#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 0.53 0.00 0.55 5.85 -2.07 -2.18 115.31 117.99 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 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.93 2nnn h LEU 9 CO 0.00 0.31 0.00 0.47 -0.34 0.00 0.00 178.44 178.88 2nnn n ASP 10 N -4.49 0.00 -0.00 1.25 9.92 -1.26 -1.47 116.55 120.50 2nnn n ASP 10 Ca 0.12 -0.09 0.10 0.00 -0.53 0.00 0.00 54.79 54.39 2nnn n ASP 10 Cb 0.35 -0.22 -0.13 0.00 -0.64 0.00 0.00 41.12 40.49 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 -1.22 0.79 -4.71 -2.24 8.00 -0.82 -4.86 116.55 111.50 2nnn n ASP 11 Ca 0.09 -0.76 -0.42 0.00 0.71 0.00 0.00 54.79 54.41 2nnn n ASP 11 Cb 0.11 1.21 -0.03 0.00 -0.02 0.00 0.00 41.12 42.40 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 -3.03 4.39 0.45 -1.24 -1.52 -0.54 -4.92 119.66 113.25 2nnn s GLN 12 Ca 0.04 1.81 0.11 0.00 -1.95 0.00 0.00 55.36 55.36 2nnn s GLN 12 Cb 0.15 -3.40 1.01 0.00 -0.22 0.00 0.00 33.01 30.56 2nnn s GLN 12 CO 0.84 -0.34 2.09 0.97 -0.25 0.00 0.00 175.29 178.59 2nnn h ILE 13 N 4.61 1.06 -0.26 1.08 6.09 -1.93 -2.15 117.51 126.01 2nnn h ILE 13 Ca -0.40 -0.12 -0.07 0.00 -1.37 0.00 0.00 64.86 62.90 2nnn h ILE 13 Cb 1.20 0.67 -0.01 0.00 0.47 0.00 0.00 36.82 39.16 2nnn h ILE 13 CO 0.84 0.06 -0.09 1.23 -3.07 0.00 0.00 178.15 177.12 2nnn h GLY 14 N 0.35 0.56 0.96 8.18 0.00 -1.94 0.50 103.07 111.69 2nnn h GLY 14 Ca 0.11 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 2nnn h GLY 14 CO -0.02 0.44 0.05 -2.75 0.00 0.00 0.00 176.54 174.26 2nnn h PHE 15 N 0.26 0.11 -0.38 5.60 3.57 -1.80 -0.34 116.94 123.97 2nnn h PHE 15 Ca 0.06 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.60 2nnn h PHE 15 Cb 0.58 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 2nnn h PHE 15 CO 0.06 0.12 0.17 0.82 -2.23 0.00 0.00 178.31 177.24 2nnn h ILE 16 N 0.07 0.95 -0.75 1.41 2.04 -1.35 -1.83 117.51 118.04 2nnn h ILE 16 Ca 0.03 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 2nnn h ILE 16 Cb 0.04 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 2nnn h ILE 16 CO -0.01 0.06 0.42 -0.07 0.00 0.00 0.00 178.15 178.56 2nnn h LEU 17 N 0.35 0.92 -0.69 1.44 3.38 -0.72 -1.71 115.31 118.29 2nnn h LEU 17 Ca 0.16 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 2nnn h LEU 17 Cb 0.10 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2nnn h LEU 17 CO -0.13 0.75 0.15 -0.09 0.09 0.00 0.00 178.44 179.20 2nnn h ARG 18 N 1.03 1.11 -0.12 1.13 2.43 -0.81 -2.26 114.38 116.90 2nnn h ARG 18 Ca 0.26 -0.28 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2nnn h ARG 18 Cb 0.02 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.42 2nnn h ARG 18 CO -0.04 1.00 0.01 1.96 -1.51 0.00 0.00 179.97 181.39 2nnn h GLN 19 N 1.04 0.19 -0.93 0.20 4.20 -1.00 -0.36 115.11 118.46 2nnn h GLN 19 Ca 0.21 -0.05 0.12 0.00 0.06 0.00 0.00 58.65 58.99 2nnn h GLN 19 Cb 0.40 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.08 2nnn h GLN 19 CO 0.01 0.40 0.59 0.00 -0.67 0.00 0.00 178.83 179.16 2nnn h ALA 20 N 0.78 1.67 -0.48 3.87 0.00 -1.30 0.32 119.26 124.12 2nnn h ALA 20 Ca 0.03 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2nnn h ALA 20 Cb 0.31 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2nnn h ALA 20 CO 0.00 0.11 -0.19 -0.97 0.00 0.00 0.00 179.25 178.20 2nnn h ASN 21 N 0.85 0.97 -0.23 0.00 -0.00 -1.01 -1.47 115.58 114.70 2nnn h ASN 21 Ca 0.45 -0.35 -0.14 0.00 -0.00 0.00 0.00 56.30 56.26 2nnn h ASN 21 Cb 0.54 -0.27 -0.01 0.00 -0.00 0.00 0.00 38.32 38.58 2nnn h ASN 21 CO -0.22 1.13 -0.34 1.56 -0.00 0.00 0.00 177.43 179.57 2nnn h GLN 22 N 0.83 0.75 -0.27 6.67 4.20 0.21 -0.50 115.11 127.00 2nnn h GLN 22 Ca 0.11 -0.36 -0.03 0.00 0.06 0.00 0.00 58.65 58.44 2nnn h GLN 22 Cb 0.75 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 2nnn h GLN 22 CO 0.06 0.98 0.05 -0.09 -0.67 0.00 0.00 178.83 179.16 2nnn h ARG 23 N 0.63 0.45 -0.25 1.46 2.43 -0.93 -2.31 114.38 115.86 2nnn h ARG 23 Ca 0.06 -0.12 0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2nnn h ARG 23 Cb 0.87 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.35 2nnn h ARG 23 CO 0.08 0.55 0.12 -0.92 -1.51 0.00 0.00 179.97 178.28 2nnn h TYR 24 N 0.27 0.21 -0.78 2.20 3.20 -1.12 -1.02 116.97 119.93 2nnn h TYR 24 Ca 0.08 0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.12 2nnn h TYR 24 Cb 0.32 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.47 