#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nln n ILE 2 N 0.00 2.11 0.56 0.44 -0.00 -1.26 -4.83 119.36 116.38 2nln n ILE 2 Ca 0.00 -4.26 0.05 0.00 -0.00 0.00 0.00 62.75 58.55 2nln n ILE 2 Cb 0.00 -0.70 0.29 0.00 -0.00 0.00 0.00 39.64 39.23 2nln n ILE 2 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 2nln n THR 3 N -0.50 0.53 0.00 1.39 -2.24 -1.26 -3.83 114.28 108.37 2nln n THR 3 Ca 0.33 0.13 0.00 0.00 -2.27 0.00 0.00 64.05 62.24 2nln n THR 3 Cb 0.79 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 2nln n THR 3 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2nln n ASP 4 N -1.20 0.00 -3.87 3.42 2.03 -1.26 -4.24 116.55 111.42 2nln n ASP 4 Ca 0.06 0.90 -0.30 0.00 0.52 0.00 0.00 54.79 55.97 2nln n ASP 4 Cb 0.07 -0.40 -0.14 0.00 -0.72 0.00 0.00 41.12 39.93 2nln n ASP 4 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2nln s ILE 5 N -2.60 1.95 -0.12 5.18 1.01 -1.25 -5.07 121.20 120.31 2nln s ILE 5 Ca 0.00 -2.62 -0.33 0.00 0.00 0.00 0.00 60.65 57.70 2nln s ILE 5 Cb 0.00 -2.39 0.13 0.00 0.01 0.00 0.00 42.46 40.21 2nln s ILE 5 CO 0.00 -0.76 1.24 -0.76 0.00 0.00 0.00 174.94 174.65 2nln s LEU 6 N 0.43 -0.11 -0.20 2.97 1.43 -1.26 -4.90 118.68 117.03 2nln s LEU 6 Ca 0.15 -0.06 -0.26 0.00 -1.03 0.00 0.00 54.13 52.93 2nln s LEU 6 Cb -0.23 1.39 -0.00 0.00 0.03 0.00 0.00 46.19 47.38 2nln s LEU 6 CO -0.05 -0.27 0.90 -0.44 0.23 0.00 0.00 176.35 176.72 2nln s SER 7 N -2.50 6.98 0.12 2.29 0.01 -1.26 -4.96 113.70 114.38 2nln s SER 7 Ca 0.11 1.21 -0.23 0.00 1.31 0.00 0.00 55.95 58.36 2nln s SER 7 Cb 0.01 -2.48 -0.05 0.00 0.21 0.00 0.00 66.02 63.71 2nln s SER 7 CO -0.04 -0.51 1.68 0.00 0.41 0.00 0.00 173.24 174.77 2nln h ALA 8 N 7.45 -0.11 0.16 1.44 0.00 -1.98 0.13 119.26 126.35 2nln h ALA 8 Ca -0.25 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2nln h ALA 8 Cb 1.10 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2nln h ALA 8 CO 0.89 -0.61 -0.08 0.93 0.00 0.00 0.00 179.25 180.38 2nln h GLU 9 N -0.20 -0.20 -0.83 0.00 4.39 -2.00 -2.25 114.58 113.49 2nln h GLU 9 Ca 0.07 0.01 0.15 0.00 0.34 0.00 0.00 59.36 59.93 2nln h GLU 9 Cb 0.29 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.92 2nln h GLU 9 CO -0.17 0.06 0.54 -0.44 -1.16 0.00 0.00 179.01 177.84 2nln h ASP 10 N -0.46 0.50 -0.04 1.42 3.32 -1.95 0.19 116.42 119.41 2nln h ASP 10 Ca -0.02 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 2nln h ASP 10 Cb 0.36 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 2nln h ASP 10 CO 0.04 0.25 0.02 0.40 -1.72 0.00 0.00 179.24 178.23 2nln h ILE 11 N 0.53 1.09 0.01 0.35 2.04 -0.41 1.35 117.51 122.47 2nln h ILE 11 Ca 0.41 -0.27 0.02 0.00 1.00 0.00 0.00 64.86 66.03 2nln h ILE 11 Cb 0.83 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 2nln h ILE 11 CO -0.16 0.07 -0.13 0.00 0.00 0.00 0.00 178.15 177.93 2nln h ALA 12 N 0.91 -0.16 -0.12 1.87 0.00 -0.45 0.80 119.26 122.11 2nln h ALA 12 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2nln h ALA 12 Cb 0.11 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2nln h ALA 12 CO -0.00 -0.63 0.04 0.00 0.00 0.00 0.00 179.25 178.67 2nln h ALA 13 N 0.72 0.15 -0.52 0.00 0.00 -0.96 1.47 119.26 120.11 2nln h ALA 13 Ca 0.04 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 54.96 2nln h ALA 13 Cb 0.28 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.92 2nln h ALA 13 CO -0.12 -0.26 -0.18 0.00 0.00 0.00 0.00 179.25 178.69 2nln h ALA 14 N 0.88 0.25 0.17 0.00 0.00 0.22 1.36 119.26 122.14 2nln h ALA 14 Ca 0.04 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2nln h ALA 14 Cb 0.18 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2nln h ALA 14 CO -0.00 -0.50 -0.08 1.25 0.00 0.00 0.00 