#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 0.48 -2.77 2.89 5.85 -2.07 -1.27 115.31 118.43 2nnn h LEU 9 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2nnn h LEU 9 Cb 0.00 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.95 2nnn h LEU 9 CO 0.00 0.28 0.00 0.44 -0.34 0.00 0.00 178.44 178.82 2nnn h ASP 10 N 0.53 0.00 -0.02 1.25 5.19 -2.05 -1.98 116.42 119.35 2nnn h ASP 10 Ca 0.33 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.74 2nnn h ASP 10 Cb 0.57 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.08 2nnn h ASP 10 CO -0.11 0.00 -0.24 0.47 -3.12 0.00 0.00 179.24 176.24 2nnn n ASP 11 N -2.99 2.23 -4.72 6.45 8.00 -0.48 -4.74 116.55 120.30 2nnn n ASP 11 Ca -0.03 -1.62 -0.42 0.00 0.71 0.00 0.00 54.79 53.44 2nnn n ASP 11 Cb 0.07 0.27 -0.03 0.00 -0.02 0.00 0.00 41.12 41.41 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 -2.01 4.43 0.22 -1.24 -1.52 -0.74 -4.97 119.66 113.82 2nnn s GLN 12 Ca 0.20 1.86 -0.09 0.00 -1.95 0.00 0.00 55.36 55.38 2nnn s GLN 12 Cb 0.16 -3.30 0.22 0.00 -0.22 0.00 0.00 33.01 29.87 2nnn s GLN 12 CO 0.40 -0.24 1.87 0.97 -0.25 0.00 0.00 175.29 178.03 2nnn h ILE 13 N 4.24 1.13 -0.94 1.08 6.09 -1.92 -1.08 117.51 126.11 2nnn h ILE 13 Ca -0.43 -0.33 -0.01 0.00 -1.37 0.00 0.00 64.86 62.73 2nnn h ILE 13 Cb 1.21 0.07 -0.05 0.00 0.47 0.00 0.00 36.82 38.52 2nnn h ILE 13 CO 0.80 0.18 0.56 1.23 -3.07 0.00 0.00 178.15 177.86 2nnn h GLY 14 N 0.97 1.36 0.75 8.18 0.00 -1.95 0.20 103.07 112.58 2nnn h GLY 14 Ca 0.31 -0.57 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 2nnn h GLY 14 CO -0.11 0.55 -0.06 -2.75 0.00 0.00 0.00 176.54 174.18 2nnn h PHE 15 N 1.30 0.34 -0.91 5.60 3.57 -1.79 -1.92 116.94 123.12 2nnn h PHE 15 Ca 0.34 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 2nnn h PHE 15 Cb -0.05 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 2nnn h PHE 15 CO 0.00 0.61 0.51 0.82 -2.23 0.00 0.00 178.31 178.03 2nnn h ILE 16 N -0.03 1.26 -0.52 1.41 2.04 -0.99 -1.90 117.51 118.77 2nnn h ILE 16 Ca 0.03 -0.61 -0.09 0.00 1.00 0.00 0.00 64.86 65.19 2nnn h ILE 16 Cb 0.51 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 2nnn h ILE 16 CO 0.02 0.28 -0.03 -0.07 0.00 0.00 0.00 178.15 178.35 2nnn h LEU 17 N 1.26 0.88 -0.56 1.44 3.38 -0.51 -1.59 115.31 119.61 2nnn h LEU 17 Ca 0.32 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 2nnn h LEU 17 Cb -0.00 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2nnn h LEU 17 CO -0.05 0.95 -0.06 -0.09 0.09 0.00 0.00 178.44 179.28 2nnn h ARG 18 N 0.83 1.03 -0.61 1.13 2.43 -1.05 -1.87 114.38 116.28 2nnn h ARG 18 Ca 0.15 -0.36 -0.09 0.00 -0.81 0.00 0.00 59.98 58.88 2nnn h ARG 18 Cb 0.53 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 2nnn h ARG 18 CO 0.03 1.05 0.04 1.96 -1.51 0.00 0.00 179.97 181.53 2nnn h GLN 19 N 0.92 1.04 -0.43 0.20 4.20 -1.16 0.15 115.11 120.04 2nnn h GLN 19 Ca 0.15 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 2nnn h GLN 19 Cb 0.62 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 2nnn h GLN 19 CO 0.04 1.01 0.23 0.00 -0.67 0.00 0.00 178.83 179.43 2nnn h ALA 20 N 1.00 0.55 -0.19 3.87 0.00 -1.24 -0.29 119.26 122.95 2nnn h ALA 20 Ca 0.18 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2nnn h ALA 20 Cb 0.51 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2nnn h ALA 20 CO 0.02 0.08 0.09 -0.97 0.00 0.00 0.00 179.25 178.47 2nnn h ASN 21 N 0.55 0.12 -0.79 0.00 -0.00 -0.98 -0.98 115.58 113.51 2nnn h ASN 21 Ca 0.15 0.01 -0.02 0.00 -0.00 0.00 0.00 56.30 56.44 2nnn h ASN 21 Cb 0.07 -0.01 -0.04 0.00 -0.00 0.00 0.00 38.32 38.34 2nnn h ASN 21 CO -0.02 0.10 0.41 1.56 -0.00 0.00 0.00 177.43 179.48 2nnn h GLN 22 N 0.19 1.12 -0.58 6.67 4.20 -0.52 0.49 115.11 126.68 2nnn h GLN 22 Ca 0.08 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 2nnn h GLN 22 Cb 0.03 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.57 2nnn h GLN 22 CO -0.06 0.85 0.26 -0.09 -0.67 0.00 0.00 178.83 179.11 2nnn h ARG 23 N 1.11 0.85 -0.72 1.46 9.65 -0.95 -1.72 114.38 124.05 2nnn h ARG 23 Ca 0.28 -0.14 -0.07 0.00 -1.10 0.00 0.00 59.98 58.95 2nnn h ARG 23 Cb 0.07 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.48 2nnn h ARG 23 CO -0.04 0.71 0.18 -0.92 2.80 0.00 0.00 179.97 182.70 2nnn h TYR 24 N 0.79 1.21 -0.42 2.20 3.20 -0.74 -2.46 116.97 120.75 2nnn h TYR 24 Ca 0.20 -0.14 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 