2nnn h TYR 24 CO 0.02 0.12 0.52 0.00 -1.64 0.00 0.00 178.16 177.17 2nnn h ALA 25 N 1.14 2.12 0.07 1.82 0.00 -1.01 0.27 119.26 123.66 2nnn h ALA 25 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.80 2nnn h ALA 25 Cb 0.04 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.79 2nnn h ALA 25 CO -0.08 -0.33 -0.89 0.00 0.00 0.00 0.00 179.25 177.95 2nnn h ALA 26 N 1.64 0.01 -0.93 0.00 0.00 -0.82 -0.13 119.26 119.03 2nnn h ALA 26 Ca 0.39 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2nnn h ALA 26 Cb 0.89 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2nnn h ALA 26 CO -0.13 0.49 0.55 -0.07 0.00 0.00 0.00 179.25 180.09 2nnn h LEU 27 N -0.00 1.13 0.09 0.00 3.38 -0.73 -1.64 115.31 117.55 2nnn h LEU 27 Ca -0.13 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 2nnn h LEU 27 Cb 1.61 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2nnn h LEU 27 CO 0.17 0.88 -0.04 0.15 0.09 0.00 0.00 178.44 179.69 2nnn h PHE 28 N 1.29 -0.11 -0.75 1.13 3.04 -0.43 -0.92 116.94 120.18 2nnn h PHE 28 Ca 0.33 -0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.39 2nnn h PHE 28 Cb -0.03 0.04 -0.05 0.00 2.56 0.00 0.00 35.95 38.46 2nnn h PHE 28 CO 0.01 0.22 0.50 0.00 -2.02 0.00 0.00 178.31 177.01 2nnn h ALA 29 N 0.41 1.90 0.00 2.41 0.00 -1.01 -1.08 119.26 121.89 2nnn h ALA 29 Ca -0.01 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 2nnn h ALA 29 Cb 0.38 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2nnn h ALA 29 CO 0.02 -0.08 -0.72 -0.91 0.00 0.00 0.00 179.25 177.56 2nnn h ASN 30 N 0.59 0.00 0.00 0.00 2.35 -1.21 -3.41 115.58 113.90 2nnn h ASN 30 Ca 0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 2nnn h ASN 30 Cb 0.59 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.96 2nnn h ASN 30 CO -0.13 0.50 -0.71 0.61 -1.65 0.00 0.00 177.43 176.05 2nnn n GLY 31 N 1.26 0.06 0.24 2.83 0.00 -0.36 -4.70 105.19 104.52 2nnn n GLY 31 Ca -0.01 -0.21 -0.16 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 1.27 0.00 -0.61 6.09 -1.44 -3.45 117.51 119.38 2nnn h ILE 32 Ca 0.00 -1.82 0.00 0.00 -1.37 0.00 0.00 64.86 61.67 2nnn h ILE 32 Cb 0.24 1.77 0.00 0.00 0.47 0.00 0.00 36.82 39.30 2nnn h ILE 32 CO 0.00 0.59 0.00 0.61 -3.07 0.00 0.00 178.15 176.28 2nnn n GLY 33 N 0.51 3.03 1.05 8.18 0.00 -1.26 -4.81 105.19 111.88 2nnn n GLY 33 Ca -0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 3.29 0.00 1.61 0.23 -1.26 -4.97 115.26 114.16 2nnn n ASN 34 Ca 0.00 -1.95 0.00 0.00 -0.53 0.00 0.00 54.58 52.10 2nnn n ASN 34 Cb 0.00 -0.21 0.00 0.00 -2.08 0.00 0.00 39.78 37.49 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 1.35 0.63 3.79 4.83 0.00 -1.26 -5.01 105.19 109.52 2nnn n GLY 35 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 4.40 0.73 0.99 1.43 -1.26 -5.08 118.68 119.89 2nnn s LEU 36 Ca 0.00 1.62 -0.11 0.00 -1.03 0.00 0.00 54.13 54.61 2nnn s LEU 36 Cb 0.00 -3.67 0.03 0.00 0.03 0.00 0.00 46.19 42.57 2nnn s LEU 36 CO 0.00 0.04 1.07 0.42 0.23 0.00 0.00 176.35 178.11 2nnn s THR 37 N -1.47 3.75 0.39 5.49 -4.23 -1.26 -4.85 115.64 113.46 2nnn s THR 37 Ca 0.44 0.57 0.17 0.00 -1.18 0.00 0.00 61.69 61.68 2nnn s THR 37 Cb -0.19 -3.30 0.38 0.00 1.34 0.00 0.00 72.50 70.73 2nnn s THR 37 CO 0.23 -0.74 1.79 -0.65 -0.54 0.00 0.00 174.62 174.71 2nnn h PRO 38 N -0.83 0.42 0.00 3.99 0.11 -1.97 -0.43 132.00 133.29 2nnn h PRO 38 Ca -0.45 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.47 2nnn h PRO 38 Cb 1.23 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 2nnn h PRO 38 CO 0.57 0.28 -1.13 1.79 -0.21 0.00 0.00 178.00 179.30 2nnn h THR 39 N 0.44 0.76 -0.39 -1.15 1.35 -1.98 -1.10 112.91 110.84 2nnn h THR 39 Ca 0.57 -2.27 -0.11 0.00 -0.55 0.00 0.00 66.41 64.04 2nnn h THR 39 Cb 1.37 2.26 -0.01 0.00 -1.73 0.00 0.00 68.15 70.04 2nnn h THR 39 CO -0.28 0.43 -0.21 1.56 -0.25 0.00 0.00 175.52 176.78 2nnn h GLN 40 N 0.00 0.82 -0.01 4.72 4.20 -1.79 -1.63 115.11 121.43 2nnn h GLN 40 Ca -0.11 -0.37 0.02 0.00 0.06 0.00 0.00 58.65 58.24 2nnn h GLN 40 Cb 1.59 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.33 2nnn h GLN 40 CO 0.06 1.00 -0.08 2.35 -0.67 0.00 0.00 178.83 181.49 2nnn h TRP 41 N 0.63 -0.20 -0.27 2.96 2.91 -1.08 -1.16 115.95 119.73 2nnn h TRP 41 Ca 0.08 0.01 0.06 0.00 1.13 0.00 0.00 58.89 60.18 2nnn h TRP 41 Cb 0.76 0.09 -0.07 0.00 -0.51 0.00 0.00 29.16 29.44 2nnn h TRP 41 CO 0.06 -0.13 -0.19 0.00 -1.03 0.00 0.00 178.44 177.15 