#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nnf h TRP 2 N 0.00 0.33 -0.38 0.66 2.91 -2.05 0.38 115.95 117.80 2nnf h TRP 2 Ca 0.00 0.03 0.02 0.00 1.13 0.00 0.00 58.89 60.07 2nnf h TRP 2 Cb 0.00 -0.05 -0.03 0.00 -0.51 0.00 0.00 29.16 28.57 2nnf h TRP 2 CO 0.00 0.04 0.21 0.66 -1.03 0.00 0.00 178.44 178.32 2nnf h SER 3 N 0.35 0.34 -0.18 2.65 4.64 -2.06 -1.49 113.55 117.81 2nnf h SER 3 Ca 0.32 0.01 0.02 0.00 -0.47 0.00 0.00 61.79 61.67 2nnf h SER 3 Cb 0.45 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 2nnf h SER 3 CO -0.36 0.24 0.04 -0.33 -0.87 0.00 0.00 176.83 175.56 2nnf h GLU 4 N 0.43 0.12 -0.98 4.77 3.07 -1.73 -1.54 114.58 118.71 2nnf h GLU 4 Ca 0.15 -0.01 0.10 0.00 -0.50 0.00 0.00 59.36 59.10 2nnf h GLU 4 Cb 0.02 -0.03 -0.07 0.00 -0.84 0.00 0.00 28.75 27.83 2nnf h GLU 4 CO -0.08 0.08 0.63 0.87 -1.40 0.00 0.00 179.01 179.10 2nnf h LYS 5 N 0.12 1.00 -0.55 2.33 1.57 -0.01 0.10 116.57 121.14 2nnf h LYS 5 Ca 0.08 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 2nnf h LYS 5 Cb 0.07 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 2nnf h LYS 5 CO -0.10 0.66 -0.11 0.00 -0.57 0.00 0.00 179.45 179.34 2nnf h ALA 6 N 1.52 0.77 -0.14 3.86 0.00 -0.76 -1.15 119.26 123.35 2nnf h ALA 6 Ca 0.46 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 2nnf h ALA 6 Cb 0.37 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2nnf h ALA 6 CO -0.22 0.67 -0.43 0.35 0.00 0.00 0.00 179.25 179.63 2nnf h PHE 7 N 0.92 0.71 -0.06 0.00 3.57 -0.51 -1.74 116.94 119.83 2nnf h PHE 7 Ca 0.14 -0.28 -0.08 0.00 3.53 0.00 0.00 57.97 61.28 2nnf h PHE 7 Cb 0.68 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 2nnf h PHE 7 CO 0.05 1.04 -0.34 0.66 -2.23 0.00 0.00 178.31 177.49 2nnf h SER 8 N 0.17 0.12 -0.71 0.41 4.64 -0.84 -0.27 113.55 117.07 2nnf h SER 8 Ca -0.01 -0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.20 2nnf h SER 8 Cb 1.05 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 63.08 2nnf h SER 8 CO 0.09 0.45 0.20 0.00 -0.87 0.00 0.00 176.83 176.70 2nnf h ALA 9 N 1.56 0.94 0.05 5.18 0.00 -1.19 -2.26 119.26 123.54 2nnf h ALA 9 Ca 0.01 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2nnf h ALA 9 Cb 0.65 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2nnf h ALA 9 CO 0.05 0.64 -0.03 1.03 0.00 0.00 0.00 179.25 180.95 2nnf h SER 10 N 1.07 -0.06 -0.50 0.00 0.87 -0.45 -2.64 113.55 111.84 2nnf h SER 10 Ca 0.23 -0.11 0.10 0.00 -1.23 0.00 0.00 61.79 60.78 2nnf h SER 10 Cb 0.34 0.02 -0.10 0.00 -0.44 0.00 0.00 62.40 62.22 2nnf h SER 10 CO -0.00 0.08 -0.15 0.11 -0.53 0.00 0.00 176.83 176.34 2nnf h LYS 11 N -0.19 -0.03 -0.18 2.24 1.57 -1.03 -2.70 116.57 116.25 2nnf h LYS 11 Ca -0.01 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 2nnf h LYS 11 Cb 0.17 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 2nnf h LYS 11 CO 0.01 -0.02 -0.04 1.25 -0.57 0.00 0.00 179.45 180.08 2nnf h LEU 12 N -0.03 -0.16 -0.99 2.94 5.85 -1.27 -1.20 115.31 120.46 2nnf h LEU 12 Ca 0.24 0.05 0.04 0.00 0.84 0.00 0.00 57.88 59.05 2nnf h LEU 12 Cb 0.39 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 2nnf h LEU 12 CO -0.53 -0.06 0.65 0.44 -0.34 0.00 0.00 178.44 178.60 2nnf h ASP 13 N 0.00 1.08 -0.46 1.25 3.32 -1.27 -1.44 116.42 118.89 2nnf h ASP 13 Ca 0.09 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 2nnf h ASP 13 Cb 0.13 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 2nnf h ASP 13 CO -0.18 0.74 0.01 0.44 -1.72 0.00 0.00 179.24 178.52 2nnf h ASP 14 N 1.25 0.79 -0.36 6.45 3.32 -1.13 -1.58 116.42 125.17 2nnf h ASP 14 Ca 0.39 -0.30 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 2nnf h ASP 14 Cb -0.00 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 2nnf h ASP 14 CO -0.12 0.90 0.01 0.00 -1.72 0.00 0.00 179.24 178.30 2nnf h ALA 15 N 0.92 1.18 -0.17 3.45 0.00 -0.85 0.26 119.26 124.04 2nnf h ALA 15 Ca 0.13 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2nnf