#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yru n SER 2 N 0.00 0.83 -1.28 1.61 2.88 -1.26 -5.15 113.62 111.25 2yru n SER 2 Ca 0.00 0.20 0.16 0.00 -1.33 0.00 0.00 58.87 57.91 2yru n SER 2 Cb 0.00 -0.18 -0.07 0.00 -0.75 0.00 0.00 64.21 63.21 2yru n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2yru n SER 3 N -3.48 -7.56 0.00 -3.46 7.64 -1.26 -5.08 113.62 100.42 2yru n SER 3 Ca 0.00 0.99 0.00 0.00 1.01 0.00 0.00 58.87 60.87 2yru n SER 3 Cb 0.02 -4.20 0.00 0.00 -1.01 0.00 0.00 64.21 59.02 2yru n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yru n GLY 4 N -4.10 0.19 3.12 0.23 0.00 -1.26 -5.15 105.19 98.21 2yru n GLY 4 Ca -0.04 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 2yru n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yru s SER 5 N 0.00 0.03 -0.13 1.61 1.04 -1.26 -5.14 113.70 109.85 2yru s SER 5 Ca 0.00 0.72 -0.07 0.00 0.48 0.00 0.00 55.95 57.07 2yru s SER 5 Cb 0.00 1.13 0.05 0.00 0.10 0.00 0.00 66.02 67.30 2yru s SER 5 CO 0.00 -0.25 0.31 -0.55 0.98 0.00 0.00 173.24 173.73 2yru s SER 6 N 2.55 -0.36 0.34 7.02 0.15 -1.26 -5.17 113.70 116.97 2yru s SER 6 Ca 0.02 0.67 0.03 0.00 0.70 0.00 0.00 55.95 57.38 2yru s SER 6 Cb -0.13 0.57 -0.04 0.00 -1.71 0.00 0.00 66.02 64.71 2yru s SER 6 CO -0.12 -0.17 0.12 -0.83 1.20 0.00 0.00 173.24 173.43 2yru s GLY 7 N 1.19 2.23 -0.28 9.45 0.00 -1.26 -5.15 107.32 113.50 2yru s GLY 7 Ca -0.08 -1.66 -0.03 0.00 0.00 0.00 0.00 44.72 42.95 2yru s GLY 7 CO -0.09 -1.73 0.53 0.14 0.00 0.00 0.00 173.10 171.95 2yru s VAL 8 N -3.40 -0.87 0.03 1.40 1.01 -1.26 -5.15 120.40 112.16 2yru s VAL 8 Ca 0.32 -0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.37 2yru s VAL 8 Cb 0.05 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 2yru s VAL 8 CO 0.15 -0.03 -0.25 -0.63 0.00 0.00 0.00 175.10 174.35 2yru s ILE 9 N 2.76 2.26 0.00 2.22 -1.09 -1.26 -4.99 121.20 121.10 2yru s ILE 9 Ca 0.15 -1.30 0.00 0.00 -2.23 0.00 0.00 60.65 57.27 2yru s ILE 9 Cb -0.15 -1.88 0.00 0.00 -1.58 0.00 0.00 42.46 38.86 2yru s ILE 9 CO -0.19 0.40 0.00 -0.62 -1.23 0.00 0.00 174.94 173.30 2yru n GLU 10 N 1.86 0.00 -2.78 2.79 1.02 -1.26 -5.12 120.64 117.15 2yru n GLU 10 Ca -0.17 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 56.96 2yru n GLU 10 Cb 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.93 2yru n GLU 10 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2yru n SER 11 N -1.33 -5.83 -1.83 1.62 3.41 -1.26 -5.00 113.62 103.40 2yru n SER 11 Ca 0.00 1.24 -0.01 0.00 -0.26 0.00 0.00 58.87 59.85 2yru n SER 11 Cb 0.00 -4.56 0.04 0.00 -0.26 0.00 0.00 64.21 59.43 2yru n SER 11 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2yru n GLU 12 N 1.17 0.40 -5.18 4.33 2.13 -1.26 -5.14 120.64 117.09 2yru n GLU 12 Ca -0.11 -0.36 -0.29 0.00 0.66 0.00 0.00 57.16 57.06 2yru n GLU 12 Cb 0.24 0.13 -0.16 0.00 0.27 0.00 0.00 31.44 31.93 2yru n GLU 12 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2yru s THR 13 N 0.04 1.89 0.11 6.31 2.01 -1.26 -5.14 115.64 119.61 2yru s THR 13 Ca 0.03 -1.04 0.08 0.00 0.31 0.00 0.00 61.69 61.07 2yru s THR 13 Cb 0.13 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.03 2yru s THR 13 CO -0.04 0.52 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.53 2yru s LEU 14 N -0.59 2.92 0.22 4.42 1.43 -1.26 -5.01 118.68 120.81 2yru s LEU 14 Ca 0.09 -0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 52.65 2yru s LEU 14 Cb -0.09 -1.73 0.22 0.00 0.03 0.00 0.00 46.19 44.62 2yru s LEU 14 CO -0.01 0.17 1.88 -0.29 0.23 0.00 0.00 176.35 178.33 2yru h ILE 15 N 3.32 1.15 0.00 -0.59 2.10 -1.99 0.27 117.51 121.78 2yru h ILE 15 Ca -0.49 -0.36 0.00 0.00 1.08 0.00 0.00 64.86 65.09 2yru h ILE 15 Cb 1.17 0.02 0.00 0.00 -1.09 0.00 0.00 36.82 36.92 2yru h ILE 15 CO 0.50 0.19 0.00 -0.62 -1.08 0.00 0.00 178.15 177.14 2yru n GLU 16 N -4.56 0.20 -0.04 2.19 -0.58 -1.26 -0.27 120.64 116.32 2yru n GLU 16 Ca 0.09 0.12 -0.07 0.00 -0.42 0.00 0.00 57.16 56.88 2yru n GLU 16 Cb 0.07 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.30 