#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 0.00 -0.89 2.46 -0.00 -1.26 -4.89 119.36 114.78 2nln n ILE 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 2nln n ILE 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 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 0.00 0.00 0.07 1.39 -2.24 -1.26 -4.86 114.28 107.39 2nln n THR 3 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 2nln n THR 3 Cb 0.00 -0.46 -0.06 0.00 -2.10 0.00 0.00 70.33 67.72 2nln n THR 3 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2nln h ASP 4 N 0.00 -0.31 -2.79 3.42 3.04 -1.98 -3.37 116.42 114.43 2nln h ASP 4 Ca 0.00 0.04 -0.57 0.00 -3.24 0.00 0.00 57.03 53.26 2nln h ASP 4 Cb 0.35 0.12 -0.39 0.00 -1.04 0.00 0.00 39.33 38.37 2nln h ASP 4 CO 0.00 -0.17 -0.81 -0.63 -2.04 0.00 0.00 179.24 175.59 2nln s ILE 5 N -6.15 0.30 -0.07 4.15 1.01 -1.26 -5.11 121.20 114.06 2nln s ILE 5 Ca -0.14 -1.55 -0.32 0.00 0.00 0.00 0.00 60.65 58.64 2nln s ILE 5 Cb 0.07 -1.23 0.12 0.00 0.01 0.00 0.00 42.46 41.44 2nln s ILE 5 CO 0.66 -0.89 1.20 -0.76 0.00 0.00 0.00 174.94 175.15 2nln s LEU 6 N 1.28 -0.12 -0.28 2.97 1.02 -1.26 -4.94 118.68 117.35 2nln s LEU 6 Ca 0.15 -0.09 -0.24 0.00 0.02 0.00 0.00 54.13 53.97 2nln s LEU 6 Cb -0.21 1.49 -0.00 0.00 0.02 0.00 0.00 46.19 47.48 2nln s LEU 6 CO -0.10 -0.34 0.80 -0.44 0.02 0.00 0.00 176.35 176.29 2nln s SER 7 N -2.62 6.73 0.12 2.29 0.01 -1.26 -4.96 113.70 114.01 2nln s SER 7 Ca 0.11 0.82 -0.22 0.00 1.31 0.00 0.00 55.95 57.98 2nln s SER 7 Cb 0.02 -2.42 -0.07 0.00 0.21 0.00 0.00 66.02 63.76 2nln s SER 7 CO -0.04 -0.57 1.69 0.00 0.41 0.00 0.00 173.24 174.74 2nln h ALA 8 N 7.93 -0.04 0.27 1.44 0.00 -1.99 0.05 119.26 126.92 2nln h ALA 8 Ca -0.24 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2nln h ALA 8 Cb 1.10 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2nln h ALA 8 CO 0.88 -0.56 -0.13 0.93 0.00 0.00 0.00 179.25 180.36 2nln h GLU 9 N -0.13 -0.35 -0.89 0.00 4.39 -1.99 -0.87 114.58 114.75 2nln h GLU 9 Ca 0.06 0.02 0.21 0.00 0.34 0.00 0.00 59.36 59.99 2nln h GLU 9 Cb 0.21 0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 28.88 2nln h GLU 9 CO -0.14 -0.16 0.59 -0.44 -1.16 0.00 0.00 179.01 177.71 2nln h ASP 10 N -0.47 0.33 -0.03 1.42 5.19 -1.94 0.26 116.42 121.18 2nln h ASP 10 Ca -0.04 0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.40 2nln h ASP 10 Cb 0.36 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.84 2nln h ASP 10 CO 0.06 0.13 0.01 0.40 -3.12 0.00 0.00 179.24 176.72 2nln h ILE 11 N 0.33 1.19 0.09 0.35 2.04 -0.22 1.24 117.51 122.52 2nln h ILE 11 Ca 0.46 -0.56 0.01 0.00 1.00 0.00 0.00 64.86 65.76 2nln h ILE 11 Cb 1.24 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.81 2nln h ILE 11 CO -0.15 0.15 -0.10 0.00 0.00 0.00 0.00 178.15 178.06 2nln h ALA 12 N 0.78 -0.18 0.29 1.87 0.00 0.74 1.05 119.26 123.82 2nln h ALA 12 Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2nln h ALA 12 Cb 0.24 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2nln h ALA 12 CO 0.00 -0.62 -0.14 0.00 0.00 0.00 0.00 179.25 178.49 2nln h ALA 13 N 0.69 -0.39 -0.65 0.00 0.00 -0.67 1.41 119.26 119.64 2nln h ALA 13 Ca 0.01 -0.12 0.14 0.00 0.00 0.00 0.00 54.91 54.94 2nln h ALA 13 Cb 0.21 0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.04 2nln h ALA 13 CO -0.04 -0.67 -0.05 0.00 0.00 0.00 0.00 179.25 178.49 2nln h ALA 14 N 0.19 0.59 0.17 0.00 0.00 0.19 1.36 119.26 121.76 2nln h ALA 14 Ca -0.04 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2nln h ALA 14 Cb 0.37 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2nln