h ALA 15 Cb 0.49 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2nnf h ALA 15 CO 0.02 0.54 -0.08 0.82 0.00 0.00 0.00 179.25 180.55 2nnf h ILE 16 N 0.68 1.31 -0.80 0.00 2.04 -1.23 -2.46 117.51 117.04 2nnf h ILE 16 Ca 0.14 -1.12 0.09 0.00 1.00 0.00 0.00 64.86 64.96 2nnf h ILE 16 Cb 0.41 1.69 -0.07 0.00 -0.74 0.00 0.00 36.82 38.11 2nnf h ILE 16 CO 0.02 0.33 0.46 0.00 0.00 0.00 0.00 178.15 178.96 2nnf h ALA 17 N 0.69 1.13 0.00 1.87 0.00 -1.00 -0.31 119.26 121.63 2nnf h ALA 17 Ca 0.04 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2nnf h ALA 17 Cb 0.55 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2nnf h ALA 17 CO 0.02 0.10 -0.08 0.00 0.00 0.00 0.00 179.25 179.29 2nnf h ALA 18 N 1.43 1.73 0.01 0.00 0.00 -0.29 -0.37 119.26 121.78 2nnf h ALA 18 Ca 0.38 -0.08 -0.38 0.00 0.00 0.00 0.00 54.91 54.83 2nnf h ALA 18 Cb 0.32 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 2nnf h ALA 18 CO -0.23 0.10 -2.13 1.17 0.00 0.00 0.00 179.25 178.16 2nnf n LYS 19 N -4.25 0.61 -0.05 0.00 3.00 -0.79 -4.68 118.16 112.00 2nnf n LYS 19 Ca -0.03 0.34 -0.03 0.00 -0.00 0.00 0.00 58.31 58.59 2nnf n LYS 19 Cb 0.16 -1.59 -0.11 0.00 0.00 0.00 0.00 35.03 33.50 2nnf n LYS 19 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2nnf n PHE 20 N -4.10 0.00 0.00 5.64 3.72 -0.20 -5.11 117.46 117.42 2nnf n PHE 20 Ca -0.45 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 56.95 2nnf n PHE 20 Cb 0.86 -0.58 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 2nnf n PHE 20 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2nnf n GLY 21 N 2.03 -1.28 3.13 1.37 0.00 -0.15 -4.71 105.19 105.59 2nnf n GLY 21 Ca -0.17 -2.08 -0.43 0.00 0.00 0.00 0.00 46.02 43.33 2nnf n GLY 21 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2nnf n SER 22 N 0.00 5.58 -4.79 1.61 7.64 -1.26 -4.13 113.62 118.26 2nnf n SER 22 Ca 0.00 -3.15 -0.34 0.00 1.01 0.00 0.00 58.87 56.39 2nnf n SER 22 Cb 0.00 -1.42 -0.07 0.00 -1.01 0.00 0.00 64.21 61.71 2nnf n SER 22 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2nnf s LEU 23 N -0.72 3.96 0.34 -3.43 1.43 -1.26 -5.07 118.68 113.93 2nnf s LEU 23 Ca 0.36 0.22 -0.29 0.00 -1.03 0.00 0.00 54.13 53.39 2nnf s LEU 23 Cb 0.02 -2.19 -0.11 0.00 0.03 0.00 0.00 46.19 43.95 2nnf s LEU 23 CO 0.02 0.31 1.43 -2.84 0.23 0.00 0.00 176.35 175.50 2nnf s PRO 24 N -1.48 4.22 -0.02 1.29 0.02 -1.26 -4.84 135.00 132.92 2nnf s PRO 24 Ca 0.20 2.41 0.07 0.00 0.02 0.00 0.00 61.00 63.70 2nnf s PRO 24 Cb -0.12 -3.03 -0.02 0.00 0.02 0.00 0.00 34.50 31.36 2nnf s PRO 24 CO 0.11 -0.41 -0.21 -1.50 -0.33 0.00 0.00 177.00 174.66 2nnf s ILE 25 N -0.87 1.68 0.21 2.83 2.07 -1.26 -2.43 121.20 123.43 2nnf s ILE 25 Ca 0.53 -0.91 0.03 0.00 -1.41 0.00 0.00 60.65 58.89 2nnf s ILE 25 Cb -0.44 -1.40 -0.05 0.00 0.13 0.00 0.00 42.46 40.71 2nnf s ILE 25 CO 0.55 0.48 -0.01 0.00 -1.91 0.00 0.00 174.94 174.05 2nnf s GLN 26 N -0.49 1.26 0.12 3.50 -2.07 -0.75 -5.02 119.66 116.21 2nnf s GLN 26 Ca 0.08 -1.62 -0.19 0.00 -1.82 0.00 0.00 55.36 51.80 2nnf s GLN 26 Cb -0.08 -0.52 -0.07 0.00 -1.09 0.00 0.00 33.01 31.25 2nnf s GLN 26 CO -0.01 -0.10 0.61 -1.21 -1.32 0.00 0.00 175.29 173.27 2nnf s GLU 27 N -3.87 4.21 -0.00 9.60 0.41 -1.26 -0.25 118.70 127.53 2nnf s GLU 27 Ca 0.27 0.76 0.01 0.00 -0.41 0.00 0.00 54.97 55.60 2nnf s GLU 27 Cb 0.06 -3.13 -0.00 0.00 -1.78 0.00 0.00 34.13 29.27 2nnf s GLU 27 CO 0.07 0.57 -0.05 0.45 -0.49 0.00 0.00 175.26 175.81 2nnf s SER 28 N -1.31 0.57 0.00 -0.19 0.15 -0.56 -4.80 113.70 107.56 2nnf s SER 28 Ca 0.33 -0.09 0.28 0.00 0.70 0.00 0.00 55.95 57.18 2nnf s SER 28 Cb -0.19 -0.07 1.15 0.00 -1.71 0.00 0.00 66.02 65.20 2nnf s SER 28 CO 0.20 0.06 1.80 0.35 1.20 0.00 0.00 173.24 176.85 2nnf n THR 29 N 2.99 0.00 -0.19 6.45 -2.24 -1.26 -4.20 114.28 115.82 2nnf n THR 29 Ca -0.13 -0.21 -0.07 0.00 -2.27 0.00 0.00 64.05 61.37 2nnf n THR 29 Cb 0.58 0.37 0.15 0.00 -2.10 0.00 0.00 70.33 69.33 2nnf