2nnn h ALA 42 N 0.85 -0.02 -0.66 2.65 0.00 -1.13 0.31 119.26 121.26 2nnn h ALA 42 Ca 0.03 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2nnn h ALA 42 Cb 0.18 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2nnn h ALA 42 CO -0.09 -0.60 0.43 0.00 0.00 0.00 0.00 179.25 178.99 2nnn h ALA 43 N 0.96 0.84 -0.10 0.00 0.00 -1.24 0.04 119.26 119.76 2nnn h ALA 43 Ca 0.15 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2nnn h ALA 43 Cb 0.40 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2nnn h ALA 43 CO -0.38 0.28 0.04 1.25 0.00 0.00 0.00 179.25 180.44 2nnn h LEU 44 N 0.90 0.05 0.50 0.00 5.85 -0.57 -1.59 115.31 120.46 2nnn h LEU 44 Ca 0.24 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 2nnn h LEU 44 Cb -0.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.95 2nnn h LEU 44 CO -0.05 0.04 -0.27 0.58 -0.34 0.00 0.00 178.44 178.40 2nnn h VAL 45 N 0.09 0.45 -0.63 1.05 2.07 -0.21 -2.57 116.25 116.50 2nnn h VAL 45 Ca 0.04 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.69 2nnn h VAL 45 Cb 0.02 0.45 -0.10 0.00 -1.52 0.00 0.00 31.29 30.13 2nnn h VAL 45 CO -0.04 0.00 0.04 -0.09 0.02 0.00 0.00 177.57 177.51 2nnn h ARG 46 N -0.72 0.15 0.00 1.57 9.65 -0.96 0.21 114.38 124.28 2nnn h ARG 46 Ca -0.06 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.81 2nnn h ARG 46 Cb 0.57 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 29.11 2nnn h ARG 46 CO 0.09 0.10 -0.01 -0.07 2.80 0.00 0.00 179.97 182.88 2nnn h LEU 47 N 0.16 0.00 -0.24 3.80 3.38 -1.17 0.15 115.31 121.40 2nnn h LEU 47 Ca 0.33 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.14 2nnn h LEU 47 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2nnn h LEU 47 CO -0.51 0.01 -0.49 1.23 0.09 0.00 0.00 178.44 178.77 2nnn h GLY 48 N 0.07 0.83 0.63 0.83 0.00 -0.20 -1.47 103.07 103.75 2nnn h GLY 48 Ca -0.00 -0.99 -0.01 0.00 0.00 0.00 0.00 47.33 46.34 2nnn h GLY 48 CO 0.00 0.88 -0.07 0.83 0.00 0.00 0.00 176.54 178.19 2nnn h GLU 49 N 0.49 -0.18 0.00 4.80 5.08 -0.35 -3.34 114.58 121.08 2nnn h GLU 49 Ca 0.01 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2nnn h GLU 49 Cb 1.10 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2nnn h GLU 49 CO 0.11 0.18 -0.31 1.79 -1.00 0.00 0.00 179.01 179.78 2nnn h THR 50 N -0.56 0.00 -0.64 1.13 1.35 -0.92 -3.50 112.91 109.77 2nnn h THR 50 Ca -0.02 -0.99 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 2nnn h THR 50 Cb 0.44 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 2nnn h THR 50 CO 0.03 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 2nnn n GLY 51 N 1.13 0.91 3.69 5.82 0.00 -0.55 -4.71 105.19 111.48 2nnn n GLY 51 Ca 0.03 -0.77 -0.56 0.00 0.00 0.00 0.00 46.02 44.72 2nnn n GLY 51 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2nnn n PRO 52 N 0.00 1.28 -3.75 1.61 -0.04 -1.26 -4.72 135.00 128.12 2nnn n PRO 52 Ca 0.00 0.47 -0.13 0.00 -0.04 0.00 0.00 63.50 63.80 2nnn n PRO 52 Cb 0.00 -2.16 -0.10 0.00 -0.04 0.00 0.00 33.50 31.19 2nnn n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2nnn n PRO 54 N 2.71 2.33 -0.37 0.00 -0.02 -1.26 -0.16 135.00 138.24 2nnn n PRO 54 Ca -0.14 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2nnn n PRO 54 Cb 0.57 -2.47 0.14 0.00 -0.02 0.00 0.00 33.50 31.72 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 3.07 1.22 -0.30 -0.52 4.15 -1.92 -2.04 115.11 118.76 2nnn h GLN 55 Ca -0.47 -0.07 -0.11 0.00 0.77 0.00 0.00 58.65 58.76 2nnn h GLN 55 Cb 1.26 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 28.67 2nnn h GLN 55 CO 0.66 0.81 -0.27 -0.91 -1.93 0.00 0.00 178.83 177.19 2nnn h ASN 56 N 1.25 0.63 0.56 -0.69 4.21 -1.95 -2.22 115.58 117.37 2nnn h ASN 56 Ca 0.39 -0.23 -0.16 0.00 1.21 0.00 0.00 56.30 57.52 2nnn h ASN 56 Cb 0.00 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 37.01 2nnn h ASN 56 CO -0.12 0.87 -0.71 -0.61 -1.29 0.00 0.00 177.43 175.57 2nnn h GLN 57 N 0.53 0.13 -0.80 0.81 4.15 -1.89 -2.11 115.11 115.93 2nnn h GLN 57 Ca 0.07 -0.11 0.05 0.00 0.77 0.00 0.00 58.65 59.44 2nnn h GLN 57 Cb 0.74 0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.40 2nnn h GLN 57 CO 0.06 0.78 0.49 1.25 -1.93 0.00 0.00 178.83 179.48 2nnn h LEU 58 N 0.08 0.78 -0.51 -2.39 5.85 -1.04 0.19 115.31 118.28 2nnn h LEU 58 Ca -0.02 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2nnn h LEU 58 Cb 1.26 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 2nnn