#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yru s SER 2 N 0.00 -0.39 1.11 1.61 0.01 -1.26 -5.16 113.70 109.62 2yru s SER 2 Ca 0.00 0.18 -0.12 0.00 1.31 0.00 0.00 55.95 57.32 2yru s SER 2 Cb 0.00 0.46 0.25 0.00 0.21 0.00 0.00 66.02 66.94 2yru s SER 2 CO 0.00 -0.66 1.06 -0.44 0.41 0.00 0.00 173.24 173.61 2yru s SER 3 N -1.80 1.35 0.00 2.44 0.01 -1.26 -5.01 113.70 109.44 2yru s SER 3 Ca -0.07 1.74 0.00 0.00 1.31 0.00 0.00 55.95 58.93 2yru s SER 3 Cb -0.01 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.81 2yru s SER 3 CO 0.00 -4.01 0.00 0.61 0.41 0.00 0.00 173.24 170.26 2yru n GLY 4 N 0.78 -0.58 3.55 3.44 0.00 -1.26 -5.17 105.19 105.95 2yru n GLY 4 Ca 0.05 -0.60 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 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 -4.00 -0.68 -0.19 1.61 1.04 -1.26 -5.08 113.70 105.15 2yru s SER 5 Ca 0.00 1.00 -0.13 0.00 0.48 0.00 0.00 55.95 57.30 2yru s SER 5 Cb 0.00 0.92 -0.08 0.00 0.10 0.00 0.00 66.02 66.97 2yru s SER 5 CO 0.00 -0.44 -0.30 -0.24 0.98 0.00 0.00 173.24 173.24 2yru n SER 6 N 1.71 1.73 0.00 7.02 2.88 -1.26 -5.13 113.62 120.56 2yru n SER 6 Ca -0.17 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2yru n SER 6 Cb 0.56 -0.68 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 2yru n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yru n GLY 7 N 1.65 -0.63 3.64 0.46 0.00 -1.26 -5.06 105.19 103.99 2yru n GLY 7 Ca -0.29 -1.72 -0.10 0.00 0.00 0.00 0.00 46.02 43.91 2yru n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yru s VAL 8 N -1.78 0.00 -0.03 1.61 0.11 -1.26 -5.16 120.40 113.89 2yru s VAL 8 Ca 0.00 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 2yru s VAL 8 Cb 0.00 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.87 2yru s VAL 8 CO 0.00 0.00 -0.02 -0.63 -3.33 0.00 0.00 175.10 171.12 2yru s ILE 9 N 0.55 0.31 -0.11 7.04 1.01 -1.26 -5.13 121.20 123.60 2yru s ILE 9 Ca -0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 60.65 60.59 2yru s ILE 9 Cb -0.05 -0.36 0.06 0.00 0.01 0.00 0.00 42.46 42.12 2yru s ILE 9 CO -0.05 0.16 0.23 -1.83 0.00 0.00 0.00 174.94 173.45 2yru s GLU 10 N 0.85 0.11 0.00 2.79 -1.05 -1.26 -5.07 118.70 115.07 2yru s GLU 10 Ca -0.10 0.69 0.00 0.00 -0.15 0.00 0.00 54.97 55.41 2yru s GLU 10 Cb -0.13 -0.11 0.00 0.00 -0.44 0.00 0.00 34.13 33.45 2yru s GLU 10 CO -0.01 -0.29 0.00 0.45 0.95 0.00 0.00 175.26 176.36 2yru n SER 11 N 5.34 0.00 -4.16 0.83 2.88 -1.26 -5.07 113.62 112.17 2yru n SER 11 Ca -0.06 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.13 2yru n SER 11 Cb 0.50 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.83 2yru n SER 11 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2yru s GLU 12 N 0.16 2.32 -0.06 -1.46 2.02 -1.26 -5.06 118.70 115.35 2yru s GLU 12 Ca 0.00 -1.40 -0.13 0.00 0.02 0.00 0.00 54.97 53.45 2yru s GLU 12 Cb 0.00 -3.30 -0.05 0.00 0.10 0.00 0.00 34.13 30.88 2yru s GLU 12 CO 0.00 -0.74 0.34 0.99 0.02 0.00 0.00 175.26 175.87 2yru s THR 13 N 1.23 5.18 0.21 3.63 2.01 -1.26 -5.09 115.64 121.55 2yru s THR 13 Ca -0.01 0.66 0.06 0.00 0.31 0.00 0.00 61.69 62.71 2yru s THR 13 Cb -0.20 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 2yru s THR 13 CO -0.02 0.54 0.21 -0.76 -0.69 0.00 0.00 174.62 173.91 2yru s LEU 14 N -0.72 3.95 0.06 4.42 1.43 -1.26 -5.01 118.68 121.54 2yru s LEU 14 Ca 0.21 -0.11 -0.33 0.00 -1.03 0.00 0.00 54.13 52.86 2yru s LEU 14 Cb -0.15 -2.51 -0.19 0.00 0.03 0.00 0.00 46.19 