n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nnf n ALA 30 N -0.01 3.87 -3.78 6.98 0.00 -1.26 -4.73 120.51 121.58 2nnf n ALA 30 Ca 0.19 -1.42 -0.26 0.00 0.00 0.00 0.00 53.44 51.95 2nnf n ALA 30 Cb 0.32 -1.18 -0.17 0.00 0.00 0.00 0.00 19.45 18.42 2nnf n ALA 30 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2nnf s ILE 31 N -1.93 1.11 -0.20 0.00 1.01 -1.26 -2.50 121.20 117.42 2nnf s ILE 31 Ca 0.32 -0.38 -0.05 0.00 0.00 0.00 0.00 60.65 60.54 2nnf s ILE 31 Cb 0.26 -1.08 -0.02 0.00 0.01 0.00 0.00 42.46 41.62 2nnf s ILE 31 CO 0.07 0.37 0.00 -1.10 0.00 0.00 0.00 174.94 174.29 2nnf s GLN 32 N 1.36 3.62 -0.16 2.79 1.11 -0.08 -4.99 119.66 123.32 2nnf s GLN 32 Ca -0.01 -0.52 0.01 0.00 0.01 0.00 0.00 55.36 54.85 2nnf s GLN 32 Cb -0.14 -3.09 0.02 0.00 -1.01 0.00 0.00 33.01 28.79 2nnf s GLN 32 CO -0.05 0.00 -0.19 0.42 0.01 0.00 0.00 175.29 175.49 2nnf s ILE 33 N 1.03 1.89 -0.22 1.08 1.01 -1.26 -1.16 121.20 123.58 2nnf s ILE 33 Ca 0.02 -0.85 -0.02 0.00 0.00 0.00 0.00 60.65 59.80 2nnf s ILE 33 Cb -0.14 -1.72 0.00 0.00 0.01 0.00 0.00 42.46 40.61 2nnf s ILE 33 CO 0.02 0.51 -0.08 -0.54 0.00 0.00 0.00 174.94 174.85 2nnf s LYS 34 N 1.22 3.20 0.06 2.79 1.02 0.34 -5.00 119.74 123.37 2nnf s LYS 34 Ca 0.02 -0.73 -0.12 0.00 0.02 0.00 0.00 55.97 55.16 2nnf s LYS 34 Cb -0.14 -2.91 0.01 0.00 -0.52 0.00 0.00 37.83 34.28 2nnf s LYS 34 CO -0.09 -0.23 0.25 0.00 -0.92 0.00 0.00 175.35 174.35 2nnf s ALA 35 N 1.41 -0.51 0.25 5.17 0.00 -1.26 -1.19 121.76 125.64 2nnf s ALA 35 Ca 0.05 -0.21 -0.29 0.00 0.00 0.00 0.00 51.96 51.50 2nnf s ALA 35 Cb -0.14 0.37 -0.15 0.00 0.00 0.00 0.00 23.12 23.20 2nnf s ALA 35 CO -0.06 -0.43 0.95 -2.30 0.00 0.00 0.00 175.76 173.92 2nnf n PRO 36 N 0.43 1.09 -0.02 0.00 -0.02 -1.26 -4.93 135.00 130.29 2nnf n PRO 36 Ca -0.18 0.38 -0.13 0.00 -2.02 0.00 0.00 63.50 61.56 2nnf n PRO 36 Cb 0.60 -1.71 -0.08 0.00 -0.02 0.00 0.00 33.50 32.29 2nnf n PRO 36 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2nnf h GLU 37 N 2.05 0.11 -6.65 -0.52 9.09 -1.92 -3.44 114.58 113.29 2nnf h GLU 37 Ca -0.38 -0.04 -0.65 0.00 0.05 0.00 0.00 59.36 58.33 2nnf h GLU 37 Cb 1.36 -0.01 -0.23 0.00 -1.65 0.00 0.00 28.75 28.22 2nnf h GLU 37 CO 0.61 0.44 -0.86 0.96 0.05 0.00 0.00 179.01 180.22 2nnf s ILE 38 N -4.73 2.07 0.10 -1.06 -0.00 -1.26 -2.15 121.20 114.17 2nnf s ILE 38 Ca -0.15 -1.58 -0.02 0.00 -0.00 0.00 0.00 60.65 58.90 2nnf s ILE 38 Cb 0.04 -1.82 -0.03 0.00 -0.00 0.00 0.00 42.46 40.64 2nnf s ILE 38 CO 0.69 0.13 0.06 0.00 -0.00 0.00 0.00 174.94 175.82 2nnf s ALA 39 N -1.00 0.57 0.56 2.27 0.00 -0.91 -5.00 121.76 118.25 2nnf s ALA 39 Ca 0.11 -1.25 -0.16 0.00 0.00 0.00 0.00 51.96 50.66 2nnf s ALA 39 Cb -0.10 0.62 -0.06 0.00 0.00 0.00 0.00 23.12 23.59 2nnf s ALA 39 CO 0.04 -0.46 1.02 -1.83 0.00 0.00 0.00 175.76 174.53 2nnf s GLU 40 N -3.98 3.64 -0.01 0.00 4.04 -1.26 -4.39 118.70 116.75 2nnf s GLU 40 Ca 0.16 1.06 -0.30 0.00 0.04 0.00 0.00 54.97 55.93 2nnf s GLU 40 Cb 0.07 -2.09 -0.08 0.00 0.02 0.00 0.00 34.13 32.06 2nnf s GLU 40 CO -0.04 -0.53 1.94 -0.80 -1.84 0.00 0.00 175.26 174.00 2nnf s ASN 41 N -3.00 6.37 -0.32 0.83 0.02 -1.26 -2.39 114.94 115.19 2nnf s ASN 41 Ca 0.61 2.51 0.00 0.00 -1.02 0.00 0.00 52.86 54.96 2nnf s ASN 41 Cb -0.13 -2.53 0.00 0.00 0.02 0.00 0.00 41.25 38.61 2nnf s ASN 41 CO 0.35 -1.14 0.00 0.61 0.02 0.00 0.00 177.10 176.94 2nnf n GLY 42 N 4.62 0.62 3.96 0.66 0.00 -0.79 -5.03 105.19 109.23 2nnf n GLY 42 Ca 0.21 -0.69 -0.22 0.00 0.00 0.00 0.00 46.02 45.31 2nnf n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nnf s ALA 43 N -2.07 3.79 -0.41 4.61 0.00 -1.00 -4.56 121.76 122.12 2nnf s ALA 43 Ca 0.00 -1.12 -0.26 0.00 0.00 0.00 0.00 51.96 50.58 2nnf s ALA 43 Cb 0.00 -2.12 0.02 0.00 0.00 0.00 0.00 23.12 21.02 2nnf s ALA 43 CO 0.00 -0.45 0.96 -0.06 0.00 0.00 0.00 175.76 176.20 2nnf s PHE 44 N -2.60 3.01 -0.33 0.00 0.40 -1.26 -2.35 117.98 114.85 2nnf s PHE 44 Ca 0.50 0.67 -0.14 