#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nnf h ALA 9 N 0.00 0.28 -0.33 -1.46 0.00 -2.00 -2.45 119.26 113.30 2nnf h ALA 9 Ca 0.00 -0.53 0.07 0.00 0.00 0.00 0.00 54.91 54.44 2nnf h ALA 9 Cb 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 2nnf h ALA 9 CO 0.00 0.53 -0.08 0.77 0.00 0.00 0.00 179.25 180.47 2nnf h SER 10 N 0.37 -0.31 -0.35 0.00 0.02 -2.05 0.38 113.55 111.61 2nnf h SER 10 Ca -0.03 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2nnf h SER 10 Cb 1.22 0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.95 2nnf h SER 10 CO 0.12 -0.11 0.17 0.11 -1.14 0.00 0.00 176.83 175.99 2nnf h LYS 11 N 0.00 0.50 -0.21 3.45 1.57 -1.99 -1.42 116.57 118.47 2nnf h LYS 11 Ca 0.16 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2nnf h LYS 11 Cb 0.24 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 2nnf h LYS 11 CO -0.34 0.45 0.07 1.25 -0.57 0.00 0.00 179.45 180.31 2nnf h LEU 12 N 0.43 0.08 -1.15 2.94 5.85 -1.08 -1.60 115.31 120.79 2nnf h LEU 12 Ca 0.12 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 2nnf h LEU 12 Cb 0.11 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 2nnf h LEU 12 CO -0.02 0.08 0.48 0.44 -0.34 0.00 0.00 178.44 179.08 2nnf h ASP 13 N 0.17 0.93 -0.17 1.25 3.32 -0.76 0.29 116.42 121.45 2nnf h ASP 13 Ca 0.09 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2nnf h ASP 13 Cb 0.06 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 2nnf h ASP 13 CO -0.09 0.71 0.08 0.44 -1.72 0.00 0.00 179.24 178.66 2nnf h ASP 14 N 1.08 0.23 -0.45 6.45 3.32 -0.89 0.11 116.42 126.27 2nnf h ASP 14 Ca 0.28 -0.14 0.04 0.00 0.02 0.00 0.00 57.03 57.23 2nnf h ASP 14 Cb -0.05 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 2nnf h ASP 14 CO -0.05 0.31 0.22 0.00 -1.72 0.00 0.00 179.24 177.99 2nnf h ALA 15 N 0.93 0.56 -0.51 3.45 0.00 -0.75 -1.26 119.26 121.68 2nnf h ALA 15 Ca 0.06 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2nnf h ALA 15 Cb 0.14 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2nnf h ALA 15 CO -0.01 -0.14 0.32 0.82 0.00 0.00 0.00 179.25 180.25 2nnf h ILE 16 N 0.43 1.14 -0.64 0.00 2.04 -0.79 -2.79 117.51 116.90 2nnf h ILE 16 Ca 0.20 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 2nnf h ILE 16 Cb 0.11 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 2nnf h ILE 16 CO -0.14 0.14 0.29 0.00 0.00 0.00 0.00 178.15 178.44 2nnf h ALA 17 N 1.17 1.31 -0.02 1.87 0.00 -0.37 -0.15 119.26 123.07 2nnf h ALA 17 Ca 0.18 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2nnf h ALA 17 Cb -0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2nnf h ALA 17 CO -0.04 0.53 -0.41 0.00 0.00 0.00 0.00 179.25 179.33 2nnf h ALA 18 N 1.41 1.29 0.07 0.00 0.00 -1.04 0.28 119.26 121.27 2nnf h ALA 18 Ca 0.22 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 2nnf h ALA 18 Cb 0.12 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.85 2nnf h ALA 18 CO -0.03 0.53 -0.47 -0.22 0.00 0.00 0.00 179.25 179.06 2nnf h LYS 19 N 0.03 0.14 0.00 0.00 1.63 -1.20 -3.42 116.57 113.75 2nnf h LYS 19 Ca -0.00 -0.24 0.00 0.00 -0.85 0.00 0.00 60.65 59.56 2nnf h LYS 19 Cb 0.74 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.46 2nnf h LYS 19 CO 0.05 1.12 -1.14 1.19 -3.45 0.00 0.00 179.45 177.22 2nnf n PHE 20 N -4.36 0.00 -3.72 1.91 3.01 -0.11 -5.12 117.46 109.08 2nnf n PHE 20 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.33 2nnf n PHE 20 Cb 0.66 -0.16 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 2nnf n PHE 20 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2nnf n GLY 21 N 1.64 -0.68 3.36 1.37 0.00 0.98 -4.65 105.19 107.22 2nnf n GLY 21 Ca -0.01 -1.22 -0.45 0.00 0.00 0.00 0.00 46.02 44.35 2nnf