2yru n GLU 16 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2yru n ASP 17 N -1.34 0.57 0.06 1.62 9.92 0.83 -1.87 116.55 126.33 2yru n ASP 17 Ca 0.08 0.27 0.10 0.00 -0.53 0.00 0.00 54.79 54.71 2yru n ASP 17 Cb 0.17 0.36 -0.07 0.00 -0.64 0.00 0.00 41.12 40.95 2yru n ASP 17 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2yru n VAL 18 N -2.91 0.45 -0.03 2.53 0.31 -0.38 -4.13 118.33 114.17 2yru n VAL 18 Ca -0.21 -0.55 -0.14 0.00 -0.01 0.00 0.00 64.34 63.43 2yru n VAL 18 Cb 1.05 -0.25 -0.14 0.00 -0.91 0.00 0.00 33.84 33.59 2yru n VAL 18 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2yru n LEU 19 N -2.55 1.61 -0.26 7.52 7.99 0.63 -3.30 117.00 128.64 2yru n LEU 19 Ca -0.03 0.23 0.00 0.00 -0.01 0.00 0.00 56.01 56.21 2yru n LEU 19 Cb 0.58 -0.36 0.07 0.00 -0.11 0.00 0.00 43.42 43.61 2yru n LEU 19 CO 0.42 0.63 0.69 0.03 -1.51 0.00 0.00 177.39 177.65 2yru h ARG 20 N 0.03 -0.03 0.06 3.23 2.47 -1.53 0.85 114.38 119.45 2yru h ARG 20 Ca -0.40 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.32 2yru h ARG 20 Cb 2.04 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 30.37 2yru h ARG 20 CO 0.06 -0.02 -0.03 -1.00 0.56 0.00 0.00 179.97 179.54 2yru h PRO 21 N -0.03 -0.08 -1.07 0.04 0.13 -1.74 -2.29 132.00 126.96 2yru h PRO 21 Ca 0.34 0.01 0.32 0.00 -0.87 0.00 0.00 66.00 65.79 2yru h PRO 21 Cb 0.56 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 31.58 2yru h PRO 21 CO -0.77 0.52 0.65 -0.07 -0.23 0.00 0.00 178.00 178.10 2yru h LEU 22 N -0.83 0.47 -0.01 1.56 3.38 -1.39 0.35 115.31 118.84 2yru h LEU 22 Ca -0.01 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2yru h LEU 22 Cb 0.64 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 2yru h LEU 22 CO 0.01 -0.05 -0.02 -0.33 0.09 0.00 0.00 178.44 178.14 2yru h GLU 23 N 0.34 0.03 -0.87 1.13 5.08 0.68 -2.54 114.58 118.42 2yru h GLU 23 Ca 0.70 -0.02 0.23 0.00 -1.00 0.00 0.00 59.36 59.27 2yru h GLU 23 Cb 1.74 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.85 2yru h GLU 23 CO -0.47 0.58 0.27 1.96 -1.00 0.00 0.00 179.01 180.35 2yru h GLN 24 N -0.51 0.25 -0.19 2.33 4.20 0.23 0.37 115.11 121.80 2yru h GLN 24 Ca 0.00 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 2yru h GLN 24 Cb 0.58 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 2yru h GLN 24 CO 0.00 0.17 0.05 0.00 -0.67 0.00 0.00 178.83 178.38 2yru h ALA 25 N 1.75 0.24 0.00 3.87 0.00 -1.13 -0.02 119.26 123.96 2yru h ALA 25 Ca 0.54 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2yru h ALA 25 Cb 1.07 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2yru h ALA 25 CO -0.61 -0.12 -0.05 1.25 0.00 0.00 0.00 179.25 179.71 2yru h LEU 26 N 0.12 -0.16 -0.66 0.00 5.85 0.09 1.34 115.31 121.88 2yru h LEU 26 Ca 0.06 0.02 0.14 0.00 0.84 0.00 0.00 57.88 58.94 2yru h LEU 26 Cb 0.25 0.06 -0.12 0.00 0.37 0.00 0.00 40.66 41.22 2yru h LEU 26 CO -0.00 -0.05 -0.08 1.05 -0.34 0.00 0.00 178.44 179.02 2yru h GLU 27 N -0.07 0.05 -0.01 1.25 4.11 -1.07 1.62 114.58 120.46 2yru h GLU 27 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2yru h GLU 27 Cb 0.07 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2yru h GLU 27 CO -0.03 0.03 0.01 -0.44 0.07 0.00 0.00 179.01 178.65 2yru h ASP 28 N 0.05 0.00 0.18 3.06 3.32 -0.36 -0.96 116.42 121.71 2yru h ASP 28 Ca 0.34 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.13 2yru h ASP 28 Cb 0.55 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.12 2yru h ASP 28 CO -0.63 0.00 -1.17 0.00 -1.72 0.00 0.00 179.24 175.72 2yru h HIS 30 N -0.18 0.58 -0.17 0.00 3.86 0.27 1.28 115.15 120.79 2yru h HIS 30 Ca -0.22 0.05 -0.09 0.00 -1.16 0.00 0.00 60.37 58.95 2yru h HIS 30 Cb 1.85 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 30.21 2yru h HIS 30 CO 0.16 -0.20 -0.25 0.78 0.86 0.00 0.00 177.93 179.28 2yru h GLY 31 N 0.26 0.52 0.00 2.45 0.00 -1.53 -3.42 103.07 101.35 2yru h GLY 31 Ca 0.63 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2yru h GLY 31 CO -0.64 