0.00 -0.60 0.00 0.00 56.93 57.36 2nnf s PHE 44 Cb -0.10 -3.83 -0.02 0.00 0.51 0.00 0.00 43.02 39.58 2nnf s PHE 44 CO 0.38 -0.95 0.31 0.08 0.70 0.00 0.00 175.22 175.73 2nnf s VAL 45 N 3.67 5.22 0.10 -0.44 1.01 0.09 -4.82 120.40 125.23 2nnf s VAL 45 Ca 0.39 0.02 -0.31 0.00 0.00 0.00 0.00 61.98 62.09 2nnf s VAL 45 Cb -0.11 -3.75 -0.08 0.00 0.00 0.00 0.00 36.38 32.44 2nnf s VAL 45 CO 0.22 -0.01 1.40 -2.16 0.00 0.00 0.00 175.10 174.55 2nnf s PRO 46 N 1.91 4.31 -0.05 2.72 0.04 -1.26 -1.78 135.00 140.90 2nnf s PRO 46 Ca 0.10 2.07 0.04 0.00 0.04 0.00 0.00 61.00 63.24 2nnf s PRO 46 Cb -0.17 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.08 2nnf s PRO 46 CO 0.11 -0.46 -0.15 0.08 0.04 0.00 0.00 177.00 176.62 2nnf s VAL 47 N 1.29 1.31 -0.07 -0.36 1.01 0.08 -4.36 120.40 119.30 2nnf s VAL 47 Ca 0.65 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 62.03 2nnf s VAL 47 Cb -0.36 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 34.88 2nnf s VAL 47 CO 0.30 0.38 -0.17 -0.89 0.00 0.00 0.00 175.10 174.72 2nnf s THR 48 N 0.20 1.52 -0.08 3.92 2.01 -0.33 -1.68 115.64 121.20 2nnf s THR 48 Ca -0.07 -0.72 0.04 0.00 0.31 0.00 0.00 61.69 61.25 2nnf s THR 48 Cb -0.12 -1.33 0.00 0.00 0.01 0.00 0.00 72.50 71.06 2nnf s THR 48 CO 0.03 0.44 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.50 2nnf s VAL 49 N 0.37 1.73 0.18 3.82 1.01 -0.45 -0.51 120.40 126.55 2nnf s VAL 49 Ca -0.13 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.03 2nnf s VAL 49 Cb -0.15 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 2nnf s VAL 49 CO 0.05 0.49 0.03 0.00 0.00 0.00 0.00 175.10 175.66 2nnf s ALA 50 N 0.32 1.37 -0.06 5.51 0.00 -0.31 -1.35 121.76 127.24 2nnf s ALA 50 Ca -0.14 -1.63 -0.14 0.00 0.00 0.00 0.00 51.96 50.05 2nnf s ALA 50 Cb -0.16 0.68 0.03 0.00 0.00 0.00 0.00 23.12 23.66 2nnf s ALA 50 CO 0.06 -0.36 0.33 -0.08 0.00 0.00 0.00 175.76 175.71 2nnf s THR 51 N -3.72 0.04 -1.52 0.00 -1.32 -1.25 -0.90 115.64 106.97 2nnf s THR 51 Ca 0.27 -0.30 0.14 0.00 -1.21 0.00 0.00 61.69 60.59 2nnf s THR 51 Cb 0.06 -0.57 0.24 0.00 -1.51 0.00 0.00 72.50 70.72 2nnf s THR 51 CO 0.06 -0.16 1.12 -1.54 -2.21 0.00 0.00 174.62 171.88 2nnf n SER 52 N 1.86 2.63 -4.68 8.08 3.41 -1.04 -4.64 113.62 119.24 2nnf n SER 52 Ca -0.18 -1.78 -0.42 0.00 -0.26 0.00 0.00 58.87 56.23 2nnf n SER 52 Cb 0.57 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 2nnf n SER 52 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2nnf s ILE 53 N -1.10 2.95 0.08 -1.33 1.01 -1.26 -4.94 121.20 116.62 2nnf s ILE 53 Ca 0.22 0.30 -0.33 0.00 0.00 0.00 0.00 60.65 60.85 2nnf s ILE 53 Cb 0.13 -3.19 -0.16 0.00 0.01 0.00 0.00 42.46 39.25 2nnf s ILE 53 CO 0.19 -0.01 1.52 -0.65 0.00 0.00 0.00 174.94 175.99 2nnf h PRO 54 N 8.96 -0.88 -0.96 2.79 0.11 -1.98 -3.06 132.00 136.98 2nnf h PRO 54 Ca -0.44 0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.67 2nnf h PRO 54 Cb 1.21 0.20 -0.04 0.00 0.11 0.00 0.00 31.00 32.48 2nnf h PRO 54 CO 0.94 -0.59 0.08 0.41 -0.21 0.00 0.00 178.00 178.63 2nnf n GLY 55 N -1.52 2.21 3.65 -0.55 0.00 -1.26 -3.40 105.19 104.32 2nnf n GLY 55 Ca -0.11 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 2nnf n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nnf s ALA 56 N -1.03 3.46 -0.28 4.61 0.00 -1.16 -4.12 121.76 123.24 2nnf s ALA 56 Ca 0.12 0.79 0.05 0.00 0.00 0.00 0.00 51.96 52.92 2nnf s ALA 56 Cb 0.10 -3.80 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 2nnf s ALA 56 CO 0.03 -1.65 0.26 0.25 0.00 0.00 0.00 175.76 174.65 2nnf n THR 57 N 5.89 0.00 -3.72 0.00 -2.24 -0.44 -4.26 114.28 109.52 2nnf n THR 57 Ca 0.18 -0.40 -0.12 0.00 -2.27 0.00 0.00 64.05 61.45 2nnf n THR 57 Cb 0.44 1.01 -0.11 0.00 -2.10 0.00 0.00 70.33 69.57 2nnf n THR 57 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2nnf s ASN 58 N -1.33 -0.44 -0.17 3.42 3.84 -1.19 -1.88 114.94 117.18 2nnf s ASN 58 Ca 0.02 0.79 0.01 0.00 0.21 0.00 0.00 