n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2nnf s SER 22 N -4.00 7.25 0.12 1.61 0.01 -1.26 -4.41 113.70 113.03 2nnf s SER 22 Ca 0.00 -3.44 0.09 0.00 1.31 0.00 0.00 55.95 53.91 2nnf s SER 22 Cb 0.00 -2.25 -0.04 0.00 0.21 0.00 0.00 66.02 63.94 2nnf s SER 22 CO 0.00 -0.39 -0.19 -0.76 0.41 0.00 0.00 173.24 172.31 2nnf s LEU 23 N -0.63 2.67 0.20 2.44 1.43 -1.26 -5.09 118.68 118.44 2nnf s LEU 23 Ca 0.33 -0.59 -0.32 0.00 -1.03 0.00 0.00 54.13 52.52 2nnf s LEU 23 Cb -0.09 -1.51 -0.12 0.00 0.03 0.00 0.00 46.19 44.51 2nnf s LEU 23 CO -0.06 0.17 1.73 -2.65 0.23 0.00 0.00 176.35 175.77 2nnf n PRO 24 N 0.74 2.78 -4.44 1.29 -0.02 -1.26 -4.77 135.00 129.32 2nnf n PRO 24 Ca -0.15 1.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.98 2nnf n PRO 24 Cb 0.53 -2.86 -0.10 0.00 -0.02 0.00 0.00 33.50 31.05 2nnf n PRO 24 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2nnf s ILE 25 N 1.29 4.13 0.02 4.25 2.07 -1.26 0.01 121.20 131.71 2nnf s ILE 25 Ca 0.76 -0.31 -0.00 0.00 -1.41 0.00 0.00 60.65 59.68 2nnf s ILE 25 Cb -0.50 -2.73 -0.02 0.00 0.13 0.00 0.00 42.46 39.34 2nnf s ILE 25 CO 0.33 0.60 -0.03 0.00 -1.91 0.00 0.00 174.94 173.93 2nnf s GLN 26 N -0.83 0.33 0.63 3.50 -2.07 -0.46 -4.97 119.66 115.80 2nnf s GLN 26 Ca 0.13 -0.65 -0.17 0.00 -1.82 0.00 0.00 55.36 52.85 2nnf s GLN 26 Cb -0.11 0.12 -0.01 0.00 -1.09 0.00 0.00 33.01 31.91 2nnf s GLN 26 CO 0.02 -0.05 1.17 -1.21 -1.32 0.00 0.00 175.29 173.90 2nnf s GLU 27 N -1.61 2.81 -0.15 9.60 0.41 -1.26 -0.78 118.70 127.71 2nnf s GLU 27 Ca -0.15 1.68 -0.11 0.00 -0.41 0.00 0.00 54.97 55.98 2nnf s GLU 27 Cb -0.09 -1.93 0.05 0.00 -1.78 0.00 0.00 34.13 30.38 2nnf s GLU 27 CO -0.02 -1.30 0.38 0.45 -0.49 0.00 0.00 175.26 174.29 2nnf s SER 28 N -1.95 -0.44 0.00 -0.19 0.15 -0.18 -4.69 113.70 106.40 2nnf s SER 28 Ca 0.74 0.80 0.27 0.00 0.70 0.00 0.00 55.95 58.46 2nnf s SER 28 Cb -0.27 0.74 1.21 0.00 -1.71 0.00 0.00 66.02 65.99 2nnf s SER 28 CO 0.37 -0.16 1.83 0.35 1.20 0.00 0.00 173.24 176.82 2nnf n THR 29 N 3.65 0.03 0.42 6.45 -2.24 -1.26 -4.04 114.28 117.29 2nnf n THR 29 Ca -0.19 -0.19 0.02 0.00 -2.27 0.00 0.00 64.05 61.42 2nnf n THR 29 Cb 0.56 0.21 0.12 0.00 -2.10 0.00 0.00 70.33 69.12 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 -0.13 2.93 -3.73 6.98 0.00 -1.26 -4.69 120.51 120.61 2nnf n ALA 30 Ca 0.19 -0.58 -0.30 0.00 0.00 0.00 0.00 53.44 52.75 2nnf n ALA 30 Cb 0.28 -1.04 -0.17 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.53 1.68 -0.16 0.00 1.01 -1.26 -2.32 121.20 118.63 2nnf s ILE 31 Ca 0.17 -0.74 -0.06 0.00 0.00 0.00 0.00 60.65 60.01 2nnf s ILE 31 Cb 0.13 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 2nnf s ILE 31 CO 0.05 0.48 0.05 -1.10 0.00 0.00 0.00 174.94 174.42 2nnf s GLN 32 N 1.03 3.74 -0.22 2.79 1.11 -0.08 -4.95 119.66 123.08 2nnf s GLN 32 Ca -0.04 -0.34 0.02 0.00 0.01 0.00 0.00 55.36 55.00 2nnf s GLN 32 Cb -0.15 -3.12 0.05 0.00 -1.01 0.00 0.00 33.01 28.78 2nnf s GLN 32 CO -0.04 0.40 -0.12 0.42 0.01 0.00 0.00 175.29 175.96 2nnf s ILE 33 N 0.01 1.91 -0.27 1.08 1.01 -1.26 -1.36 121.20 122.33 2nnf s ILE 33 Ca 0.05 -1.25 -0.09 0.00 0.00 0.00 0.00 60.65 59.36 2nnf s ILE 33 Cb -0.12 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 2nnf s ILE 33 CO 0.01 0.14 0.13 -0.54 0.00 0.00 0.00 174.94 174.68 2nnf s LYS 34 N 1.26 3.75 0.02 2.79 1.02 0.15 -4.98 119.74 123.75 2nnf s LYS 34 Ca -0.03 -0.43 -0.25 0.00 0.02 0.00 0.00 55.97 55.27 2nnf s LYS 34 Cb -0.17 -3.49 0.06 0.00 -0.52 0.00 0.00 37.83 33.71 2nnf s LYS 34 CO -0.08 -0.21 0.58 0.00 -0.92 0.00 0.00 175.35 174.72 2nnf s ALA 35 N 1.68 -1.49 0.43 5.17 0.00 -1.26 -1.05 121.76 125.23 2nnf s ALA 35 Ca 0.06 0.83 -0.26 0.00 0.00 0.00 0.00 51.96 52.60 2nnf s ALA 35 