0.52 0.00 1.42 0.00 0.00 0.00 176.54 177.84 2yru n HIS 32 N -4.41 0.00 -1.38 5.60 8.25 0.12 -4.93 115.22 118.46 2yru n HIS 32 Ca -0.06 0.00 -0.47 0.00 -0.26 0.00 0.00 57.72 56.93 2yru n HIS 32 Cb 0.44 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.52 2yru n HIS 32 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2yru n THR 33 N -0.33 1.81 -0.72 1.59 -1.04 0.40 -4.85 114.28 111.14 2yru n THR 33 Ca 0.00 -0.50 -0.28 0.00 -2.04 0.00 0.00 64.05 61.23 2yru n THR 33 Cb 0.00 0.00 0.12 0.00 -1.82 0.00 0.00 70.33 68.63 2yru n THR 33 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2yru n LYS 34 N 1.04 -1.31 -0.06 -2.82 4.76 -1.26 -4.33 118.16 114.18 2yru n LYS 34 Ca 0.17 -0.38 -0.09 0.00 -2.87 0.00 0.00 58.31 55.15 2yru n LYS 34 Cb 0.27 -1.42 -0.07 0.00 -1.84 0.00 0.00 35.03 31.96 2yru n LYS 34 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2yru h LYS 35 N -1.97 0.00 -0.92 1.97 1.63 -1.88 -2.43 116.57 112.97 2yru h LYS 35 Ca -0.39 0.00 0.22 0.00 -0.85 0.00 0.00 60.65 59.63 2yru h LYS 35 Cb 1.13 0.00 -0.12 0.00 -0.60 0.00 0.00 32.23 32.64 2yru h LYS 35 CO 0.26 0.57 0.45 -0.56 -3.45 0.00 0.00 179.45 176.73 2yru h GLN 36 N -1.00 0.46 0.47 1.90 3.07 -1.98 1.37 115.11 119.41 2yru h GLN 36 Ca -0.02 -0.03 -0.02 0.00 0.09 0.00 0.00 58.65 58.67 2yru h GLN 36 Cb 0.61 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 28.07 2yru h GLN 36 CO -0.01 0.31 -0.23 0.28 0.09 0.00 0.00 178.83 179.27 2yru h VAL 37 N 0.48 0.37 -0.27 1.86 2.07 -1.93 -1.71 116.25 117.11 2yru h VAL 37 Ca 0.57 -0.49 0.07 0.00 0.82 0.00 0.00 66.70 67.66 2yru h VAL 37 Cb 1.06 0.53 -0.07 0.00 -1.52 0.00 0.00 31.29 31.29 2yru h VAL 37 CO -0.49 0.06 -0.22 0.00 0.02 0.00 0.00 177.57 176.94 2yru h ASP 39 N -0.21 0.66 0.15 0.00 1.82 0.18 1.04 116.42 120.06 2yru h ASP 39 Ca 0.15 0.14 -0.01 0.00 -0.39 0.00 0.00 57.03 56.92 2yru h ASP 39 Cb 0.43 0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.49 2yru h ASP 39 CO -0.40 0.08 -0.07 -0.78 -1.61 0.00 0.00 179.24 176.47 2yru h ASP 40 N 0.56 -0.17 0.46 2.28 3.58 0.54 -0.81 116.42 122.86 2yru h ASP 40 Ca 0.65 -0.29 -0.01 0.00 0.42 0.00 0.00 57.03 57.80 2yru h ASP 40 Cb 1.26 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 42.34 2yru h ASP 40 CO -0.49 0.22 -0.47 0.40 -2.88 0.00 0.00 179.24 176.03 2yru h ILE 41 N -0.59 0.08 -0.97 2.25 2.04 0.23 -1.46 117.51 119.08 2yru h ILE 41 Ca -0.02 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.07 2yru h ILE 41 Cb 0.45 0.08 -0.12 0.00 -0.74 0.00 0.00 36.82 36.49 2yru h ILE 41 CO 0.03 0.00 0.54 0.77 0.00 0.00 0.00 178.15 179.49 2yru h SER 42 N -0.94 0.58 -0.74 1.72 4.64 0.91 0.79 113.55 120.52 2yru h SER 42 Ca -0.05 0.14 0.11 0.00 -0.47 0.00 0.00 61.79 61.51 2yru h SER 42 Cb 0.82 0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.92 2yru h SER 42 CO -0.07 0.09 0.49 0.03 -0.87 0.00 0.00 176.83 176.50 2yru h ARG 43 N 0.55 0.57 -0.04 4.77 3.08 -0.11 -1.58 114.38 121.61 2yru h ARG 43 Ca 0.61 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.57 2yru h ARG 43 Cb 1.13 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.06 2yru h ARG 43 CO -0.48 0.38 -0.19 0.00 -1.07 0.00 0.00 179.97 178.61 2yru h ARG 44 N 0.59 0.20 -0.60 0.04 2.47 0.12 -3.27 114.38 113.93 2yru h ARG 44 Ca 0.35 -0.16 0.12 0.00 -1.26 0.00 0.00 59.98 59.02 2yru h ARG 44 Cb 0.56 0.03 -0.12 0.00 -1.65 0.00 0.00 29.97 28.79 2yru h ARG 44 CO -0.12 0.81 -0.25 -0.07 0.56 0.00 0.00 179.97 180.90 2yru h LEU 45 N -0.37 -0.89 -0.91 3.04 3.38 -0.34 0.58 115.31 119.81 2yru h LEU 45 Ca -0.01 0.21 0.25 0.00 0.09 0.00 0.00 57.88 58.42 2yru h LEU 45 Cb 0.84 0.49 -0.16 0.00 0.09 0.00 0.00 40.66 41.93 2yru h LEU 45 CO 0.04 -0.27 0.16 0.00 0.09 0.00 0.00 178.44 178.46 2yru h ALA 46 N 1.29 1.23 0.01 1.53 0.00 -1.39 0.74 119.26 122.68 2yru h ALA 46 Ca 0.27 0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.44 2yru h ALA 46 Cb 0.52 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2yru h ALA 46 CO -0.66 -0.53 -0.01 1.25 0.00 0.00 