23 0.00 0.00 0.00 0.00 179.25 179.73 2nnn h ALA 67 N 1.48 0.07 -0.53 0.00 0.00 -2.00 -1.61 119.26 116.67 2nnn h ALA 67 Ca 0.43 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2nnn h ALA 67 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2nnn h ALA 67 CO -0.26 0.08 0.33 1.15 0.00 0.00 0.00 179.25 180.55 2nnn h THR 68 N -0.39 1.08 -0.25 0.00 2.02 -1.97 -0.30 112.91 113.11 2nnn h THR 68 Ca -0.02 -0.23 -0.12 0.00 0.77 0.00 0.00 66.41 66.81 2nnn h THR 68 Cb 0.93 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 2nnn h THR 68 CO 0.05 0.12 -0.36 -0.29 0.37 0.00 0.00 175.52 175.41 2nnn h ILE 69 N 0.66 1.29 -0.74 3.11 6.09 -0.68 -2.77 117.51 124.48 2nnn h ILE 69 Ca 0.21 -1.48 0.05 0.00 -1.37 0.00 0.00 64.86 62.26 2nnn h ILE 69 Cb -0.02 1.49 -0.05 0.00 0.47 0.00 0.00 36.82 38.71 2nnn h ILE 69 CO -0.08 0.47 0.44 0.50 -3.07 0.00 0.00 178.15 176.42 2nnn h LYS 70 N 0.45 0.81 -0.19 2.19 3.64 -0.77 -0.18 116.57 122.52 2nnn h LYS 70 Ca 0.05 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2nnn h LYS 70 Cb 0.83 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 2nnn h LYS 70 CO 0.07 0.53 -0.02 0.78 -2.27 0.00 0.00 179.45 178.54 2nnn h GLY 71 N 0.83 0.16 1.30 5.01 0.00 -0.79 -0.58 103.07 109.00 2nnn h GLY 71 Ca 0.32 0.04 -0.20 0.00 0.00 0.00 0.00 47.33 47.49 2nnn h GLY 71 CO -0.16 -0.05 -0.68 -0.39 0.00 0.00 0.00 176.54 175.26 2nnn h VAL 72 N 0.04 1.30 -0.76 4.60 -1.51 -1.27 -2.29 116.25 116.36 2nnn h VAL 72 Ca 0.09 -1.92 -0.05 0.00 -1.23 0.00 0.00 66.70 63.59 2nnn h VAL 72 Cb 0.12 1.89 -0.03 0.00 -2.13 0.00 0.00 31.29 31.14 2nnn h VAL 72 CO -0.17 0.61 0.29 0.58 -1.23 0.00 0.00 177.57 177.64 2nnn h VAL 73 N 0.51 1.26 -0.30 7.19 2.07 -0.94 0.45 116.25 126.49 2nnn h VAL 73 Ca -0.02 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 2nnn h VAL 73 Cb 1.29 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2nnn h VAL 73 CO 0.14 0.34 0.17 -0.08 0.02 0.00 0.00 177.57 178.16 2nnn h GLU 74 N 1.11 0.41 0.00 1.57 4.81 -1.05 -1.22 114.58 120.21 2nnn h GLU 74 Ca 0.25 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.35 2nnn h GLU 74 Cb 0.24 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2nnn h GLU 74 CO -0.02 0.33 -0.41 0.00 -0.73 0.00 0.00 179.01 178.19 2nnn h ARG 75 N 0.38 0.00 -0.22 1.92 -0.00 -1.07 -1.18 114.38 114.20 2nnn h ARG 75 Ca 0.11 0.00 -0.12 0.00 -0.50 0.00 0.00 59.98 59.46 2nnn h ARG 75 Cb 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 29.99 2nnn h ARG 75 CO -0.02 0.41 -0.38 -0.07 0.00 0.00 0.00 179.97 179.91 2nnn h LEU 76 N 0.00 0.52 -0.18 3.04 4.07 -0.63 -3.06 115.31 119.07 2nnn h LEU 76 Ca -0.00 -0.22 -0.09 0.00 0.08 0.00 0.00 57.88 57.65 2nnn h LEU 76 Cb 0.80 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 42.39 2nnn h LEU 76 CO 0.05 0.86 -0.23 -0.78 -1.08 0.00 0.00 178.44 177.26 2nnn h ASP 77 N 0.42 0.51 0.00 -0.43 3.58 -0.76 -0.62 116.42 119.12 