2nnn h TYR 24 Cb 0.16 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 2nnn h TYR 24 CO 0.00 0.97 0.19 0.00 -1.64 0.00 0.00 178.16 177.68 2nnn h ALA 25 N 1.10 1.54 -0.26 1.82 0.00 -0.66 0.01 119.26 122.81 2nnn h ALA 25 Ca 0.23 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 2nnn h ALA 25 Cb 0.37 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2nnn h ALA 25 CO 0.00 0.37 -0.47 0.00 0.00 0.00 0.00 179.25 179.15 2nnn h ALA 26 N 1.62 0.41 -0.38 0.00 0.00 -1.00 -1.82 119.26 118.08 2nnn h ALA 26 Ca 0.15 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 2nnn h ALA 26 Cb 0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2nnn h ALA 26 CO -0.02 0.56 -0.15 -0.07 0.00 0.00 0.00 179.25 179.57 2nnn h LEU 27 N 0.52 0.80 0.56 0.00 3.38 -1.23 -2.85 115.31 116.48 2nnn h LEU 27 Ca 0.01 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 2nnn h LEU 27 Cb 1.07 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 2nnn h LEU 27 CO 0.11 1.01 -0.33 0.15 0.09 0.00 0.00 178.44 179.46 2nnn h PHE 28 N 0.58 -0.88 -0.16 1.13 3.57 -0.98 -0.30 116.94 119.90 2nnn h PHE 28 Ca 0.09 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.63 2nnn h PHE 28 Cb 0.69 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 2nnn h PHE 28 CO 0.06 -0.51 0.32 0.00 -2.23 0.00 0.00 178.31 175.94 2nnn h ALA 29 N -0.45 1.65 0.00 2.41 0.00 -1.35 -0.33 119.26 121.18 2nnn h ALA 29 Ca -0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2nnn h ALA 29 Cb 0.68 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2nnn h ALA 29 CO 0.07 -0.40 -1.78 -1.71 0.00 0.00 0.00 179.25 175.44 2nnn n ASN 30 N -3.35 0.22 -0.00 0.00 4.05 -0.88 -4.60 115.26 110.70 2nnn n ASN 30 Ca 0.02 0.09 0.05 0.00 0.45 0.00 0.00 54.58 55.18 2nnn n ASN 30 Cb 0.42 1.54 -0.07 0.00 1.23 0.00 0.00 39.78 42.89 2nnn n ASN 30 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2nnn n GLY 31 N 1.27 -0.38 0.28 8.20 0.00 -0.18 -4.75 105.19 109.64 2nnn n GLY 31 Ca -0.05 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 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 1.26 0.00 -0.61 6.09 -1.36 -3.44 117.51 119.45 2nnn h ILE 32 Ca 0.00 -1.11 0.00 0.00 -1.37 0.00 0.00 64.86 62.38 2nnn h ILE 32 Cb 0.41 0.87 0.00 0.00 0.47 0.00 0.00 36.82 38.58 2nnn h ILE 32 CO 0.00 0.40 0.00 0.61 -3.07 0.00 0.00 178.15 176.09 2nnn n GLY 33 N -0.41 1.84 0.40 8.18 0.00 -1.26 -4.82 105.19 109.12 2nnn n GLY 33 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 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 2.54 0.00 1.61 0.23 -1.26 -4.98 115.26 113.39 2nnn n ASN 34 Ca 0.00 -1.96 0.00 0.00 -0.53 0.00 0.00 54.58 52.09 2nnn n ASN 34 Cb 0.00 -0.14 0.00 0.00 -2.08 0.00 0.00 39.78 37.56 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 0.78 3.79 4.83 0.00 -1.26 -5.01 105.19 108.48 2nnn n GLY 35 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 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 4.46 0.66 0.99 1.43 -1.26 -5.08 118.68 119.88 2nnn s LEU 36 Ca 0.00 1.61 -0.12 0.00 -1.03 0.00 0.00 54.13 54.59 2nnn s LEU 36 Cb 0.00 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.67 2nnn s LEU 36 CO 0.00 0.10 1.05 0.42 0.23 0.00 0.00 176.35 178.15 2nnn s THR 37 N -1.37 4.07 0.49 5.49 -4.23 -1.26 -4.83 115.64 113.99 2nnn s THR 37 Ca 0.41 0.75 0.25 0.00 -1.18 0.00 0.00 61.69 61.92 2nnn s THR 37 Cb -0.20 -3.45 0.44 0.00 1.34 0.00 0.00 72.50 70.62 2nnn s THR 37 CO 0.24 -0.80 1.88 -0.65 -0.54 0.00 0.00 174.62 174.75 2nnn h PRO 38 N -0.36 0.16 0.16 3.99 0.11 -1.97 0.18 132.00 134.28 2nnn h PRO 38 Ca -0.45 -0.01 -0.34 0.00 0.11 0.00 0.00 66.00 65.32 2nnn h PRO 38 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2nnn h PRO 38 CO 0.58 0.11 -1.70 1.79 -0.21 0.00 0.00 178.00 178.56 2nnn h THR 39 N 0.17 0.98 -0.47 -1.15 1.35 -1.98 -1.51 112.91 110.30 2nnn h THR 39 Ca 0.44 -2.59 0.08 0.00 -0.55 0.00 0.00 66.41 63.79 2nnn h THR 39 Cb 1.46 2.74 -0.07 0.00 -1.73 0.00 0.00 68.15 70.56 2nnn h THR 39 CO -0.08 0.84 0.07 1.56 -0.25 0.00 0.00 175.52 177.66 2nnn h GLN 40 N 0.09 0.19 -0.83 4.72 4.20 -1.77 -0.70 115.11 121.02 2nnn h GLN 40 Ca -0.32 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.36 2nnn h GLN 40 Cb 2.07 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 29.77 2nnn h GLN 40 CO 0.17 0.13 0.45 2.35 -0.67 0.00 0.00 178.83 181.25 2nnn h TRP 41 N 0.20 1.15 -0.62 2.96 2.91 -1.05 -2.75 115.95 118.76 