h LEU 58 CO 0.10 0.51 0.24 1.23 -0.34 0.00 0.00 178.44 180.18 2nnn h GLY 59 N 0.92 0.78 1.84 3.75 0.00 -1.21 -1.94 103.07 107.21 2nnn h GLY 59 Ca 0.34 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 47.19 2nnn h GLY 59 CO -0.15 0.37 -0.32 3.21 0.00 0.00 0.00 176.54 179.65 2nnn h ARG 60 N 0.67 0.19 0.00 4.80 3.08 -0.86 -1.42 114.38 120.83 2nnn h ARG 60 Ca 0.17 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 2nnn h ARG 60 Cb 0.13 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2nnn h ARG 60 CO -0.02 0.49 -0.18 -0.07 -1.07 0.00 0.00 179.97 179.12 2nnn h LEU 61 N 0.17 0.00 -3.18 3.04 3.38 -0.83 -3.27 115.31 114.62 2nnn h LEU 61 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2nnn h LEU 61 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2nnn h LEU 61 CO 0.05 0.18 0.00 0.35 0.09 0.00 0.00 178.44 179.11 2nnn n THR 62 N -3.15 1.96 -2.90 0.22 -2.24 -0.74 -5.09 114.28 102.33 2nnn n THR 62 Ca 0.03 -1.58 -0.00 0.00 -2.27 0.00 0.00 64.05 60.23 2nnn n THR 62 Cb 0.59 -0.04 -0.00 0.00 -2.10 0.00 0.00 70.33 68.78 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 -0.06 -2.85 -2.63 6.98 0.00 -0.58 -5.01 120.51 116.35 2nnn n ALA 63 Ca 0.20 0.42 -0.29 0.00 0.00 0.00 0.00 53.44 53.76 2nnn n ALA 63 Cb 0.79 -1.03 -0.08 0.00 0.00 0.00 0.00 19.45 19.13 2nnn n ALA 63 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2nnn s ASP 65 N -1.27 4.12 0.26 0.00 1.47 -1.26 -5.03 116.67 114.96 2nnn s ASP 65 Ca -0.02 -1.43 -0.02 0.00 1.18 0.00 0.00 52.55 52.26 2nnn s ASP 65 Cb 0.00 0.02 0.46 0.00 -0.34 0.00 0.00 42.92 43.07 2nnn s ASP 65 CO 0.46 -0.68 1.81 0.00 0.68 0.00 0.00 175.17 177.44 2nnn h ALA 66 N 1.47 1.28 -0.02 2.11 0.00 -1.95 -0.84 119.26 121.31 2nnn h ALA 66 Ca -0.43 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 2nnn h ALA 66 Cb 1.28 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.95 2nnn h ALA 66 CO 0.75 0.09 -0.29 0.00 0.00 0.00 0.00 179.25 179.80 2nnn h ALA 67 N 1.50 0.06 -0.89 0.00 0.00 -2.02 -2.01 119.26 115.90 2nnn h ALA 67 Ca 0.44 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.91 2nnn h ALA 67 Cb 0.45 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2nnn h ALA 67 CO -0.27 0.12 0.58 1.15 0.00 0.00 0.00 179.25 180.82 2nnn h THR 68 N -0.39 1.15 -0.07 0.00 2.02 -1.94 -0.68 112.91 113.00 2nnn h THR 68 Ca -0.03 -0.39 -0.21 0.00 0.77 0.00 0.00 66.41 66.55 2nnn h THR 68 Cb 1.01 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 2nnn h THR 68 CO 0.06 0.21 -0.82 -0.29 0.37 0.00 0.00 175.52 175.04 2nnn h ILE 69 N 1.12 1.35 -0.70 3.11 -0.00 -1.23 -2.24 117.51 118.93 2nnn h ILE 69 Ca 0.35 -2.18 0.06 0.00 -0.00 0.00 0.00 64.86 63.09 2nnn h ILE 69 Cb -0.01 2.17 -0.06 0.00 -0.00 0.00 0.00 36.82 38.93 2nnn h ILE 69 CO -0.11 0.66 0.39 0.50 -0.00 0.00 0.00 178.15 179.59 2nnn h LYS 70 N 0.34 0.70 0.10 2.19 3.64 -1.01 -1.40 116.57 121.14 2nnn h LYS 70 Ca -0.06 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.30 2nnn h LYS 70 Cb 1.43 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 33.07 2nnn h LYS 70 CO 0.15 0.46 -0.20 0.78 -2.27 0.00 0.00 179.45 178.37 2nnn h GLY 71 N 0.72 -0.35 1.02 5.01 0.00 -0.92 -2.27 103.07 106.28 2nnn h GLY 71 Ca 0.31 0.23 -0.11 0.00 0.00 0.00 0.00 47.33 47.77 2nnn h GLY 71 CO -0.18 -0.18 -0.14 -0.39 0.00 0.00 0.00 176.54 175.64 2nnn h VAL 72 N -0.37 1.27 -0.99 4.60 -1.51 -1.02 -2.09 116.25 116.14 2nnn h VAL 72 Ca 0.03 -1.27 0.04 0.00 -1.23 0.00 0.00 66.70 64.28 2nnn h VAL 72 Cb 0.40 1.19 -0.06 0.00 -2.13 0.00 0.00 31.29 30.69 2nnn h VAL 72 CO -0.12 0.43 0.65 0.58 -1.23 0.00 0.00 177.57 177.88 2nnn h VAL 73 N 0.68 1.15 -0.53 7.19 2.07 -1.29 0.20 116.25 125.72 2nnn h VAL 73 Ca 0.10 -0.42 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 2nnn h VAL 73 Cb 0.69 -0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 2nnn h VAL 73 CO 0.05 0.22 -0.07 -0.33 0.02 0.00 0.00 177.57 177.47 2nnn h GLU 74 N 1.23 0.97 -0.13 1.57 5.08 -1.18 0.86 114.58 122.97 2nnn h GLU 74 Ca 0.40 -0.33 -0.14 0.00 -1.00 0.00 0.00 59.36 58.30 2nnn h GLU 74 Cb 0.05 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2nnn h GLU 74 CO -0.14 0.99 -0.52 0.00 -1.00 0.00 0.00 179.01 178.35 2nnn h ARG 75 N 0.87 0.35 -0.70 2.33 3.08 -0.63 -0.17 114.38 119.52 2nnn h ARG 75 Ca 0.15 -0.21 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 2nnn h ARG 75 Cb 0.60 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 