Cb -0.16 0.29 -0.09 0.00 0.00 0.00 0.00 23.12 23.16 2nnf s ALA 35 CO 0.07 -0.47 1.39 -1.25 0.00 0.00 0.00 175.76 175.50 2nnf s PRO 36 N -2.08 3.80 0.23 0.00 0.04 -1.26 -4.92 135.00 130.81 2nnf s PRO 36 Ca -0.07 2.35 -0.06 0.00 0.04 0.00 0.00 61.00 63.26 2nnf s PRO 36 Cb -0.01 -2.71 0.33 0.00 0.04 0.00 0.00 34.50 32.16 2nnf s PRO 36 CO 0.02 -0.70 1.81 1.49 0.04 0.00 0.00 177.00 179.66 2nnf h GLU 37 N 2.48 0.72 -4.60 4.56 4.81 -1.94 -3.44 114.58 117.18 2nnf h GLU 37 Ca -0.50 -0.04 -0.28 0.00 -0.13 0.00 0.00 59.36 58.40 2nnf h GLU 37 Cb 1.26 -0.16 -0.22 0.00 0.63 0.00 0.00 28.75 30.26 2nnf h GLU 37 CO 0.62 0.48 -0.74 -1.50 -0.73 0.00 0.00 179.01 177.14 2nnf s ILE 38 N -6.06 0.56 0.08 2.32 2.07 -1.26 -1.96 121.20 116.96 2nnf s ILE 38 Ca -0.13 -1.06 0.01 0.00 -1.41 0.00 0.00 60.65 58.07 2nnf s ILE 38 Cb 0.18 -0.62 -0.04 0.00 0.13 0.00 0.00 42.46 42.11 2nnf s ILE 38 CO 0.77 -0.35 -0.06 0.00 -1.91 0.00 0.00 174.94 173.39 2nnf s ALA 39 N -1.32 0.83 0.28 1.50 0.00 0.88 -4.93 121.76 118.99 2nnf s ALA 39 Ca -0.09 -1.28 -0.24 0.00 0.00 0.00 0.00 51.96 50.35 2nnf s ALA 39 Cb -0.10 0.18 -0.09 0.00 0.00 0.00 0.00 23.12 23.11 2nnf s ALA 39 CO 0.00 -0.26 0.86 -1.21 0.00 0.00 0.00 175.76 175.16 2nnf s GLU 40 N -3.72 4.48 0.14 0.00 2.02 -1.26 -0.84 118.70 119.51 2nnf s GLU 40 Ca 0.09 1.17 -0.33 0.00 0.02 0.00 0.00 54.97 55.92 2nnf s GLU 40 Cb 0.05 -2.85 -0.12 0.00 0.10 0.00 0.00 34.13 31.30 2nnf s GLU 40 CO -0.06 0.33 1.72 -1.71 0.02 0.00 0.00 175.26 175.57 2nnf n ASN 41 N 0.67 3.63 0.00 -0.19 5.15 -0.61 -1.72 115.26 122.20 2nnf n ASN 41 Ca 0.00 1.04 0.00 0.00 -0.60 0.00 0.00 54.58 55.02 2nnf n ASN 41 Cb 0.50 -1.49 0.00 0.00 -0.53 0.00 0.00 39.78 38.26 2nnf n ASN 41 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2nnf n GLY 42 N 3.89 1.82 3.80 8.20 0.00 0.10 -5.03 105.19 117.97 2nnf n GLY 42 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.74 2.93 -0.14 4.61 0.00 -0.70 -4.67 121.76 121.04 2nnf s ALA 43 Ca 0.00 0.59 -0.28 0.00 0.00 0.00 0.00 51.96 52.27 2nnf s ALA 43 Cb 0.00 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 2nnf s ALA 43 CO 0.00 -0.23 0.97 -0.06 0.00 0.00 0.00 175.76 176.45 2nnf s PHE 44 N -1.96 3.46 -0.22 0.00 0.40 -1.26 -1.90 117.98 116.49 2nnf s PHE 44 Ca 0.65 1.49 -0.08 0.00 -0.60 0.00 0.00 56.93 58.39 2nnf s PHE 44 Cb -0.16 -3.16 -0.04 0.00 0.51 0.00 0.00 43.02 40.17 2nnf s PHE 44 CO 0.20 -0.28 0.08 0.08 0.70 0.00 0.00 175.22 176.00 2nnf s VAL 45 N 2.28 4.58 0.16 -0.44 1.01 0.23 -4.85 120.40 123.36 2nnf s VAL 45 Ca 0.45 -0.09 -0.31 0.00 0.00 0.00 0.00 61.98 62.03 2nnf s VAL 45 Cb -0.17 -3.11 -0.08 0.00 0.00 0.00 0.00 36.38 33.01 2nnf s VAL 45 CO 0.14 0.38 1.36 -2.16 0.00 0.00 0.00 175.10 174.82 2nnf s PRO 46 N 1.13 4.34 -0.05 2.72 0.05 -1.26 -0.60 135.00 141.34 2nnf s PRO 46 Ca 0.05 2.08 0.02 0.00 0.05 0.00 0.00 61.00 63.19 2nnf s PRO 46 Cb -0.14 -3.22 0.02 0.00 0.05 0.00 0.00 34.50 31.21 2nnf s PRO 46 CO 0.03 -0.36 -0.07 0.08 0.05 0.00 0.00 177.00 176.73 2nnf s VAL 47 N 0.61 0.73 -0.06 -0.36 1.01 0.80 -4.37 120.40 118.77 2nnf s VAL 47 Ca 0.61 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.36 2nnf s VAL 47 Cb -0.37 -0.70 0.01 0.00 0.00 0.00 0.00 36.38 35.31 2nnf s VAL 47 CO 0.34 0.26 -0.15 -0.89 0.00 0.00 0.00 175.10 174.67 2nnf s THR 48 N 0.70 1.29 -0.01 3.92 2.01 -0.22 -0.76 115.64 122.57 2nnf s THR 48 Ca -0.11 -0.60 0.06 0.00 0.31 0.00 0.00 61.69 61.35 2nnf s THR 48 Cb -0.14 -1.14 -0.01 0.00 0.01 0.00 0.00 72.50 71.21 2nnf s THR 48 CO 0.01 0.38 -0.18 0.68 -0.69 0.00 0.00 174.62 174.83 2nnf s VAL 49 N 0.38 1.43 0.15 3.82 -7.23 0.08 0.31 120.40 119.34 2nnf s VAL 49 Ca -0.10 -0.78 -0.05 0.00 -1.81 0.00 0.00 61.98 59.23 2nnf s VAL 49 