179.25 179.92 2nln h LEU 15 N -0.06 -0.19 0.00 0.00 6.46 0.87 -3.27 115.31 119.12 2nln h LEU 15 Ca 0.25 -0.31 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 2nln h LEU 15 Cb 0.44 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.42 2nln h LEU 15 CO -0.57 0.37 0.00 0.00 -0.62 0.00 0.00 178.44 177.62 2nln n GLN 16 N -4.92 0.26 0.00 1.25 3.00 0.50 -3.33 117.38 114.14 2nln n GLN 16 Ca -0.07 0.10 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 2nln n GLN 16 Cb 0.24 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.98 2nln n GLN 16 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 2nln n GLU 17 N -1.16 0.00 -0.12 -1.09 2.13 0.46 -4.28 120.64 116.57 2nln n GLU 17 Ca 0.07 0.24 0.08 0.00 0.66 0.00 0.00 57.16 58.21 2nln n GLU 17 Cb 0.07 -1.17 0.14 0.00 0.27 0.00 0.00 31.44 30.75 2nln n GLU 17 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2nln n GLN 19 N 0.92 0.58 0.00 0.00 7.27 -1.21 -4.63 117.38 120.31 2nln n GLN 19 Ca 0.13 0.21 0.00 0.00 0.07 0.00 0.00 57.00 57.40 2nln n GLN 19 Cb 0.45 -1.42 0.00 0.00 2.41 0.00 0.00 30.24 31.67 2nln n GLN 19 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2nln n ASP 20 N 1.53 0.00 -1.94 1.69 8.00 -1.26 -4.94 116.55 119.62 2nln n ASP 20 Ca 0.13 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.51 2nln n ASP 20 Cb 0.34 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.36 2nln n ASP 20 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2nln n PRO 21 N -0.32 1.79 0.00 -0.24 -0.04 -1.26 -3.58 135.00 131.35 2nln n PRO 21 Ca 0.00 -1.04 0.00 0.00 -0.04 0.00 0.00 63.50 62.42 2nln n PRO 21 Cb 0.00 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 2nln n PRO 21 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2nln n ASP 22 N 1.71 0.00 -0.13 3.54 5.75 -1.26 -3.54 116.55 122.63 2nln n ASP 22 Ca 0.31 0.00 -0.25 0.00 -0.01 0.00 0.00 54.79 54.84 2nln n ASP 22 Cb 0.71 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.72 2nln n ASP 22 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2nln n THR 23 N 0.00 1.51 0.00 2.12 -2.24 -1.23 -4.80 114.28 109.63 2nln n THR 23 Ca 0.00 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2nln n THR 23 Cb 0.00 -1.98 0.00 0.00 -2.10 0.00 0.00 70.33 66.25 2nln n THR 23 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 2nln n PHE 24 N -4.29 0.00 0.08 4.78 -1.74 -1.26 -4.81 117.46 110.22 2nln n PHE 24 Ca -0.45 0.00 -0.23 0.00 -0.56 0.00 0.00 57.45 56.21 2nln n PHE 24 Cb 0.80 0.00 -0.15 0.00 1.52 0.00 0.00 39.48 41.65 2nln n PHE 24 CO 0.00 0.00 0.00 1.05 -0.56 0.00 0.00 176.76 177.25 2nln h GLU 25 N 0.00 0.41 0.59 3.97 9.09 -1.87 -3.32 114.58 123.44 2nln h GLU 25 Ca 0.00 -0.70 -0.03 0.00 0.05 0.00 0.00 59.36 58.68 2nln h GLU 25 Cb 0.00 0.26 0.01 0.00 -1.65 0.00 0.00 28.75 27.37 2nln h GLU 25 CO 0.00 1.33 -0.28 -1.00 0.05 0.00 0.00 179.01 179.11 2nln h PRO 26 N 0.11 -0.76 -0.27 1.06 0.13 -1.95 -1.39 132.00 128.94 2nln h PRO 26 Ca -0.33 0.05 0.08 0.00 -0.87 0.00 0.00 66.00 64.93 2nln h PRO 26 Cb 2.11 0.17 -0.01 0.00 0.13 0.00 0.00 31.00 33.40 2nln h PRO 26 CO 0.19 -0.51 0.24 0.37 -0.23 0.00 0.00 178.00 178.06 2nln h GLN 27 N -1.13 0.00 -0.12 0.86 4.15 -1.91 0.30 115.11 117.26 2nln h GLN 27 Ca -0.08 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.26 2nln h GLN 27 Cb 0.60 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.29 2nln h GLN 27 CO 0.13 0.00 -0.25 0.87 -1.93 0.00 0.00 178.83 177.65 2nln h LYS 28 N 0.00 0.38 -0.40 1.69 1.79 -1.65 0.10 116.57 118.49 2nln h LYS 28 Ca 0.13 -0.25 0.08 0.00 -2.18 0.00 0.00 60.65 58.43 2nln h LYS 28 Cb 0.60 0.03 -0.08 0.00 -1.58 0.00 0.00 32.23 31.20 2nln h LYS 28 CO -0.00 0.85 -0.13 0.35 -1.08 0.00 0.00 