2nnn h ARG 75 CO 0.04 0.78 0.20 -0.07 -1.07 0.00 0.00 179.97 179.85 2nnn h LEU 76 N 0.28 1.03 -0.20 3.04 -0.00 -0.48 -3.05 115.31 115.93 2nnn h LEU 76 Ca 0.01 -0.20 -0.03 0.00 -0.00 0.00 0.00 57.88 57.65 2nnn h LEU 76 Cb 1.00 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 41.38 2nnn h LEU 76 CO 0.09 0.98 -0.00 -0.78 -0.00 0.00 0.00 178.44 178.72 2nnn h ASP 77 N 1.05 0.35 -0.54 -0.43 3.58 -0.47 -0.61 116.42 119.35 2nnn h ASP 77 Ca 0.22 -0.31 0.16 0.00 0.42 0.00 0.00 57.03 57.52 2nnn h ASP 77 Cb 0.33 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.26 2nnn h ASP 77 CO -0.00 0.58 0.48 0.50 -2.88 0.00 0.00 179.24 177.92 2nnn h LYS 78 N 0.12 0.00 -0.05 0.28 3.64 -1.07 0.28 116.57 119.77 2nnn h LYS 78 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2nnn h LYS 78 Cb 0.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2nnn h LYS 78 CO 0.01 0.00 0.00 0.54 -2.27 0.00 0.00 179.45 177.73 2nnn n ARG 79 N -3.93 1.95 -2.47 1.90 1.74 -1.00 -4.96 116.66 109.90 2nnn n ARG 79 Ca 0.10 -1.39 -0.10 0.00 -0.77 0.00 0.00 57.85 55.69 2nnn n ARG 79 Cb 0.70 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 30.68 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 1.25 0.07 0.00 -0.13 0.00 0.99 -4.95 105.19 102.42 2nnn n GLY 80 Ca 0.17 -0.40 0.06 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.81 0.23 -4.54 0.99 4.77 -0.27 -4.33 117.00 112.03 2nnn n LEU 81 Ca -0.07 -0.21 -0.26 0.00 -0.03 0.00 0.00 56.01 55.43 2nnn n LEU 81 Cb 0.57 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.55 2nnn n LEU 81 CO 0.19 0.06 -0.38 0.27 -1.33 0.00 0.00 177.39 176.19 2nnn s ILE 82 N -2.50 2.22 0.03 -0.08 -5.25 -1.25 -1.61 121.20 112.76 2nnn s ILE 82 Ca -0.01 -2.20 -0.10 0.00 -0.99 0.00 0.00 60.65 57.35 2nnn s ILE 82 Cb 0.08 -2.65 0.01 0.00 2.95 0.00 0.00 42.46 42.85 2nnn s ILE 82 CO 0.48 -0.20 0.20 0.00 -1.79 0.00 0.00 174.94 173.63 2nnn s GLN 83 N -3.61 0.68 -0.03 0.37 -2.07 0.37 -4.46 119.66 110.92 2nnn s GLN 83 Ca 0.32 -0.58 0.07 0.00 -1.82 0.00 0.00 55.36 53.35 2nnn s GLN 83 Cb 0.03 0.28 -0.02 0.00 -1.09 0.00 0.00 33.01 32.21 2nnn s GLN 83 CO 0.16 -0.20 -0.22 1.03 -1.32 0.00 0.00 175.29 174.75 2nnn s ARG 84 N -2.39 2.23 0.06 9.60 0.52 -1.26 -1.46 118.95 126.25 2nnn s ARG 84 Ca -0.06 -0.86 -0.11 0.00 -0.52 0.00 0.00 55.73 54.17 2nnn s ARG 84 Cb -0.02 -2.15 0.01 0.00 0.52 0.00 0.00 34.95 33.31 2nnn s ARG 84 CO -0.03 0.58 0.25 -1.54 0.02 0.00 0.00 175.30 174.58 2nnn s SER 85 N -0.70 -0.03 0.30 0.23 1.04 -0.62 -4.96 113.70 108.95 2nnn s SER 85 Ca 0.11 -0.35 -0.30 0.00 0.48 0.00 0.00 55.95 55.89 2nnn s SER 85 Cb -0.10 0.34 -0.11 0.00 0.10 0.00 0.00 66.02 66.25 2nnn s SER 85 CO -0.00 -0.64 1.58 0.00 0.98 0.00 0.00 173.24 175.16 2nnn s ALA 86 N -2.94 3.73 0.05 5.32 0.00 -1.26 0.56 121.76 127.22 2nnn s ALA 86 Ca -0.02 1.57 -0.30 0.00 0.00 0.00 0.00 51.96 53.20 2nnn s ALA 86 Cb 0.01 -3.64 -0.08 0.00 0.00 0.00 0.00 23.12 19.40 2nnn s ALA 86 CO -0.06 -0.99 1.64 0.34 0.00 0.00 0.00 175.76 176.69 2nnn s ASP 87 N 0.45 6.63 -1.26 0.00 -1.08 -0.39 -4.78 116.67 116.24 2nnn s ASP 87 Ca 0.62 2.42 -0.10 0.00 -0.52 0.00 0.00 52.55 54.98 2nnn s ASP 87 Cb -0.48 -2.56 0.17 0.00 -1.46 0.00 0.00 42.92 38.60 2nnn s ASP 87 CO 0.49 -0.88 1.78 -0.81 0.52 0.00 0.00 175.17 176.27 2nnn n PRO 88 N 5.81 3.59 -2.50 4.34 -0.05 -1.26 -2.82 135.00 142.10 2nnn n PRO 88 Ca 0.16 -3.61 -0.12 0.00 -0.05 0.00 0.00 63.50 59.88 2nnn n PRO 88 Cb 0.41 -2.94 0.01 0.00 -0.05 0.00 0.00 33.50 30.93 2nnn n PRO 88 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 2nnn n ASP 90 N 4.18 -4.15 0.05 3.54 2.03 -1.26 -5.13 116.55 115.81 2nnn n ASP 90 Ca 0.39 0.11 0.07 0.00 0.52 0.00 0.00 54.79 55.87 2nnn n ASP 90 Cb 0.37 -1.08 0.31 0.00 -0.72 0.00 0.00 41.12 40.01 2nnn n ASP 90 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2nnn n GLY 91 N 0.54 -0.94 0.30 0.27 0.00 -1.13 -2.31 105.19 101.92 2nnn n GLY 91 Ca -0.03 0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 2nnn n GLY 91 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2nnn h ARG 92 N 0.00 1.03 -5.88 1.61 3.08 -2.00 -3.44 114.38 108.78 2nnn h ARG 92 Ca 0.00 -0.21 -0.63 0.00 0.07 0.00 0.00 59.98 59.20 2nnn h ARG 92 Cb 0.20 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.05 2nnn h ARG 92 CO 0.00 0.89 -0.50 -0.98 -1.07 0.00 0.00 179.97 178.30 2nnn s ARG 93 N -5.44 3.40 -0.08 0.04 1.70 -0.98 -5.03 