0.00 179.25 179.30 2yru h LEU 47 N 0.11 -0.01 -0.61 0.00 6.46 -0.09 -0.35 115.31 120.83 2yru h LEU 47 Ca 0.57 -0.45 0.12 0.00 -0.12 0.00 0.00 57.88 58.00 2yru h LEU 47 Cb 1.17 0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 40.99 2yru h LEU 47 CO -0.75 0.45 -0.14 0.25 -0.62 0.00 0.00 178.44 177.62 2yru h LEU 48 N -0.48 -0.54 0.60 2.25 5.85 0.31 0.35 115.31 123.66 2yru h LEU 48 Ca -0.00 0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 2yru h LEU 48 Cb 0.46 0.37 0.01 0.00 0.37 0.00 0.00 40.66 41.87 2yru h LEU 48 CO 0.00 -0.19 -0.29 -0.09 -0.34 0.00 0.00 178.44 177.53 2yru h ARG 49 N 0.01 -0.78 -0.98 1.25 2.43 0.30 0.07 114.38 116.67 2yru h ARG 49 Ca 0.29 0.05 0.14 0.00 -0.81 0.00 0.00 59.98 59.65 2yru h ARG 49 Cb 0.45 0.18 -0.15 0.00 -0.42 0.00 0.00 29.97 30.03 2yru h ARG 49 CO -0.62 -0.52 -0.44 0.93 -1.51 0.00 0.00 179.97 177.82 2yru h GLU 50 N -0.90 -0.01 -0.77 0.20 5.08 -0.52 1.61 114.58 119.27 2yru h GLU 50 Ca -0.08 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.33 2yru h GLU 50 Cb 0.62 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.83 2yru h GLU 50 CO 0.14 -0.01 0.51 1.96 -1.00 0.00 0.00 179.01 180.61 2yru h GLN 51 N -0.01 0.87 0.41 2.33 4.20 -0.30 1.40 115.11 124.01 2yru h GLN 51 Ca 0.30 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.94 2yru h GLN 51 Cb 0.55 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.14 2yru h GLN 51 CO -0.96 0.57 -0.20 2.35 -0.67 0.00 0.00 178.83 179.92 2yru h TRP 52 N 0.89 -0.51 0.42 2.96 2.91 0.40 0.23 115.95 123.25 2yru h TRP 52 Ca 0.32 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.32 2yru h TRP 52 Cb 0.13 0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 28.92 2yru h TRP 52 CO -0.00 -0.32 -0.51 0.00 -1.03 0.00 0.00 178.44 176.58 2yru h ALA 53 N -1.61 -1.11 -1.64 2.65 0.00 0.71 -0.42 119.26 117.84 2yru h ALA 53 Ca -0.06 -0.17 0.50 0.00 0.00 0.00 0.00 54.91 55.18 2yru h ALA 53 Cb 0.42 0.77 -0.09 0.00 0.00 0.00 0.00 17.79 18.90 2yru h ALA 53 CO 0.09 -1.17 1.15 0.41 0.00 0.00 0.00 179.25 179.73 2yru n GLY 54 N -1.55 -0.86 1.05 0.00 0.00 0.48 -4.70 105.19 99.61 2yru n GLY 54 Ca -0.11 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.55 2yru n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yru n GLY 55 N -1.73 1.14 0.11 -0.02 0.00 -0.17 -4.97 105.19 99.55 2yru n GLY 55 Ca 0.39 -0.47 0.09 0.00 0.00 0.00 0.00 46.02 46.03 2yru n GLY 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yru n LYS 56 N -1.01 0.61 -2.68 1.61 4.76 0.77 -4.89 118.16 117.33 2yru n LYS 56 Ca 0.00 0.13 -0.36 0.00 -2.87 0.00 0.00 58.31 55.22 2yru n LYS 56 Cb 0.26 -1.81 -0.05 0.00 -1.84 0.00 0.00 35.03 31.58 2yru n LYS 56 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2yru s LEU 57 N -5.42 4.16 0.52 -0.35 1.43 -1.04 -5.02 118.68 112.96 2yru s LEU 57 Ca -0.01 1.89 -0.16 0.00 -1.03 0.00 0.00 54.13 54.81 2yru s LEU 57 Cb 0.09 -4.21 -0.08 0.00 0.03 0.00 0.00 46.19 42.03 2yru s LEU 57 CO 0.80 -0.33 0.99 -0.44 0.23 0.00 0.00 176.35 177.60 2yru s SER 58 N -1.72 6.56 0.18 2.29 0.01 -1.26 -4.94 113.70 114.81 2yru s SER 58 Ca 0.56 1.59 -0.14 0.00 1.31 0.00 0.00 55.95 59.28 2yru s SER 58 Cb -0.18 -2.51 0.09 0.00 0.21 0.00 0.00 66.02 63.63 2yru s SER 58 CO 0.23 -0.63 1.82 0.40 0.41 0.00 0.00 173.24 175.47 2yru h ILE 59 N 0.88 1.08 0.00 1.44 2.04 -1.98 0.75 117.51 121.71 2yru h ILE 59 Ca -0.47 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.17 2yru h ILE 59 Cb 1.19 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 2yru h ILE 59 CO 0.61 0.12 0.00 -0.81 0.00 0.00 0.00 178.15 178.07 2yru n PRO 60 N -4.77 0.43 -0.00 2.37 -0.04 -1.26 -2.09 135.00 129.64 2yru n PRO 60 Ca 0.04 0.05 -0.05 0.00 -0.04 0.00 0.00 63.50 63.50 2yru n PRO 60 Cb 0.06 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.90 2yru n PRO 60 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2yru n VAL 61 N -1.21 1.39 0.08 0.52 0.31 0.17 -2.84 118.33 116.76 2yru n VAL 61 Ca 0.13 -0.75 -0.23 0.00 -0.01 0.00 0.00 64.34 