52.86 53.89 2nnf s ASN 58 Cb 0.04 0.71 0.02 0.00 -0.55 0.00 0.00 41.25 41.46 2nnf s ASN 58 CO 0.18 -0.17 -0.19 -0.63 -2.79 0.00 0.00 177.10 173.50 2nnf s ILE 59 N 1.02 2.00 0.02 -5.21 1.01 0.13 -1.07 121.20 119.11 2nnf s ILE 59 Ca -0.07 -0.91 0.08 0.00 0.00 0.00 0.00 60.65 59.76 2nnf s ILE 59 Cb -0.07 -1.81 -0.02 0.00 0.01 0.00 0.00 42.46 40.57 2nnf s ILE 59 CO -0.08 0.53 -0.25 -0.44 0.00 0.00 0.00 174.94 174.70 2nnf s SER 60 N 1.28 2.97 -0.15 3.58 0.01 -0.42 0.33 113.70 121.30 2nnf s SER 60 Ca 0.04 -0.53 0.02 0.00 1.31 0.00 0.00 55.95 56.80 2nnf s SER 60 Cb -0.13 -0.29 0.01 0.00 0.21 0.00 0.00 66.02 65.82 2nnf s SER 60 CO -0.12 0.26 -0.22 -0.63 0.41 0.00 0.00 173.24 172.95 2nnf s ILE 61 N -0.71 2.07 -0.04 1.44 1.01 0.73 -1.40 121.20 124.29 2nnf s ILE 61 Ca 0.10 -0.97 0.06 0.00 0.00 0.00 0.00 60.65 59.84 2nnf s ILE 61 Cb -0.10 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.52 2nnf s ILE 61 CO 0.01 0.55 -0.22 -0.36 0.00 0.00 0.00 174.94 174.92 2nnf s PHE 62 N 0.88 2.47 -0.30 3.97 0.40 0.13 -0.78 117.98 124.75 2nnf s PHE 62 Ca -0.05 -0.38 0.02 0.00 -0.60 0.00 0.00 56.93 55.92 2nnf s PHE 62 Cb -0.15 -1.56 0.09 0.00 0.51 0.00 0.00 43.02 41.91 2nnf s PHE 62 CO -0.03 0.01 0.02 0.95 0.70 0.00 0.00 175.22 176.87 2nnf s THR 63 N -0.59 1.79 0.07 0.64 -4.23 0.21 -1.00 115.64 112.53 2nnf s THR 63 Ca 0.09 -1.81 0.28 0.00 -1.18 0.00 0.00 61.69 59.07 2nnf s THR 63 Cb -0.11 -2.22 0.32 0.00 1.34 0.00 0.00 72.50 71.83 2nnf s THR 63 CO 0.00 -0.45 1.88 1.55 -0.54 0.00 0.00 174.62 177.06 2nnf h PRO 64 N 7.81 0.00 0.13 3.99 0.13 -1.79 -2.84 132.00 139.44 2nnf h PRO 64 Ca -0.11 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.02 2nnf h PRO 64 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2nnf h PRO 64 CO 0.48 0.10 -0.06 0.00 -0.23 0.00 0.00 178.00 178.28 2nnf h ALA 65 N 1.90 -0.18 -2.90 -0.56 0.00 -1.88 -3.45 119.26 112.19 2nnf h ALA 65 Ca -0.00 -0.20 -0.55 0.00 0.00 0.00 0.00 54.91 54.17 2nnf h ALA 65 Cb 0.66 0.07 0.16 0.00 0.00 0.00 0.00 17.79 18.68 2nnf h ALA 65 CO 0.01 -0.40 0.46 -0.80 0.00 0.00 0.00 179.25 178.52 2nnf s ASN 66 N -5.39 4.42 0.19 0.00 0.01 -1.07 -4.91 114.94 108.19 2nnf s ASN 66 Ca -0.15 2.50 -0.13 0.00 -0.71 0.00 0.00 52.86 54.37 2nnf s ASN 66 Cb 0.02 -2.60 0.19 0.00 0.41 0.00 0.00 41.25 39.26 2nnf s ASN 66 CO 0.60 -2.12 1.70 0.15 -1.51 0.00 0.00 177.10 175.92 2nnf h PHE 67 N 0.17 0.06 -3.64 2.20 3.57 -1.90 -3.25 116.94 114.16 2nnf h PHE 67 Ca -0.49 0.03 -0.69 0.00 3.53 0.00 0.00 57.97 60.35 2nnf h PHE 67 Cb 1.32 0.05 -0.21 0.00 2.79 0.00 0.00 35.95 39.90 2nnf h PHE 67 CO 0.44 -0.06 -0.49 0.45 -2.23 0.00 0.00 178.31 176.42 2nnf s SER 68 N -5.28 5.92 0.15 0.41 0.15 -1.26 -5.01 113.70 108.78 2nnf s SER 68 Ca -0.13 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 55.91 2nnf s SER 68 Cb 0.16 -2.10 -0.06 0.00 -1.71 0.00 0.00 66.02 62.31 2nnf s SER 68 CO 0.72 -0.29 1.34 1.55 1.20 0.00 0.00 173.24 177.76 2nnf h PRO 69 N 8.48 0.25 -6.09 5.44 0.13 -1.75 -3.42 132.00 135.04 2nnf h PRO 69 Ca -0.30 -0.28 -0.58 0.00 -0.87 0.00 0.00 66.00 63.97 2nnf h PRO 69 Cb 1.14 0.08 -0.06 0.00 0.13 0.00 0.00 31.00 32.30 2nnf h PRO 69 CO 0.65 1.01 0.79 1.41 -0.23 0.00 0.00 178.00 181.64 2nnf s MET 70 N -3.16 4.27 -0.09 0.86 -2.45 -1.26 0.66 119.30 118.12 2nnf s MET 70 Ca -0.04 1.37 0.16 0.00 -1.25 0.00 0.00 55.69 55.93 2nnf s MET 70 Cb 0.10 -3.64 -0.24 0.00 1.25 0.00 0.00 34.83 32.30 2nnf s MET 70 CO 0.84 -0.62 0.23 0.28 1.05 0.00 0.00 175.02 176.80 2nnf n VAL 71 N 5.29 0.53 -3.60 10.11 0.31 0.04 -4.96 118.33 126.05 2nnf n VAL 71 Ca 0.12 -0.54 -0.12 0.00 -0.01 0.00 0.00 64.34 63.79 2nnf n VAL 71 Cb 0.46 -0.22 -0.06 0.00 -0.91 0.00 0.00 33.84 33.11 2nnf n VAL 71 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2nnf s ALA 72 N -2.82 -1.88 -0.02 3.52 0.00 -1.19 -5.00 121.76 114.37 2nnf s ALA 72 Ca -0.07 1.74 0.01 0.00 0.00 0.00 0.00 51.96 53.63 2nnf s ALA 72 Cb 0.08 -0.92 0.02 0.00 0.00 0.00 0.00 23.12 22.29 2nnf s ALA 72 CO 0.70 -0.30 -0.02 0.45 0.00 0.00 0.00 175.76 176.58 2nnf s SER 73 N -0.32 0.49 -0.22 0.00 0.15 -1.26 -0.19 113.70 112.34 2nnf s SER 73 Ca -0.02 -0.05 0.01 0.00 0.70 0.00 0.00 55.95 56.59 2nnf s SER 73 Cb -0.03 -0.19 0.05 0.00 -1.71 0.00 0.00 66.02 64.14 2nnf s SER 73 CO 0.01 -0.04 -0.10 0.12 1.20 0.00 0.00 173.24 174.42 2nnf s PHE 74 N 0.61 2.65 -0.13 3.44 5.36 0.15 -4.98 117.98 125.09 2nnf s PHE 74 Ca -0.06 -1.82 -0.10 0.00 -0.96 0.00 0.00 56.93 53.98 2nnf s PHE 74 Cb -0.10 -1.72 -0.05 0.00 -0.34 0.00 0.00 43.02 40.82 2nnf s PHE 74 CO -0.01 -0.79 0.20 -0.51 -1.46 0.00 0.00 175.22 172.66 2nnf s ASP 75 N 1.31 6.42 -0.00 6.13 1.01 -1.26 -0.69 116.67 129.59 2nnf s ASP 75 Ca -0.04 0.50 -0.19 0.00 0.71 0.00 0.00 52.55 53.54 2nnf s ASP 75 Cb -0.18 -2.12 0.03 0.00 1.01 0.00 0.00 42.92 41.67 2nnf s ASP 75 CO -0.07 0.29 0.40 0.54 0.21 0.00 0.00 175.17 176.54 2nnf s VAL 76 N -0.48 0.05 0.62 -1.27 0.11 -0.79 -5.00 120.40 113.64 2nnf s VAL 76 Ca 0.15 -0.39 -0.18 0.00 -2.93 0.00 0.00 61.98 58.62 2nnf s VAL 76 Cb -0.13 -0.78 -0.03 0.00 -1.53 0.00 0.00 36.38 33.92 2nnf s VAL 76 CO 0.04 -0.22 1.24 -0.76 -3.33 0.00 0.00 175.10 172.08 2nnf s LEU 77 N -1.50 3.63 0.71 2.54 1.43 -1.26 -4.43 118.68 119.81 2nnf s LEU 77 Ca -0.11 2.48 -0.12 0.00 -1.03 0.00 0.00 54.13 55.36 2nnf s LEU 77 Cb -0.03 -4.61 0.02 0.00 0.03 0.00 0.00 46.19 41.61 2nnf s LEU 77 CO 0.03 -1.77 1.08 -2.16 0.23 0.00 0.00 176.35 173.77 2nnf s PRO 78 N -3.36 2.65 -0.66 1.29 0.04 -1.26 -4.35 135.00 129.36 2nnf s PRO 78 Ca 0.80 1.13 -0.03 0.00 0.04 0.00 0.00 61.00 62.94 2nnf s PRO 78 Cb -0.33 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.26 2nnf s PRO 78 CO 0.36 -1.33 0.57 0.54 0.04 0.00 0.00 177.00 177.17 2nnf n ARG 79 N -3.10 -3.80 -0.10 4.56 1.74 -1.22 -4.96 116.66 109.79 2nnf n ARG 79 Ca 0.09 0.43 0.03 0.00 -0.77 0.00 0.00 57.85 57.63 2nnf n ARG 79 Cb 0.53 -4.22 0.05 0.00 -1.02 0.00 0.00 32.46 27.80 2nnf n ARG 79 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2nnf n MET 80 N -2.72 1.52 -4.01 5.56 2.81 -1.26 -5.04 117.12 113.98 2nnf n MET 80 Ca -0.05 -1.64 -0.35 0.00 -1.81 0.00 0.00 57.70 53.84 2nnf n MET 80 Cb 0.55 -1.02 -0.01 0.00 -0.71 0.00 0.00 33.22 32.03 2nnf n MET 80 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2nnf n LYS 81 N -0.67 -1.34 -2.30 0.03 4.01 -1.26 -4.84 118.16 111.79 2nnf n LYS 81 Ca 0.05 0.24 -0.39 0.00 -0.51 0.00 0.00 58.31 57.71 2nnf n LYS 81 Cb 0.49 -3.59 -0.02 0.00 -0.51 0.00 0.00 35.03 31.40 2nnf n LYS 81 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2nnf s PRO 82 N -6.90 4.18 -0.05 1.97 0.04 -1.26 -5.01 135.00 127.97 2nnf s PRO 82 Ca 0.26 1.88 -0.03 0.00 0.04 0.00 0.00 61.00 63.16 2nnf s PRO 82 Cb -0.13 -2.80 0.03 0.00 0.04 0.00 0.00 34.50 31.64 2nnf s PRO 82 CO 0.93 -0.22 0.12 -2.00 0.04 0.00 0.00 177.00 175.87 2nnf s GLU 83 N -2.11 0.09 -0.05 4.56 2.12 -1.26 -3.93 118.70 118.11 2nnf s GLU 83 Ca 0.54 0.28 0.02 0.00 0.36 0.00 0.00 54.97 56.18 2nnf s GLU 83 Cb -0.32 -0.11 0.01 0.00 0.26 0.00 0.00 34.13 33.97 2nnf s GLU 83 CO 0.41 -0.12 -0.11 0.08 -0.54 0.00 0.00 175.26 174.97 2nnf s VAL 84 N 0.81 1.05 0.08 3.70 1.01 -0.46 -5.00 120.40 121.59 2nnf s VAL 84 Ca -0.06 -0.45 0.09 0.00 0.00 0.00 0.00 61.98 61.55 2nnf s VAL 84 Cb -0.08 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 2nnf s VAL 84 CO -0.04 0.33 -0.23 -0.44 0.00 0.00 0.00 175.10 174.72 2nnf s SER 85 N 0.52 2.75 0.24 3.32 0.01 -1.26 -1.34 113.70 117.94 2nnf s SER 85 Ca -0.11 -0.62 -0.17 0.00 1.31 0.00 0.00 55.95 56.36 2nnf s SER 85 Cb -0.14 -0.20 0.01 0.00 0.21 0.00 0.00 66.02 65.90 2nnf s SER 85 CO 0.03 0.15 0.57 -1.48 0.41 0.00 0.00 173.24 172.91 2nnf s LEU 86 N -1.56 0.08 -0.09 2.44 0.05 -0.67 -5.02 118.68 113.90 2nnf s LEU 86 Ca 0.09 -0.72 0.02 0.00 0.05 0.00 0.00 54.13 53.57 2nnf s LEU 86 Cb -0.10 2.16 0.02 0.00 -2.05 0.00 0.00 46.19 46.22 2nnf