179.45 179.44 2nln h PHE 29 N -0.03 -0.30 0.48 -1.35 3.04 0.19 -1.39 116.94 117.58 2nln h PHE 29 Ca 0.00 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.97 2nln h PHE 29 Cb 0.85 0.19 0.00 0.00 2.56 0.00 0.00 35.95 39.55 2nln h PHE 29 CO 0.10 -0.21 -0.23 0.74 -2.02 0.00 0.00 178.31 176.70 2nln h PHE 30 N -0.04 -0.60 0.28 0.41 0.04 -1.29 -3.26 116.94 112.47 2nln h PHE 30 Ca 0.19 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.94 2nln h PHE 30 Cb 0.34 0.20 -0.00 0.00 2.20 0.00 0.00 35.95 38.68 2nln h PHE 30 CO -0.38 -0.33 -0.20 0.37 -0.60 0.00 0.00 178.31 177.17 2nln h GLN 31 N -1.13 -0.44 -0.40 1.51 5.75 -0.68 2.03 115.11 121.75 2nln h GLN 31 Ca -0.07 0.03 0.08 0.00 -0.15 0.00 0.00 58.65 58.54 2nln h GLN 31 Cb 0.54 0.10 -0.09 0.00 1.07 0.00 0.00 27.48 29.10 2nln h GLN 31 CO 0.11 -0.29 -0.35 1.15 -2.65 0.00 0.00 178.83 176.80 2nln h THR 32 N -0.46 0.20 0.00 2.39 2.02 -1.45 -1.26 112.91 114.36 2nln h THR 32 Ca -0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.14 2nln h THR 32 Cb 0.38 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 2nln h THR 32 CO 0.02 0.00 -0.03 -1.28 0.37 0.00 0.00 175.52 174.60 2nln h SER 33 N -0.27 0.00 0.00 4.18 0.87 -1.59 -3.44 113.55 113.30 2nln h SER 33 Ca 0.17 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2nln h SER 33 Cb 0.55 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 2nln h SER 33 CO -0.55 0.41 -0.28 0.61 -0.53 0.00 0.00 176.83 176.49 2nln n GLY 34 N 1.81 -0.51 0.33 5.77 0.00 0.42 -4.67 105.19 108.33 2nln n GLY 34 Ca -0.00 -0.09 0.23 0.00 0.00 0.00 0.00 46.02 46.15 2nln n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2nln n LEU 35 N -3.07 0.10 -0.51 0.99 4.32 0.59 -0.91 117.00 118.52 2nln n LEU 35 Ca -0.04 1.64 0.39 0.00 -0.02 0.00 0.00 56.01 57.98 2nln n LEU 35 Cb 0.15 -0.69 0.60 0.00 -1.62 0.00 0.00 43.42 41.85 2nln n LEU 35 CO 0.06 -1.75 1.09 -1.54 -1.22 0.00 0.00 177.39 174.03 2nln n SER 36 N -5.34 0.02 0.00 -1.43 3.41 -0.48 -2.81 113.62 107.00 2nln n SER 36 Ca 0.30 0.79 0.00 0.00 -0.26 0.00 0.00 58.87 59.69 2nln n SER 36 Cb 1.00 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 2nln n SER 36 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2nln n LYS 37 N -3.54 2.39 -1.45 4.33 2.85 -0.08 -5.12 118.16 117.54 2nln n LYS 37 Ca 0.33 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 57.18 2nln n LYS 37 Cb 1.47 -0.50 0.01 0.00 -0.65 0.00 0.00 35.03 35.36 2nln n LYS 37 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 2nln n MET 38 N -0.31 0.56 -1.35 -1.58 2.81 -0.71 -4.96 117.12 111.59 2nln n MET 38 Ca 0.00 0.21 -0.29 0.00 -1.81 0.00 0.00 57.70 55.80 2nln n MET 38 Cb 0.00 -1.51 0.13 0.00 -0.71 0.00 0.00 33.22 31.14 2nln n MET 38 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2nln s SER 39 N -0.96 3.57 0.19 7.83 0.15 -1.26 -4.88 113.70 118.35 2nln s SER 39 Ca 0.63 1.28 -0.12 0.00 0.70 0.00 0.00 55.95 58.45 2nln s SER 39 Cb -0.59 -1.96 0.12 0.00 -1.71 0.00 0.00 66.02 61.88 2nln s SER 39 CO 0.58 -2.55 1.86 0.00 1.20 0.00 0.00 173.24 174.33 2nln h ALA 40 N -1.49 0.84 0.39 5.45 0.00 -1.95 -3.16 119.26 119.34 2nln h ALA 40 Ca -0.50 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 2nln h ALA 40 Cb 1.30 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2nln h ALA 40 CO 0.58 0.28 -0.52 0.77 0.00 0.00 0.00 179.25 180.35 2nln h SER 41 N 0.90 -1.47 -0.34 0.00 0.02 -2.01 -1.24 113.55 109.41 2nln h SER 41 Ca 0.24 0.13 0.10 0.00 -0.84 0.00 0.00 61.79 61.42 2nln h SER 41 Cb -0.09 0.50 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 2nln h SER 41 CO -0.05 -0.64 0.39 0.06 -1.14 0.00 0.00 176.83 175.45 2nln h GLN 42 N -0.94 0.00 -0.67 3.45 -0.00 -1.95 -0.00 115.11 