h ALA 14 CO 0.07 -0.41 -0.08 1.25 0.00 0.00 0.00 179.25 180.07 2nln h LEU 15 N 0.08 -0.19 0.00 0.00 6.46 0.14 -3.33 115.31 118.46 2nln h LEU 15 Ca 0.34 -0.20 0.00 0.00 -0.12 0.00 0.00 57.88 57.90 2nln h LEU 15 Cb 0.55 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.53 2nln h LEU 15 CO -0.60 0.35 0.00 0.00 -0.62 0.00 0.00 178.44 177.57 2nln n GLN 16 N -4.91 0.38 0.00 1.25 1.13 0.48 -2.89 117.38 112.82 2nln n GLN 16 Ca -0.05 0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 2nln n GLN 16 Cb 0.19 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.04 2nln n GLN 16 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 2nln n GLU 17 N -1.15 0.00 -0.10 -1.09 4.07 0.46 -4.17 120.64 118.67 2nln n GLU 17 Ca 0.10 0.40 0.07 0.00 -0.06 0.00 0.00 57.16 57.68 2nln n GLU 17 Cb 0.10 -1.36 0.12 0.00 -0.06 0.00 0.00 31.44 30.23 2nln n GLU 17 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2nln n GLN 19 N 0.84 0.42 0.00 0.00 7.27 -1.14 -4.72 117.38 120.06 2nln n GLN 19 Ca 0.11 0.15 0.00 0.00 0.07 0.00 0.00 57.00 57.33 2nln n GLN 19 Cb 0.42 -1.28 0.00 0.00 2.41 0.00 0.00 30.24 31.78 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 1.74 0.00 -3.27 1.69 8.00 -1.26 -4.96 116.55 118.49 2nln n ASP 20 Ca 0.14 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.38 2nln n ASP 20 Cb 0.30 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.38 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 -0.33 2.02 0.00 -0.24 -0.04 -1.26 -2.50 135.00 132.65 2nln n PRO 21 Ca 0.00 -1.56 0.00 0.00 -0.04 0.00 0.00 63.50 61.90 2nln n PRO 21 Cb 0.00 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 30.91 2nln n PRO 21 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2nln n ASP 22 N 4.81 0.00 -0.09 3.54 2.03 -1.26 -3.51 116.55 122.06 2nln n ASP 22 Ca 0.46 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.65 2nln n ASP 22 Cb 0.18 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.48 2nln n ASP 22 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2nln n THR 23 N 0.00 1.12 0.00 5.18 5.66 -1.04 -4.88 114.28 120.32 2nln n THR 23 Ca 0.00 -0.51 0.00 0.00 -3.05 0.00 0.00 64.05 60.49 2nln n THR 23 Cb 0.00 -1.01 0.00 0.00 -1.55 0.00 0.00 70.33 67.77 2nln n THR 23 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 2nln n PHE 24 N -2.92 0.00 -0.07 1.09 3.72 -1.26 -4.96 117.46 113.06 2nln n PHE 24 Ca -0.32 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 56.95 2nln n PHE 24 Cb 0.92 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.40 2nln n PHE 24 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2nln h GLU 25 N 0.00 0.52 0.00 -1.08 4.39 -1.89 -3.28 114.58 113.23 2nln h GLU 25 Ca 0.00 -0.28 -0.23 0.00 0.34 0.00 0.00 59.36 59.19 2nln h GLU 25 Cb 0.00 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 2nln h GLU 25 CO 0.00 0.87 -1.51 -0.35 -1.16 0.00 0.00 179.01 176.86 2nln n PRO 26 N -4.41 0.55 -0.27 2.33 -0.04 -1.26 -4.19 135.00 127.71 2nln n PRO 26 Ca -0.05 0.41 0.13 0.00 -0.04 0.00 0.00 63.50 63.95 2nln n PRO 26 Cb 0.42 -1.60 0.40 0.00 -0.04 0.00 0.00 33.50 32.68 2nln n PRO 26 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 2nln h GLN 27 N -1.00 0.62 -0.14 0.54 4.15 -1.87 -1.65 115.11 115.77 2nln h GLN 27 Ca -0.35 -0.04 -0.23 0.00 0.77 0.00 0.00 58.65 58.81 2nln h GLN 27 Cb 1.22 -0.14 0.01 0.00 0.21 0.00 0.00 27.48 28.78 2nln h GLN 27 CO -0.21 0.41 -0.80 0.87 -1.93 0.00 0.00 178.83 177.17 2nln h LYS 28 N 0.64 0.77 -0.45 1.69 1.79 -1.80 -2.35 116.57 116.87 2nln h LYS 28 Ca 0.46 -0.65 0.08 0.00 -2.18 0.00 0.00 60.65 58.36 2nln h LYS 28 