43.37 2yru s LEU 14 CO 0.10 0.00 1.56 -0.29 0.23 0.00 0.00 176.35 177.95 2yru h ILE 15 N 1.64 0.26 0.00 -0.59 2.10 -1.98 -1.06 117.51 117.88 2yru h ILE 15 Ca -0.49 -0.05 0.00 0.00 1.08 0.00 0.00 64.86 65.40 2yru h ILE 15 Cb 1.22 0.27 0.00 0.00 -1.09 0.00 0.00 36.82 37.22 2yru h ILE 15 CO 0.62 0.01 0.00 -0.62 -1.08 0.00 0.00 178.15 177.08 2yru n GLU 16 N -5.50 0.14 0.11 2.19 1.02 -1.26 -0.04 120.64 117.30 2yru n GLU 16 Ca -0.14 0.63 -0.18 0.00 -0.02 0.00 0.00 57.16 57.45 2yru n GLU 16 Cb 0.40 -1.94 -0.15 0.00 -0.02 0.00 0.00 31.44 29.73 2yru n GLU 16 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2yru h ASP 17 N 0.00 0.54 0.81 1.62 5.19 -1.64 0.20 116.42 123.14 2yru h ASP 17 Ca 0.00 -0.59 0.00 0.00 -0.62 0.00 0.00 57.03 55.82 2yru h ASP 17 Cb 0.01 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.34 2yru h ASP 17 CO 0.00 1.46 -0.70 0.58 -3.12 0.00 0.00 179.24 177.46 2yru h VAL 18 N 0.09 0.00 0.08 -1.35 2.07 0.40 -3.35 116.25 114.19 2yru h VAL 18 Ca -0.17 -0.51 -0.33 0.00 0.82 0.00 0.00 66.70 66.50 2yru h VAL 18 Cb 2.03 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 32.82 2yru h VAL 18 CO 0.22 0.00 -1.84 0.18 0.02 0.00 0.00 177.57 176.15 2yru n LEU 19 N -2.12 2.41 -0.36 2.57 7.99 0.95 -3.04 117.00 125.41 2yru n LEU 19 Ca 0.03 0.26 0.02 0.00 -0.01 0.00 0.00 56.01 56.31 2yru n LEU 19 Cb 0.44 -1.06 0.08 0.00 -0.11 0.00 0.00 43.42 42.78 2yru n LEU 19 CO 0.37 0.69 0.60 0.54 -1.51 0.00 0.00 177.39 178.08 2yru n ARG 20 N -3.77 -0.16 0.06 3.23 3.00 0.70 0.19 116.66 119.91 2yru n ARG 20 Ca -0.34 1.50 -0.07 0.00 -0.01 0.00 0.00 57.85 58.93 2yru n ARG 20 Cb 0.93 -2.23 -0.05 0.00 0.00 0.00 0.00 32.46 31.12 2yru n ARG 20 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 2yru h PRO 21 N 0.00 -0.24 -1.35 5.56 0.13 -1.74 -1.44 132.00 132.91 2yru h PRO 21 Ca 0.40 0.02 0.41 0.00 -0.87 0.00 0.00 66.00 65.95 2yru h PRO 21 Cb 0.64 0.05 -0.10 0.00 0.13 0.00 0.00 31.00 31.72 2yru h PRO 21 CO -0.98 0.04 0.92 -0.07 -0.23 0.00 0.00 178.00 177.68 2yru h LEU 22 N -1.00 0.19 0.16 1.56 3.38 -1.25 1.25 115.31 119.60 2yru h LEU 22 Ca -0.03 0.08 -0.29 0.00 0.09 0.00 0.00 57.88 57.73 2yru h LEU 22 Cb 0.39 0.06 0.03 0.00 0.09 0.00 0.00 40.66 41.23 2yru h LEU 22 CO 0.04 -0.07 -1.24 -0.33 0.09 0.00 0.00 178.44 176.93 2yru h GLU 23 N 0.11 0.55 -0.38 1.13 5.08 0.20 -3.19 114.58 118.09 2yru h GLU 23 Ca 0.75 -0.82 0.11 0.00 -1.00 0.00 0.00 59.36 58.40 2yru h GLU 23 Cb 2.52 0.28 -0.02 0.00 0.50 0.00 0.00 28.75 32.04 2yru h GLU 23 CO -0.25 1.38 0.61 -0.56 -1.00 0.00 0.00 179.01 179.19 2yru h GLN 24 N 0.14 0.00 0.04 2.33 -0.00 0.27 0.16 115.11 118.06 2yru h GLN 24 Ca -0.20 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.45 2yru h GLN 24 Cb 1.94 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.42 2yru h GLN 24 CO 0.24 0.00 -0.02 0.00 -0.00 0.00 0.00 178.83 179.05 2yru h ALA 25 N 1.13 -0.06 -0.59 0.06 0.00 -1.41 -2.97 119.26 115.42 2yru h ALA 25 Ca 0.18 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.92 2yru h ALA 25 Cb 1.40 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 19.11 2yru h ALA 25 CO -0.00 -0.08 -0.49 1.25 0.00 0.00 0.00 179.25 179.92 2yru h LEU 26 N -0.97 -1.71 -0.57 0.00 5.85 -0.76 0.85 115.31 118.01 2yru h LEU 26 Ca -0.01 0.26 0.12 0.00 0.84 0.00 0.00 57.88 59.09 2yru h LEU 26 Cb 0.52 0.75 -0.11 0.00 0.37 0.00 0.00 40.66 42.19 2yru h LEU 26 CO 0.01 -0.34 -0.11 -0.33 -0.34 0.00 0.00 178.44 177.33 2yru h GLU 27 N -0.25 