114.99 2nln h GLN 42 Ca -0.05 0.00 0.07 0.00 -0.00 0.00 0.00 58.65 58.67 2nln h GLN 42 Cb 0.85 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 28.27 2nln h GLN 42 CO -0.13 0.00 0.36 0.28 -0.00 0.00 0.00 178.83 179.33 2nln h VAL 43 N 0.00 0.93 -1.04 1.86 2.07 -1.19 0.29 116.25 119.18 2nln h VAL 43 Ca 0.16 -0.22 0.26 0.00 0.82 0.00 0.00 66.70 67.72 2nln h VAL 43 Cb 0.95 0.23 -0.11 0.00 -1.52 0.00 0.00 31.29 30.84 2nln h VAL 43 CO -0.00 0.12 0.65 0.11 0.02 0.00 0.00 177.57 178.47 2nln h LYS 44 N 0.65 0.44 -0.13 1.57 1.57 -1.00 1.30 116.57 120.97 2nln h LYS 44 Ca 0.31 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.93 2nln h LYS 44 Cb 0.23 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2nln h LYS 44 CO -0.20 0.29 -0.45 -0.44 -0.57 0.00 0.00 179.45 178.08 2nln h ASP 45 N 0.45 0.62 1.00 0.86 3.32 -0.66 -3.16 116.42 118.86 2nln h ASP 45 Ca 0.62 -0.61 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 2nln h ASP 45 Cb 1.44 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 40.81 2nln h ASP 45 CO -0.36 1.12 -0.48 0.40 -1.72 0.00 0.00 179.24 178.20 2nln h ILE 46 N 0.15 0.00 -1.59 0.35 5.03 0.20 -2.65 117.51 119.00 2nln h ILE 46 Ca -0.02 -0.02 0.46 0.00 -0.12 0.00 0.00 64.86 65.16 2nln h ILE 46 Cb 1.07 0.00 -0.06 0.00 -3.03 0.00 0.00 36.82 34.80 2nln h ILE 46 CO 0.09 0.00 1.23 0.15 -0.68 0.00 0.00 178.15 178.95 2nln h PHE 47 N -1.36 0.00 -0.63 1.37 3.57 0.13 0.23 116.94 120.25 2nln h PHE 47 Ca -0.14 0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.55 2nln h PHE 47 Cb 1.03 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.74 2nln h PHE 47 CO -0.00 0.00 0.51 0.00 -2.23 0.00 0.00 178.31 176.59 2nln h ARG 48 N 0.00 0.00 0.24 1.11 2.47 -1.43 -1.75 114.38 115.03 2nln h ARG 48 Ca 0.76 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.48 2nln h ARG 48 Cb 3.21 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 31.50 2nln h ARG 48 CO -0.01 0.00 -0.47 0.35 0.56 0.00 0.00 179.97 180.40 2nln h PHE 49 N 0.00 -1.35 -3.36 3.04 3.57 -0.70 -3.39 116.94 114.75 2nln h PHE 49 Ca 0.30 0.03 -0.55 0.00 3.53 0.00 0.00 57.97 61.28 2nln h PHE 49 Cb 1.31 0.56 -0.04 0.00 2.79 0.00 0.00 35.95 40.58 2nln h PHE 49 CO 0.00 -0.57 0.34 0.96 -2.23 0.00 0.00 178.31 176.81 2nln s ILE 50 N -5.52 4.90 0.00 1.41 -4.36 -0.66 -4.83 121.20 112.14 2nln s ILE 50 Ca -0.15 1.87 0.00 0.00 -0.26 0.00 0.00 60.65 62.11 2nln s ILE 50 Cb 0.05 -4.24 0.00 0.00 1.25 0.00 0.00 42.46 39.52 2nln s ILE 50 CO 0.55 0.14 0.00 0.47 0.24 0.00 0.00 174.94 176.34 2nln n ASP 51 N 4.21 0.00 0.00 4.36 8.00 -1.26 -4.91 116.55 126.95 2nln n ASP 51 Ca 0.05 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.33 2nln n ASP 51 Cb 0.50 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.47 2nln n ASP 51 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2nln h ASN 52 N 0.50 0.37 -4.68 -2.24 7.08 -1.86 -3.46 115.58 111.30 2nln h ASN 52 Ca 0.00 -0.86 -0.06 0.00 -3.08 0.00 0.00 56.30 52.30 2nln h ASN 52 Cb 0.00 -0.12 -0.20 0.00 -2.08 0.00 0.00 38.32 35.92 2nln h ASN 52 CO 0.00 1.72 0.11 -1.81 -2.08 0.00 0.00 177.43 175.37 2nln s ASP 53 N -7.05 -0.63 0.35 6.14 1.01 -1.26 -5.00 116.67 110.23 2nln s ASP 53 Ca -0.22 0.86 0.00 0.00 0.71 0.00 0.00 52.55 53.90 2nln s ASP 53 Cb 0.06 0.78 0.00 0.00 1.01 0.00 0.00 42.92 44.76 2nln s ASP 53 CO 0.76 -0.48 0.00 0.00 0.21 0.00 0.00 175.17 175.66 2nln n GLN 54 N 1.51 0.00 -2.74 8.23 6.02 -1.26 -5.01 117.38 124.12 2nln n GLN 54 Ca -0.18 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.78 2nln n GLN 54 Cb 0.56 0.00 0.07 0.00 1.02 0.00 0.00 30.24 31.90 2nln n GLN 54 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2nln n SER 55 N -3.25 0.38 0.00 1.08 