Cb 0.82 0.14 -0.07 0.00 -1.58 0.00 0.00 32.23 31.54 2nln h LYS 28 CO -0.21 1.25 0.06 0.35 -1.08 0.00 0.00 179.45 179.82 2nln h PHE 29 N 0.52 0.09 0.57 -1.35 3.04 -1.45 -1.85 116.94 116.52 2nln h PHE 29 Ca -0.06 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.89 2nln h PHE 29 Cb 1.43 0.03 0.01 0.00 2.56 0.00 0.00 35.95 39.97 2nln h PHE 29 CO 0.09 -0.03 -0.27 0.74 -2.02 0.00 0.00 178.31 176.82 2nln h PHE 30 N 0.19 -0.70 0.32 0.41 0.04 -1.40 -3.25 116.94 112.54 2nln h PHE 30 Ca 0.22 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.96 2nln h PHE 30 Cb 0.30 0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.69 2nln h PHE 30 CO -0.24 -0.40 -0.16 1.96 -0.60 0.00 0.00 178.31 178.88 2nln h GLN 31 N -1.14 -0.42 -0.67 1.51 1.08 -1.37 1.93 115.11 116.03 2nln h GLN 31 Ca -0.08 0.03 0.12 0.00 -1.45 0.00 0.00 58.65 57.27 2nln h GLN 31 Cb 0.62 0.10 -0.12 0.00 -0.05 0.00 0.00 27.48 28.02 2nln h GLN 31 CO 0.13 -0.28 -0.33 1.15 -0.95 0.00 0.00 178.83 178.55 2nln h THR 32 N -0.45 0.15 0.00 -0.54 2.02 -1.53 -0.17 112.91 112.39 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 0.33 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 2nln h THR 32 CO 0.07 0.00 -0.13 -1.28 0.37 0.00 0.00 175.52 174.55 2nln h SER 33 N -0.12 0.00 0.00 4.18 0.87 -1.60 -3.44 113.55 113.43 2nln h SER 33 Ca 0.26 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 2nln h SER 33 Cb 0.56 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 2nln h SER 33 CO -0.74 0.55 -0.09 0.61 -0.53 0.00 0.00 176.83 176.64 2nln n GLY 34 N 1.74 -0.47 0.38 5.77 0.00 0.41 -4.71 105.19 108.31 2nln n GLY 34 Ca -0.02 -0.03 0.20 0.00 0.00 0.00 0.00 46.02 46.18 2nln n GLY 34 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2nln h LEU 35 N -0.09 0.56 -1.26 0.99 3.38 0.23 -0.93 115.31 118.20 2nln h LEU 35 Ca 0.00 0.11 0.36 0.00 0.09 0.00 0.00 57.88 58.45 2nln h LEU 35 Cb 0.09 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 2nln h LEU 35 CO 0.00 0.09 1.18 -1.54 0.09 0.00 0.00 178.44 178.26 2nln n SER 36 N -4.76 0.00 0.00 -0.43 3.41 -0.08 -3.06 113.62 108.70 2nln n SER 36 Ca 0.26 0.76 0.00 0.00 -0.26 0.00 0.00 58.87 59.64 2nln n SER 36 Cb 0.82 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 2nln n SER 36 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2nln n LYS 37 N -3.30 1.35 -0.75 4.33 5.02 -0.43 -5.10 118.16 119.26 2nln n LYS 37 Ca 0.28 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.25 2nln n LYS 37 Cb 1.55 -0.47 0.14 0.00 -0.02 0.00 0.00 35.03 36.23 2nln n LYS 37 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2nln n MET 38 N -0.38 -0.41 -1.59 1.97 2.81 -0.73 -5.00 117.12 113.80 2nln n MET 38 Ca 0.00 -0.07 -0.29 0.00 -1.81 0.00 0.00 57.70 55.53 2nln n MET 38 Cb 0.00 -1.99 0.15 0.00 -0.71 0.00 0.00 33.22 30.67 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 -2.18 3.35 0.11 7.83 0.15 -1.26 -4.88 113.70 116.82 2nln s SER 39 Ca 0.60 0.83 -0.18 0.00 0.70 0.00 0.00 55.95 57.89 2nln s SER 39 Cb -0.21 -1.30 -0.06 0.00 -1.71 0.00 0.00 66.02 62.74 2nln s SER 39 CO 0.65 -2.64 1.64 0.00 1.20 0.00 0.00 173.24 174.09 2nln h ALA 40 N -1.56 0.36 -0.65 5.45 0.00 -1.95 -3.23 119.26 117.68 2nln h ALA 40 Ca -0.49 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 54.41 2nln h ALA 40 Cb 1.32 -0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.88 2nln h ALA 40 CO 0.57 -0.03 -0.30 0.66 0.00 0.00 0.00 179.25 180.15 2nln h SER 41 N 0.29 -1.04 0.37 0.00 4.64 -2.01 0.48 113.55 116.28 2nln h SER 41 Ca 0.09 0.23 -0.05 0.00 -0.47 0.00 0.00 61.79 61.59 2nln h SER 41 Cb 0.20 0.55 