0.02 -0.53 1.25 5.08 -1.50 1.63 114.58 120.29 2yru h GLU 27 Ca 0.15 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2yru h GLU 27 Cb 0.56 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 2yru h GLU 27 CO -0.70 0.02 0.33 -0.44 -1.00 0.00 0.00 179.01 177.22 2yru h ASP 28 N 0.02 0.61 0.94 1.42 3.32 -0.47 0.90 116.42 123.17 2yru h ASP 28 Ca 0.28 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.18 2yru h ASP 28 Cb 0.43 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 2yru h ASP 28 CO -0.56 0.46 -0.58 0.00 -1.72 0.00 0.00 179.24 176.83 2yru n HIS 30 N -3.51 0.04 -1.92 0.00 -0.00 0.51 0.20 115.22 110.54 2yru n HIS 30 Ca -0.00 0.02 0.05 0.00 -0.00 0.00 0.00 57.72 57.79 2yru n HIS 30 Cb 0.66 -0.53 0.14 0.00 -0.00 0.00 0.00 29.99 30.27 2yru n HIS 30 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2yru n GLY 31 N -0.35 3.66 0.83 1.57 0.00 -0.96 -4.79 105.19 105.15 2yru n GLY 31 Ca 0.03 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.90 2yru n GLY 31 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2yru n HIS 32 N -0.54 -1.04 -3.18 1.61 -0.00 -0.74 -5.04 115.22 106.28 2yru n HIS 32 Ca 0.14 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.53 2yru n HIS 32 Cb 0.85 0.21 -0.06 0.00 -0.00 0.00 0.00 29.99 30.99 2yru n HIS 32 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 2yru s THR 33 N -1.47 4.70 0.92 1.59 2.01 0.52 -5.05 115.64 118.87 2yru s THR 33 Ca 0.00 0.95 -0.12 0.00 0.31 0.00 0.00 61.69 62.83 2yru s THR 33 Cb 0.00 -3.67 0.19 0.00 0.01 0.00 0.00 72.50 69.03 2yru s THR 33 CO 0.00 -0.06 0.43 0.29 -0.69 0.00 0.00 174.62 174.60 2yru n LYS 34 N -0.02 -1.79 -0.03 4.92 5.02 -1.26 -4.59 118.16 120.41 2yru n LYS 34 Ca 0.01 -0.73 -0.01 0.00 -2.02 0.00 0.00 58.31 55.57 2yru n LYS 34 Cb 0.52 -1.30 -0.00 0.00 -0.02 0.00 0.00 35.03 34.23 2yru n LYS 34 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2yru h LYS 35 N 0.00 0.00 -0.89 1.97 1.63 -1.97 -3.26 116.57 114.05 2yru h LYS 35 Ca -0.20 0.00 0.15 0.00 -0.85 0.00 0.00 60.65 59.76 2yru h LYS 35 Cb 0.66 0.00 -0.15 0.00 -0.60 0.00 0.00 32.23 32.14 2yru h LYS 35 CO 0.12 0.00 -0.30 1.04 -3.45 0.00 0.00 179.45 176.86 2yru n GLN 36 N -3.31 -0.16 -0.06 1.90 3.00 -1.26 0.01 117.38 117.50 2yru n GLN 36 Ca -0.01 1.38 -0.10 0.00 -0.01 0.00 0.00 57.00 58.26 2yru n GLN 36 Cb 0.04 -2.05 -0.07 0.00 0.00 0.00 0.00 30.24 28.15 2yru n GLN 36 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.06 176.82 2yru h VAL 37 N 0.00 0.00 -0.41 5.09 3.04 -1.94 0.40 116.25 122.43 2yru h VAL 37 Ca 0.35 0.00 0.04 0.00 -1.01 0.00 0.00 66.70 66.08 2yru h VAL 37 Cb 0.58 0.00 -0.06 0.00 -2.01 0.00 0.00 31.29 29.79 2yru h VAL 37 CO -0.90 0.00 -0.37 0.00 -1.01 0.00 0.00 177.57 175.30 2yru n ASP 39 N -4.42 0.18 0.07 0.00 -0.08 -0.37 0.11 116.55 112.03 2yru n ASP 39 Ca -0.01 1.33 -0.03 0.00 -1.51 0.00 0.00 54.79 54.57 2yru n ASP 39 Cb 0.20 -0.66 -0.01 0.00 2.34 0.00 0.00 41.12 42.99 2yru n ASP 39 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 2yru h ASP 40 N 0.00 -0.17 -0.20 1.67 3.58 0.41 -1.47 116.42 120.24 2yru h ASP 40 Ca 0.90 0.01 0.03 0.00 0.42 0.00 0.00 57.03 58.39 2yru h ASP 40 Cb 3.02 0.04 -0.07 0.00 1.72 0.00 0.00 39.33 44.05 2yru h ASP 40 CO -0.39 0.03 -0.52 0.40 -2.88 0.00 0.00 179.24 175.87 2yru h ILE 41 N -0.50 0.00 -0.46 2.25 2.04 0.28 -1.28 117.51 119.83 2yru h ILE 41 Ca -0.02 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.92 2yru h ILE 41 Cb 0.16 