2.88 -1.26 -4.96 113.62 108.50 2nln n SER 55 Ca 0.00 -2.26 0.00 0.00 -1.33 0.00 0.00 58.87 55.28 2nln n SER 55 Cb 0.00 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 2nln n SER 55 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2nln n GLY 56 N -0.73 2.98 3.55 0.46 0.00 -1.26 -4.95 105.19 105.24 2nln n GLY 56 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2nln n GLY 56 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nln s TYR 57 N -2.25 -0.35 -0.48 1.61 1.51 -1.26 -4.98 117.35 111.16 2nln s TYR 57 Ca 0.00 0.04 -0.12 0.00 -1.01 0.00 0.00 57.07 55.98 2nln s TYR 57 Cb 0.00 0.55 0.11 0.00 -0.11 0.00 0.00 41.96 42.51 2nln s TYR 57 CO 0.00 -0.96 0.37 -0.51 -1.11 0.00 0.00 175.55 173.34 2nln s LEU 58 N -2.82 5.69 0.35 -1.29 1.43 -0.83 -4.63 118.68 116.58 2nln s LEU 58 Ca 0.05 -1.71 0.06 0.00 -1.03 0.00 0.00 54.13 51.51 2nln s LEU 58 Cb -0.02 -2.08 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 2nln s LEU 58 CO -0.06 -0.69 0.49 1.51 0.23 0.00 0.00 176.35 177.83 2nln s ASP 59 N 2.77 5.94 0.54 2.29 -4.77 -1.26 0.20 116.67 122.38 2nln s ASP 59 Ca 0.04 -0.19 0.45 0.00 -3.30 0.00 0.00 52.55 49.55 2nln s ASP 59 Cb -0.26 -1.19 1.66 0.00 -1.09 0.00 0.00 42.92 42.04 2nln s ASP 59 CO 0.02 -0.47 1.63 1.23 0.70 0.00 0.00 175.17 178.28 2nln h GLY 60 N 0.85 0.18 0.81 2.12 0.00 -1.95 1.45 103.07 106.53 2nln h GLY 60 Ca -0.45 -0.02 -0.18 0.00 0.00 0.00 0.00 47.33 46.68 2nln h GLY 60 CO 0.52 -0.05 -0.72 -1.80 0.00 0.00 0.00 176.54 174.48 2nln h ASP 61 N 0.01 0.55 0.39 0.19 1.82 -1.92 -3.31 116.42 114.15 2nln h ASP 61 Ca 0.84 -0.82 -0.20 0.00 -0.39 0.00 0.00 57.03 56.47 2nln h ASP 61 Cb 3.27 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 43.11 2nln h ASP 61 CO -0.06 1.31 -0.82 -0.33 -1.61 0.00 0.00 179.24 177.72 2nln h GLU 62 N -0.13 0.33 -0.91 0.28 4.39 0.11 -3.28 114.58 115.37 2nln h GLU 62 Ca -0.10 -0.31 0.25 0.00 0.34 0.00 0.00 59.36 59.53 2nln h GLU 62 Cb 1.46 0.08 -0.14 0.00 -0.10 0.00 0.00 28.75 30.05 2nln h GLU 62 CO 0.14 0.99 0.38 -0.07 -1.16 0.00 0.00 179.01 179.28 2nln h LEU 63 N 0.20 0.26 -2.72 1.33 3.38 0.93 0.84 115.31 119.53 2nln h LEU 63 Ca -0.05 0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2nln h LEU 63 Cb 1.42 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.35 2nln h LEU 63 CO 0.14 -0.08 -0.01 0.11 0.09 0.00 0.00 178.44 178.69 2nln h LYS 64 N 0.32 0.00 0.00 1.13 1.57 -1.69 -1.23 116.57 116.67 2nln h LYS 64 Ca 0.59 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.37 2nln h LYS 64 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2nln h LYS 64 CO -0.59 0.01 0.00 1.88 -0.57 0.00 0.00 179.45 180.18 2nln h TYR 65 N 0.00 0.00 -0.71 -1.35 0.05 0.54 -3.32 116.97 112.18 2nln h TYR 65 Ca -0.00 0.00 0.13 0.00 0.05 0.00 0.00 58.73 58.91 2nln h TYR 65 Cb 0.06 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 37.67 2nln h TYR 65 CO 0.00 0.00 -0.26 0.35 -1.05 0.00 0.00 178.16 177.20 2nln h PHE 66 N 0.00 -0.65 -0.04 4.88 3.57 -1.26 1.59 116.94 125.04 2nln h PHE 66 Ca 0.00 0.07 -0.10 0.00 3.53 0.00 0.00 57.97 61.47 2nln h PHE 66 Cb 0.63 0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 2nln h PHE 66 CO 0.00 -0.35 -0.44 -0.07 -2.23 0.00 0.00 178.31 175.22 2nln h LEU 67 N -0.06 0.09 -0.18 0.59 3.38 -1.80 -2.67 115.31 114.66 2nln h LEU 67 Ca 0.31 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2nln h LEU 67 Cb 0.55 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2nln h LEU 67 CO -0.75 0.52 0.00 0.00 0.09 0.00 0.00 178.44 178.30 2nln n GLN 68 N -4.01 0.19 -0.05 1.13 6.02 0.46 -0.39 117.38 120.73 2nln n GLN 68 Ca -0.02 0.24 -0.07 0.00 -0.01 0.00 0.00 57.00 57.15 2nln n GLN 68 Cb 0.48 -1.76 -0.06 0.00 