63.47 2yru n VAL 61 Cb 0.16 -0.86 -0.15 0.00 -0.91 0.00 0.00 33.84 32.08 2yru n VAL 61 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2yru h LYS 62 N 0.00 0.42 -0.52 5.55 1.57 -0.92 -2.60 116.57 120.08 2yru h LYS 62 Ca -0.25 -0.72 -0.09 0.00 -1.87 0.00 0.00 60.65 57.73 2yru h LYS 62 Cb 1.83 0.27 -0.02 0.00 0.08 0.00 0.00 32.23 34.39 2yru h LYS 62 CO 0.06 1.34 -0.03 0.87 -0.57 0.00 0.00 179.45 181.12 2yru h LYS 63 N 0.10 0.90 -0.24 3.15 6.56 -1.58 -1.17 116.57 124.28 2yru h LYS 63 Ca -0.33 -0.27 -0.15 0.00 -1.06 0.00 0.00 60.65 58.84 2yru h LYS 63 Cb 2.11 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 33.67 2yru h LYS 63 CO 0.19 0.91 -0.46 0.00 -2.06 0.00 0.00 179.45 178.04 2yru h ARG 64 N 0.82 0.63 0.64 3.15 3.08 -1.63 -3.19 114.38 117.88 2yru h ARG 64 Ca 0.15 -0.35 -0.03 0.00 0.07 0.00 0.00 59.98 59.81 2yru h ARG 64 Cb 0.54 0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.61 2yru h ARG 64 CO 0.03 0.96 -0.31 0.52 -1.07 0.00 0.00 179.97 180.10 2yru h MET 65 N 0.51 -0.83 -0.99 0.04 2.86 -1.09 -2.80 114.93 112.62 2yru h MET 65 Ca 0.03 0.06 0.41 0.00 -2.06 0.00 0.00 59.70 58.14 2yru h MET 65 Cb 0.99 0.19 -0.18 0.00 0.06 0.00 0.00 31.60 32.66 2yru h MET 65 CO 0.09 -0.51 0.51 0.00 1.06 0.00 0.00 176.91 178.06 2yru n ALA 66 N -2.58 0.99 0.12 6.32 0.00 -0.48 0.22 120.51 125.11 2yru n ALA 66 Ca -0.12 1.01 -0.10 0.00 0.00 0.00 0.00 53.44 54.23 2yru n ALA 66 Cb 0.37 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.77 2yru n ALA 66 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2yru h LEU 67 N 0.00 -0.81 -0.85 0.00 3.38 -1.48 1.06 115.31 116.60 2yru h LEU 67 Ca 0.83 0.07 0.20 0.00 0.09 0.00 0.00 57.88 59.07 2yru h LEU 67 Cb 2.18 0.28 -0.12 0.00 0.09 0.00 0.00 40.66 43.09 2yru h LEU 67 CO -0.77 -0.34 0.33 0.25 0.09 0.00 0.00 178.44 178.00 2yru h LEU 68 N -0.50 0.25 0.80 1.67 6.46 -0.18 -0.55 115.31 123.27 2yru h LEU 68 Ca -0.02 0.15 -0.04 0.00 -0.12 0.00 0.00 57.88 57.85 2yru h LEU 68 Cb 0.45 0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.53 2yru h LEU 68 CO -0.09 0.00 -0.43 0.58 -0.62 0.00 0.00 178.44 177.89 2yru h VAL 69 N 0.38 0.00 -1.00 1.05 2.07 -0.20 0.54 116.25 119.10 2yru h VAL 69 Ca 0.51 0.00 0.38 0.00 0.82 0.00 0.00 66.70 68.41 2yru h VAL 69 Cb 0.92 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.53 2yru h VAL 69 CO -0.51 0.00 0.52 1.56 0.02 0.00 0.00 177.57 179.16 2yru h GLN 70 N -1.14 0.12 0.20 1.57 1.08 0.24 0.53 115.11 117.72 2yru h GLN 70 Ca -0.11 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 2yru h GLN 70 Cb 0.89 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.30 2yru h GLN 70 CO 0.15 0.08 -0.10 0.93 -0.95 0.00 0.00 178.83 178.94 2yru h GLU 71 N 0.12 -0.26 -0.43 1.46 4.39 -0.60 -2.47 114.58 116.79 2yru h GLU 71 Ca 0.79 0.02 0.12 0.00 0.34 0.00 0.00 59.36 60.64 2yru h GLU 71 Cb 1.98 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 30.68 2yru h GLU 71 CO -0.72 0.08 0.45 1.25 -1.16 0.00 0.00 179.01 178.91 2yru h LEU 72 N -0.63 0.00 -0.22 1.33 6.46 0.22 0.70 115.31 123.17 2yru h LEU 72 Ca -0.03 0.00 -0.18 0.00 -0.12 0.00 0.00 57.88 57.55 2yru h LEU 72 Cb 0.46 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.39 2yru h LEU 72 CO 0.05 0.00 -0.57 -0.07 -0.62 0.00 0.00 178.44 177.23 2yru h LEU 73 N 0.00 0.88 -0.41 2.25 3.38 -0.37 -2.77 115.31 118.27 2yru h LEU 73 Ca 0.20 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2yru h LEU 73 Cb 1.10 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2yru h LEU 73 CO -0.00 1.29 -0.06 1.41 0.09 0.00 0.00 178.44 181.17 2yru n HIS 74 N -4.07 0.00 -0.57 1.13 8.25 0.20 -4.87 115.22 115.30 2yru n HIS 74 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 2yru n HIS 74 Cb 0.63 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.67 2yru n HIS 74 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2yru n HIS 75 N -0.60 0.00 -0.95 4.41 8.25 0.14 -4.93 115.22 121.54 2yru n HIS 75 Ca 0.18 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.20 