2nnn h TRP 41 Ca 0.24 -0.03 0.01 0.00 1.13 0.00 0.00 58.89 60.23 2nnn h TRP 41 Cb 0.32 -0.37 -0.03 0.00 -0.51 0.00 0.00 29.16 28.57 2nnn h TRP 41 CO -0.24 0.81 0.40 0.00 -1.03 0.00 0.00 178.44 178.38 2nnn h ALA 42 N 1.24 0.79 -0.83 2.65 0.00 -0.51 -0.43 119.26 122.17 2nnn h ALA 42 Ca 0.29 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 2nnn h ALA 42 Cb 0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 2nnn h ALA 42 CO -0.04 0.18 0.40 0.00 0.00 0.00 0.00 179.25 179.79 2nnn h ALA 43 N 1.24 1.07 -0.00 0.00 0.00 -1.08 -1.65 119.26 118.83 2nnn h ALA 43 Ca 0.23 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2nnn h ALA 43 Cb -0.06 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.40 2nnn h ALA 43 CO -0.07 0.62 0.00 1.25 0.00 0.00 0.00 179.25 181.06 2nnn h LEU 44 N 1.17 0.01 -0.17 0.00 5.85 -1.16 -2.00 115.31 119.01 2nnn h LEU 44 Ca 0.28 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.90 2nnn h LEU 44 Cb 0.11 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 2nnn h LEU 44 CO -0.04 0.16 -0.19 0.58 -0.34 0.00 0.00 178.44 178.61 2nnn h VAL 45 N -0.15 0.51 -0.98 1.05 2.07 -1.02 -1.84 116.25 115.88 2nnn h VAL 45 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 2nnn h VAL 45 Cb 0.15 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.37 2nnn h VAL 45 CO -0.00 0.00 0.64 -0.09 0.02 0.00 0.00 177.57 178.14 2nnn h ARG 46 N -0.22 1.17 -0.66 1.57 9.65 -1.29 -2.11 114.38 122.49 2nnn h ARG 46 Ca 0.11 -0.07 0.04 0.00 -1.10 0.00 0.00 59.98 58.96 2nnn h ARG 46 Cb 0.39 -0.26 -0.05 0.00 -1.39 0.00 0.00 29.97 28.65 2nnn h ARG 46 CO -0.30 0.77 0.39 -0.07 2.80 0.00 0.00 179.97 183.56 2nnn h LEU 47 N 1.20 0.60 -0.72 3.80 3.38 -1.01 0.22 115.31 122.79 2nnn h LEU 47 Ca 0.41 0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.54 2nnn h LEU 47 Cb 0.08 -0.11 -0.10 0.00 0.09 0.00 0.00 40.66 40.62 2nnn h LEU 47 CO -0.15 0.41 0.21 1.23 0.09 0.00 0.00 178.44 180.23 2nnn h GLY 48 N 0.74 1.03 0.81 0.83 0.00 -0.70 -0.76 103.07 105.02 2nnn h GLY 48 Ca 0.28 -0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.49 2nnn h GLY 48 CO -0.14 -0.16 -0.07 0.83 0.00 0.00 0.00 176.54 177.00 2nnn h GLU 49 N 0.32 0.41 0.03 4.80 5.08 -0.66 -3.37 114.58 121.20 2nnn h GLU 49 Ca 0.40 -0.17 -0.32 0.00 -1.00 0.00 0.00 59.36 58.28 2nnn h GLU 49 Cb 0.65 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 2nnn h GLU 49 CO -0.46 0.68 -1.84 0.25 -1.00 0.00 0.00 179.01 176.63 2nnn n THR 50 N -4.59 1.64 -3.25 1.13 -2.24 0.65 -5.10 114.28 102.52 2nnn n THR 50 Ca -0.05 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 2nnn n THR 50 Cb 0.30 -1.20 0.00 0.00 -2.10 0.00 0.00 70.33 67.32 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 1.70 -1.91 3.65 3.38 0.00 -0.31 -4.93 105.19 106.78 2nnn n GLY 51 Ca -0.23 -1.52 -0.47 0.00 0.00 0.00 0.00 46.02 43.81 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 1.90 -3.76 1.61 -0.02 -1.26 -4.81 135.00 128.65 2nnn n PRO 52 Ca 0.00 0.68 -0.13 0.00 -2.02 0.00 0.00 63.50 62.04 2nnn n PRO 52 Cb 0.00 -2.38 -0.11 0.00 -0.02 0.00 0.00 33.50 30.98 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 3.12 2.20 -0.25 0.00 -0.02 -1.26 0.52 135.00 139.31 2nnn n PRO 54 Ca -0.15 0.78 -0.10 0.00 -2.02 0.00 0.00 63.50 62.02 2nnn n PRO 54 Cb 0.57 -2.46 -0.06 0.00 -0.02 0.00 0.00 33.50 31.53 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 4.24 -0.20 -0.13 -0.52 4.15 -1.83 0.30 115.11 121.11 2nnn h GLN 55 Ca -0.46 0.01 -0.10 0.00 0.77 0.00 0.00 58.65 58.88 2nnn h GLN 55 Cb 1.26 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.99 2nnn h GLN 55 CO 0.76 -0.13 -0.35 -0.91 -1.93 0.00 0.00 178.83 176.27 2nnn h ASN 56 N -0.20 0.27 -0.71 -0.69 2.35 -1.91 -2.00 115.58 112.68 2nnn h ASN 56 Ca 0.16 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 2nnn h ASN 56 Cb 0.54 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.80 2nnn h ASN 56 CO -0.75 0.60 0.27 -0.61 -1.65 0.00 0.00 177.43 175.30 2nnn h GLN 57 N 0.23 1.09 -0.73 0.81 4.15 -1.80 -0.10 115.11 118.77 2nnn h GLN 57 Ca 0.03 -0.20 -0.06 0.00 0.77 0.00 0.00 58.65 59.19 2nnn h GLN 57 Cb 0.73 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 28.21 2nnn h GLN 57 CO 0.06 0.90 0.22 1.25 -1.93 0.00 0.00 178.83 179.33 2nnn h LEU 58 N 1.06 1.06 -0.33 -2.39 5.85 -0.26 -0.94 115.31 119.37 2nnn h LEU 58 Ca 0.24 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 