2nnn h ASP 77 Ca 0.04 -0.50 0.00 0.00 0.42 0.00 0.00 57.03 56.99 2nnn h ASP 77 Cb 0.85 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.76 2nnn h ASP 77 CO 0.07 0.91 0.00 1.17 -2.88 0.00 0.00 179.24 178.52 2nnn n LYS 78 N -4.43 0.08 0.00 0.28 4.81 -0.49 -0.98 118.16 117.43 2nnn n LYS 78 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 2nnn n LYS 78 Cb 0.42 -1.42 0.00 0.00 0.02 0.00 0.00 35.03 34.05 2nnn n LYS 78 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2nnn n ARG 79 N -0.92 -0.38 -1.27 1.64 1.74 -0.93 -5.02 116.66 111.51 2nnn n ARG 79 Ca 0.02 -0.29 -0.09 0.00 -0.77 0.00 0.00 57.85 56.71 2nnn n ARG 79 Cb 0.01 -0.79 -0.04 0.00 -1.02 0.00 0.00 32.46 30.62 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 0.03 1.04 0.03 -0.13 0.00 -0.16 -4.91 105.19 101.09 2nnn n GLY 80 Ca 0.00 -0.64 0.11 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.01 0.62 -4.28 0.99 4.77 -0.31 -4.11 117.00 113.67 2nnn n LEU 81 Ca -0.09 -0.04 -0.15 0.00 -0.03 0.00 0.00 56.01 55.70 2nnn n LEU 81 Cb 0.29 -0.10 -0.10 0.00 -2.33 0.00 0.00 43.42 41.19 2nnn n LEU 81 CO 0.13 0.05 -0.41 0.27 -1.33 0.00 0.00 177.39 176.11 2nnn s ILE 82 N -3.19 1.26 -0.01 -0.08 -5.25 -1.24 -1.10 121.20 111.59 2nnn s ILE 82 Ca 0.04 -2.09 0.05 0.00 -0.99 0.00 0.00 60.65 57.66 2nnn s ILE 82 Cb 0.15 -1.94 -0.01 0.00 2.95 0.00 0.00 42.46 43.60 2nnn s ILE 82 CO 0.80 -0.67 -0.16 0.00 -1.79 0.00 0.00 174.94 173.13 2nnn s GLN 83 N -3.74 1.28 -0.13 0.37 -2.07 -0.05 -4.66 119.66 110.65 2nnn s GLN 83 Ca 0.19 -0.55 -0.04 0.00 -1.82 0.00 0.00 55.36 53.14 2nnn s GLN 83 Cb 0.02 -1.23 -0.03 0.00 -1.09 0.00 0.00 33.01 30.68 2nnn s GLN 83 CO 0.03 0.33 0.01 1.03 -1.32 0.00 0.00 175.29 175.37 2nnn s ARG 84 N -0.34 3.42 0.08 9.60 0.52 -1.26 -0.69 118.95 130.29 2nnn s ARG 84 Ca 0.05 -0.41 -0.13 0.00 -0.52 0.00 0.00 55.73 54.73 2nnn s ARG 84 Cb -0.06 -2.94 0.02 0.00 0.52 0.00 0.00 34.95 32.48 2nnn s ARG 84 CO -0.00 0.49 0.29 -1.54 0.02 0.00 0.00 175.30 174.56 2nnn s SER 85 N -0.28 -0.07 0.31 0.23 1.04 -0.29 -4.96 113.70 109.68 2nnn s SER 85 Ca 0.07 -0.38 -0.29 0.00 0.48 0.00 0.00 55.95 55.82 2nnn s SER 85 Cb -0.12 0.39 -0.11 0.00 0.10 0.00 0.00 66.02 66.28 2nnn s SER 85 CO 0.02 -0.72 1.44 0.00 0.98 0.00 0.00 173.24 174.96 2nnn s ALA 86 N -3.35 3.60 -0.24 5.32 0.00 -1.26 -0.11 121.76 125.71 2nnn s ALA 86 Ca 0.01 1.42 -0.29 0.00 0.00 0.00 0.00 51.96 53.10 2nnn s ALA 86 Cb 0.02 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 2nnn s ALA 86 CO -0.08 -0.85 1.56 0.34 0.00 0.00 0.00 175.76 176.73 2nnn s ASP 87 N 0.02 6.42 0.55 0.00 -1.08 -0.26 -4.75 116.67 117.57 2nnn s ASP 87 Ca 0.55 1.53 0.31 0.00 -0.52 0.00 0.00 52.55 54.43 2nnn s ASP 87 Cb -0.44 -2.53 1.59 0.00 -1.46 0.00 0.00 42.92 40.08 2nnn s ASP 87 CO 0.52 -1.24 2.10 1.55 0.52 0.00 0.00 175.17 178.63 2nnn h PRO 88 N 10.51 0.00 0.00 4.34 0.13 -1.92 -2.48 132.00 142.59 2nnn h PRO 