2yru n HIS 75 Cb 0.26 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.30 2yru n HIS 75 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2yru n GLN 76 N -2.00 1.02 -0.17 -0.41 1.13 0.11 -4.57 117.38 112.49 2yru n GLN 76 Ca 0.00 -1.58 -0.09 0.00 -1.94 0.00 0.00 57.00 53.40 2yru n GLN 76 Cb 0.00 -2.79 0.01 0.00 0.11 0.00 0.00 30.24 27.56 2yru n GLN 76 CO 0.00 0.00 0.00 -1.49 -1.44 0.00 0.00 177.06 174.13 2yru h TRP 77 N 8.60 0.78 -1.01 1.08 4.06 -1.92 0.42 115.95 127.96 2yru h TRP 77 Ca 0.37 -0.08 0.24 0.00 2.06 0.00 0.00 58.89 61.48 2yru h TRP 77 Cb 0.68 -0.23 -0.10 0.00 -1.00 0.00 0.00 29.16 28.52 2yru h TRP 77 CO 1.16 0.68 0.63 -0.44 -3.56 0.00 0.00 178.44 176.92 2yru h ASP 78 N 0.65 0.58 0.00 -3.49 5.19 -1.97 0.64 116.42 118.02 2yru h ASP 78 Ca 0.16 0.09 -0.00 0.00 -0.62 0.00 0.00 57.03 56.66 2yru h ASP 78 Cb 0.27 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.77 2yru h ASP 78 CO -0.01 0.14 -0.00 0.00 -3.12 0.00 0.00 179.24 176.26 2yru h ALA 79 N 1.65 -0.01 -0.82 3.45 0.00 -1.72 -2.63 119.26 119.18 2yru h ALA 79 Ca 0.59 -0.39 0.13 0.00 0.00 0.00 0.00 54.91 55.24 2yru h ALA 79 Cb 1.27 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.92 2yru h ALA 79 CO -0.35 -0.11 -0.37 0.00 0.00 0.00 0.00 179.25 178.43 2yru h ALA 80 N 0.19 0.06 0.23 0.00 0.00 0.10 0.27 119.26 120.11 2yru h ALA 80 Ca -0.00 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2yru h ALA 80 Cb 0.78 0.92 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 2yru h ALA 80 CO 0.00 -0.65 -0.21 0.22 0.00 0.00 0.00 179.25 178.61 2yru h ASP 81 N -0.07 -0.55 -0.97 0.00 3.58 -1.05 0.76 116.42 118.12 2yru h ASP 81 Ca 0.30 0.05 0.10 0.00 0.42 0.00 0.00 57.03 57.89 2yru h ASP 81 Cb 0.58 0.18 -0.12 0.00 1.72 0.00 0.00 39.33 41.69 2yru h ASP 81 CO -0.86 -0.31 -0.55 -0.78 -2.88 0.00 0.00 179.24 173.86 2yru h ASP 82 N -0.46 -2.03 0.20 2.28 1.82 -0.19 1.22 116.42 119.26 2yru h ASP 82 Ca -0.01 0.32 -0.01 0.00 -0.39 0.00 0.00 57.03 56.95 2yru h ASP 82 Cb 0.42 0.91 0.00 0.00 0.68 0.00 0.00 39.33 41.35 2yru h ASP 82 CO -0.04 -0.25 -0.09 0.40 -1.61 0.00 0.00 179.24 177.65 2yru h ILE 83 N -0.02 0.87 -0.84 2.25 2.04 -0.59 -1.96 117.51 119.26 2yru h ILE 83 Ca 0.19 -0.32 0.17 0.00 1.00 0.00 0.00 64.86 65.90 2yru h ILE 83 Cb 0.45 1.06 -0.16 0.00 -0.74 0.00 0.00 36.82 37.43 2yru h ILE 83 CO -0.93 0.07 -0.21 -0.74 0.00 0.00 0.00 178.15 176.34 2yru h HIS 84 N -0.42 -0.46 0.28 1.37 -0.00 0.31 0.35 115.15 116.59 2yru h HIS 84 Ca -0.03 0.08 -0.00 0.00 -0.00 0.00 0.00 60.37 60.42 2yru h HIS 84 Cb 0.32 0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 28.05 2yru h HIS 84 CO -0.02 -0.36 -0.24 0.00 -0.00 0.00 0.00 177.93 177.31 2yru h ARG 85 N -0.00 -0.51 -0.42 5.26 2.47 0.16 0.36 114.38 121.70 2yru h ARG 85 Ca 0.40 0.03 0.12 0.00 -1.26 0.00 0.00 59.98 59.28 2yru h ARG 85 Cb 0.61 0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 29.03 2yru h ARG 85 CO -0.86 -0.34 0.42 0.77 0.56 0.00 0.00 179.97 180.52 2yru h SER 86 N -0.53 0.00 0.47 7.04 0.02 0.13 0.95 113.55 121.62 2yru h SER 86 Ca -0.02 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.63 2yru h SER 86 Cb 0.47 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.02 2yru h SER 86 CO -0.02 0.00 -1.44 -0.07 -1.14 0.00 0.00 176.83 174.15 2yru h LEU 87 N 0.00 0.49 -0.00 5.07 3.38 0.11 -3.23 115.31 121.13 2yru h LEU 87 Ca 0.20 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2yru h LEU 87 Cb 1.04 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2yru h LEU 87 CO -0.00 1.48 -0.07 0.80 0.09 0.00 0.00 178.44 180.74 2yru n MET 88 N -3.53 0.01 -0.03 1.13 1.56 0.16 -1.18 117.12 115.25 2yru n MET 88 Ca -0.14 -0.00 -0.10 0.00 -0.27 0.00 0.00 57.70 57.18 2yru n MET 88 Cb 1.05 -1.50 -0.09 0.00 2.15 0.00 0.00 33.22 34.83 2yru n MET 88 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 2yru h VAL 89 N 0.00 1.16 0.00 1.12 2.07 0.61 -3.34 116.25 117.87 2yru h VAL 89 Ca 0.00 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 