2nnn h LEU 58 Cb 0.23 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2nnn h LEU 58 CO -0.02 0.99 0.18 1.23 -0.34 0.00 0.00 178.44 180.48 2nnn h GLY 59 N 1.11 0.49 2.00 3.75 0.00 -1.21 -2.43 103.07 106.78 2nnn h GLY 59 Ca 0.24 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2nnn h GLY 59 CO -0.01 0.21 0.00 3.21 0.00 0.00 0.00 176.54 179.95 2nnn h ARG 60 N 0.41 0.00 -0.01 4.80 3.08 -0.55 -0.72 114.38 121.39 2nnn h ARG 60 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2nnn h ARG 60 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2nnn h ARG 60 CO -0.02 0.00 -0.44 1.28 -1.07 0.00 0.00 179.97 179.72 2nnn n LEU 61 N -2.60 1.40 -0.78 3.04 4.77 -0.40 -4.32 117.00 118.10 2nnn n LEU 61 Ca -0.00 -0.47 0.03 0.00 -0.03 0.00 0.00 56.01 55.54 2nnn n LEU 61 Cb 0.16 -0.07 0.05 0.00 -2.33 0.00 0.00 43.42 41.23 2nnn n LEU 61 CO 0.19 0.27 0.24 0.35 -1.33 0.00 0.00 177.39 177.11 2nnn n THR 62 N -0.54 0.51 -2.87 -5.08 -2.24 -0.39 -5.07 114.28 98.61 2nnn n THR 62 Ca 0.10 -1.01 -0.00 0.00 -2.27 0.00 0.00 64.05 60.86 2nnn n THR 62 Cb 0.40 0.48 -0.00 0.00 -2.10 0.00 0.00 70.33 69.10 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 -0.16 -2.99 -2.85 6.98 0.00 -0.53 -4.99 120.51 115.97 2nnn n ALA 63 Ca 0.06 0.43 -0.22 0.00 0.00 0.00 0.00 53.44 53.72 2nnn n ALA 63 Cb 0.84 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.23 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 -1.36 5.67 0.17 0.00 1.11 -1.26 -5.03 116.67 115.98 2nnn s ASP 65 Ca -0.01 -0.19 -0.15 0.00 0.18 0.00 0.00 52.55 52.38 2nnn s ASP 65 Cb 0.00 -1.49 0.13 0.00 1.07 0.00 0.00 42.92 42.63 2nnn s ASP 65 CO 0.53 -0.05 1.72 0.00 1.18 0.00 0.00 175.17 178.55 2nnn h ALA 66 N 1.43 0.45 -0.27 5.23 0.00 -1.97 -0.07 119.26 124.06 2nnn h ALA 66 Ca -0.49 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 2nnn h ALA 66 Cb 1.24 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 2nnn h ALA 66 CO 0.61 -0.33 -0.06 0.00 0.00 0.00 0.00 179.25 179.46 2nnn h ALA 67 N 1.33 0.37 -0.61 0.00 0.00 -2.02 -1.89 119.26 116.44 2nnn h ALA 67 Ca 0.21 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2nnn h ALA 67 Cb 0.27 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2nnn h ALA 67 CO -0.29 0.18 0.12 1.15 0.00 0.00 0.00 179.25 180.41 2nnn h THR 68 N 0.27 1.26 -0.00 0.00 2.02 -1.97 -2.74 112.91 111.75 2nnn h THR 68 Ca 0.07 -0.97 -0.15 0.00 0.77 0.00 0.00 66.41 66.14 2nnn h THR 68 Cb 0.53 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 2nnn h THR 68 CO 0.03 0.36 -0.69 -0.29 0.37 0.00 0.00 175.52 175.30 2nnn h ILE 69 N 0.91 1.49 -0.39 3.11 -0.00 -1.03 -3.10 117.51 118.50 2nnn h ILE 69 Ca 0.19 -2.34 0.00 0.00 -0.00 0.00 0.00 64.86 62.71 2nnn h ILE 69 Cb 0.40 2.26 -0.02 0.00 -0.00 0.00 0.00 36.82 39.46 2nnn h ILE 69 CO 0.01 0.67 0.26 0.50 -0.00 0.00 0.00 178.15 179.58 2nnn h LYS 70 N 0.01 0.51 -0.20 2.19 3.64 -1.06 -2.26 116.57 119.40 2nnn h LYS 70 Ca -0.01 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.23 2nnn h LYS 70 Cb 1.22 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 2nnn h LYS 70 CO 0.09 0.34 -0.35 0.78 -2.27 0.00 0.00 179.45 178.03 2nnn h GLY 71 N 0.52 0.47 2.00 5.01 0.00 -1.47 -0.58 103.07 109.02 2nnn h GLY 71 Ca 0.14 -0.43 -0.13 0.00 0.00 0.00 0.00 47.33 46.91 2nnn h GLY 71 CO -0.03 0.39 -0.64 -0.39 0.00 0.00 0.00 176.54 175.87 2nnn h VAL 72 N 0.37 1.20 0.02 4.60 -1.51 -1.45 -1.20 116.25 118.27 2nnn h VAL 72 Ca 0.04 -2.41 -0.25 0.00 -1.23 0.00 0.00 66.70 62.86 2nnn h VAL 72 Cb 0.80 2.40 0.01 0.00 -2.13 0.00 0.00 31.29 32.37 2nnn h VAL 72 CO 0.06 0.63 -1.02 0.58 -1.23 0.00 0.00 177.57 176.59 2nnn h VAL 73 N 0.00 1.36 -0.02 7.19 2.07 -1.34 -1.31 116.25 124.19 2nnn h VAL 73 Ca -0.01 -2.42 0.02 0.00 0.82 0.00 0.00 66.70 65.12 2nnn h VAL 73 Cb 1.35 2.46 -0.05 0.00 -1.52 0.00 0.00 31.29 33.53 2nnn h VAL 73 CO 0.08 0.73 -0.47 -0.08 0.02 0.00 0.00 177.57 177.86 2nnn h GLU 74 N 0.28 -0.55 -0.67 1.57 4.57 -0.97 0.44 114.58 119.26 2nnn h GLU 74 Ca -0.11 0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.07 2nnn h GLU 74 Cb 1.67 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 30.35 2nnn h GLU 74 CO 0.19 -0.36 0.26 0.00 -1.18 0.00 0.00 179.01 177.91 2nnn h ARG 75 N -0.57 0.98 -0.32 1.92 -0.00 -1.23 -0.51 114.38 114.66 2nnn h ARG 75 Ca 0.01 -0.16 -0.06 0.00 -0.50 0.00 0.00 59.98 59.27 2nnn h ARG 75 Cb 0.62 -0.17 -0.01 0.00 0.00 0.00 0.00 29.97 30.41 