Cb -0.14 -1.19 -0.02 0.00 0.56 0.00 0.00 36.38 35.58 2nnf s VAL 49 CO 0.03 0.40 0.17 0.00 -0.31 0.00 0.00 175.10 175.40 2nnf s ALA 50 N -0.43 0.42 -0.03 1.32 0.00 -0.46 -0.77 121.76 121.81 2nnf s ALA 50 Ca 0.07 -1.17 -0.15 0.00 0.00 0.00 0.00 51.96 50.71 2nnf s ALA 50 Cb -0.07 0.86 0.03 0.00 0.00 0.00 0.00 23.12 23.93 2nnf s ALA 50 CO -0.01 -0.57 0.32 -0.08 0.00 0.00 0.00 175.76 175.43 2nnf s THR 51 N -4.01 0.05 -1.95 0.00 -1.32 -1.20 -0.90 115.64 106.31 2nnf s THR 51 Ca 0.20 -0.40 0.17 0.00 -1.21 0.00 0.00 61.69 60.46 2nnf s THR 51 Cb 0.05 -0.60 0.24 0.00 -1.51 0.00 0.00 72.50 70.68 2nnf s THR 51 CO 0.01 -0.22 1.15 -1.54 -2.21 0.00 0.00 174.62 171.81 2nnf n SER 52 N 1.51 2.75 -4.68 8.08 3.41 -0.98 -4.43 113.62 119.28 2nnf n SER 52 Ca -0.20 -1.81 -0.42 0.00 -0.26 0.00 0.00 58.87 56.18 2nnf n SER 52 Cb 0.56 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 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 -1.31 3.01 0.08 -1.33 1.01 -1.26 -4.92 121.20 116.49 2nnf s ILE 53 Ca 0.25 0.30 -0.30 0.00 0.00 0.00 0.00 60.65 60.90 2nnf s ILE 53 Cb 0.16 -3.19 -0.16 0.00 0.01 0.00 0.00 42.46 39.28 2nnf s ILE 53 CO 0.23 -0.01 1.65 -0.65 0.00 0.00 0.00 174.94 176.15 2nnf h PRO 54 N 9.23 -0.63 -1.14 2.79 0.11 -1.98 -3.11 132.00 137.27 2nnf h PRO 54 Ca -0.45 0.04 -0.42 0.00 0.11 0.00 0.00 66.00 65.28 2nnf h PRO 54 Cb 1.21 0.14 -0.21 0.00 0.11 0.00 0.00 31.00 32.25 2nnf h PRO 54 CO 0.94 -0.42 0.54 0.41 -0.21 0.00 0.00 178.00 179.27 2nnf n GLY 55 N -1.39 4.32 3.71 -0.55 0.00 -1.26 -1.48 105.19 108.53 2nnf n GLY 55 Ca -0.11 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.52 3.71 -0.50 4.61 0.00 -1.18 -3.81 121.76 122.07 2nnf s ALA 56 Ca 0.43 1.25 0.06 0.00 0.00 0.00 0.00 51.96 53.70 2nnf s ALA 56 Cb 0.35 -3.63 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 2nnf s ALA 56 CO 0.04 -0.85 0.43 0.25 0.00 0.00 0.00 175.76 175.63 2nnf n THR 57 N 4.23 0.00 -3.67 0.00 -2.24 -0.49 -3.78 114.28 108.32 2nnf n THR 57 Ca 0.14 -0.42 -0.14 0.00 -2.27 0.00 0.00 64.05 61.36 2nnf n THR 57 Cb 0.40 1.06 -0.08 0.00 -2.10 0.00 0.00 70.33 69.60 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 -1.15 -0.48 -0.07 3.42 3.84 -1.23 -1.19 114.94 118.08 2nnf s ASN 58 Ca 0.04 0.72 -0.01 0.00 0.21 0.00 0.00 52.86 53.83 2nnf s ASN 58 Cb 0.05 0.75 0.03 0.00 -0.55 0.00 0.00 41.25 41.52 2nnf s ASN 58 CO 0.18 -0.34 -0.02 -0.51 -2.79 0.00 0.00 177.10 173.62 2nnf s ILE 59 N -0.46 0.47 0.04 -5.21 2.07 -0.76 -1.84 121.20 115.51 2nnf s ILE 59 Ca -0.06 0.02 0.08 0.00 -1.41 0.00 0.00 60.65 59.28 2nnf s ILE 59 Cb -0.03 -0.58 -0.03 0.00 0.13 0.00 0.00 42.46 41.95 2nnf s ILE 59 CO 0.04 0.26 -0.22 -0.44 -1.91 0.00 0.00 174.94 172.67 2nnf s SER 60 N 1.67 2.60 -0.16 4.50 0.01 0.06 -0.78 113.70 121.60 2nnf s SER 60 Ca 0.01 -0.53 0.02 0.00 1.31 0.00 0.00 55.95 56.75 2nnf s SER 60 Cb -0.13 -0.22 0.01 0.00 0.21 0.00 0.00 66.02 65.89 2nnf s SER 60 CO -0.04 0.18 -0.21 -0.63 0.41 0.00 0.00 173.24 172.95 2nnf s ILE 61 N -0.80 2.12 0.06 1.44 1.01 -0.31 -1.35 121.20 123.37 2nnf s ILE 61 Ca 0.08 -0.94 0.08 0.00 0.00 0.00 0.00 60.65 59.87 2nnf s ILE 61 Cb -0.09 -1.86 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 2nnf s ILE 61 CO 0.02 0.54 -0.19 -0.36 0.00 0.00 0.00 174.94 174.95 2nnf s PHE 62 N 1.00 2.52 -0.51 3.97 0.40 0.16 -0.91 117.98 124.61 2nnf s PHE 62 Ca -0.02 -0.28 0.04 0.00 -0.60 0.00 0.00 56.93 56.07 2nnf s PHE 62 Cb -0.15 -1.42 0.16 0.00 0.51 0.00 0.00 43.02 42.13 2nnf s PHE 62 CO -0.06 0.28 0.38 0.95 0.70 0.00 0.00 175.22 177.46 2nnf s THR 63 N -0.97 1.34 0.61 0.64 -4.23 0.13 -0.88 115.64 112.27 2nnf s THR 63 Ca 0.15 -3.17 0.29 0.00 -1.18 0.00 0.00 61.69 57.79 2nnf s THR 63 Cb -0.10 -1.90 0.36 