65.85 2yru h VAL 89 Cb 0.50 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 2yru h VAL 89 CO 0.00 0.36 -0.12 0.47 0.02 0.00 0.00 177.57 178.30 2yru n ASP 90 N -4.75 0.30 -3.26 0.57 9.92 -1.22 -4.54 116.55 113.57 2yru n ASP 90 Ca -0.07 0.17 -0.33 0.00 -0.53 0.00 0.00 54.79 54.03 2yru n ASP 90 Cb 0.31 -0.55 -0.03 0.00 -0.64 0.00 0.00 41.12 40.22 2yru n ASP 90 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 2yru n HIS 91 N -2.73 2.03 -0.03 1.24 8.25 -0.32 -4.36 115.22 119.30 2yru n HIS 91 Ca -0.02 -2.68 -0.18 0.00 -0.26 0.00 0.00 57.72 54.58 2yru n HIS 91 Cb 0.06 -2.19 -0.13 0.00 1.12 0.00 0.00 29.99 28.85 2yru n HIS 91 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 2yru h VAL 92 N 3.16 1.46 0.00 1.59 3.04 -1.67 -1.60 116.25 122.24 2yru h VAL 92 Ca 0.74 -2.39 0.00 0.00 -1.01 0.00 0.00 66.70 64.04 2yru h VAL 92 Cb 0.23 3.06 0.00 0.00 -2.01 0.00 0.00 31.29 32.58 2yru h VAL 92 CO 1.66 0.61 0.00 0.74 -1.01 0.00 0.00 177.57 179.58 2yru h THR 93 N -0.70 0.00 0.00 3.17 2.02 -1.90 0.35 112.91 115.85 2yru h THR 93 Ca -0.14 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.84 2yru h THR 93 Cb 1.36 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.70 2yru h THR 93 CO 0.02 0.00 -0.43 -0.62 0.37 0.00 0.00 175.52 174.86 2yru n GLU 94 N -2.46 0.38 -0.28 6.66 -0.58 -1.23 -4.36 120.64 118.77 2yru n GLU 94 Ca 0.00 0.48 0.02 0.00 -0.42 0.00 0.00 57.16 57.24 2yru n GLU 94 Cb 0.18 -1.54 0.23 0.00 -0.57 0.00 0.00 31.44 29.73 2yru n GLU 94 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 2yru h VAL 95 N -0.84 1.14 -3.17 2.62 -1.51 -1.27 -3.43 116.25 109.79 2yru h VAL 95 Ca 0.00 -0.37 -0.52 0.00 -1.23 0.00 0.00 66.70 64.58 2yru h VAL 95 Cb 0.43 -0.02 0.22 0.00 -2.13 0.00 0.00 31.29 29.79 2yru h VAL 95 CO 0.00 0.20 -0.72 -1.54 -1.23 0.00 0.00 177.57 174.27 2yru n SER 96 N -4.45 -2.34 0.00 4.19 3.41 0.12 -0.12 113.62 114.44 2yru n SER 96 Ca 0.11 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 2yru n SER 96 Cb 0.11 -1.15 0.00 0.00 -0.26 0.00 0.00 64.21 62.92 2yru n SER 96 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2yru n GLN 97 N -1.51 0.00 0.00 4.33 7.27 -1.26 -4.45 117.38 121.76 2yru n GLN 97 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.12 2yru n GLN 97 Cb 0.55 -1.82 0.00 0.00 2.41 0.00 0.00 30.24 31.38 2yru n GLN 97 CO 0.00 0.00 0.00 -2.67 0.07 0.00 0.00 177.06 174.46 2yru n TRP 98 N -2.12 -0.63 -0.25 3.69 4.27 -1.17 -4.89 117.44 116.33 2yru n TRP 98 Ca 0.00 0.00 0.18 0.00 -3.89 0.00 0.00 57.50 53.79 2yru n TRP 98 Cb 0.00 0.13 0.35 0.00 -1.36 0.00 0.00 31.31 30.42 2yru n TRP 98 CO 0.00 0.00 0.00 -0.12 -2.29 0.00 0.00 177.69 175.28 2yru n MET 99 N -1.61 -0.05 -0.30 -2.67 1.56 0.83 0.20 117.12 115.08 2yru n MET 99 Ca 0.00 1.10 0.06 0.00 -0.27 0.00 0.00 57.70 58.59 2yru n MET 99 Cb 0.00 -1.87 0.16 0.00 2.15 0.00 0.00 33.22 33.66 2yru n MET 99 CO 0.00 0.00 0.00 -0.39 -0.73 0.00 0.00 175.97 174.85 2yru h VAL 100 N 0.00 0.18 0.73 1.12 -1.51 -1.92 0.66 116.25 115.50 2yru h VAL 100 Ca 0.56 -0.01 -0.03 0.00 -1.23 0.00 0.00 66.70 65.99 2yru h VAL 100 Cb 1.37 0.14 -0.01 0.00 -2.13 0.00 0.00 31.29 30.66 2yru h VAL 100 CO -0.65 0.01 -0.48 1.23 -1.23 0.00 0.00 177.57 176.45 2yru h GLY 101 N 0.03 -1.28 -0.68 5.19 0.00 0.20 -2.40 103.07 104.12 2yru h GLY 101 Ca 0.45 0.54 0.17 0.00 0.00 0.00 0.00 47.33 48.48 2yru h GLY 101 CO -0.82 -0.43 -0.21 -2.08 0.00 0.00 0.00 176.54 172.99 2yru h VAL 102 N -1.14 0.16 -0.46 4.60 2.07 -0.98 0.52 116.25 121.02 2yru h VAL 102 Ca -0.10 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.51 2yru h VAL 102 Cb 0.93 0.16 -0.10 0.00 -1.52 0.00 0.00 31.29 30.76 2yru h VAL 102 CO 0.08 0.00 -0.35 0.50 0.02 0.00 0.00 177.57 177.82 2yru h LYS 103 N -0.00 -0.23 0.21 1.57 3.64 -0.61 0.97 116.57 122.12 2yru h LYS 103 Ca 0.40 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.79 2yru h LYS 103 Cb 0.61 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 2yru h LYS 103 CO -0.87 -0.15 -0.14 -0.09 -2.27 