2nnn h ARG 75 CO -0.32 0.80 -0.04 -0.07 0.00 0.00 0.00 179.97 180.34 2nnn h LEU 76 N 0.96 0.59 -1.21 3.04 4.07 -1.10 -3.06 115.31 118.59 2nnn h LEU 76 Ca 0.23 -0.34 -0.07 0.00 0.08 0.00 0.00 57.88 57.77 2nnn h LEU 76 Cb 0.19 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 2nnn h LEU 76 CO -0.02 0.79 -0.35 -0.78 -1.08 0.00 0.00 178.44 177.00 2nnn h ASP 77 N 0.37 0.00 0.56 -0.43 3.58 -0.63 -1.37 116.42 118.50 2nnn h ASP 77 Ca 0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.53 2nnn h ASP 77 Cb 0.51 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.56 2nnn h ASP 77 CO 0.02 0.35 0.00 1.17 -2.88 0.00 0.00 179.24 177.90 2nnn n LYS 78 N -3.77 0.14 -0.00 0.28 4.81 -0.22 -3.00 118.16 116.40 2nnn n LYS 78 Ca -0.01 0.42 0.04 0.00 -0.87 0.00 0.00 58.31 57.89 2nnn n LYS 78 Cb 0.43 -1.80 -0.05 0.00 0.02 0.00 0.00 35.03 33.64 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 -2.07 3.95 -0.75 1.64 1.74 -0.57 -5.01 116.66 115.59 2nnn n ARG 79 Ca 0.02 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2nnn n ARG 79 Cb 0.18 -0.93 0.00 0.00 -1.02 0.00 0.00 32.46 30.69 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 1.22 0.61 0.13 -0.13 0.00 -0.89 -4.94 105.19 101.20 2nnn n GLY 80 Ca 0.02 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.04 2nnn n GLY 80 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2nnn h LEU 81 N 0.00 0.00 -8.60 0.99 3.38 -1.80 -3.38 115.31 105.90 2nnn h LEU 81 Ca 0.00 -0.05 -0.30 0.00 0.09 0.00 0.00 57.88 57.62 2nnn h LEU 81 Cb 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.60 2nnn h LEU 81 CO 0.00 0.03 -0.70 0.27 0.09 0.00 0.00 178.44 178.12 2nnn s ILE 82 N -3.23 0.99 0.03 1.22 -5.25 -1.25 -1.67 121.20 112.05 2nnn s ILE 82 Ca 0.05 -2.02 0.06 0.00 -0.99 0.00 0.00 60.65 57.75 2nnn s ILE 82 Cb 0.09 -1.84 -0.02 0.00 2.95 0.00 0.00 42.46 43.65 2nnn s ILE 82 CO 0.71 -0.75 -0.17 0.00 -1.79 0.00 0.00 174.94 172.94 2nnn s GLN 83 N -3.79 1.14 -0.10 0.37 -2.07 0.14 -4.60 119.66 110.76 2nnn s GLN 83 Ca 0.16 -0.80 -0.01 0.00 -1.82 0.00 0.00 55.36 52.89 2nnn s GLN 83 Cb 0.04 -1.19 -0.03 0.00 -1.09 0.00 0.00 33.01 30.74 2nnn s GLN 83 CO -0.01 0.30 -0.05 1.03 -1.32 0.00 0.00 175.29 175.24 2nnn s ARG 84 N -1.06 3.05 -0.04 9.60 0.52 -1.26 -0.96 118.95 128.79 2nnn s ARG 84 Ca 0.04 -0.52 -0.16 0.00 -0.52 0.00 0.00 55.73 54.57 2nnn s ARG 84 Cb -0.08 -2.71 0.03 0.00 0.52 0.00 0.00 34.95 32.72 2nnn s ARG 84 CO 0.01 0.55 0.36 -1.54 0.02 0.00 0.00 175.30 174.70 2nnn s SER 85 N -0.48 -0.28 0.22 0.23 1.04 -0.62 -4.99 113.70 108.83 2nnn s SER 85 Ca 0.07 0.28 -0.32 0.00 0.48 0.00 0.00 55.95 56.46 2nnn s SER 85 Cb -0.12 0.42 -0.14 0.00 0.10 0.00 0.00 66.02 66.29 2nnn s SER 85 CO 0.02 -0.41 1.44 0.00 0.98 0.00 0.00 173.24 175.27 2nnn n ALA 86 N 1.51 1.11 -2.12 5.32 0.00 -1.26 -0.69 120.51 124.38 2nnn n ALA 86 Ca -0.20 0.42 -0.42 0.00 0.00 0.00 0.00 53.44 53.24 2nnn n ALA 86 Cb 0.56 -2.28 -0.03 0.00 0.00 0.00 0.00 19.45 17.70 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 0.42 6.75 0.55 0.00 -1.08 -0.47 -4.74 116.67 118.09 2nnn s ASP 87 Ca 0.71 2.12 0.23 0.00 -0.52 0.00 0.00 52.55 55.09 2nnn s ASP 87 Cb -0.66 -2.54 1.45 0.00 -1.46 0.00 0.00 42.92 39.71 2nnn s ASP 87 CO 0.47 -0.86 2.10 -0.65 0.52 0.00 0.00 175.17 176.76 2nnn h PRO 88 N 8.91 0.00 -0.43 4.34 0.11 -1.90 -2.52 132.00 140.52 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 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2nnn h PRO 88 CO 0.95 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.49 2nnn n ASP 89 N -4.25 3.36 -2.98 -2.05 8.00 -1.26 -4.80 116.55 112.56 2nnn n ASP 89 Ca 0.02 -1.95 0.04 0.00 0.71 0.00 0.00 54.79 53.61 2nnn n ASP 89 Cb 0.30 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 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 -1.24 -0.18 0.64 -2.24 -1.08 -0.95 -5.05 116.67 106.56 2nnn s ASP 90 Ca 0.36 -0.02 0.35 0.00 -0.52 0.00 0.00 52.55 52.72 2nnn s ASP 90 Cb 0.20 0.78 1.94 0.00 -1.46 0.00 0.00 42.92 44.38 2nnn s ASP 90 CO 0.28 -0.03 2.16 1.23 0.52 0.00 0.00 175.17 179.33 2nnn h GLY 91 N 6.40 0.00 2.00 2.66 0.00 -1.85 -0.77 103.07 111.50 2nnn h GLY 91 Ca -0.09 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 2nnn h GLY 91 CO -0.13 0.00 -0.25 3.21 0.00 0.00 0.00 176.54 179.37 2nnn h ARG 92 N 0.00 0.00 -6.51 4.80 3.08 -1.97 -3.43 114.38 110.35 2nnn h ARG 92 Ca 0.03 