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 2nln h SER 41 CO -0.01 -0.29 -0.26 0.06 -0.87 0.00 0.00 176.83 175.47 2nln h GLN 42 N -0.11 0.00 -0.72 4.77 3.07 -1.96 -2.13 115.11 118.02 2nln h GLN 42 Ca 0.27 0.00 0.03 0.00 0.09 0.00 0.00 58.65 59.04 2nln h GLN 42 Cb 0.55 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.07 2nln h GLN 42 CO -0.72 0.26 0.48 0.28 0.09 0.00 0.00 178.83 179.22 2nln h VAL 43 N 0.00 1.13 -0.56 1.86 2.07 -0.08 0.20 116.25 120.88 2nln h VAL 43 Ca -0.00 -0.31 0.10 0.00 0.82 0.00 0.00 66.70 67.30 2nln h VAL 43 Cb 0.52 0.14 -0.08 0.00 -1.52 0.00 0.00 31.29 30.36 2nln h VAL 43 CO 0.03 0.17 0.14 0.11 0.02 0.00 0.00 177.57 178.04 2nln h LYS 44 N 0.91 0.27 0.03 1.57 1.57 -0.90 0.85 116.57 120.86 2nln h LYS 44 Ca 0.28 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.04 2nln h LYS 44 Cb 0.01 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.26 2nln h LYS 44 CO -0.08 0.18 -0.01 -0.44 -0.57 0.00 0.00 179.45 178.53 2nln h ASP 45 N 0.28 -0.03 -0.24 0.86 5.19 -1.02 -2.90 116.42 118.56 2nln h ASP 45 Ca 0.28 -0.16 0.06 0.00 -0.62 0.00 0.00 57.03 56.59 2nln h ASP 45 Cb 0.39 0.01 -0.07 0.00 0.18 0.00 0.00 39.33 39.84 2nln h ASP 45 CO -0.35 0.14 -0.34 0.40 -3.12 0.00 0.00 179.24 175.98 2nln h ILE 46 N -0.21 0.24 -0.96 0.35 5.03 0.42 0.13 117.51 122.52 2nln h ILE 46 Ca -0.00 0.00 0.34 0.00 -0.12 0.00 0.00 64.86 65.07 2nln h ILE 46 Cb 0.19 0.24 -0.18 0.00 -3.03 0.00 0.00 36.82 34.05 2nln h ILE 46 CO 0.01 0.00 0.29 0.33 -0.68 0.00 0.00 178.15 178.09 2nln n PHE 47 N -5.41 0.88 0.15 1.37 7.35 0.28 0.12 117.46 122.20 2nln n PHE 47 Ca -0.02 1.14 0.19 0.00 -0.76 0.00 0.00 57.45 58.00 2nln n PHE 47 Cb 0.33 -1.39 0.71 0.00 0.35 0.00 0.00 39.48 39.49 2nln n PHE 47 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2nln h ARG 48 N 0.00 0.00 0.45 -4.13 2.47 -0.76 -1.28 114.38 111.13 2nln h ARG 48 Ca 0.71 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 59.42 2nln h ARG 48 Cb 1.71 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 30.00 2nln h ARG 48 CO -0.81 0.00 -0.51 0.35 0.56 0.00 0.00 179.97 179.56 2nln h PHE 49 N 0.00 -1.42 -3.48 3.04 3.57 0.84 -3.41 116.94 116.08 2nln h PHE 49 Ca 0.16 0.01 -0.53 0.00 3.53 0.00 0.00 57.97 61.14 2nln h PHE 49 Cb 1.15 0.56 -0.03 0.00 2.79 0.00 0.00 35.95 40.42 2nln h PHE 49 CO 0.00 -0.66 0.18 0.96 -2.23 0.00 0.00 178.31 176.56 2nln s ILE 50 N -5.86 4.54 0.00 1.41 -4.36 -0.48 -4.88 121.20 111.57 2nln s ILE 50 Ca -0.18 1.69 0.00 0.00 -0.26 0.00 0.00 60.65 61.90 2nln s ILE 50 Cb 0.05 -4.14 0.00 0.00 1.25 0.00 0.00 42.46 39.62 2nln s ILE 50 CO 0.61 0.44 0.00 0.47 0.24 0.00 0.00 174.94 176.70 2nln n ASP 51 N 2.20 0.00 -2.01 4.36 9.92 -1.26 -4.73 116.55 125.03 2nln n ASP 51 Ca -0.04 0.00 -0.17 0.00 -0.53 0.00 0.00 54.79 54.05 2nln n ASP 51 Cb 0.49 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.96 2nln n ASP 51 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2nln n ASN 52 N 0.01 6.19 -2.94 -2.24 6.94 -1.26 -4.72 115.26 117.23 2nln n ASN 52 Ca 0.00 -2.95 -0.13 0.00 -0.02 0.00 0.00 54.58 51.47 2nln n ASN 52 Cb 0.00 -1.15 0.07 0.00 -2.36 0.00 0.00 39.78 36.34 2nln n ASN 52 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2nln n ASP 53 N 0.87 -2.33 -0.25 0.53 -0.08 -1.26 -4.87 116.55 109.16 2nln n ASP 53 Ca 0.32 -0.50 0.31 0.00 -1.51 0.00 0.00 54.79 53.41 2nln n ASP 53 Cb 0.60 -4.21 0.72 0.00 2.34 0.00 0.00 41.12 40.56 2nln n ASP 53 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 2nln h GLN 54 N -1.47 0.03 -0.17 -0.67 7.50 -1.85 -2.94 115.11 115.55 2nln h GLN 54 Ca -0.47 -0.00 -0.19 