s LEU 86 CO 0.03 -1.19 -0.13 0.00 -0.55 0.00 0.00 176.35 174.52 2nnf s ARG 87 N -3.95 1.86 -0.06 1.48 3.03 -1.26 -0.74 118.95 119.30 2nnf s ARG 87 Ca 0.16 -0.44 0.04 0.00 2.03 0.00 0.00 55.73 57.51 2nnf s ARG 87 Cb -0.02 -1.61 0.00 0.00 -1.03 0.00 0.00 34.95 32.28 2nnf s ARG 87 CO 0.06 -0.06 -0.17 0.00 -1.13 0.00 0.00 175.30 174.00 2nnf s MET 88 N 0.96 2.04 0.39 3.89 0.23 -0.73 -4.84 119.30 121.23 2nnf s MET 88 Ca -0.08 -0.60 -0.27 0.00 -1.03 0.00 0.00 55.69 53.71 2nnf s MET 88 Cb -0.15 -1.67 -0.09 0.00 -1.53 0.00 0.00 34.83 31.39 2nnf s MET 88 CO -0.00 0.15 1.33 -0.98 -2.03 0.00 0.00 175.02 173.49 2nnf s ARG 89 N 0.33 4.06 -0.13 3.16 1.70 -1.26 -0.73 118.95 126.09 2nnf s ARG 89 Ca -0.11 2.22 -0.04 0.00 -0.47 0.00 0.00 55.73 57.34 2nnf s ARG 89 Cb -0.15 -2.85 0.05 0.00 -0.57 0.00 0.00 34.95 31.43 2nnf s ARG 89 CO 0.04 -0.44 0.07 -1.64 -1.08 0.00 0.00 175.30 172.26 2nnf s MET 90 N -2.12 0.12 -0.02 3.89 -1.94 -0.99 -4.93 119.30 113.31 2nnf s MET 90 Ca 0.55 0.02 0.16 0.00 -1.71 0.00 0.00 55.69 54.71 2nnf s MET 90 Cb -0.40 -1.44 -0.19 0.00 2.01 0.00 0.00 34.83 34.81 2nnf s MET 90 CO 0.52 -0.55 0.64 0.00 -0.01 0.00 0.00 175.02 175.62 2nnf n ALA 91 N 5.25 1.79 -2.31 3.03 0.00 -1.26 -1.88 120.51 125.13 2nnf n ALA 91 Ca -0.06 -0.73 -0.08 0.00 0.00 0.00 0.00 53.44 52.57 2nnf n ALA 91 Cb 0.49 -0.80 -0.10 0.00 0.00 0.00 0.00 19.45 19.05 2nnf n ALA 91 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2nnf s LYS 92 N -2.80 0.55 0.01 0.00 -2.85 -1.26 -4.67 119.74 108.73 2nnf s LYS 92 Ca -0.05 -1.07 -0.31 0.00 -1.00 0.00 0.00 55.97 53.54 2nnf s LYS 92 Cb 0.08 0.19 -0.10 0.00 -2.06 0.00 0.00 37.83 35.95 2nnf s LYS 92 CO 0.82 -0.10 1.93 -2.37 0.10 0.00 0.00 175.35 175.73 2nnf n THR 93 N 0.44 0.65 -3.87 3.79 5.66 -1.26 -4.79 114.28 114.91 2nnf n THR 93 Ca -0.16 -0.12 -0.11 0.00 -3.05 0.00 0.00 64.05 60.61 2nnf n THR 93 Cb 0.60 -2.15 -0.09 0.00 -1.55 0.00 0.00 70.33 67.13 2nnf n THR 93 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 2nnf s GLU 94 N 4.08 0.58 -0.06 1.09 -1.05 -1.06 -4.98 118.70 117.29 2nnf s GLU 94 Ca 0.89 -0.52 -0.21 0.00 -0.15 0.00 0.00 54.97 54.99 2nnf s GLU 94 Cb -0.52 0.24 -0.04 0.00 -0.44 0.00 0.00 34.13 33.36 2nnf s GLU 94 CO 0.44 -0.15 0.60 -0.80 0.95 0.00 0.00 175.26 176.30 2nnf s ASN 95 N -1.72 6.89 -0.07 0.83 0.01 -1.26 -1.91 114.94 117.71 2nnf s ASN 95 Ca -0.10 1.06 -0.17 0.00 -0.71 0.00 0.00 52.86 52.94 2nnf s ASN 95 Cb -0.04 -2.36 -0.05 0.00 0.41 0.00 0.00 41.25 39.21 2nnf s ASN 95 CO -0.01 -0.02 0.45 -0.76 -1.51 0.00 0.00 177.10 175.26 2nnf s LEU 96 N 0.46 4.36 -0.17 0.60 1.43 0.62 -4.23 118.68 121.75 2nnf s LEU 96 Ca 0.32 0.88 0.01 0.00 -1.03 0.00 0.00 54.13 54.31 2nnf s LEU 96 Cb -0.17 -2.66 0.02 0.00 0.03 0.00 0.00 46.19 43.41 2nnf s LEU 96 CO 0.15 0.13 -0.18 -0.69 0.23 0.00 0.00 176.35 176.00 2nnf s VAL 97 N -0.06 1.88 -0.19 -1.59 1.01 -0.17 -1.34 120.40 119.94 2nnf s VAL 97 Ca 0.25 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 2nnf s VAL 97 Cb -0.16 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 2nnf s VAL 97 CO 0.12 0.50 0.00 -0.69 0.00 0.00 0.00 175.10 175.03 2nnf s VAL 98 N 1.36 4.04 -0.12 2.92 1.01 0.00 0.21 120.40 129.83 2nnf s VAL 98 Ca 0.05 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.76 2nnf s VAL 98 Cb -0.13 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 2nnf s VAL 98 CO -0.12 0.44 -0.18 -0.69 0.00 0.00 0.00 175.10 174.55 2nnf s VAL 99 N 0.81 2.62 -0.13 2.92 1.01 -0.49 -1.49 120.40 125.65 2nnf s VAL 99 Ca 0.01 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.16 2nnf s VAL 99 Cb -0.14 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 2nnf s VAL 99 CO 0.02 0.54 -0.13 -0.69 0.00 0.00 0.00 175.10 174.84 2nnf s VAL 100 N 0.33 3.05 -0.24 2.92 1.01 0.50 -1.31 120.40 126.65 2nnf s VAL 100 Ca -0.14 -0.66 -0.10 0.00 0.00 0.00 0.00 61.98 61.08 2nnf s VAL 100 Cb -0.17 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 