1.02 0.00 0.00 30.24 29.92 2nln n GLN 68 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 2nln h LYS 69 N 0.00 -0.02 0.01 -1.09 1.79 0.14 -2.96 116.57 114.45 2nln h LYS 69 Ca 0.00 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.27 2nln h LYS 69 Cb 0.57 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.25 2nln h LYS 69 CO 0.00 0.44 -0.79 0.35 -1.08 0.00 0.00 179.45 178.37 2nln h PHE 70 N -0.99 0.77 0.00 -1.35 3.57 -1.62 -3.41 116.94 113.90 2nln h PHE 70 Ca -0.00 -0.43 0.00 0.00 3.53 0.00 0.00 57.97 61.07 2nln h PHE 70 Cb 0.46 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.12 2nln h PHE 70 CO 0.13 1.26 0.00 0.94 -2.23 0.00 0.00 178.31 178.40 2nln n GLN 71 N -4.08 0.00 0.00 1.11 7.27 0.47 -5.03 117.38 117.13 2nln n GLN 71 Ca -0.11 0.09 0.00 0.00 0.07 0.00 0.00 57.00 57.05 2nln n GLN 71 Cb 0.76 -0.50 0.00 0.00 2.41 0.00 0.00 30.24 32.91 2nln n GLN 71 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2nln n SER 72 N -1.05 0.00 -0.83 1.69 2.88 -1.12 -4.98 113.62 110.21 2nln n SER 72 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 2nln n SER 72 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 2nln n SER 72 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2nln n ASP 73 N 0.00 -0.65 -4.71 -3.46 2.03 -1.26 -5.01 116.55 103.50 2nln n ASP 73 Ca 0.00 -1.65 -0.37 0.00 0.52 0.00 0.00 54.79 53.29 2nln n ASP 73 Cb 0.00 0.19 0.07 0.00 -0.72 0.00 0.00 41.12 40.66 2nln n ASP 73 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2nln n ALA 74 N 0.00 0.93 0.56 -1.67 0.00 -1.26 -4.86 120.51 114.21 2nln n ALA 74 Ca -0.18 -0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.32 2nln n ALA 74 Cb 0.63 -2.28 0.34 0.00 0.00 0.00 0.00 19.45 18.13 2nln n ALA 74 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2nln n ARG 75 N -1.80 0.05 -0.88 0.00 1.85 -1.26 -4.82 116.66 109.80 2nln n ARG 75 Ca 0.16 0.22 0.00 0.00 -1.00 0.00 0.00 57.85 57.22 2nln n ARG 75 Cb 0.48 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.39 2nln n ARG 75 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2nln n GLU 76 N -1.45 0.00 -2.23 2.89 1.02 -1.26 -4.29 120.64 115.31 2nln n GLU 76 Ca 0.04 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.11 2nln n GLU 76 Cb 0.17 -0.91 -0.01 0.00 -0.02 0.00 0.00 31.44 30.66 2nln n GLU 76 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2nln n LEU 77 N -0.21 -0.15 0.00 -4.62 4.77 -1.26 -4.56 117.00 110.96 2nln n LEU 77 Ca 0.00 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2nln n LEU 77 Cb 0.18 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 2nln n LEU 77 CO 0.00 0.02 0.00 0.35 -1.33 0.00 0.00 177.39 176.43 2nln n THR 78 N -1.90 0.00 -0.03 -5.08 -2.24 -1.26 -1.45 114.28 102.31 2nln n THR 78 Ca 0.02 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.67 2nln n THR 78 Cb 0.30 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.44 2nln n THR 78 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2nln h GLU 79 N 0.00 0.17 0.00 -0.78 5.08 -1.88 -3.35 114.58 113.82 2nln h GLU 79 Ca 0.00 -0.11 -0.14 0.00 -1.00 0.00 0.00 59.36 58.11 2nln h GLU 79 Cb 0.00 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2nln h GLU 79 CO 0.00 0.69 -0.67 1.03 -1.00 0.00 0.00 179.01 179.06 2nln h SER 80 N -0.32 0.00 -0.05 1.42 0.87 -1.76 -3.35 113.55 110.36 2nln h SER 80 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2nln h SER 80 Cb 0.68 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.64 2nln h SER 80 CO 0.02 0.67 -0.02 -0.08 -0.53 0.00 0.00 176.83 176.89 2nln h GLU 81 N 0.00 0.09 -0.01 2.24 4.22 -1.44 -2.17 114.58 117.51 2nln h GLU 81 Ca -0.01 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.40 2nln