0.00 1.34 0.00 0.00 72.50 72.19 2nnf s THR 63 CO 0.06 -1.11 1.99 1.55 -0.54 0.00 0.00 174.62 176.57 2nnf h PRO 64 N 5.73 0.00 0.00 3.99 0.13 -1.77 -1.88 132.00 138.21 2nnf h PRO 64 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2nnf h PRO 64 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2nnf h PRO 64 CO 0.50 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.27 2nnf n ALA 65 N -2.25 1.96 -2.53 -0.56 0.00 -1.26 -4.88 120.51 110.98 2nnf n ALA 65 Ca 0.04 -0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.18 2nnf n ALA 65 Cb 0.47 -1.34 -0.05 0.00 0.00 0.00 0.00 19.45 18.54 2nnf n ALA 65 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2nnf s ASN 66 N -2.96 5.09 0.20 0.00 0.01 -0.70 -5.03 114.94 111.54 2nnf s ASN 66 Ca 0.11 -0.57 -0.11 0.00 -0.71 0.00 0.00 52.86 51.58 2nnf s ASN 66 Cb 0.14 -0.92 0.18 0.00 0.41 0.00 0.00 41.25 41.06 2nnf s ASN 66 CO 0.37 -0.31 1.81 0.15 -1.51 0.00 0.00 177.10 177.61 2nnf h PHE 67 N 1.38 0.62 -3.12 2.20 3.57 -1.90 -3.29 116.94 116.40 2nnf h PHE 67 Ca -0.45 0.02 -0.75 0.00 3.53 0.00 0.00 57.97 60.32 2nnf h PHE 67 Cb 1.25 -0.19 -0.23 0.00 2.79 0.00 0.00 35.95 39.57 2nnf h PHE 67 CO 0.57 0.32 -0.22 -1.12 -2.23 0.00 0.00 178.31 175.63 2nnf s SER 68 N -5.58 6.18 0.42 0.41 0.01 -1.26 -4.96 113.70 108.91 2nnf s SER 68 Ca -0.13 -1.67 0.29 0.00 1.31 0.00 0.00 55.95 55.75 2nnf s SER 68 Cb 0.15 -2.21 1.23 0.00 0.21 0.00 0.00 66.02 65.39 2nnf s SER 68 CO 0.75 -0.84 1.87 1.55 0.41 0.00 0.00 173.24 176.98 2nnf h PRO 69 N 8.89 0.00 -5.00 12.44 0.13 -1.75 -3.41 132.00 143.30 2nnf h PRO 69 Ca -0.30 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.18 2nnf h PRO 69 Cb 1.10 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 31.97 2nnf h PRO 69 CO 1.01 0.00 -0.70 1.41 -0.23 0.00 0.00 178.00 179.50 2nnf s MET 70 N -3.52 3.46 -0.11 0.86 -2.45 -1.26 0.17 119.30 116.44 2nnf s MET 70 Ca 0.02 -0.58 0.01 0.00 -1.25 0.00 0.00 55.69 53.89 2nnf s MET 70 Cb 0.09 -3.09 -0.24 0.00 1.25 0.00 0.00 34.83 32.84 2nnf s MET 70 CO 0.46 -0.18 0.39 0.28 1.05 0.00 0.00 175.02 177.03 2nnf n VAL 71 N 4.78 1.69 -3.54 10.11 0.31 -0.08 -4.98 118.33 126.61 2nnf n VAL 71 Ca -0.18 -0.70 -0.15 0.00 -0.01 0.00 0.00 64.34 63.30 2nnf n VAL 71 Cb 0.51 -1.43 -0.06 0.00 -0.91 0.00 0.00 33.84 31.95 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 -2.56 -1.83 -0.12 3.52 0.00 -1.21 -5.00 121.76 114.56 2nnf s ALA 72 Ca -0.17 1.40 -0.05 0.00 0.00 0.00 0.00 51.96 53.14 2nnf s ALA 72 Cb 0.07 -0.24 0.06 0.00 0.00 0.00 0.00 23.12 23.01 2nnf s ALA 72 CO 0.78 -0.36 0.25 0.45 0.00 0.00 0.00 175.76 176.87 2nnf s SER 73 N -1.20 0.27 -0.34 0.00 0.15 -1.26 -1.16 113.70 110.15 2nnf s SER 73 Ca -0.07 0.55 0.03 0.00 0.70 0.00 0.00 55.95 57.16 2nnf s SER 73 Cb -0.00 0.60 0.09 0.00 -1.71 0.00 0.00 66.02 65.00 2nnf s SER 73 CO 0.06 -0.23 0.05 0.12 1.20 0.00 0.00 173.24 174.45 2nnf s PHE 74 N 2.17 3.66 -0.13 3.44 5.36 0.04 -5.00 117.98 127.52 2nnf s PHE 74 Ca -0.01 -2.79 -0.27 0.00 -0.96 0.00 0.00 56.93 52.91 2nnf s PHE 74 Cb -0.12 -2.82 -0.01 0.00 -0.34 0.00 0.00 43.02 39.73 2nnf s PHE 74 CO -0.08 -0.94 0.91 -0.51 -1.46 0.00 0.00 175.22 173.14 2nnf s ASP 75 N 1.08 7.10 0.05 6.13 1.01 -1.26 -1.82 116.67 128.95 2nnf s ASP 75 Ca 0.07 1.35 -0.02 0.00 0.71 0.00 0.00 52.55 54.66 2nnf s ASP 75 Cb -0.20 -2.50 -0.03 0.00 1.01 0.00 0.00 42.92 41.20 2nnf s ASP 75 CO -0.07 -0.40 0.01 0.68 0.21 0.00 0.00 175.17 175.60 2nnf s VAL 76 N 2.00 0.19 0.45 -1.27 -7.23 -0.33 -4.99 120.40 109.21 2nnf s VAL 76 Ca 0.43 -1.53 -0.16 0.00 -1.81 0.00 0.00 61.98 58.91 2nnf s VAL 76 Cb -0.17 -1.27 -0.08 0.00 0.56 0.00 0.00 36.38 35.42 2nnf s VAL 76 CO 0.15 -0.85 0.90 -0.76 -0.31 0.00 0.00 175.10 174.24 