88 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2nnn h PRO 88 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2nnn h PRO 88 CO 1.01 0.08 -1.22 -0.25 -0.23 0.00 0.00 178.00 177.39 2nnn n ASP 89 N -3.44 0.59 -3.30 1.44 8.00 -1.26 -4.69 116.55 113.89 2nnn n ASP 89 Ca -0.02 0.11 -0.10 0.00 0.71 0.00 0.00 54.79 55.50 2nnn n ASP 89 Cb 0.23 0.88 -0.05 0.00 -0.02 0.00 0.00 41.12 42.15 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 -4.76 0.19 0.57 -2.24 -1.08 -0.97 -5.04 116.67 103.35 2nnn s ASP 90 Ca -0.01 -1.09 0.37 0.00 -0.52 0.00 0.00 52.55 51.30 2nnn s ASP 90 Cb 0.12 1.09 2.02 0.00 -1.46 0.00 0.00 42.92 44.69 2nnn s ASP 90 CO 0.82 -0.25 2.13 1.23 0.52 0.00 0.00 175.17 179.62 2nnn h GLY 91 N 7.27 0.00 2.00 2.66 0.00 -1.74 0.12 103.07 113.38 2nnn h GLY 91 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2nnn h GLY 91 CO 0.18 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.59 2nnn n ARG 92 N -2.83 0.11 -4.28 4.80 0.63 -1.26 -4.73 116.66 109.09 2nnn n ARG 92 Ca -0.02 0.48 -0.25 0.00 -0.92 0.00 0.00 57.85 57.14 2nnn n ARG 92 Cb 0.09 -1.77 -0.08 0.00 0.45 0.00 0.00 32.46 31.14 2nnn n ARG 92 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2nnn s ARG 93 N -3.29 2.19 -0.06 -0.14 0.52 0.43 -5.04 118.95 113.56 2nnn s ARG 93 Ca 0.02 -1.30 0.00 0.00 -0.52 0.00 0.00 55.73 53.93 2nnn s ARG 93 Cb 0.06 -2.19 -0.03 0.00 0.52 0.00 0.00 34.95 33.31 2nnn s ARG 93 CO 0.23 0.41 -0.03 -1.17 0.02 0.00 0.00 175.30 174.76 2nnn s LEU 94 N -3.13 3.38 -0.11 2.53 2.96 -1.26 -1.11 118.68 121.94 2nnn s LEU 94 Ca 0.27 0.03 0.03 0.00 -0.22 0.00 0.00 54.13 54.24 2nnn s LEU 94 Cb -0.08 -1.81 -0.00 0.00 0.50 0.00 0.00 46.19 44.80 2nnn s LEU 94 CO 0.17 0.35 -0.21 -0.22 -1.32 0.00 0.00 176.35 175.11 2nnn s LEU 95 N -1.03 2.24 -0.17 -0.68 2.96 0.84 -3.20 118.68 119.63 2nnn s LEU 95 Ca 0.14 -0.50 -0.08 0.00 -0.22 0.00 0.00 54.13 53.47 2nnn s LEU 95 Cb -0.11 -1.46 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 2nnn s LEU 95 CO 0.04 0.16 0.10 -0.69 -1.32 0.00 0.00 176.35 174.64 2nnn s VAL 96 N 0.33 5.15 0.25 1.68 1.01 0.11 -1.14 120.40 127.79 2nnn s VAL 96 Ca -0.17 0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.91 2nnn s VAL 96 Cb -0.17 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 2nnn s VAL 96 CO 0.08 0.49 0.11 -0.94 0.00 0.00 0.00 175.10 174.84 2nnn s SER 97 N 0.05 0.96 0.19 3.32 1.04 0.14 -1.55 113.70 117.85 2nnn s SER 97 Ca 0.08 -1.39 -0.30 0.00 0.48 0.00 0.00 55.95 54.81 2nnn s SER 97 Cb -0.12 0.22 -0.08 0.00 0.10 0.00 0.00 66.02 66.15 2nnn s SER 97 CO -0.00 -0.76 1.01 -0.76 0.98 0.00 0.00 173.24 173.70 2nnn s LEU 98 N -3.28 4.55 0.92 2.42 1.02 -1.26 -0.88 118.68 122.18 2nnn s LEU 98 Ca 0.38 1.98 -0.11 0.00 0.02 0.00 0.00 54.13 56.40 2nnn s LEU 98 Cb 0.08 -3.60 0.15 0.00 0.02 0.00 0.00 46.19 42.83 2nnn s LEU 98 CO 0.13 -0.04 1.11 -0.44 0.02 0.00 0.00 176.35 177.13 