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.14 2yru h ILE 41 CO 0.03 0.00 -0.38 0.77 0.00 0.00 0.00 178.15 178.57 2yru h SER 42 N -0.50 -1.28 -1.23 1.72 4.64 0.64 0.47 113.55 118.01 2yru h SER 42 Ca 0.04 0.22 0.44 0.00 -0.47 0.00 0.00 61.79 62.01 2yru h SER 42 Cb 0.62 0.59 -0.15 0.00 -0.31 0.00 0.00 62.40 63.15 2yru h SER 42 CO -0.46 -0.34 0.76 0.03 -0.87 0.00 0.00 176.83 175.95 2yru h ARG 43 N -0.26 0.06 -0.03 4.77 2.47 -0.14 0.95 114.38 122.21 2yru h ARG 43 Ca 0.17 -0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.86 2yru h ARG 43 Cb 0.56 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.87 2yru h ARG 43 CO -0.60 0.04 -0.08 0.00 0.56 0.00 0.00 179.97 179.88 2yru h ARG 44 N 0.06 0.11 -0.26 0.04 2.47 0.65 -3.22 114.38 114.22 2yru h ARG 44 Ca 0.84 -0.08 0.06 0.00 -1.26 0.00 0.00 59.98 59.55 2yru h ARG 44 Cb 2.50 0.01 -0.07 0.00 -1.65 0.00 0.00 29.97 30.75 2yru h ARG 44 CO -0.54 0.69 -0.25 -0.07 0.56 0.00 0.00 179.97 180.35 2yru h LEU 45 N -0.46 -0.82 -1.00 3.04 3.38 0.19 0.28 115.31 119.93 2yru h LEU 45 Ca -0.00 0.15 0.36 0.00 0.09 0.00 0.00 57.88 58.48 2yru h LEU 45 Cb 0.70 0.39 -0.17 0.00 0.09 0.00 0.00 40.66 41.67 2yru h LEU 45 CO 0.02 -0.29 0.52 0.00 0.09 0.00 0.00 178.44 178.78 2yru h ALA 46 N 0.79 2.01 0.03 1.53 0.00 -0.93 0.63 119.26 123.32 2yru h ALA 46 Ca 0.14 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 2yru h ALA 46 Cb 0.47 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2yru h ALA 46 CO -0.41 -0.76 -0.01 1.25 0.00 0.00 0.00 179.25 179.32 2yru h LEU 47 N 0.15 -0.03 -0.86 0.00 6.46 -0.61 -2.11 115.31 118.30 2yru h LEU 47 Ca 0.78 -0.62 0.14 0.00 -0.12 0.00 0.00 57.88 58.07 2yru h LEU 47 Cb 1.92 0.01 -0.15 0.00 -0.73 0.00 0.00 40.66 41.71 2yru h LEU 47 CO -0.70 0.63 -0.34 0.25 -0.62 0.00 0.00 178.44 177.65 2yru h LEU 48 N -0.72 -1.24 0.08 2.25 5.85 0.32 1.32 115.31 123.15 2yru h LEU 48 Ca -0.00 0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 2yru h LEU 48 Cb 0.65 0.67 0.00 0.00 0.37 0.00 0.00 40.66 42.35 2yru h LEU 48 CO 0.01 -0.29 -0.04 -0.09 -0.34 0.00 0.00 178.44 177.69 2yru h ARG 49 N -0.05 -0.10 -0.50 1.25 2.43 -0.88 0.34 114.38 116.88 2yru h ARG 49 Ca 0.33 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.59 2yru h ARG 49 Cb 0.59 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.09 2yru h ARG 49 CO -0.89 0.00 0.07 0.93 -1.51 0.00 0.00 179.97 178.58 2yru h GLU 50 N -0.18 0.20 -0.49 0.20 5.08 0.16 1.00 114.58 120.55 2yru h GLU 50 Ca -0.01 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 2yru h GLU 50 Cb 0.15 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2yru h GLU 50 CO 0.02 0.13 -0.04 1.96 -1.00 0.00 0.00 179.01 180.08 2yru h GLN 51 N 0.20 0.85 0.55 2.33 4.20 0.18 1.51 115.11 124.92 2yru h GLN 51 Ca 0.25 -0.26 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 2yru h GLN 51 Cb 0.35 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.05 2yru h GLN 51 CO -0.35 0.87 -0.26 2.35 -0.67 0.00 0.00 178.83 180.77 2yru h TRP 52 N 0.78 -0.68 0.82 2.96 2.91 0.14 0.18 115.95 123.05 2yru h TRP 52 Ca 0.14 -0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.11 2yru h TRP 52 Cb 0.52 0.23 0.00 0.00 -0.51 0.00 0.00 29.16 29.40 2yru h TRP 52 CO 0.03 -0.43 -0.44 0.00 -1.03 0.00 0.00 178.44 176.58 2yru h ALA 53 N -1.46 -1.17 -1.17 2.65 0.00 0.96 -2.16 119.26 116.91 2yru h ALA 53 Ca -0.08 -0.25 0.40 0.00 0.00 0.00 0.00 54.91 54.99 2yru h ALA 53 Cb 0.57 0.50 -0.11 0.00 0.00 0.00 