0.00 0.50 0.00 0.00 58.65 58.48 2nln h GLN 54 Cb 1.27 -0.01 -0.31 0.00 0.05 0.00 0.00 27.48 28.49 2nln h GLN 54 CO 0.40 0.02 -0.80 0.45 -1.50 0.00 0.00 178.83 177.40 2nln n SER 55 N -4.26 0.42 0.00 1.46 2.88 -1.26 -4.96 113.62 107.90 2nln n SER 55 Ca 0.22 -2.05 0.00 0.00 -1.33 0.00 0.00 58.87 55.70 2nln n SER 55 Cb 1.07 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 64.45 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 -0.44 3.13 3.66 0.46 0.00 -1.11 -4.96 105.19 105.93 2nln n GLY 56 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.80 -0.26 0.05 1.61 1.51 -1.26 -4.95 117.35 111.24 2nln s TYR 57 Ca 0.00 -0.10 0.00 0.00 -1.01 0.00 0.00 57.07 55.97 2nln s TYR 57 Cb 0.00 0.59 -0.04 0.00 -0.11 0.00 0.00 41.96 42.40 2nln s TYR 57 CO 0.00 -1.06 0.16 -0.51 -1.11 0.00 0.00 175.55 173.03 2nln s LEU 58 N -2.86 4.16 0.07 -1.29 1.43 -1.20 -4.34 118.68 114.65 2nln s LEU 58 Ca 0.08 0.19 -0.08 0.00 -1.03 0.00 0.00 54.13 53.30 2nln s LEU 58 Cb -0.03 -2.70 -0.00 0.00 0.03 0.00 0.00 46.19 43.48 2nln s LEU 58 CO -0.01 0.20 0.16 -0.62 0.23 0.00 0.00 176.35 176.31 2nln s ASP 59 N -2.30 0.14 0.53 2.29 -1.08 -1.26 0.33 116.67 115.32 2nln s ASP 59 Ca 0.31 -0.62 0.45 0.00 -0.52 0.00 0.00 52.55 52.17 2nln s ASP 59 Cb -0.13 0.31 1.66 0.00 -1.46 0.00 0.00 42.92 43.30 2nln s ASP 59 CO 0.23 -0.67 1.60 1.23 0.52 0.00 0.00 175.17 178.08 2nln h GLY 60 N 3.00 0.34 0.38 2.66 0.00 -1.88 1.13 103.07 108.70 2nln h GLY 60 Ca -0.34 -0.03 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 2nln h GLY 60 CO 0.55 -0.11 -0.17 -1.80 0.00 0.00 0.00 176.54 175.01 2nln h ASP 61 N 0.01 0.15 1.00 0.19 1.82 -1.95 -3.33 116.42 114.30 2nln h ASP 61 Ca 0.89 -0.77 -0.19 0.00 -0.39 0.00 0.00 57.03 56.57 2nln h ASP 61 Cb 3.41 -0.05 -0.03 0.00 0.68 0.00 0.00 39.33 43.35 2nln h ASP 61 CO -0.12 0.90 -0.93 -0.33 -1.61 0.00 0.00 179.24 177.16 2nln h GLU 62 N -0.59 0.00 -0.89 0.28 4.39 -0.44 -3.33 114.58 114.00 2nln h GLU 62 Ca -0.02 0.00 0.24 0.00 0.34 0.00 0.00 59.36 59.92 2nln h GLU 62 Cb 0.93 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.43 2nln h GLU 62 CO 0.03 0.93 0.22 -0.07 -1.16 0.00 0.00 179.01 178.95 2nln h LEU 63 N 0.00 -0.05 -0.92 1.33 3.38 0.91 1.27 115.31 121.23 2nln h LEU 63 Ca -0.01 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2nln h LEU 63 Cb 1.67 0.29 0.00 0.00 0.09 0.00 0.00 40.66 42.71 2nln h LEU 63 CO 0.12 -0.19 0.00 2.29 0.09 0.00 0.00 178.44 180.75 2nln n LYS 64 N -5.26 0.11 0.22 1.13 2.85 -1.25 -1.31 118.16 114.64 2nln n LYS 64 Ca 0.22 0.55 0.14 0.00 -1.05 0.00 0.00 58.31 58.17 2nln n LYS 64 Cb 0.70 -1.82 0.35 0.00 -0.65 0.00 0.00 35.03 33.61 2nln n LYS 64 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 177.40 179.23 2nln h TYR 65 N 0.00 0.00 -0.79 5.58 0.05 0.14 -3.34 116.97 118.61 2nln h TYR 65 Ca 0.00 0.00 0.16 0.00 0.05 0.00 0.00 58.73 58.94 2nln h TYR 65 Cb 0.07 0.00 -0.15 0.00 1.01 0.00 0.00 36.73 37.66 2nln h TYR 65 CO 0.00 0.00 -0.21 0.35 -1.05 0.00 0.00 178.16 177.25 2nln h PHE 66 N 0.00 -0.46 -0.18 4.88 3.57 -1.28 1.23 116.94 124.70 2nln h PHE 66 Ca 0.00 0.07 -0.14 0.00 3.53 0.00 0.00 57.97 61.43 2nln h PHE 66 Cb 0.81 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 2nln h PHE 66 CO 0.00 -0.35 -0.49 -0.07 -2.23 0.00 0.00 178.31 175.18 2nln h LEU 67 N -0.01 0.51 0.00 0.59 3.38 -1.81 -2.69 115.31 115.28 2nln h LEU 67 Ca 0.37 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2nln h LEU 67 Cb 0.58 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2nln h LEU 67 CO -0.82 0.91 0.00 0.00 0.09 0.00 0.00 178.44 178.63 2nln n GLN 68 