2nnf s VAL 100 CO 0.07 0.52 0.14 -1.58 0.00 0.00 0.00 175.10 174.26 2nnf s GLN 101 N 0.40 4.00 -0.06 2.72 0.74 -0.23 -0.97 119.66 126.27 2nnf s GLN 101 Ca -0.10 -0.30 -0.03 0.00 0.05 0.00 0.00 55.36 54.97 2nnf s GLN 101 Cb -0.16 -3.50 0.03 0.00 1.10 0.00 0.00 33.01 30.48 2nnf s GLN 101 CO 0.05 0.03 0.13 0.00 -0.55 0.00 0.00 175.29 174.95 2nnf s ALA 102 N 1.12 -0.27 0.00 1.58 0.00 -0.79 -1.32 121.76 122.08 2nnf s ALA 102 Ca 0.07 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.57 2nnf s ALA 102 Cb -0.14 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.63 2nnf s ALA 102 CO 0.05 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.10 2nnf n GLY 103 N 3.77 2.46 2.16 0.00 0.00 -1.26 -1.99 105.19 110.33 2nnf n GLY 103 Ca -0.21 -0.46 -0.26 0.00 0.00 0.00 0.00 46.02 45.08 2nnf n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nnf n GLY 104 N 0.00 5.09 3.06 -0.02 0.00 -1.26 -4.99 105.19 107.07 2nnf n GLY 104 Ca 0.00 -1.59 -0.16 0.00 0.00 0.00 0.00 46.02 44.26 2nnf n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nnf s LYS 105 N -3.49 0.65 -0.09 1.61 1.02 -0.84 -4.69 119.74 113.89 2nnf s LYS 105 Ca 0.59 -0.58 -0.03 0.00 0.02 0.00 0.00 55.97 55.97 2nnf s LYS 105 Cb 0.48 -0.57 -0.03 0.00 -0.52 0.00 0.00 37.83 37.19 2nnf s LYS 105 CO 0.05 0.14 0.02 -0.51 -0.92 0.00 0.00 175.35 174.14 2nnf s LEU 106 N -0.95 3.71 -0.03 3.17 1.43 -1.02 -1.89 118.68 123.10 2nnf s LEU 106 Ca -0.02 0.20 0.05 0.00 -1.03 0.00 0.00 54.13 53.33 2nnf s LEU 106 Cb -0.07 -1.86 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 2nnf s LEU 106 CO 0.00 0.38 -0.19 -0.31 0.23 0.00 0.00 176.35 176.47 2nnf s TYR 107 N -0.89 1.79 0.03 0.29 1.51 -0.14 -1.82 117.35 118.12 2nnf s TYR 107 Ca 0.13 -0.43 0.06 0.00 -1.01 0.00 0.00 57.07 55.82 2nnf s TYR 107 Cb -0.11 -1.18 -0.02 0.00 -0.11 0.00 0.00 41.96 40.54 2nnf s TYR 107 CO 0.03 -0.10 -0.18 0.50 -1.11 0.00 0.00 175.55 174.68 2nnf s ARG 108 N -0.22 1.26 -0.00 -0.62 3.52 0.65 -0.37 118.95 123.17 2nnf s ARG 108 Ca 0.02 -0.81 -0.10 0.00 -0.13 0.00 0.00 55.73 54.71 2nnf s ARG 108 Cb -0.10 -1.31 0.01 0.00 -1.56 0.00 0.00 34.95 31.99 2nnf s ARG 108 CO 0.01 0.34 0.21 0.00 -0.81 0.00 0.00 175.30 175.04 2nnf s ALA 109 N -0.71 -0.51 0.03 6.12 0.00 -0.55 -1.50 121.76 124.64 2nnf s ALA 109 Ca 0.06 0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.07 2nnf s ALA 109 Cb -0.08 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 2nnf s ALA 109 CO 0.01 -0.23 -0.05 0.54 0.00 0.00 0.00 175.76 176.03 2nnf s VAL 110 N -1.39 0.32 -0.10 0.00 0.11 -1.26 -0.82 120.40 117.26 2nnf s VAL 110 Ca -0.14 -0.88 -0.06 0.00 -2.93 0.00 0.00 61.98 57.97 2nnf s VAL 110 Cb -0.07 -0.41 0.04 0.00 -1.53 0.00 0.00 36.38 34.42 2nnf s VAL 110 CO 0.03 -0.37 0.24 -0.60 -3.33 0.00 0.00 175.10 171.07 2nnf s ARG 111 N -1.32 0.22 0.12 1.54 3.52 -0.45 -5.00 118.95 117.59 2nnf s ARG 111 Ca -0.11 0.47 -0.15 0.00 -0.13 0.00 0.00 55.73 55.81 2nnf s ARG 111 Cb -0.09 -0.05 -0.07 0.00 -1.56 0.00 0.00 34.95 33.18 2nnf s ARG 111 CO -0.00 -0.13 0.54 -2.00 -0.81 0.00 0.00 175.30 172.90 2nnf s GLU 112 N 0.95 4.01 -0.27 5.12 2.12 -1.26 -0.28 118.70 129.09 2nnf s GLU 112 Ca -0.07 0.52 0.01 0.00 0.36 0.00 0.00 54.97 55.80 2nnf s GLU 112 Cb -0.08 -3.00 0.08 0.00 0.26 0.00 0.00 34.13 31.38 2nnf s GLU 112 CO -0.06 0.52 -0.01 0.08 -0.54 0.00 0.00 175.26 175.25 2nnf s VAL 113 N -1.38 1.62 0.33 3.70 1.01 -0.80 -4.87 120.40 120.00 2nnf s VAL 113 Ca 0.35 -1.54 -0.27 0.00 0.00 0.00 0.00 61.98 60.53 2nnf s VAL 113 Cb -0.16 -2.01 -0.09 0.00 0.00 0.00 0.00 36.38 34.12 2nnf s VAL 113 CO 0.19 -0.31 1.07 -1.59 0.00 0.00 0.00 175.10 174.46 2nnf s LYS 114 N 1.30 4.43 0.00 2.72 0.00 -0.91 -2.58 119.74 124.71 2nnf s LYS 114 Ca 0.01 1.67 0.06 0.00 0.00 0.00 0.00 55.97 57.71 2nnf s LYS 114 Cb -0.19 -2.91 0.05 0.00 0.00 0.00 0.00 37.83 34.78 2nnf s LYS 114 CO -0.10 0.06 0.69 0.28 0.00 0.00 0.00 175.35 176.28