2nnn s SER 99 N -0.53 3.01 0.30 2.29 0.01 -0.26 -4.69 113.70 113.84 2nnn s SER 99 Ca 0.45 1.90 0.04 0.00 1.31 0.00 0.00 55.95 59.65 2nnn s SER 99 Cb -0.27 -2.45 0.65 0.00 0.21 0.00 0.00 66.02 64.16 2nnn s SER 99 CO 0.33 -2.99 1.83 -0.65 0.41 0.00 0.00 173.24 172.17 2nnn h PRO 100 N -1.79 0.86 -0.26 12.44 0.11 -1.89 0.29 132.00 141.75 2nnn h PRO 100 Ca -0.47 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 2nnn h PRO 100 Cb 1.27 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2nnn h PRO 100 CO 0.47 0.57 0.09 0.00 -0.21 0.00 0.00 178.00 178.92 2nnn h ALA 101 N 1.57 0.34 -0.48 -0.75 0.00 -1.90 -1.14 119.26 116.91 2nnn h ALA 101 Ca 0.50 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 2nnn h ALA 101 Cb 0.62 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2nnn h ALA 101 CO -0.27 -0.05 0.24 0.78 0.00 0.00 0.00 179.25 179.95 2nnn h GLY 102 N 0.27 0.73 0.82 0.00 0.00 -1.59 0.16 103.07 103.45 2nnn h GLY 102 Ca 0.09 -0.36 0.07 0.00 0.00 0.00 0.00 47.33 47.13 2nnn h GLY 102 CO -0.01 0.34 0.60 -0.09 0.00 0.00 0.00 176.54 177.39 2nnn h ARG 103 N 0.63 1.03 -0.15 4.80 9.65 -0.37 -1.04 114.38 128.93 2nnn h ARG 103 Ca 0.16 -0.06 -0.22 0.00 -1.10 0.00 0.00 59.98 58.77 2nnn h ARG 103 Cb 0.11 -0.23 0.01 0.00 -1.39 0.00 0.00 29.97 28.46 2nnn h ARG 103 CO -0.02 0.68 -0.75 0.00 2.80 0.00 0.00 179.97 182.68 2nnn h ALA 104 N 1.50 0.30 -0.82 2.80 0.00 -0.83 -2.88 119.26 119.32 2nnn h ALA 104 Ca 0.40 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2nnn h ALA 104 Cb 0.20 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2nnn h ALA 104 CO -0.15 0.65 0.50 1.49 0.00 0.00 0.00 179.25 181.73 2nnn h GLU 105 N 0.50 1.11 0.48 0.00 4.57 -0.41 -1.39 114.58 119.44 2nnn h GLU 105 Ca -0.05 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.01 2nnn h GLU 105 Cb 1.38 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 2nnn h GLU 105 CO 0.16 0.78 -0.25 1.25 -1.18 0.00 0.00 179.01 179.76 2nnn h LEU 106 N 1.12 -0.62 -1.45 1.64 5.85 -1.24 -1.74 115.31 118.88 2nnn h LEU 106 Ca 0.29 0.03 0.02 0.00 0.84 0.00 0.00 57.88 59.06 2nnn h LEU 106 Cb -0.05 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 2nnn h LEU 106 CO -0.06 -0.42 0.39 -0.33 -0.34 0.00 0.00 178.44 177.68 2nnn h GLU 107 N -0.68 0.73 0.00 1.25 4.39 -1.42 -2.27 114.58 116.59 2nnn h GLU 107 Ca -0.06 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.50 2nnn h GLU 107 Cb 0.53 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2nnn h GLU 107 CO 0.09 0.48 -0.44 0.00 -1.16 0.00 0.00 179.01 177.98 2nnn h ALA 108 N 1.65 1.10 0.00 3.43 0.00 -1.14 -3.27 119.26 121.03 2nnn h ALA 108 Ca 0.22 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2nnn h ALA 108 Cb -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2nnn h ALA 108 CO -0.05 0.55 -0.84 0.41 0.00 0.00 0.00 179.25 179.31 2nnn n GLY 109 N 0.02 -1.22 0.28 0.00 0.00 -0.66 -4.47 105.19 