0.00 17.79 18.75 2yru h ALA 53 CO 0.12 -1.17 0.76 0.41 0.00 0.00 0.00 179.25 179.38 2yru n GLY 54 N -1.60 -0.71 0.55 0.00 0.00 0.51 -4.70 105.19 99.25 2yru n GLY 54 Ca -0.15 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 -1.45 1.48 0.04 -0.02 0.00 -0.81 -4.98 105.19 99.45 2yru n GLY 55 Ca 0.34 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.12 0.37 -2.89 1.61 4.76 0.58 -4.91 118.16 116.56 2yru n LYS 56 Ca 0.00 -0.01 -0.32 0.00 -2.87 0.00 0.00 58.31 55.11 2yru n LYS 56 Cb 0.13 -1.61 -0.06 0.00 -1.84 0.00 0.00 35.03 31.65 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 -4.15 3.93 0.43 -0.35 1.43 -0.91 -5.01 118.68 114.04 2yru s LEU 57 Ca 0.02 1.43 -0.08 0.00 -1.03 0.00 0.00 54.13 54.47 2yru s LEU 57 Cb 0.14 -4.28 -0.05 0.00 0.03 0.00 0.00 46.19 42.03 2yru s LEU 57 CO 0.82 -0.34 0.76 -0.94 0.23 0.00 0.00 176.35 176.87 2yru s SER 58 N -2.48 6.41 0.16 2.29 1.04 -1.26 -4.97 113.70 114.89 2yru s SER 58 Ca 0.57 1.01 -0.15 0.00 0.48 0.00 0.00 55.95 57.86 2yru s SER 58 Cb -0.10 -2.27 0.04 0.00 0.10 0.00 0.00 66.02 63.79 2yru s SER 58 CO 0.20 -0.45 1.81 0.40 0.98 0.00 0.00 173.24 176.18 2yru h ILE 59 N 0.76 1.14 0.00 -1.02 2.04 -2.00 -0.11 117.51 118.32 2yru h ILE 59 Ca -0.47 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.11 2yru h ILE 59 Cb 1.19 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 2yru h ILE 59 CO 0.63 0.13 0.00 -0.81 0.00 0.00 0.00 178.15 178.11 2yru n PRO 60 N -4.73 0.51 0.05 2.37 -0.04 -1.26 -2.02 135.00 129.88 2yru n PRO 60 Ca 0.02 0.04 0.05 0.00 -0.04 0.00 0.00 63.50 63.57 2yru n PRO 60 Cb 0.04 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.94 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 -1.16 0.85 -0.03 0.52 0.31 -0.10 -3.08 118.33 115.64 2yru n VAL 61 Ca 0.14 -0.62 -0.21 0.00 -0.01 0.00 0.00 64.34 63.63 2yru n VAL 61 Cb 0.14 -0.49 -0.13 0.00 -0.91 0.00 0.00 33.84 32.44 2yru n VAL 61 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2yru n LYS 62 N -2.74 0.71 -0.02 5.55 5.02 -0.90 -2.73 118.16 123.05 2yru n LYS 62 Ca -0.06 0.30 0.01 0.00 -2.02 0.00 0.00 58.31 56.54 2yru n LYS 62 Cb 0.71 -1.69 0.32 0.00 -0.02 0.00 0.00 35.03 34.35 2yru n LYS 62 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2yru h LYS 63 N -0.15 0.57 -0.04 1.97 6.56 -1.57 -1.34 116.57 122.57 2yru h LYS 63 Ca -0.44 -0.09 -0.19 0.00 -1.06 0.00 0.00 60.65 58.87 2yru h LYS 63 Cb 1.89 -0.10 0.01 0.00 -0.57 0.00 0.00 32.23 33.46 2yru h LYS 63 CO 0.00 0.51 -0.71 0.00 -2.06 0.00 0.00 179.45 177.20 2yru h ARG 64 N 0.56 0.54 0.55 3.15 3.08 -1.69 -3.29 114.38 117.28 2yru h ARG 64 Ca 0.13 -0.54 -0.02 0.00 0.07 0.00 0.00 59.98 59.63 2yru h ARG 64 Cb 0.20 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 2yru h ARG 64 CO -0.01 1.16 -0.49 0.52 -1.07 0.00 0.00 179.97 180.08 2yru h MET 65 N 0.13 -0.98 -1.28 0.04 2.86 -1.25 -1.29 114.93 113.15 2yru h MET 65 Ca -0.08 0.07 0.45 0.00 -2.06 0.00 0.00 59.70 58.08 2yru h MET 65 Cb 1.38 0.22 -0.13 0.00 0.06 0.00 0.00 31.60 33.13 2yru h MET 65 CO 0.14 -0.66 0.82 0.00 1.06 0.00 0.00 176.91 178.27 2yru n ALA 66 N -2.79 1.27 0.33 6.32 0.00 -0.55 0.83 120.51 125.92 2yru n ALA 66 Ca -0.12 0.83 -0.15 0.00 0.00 0.00 0.00 53.44 54.00 2yru n ALA 66 Cb 0.46 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.83 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 -0.95 -1.00 0.00 3.38 -1.30 0.72 115.31 116.15 2yru h LEU 67 Ca 0.83 0.05 0.18 0.00 0.09 0.00 0.00 57.88 59.04 2yru