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.56 2nnn h ARG 92 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 2nnn h ARG 92 CO -0.00 0.25 -0.12 1.03 -1.07 0.00 0.00 179.97 180.07 2nnn s ARG 93 N -3.90 3.66 -0.18 0.04 1.81 -0.30 -5.02 118.95 115.07 2nnn s ARG 93 Ca -0.01 0.07 0.01 0.00 -1.72 0.00 0.00 55.73 54.08 2nnn s ARG 93 Cb 0.12 -2.63 0.03 0.00 -0.45 0.00 0.00 34.95 32.03 2nnn s ARG 93 CO 0.65 0.20 -0.14 -1.17 -0.68 0.00 0.00 175.30 174.16 2nnn s LEU 94 N -3.51 2.15 0.22 2.53 2.96 -1.26 -1.37 118.68 120.40 2nnn s LEU 94 Ca 0.45 -0.75 -0.27 0.00 -0.22 0.00 0.00 54.13 53.34 2nnn s LEU 94 Cb -0.11 -1.30 -0.09 0.00 0.50 0.00 0.00 46.19 45.20 2nnn s LEU 94 CO 0.29 -0.09 0.86 -0.76 -1.32 0.00 0.00 176.35 175.33 2nnn s LEU 95 N 1.38 4.56 -0.12 -0.68 1.02 0.14 -2.45 118.68 122.53 2nnn s LEU 95 Ca 0.02 1.77 -0.01 0.00 0.02 0.00 0.00 54.13 55.93 2nnn s LEU 95 Cb -0.15 -3.54 -0.02 0.00 0.02 0.00 0.00 46.19 42.50 2nnn s LEU 95 CO -0.10 0.14 -0.08 -0.69 0.02 0.00 0.00 176.35 175.63 2nnn s VAL 96 N -1.26 3.52 0.04 -1.59 1.01 0.18 -1.59 120.40 120.72 2nnn s VAL 96 Ca 0.40 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.87 2nnn s VAL 96 Cb -0.23 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 2nnn s VAL 96 CO 0.28 0.54 -0.04 -0.44 0.00 0.00 0.00 175.10 175.43 2nnn s SER 97 N -0.05 0.55 0.23 3.32 0.01 -0.14 -1.09 113.70 116.53 2nnn s SER 97 Ca -0.01 -0.75 -0.30 0.00 1.31 0.00 0.00 55.95 56.21 2nnn s SER 97 Cb -0.14 0.12 -0.09 0.00 0.21 0.00 0.00 66.02 66.13 2nnn s SER 97 CO 0.03 -0.41 1.31 -0.76 0.41 0.00 0.00 173.24 173.82 2nnn s LEU 98 N -2.20 4.42 0.78 2.44 1.02 -1.26 0.25 118.68 124.14 2nnn s LEU 98 Ca -0.03 2.47 -0.11 0.00 0.02 0.00 0.00 54.13 56.49 2nnn s LEU 98 Cb -0.02 -3.62 0.06 0.00 0.02 0.00 0.00 46.19 42.64 2nnn s LEU 98 CO -0.04 -0.53 1.10 -0.44 0.02 0.00 0.00 176.35 176.45 2nnn s SER 99 N 0.13 4.40 0.30 2.29 0.01 -0.67 -4.73 113.70 115.43 2nnn s SER 99 Ca 0.55 1.85 0.06 0.00 1.31 0.00 0.00 55.95 59.72 2nnn s SER 99 Cb -0.37 -2.52 0.82 0.00 0.21 0.00 0.00 66.02 64.15 2nnn s SER 99 CO 0.41 -2.11 1.67 -0.65 0.41 0.00 0.00 173.24 172.97 2nnn h PRO 100 N -1.17 0.29 0.65 12.44 0.11 -1.90 0.69 132.00 143.10 2nnn h PRO 100 Ca -0.43 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 2nnn h PRO 100 Cb 1.23 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2nnn h PRO 100 CO 0.51 0.19 -0.41 0.00 -0.21 0.00 0.00 178.00 178.08 2nnn h ALA 101 N 1.78 -1.03 -0.95 -0.75 0.00 -1.90 -1.09 119.26 115.31 2nnn h ALA 101 Ca 0.60 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.38 2nnn h ALA 101 Cb 1.25 0.51 -0.07 0.00 0.00 0.00 0.00 17.79 19.48 2nnn h ALA 101 CO -0.61 -1.10 0.60 0.78 0.00 0.00 0.00 179.25 178.93 2nnn h GLY 102 N -1.00 1.46 0.87 0.00 0.00 -1.43 0.93 103.07 103.89 2nnn h GLY 102 Ca -0.08 -0.44 0.03 0.00 0.00 0.00 0.00 47.33 46.85 2nnn h GLY 102 CO 0.07 0.29 0.52 -0.09 0.00 0.00 0.00 176.54 177.33 2nnn h ARG 103 N 1.08 0.98 0.10 4.80 9.65 0.43 -0.62 114.38 130.81 2nnn h ARG 103 Ca 0.42 -0.06 -0.27 0.00 -1.10 0.00 0.00 59.98 58.97 2nnn h ARG 103 Cb 0.21 -0.22 -0.00 0.00 -1.39 0.00 0.00 29.97 28.56 2nnn h ARG 103 CO -0.19 0.65 -1.27 0.00 2.80 0.00 0.00 179.97 181.97 2nnn h ALA 104 N 1.34 0.19 -0.13 2.80 0.00 0.24 -3.13 119.26 120.56 2nnn h ALA 104 Ca 0.33 -0.95 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 2nnn h ALA 104 Cb 0.02 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2nnn h ALA 104 CO -0.12 1.07 -0.01 0.93 0.00 0.00 0.00 179.25 181.12 2nnn h GLU 105 N 0.06 0.19 0.44 0.00 4.39 0.96 -2.46 114.58 118.16 2nnn h GLU 105 Ca -0.14 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.52 2nnn h GLU 105 Cb 1.95 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.57 2nnn h GLU 105 CO 0.18 0.22 -0.21 1.25 -1.16 0.00 0.00 179.01 179.29 2nnn h LEU 106 N 0.19 -0.50 -6.46 1.33 5.85 -1.11 -3.23 115.31 111.39 2nnn h LEU 106 Ca 0.05 -0.01 -0.72 0.00 0.84 0.00 0.00 57.88 58.03 2nnn h LEU 106 Cb 0.15 0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.23 2nnn h LEU 106 CO 0.00 -0.31 2.65 -0.62 -0.34 0.00 0.00 178.44 179.82 2nnn n GLU 107 N -5.32 3.11 0.00 1.25 -0.58 -0.93 0.49 120.64 118.67 2nnn n GLU 107 Ca -0.11 -2.98 0.00 0.00 -0.42 0.00 0.00 57.16 53.64 2nnn n GLU 107 Cb 0.26 -3.22 0.00 0.00 -0.57 0.00 0.00 31.44 27.91 2nnn n GLU 107 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2nnn n GLY 109 N 3.97 