99.14 2nnn n GLY 109 Ca -0.01 -0.40 -0.03 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 0.76 -0.77 0.99 3.38 -1.54 -0.48 115.31 117.65 2nnn h LEU 110 Ca 0.00 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2nnn h LEU 110 Cb 0.64 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 2nnn h LEU 110 CO 0.00 0.53 0.30 0.00 0.09 0.00 0.00 178.44 179.36 2nnn h ALA 111 N 1.30 1.00 -0.24 1.53 0.00 -1.82 -0.25 119.26 120.79 2nnn h ALA 111 Ca 0.28 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2nnn h ALA 111 Cb -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2nnn h ALA 111 CO -0.10 0.63 0.01 0.00 0.00 0.00 0.00 179.25 179.79 2nnn h ALA 112 N 1.16 0.32 -0.72 0.00 0.00 -1.69 -2.01 119.26 116.32 2nnn h ALA 112 Ca 0.26 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.01 2nnn h ALA 112 Cb 0.22 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2nnn h ALA 112 CO -0.02 0.04 0.43 0.00 0.00 0.00 0.00 179.25 179.70 2nnn h ALA 113 N 0.81 0.97 -0.45 0.00 0.00 -0.90 0.15 119.26 119.84 2nnn h ALA 113 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2nnn h ALA 113 Cb 0.39 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2nnn h ALA 113 CO 0.01 0.14 0.30 0.00 0.00 0.00 0.00 179.25 179.70 2nnn h ARG 114 N 0.80 0.59 -0.20 0.00 3.08 -1.03 -2.38 114.38 115.23 2nnn h ARG 114 Ca 0.31 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.32 2nnn h ARG 114 Cb 0.15 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 2nnn h ARG 114 CO -0.16 0.39 0.10 1.49 -1.07 0.00 0.00 179.97 180.72 2nnn h GLU 115 N 0.60 0.28 -0.83 0.04 4.57 -0.54 -0.02 114.58 118.69 2nnn h GLU 115 Ca 0.17 -0.04 0.18 0.00 -1.18 0.00 0.00 59.36 58.49 2nnn h GLU 115 Cb -0.06 -0.05 -0.11 0.00 -0.16 0.00 0.00 28.75 28.37 2nnn h GLU 115 CO -0.04 0.28 0.34 0.82 -1.18 0.00 0.00 179.01 179.22 2nnn h ILE 116 N 0.21 0.57 -0.12 2.32 2.04 -0.75 -1.44 117.51 120.34 2nnn h ILE 116 Ca 0.07 -0.15 -0.07 0.00 1.00 0.00 0.00 64.86 65.71 2nnn h ILE 116 Cb 0.08 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.27 2nnn h ILE 116 CO -0.01 0.08 -0.20 0.78 0.00 0.00 0.00 178.15 178.80 2nnn h ASN 117 N 0.42 0.39 0.60 1.72 2.35 -0.72 0.15 115.58 120.49 2nnn h ASN 117 Ca 0.48 -0.54 -0.04 0.00 -0.55 0.00 0.00 56.30 55.66 2nnn h ASN 117 Cb 0.82 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 2nnn h ASN 117 CO -0.47 0.85 -0.19 0.08 -1.65 0.00 0.00 177.43 176.05 2nnn h ARG 118 N -0.06 0.00 0.07 0.81 0.11 -0.97 -2.36 114.38 111.98 2nnn h ARG 118 Ca 0.01 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.82 2nnn h ARG 118 Cb 0.77 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.87 2nnn h ARG 118 CO 0.05 0.19 -1.13 0.37 0.10 0.00 0.00 179.97 179.55 2nnn h GLN 119 N 0.00 0.47 0.00 0.08 4.15 -1.14 -1.02 115.11 117.65 2nnn h GLN 119 Ca -0.00 -0.60 -0.07 0.00 0.77 0.00 0.00 58.65 58.75 2nnn h GLN 119 Cb 0.54 