h LEU 67 Cb 2.65 0.28 -0.11 0.00 0.09 0.00 0.00 40.66 43.58 2yru h LEU 67 CO -0.46 -0.57 0.61 0.25 0.09 0.00 0.00 178.44 178.36 2yru h LEU 68 N -0.91 0.80 0.62 1.67 6.46 0.57 -1.13 115.31 123.39 2yru h LEU 68 Ca -0.08 0.09 -0.03 0.00 -0.12 0.00 0.00 57.88 57.74 2yru h LEU 68 Cb 0.74 -0.05 0.01 0.00 -0.73 0.00 0.00 40.66 40.62 2yru h LEU 68 CO 0.08 0.30 -0.30 0.58 -0.62 0.00 0.00 178.44 178.47 2yru h VAL 69 N 0.79 0.00 -1.00 1.05 2.07 -0.48 0.65 116.25 119.33 2yru h VAL 69 Ca 0.57 -0.03 0.36 0.00 0.82 0.00 0.00 66.70 68.42 2yru h VAL 69 Cb 0.86 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.45 2yru h VAL 69 CO -0.37 0.00 0.35 1.56 0.02 0.00 0.00 177.57 179.13 2yru h GLN 70 N -0.87 0.01 0.34 1.57 1.08 0.12 0.58 115.11 117.94 2yru h GLN 70 Ca -0.09 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 2yru h GLN 70 Cb 0.64 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 2yru h GLN 70 CO 0.14 0.01 -0.17 0.93 -0.95 0.00 0.00 178.83 178.79 2yru h GLU 71 N 0.01 -0.45 -0.92 1.46 4.39 -0.94 -2.31 114.58 115.82 2yru h GLU 71 Ca 0.76 0.03 0.25 0.00 0.34 0.00 0.00 59.36 60.74 2yru h GLU 71 Cb 1.86 0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 30.57 2yru h GLU 71 CO -0.83 -0.15 0.65 1.25 -1.16 0.00 0.00 179.01 178.78 2yru h LEU 72 N -0.75 0.10 -0.36 1.33 6.46 0.24 0.70 115.31 123.02 2yru h LEU 72 Ca -0.05 0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.66 2yru h LEU 72 Cb 0.51 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.42 2yru h LEU 72 CO 0.08 0.03 -0.04 -0.07 -0.62 0.00 0.00 178.44 177.82 2yru h LEU 73 N 0.10 0.66 -0.19 2.25 3.38 -0.22 -2.05 115.31 119.24 2yru h LEU 73 Ca 0.45 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2yru h LEU 73 Cb 1.63 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.20 2yru h LEU 73 CO -0.05 0.84 -0.02 1.41 0.09 0.00 0.00 178.44 180.70 2yru n HIS 74 N -4.45 0.00 -0.63 1.13 8.25 0.19 -4.85 115.22 114.87 2yru n HIS 74 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2yru n HIS 74 Cb 0.31 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.34 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 -0.86 0.00 -1.08 4.41 8.25 0.15 -4.93 115.22 121.16 2yru n HIS 75 Ca 0.20 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.26 2yru n HIS 75 Cb 0.20 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.23 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 0.91 -0.02 -0.41 1.13 0.14 -4.60 117.38 112.53 2yru n GLN 76 Ca 0.00 -1.63 -0.12 0.00 -1.94 0.00 0.00 57.00 53.31 2yru n GLN 76 Cb 0.00 -2.96 -0.06 0.00 0.11 0.00 0.00 30.24 27.33 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 9.10 0.15 -0.92 1.08 4.06 -1.91 0.93 115.95 128.44 2yru h TRP 77 Ca 0.31 -0.01 0.26 0.00 2.06 0.00 0.00 58.89 61.51 2yru h TRP 77 Cb 0.74 -0.04 -0.14 0.00 -1.00 0.00 0.00 29.16 28.71 2yru h TRP 77 CO 1.14 0.27 0.33 0.38 -3.56 0.00 0.00 178.44 177.00 2yru h ASP 78 N -0.02 0.14 0.02 -3.49 2.03 -1.97 0.35 116.42 113.49 2yru h ASP 78 Ca 0.03 0.20 -0.00 0.00 -0.73 0.00 0.00 57.03 56.53 2yru h ASP 78 Cb 0.19 0.23 0.00 0.00 -0.83 0.00 0.00 39.33 38.92 2yru h ASP 78 CO -0.00 -0.15 -0.01 0.00 -1.03 0.00 0.00 179.24 178.05 2yru h ALA 79 N 1.80 -0.03 -0.77 4.15 0.00 -1.80 -1.73 119.26 120.87 2yru h ALA 79 Ca 0.60 -0.27 0.15 0.00 0.00 0.00 0.00 54.91 55.40 2yru h ALA 79 Cb 1.27 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.92 2yru h ALA 79 CO -0.64 -0.24 -0.19 0.00 0.00 0.00 0.00 