2.03 0.22 0.62 0.00 -1.22 -4.68 105.19 106.13 2nnn n GLY 109 Ca 0.48 -0.46 0.04 0.00 0.00 0.00 0.00 46.02 46.08 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 0.06 -0.30 0.99 3.38 -0.19 -3.01 115.31 116.24 2nnn h LEU 110 Ca 0.00 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2nnn h LEU 110 Cb 0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2nnn h LEU 110 CO 0.00 0.28 0.04 0.00 0.09 0.00 0.00 178.44 178.85 2nnn h ALA 111 N 1.72 0.40 -0.77 1.53 0.00 -1.85 -2.18 119.26 118.12 2nnn h ALA 111 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2nnn h ALA 111 Cb 0.42 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2nnn h ALA 111 CO 0.03 0.11 0.49 0.00 0.00 0.00 0.00 179.25 179.88 2nnn h ALA 112 N 0.87 0.98 -0.65 0.00 0.00 -1.84 -1.83 119.26 116.79 2nnn h ALA 112 Ca 0.09 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2nnn h ALA 112 Cb 0.36 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2nnn h ALA 112 CO 0.01 0.41 0.38 0.00 0.00 0.00 0.00 179.25 180.06 2nnn h ALA 113 N 1.27 0.85 -0.31 0.00 0.00 -1.48 0.35 119.26 119.94 2nnn h ALA 113 Ca 0.28 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.08 2nnn h ALA 113 Cb -0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2nnn h ALA 113 CO -0.06 0.11 -0.26 0.00 0.00 0.00 0.00 179.25 179.04 2nnn h ARG 114 N 0.74 0.61 -0.33 0.00 3.08 -1.08 -1.64 114.38 115.76 2nnn h ARG 114 Ca 0.27 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 2nnn h ARG 114 Cb 0.08 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2nnn h ARG 114 CO -0.13 0.82 0.05 1.49 -1.07 0.00 0.00 179.97 181.12 2nnn h GLU 115 N 0.53 0.54 -0.46 0.04 4.57 -0.86 -1.59 114.58 117.36 2nnn h GLU 115 Ca 0.07 -0.15 0.09 0.00 -1.18 0.00 0.00 59.36 58.19 2nnn h GLU 115 Cb 0.73 -0.06 -0.08 0.00 -0.16 0.00 0.00 28.75 29.18 2nnn h GLU 115 CO 0.06 0.63 -0.06 0.82 -1.18 0.00 0.00 179.01 179.29 2nnn h ILE 116 N 0.37 0.59 0.01 2.32 2.04 -0.08 -1.84 117.51 120.93 2nnn h ILE 116 Ca 0.10 -0.02 -0.20 0.00 1.00 0.00 0.00 64.86 65.74 2nnn h ILE 116 Cb 0.36 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 2nnn h ILE 116 CO 0.01 0.01 -0.96 -0.55 0.00 0.00 0.00 178.15 176.66 2nnn h ASN 117 N 0.05 0.07 0.71 1.72 7.08 -1.26 -2.30 115.58 121.66 2nnn h ASN 117 Ca 0.23 -0.07 -0.08 0.00 -3.08 0.00 0.00 56.30 53.30 2nnn h ASN 117 Cb 0.34 -0.02 -0.01 0.00 -2.08 0.00 0.00 38.32 36.55 2nnn h ASN 117 CO -0.43 0.98 -0.38 0.08 -2.08 0.00 0.00 177.43 175.61 2nnn h ARG 118 N 0.02 0.00 -0.33 4.14 0.11 -1.13 -2.20 114.38 114.99 2nnn h ARG 118 Ca -0.03 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.89 2nnn h ARG 118 Cb 1.66 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.74 2nnn h ARG 118 CO 0.13 0.38 -0.44 1.96 0.10 0.00 0.00 179.97 182.09 2nnn h GLN 119 N 0.00 0.89 -0.27 0.08 4.20 -1.18 -0.57 115.11 118.26 2nnn h GLN 119 Ca -0.00 -0.51 -0.04 0.00 0.06 0.00 0.00 58.65 58.15 2nnn h GLN 119 Cb 0.83 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.64 2nnn h GLN 119 CO 0.05 1.15 -0.02 0.00 -0.67 0.00 0.00 178.83 179.35 2nnn h ALA 120 N 0.72 1.48 -0.03 3.87 0.00 -1.20 -2.94 119.26 121.16 2nnn h ALA 120 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2nnn h ALA 120 Cb 1.05 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2nnn h ALA 120 CO 0.10 0.37 -0.12 1.28 0.00 0.00 0.00 179.25 180.89 2nnn n LEU 121 N -4.31 2.69 -0.14 0.00 4.77 -0.85 -4.55 117.00 114.61 2nnn n LEU 121 Ca 0.01 -0.91 0.12 0.00 -0.03 0.00 0.00 56.01 55.19 2nnn n LEU 121 Cb 0.23 -0.00 0.47 0.00 -2.33 0.00 0.00 43.42 41.78 2nnn n LEU 121 CO 0.38 0.46 1.20 0.00 -1.33 0.00 0.00 177.39 178.10 2nnn h ALA 122 N 4.49 1.98 0.00 -1.18 0.00 -0.91 -0.76 119.26 122.88 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 0.92 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2nnn h ALA 122 CO 0.00 -0.14 0.17 -1.35 0.00 0.00 0.00 179.25 177.93 2nnn h PRO 123 N 0.49 0.00 -6.37 0.00 0.11 -1.80 -3.42 132.00 121.01 2nnn h PRO 123 Ca 0.33 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.79 2nnn h PRO 123 Cb 0.61 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 31.60 2nnn h PRO 123 CO -0.11 0.00 -0.67 -0.51 -0.21 0.00 0.00 178.00 176.50 2nnn s LEU 124 N -5.35 3.40 0.81 2.35 1.02 -0.29 -5.14 118.68 115.49 2nnn s LEU 124 Ca -0.03 -0.22 -0.12 0.00 0.02 0.00 0.00 54.13 53.78 2nnn s LEU 124 Cb 0.09 -2.13 0.09 0.00 0.02 0.00 0.00 46.19 44.25 2nnn