118.95 112.56 2nnn s ARG 93 Ca -0.12 -0.40 -0.04 0.00 -0.47 0.00 0.00 55.73 54.70 2nnn s ARG 93 Cb 0.14 -3.05 -0.04 0.00 -0.57 0.00 0.00 34.95 31.43 2nnn s ARG 93 CO 0.82 0.64 0.11 -0.51 -1.08 0.00 0.00 175.30 175.28 2nnn s LEU 94 N -2.19 4.16 -0.05 -1.89 1.43 -1.26 -1.26 118.68 117.62 2nnn s LEU 94 Ca 0.30 0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 2nnn s LEU 94 Cb -0.13 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 2nnn s LEU 94 CO 0.23 0.36 -0.02 -0.76 0.23 0.00 0.00 176.35 176.39 2nnn s LEU 95 N -1.24 3.43 -0.16 1.79 1.02 0.19 -4.66 118.68 119.04 2nnn s LEU 95 Ca 0.18 0.03 -0.13 0.00 0.02 0.00 0.00 54.13 54.23 2nnn s LEU 95 Cb -0.12 -1.85 -0.05 0.00 0.02 0.00 0.00 46.19 44.20 2nnn s LEU 95 CO 0.07 0.34 0.26 -0.69 0.02 0.00 0.00 176.35 176.35 2nnn s VAL 96 N -0.94 5.33 0.29 -1.59 1.01 0.77 -1.60 120.40 123.67 2nnn s VAL 96 Ca 0.15 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.61 2nnn s VAL 96 Cb -0.11 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 2nnn s VAL 96 CO 0.05 0.41 0.31 -0.94 0.00 0.00 0.00 175.10 174.93 2nnn s SER 97 N 0.36 0.85 0.42 3.32 1.04 -0.53 -0.43 113.70 118.73 2nnn s SER 97 Ca 0.15 -1.49 -0.24 0.00 0.48 0.00 0.00 55.95 54.84 2nnn s SER 97 Cb -0.13 0.54 -0.08 0.00 0.10 0.00 0.00 66.02 66.45 2nnn s SER 97 CO 0.03 -1.07 1.19 -0.76 0.98 0.00 0.00 173.24 173.60 2nnn s LEU 98 N -3.24 4.12 0.49 2.42 1.02 -1.26 -0.48 118.68 121.76 2nnn s LEU 98 Ca 0.35 2.38 -0.12 0.00 0.02 0.00 0.00 54.13 56.77 2nnn s LEU 98 Cb 0.03 -4.09 -0.06 0.00 0.02 0.00 0.00 46.19 42.09 2nnn s LEU 98 CO 0.19 -0.80 0.89 -0.94 0.02 0.00 0.00 176.35 175.71 2nnn s SER 99 N -1.16 6.45 0.37 2.29 1.04 -0.63 -4.52 113.70 117.53 2nnn s SER 99 Ca 0.60 1.29 0.14 0.00 0.48 0.00 0.00 55.95 58.46 2nnn s SER 99 Cb -0.31 -2.40 0.99 0.00 0.10 0.00 0.00 66.02 64.41 2nnn s SER 99 CO 0.39 -0.58 1.79 1.55 0.98 0.00 0.00 173.24 177.36 2nnn h PRO 100 N 0.67 0.49 -0.81 4.02 0.13 -1.91 0.41 132.00 134.99 2nnn h PRO 100 Ca -0.46 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 64.66 2nnn h PRO 100 Cb 1.19 -0.11 -0.05 0.00 0.13 0.00 0.00 31.00 32.16 2nnn h PRO 100 CO 0.62 0.32 0.53 0.00 -0.23 0.00 0.00 178.00 179.25 2nnn h ALA 101 N 1.63 1.06 -0.68 -0.56 0.00 -1.90 -0.64 119.26 118.17 2nnn h ALA 101 Ca 0.57 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.36 2nnn h ALA 101 Cb 1.26 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2nnn h ALA 101 CO -0.30 0.38 0.13 0.78 0.00 0.00 0.00 179.25 180.23 2nnn h GLY 102 N 1.04 1.19 1.16 0.00 0.00 -0.42 -1.94 103.07 104.11 2nnn h GLY 102 Ca 0.32 -0.78 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 2nnn h GLY 102 CO -0.10 0.72 0.37 -0.09 0.00 0.00 0.00 176.54 177.45 2nnn h ARG 103 N 1.04 1.09 -0.31 4.80 9.65 -0.51 -2.15 114.38 127.99 2nnn h ARG 103 Ca 0.21 -0.15 -0.16 0.00 -1.10 0.00 0.00 59.98 58.78 2nnn h ARG 103 Cb 0.42 -0.20 -0.00 0.00 -1.39 0.00 0.00 29.97 28.79 2nnn h ARG 103 CO 0.01 0.84 -0.43 0.00 2.80 0.00 0.00 179.97 183.18 2nnn h ALA 104 N 1.32 0.47 0.00 2.80 0.00 -1.01 -2.91 119.26 119.93 2nnn h ALA 104 Ca 0.27 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 2nnn h ALA 104 Cb 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2nnn h ALA 104 CO -0.04 0.60 -0.33 1.49 0.00 0.00 0.00 179.25 180.98 2nnn h GLU 105 N 0.62 0.00 0.13 0.00 4.81 -1.18 -2.17 114.58 116.78 2nnn h GLU 105 Ca 0.03 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2nnn h GLU 105 Cb 1.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.42 2nnn h GLU 105 CO 0.10 0.33 -0.06 1.25 -0.73 0.00 0.00 179.01 179.90 2nnn h LEU 106 N 0.00 -0.15 -0.67 1.64 5.85 -1.34 -2.48 115.31 118.16 2nnn h LEU 106 Ca -0.00 -0.31 -0.08 0.00 0.84 0.00 0.00 57.88 58.32 2nnn h LEU 106 Cb 0.59 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 2nnn h LEU 106 CO 0.04 0.26 0.10 -0.33 -0.34 0.00 0.00 178.44 178.17 2nnn h GLU 107 N -0.58 1.12 -0.30 1.25 4.39 -1.41 -2.25 114.58 116.80 2nnn h GLU 107 Ca -0.02 -0.30 -0.03 0.00 0.34 0.00 0.00 59.36 59.35 2nnn h GLU 107 Cb 0.45 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 2nnn h GLU 107 CO 0.03 1.03 0.06 0.00 -1.16 0.00 0.00 179.01 178.96 2nnn h ALA 108 N 1.05 1.55 -0.02 3.43 0.00 -1.47 -3.22 119.26 120.58 2nnn h ALA 108 Ca 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2nnn h ALA 108 Cb 0.45 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2nnn