N -3.98 0.62 0.03 1.13 6.02 0.35 -1.12 117.38 120.44 2nln n GLN 68 Ca -0.02 0.02 -0.04 0.00 -0.01 0.00 0.00 57.00 56.94 2nln n GLN 68 Cb 0.56 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.29 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 -0.18 0.12 -1.09 1.79 0.91 -3.12 116.57 114.99 2nln h LYS 69 Ca 0.00 0.01 -0.29 0.00 -2.18 0.00 0.00 60.65 58.19 2nln h LYS 69 Cb 0.11 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.80 2nln h LYS 69 CO 0.00 -0.03 -1.40 0.74 -1.08 0.00 0.00 179.45 177.68 2nln h PHE 70 N -1.03 0.45 0.00 -1.35 -1.00 -1.68 -3.42 116.94 108.91 2nln h PHE 70 Ca -0.02 -0.33 0.00 0.00 2.81 0.00 0.00 57.97 60.43 2nln h PHE 70 Cb 0.24 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.78 2nln h PHE 70 CO 0.03 1.32 0.00 0.94 -1.61 0.00 0.00 178.31 178.99 2nln n GLN 71 N -3.47 0.00 0.00 1.51 7.27 -0.27 -5.03 117.38 117.38 2nln n GLN 71 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.94 2nln n GLN 71 Cb 1.03 -0.36 0.00 0.00 2.41 0.00 0.00 30.24 33.32 2nln n GLN 71 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2nln n SER 72 N -0.59 0.00 -0.82 1.69 7.64 -1.18 -4.99 113.62 115.38 2nln n SER 72 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 2nln n SER 72 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 2nln n SER 72 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2nln n ASP 73 N 0.00 -0.54 -4.63 6.43 2.03 -1.26 -5.01 116.55 113.56 2nln n ASP 73 Ca 0.00 -1.62 -0.35 0.00 0.52 0.00 0.00 54.79 53.34 2nln n ASP 73 Cb 0.00 0.16 0.10 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 0.02 -0.20 0.43 -1.67 0.00 -1.26 -4.84 120.51 112.98 2nln n ALA 74 Ca -0.16 -0.23 0.07 0.00 0.00 0.00 0.00 53.44 53.12 2nln n ALA 74 Cb 0.64 -2.15 0.30 0.00 0.00 0.00 0.00 19.45 18.24 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 -2.23 0.03 -1.28 0.00 0.00 -1.26 -4.82 116.66 107.09 2nln n ARG 75 Ca 0.13 0.30 0.00 0.00 -0.00 0.00 0.00 57.85 58.28 2nln n ARG 75 Cb 0.50 -1.55 0.00 0.00 -0.00 0.00 0.00 32.46 31.40 2nln n ARG 75 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2nln n GLU 76 N -1.60 0.00 -2.29 2.89 1.02 -1.26 -4.13 120.64 115.26 2nln n GLU 76 Ca 0.03 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.09 2nln n GLU 76 Cb 0.16 -1.38 -0.01 0.00 -0.02 0.00 0.00 31.44 30.18 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 -0.37 -0.15 0.00 -4.62 4.77 -1.26 -4.51 117.00 110.86 2nln n LEU 77 Ca 0.00 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2nln n LEU 77 Cb 0.28 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 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 -1.99 0.00 -0.07 -5.08 -2.24 -1.26 -0.77 114.28 102.87 2nln n THR 78 Ca 0.02 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.69 2nln n THR 78 Cb 0.32 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.50 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 0.39 -0.05 -0.78 5.08 -1.91 -3.34 114.58 113.97 2nln h GLU 79 Ca 0.00 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.17 2nln h GLU 79 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2nln h GLU 79 CO 0.00 0.62 -0.17 1.03 -1.00 0.00 0.00 179.01 179.48 2nln h SER 80 N 0.14 0.24 -0.66 1.42 0.87 -1.79 -3.36 113.55 110.40 2nln h SER 80 Ca 0.06 -0.63 0.09 0.00 -1.23 0.00 0.00 61.79 60.07 2nln h SER 80 Cb 0.46 -0.07 -0.07 0.00 -0.44 0.00 0.00 62.40 62.28 2nln h SER 80 CO 0.02 0.83 0.31 -0.08 -0.53 0.00 0.00 176.83 177.37 2nln h GLU 81 N -0.34 0.53 -0.05 2.24 4.22 -1.28 0.27 114.58 120.16 2nln h GLU 81 Ca -0.01 -0.03 0.02 0.00 0.08 0.00 0.00 59.36 59.42 2nln