h GLU 81 Cb 1.42 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.66 2nln h GLU 81 CO 0.09 0.47 0.09 1.79 -2.18 0.00 0.00 179.01 179.26 2nln h THR 82 N -0.29 0.06 -0.88 0.32 1.35 -1.39 0.68 112.91 112.77 2nln h THR 82 Ca 0.01 0.00 0.16 0.00 -0.55 0.00 0.00 66.41 66.03 2nln h THR 82 Cb 0.44 0.92 -0.07 0.00 -1.73 0.00 0.00 68.15 67.71 2nln h THR 82 CO 0.01 0.00 0.57 0.50 -0.25 0.00 0.00 175.52 176.35 2nln h LYS 83 N 0.00 0.58 0.55 4.72 1.63 -1.52 1.30 116.57 123.84 2nln h LYS 83 Ca 0.01 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 2nln h LYS 83 Cb 0.18 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.68 2nln h LYS 83 CO -0.00 0.38 -0.30 0.77 -3.45 0.00 0.00 179.45 176.85 2nln h SER 84 N 0.60 -0.74 -0.63 4.20 0.02 -0.94 0.31 113.55 116.37 2nln h SER 84 Ca 0.45 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.42 2nln h SER 84 Cb 0.85 0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.56 2nln h SER 84 CO -0.20 -0.49 0.35 -0.07 -1.14 0.00 0.00 176.83 175.28 2nln h LEU 85 N -0.80 0.79 0.20 5.07 3.38 -0.77 0.32 115.31 123.51 2nln h LEU 85 Ca -0.07 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2nln h LEU 85 Cb 0.63 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2nln h LEU 85 CO 0.09 0.64 -0.16 0.24 0.09 0.00 0.00 178.44 179.34 2nln h MET 86 N 0.90 -0.36 0.00 1.13 2.86 0.19 -1.38 114.93 118.26 2nln h MET 86 Ca 0.23 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 2nln h MET 86 Cb 0.03 0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.77 2nln h MET 86 CO -0.04 -0.24 0.00 -0.25 1.06 0.00 0.00 176.91 177.44 2nln n ASP 87 N -5.29 0.00 0.16 1.22 8.00 0.10 -3.20 116.55 117.55 2nln n ASP 87 Ca -0.08 -0.26 0.02 0.00 0.71 0.00 0.00 54.79 55.17 2nln n ASP 87 Cb 0.20 -0.16 0.25 0.00 -0.02 0.00 0.00 41.12 41.40 2nln n ASP 87 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2nln h ALA 88 N 3.03 1.04 -3.00 2.24 0.00 0.23 -3.46 119.26 119.33 2nln h ALA 88 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2nln h ALA 88 Cb 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2nln h ALA 88 CO 0.00 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.88 2nln n ALA 89 N -2.38 0.27 -2.23 0.00 0.00 -1.23 -4.70 120.51 110.23 2nln n ALA 89 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.00 2nln n ALA 89 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 2nln n ALA 89 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2nln n ASP 90 N -0.19 4.62 -0.10 0.00 -0.08 -1.00 -4.60 116.55 115.19 2nln n ASP 90 Ca 0.00 -2.96 -0.14 0.00 -1.51 0.00 0.00 54.79 50.18 2nln n ASP 90 Cb 0.00 -1.61 -0.05 0.00 2.34 0.00 0.00 41.12 41.80 2nln n ASP 90 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 2nln n ASN 91 N 5.76 1.92 0.00 1.67 0.23 -1.19 0.60 115.26 124.24 2nln n ASN 91 Ca 0.46 0.39 0.11 0.00 -0.53 0.00 0.00 54.58 55.00 2nln n ASN 91 Cb 0.40 -0.79 0.53 0.00 -2.08 0.00 0.00 39.78 37.83 2nln n ASN 91 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2nln n ASP 92 N -4.44 0.00 0.00 0.53 8.00 -1.26 -4.44 116.55 114.95 2nln n ASP 92 Ca -0.23 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.33 2nln n ASP 92 Cb 0.57 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 2nln n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nln n GLY 93 N 0.57 0.55 0.17 0.44 0.00 -1.26 -5.01 105.19 100.65 2nln n GLY 93 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 2nln n GLY 93 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2nln h ASP 94 N 0.00 -0.29 0.00 1.61 3.58 -1.82 -3.49 116.42 116.02 2nln h ASP 94 Ca 0.00 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.29 2nln h ASP 94 Cb 0.00 0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2nln