s LEU 124 CO 0.27 0.16 1.17 -0.94 0.02 0.00 0.00 176.35 177.04 2nnn s SER 125 N -2.38 4.44 0.21 2.29 1.04 -1.26 -4.79 113.70 113.25 2nnn s SER 125 Ca 0.25 0.71 -0.10 0.00 0.48 0.00 0.00 55.95 57.29 2nnn s SER 125 Cb -0.11 -1.19 0.29 0.00 0.10 0.00 0.00 66.02 65.11 2nnn s SER 125 CO 0.18 -1.93 1.71 -0.07 0.98 0.00 0.00 173.24 174.10 2nnn h LEU 126 N -1.05 0.01 -1.00 2.42 3.38 -1.98 0.38 115.31 117.47 2nnn h LEU 126 Ca -0.46 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 2nnn h LEU 126 Cb 1.32 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.22 2nnn h LEU 126 CO 0.64 0.01 -0.09 1.56 0.09 0.00 0.00 178.44 180.65 2nnn h GLN 127 N 0.26 0.00 0.10 1.13 7.50 -1.99 -1.22 115.11 120.90 2nnn h GLN 127 Ca 0.31 0.00 -0.29 0.00 0.50 0.00 0.00 58.65 59.17 2nnn h GLN 127 Cb 0.46 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.98 2nnn h GLN 127 CO -0.40 0.09 -1.41 0.93 -1.50 0.00 0.00 178.83 176.55 2nnn h GLU 128 N 0.00 0.22 0.00 1.46 5.08 -1.58 -2.70 114.58 117.06 2nnn h GLU 128 Ca -0.00 -0.38 -0.11 0.00 -1.00 0.00 0.00 59.36 57.87 2nnn h GLU 128 Cb 0.72 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 2nnn h GLU 128 CO 0.01 1.10 -0.53 1.96 -1.00 0.00 0.00 179.01 180.56 2nnn h GLN 129 N 0.06 0.00 0.50 2.33 4.20 -0.76 -0.79 115.11 120.66 2nnn h GLN 129 Ca -0.19 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.49 2nnn h GLN 129 Cb 1.98 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.77 2nnn h GLN 129 CO 0.17 0.53 -0.24 1.49 -0.67 0.00 0.00 178.83 180.10 2nnn h GLU 130 N 0.00 -0.65 -0.51 1.46 4.81 -1.30 -2.78 114.58 115.61 2nnn h GLU 130 Ca -0.01 0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2nnn h GLU 130 Cb 0.94 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 2nnn h GLU 130 CO 0.07 -0.39 0.20 1.15 -0.73 0.00 0.00 179.01 179.30 2nnn h THR 131 N -0.77 1.22 -0.01 0.32 2.02 -1.35 -2.94 112.91 111.40 2nnn h THR 131 Ca -0.07 -0.68 -0.00 0.00 0.77 0.00 0.00 66.41 66.43 2nnn h THR 131 Cb 0.56 0.70 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 2nnn h THR 131 CO 0.11 0.26 0.00 0.25 0.37 0.00 0.00 175.52 176.52 2nnn h LEU 132 N 0.69 0.01 -1.35 2.58 5.85 -1.22 -1.61 115.31 120.26 2nnn h LEU 132 Ca 0.17 -0.15 0.15 0.00 0.84 0.00 0.00 57.88 58.89 2nnn h LEU 132 Cb 0.21 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 2nnn h LEU 132 CO -0.01 0.16 0.56 -0.09 -0.34 0.00 0.00 178.44 178.72 2nnn h ARG 133 N -0.14 0.61 0.05 1.25 2.43 -1.47 0.99 114.38 118.09 2nnn h ARG 133 Ca 0.00 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2nnn h ARG 133 Cb 0.15 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 2nnn h ARG 133 CO -0.00 0.40 -0.02 0.78 -1.51 0.00 0.00 179.97 179.62 2nnn h GLY 134 N 0.62 -0.07 0.95 2.80 0.00 -1.30 -2.27 103.07 103.81 2nnn h GLY 134 Ca 0.44 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.79 2nnn h GLY 134 CO -0.19 -0.02 0.11 1.41 0.00 0.00 0.00 176.54 177.84 2nnn h LEU 135 N -0.54 0.24 -0.72 3.11 4.07 -0.80 -3.01 115.31 117.66 2nnn h LEU 135 Ca -0.01 -0.07 -0.00 0.00 0.08 0.00 0.00 57.88 57.88 2nnn h LEU 135 Cb 0.48 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 42.13 2nnn h LEU 135 CO 0.01 0.24 0.45 -0.07 -1.08 0.00 0.00 178.44 177.99 2nnn h LEU 136 N 0.21 0.85 -1.34 1.67 3.38 -0.93 -2.69 115.31 116.47 2nnn h LEU 136 Ca 0.07 -0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.10 2nnn h LEU 136 Cb 0.06 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.53 2nnn h LEU 136 CO -0.01 0.65 0.54 0.00 0.09 0.00 0.00 178.44 179.70 2nnn h ALA 137 N 1.24 1.81 0.00 1.53 0.00 -1.32 0.35 119.26 122.86 2nnn h ALA 137 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2nnn h ALA 137 Cb -0.06 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2nnn h ALA 137 CO -0.05 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.74 2nnn n ARG 138 N -4.52 0.04 -0.11 0.00 5.12 -1.01 -2.52 116.66 113.65 2nnn n ARG 138 Ca 0.15 0.30 0.04 0.00 -1.93 0.00 0.00 57.85 56.41 2nnn n ARG 138 Cb 0.39 -1.50 0.10 0.00 -1.16 0.00 0.00 32.46 30.29 2nnn n ARG 138 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2nnn n LEU 139 N -1.44 2.53 0.00 0.55 4.77 0.11 -5.13 117.00 118.38 2nnn n LEU 139 Ca 0.03 -1.84 0.00 0.00 -0.03 0.00 0.00 56.01 54.17 2nnn n LEU 139 Cb 0.10 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2nnn n LEU 139 CO 0.08 0.62 0.18 -0.38 -1.33 0.00 0.00 177.39 176.56