2nnf s LEU 77 N -2.64 3.79 0.64 1.32 1.43 -1.26 -4.26 118.68 117.71 2nnf s LEU 77 Ca 0.02 1.45 -0.17 0.00 -1.03 0.00 0.00 54.13 54.41 2nnf s LEU 77 Cb 0.04 -4.35 -0.06 0.00 0.03 0.00 0.00 46.19 41.85 2nnf s LEU 77 CO -0.08 -0.45 0.54 -2.65 0.23 0.00 0.00 176.35 173.93 2nnf n PRO 78 N -1.19 0.43 -1.04 1.29 -0.02 -1.25 -3.35 135.00 129.87 2nnf n PRO 78 Ca 0.05 0.18 -0.02 0.00 -2.02 0.00 0.00 63.50 61.70 2nnf n PRO 78 Cb 0.54 -1.78 -0.01 0.00 -0.02 0.00 0.00 33.50 32.24 2nnf n PRO 78 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 2nnf n ARG 79 N -0.38 -0.74 0.00 -0.52 -4.01 -0.55 -4.89 116.66 105.57 2nnf n ARG 79 Ca 0.11 0.30 0.12 0.00 -1.04 0.00 0.00 57.85 57.34 2nnf n ARG 79 Cb 0.49 -3.93 0.14 0.00 -3.04 0.00 0.00 32.46 26.12 2nnf n ARG 79 CO 0.00 0.00 0.00 -1.33 -3.04 0.00 0.00 177.63 173.26 2nnf n MET 80 N -1.70 0.32 -3.71 2.89 2.81 -1.21 -4.99 117.12 111.53 2nnf n MET 80 Ca -0.02 -0.22 -0.31 0.00 -1.81 0.00 0.00 57.70 55.34 2nnf n MET 80 Cb 0.21 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.25 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 -1.15 -1.10 -1.95 0.03 5.02 -1.26 -4.84 118.16 112.91 2nnf n LYS 81 Ca 0.07 0.51 -0.38 0.00 -2.02 0.00 0.00 58.31 56.49 2nnf n LYS 81 Cb 0.35 -3.78 0.02 0.00 -0.02 0.00 0.00 35.03 31.61 2nnf n LYS 81 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2nnf s PRO 82 N -5.85 3.47 -0.01 1.97 0.04 -1.26 -4.86 135.00 128.50 2nnf s PRO 82 Ca 0.39 2.11 0.02 0.00 0.04 0.00 0.00 61.00 63.56 2nnf s PRO 82 Cb -0.15 -2.40 -0.00 0.00 0.04 0.00 0.00 34.50 31.99 2nnf s PRO 82 CO 0.87 -0.89 -0.07 -2.00 0.04 0.00 0.00 177.00 174.96 2nnf s GLU 83 N -2.72 0.62 -0.02 4.56 2.12 -1.26 -3.23 118.70 118.76 2nnf s GLU 83 Ca 0.66 -0.23 0.06 0.00 0.36 0.00 0.00 54.97 55.83 2nnf s GLU 83 Cb -0.37 -0.60 -0.01 0.00 0.26 0.00 0.00 34.13 33.40 2nnf s GLU 83 CO 0.45 0.11 -0.20 0.08 -0.54 0.00 0.00 175.26 175.16 2nnf s VAL 84 N 0.03 1.59 -0.03 3.70 1.01 0.05 -4.99 120.40 121.77 2nnf s VAL 84 Ca 0.00 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.15 2nnf s VAL 84 Cb -0.05 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 35.01 2nnf s VAL 84 CO -0.00 0.45 -0.09 -0.55 0.00 0.00 0.00 175.10 174.91 2nnf s SER 85 N -0.43 1.19 0.26 3.32 0.15 -1.26 -0.74 113.70 116.20 2nnf s SER 85 Ca 0.07 -0.18 -0.19 0.00 0.70 0.00 0.00 55.95 56.34 2nnf s SER 85 Cb -0.08 -0.33 0.02 0.00 -1.71 0.00 0.00 66.02 63.92 2nnf s SER 85 CO -0.00 0.06 0.64 -1.48 1.20 0.00 0.00 173.24 173.65 2nnf s LEU 86 N 0.21 -0.10 -0.28 3.45 0.05 0.06 -5.01 118.68 117.06 2nnf s LEU 86 Ca -0.03 -0.65 -0.04 0.00 0.05 0.00 0.00 54.13 53.45 2nnf s LEU 86 Cb -0.09 2.43 0.02 0.00 -2.05 0.00 0.00 46.19 46.50 2nnf s LEU 86 CO 0.00 -1.25 0.02 -0.13 -0.55 0.00 0.00 176.35 174.44 2nnf s ARG 87 N -3.93 2.91 -0.21 1.48 3.00 -1.26 -0.14 118.95 120.80 2nnf s ARG 87 Ca 0.13 -0.95 -0.06 0.00 0.00 0.00 0.00 55.73 54.85 2nnf s ARG 87 Cb -0.04 -3.21 -0.03 0.00 0.00 0.00 0.00 34.95 31.67 2nnf s ARG 87 CO 0.06 -0.45 0.03 -1.64 0.00 0.00 0.00 175.30 173.30 2nnf s MET 88 N 1.41 3.70 0.28 3.54 -1.94 0.23 -4.79 119.30 121.73 2nnf s MET 88 Ca 0.01 -0.47 -0.29 0.00 -1.71 0.00 0.00 55.69 53.22 2nnf s MET 88 Cb -0.17 -3.17 -0.09 0.00 2.01 0.00 0.00 34.83 33.41 2nnf s MET 88 CO -0.01 0.02 1.17 0.50 -0.01 0.00 0.00 175.02 176.69 2nnf s ARG 89 N 1.02 4.55 -0.17 2.03 3.52 -1.26 0.77 118.95 129.41 2nnf s ARG 89 Ca 0.03 1.91 0.01 0.00 -0.13 0.00 0.00 55.73 57.56 2nnf s ARG 89 Cb -0.14 -3.17 0.02 0.00 -1.56 0.00 0.00 34.95 30.10 2nnf s ARG 89 CO 0.02 0.07 -0.20 -1.64 -0.81 0.00 0.00 175.30 172.74 2nnf s MET 90 N -1.33 2.96 -0.13 5.12 -1.94 -0.80 -4.91 119.30 118.28 2nnf s MET 90 Ca 0.47 -0.82 0.18 0.00 -1.71 0.00 0.00 55.69 53.80 2nnf s MET 90 Cb -0.34 -2.50 -0.25 0.00 2.01 0.00 0.00 34.83 33.75 2nnf s MET 90 CO 0.43 -0.15 0.28 0.00 -0.01 0.00 0.00 175.02 175.57 2nnf n ALA 91 N 4.46 1.70 -3.10 3.03 0.00 -1.26 -0.72 120.51 124.62 2nnf n ALA 91 Ca -0.21 -1.08 -0.09 0.00 0.00 0.00 0.00 53.44 52.07 2nnf n ALA 91 Cb 0.50 -0.43 -0.05 0.00 0.00 0.00 0.00 19.45 19.47 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 -2.67 1.44 0.31 0.00 0.00 -1.26 -4.79 119.74 112.77 2nnf s LYS 92 Ca -0.08 -1.18 -0.29 0.00 0.00 0.00 0.00 55.97 54.43 2nnf s LYS 92 Cb 0.08 0.46 -0.13 0.00 0.00 0.00 0.00 37.83 38.24 2nnf s LYS 92 CO 0.84 -0.59 1.26 2.41 0.00 0.00 0.00 175.35 179.26 2nnf n THR 93 N -0.34 1.80 -3.85 3.79 -1.04 -1.26 -4.70 114.28 108.67 2nnf n THR 93 Ca -0.04 -0.45 -0.12 0.00 -2.04 0.00 0.00 64.05 61.40 2nnf n THR 93 Cb 0.62 -1.44 -0.11 0.00 -1.82 0.00 0.00 70.33 67.59 2nnf n THR 93 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2nnf s GLU 94 N -1.54 0.37 -0.19 -2.82 2.02 -0.71 -4.97 118.70 110.86 2nnf s GLU 94 Ca 0.58 -0.18 -0.08 0.00 0.02 0.00 0.00 54.97 55.31 2nnf s GLU 94 Cb -0.61 0.16 -0.04 0.00 0.10 0.00 0.00 34.13 33.73 2nnf s GLU 94 CO 0.59 -0.08 0.09 -0.80 0.02 0.00 0.00 175.26 175.08 2nnf s ASN 95 N -0.84 5.86 -0.23 -0.19 0.01 -1.26 -0.02 114.94 118.27 2nnf s ASN 95 Ca -0.09 0.15 -0.12 0.00 -0.71 0.00 0.00 52.86 52.09 2nnf s ASN 95 Cb -0.05 -2.01 -0.05 0.00 0.41 0.00 0.00 41.25 39.55 2nnf s ASN 95 CO 0.01 0.19 0.21 -0.76 -1.51 0.00 0.00 177.10 175.24 2nnf s LEU 96 N 0.30 4.14 -0.16 0.60 1.43 1.00 -4.39 118.68 121.60 2nnf s LEU 96 Ca 0.05 0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 53.36 2nnf s LEU 96 Cb -0.12 -2.20 -0.01 0.00 0.03 0.00 0.00 46.19 43.90 2nnf s LEU 96 CO -0.01 0.05 -0.13 -0.69 0.23 0.00 0.00 176.35 175.80 2nnf s VAL 97 N 1.03 2.89 -0.13 -1.59 1.01 -0.06 -1.27 120.40 122.29 2nnf s VAL 97 Ca 0.10 -0.69 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 2nnf s VAL 97 Cb -0.13 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 2nnf s VAL 97 CO 0.05 0.50 -0.13 -0.69 0.00 0.00 0.00 175.10 174.83 2nnf s VAL 98 N 0.78 3.06 -0.09 2.92 1.01 -0.37 0.37 120.40 128.08 2nnf s VAL 98 Ca -0.05 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.30 2nnf s VAL 98 Cb -0.15 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.95 2nnf s VAL 98 CO 0.01 0.53 -0.20 -0.69 0.00 0.00 0.00 175.10 174.74 2nnf s VAL 99 N 0.31 1.78 -0.09 2.92 1.01 -0.46 -1.63 120.40 124.25 2nnf s VAL 99 Ca -0.10 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.04 2nnf s VAL 99 Cb -0.16 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 2nnf s VAL 99 CO 0.06 0.50 -0.15 -0.69 0.00 0.00 0.00 175.10 174.82 2nnf s VAL 100 N 0.46 2.96 -0.25 2.92 1.01 0.09 -0.76 120.40 126.84 2nnf s VAL 100 Ca -0.17 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 60.98 2nnf s VAL 100 Cb -0.17 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 2nnf s VAL 100 CO 0.07 0.56 0.15 -1.58 0.00 0.00 0.00 175.10 174.30 2nnf s GLN 101 N -0.14 3.99 -0.08 2.72 0.74 -0.77 -0.73 119.66 125.39 2nnf s GLN 101 Ca -0.01 -0.31 -0.02 0.00 0.05 0.00 0.00 55.36 55.07 2nnf s GLN 101 Cb -0.14 -3.53 0.03 0.00 1.10 0.00 0.00 33.01 30.48 2nnf s GLN 101 CO 0.03 -0.01 0.02 0.00 -0.55 0.00 0.00 175.29 174.78 2nnf s ALA 102 N 1.25 0.62 0.00 1.58 0.00 -0.55 -1.40 121.76 123.27 2nnf s ALA 102 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.92 2nnf s ALA 102 Cb -0.14 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.22 2nnf s ALA 102 CO 0.06 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.70 2nnf n GLY 103 N 5.17 3.10 2.02 0.00 0.00 -1.25 -1.97 105.19 112.27 2nnf n GLY 103 Ca -0.06 