h GLU 81 Cb 0.81 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 2nln h GLU 81 CO 0.04 0.35 0.20 1.79 -2.18 0.00 0.00 179.01 179.20 2nln h THR 82 N 0.54 0.12 -0.70 0.32 1.35 -1.07 0.42 112.91 113.89 2nln h THR 82 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.18 2nln h THR 82 Cb 0.34 0.81 -0.03 0.00 -1.73 0.00 0.00 68.15 67.54 2nln h THR 82 CO -0.26 0.00 0.44 0.50 -0.25 0.00 0.00 175.52 175.94 2nln h LYS 83 N 0.00 0.94 0.22 4.72 3.64 -0.63 0.99 116.57 126.46 2nln h LYS 83 Ca 0.03 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2nln h LYS 83 Cb 0.42 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 2nln h LYS 83 CO -0.00 0.64 -0.26 0.77 -2.27 0.00 0.00 179.45 178.33 2nln h SER 84 N 0.96 -0.71 -0.77 4.20 0.02 -0.22 1.23 113.55 118.25 2nln h SER 84 Ca 0.25 0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.28 2nln h SER 84 Cb -0.06 0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 2nln h SER 84 CO -0.05 -0.37 0.51 -0.07 -1.14 0.00 0.00 176.83 175.71 2nln h LEU 85 N -0.53 0.88 -0.22 5.07 3.38 -1.40 -1.38 115.31 121.12 2nln h LEU 85 Ca 0.00 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.00 2nln h LEU 85 Cb 0.51 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 2nln h LEU 85 CO -0.08 0.64 -0.10 -0.03 0.09 0.00 0.00 178.44 178.95 2nln h MET 86 N 1.04 -0.07 0.00 1.13 4.05 0.19 0.11 114.93 121.39 2nln h MET 86 Ca 0.28 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.71 2nln h MET 86 Cb -0.12 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 30.70 2nln h MET 86 CO -0.06 -0.05 0.00 -0.25 0.23 0.00 0.00 176.91 176.78 2nln n ASP 87 N -5.26 0.00 0.17 1.39 9.92 0.42 -3.05 116.55 120.13 2nln n ASP 87 Ca -0.02 -0.20 0.01 0.00 -0.53 0.00 0.00 54.79 54.06 2nln n ASP 87 Cb 0.18 -0.15 0.29 0.00 -0.64 0.00 0.00 41.12 40.80 2nln n ASP 87 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2nln h ALA 88 N 2.86 1.23 -3.00 2.24 0.00 0.32 -3.47 119.26 119.45 2nln h ALA 88 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2nln h ALA 88 Cb 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2nln h ALA 88 CO 0.00 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.82 2nln n ALA 89 N -2.45 0.00 -2.65 0.00 0.00 -1.22 -4.57 120.51 109.62 2nln n ALA 89 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 2nln n ALA 89 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.49 5.10 -0.11 0.00 -0.08 -0.97 -4.68 116.55 115.32 2nln n ASP 90 Ca 0.00 -3.02 -0.19 0.00 -1.51 0.00 0.00 54.79 50.07 2nln n ASP 90 Cb 0.00 -1.55 -0.08 0.00 2.34 0.00 0.00 41.12 41.83 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 5.22 1.90 0.00 1.67 0.23 -1.17 0.15 115.26 123.26 2nln n ASN 91 Ca 0.39 0.41 0.09 0.00 -0.53 0.00 0.00 54.58 54.95 2nln n ASN 91 Cb 0.40 -0.85 0.48 0.00 -2.08 0.00 0.00 39.78 37.73 2nln n ASN 91 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2nln n ASP 92 N -4.41 0.00 0.00 0.53 -0.08 -1.26 -4.05 116.55 107.28 2nln n ASP 92 Ca -0.32 0.04 0.00 0.00 -1.51 0.00 0.00 54.79 53.00 2nln n ASP 92 Cb 0.65 -0.30 0.00 0.00 2.34 0.00 0.00 41.12 43.81 2nln n ASP 92 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2nln n GLY 93 N 0.34 0.34 0.00 0.27 0.00 -1.26 -4.92 105.19 99.96 2nln n GLY 93 Ca 0.09 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.22 2nln n GLY 93 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2nln n ASP 94 N -0.36 0.00 -1.43 1.61 9.92 -1.26 -4.88 116.55 120.15 2nln n ASP 94 Ca 0.00 0.23 -0.12 0.00 -0.53 0.00 0.00 54.79 54.37 2nln n ASP 94 Cb 0.00 -0.39 -0.05 0.00 -0.64 0.00 0.00 41.12 40.04 2nln n