h ALA 108 CO 0.01 0.34 -0.32 0.41 0.00 0.00 0.00 179.25 179.69 2nnn n GLY 109 N -1.11 0.09 0.14 0.00 0.00 -0.93 -4.40 105.19 98.97 2nnn n GLY 109 Ca 0.01 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 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 2.61 0.35 -0.59 0.99 3.38 -1.43 -1.72 115.31 118.90 2nnn h LEU 110 Ca 0.00 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.97 2nnn h LEU 110 Cb 0.74 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 2nnn h LEU 110 CO 0.00 0.29 0.34 0.00 0.09 0.00 0.00 178.44 179.16 2nnn h ALA 111 N 1.08 0.77 -0.14 1.53 0.00 -1.79 0.04 119.26 120.75 2nnn h ALA 111 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2nnn h ALA 111 Cb -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2nnn h ALA 111 CO -0.02 0.05 0.09 0.00 0.00 0.00 0.00 179.25 179.37 2nnn h ALA 112 N 1.28 0.18 -0.61 0.00 0.00 -1.76 -0.92 119.26 117.43 2nnn h ALA 112 Ca 0.25 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 2nnn h ALA 112 Cb 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2nnn h ALA 112 CO -0.13 -0.32 0.07 0.00 0.00 0.00 0.00 179.25 178.87 2nnn h ALA 113 N 1.03 0.81 -0.81 0.00 0.00 -1.12 0.17 119.26 119.34 2nnn h ALA 113 Ca 0.05 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.70 2nnn h ALA 113 Cb 0.01 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 2nnn h ALA 113 CO -0.01 0.59 0.54 -0.09 0.00 0.00 0.00 179.25 180.28 2nnn h ARG 114 N 0.93 1.05 -0.13 0.00 2.43 -0.88 -0.90 114.38 116.89 2nnn h ARG 114 Ca 0.18 -0.06 -0.21 0.00 -0.81 0.00 0.00 59.98 59.08 2nnn h ARG 114 Cb 0.47 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2nnn h ARG 114 CO 0.02 0.69 -0.76 1.49 -1.51 0.00 0.00 179.97 179.90 2nnn h GLU 115 N 1.08 0.65 -0.58 0.20 4.57 -0.68 -2.74 114.58 117.07 2nnn h GLU 115 Ca 0.30 -0.53 0.08 0.00 -1.18 0.00 0.00 59.36 58.03 2nnn h GLU 115 Cb -0.10 0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 28.54 2nnn h GLU 115 CO -0.07 1.15 0.24 0.82 -1.18 0.00 0.00 179.01 179.96 2nnn h ILE 116 N 0.44 0.82 -0.30 2.32 1.08 -0.34 -2.15 117.51 119.38 2nnn h ILE 116 Ca -0.04 -0.15 -0.01 0.00 -0.39 0.00 0.00 64.86 64.27 2nnn h ILE 116 Cb 1.37 0.35 -0.01 0.00 -3.07 0.00 0.00 36.82 35.45 2nnn h ILE 116 CO 0.15 0.08 0.16 0.78 -0.69 0.00 0.00 178.15 178.62 2nnn h ASN 117 N 0.43 0.39 -0.20 1.72 2.35 -1.12 -1.20 115.58 117.95 2nnn h ASN 117 Ca 0.29 -0.10 -0.10 0.00 -0.55 0.00 0.00 56.30 55.83 2nnn h ASN 117 Cb 0.32 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 2nnn h ASN 117 CO -0.27 0.38 -0.20 0.08 -1.65 0.00 0.00 177.43 175.78 2nnn h ARG 118 N 0.37 0.64 -0.59 0.81 0.11 -1.33 -2.16 114.38 112.22 2nnn h ARG 118 Ca 0.11 -0.23 0.01 0.00 0.10 0.00 0.00 59.98 59.96 2nnn h ARG 118 Cb 0.09 -0.04 -0.03 0.00 1.11 0.00 0.00 29.97 31.10 2nnn h ARG 118 CO -0.02 0.79 0.39 1.96 0.10 0.00 0.00 179.97 183.20 2nnn h GLN 119 N 0.57 0.77 -0.79 0.08 4.20 -1.29 0.30 115.11 118.95 2nnn h GLN 119 Ca 0.09 -0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.84 2nnn h GLN 119 Cb 0.65 -0.17 -0.07 0.00 0.30 0.00 0.00 27.48 28.19 2nnn h GLN 119 CO 0.05 0.51 0.45 0.00 -0.67 0.00 0.00 178.83 179.17 2nnn h ALA 120 N 1.22 1.10 -0.26 3.87 0.00 -0.87 -2.44 119.26 121.88 2nnn h ALA 120 Ca 0.22 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2nnn h ALA 120 Cb -0.09 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2nnn h ALA 120 CO -0.05 0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.58 2nnn n LEU 121 N -4.75 2.71 -0.35 0.00 4.77 -0.84 -4.56 117.00 113.98 2nnn n LEU 121 Ca 0.12 -1.12 0.04 0.00 -0.03 0.00 0.00 56.01 55.02 2nnn n LEU 121 Cb 0.25 -0.16 0.20 0.00 -2.33 0.00 0.00 43.42 41.37 2nnn n LEU 121 CO 0.27 0.56 1.22 0.00 -1.33 0.00 0.00 177.39 178.12 2nnn h ALA 122 N 4.37 1.38 0.00 -1.18 0.00 0.12 -1.70 119.26 122.25 2nnn h ALA 122 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2nnn h ALA 122 Cb 0.79 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2nnn h ALA 122 CO 0.00 0.27 0.00 -2.30 0.00 0.00 0.00 179.25 177.22 2nnn n PRO 123 N -4.61 0.05 -4.51 0.00 -0.02 -1.26 -4.69 135.00 119.97 2nnn n PRO 123 Ca 0.16 0.54 -0.34 0.00 -2.02 0.00 0.00 63.50 61.84 2nnn n PRO 123 Cb 0.27 -1.67 -0.10 0.00 -0.02 0.00 0.00 33.50 31.98 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 -3.57 3.36 0.71 2.45 1.02 -0.64 -5.11 118.68 116.90 2nnn s LEU 124 Ca -0.01 0.06 -0.16 0.00 0.02 0.00 