0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.42 2nnn h GLN 119 CO 0.03 1.24 -0.32 0.00 -1.93 0.00 0.00 178.83 177.85 2nnn h ALA 120 N 0.53 1.42 -0.32 3.38 0.00 -0.52 -3.12 119.26 120.62 2nnn h ALA 120 Ca -0.13 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2nnn h ALA 120 Cb 1.79 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.53 2nnn h ALA 120 CO 0.20 0.40 0.00 1.28 0.00 0.00 0.00 179.25 181.13 2nnn n LEU 121 N -4.08 3.35 -0.33 0.00 4.77 -0.90 -4.63 117.00 115.17 2nnn n LEU 121 Ca -0.02 -1.42 0.07 0.00 -0.03 0.00 0.00 56.01 54.61 2nnn n LEU 121 Cb 0.37 -0.20 0.23 0.00 -2.33 0.00 0.00 43.42 41.49 2nnn n LEU 121 CO 0.38 0.70 1.17 0.00 -1.33 0.00 0.00 177.39 178.31 2nnn h ALA 122 N 4.40 1.41 0.00 -1.18 0.00 -1.12 -1.71 119.26 121.07 2nnn h ALA 122 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2nnn h ALA 122 Cb 0.97 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2nnn h ALA 122 CO 0.00 0.08 0.00 -2.30 0.00 0.00 0.00 179.25 177.03 2nnn n PRO 123 N -4.73 0.08 -4.84 0.00 -0.02 -1.26 -4.66 135.00 119.56 2nnn n PRO 123 Ca 0.18 0.07 -0.27 0.00 -2.02 0.00 0.00 63.50 61.46 2nnn n PRO 123 Cb 0.39 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.22 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 -2.15 2.11 0.86 2.45 1.02 -0.64 -5.14 118.68 117.18 2nnn s LEU 124 Ca 0.04 -0.46 -0.11 0.00 0.02 0.00 0.00 54.13 53.62 2nnn s LEU 124 Cb 0.02 -1.04 0.11 0.00 0.02 0.00 0.00 46.19 45.29 2nnn s LEU 124 CO 0.04 0.21 1.10 -0.94 0.02 0.00 0.00 176.35 176.77 2nnn s SER 125 N -0.86 3.68 0.36 2.29 1.04 -1.26 -4.83 113.70 114.13 2nnn s SER 125 Ca 0.08 1.72 0.06 0.00 0.48 0.00 0.00 55.95 58.29 2nnn s SER 125 Cb -0.09 -2.37 0.70 0.00 0.10 0.00 0.00 66.02 64.36 2nnn s SER 125 CO 0.01 -2.54 1.92 -0.07 0.98 0.00 0.00 173.24 173.53 2nnn h LEU 126 N -1.48 0.41 -0.28 2.42 3.38 -1.98 -1.76 115.31 116.03 2nnn h LEU 126 Ca -0.47 -0.07 -0.20 0.00 0.09 0.00 0.00 57.88 57.24 2nnn h LEU 126 Cb 1.26 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 2nnn h LEU 126 CO 0.51 0.47 -0.88 1.56 0.09 0.00 0.00 178.44 180.19 2nnn h GLN 127 N 0.44 0.16 -0.15 1.13 4.20 -2.00 -2.84 115.11 116.05 2nnn h GLN 127 Ca 0.10 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 2nnn h GLN 127 Cb 0.27 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 2nnn h GLN 127 CO 0.01 0.94 -0.06 0.93 -0.67 0.00 0.00 178.83 179.98 2nnn h GLU 128 N 0.09 0.22 -0.04 1.46 5.08 -1.75 -1.86 114.58 117.78 2nnn h GLU 128 Ca -0.04 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.12 2nnn h GLU 128 Cb 1.52 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 2nnn h GLU 128 CO 0.13 0.29 -0.70 1.96 -1.00 0.00 0.00 179.01 179.69 2nnn h GLN 129 N 0.21 0.18 -0.41 2.33 4.20 -1.25 -0.78 115.11 119.59 2nnn h GLN 129 Ca 0.05 -0.15 -0.09 0.00 0.06 0.00 0.00 58.65 58.52 2nnn h GLN 129 Cb 0.24 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 