ASP 94 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2nln n GLY 95 N 0.72 1.05 3.64 0.44 0.00 0.12 -4.92 105.19 106.24 2nln n GLY 95 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.18 2.34 -0.31 1.61 0.00 -0.40 -2.79 119.74 117.02 2nln s LYS 96 Ca 0.00 -1.06 -0.00 0.00 0.00 0.00 0.00 55.97 54.90 2nln s LYS 96 Cb 0.00 -2.36 0.10 0.00 0.00 0.00 0.00 37.83 35.57 2nln s LYS 96 CO 0.00 0.48 0.09 0.42 0.00 0.00 0.00 175.35 176.33 2nln s ILE 97 N -1.56 1.04 0.39 3.79 -1.09 0.15 -2.30 121.20 121.62 2nln s ILE 97 Ca 0.26 -1.48 0.08 0.00 -2.23 0.00 0.00 60.65 57.27 2nln s ILE 97 Cb -0.10 -1.77 -0.04 0.00 -1.58 0.00 0.00 42.46 38.97 2nln s ILE 97 CO 0.17 -0.65 0.24 -0.83 -1.23 0.00 0.00 174.94 172.65 2nln s GLY 98 N 1.54 2.14 0.20 6.18 0.00 -1.26 -3.23 107.32 112.88 2nln s GLY 98 Ca 0.09 -1.94 -0.11 0.00 0.00 0.00 0.00 44.72 42.77 2nln s GLY 98 CO -0.23 -1.78 1.72 0.00 0.00 0.00 0.00 173.10 172.81 2nln h ALA 99 N 1.31 0.67 0.25 3.20 0.00 -1.94 1.43 119.26 124.18 2nln h ALA 99 Ca -0.43 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2nln h ALA 99 Cb 1.26 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2nln h ALA 99 CO 0.63 -0.29 -0.12 -0.44 0.00 0.00 0.00 179.25 179.04 2nln h ASP 100 N 0.28 -0.28 0.14 0.00 5.19 -1.98 0.55 116.42 120.31 2nln h ASP 100 Ca 0.29 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.70 2nln h ASP 100 Cb 0.41 0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.99 2nln h ASP 100 CO -0.36 -0.19 -0.07 -0.33 -3.12 0.00 0.00 179.24 175.16 2nln h GLU 101 N -0.34 -0.19 -0.59 3.56 3.07 -1.76 -1.98 114.58 116.34 2nln h GLU 101 Ca -0.03 0.01 0.10 0.00 -0.50 0.00 0.00 59.36 58.93 2nln h GLU 101 Cb 0.26 0.04 -0.07 0.00 -0.84 0.00 0.00 28.75 28.14 2nln h GLU 101 CO 0.06 -0.13 0.19 0.35 -1.40 0.00 0.00 179.01 178.08 2nln h PHE 102 N -0.20 0.33 -0.44 4.33 3.04 0.21 0.72 116.94 124.92 2nln h PHE 102 Ca -0.02 0.03 0.11 0.00 3.98 0.00 0.00 57.97 62.07 2nln h PHE 102 Cb 0.16 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 38.59 2nln h PHE 102 CO -0.07 0.06 0.31 1.96 -2.02 0.00 0.00 178.31 178.55 2nln h GLN 103 N 0.36 0.10 -0.44 1.11 1.08 0.60 -0.00 115.11 117.91 2nln h GLN 103 Ca 0.30 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.45 2nln h GLN 103 Cb 0.39 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.78 2nln h GLN 103 CO -0.32 0.07 0.09 0.93 -0.95 0.00 0.00 178.83 178.64 2nln h GLU 104 N 0.10 0.66 0.44 1.46 4.39 -0.12 -2.16 114.58 119.35 2nln h GLU 104 Ca 0.21 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 2nln h GLU 104 Cb 0.70 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 2nln h GLU 104 CO -0.02 0.61 -0.21 1.98 -1.16 0.00 0.00 179.01 180.21 2nln h MET 105 N 0.64 -0.57 -0.01 2.33 4.05 -0.91 0.30 114.93 120.76 2nln h MET 105 Ca 0.14 0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.59 2nln h MET 105 Cb 0.26 0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 31.19 2nln h MET 105 CO -0.00 -0.32 -0.04 -0.24 0.23 0.00 0.00 176.91 176.54 2nln h VAL 106 N -0.71 1.04 0.00 -5.77 3.04 -1.50 -0.80 116.25 111.54 2nln h VAL 106 Ca -0.06 -0.16 -0.09 0.00 -1.01 0.00 0.00 66.70 65.38 2nln h VAL 106 Cb 0.51 1.08 -0.01 0.00 -2.01 0.00 0.00 31.29 30.86 2nln h VAL 106 CO 0.10 0.05 -0.44 -0.74 -1.01 0.00 0.00 177.57 175.53 2nln h HIS 107 N 0.01 0.00 0.00 3.17 6.17 -1.13 -3.47 115.15 119.90 2nln h HIS 107 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 2nln h HIS 107 Cb 0.08 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.01 2nln h HIS 107 CO 0.00 0.41 0.00 0.45 0.71 0.00 0.00 177.93 179.50