h ASP 94 CO 0.00 0.22 0.00 0.61 -2.88 0.00 0.00 179.24 177.19 2nln n GLY 95 N 0.67 1.01 3.86 -0.78 0.00 0.20 -4.99 105.19 105.17 2nln n GLY 95 Ca -0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 2nln n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nln s LYS 96 N -0.23 2.88 -0.29 1.61 0.00 -1.05 -3.38 119.74 119.28 2nln s LYS 96 Ca 0.00 -1.15 -0.01 0.00 0.00 0.00 0.00 55.97 54.82 2nln s LYS 96 Cb 0.00 -2.57 0.09 0.00 0.00 0.00 0.00 37.83 35.35 2nln s LYS 96 CO 0.00 0.22 0.08 0.42 0.00 0.00 0.00 175.35 176.07 2nln s ILE 97 N -2.21 0.95 0.38 3.79 -1.09 0.54 -2.38 121.20 121.18 2nln s ILE 97 Ca 0.38 -1.32 0.08 0.00 -2.23 0.00 0.00 60.65 57.56 2nln s ILE 97 Cb -0.07 -1.64 -0.07 0.00 -1.58 0.00 0.00 42.46 39.10 2nln s ILE 97 CO 0.27 -0.57 0.01 -0.83 -1.23 0.00 0.00 174.94 172.59 2nln s GLY 98 N 1.60 2.33 0.21 6.18 0.00 -1.26 -1.96 107.32 114.41 2nln s GLY 98 Ca 0.07 -2.16 -0.10 0.00 0.00 0.00 0.00 44.72 42.53 2nln s GLY 98 CO -0.21 -2.02 1.71 0.00 0.00 0.00 0.00 173.10 172.59 2nln h ALA 99 N 1.79 0.73 -0.05 3.20 0.00 -1.94 1.23 119.26 124.22 2nln h ALA 99 Ca -0.43 0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.61 2nln h ALA 99 Cb 1.25 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 2nln h ALA 99 CO 0.74 -0.28 -0.04 0.22 0.00 0.00 0.00 179.25 179.89 2nln h ASP 100 N 0.29 -0.13 -0.03 0.00 1.82 -1.98 0.93 116.42 117.33 2nln h ASP 100 Ca 0.31 0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.98 2nln h ASP 100 Cb 0.45 0.07 -0.00 0.00 0.68 0.00 0.00 39.33 40.52 2nln h ASP 100 CO -0.38 -0.06 0.01 -0.33 -1.61 0.00 0.00 179.24 176.87 2nln h GLU 101 N -0.05 0.04 -0.39 0.28 3.07 -1.64 -2.33 114.58 113.55 2nln h GLU 101 Ca 0.04 -0.01 0.03 0.00 -0.50 0.00 0.00 59.36 58.92 2nln h GLU 101 Cb 0.11 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 27.98 2nln h GLU 101 CO -0.08 0.16 0.19 0.35 -1.40 0.00 0.00 179.01 178.23 2nln h PHE 102 N -0.09 0.35 -0.88 4.33 3.04 0.17 -1.20 116.94 122.67 2nln h PHE 102 Ca 0.01 0.02 0.22 0.00 3.98 0.00 0.00 57.97 62.20 2nln h PHE 102 Cb 0.13 -0.10 -0.05 0.00 2.56 0.00 0.00 35.95 38.49 2nln h PHE 102 CO -0.03 0.18 0.60 1.96 -2.02 0.00 0.00 178.31 179.00 2nln h GLN 103 N 0.39 0.21 -0.03 1.11 1.08 0.11 0.59 115.11 118.57 2nln h GLN 103 Ca 0.17 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.31 2nln h GLN 103 Cb 0.08 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 2nln h GLN 103 CO -0.12 0.14 -0.17 0.93 -0.95 0.00 0.00 178.83 178.66 2nln h GLU 104 N 0.21 0.05 0.45 1.46 4.39 -0.66 -2.50 114.58 117.99 2nln h GLU 104 Ca 0.44 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 60.11 2nln h GLU 104 Cb 1.38 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 2nln h GLU 104 CO -0.10 0.23 -0.22 1.98 -1.16 0.00 0.00 179.01 179.74 2nln h MET 105 N 0.05 -0.58 0.00 2.33 4.05 0.25 0.83 114.93 121.85 2nln h MET 105 Ca 0.01 0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.45 2nln h MET 105 Cb 0.34 0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 31.27 2nln h MET 105 CO 0.02 -0.32 -0.07 -0.24 0.23 0.00 0.00 176.91 176.54 2nln h VAL 106 N -0.76 0.89 0.22 -5.77 3.04 -1.50 -2.48 116.25 109.89 2nln h VAL 106 Ca -0.06 -0.25 -0.34 0.00 -1.01 0.00 0.00 66.70 65.04 2nln h VAL 106 Cb 0.54 1.14 0.02 0.00 -2.01 0.00 0.00 31.29 30.98 2nln h VAL 106 CO 0.10 0.07 -1.55 -0.74 -1.01 0.00 0.00 177.57 174.44 2nln h HIS 107 N 0.00 0.83 0.00 3.17 6.17 -1.21 -3.49 115.15 120.63 2nln h HIS 107 Ca -0.00 -0.61 0.00 0.00 0.71 0.00 0.00 60.37 60.47 2nln h HIS 107 Cb 0.13 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 30.03 2nln h HIS 107 CO 0.00 1.56 0.00 -1.13 0.71 0.00 0.00 177.93 179.07