0.00 54.13 54.04 2nnn s LEU 124 Cb 0.03 -1.75 0.03 0.00 0.02 0.00 0.00 46.19 44.51 2nnn s LEU 124 CO 0.08 0.37 1.22 -0.94 0.02 0.00 0.00 176.35 177.10 2nnn s SER 125 N -0.84 4.33 0.61 2.29 1.04 -1.26 -4.73 113.70 115.14 2nnn s SER 125 Ca 0.13 2.40 0.33 0.00 0.48 0.00 0.00 55.95 59.28 2nnn s SER 125 Cb -0.11 -2.59 1.94 0.00 0.10 0.00 0.00 66.02 65.35 2nnn s SER 125 CO 0.02 -2.18 2.24 -0.07 0.98 0.00 0.00 173.24 174.24 2nnn h LEU 126 N -0.09 0.00 0.05 2.42 3.38 -1.97 0.23 115.31 119.33 2nnn h LEU 126 Ca -0.48 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.24 2nnn h LEU 126 Cb 1.30 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.07 2nnn h LEU 126 CO 0.51 0.00 -1.01 1.56 0.09 0.00 0.00 178.44 179.58 2nnn h GLN 127 N 0.00 0.60 0.00 1.13 1.08 -2.00 -3.05 115.11 112.87 2nnn h GLN 127 Ca 0.02 -0.71 -0.08 0.00 -1.45 0.00 0.00 58.65 56.42 2nnn h GLN 127 Cb 0.12 0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 2nnn h GLN 127 CO -0.00 1.30 -0.39 0.93 -0.95 0.00 0.00 178.83 179.72 2nnn h GLU 128 N 0.22 0.00 -0.46 1.46 5.08 -1.39 -2.15 114.58 117.33 2nnn h GLU 128 Ca -0.14 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.14 2nnn h GLU 128 Cb 1.69 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.93 2nnn h GLU 128 CO 0.20 0.39 -0.03 1.96 -1.00 0.00 0.00 179.01 180.52 2nnn h GLN 129 N 0.00 0.83 -0.34 2.33 4.20 -0.69 -0.89 115.11 120.55 2nnn h GLN 129 Ca -0.00 -0.28 -0.06 0.00 0.06 0.00 0.00 58.65 58.36 2nnn h GLN 129 Cb 0.84 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 2nnn h GLN 129 CO 0.05 0.90 -0.04 0.93 -0.67 0.00 0.00 178.83 180.00 2nnn h GLU 130 N 0.68 0.62 -0.07 1.46 5.08 -1.43 -0.40 114.58 120.51 2nnn h GLU 130 Ca 0.13 -0.22 0.04 0.00 -1.00 0.00 0.00 59.36 58.30 2nnn h GLU 130 Cb 0.55 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.71 2nnn h GLU 130 CO 0.03 0.77 -0.20 1.15 -1.00 0.00 0.00 179.01 179.76 2nnn h THR 131 N 0.41 0.52 -0.12 1.13 2.02 -1.36 -1.43 112.91 114.08 2nnn h THR 131 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.27 2nnn h THR 131 Cb 0.52 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 2nnn h THR 131 CO 0.03 0.00 0.08 0.25 0.37 0.00 0.00 175.52 176.24 2nnn h LEU 132 N -0.28 0.14 -0.81 2.58 5.85 -1.09 -0.86 115.31 120.84 2nnn h LEU 132 Ca 0.08 -0.02 0.15 0.00 0.84 0.00 0.00 57.88 58.94 2nnn h LEU 132 Cb 0.39 -0.03 -0.10 0.00 0.37 0.00 0.00 40.66 41.29 2nnn h LEU 132 CO -0.23 0.11 0.36 0.03 -0.34 0.00 0.00 178.44 178.37 2nnn h ARG 133 N 0.15 0.49 0.03 1.25 3.08 -0.88 0.23 114.38 118.72 2nnn h ARG 133 Ca 0.04 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2nnn h ARG 133 Cb -0.00 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.94 2nnn h ARG 133 CO -0.01 0.32 -0.01 0.78 -1.07 0.00 0.00 179.97 179.98 2nnn h GLY 134 N 0.50 -0.04 -0.78 0.04 0.00 -0.88 -2.38 103.07 99.52 2nnn h GLY 134 Ca 0.45 0.02 0.10 0.00 0.00 0.00 0.00 47.33 47.90 2nnn h GLY 134 CO -0.41 -0.02 -0.50 1.41 0.00 0.00 0.00 176.54 177.03 2nnn h LEU 135 N -0.04 -1.78 -1.50 3.11 4.07 -1.02 -1.51 115.31 116.63 2nnn h LEU 135 Ca -0.00 0.29 0.07 0.00 0.08 0.00 0.00 57.88 58.32 2nnn h LEU 135 Cb 0.03 0.81 -0.04 0.00 1.08 0.00 0.00 40.66 42.54 2nnn h LEU 135 CO 0.01 -0.29 0.43 0.25 -1.08 0.00 0.00 178.44 177.75 2nnn h LEU 136 N -0.12 0.53 -1.46 1.67 6.46 -0.66 -2.34 115.31 119.39 2nnn h LEU 136 Ca 0.19 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.90 2nnn h LEU 136 Cb 0.52 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.33 2nnn h LEU 136 CO -0.84 0.34 -0.27 0.00 -0.62 0.00 0.00 178.44 177.05 2nnn h ALA 137 N 1.66 1.37 0.00 1.25 0.00 -0.72 -0.70 119.26 122.13 2nnn h ALA 137 Ca 0.28 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2nnn h ALA 137 Cb 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2nnn h ALA 137 CO -0.09 0.34 0.00 0.54 0.00 0.00 0.00 179.25 180.04 2nnn n ARG 138 N -3.96 0.14 -0.15 0.00 5.12 -0.88 -2.97 116.66 113.96 2nnn n ARG 138 Ca -0.02 0.35 0.10 0.00 -1.93 0.00 0.00 57.85 56.35 2nnn n ARG 138 Cb 0.35 -1.76 0.17 0.00 -1.16 0.00 0.00 32.46 30.06 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 -2.02 3.11 0.00 0.55 4.77 -0.27 -5.15 117.00 117.98 2nnn n LEU 139 Ca 0.03 -1.49 0.00 0.00 -0.03 0.00 0.00 56.01 54.52 2nnn n LEU 139 Cb 0.23 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2nnn n LEU 139 CO 0.19 0.68 0.20 -0.38 -1.33 0.00 0.00 177.39 176.75