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 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 5.65 3.29 -0.02 0.00 -1.26 -4.99 105.19 107.86 2nnf n GLY 104 Ca 0.00 -2.04 -0.24 0.00 0.00 0.00 0.00 46.02 43.74 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 -3.60 1.13 0.02 1.61 3.01 -0.83 -4.39 119.74 116.69 2nnf s LYS 105 Ca 0.57 -1.17 0.03 0.00 -1.01 0.00 0.00 55.97 54.38 2nnf s LYS 105 Cb 0.46 -1.40 -0.04 0.00 -1.01 0.00 0.00 37.83 35.84 2nnf s LYS 105 CO 0.02 0.33 -0.03 -0.51 0.51 0.00 0.00 175.35 175.67 2nnf s LEU 106 N -1.93 3.36 -0.02 3.17 1.43 0.10 -1.48 118.68 123.32 2nnf s LEU 106 Ca 0.07 -0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 2nnf s LEU 106 Cb -0.10 -1.96 -0.00 0.00 0.03 0.00 0.00 46.19 44.16 2nnf s LEU 106 CO 0.04 0.26 -0.10 -0.31 0.23 0.00 0.00 176.35 176.48 2nnf s TYR 107 N -1.09 0.97 0.03 0.29 1.51 0.09 -1.35 117.35 117.80 2nnf s TYR 107 Ca 0.20 -0.22 0.03 0.00 -1.01 0.00 0.00 57.07 56.06 2nnf s TYR 107 Cb -0.11 -0.66 -0.02 0.00 -0.11 0.00 0.00 41.96 41.06 2nnf s TYR 107 CO 0.10 -0.06 -0.08 0.50 -1.11 0.00 0.00 175.55 174.90 2nnf s ARG 108 N -0.02 0.58 0.05 -0.62 3.52 0.04 -0.73 118.95 121.77 2nnf s ARG 108 Ca 0.00 -0.57 0.02 0.00 -0.13 0.00 0.00 55.73 55.05 2nnf s ARG 108 Cb -0.07 -0.47 -0.03 0.00 -1.56 0.00 0.00 34.95 32.83 2nnf s ARG 108 CO 0.00 0.11 -0.07 0.00 -0.81 0.00 0.00 175.30 174.53 2nnf s ALA 109 N -0.85 0.58 -0.01 6.12 0.00 -0.65 -1.01 121.76 125.95 2nnf s ALA 109 Ca -0.04 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.13 2nnf s ALA 109 Cb -0.07 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 2nnf s ALA 109 CO 0.00 -0.07 -0.13 0.08 0.00 0.00 0.00 175.76 175.64 2nnf s VAL 110 N -1.75 1.04 -0.03 0.00 1.01 -1.26 -1.24 120.40 118.17 2nnf s VAL 110 Ca -0.07 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 2nnf s VAL 110 Cb -0.07 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.46 2nnf s VAL 110 CO -0.01 0.28 0.07 -0.60 0.00 0.00 0.00 175.10 174.84 2nnf s ARG 111 N -0.36 0.03 0.04 2.72 3.52 -0.39 -4.99 118.95 119.52 2nnf s ARG 111 Ca 0.05 0.20 -0.11 0.00 -0.13 0.00 0.00 55.73 55.73 2nnf s ARG 111 Cb -0.05 -0.13 -0.06 0.00 -1.56 0.00 0.00 34.95 33.15 2nnf s ARG 111 CO -0.00 -0.11 0.39 -2.00 -0.81 0.00 0.00 175.30 172.76 2nnf s GLU 112 N 0.73 3.79 -0.24 5.12 2.12 -1.26 -0.00 118.70 128.95 2nnf s GLU 112 Ca -0.06 0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.52 2nnf s GLU 112 Cb -0.08 -3.08 0.06 0.00 0.26 0.00 0.00 34.13 31.29 2nnf s GLU 112 CO -0.03 0.61 -0.10 0.08 -0.54 0.00 0.00 175.26 175.29 2nnf s VAL 113 N -1.28 1.98 0.40 3.70 1.01 0.97 -4.84 120.40 122.34 2nnf s VAL 113 Ca 0.29 -1.45 -0.24 0.00 0.00 0.00 0.00 61.98 60.58 2nnf s VAL 113 Cb -0.15 -2.10 -0.09 0.00 0.00 0.00 0.00 36.38 34.05 2nnf s VAL 113 CO 0.16 0.01 1.06 -0.54 0.00 0.00 0.00 175.10 175.78 2nnf s LYS 114 N 1.20 4.14 0.05 2.72 1.02 -0.83 -1.75 119.74 126.30 2nnf s LYS 114 Ca -0.07 1.53 0.09 0.00 0.02 0.00 0.00 55.97 57.53 2nnf s LYS 114 Cb -0.19 -2.53 -0.03 0.00 -0.52 0.00 0.00 37.83 34.56 2nnf s LYS 114 CO -0.06 -0.17 -0.25 0.08 -0.92 0.00 0.00 175.35 174.04 2nnf s VAL 115 N -1.66 1.99 0.27 3.17 1.01 -1.26 -0.09 120.40 123.84 2nnf s VAL 115 Ca 0.58 -1.34 0.12 0.00 0.00 0.00 0.00 61.98 61.33 2nnf s VAL 115 Cb -0.22 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 2nnf s VAL 115 CO 0.28 0.30 -0.19 0.42 0.00 0.00 0.00 175.10 175.91 2nnf s THR 116 N -0.81 2.53 -2.00 3.92 -4.23 -0.02 -4.71 115.64 110.31 2nnf s THR 116 Ca 0.10 -2.32 0.11 0.00 -1.18 0.00 0.00 61.69 58.41 2nnf s THR 116 Cb -0.10 -2.31 0.32 0.00 1.34 0.00 0.00 72.50 71.75 2nnf s THR 116 CO 0.02 -0.35 1.10 -0.38 -0.54 0.00 0.00 174.62 174.47