2nnn h GLN 129 CO 0.01 0.81 -0.08 1.49 -0.67 0.00 0.00 178.83 180.39 2nnn h GLU 130 N 0.12 0.77 -0.23 1.46 4.57 -1.21 -1.58 114.58 118.49 2nnn h GLU 130 Ca -0.02 -0.29 -0.03 0.00 -1.18 0.00 0.00 59.36 57.85 2nnn h GLU 130 Cb 1.24 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.77 2nnn h GLU 130 CO 0.10 0.89 0.04 1.15 -1.18 0.00 0.00 179.01 180.01 2nnn h THR 131 N 0.59 1.23 -0.44 0.32 2.02 -1.27 -2.87 112.91 112.50 2nnn h THR 131 Ca 0.11 -0.77 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 2nnn h THR 131 Cb 0.60 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 2nnn h THR 131 CO 0.04 0.24 0.22 0.25 0.37 0.00 0.00 175.52 176.64 2nnn h LEU 132 N 0.19 0.56 -0.53 2.58 5.85 -1.13 -2.01 115.31 120.83 2nnn h LEU 132 Ca 0.07 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 2nnn h LEU 132 Cb 0.33 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 2nnn h LEU 132 CO 0.01 0.52 0.24 -0.09 -0.34 0.00 0.00 178.44 178.78 2nnn h ARG 133 N 0.56 0.77 -0.34 1.25 2.43 -1.28 0.27 114.38 118.05 2nnn h ARG 133 Ca 0.15 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2nnn h ARG 133 Cb 0.10 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2nnn h ARG 133 CO -0.02 0.65 0.18 0.78 -1.51 0.00 0.00 179.97 180.05 2nnn h GLY 134 N 0.71 0.51 0.86 2.80 0.00 -1.44 0.51 103.07 107.03 2nnn h GLY 134 Ca 0.18 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 2nnn h GLY 134 CO -0.02 0.23 0.03 1.41 0.00 0.00 0.00 176.54 178.19 2nnn h LEU 135 N 0.42 0.10 -1.04 3.11 4.07 -1.15 -3.09 115.31 117.74 2nnn h LEU 135 Ca 0.12 -0.16 -0.09 0.00 0.08 0.00 0.00 57.88 57.84 2nnn h LEU 135 Cb 0.07 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 2nnn h LEU 135 CO -0.02 0.23 -0.24 -0.07 -1.08 0.00 0.00 178.44 177.27 2nnn h LEU 136 N -0.04 0.40 -1.55 1.67 3.38 -0.41 -2.82 115.31 115.94 2nnn h LEU 136 Ca 0.02 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2nnn h LEU 136 Cb 0.16 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2nnn h LEU 136 CO -0.00 0.64 -0.03 0.00 0.09 0.00 0.00 178.44 179.14 2nnn h ALA 137 N 1.39 1.64 0.00 1.53 0.00 -0.86 -1.58 119.26 121.39 2nnn h ALA 137 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2nnn h ALA 137 Cb 0.61 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2nnn h ALA 137 CO 0.04 0.27 0.00 0.54 0.00 0.00 0.00 179.25 180.10 2nnn n ARG 138 N -4.36 0.96 -0.04 0.00 1.74 -1.06 -2.81 116.66 111.08 2nnn n ARG 138 Ca -0.00 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.10 2nnn n ARG 138 Cb 0.19 -1.48 0.05 0.00 -1.02 0.00 0.00 32.46 30.20 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 -0.98 1.95 0.00 0.55 4.77 -0.60 -5.12 117.00 117.56 2nnn n LEU 139 Ca 0.22 -1.47 0.00 0.00 -0.03 0.00 0.00 56.01 54.73 2nnn n LEU 139 Cb 0.10 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2nnn n LEU 139 CO 0.17 0.46 0.23 -0.38 -1.33 0.00 0.00 177.39 176.53