0.00 0.00 179.45 175.93 2yru h ARG 104 N -0.23 -0.33 -0.86 1.90 9.65 0.33 -2.56 114.38 122.28 2yru h ARG 104 Ca 0.19 0.02 0.16 0.00 -1.10 0.00 0.00 59.98 59.25 2yru h ARG 104 Cb 0.55 0.08 -0.16 0.00 -1.39 0.00 0.00 29.97 29.05 2yru h ARG 104 CO -0.59 -0.22 -0.27 1.25 2.80 0.00 0.00 179.97 182.94 2yru h LEU 105 N -0.34 -0.99 -0.00 3.80 5.85 0.82 0.20 115.31 124.64 2yru h LEU 105 Ca -0.02 0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.98 2yru h LEU 105 Cb 0.30 0.59 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 2yru h LEU 105 CO 0.01 -0.29 -0.19 0.40 -0.34 0.00 0.00 178.44 178.03 2yru h ILE 106 N -0.02 0.00 -0.56 4.05 2.04 -0.47 1.42 117.51 123.97 2yru h ILE 106 Ca 0.38 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.30 2yru h ILE 106 Cb 0.62 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.62 2yru h ILE 106 CO -0.89 0.00 -0.45 0.00 0.00 0.00 0.00 178.15 176.81 2yru h ALA 107 N -1.12 -0.55 -0.06 1.87 0.00 -0.76 0.54 119.26 119.17 2yru h ALA 107 Ca 0.00 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2yru h ALA 107 Cb 0.25 1.17 -0.05 0.00 0.00 0.00 0.00 17.79 19.16 2yru h ALA 107 CO -0.13 -0.82 -0.48 0.93 0.00 0.00 0.00 179.25 178.75 2yru h GLU 108 N -0.15 -0.54 -0.89 0.00 4.39 -0.32 0.27 114.58 117.34 2yru h GLU 108 Ca 0.09 0.04 0.22 0.00 0.34 0.00 0.00 59.36 60.05 2yru h GLU 108 Cb 0.39 0.12 -0.16 0.00 -0.10 0.00 0.00 28.75 29.00 2yru h GLU 108 CO -0.61 -0.36 0.00 0.87 -1.16 0.00 0.00 179.01 177.76 2yru h LYS 109 N -0.56 0.05 -0.31 2.33 1.79 0.31 0.94 116.57 121.13 2yru h LYS 109 Ca 0.02 -0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.50 2yru h LYS 109 Cb 0.62 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.24 2yru h LYS 109 CO -0.36 0.04 0.19 -0.22 -1.08 0.00 0.00 179.45 178.02 2yru h LYS 110 N 0.06 0.38 -0.63 3.15 3.64 0.18 -2.67 116.57 120.66 2yru h LYS 110 Ca 0.51 -0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.97 2yru h LYS 110 Cb 0.97 -0.08 -0.12 0.00 -0.41 0.00 0.00 32.23 32.59 2yru h LYS 110 CO -0.82 0.25 -0.38 1.03 -2.27 0.00 0.00 179.45 177.26 2yru h SER 111 N 0.39 -1.31 -0.44 4.20 0.87 0.43 -1.18 113.55 116.51 2yru h SER 111 Ca 0.12 0.24 0.04 0.00 -1.23 0.00 0.00 61.79 60.96 2yru h SER 111 Cb -0.01 0.63 -0.05 0.00 -0.44 0.00 0.00 62.40 62.53 2yru h SER 111 CO -0.05 -0.31 -0.27 -0.07 -0.53 0.00 0.00 176.83 175.60 2yru h LEU 112 N -0.17 -0.99 -0.41 2.23 4.07 -0.97 -1.11 115.31 117.97 2yru h LEU 112 Ca 0.23 0.15 0.04 0.00 0.08 0.00 0.00 57.88 58.37 2yru h LEU 112 Cb 0.56 0.44 -0.05 0.00 1.08 0.00 0.00 40.66 42.69 2yru h LEU 112 CO -0.72 -0.11 -0.24 -0.24 -1.08 0.00 0.00 178.44 176.05 2yru n SER 113 N -4.03 -0.43 0.00 -0.43 2.88 -0.50 -4.88 113.62 106.23 2yru n SER 113 Ca 0.01 1.32 0.00 0.00 -1.33 0.00 0.00 58.87 58.86 2yru n SER 113 Cb 0.12 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 2yru n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yru n GLY 114 N -1.10 1.01 3.70 0.46 0.00 -0.42 -4.98 105.19 103.85 2yru n GLY 114 Ca 0.01 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 2yru n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yru s PRO 115 N 0.00 4.39 0.14 1.61 0.04 -1.26 -4.87 135.00 135.05 2yru s PRO 115 Ca 0.00 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.75 2yru s PRO 115 Cb 0.00 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 31.07 2yru s PRO 115 CO 0.00 -0.36 0.00 0.45 0.04 0.00 0.00 177.00 177.13 2yru n SER 116 N 4.65 0.56 -2.76 6.66 2.88 -1.26 -5.11 113.62 119.24 2yru n SER 116 Ca 0.10 0.23 -0.01 0.00 -1.33 0.00 0.00 58.87 57.86 2yru n SER 116 Cb 0.46 -0.06 -0.01 0.00 -0.75 0.00 0.00 64.21 63.86 2yru n SER 116 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2yru n SER 117 N -3.39 -6.97 -0.85 -3.46 2.88 -1.26 -5.25 113.62 95.33 2yru n SER 117 Ca 0.00 1.33 0.12 0.00 -1.33 0.00 0.00 58.87 59.00 2yru n SER 117 Cb 0.05 -4.94 0.20 0.00 -0.75 0.00 0.00 64.21 58.77 2yru n SER 117 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42