179.25 178.17 2yru h ALA 80 N 0.36 0.51 -0.63 0.00 0.00 0.20 0.79 119.26 120.49 2yru h ALA 80 Ca -0.00 0.30 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 2yru h ALA 80 Cb 0.54 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2yru h ALA 80 CO 0.01 -0.41 0.25 0.22 0.00 0.00 0.00 179.25 179.32 2yru h ASP 81 N 0.00 0.87 -0.08 0.00 1.82 -0.49 0.41 116.42 118.95 2yru h ASP 81 Ca 0.37 -0.17 0.04 0.00 -0.39 0.00 0.00 57.03 56.88 2yru h ASP 81 Cb 0.57 -0.23 -0.06 0.00 0.68 0.00 0.00 39.33 40.29 2yru h ASP 81 CO -0.79 0.80 -0.42 -0.78 -1.61 0.00 0.00 179.24 176.43 2yru h ASP 82 N 0.89 -1.32 -0.12 2.28 3.58 0.14 0.71 116.42 122.58 2yru h ASP 82 Ca 0.21 0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.82 2yru h ASP 82 Cb 0.20 0.53 -0.00 0.00 1.72 0.00 0.00 39.33 41.78 2yru h ASP 82 CO -0.02 -0.44 0.04 0.40 -2.88 0.00 0.00 179.24 176.34 2yru h ILE 83 N -0.53 1.18 -1.02 2.25 2.04 -0.61 -1.92 117.51 118.90 2yru h ILE 83 Ca 0.06 -0.54 0.26 0.00 1.00 0.00 0.00 64.86 65.65 2yru h ILE 83 Cb 0.64 1.31 -0.12 0.00 -0.74 0.00 0.00 36.82 37.91 2yru h ILE 83 CO -0.37 0.16 0.61 -0.74 0.00 0.00 0.00 178.15 177.81 2yru h HIS 84 N 0.01 0.93 0.35 1.37 -0.00 0.52 0.30 115.15 118.62 2yru h HIS 84 Ca 0.04 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.42 2yru h HIS 84 Cb 0.22 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.36 2yru h HIS 84 CO -0.00 0.04 -0.17 0.00 -0.00 0.00 0.00 177.93 177.80 2yru h ARG 85 N 0.51 -0.45 -1.16 5.26 2.47 0.89 -0.81 114.38 121.09 2yru h ARG 85 Ca 0.65 0.03 0.33 0.00 -1.26 0.00 0.00 59.98 59.73 2yru h ARG 85 Cb 1.35 0.10 -0.09 0.00 -1.65 0.00 0.00 29.97 29.69 2yru h ARG 85 CO -0.45 -0.14 0.78 0.77 0.56 0.00 0.00 179.97 181.49 2yru h SER 86 N -0.80 0.27 -0.07 7.04 0.02 -0.24 0.81 113.55 120.58 2yru h SER 86 Ca -0.05 0.07 -0.17 0.00 -0.84 0.00 0.00 61.79 60.80 2yru h SER 86 Cb 0.52 0.03 0.01 0.00 0.14 0.00 0.00 62.40 63.10 2yru h SER 86 CO 0.08 0.01 -0.63 -0.07 -1.14 0.00 0.00 176.83 175.08 2yru h LEU 87 N 0.21 0.67 0.00 5.07 3.38 -0.88 -2.92 115.31 120.84 2yru h LEU 87 Ca 0.64 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2yru h LEU 87 Cb 1.98 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.53 2yru h LEU 87 CO -0.23 1.26 0.00 0.23 0.09 0.00 0.00 178.44 179.79 2yru n MET 88 N -4.15 0.05 -0.04 1.13 2.81 0.26 -0.86 117.12 116.32 2yru n MET 88 Ca -0.09 0.29 -0.00 0.00 -1.81 0.00 0.00 57.70 56.09 2yru n MET 88 Cb 0.67 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.68 2yru n MET 88 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2yru h VAL 89 N 0.00 0.00 0.00 2.03 2.07 -0.70 -3.38 116.25 116.27 2yru h VAL 89 Ca 0.00 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.81 2yru h VAL 89 Cb 0.13 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 2yru h VAL 89 CO 0.00 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.06 2yru n ASP 90 N -3.98 0.00 -3.32 0.57 9.92 -1.15 -4.56 116.55 114.03 2yru n ASP 90 Ca -0.00 0.11 -0.35 0.00 -0.53 0.00 0.00 54.79 54.02 2yru n ASP 90 Cb 0.00 -0.49 -0.02 0.00 -0.64 0.00 0.00 41.12 39.97 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 -2.37 2.21 -0.08 1.24 8.25 -0.04 -4.38 115.22 120.04 2yru n HIS 91 Ca 0.00 -2.73 -0.15 0.00 -0.26 0.00 0.00 57.72 54.58 2yru n HIS 91 Cb 0.00 -2.25 -0.10 0.00 1.12 0.00 0.00 29.99 28.76 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 3.26 1.16 -0.37 1.59 3.04 -1.44 -3.13 116.25 120.36 2yru h VAL 92 Ca 0.73 -2.05 -0.07 0.00 -1.01 0.00 0.00 66.70 64.30 2yru h VAL 92 Cb 0.29 2.38 -0.02 0.00 -2.01 0.00 0.00 31.29 31.93 2yru h VAL 92 CO 1.71 0.39 -0.08 0.74 -1.01 0.00 0.00 177.57 179.32 2yru h THR 93 N -1.00 1.24 -0.34 3.17 2.02 -1.88 0.56 112.91 116.67 2yru h THR 93 Ca -0.13 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.03 2yru h THR 93 Cb 0.97 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.40 2yru h THR 93 CO -0.08 0.35 0.22 -0.33 0.37 0.00 0.00 175.52 176.06 2yru h GLU 94 N 0.58 0.45 0.00 6.66 5.08 -1.88 -2.12 114.58 123.35 2yru h GLU 94 Ca 0.11 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 2yru h GLU 94 Cb 0.49 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2yru h GLU 94 CO 0.03 0.29 -0.50 -0.39 -1.00 0.00 0.00 179.01 177.44 2yru h VAL 95 N 0.46 0.88 -2.49 3.13 -1.51 -1.43 -3.46 116.25 111.83 2yru h VAL 95 Ca 0.13 -2.18 -0.37 0.00 -1.23 0.00 0.00 66.70 63.05 2yru h VAL 95 Cb -0.05 2.39 0.20 0.00 -2.13 0.00 0.00 31.29 31.70 2yru h VAL 95 CO -0.03 0.49 -0.51 -1.54 -1.23 0.00 0.00 177.57 174.75 2yru n SER 96 N -3.25 -2.82 0.00 4.19 3.41 0.19 0.16 113.62 115.50 2yru n SER 96 Ca 0.02 -0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.26 2yru n SER 96 Cb 0.72 -0.97 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 2yru n SER 96 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2yru n GLN 97 N -3.31 -0.08 0.00 4.33 6.02 -1.26 -4.09 117.38 118.99 2yru n GLN 97 Ca 0.05 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 2yru n GLN 97 Cb 0.54 -3.26 0.00 0.00 1.02 0.00 0.00 30.24 28.54 2yru n GLN 97 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 177.06 173.38 2yru n TRP 98 N -2.08 -0.67 -0.50 1.08 4.27 -1.19 -4.84 117.44 113.52 2yru n TRP 98 Ca 0.00 0.00 0.40 0.00 -3.89 0.00 0.00 57.50 54.01 2yru n TRP 98 Cb 0.02 0.13 0.65 0.00 -1.36 0.00 0.00 31.31 30.75 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 -1.64 -0.02 -0.16 -2.67 1.56 0.42 0.22 117.12 114.84 2yru n MET 99 Ca 0.00 1.04 -0.02 0.00 -0.27 0.00 0.00 57.70 58.45 2yru n MET 99 Cb 0.00 -2.18 0.07 0.00 2.15 0.00 0.00 33.22 33.26 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 0.71 0.57 1.12 -1.51 -1.92 -0.93 116.25 114.29 2yru h VAL 100 Ca 0.79 -0.08 -0.02 0.00 -1.23 0.00 0.00 66.70 66.16 2yru h VAL 100 Cb 2.83 0.46 -0.00 0.00 -2.13 0.00 0.00 31.29 32.44 2yru h VAL 100 CO -0.25 0.04 -0.37 1.23 -1.23 0.00 0.00 177.57 177.00 2yru h GLY 101 N 0.23 -1.08 -0.92 5.19 0.00 0.24 -2.39 103.07 104.34 2yru h GLY 101 Ca 0.25 0.45 0.21 0.00 0.00 0.00 0.00 47.33 48.25 2yru h GLY 101 CO -0.34 -0.36 -0.16 -2.08 0.00 0.00 0.00 176.54 173.60 2yru h VAL 102 N -0.88 0.04 -0.56 4.60 2.07 -1.46 1.34 116.25 121.40 2yru h VAL 102 Ca -0.08 -0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.56 2yru h VAL 102 Cb 0.71 0.03 -0.11 0.00 -1.52 0.00 0.00 31.29 30.41 2yru h VAL 102 CO 0.07 0.00 -0.12 0.50 0.02 0.00 0.00 177.57 178.03 2yru h LYS 103 N 0.01 0.01 -0.15 1.57 3.64 -0.85 0.16 116.57 120.96 2yru h LYS 103 Ca 0.50 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.85 2yru h LYS 103 Cb 0.85 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 2yru h LYS 103 CO -0.96 0.01 -0.02 -0.09 -2.27 0.00 0.00 179.45 176.11 2yru h ARG 104 N 0.01 0.29 -0.68 1.90 9.65 0.19 -3.03 114.38 122.72 2yru h ARG 104 Ca 0.27 -0.10 0.13 0.00 -1.10 0.00 0.00 59.98 59.18 2yru h ARG 104 Cb 0.42 -0.02 -0.13 0.00 -1.39 0.00 0.00 29.97 28.85 2yru h ARG 104 CO -0.57 0.54 -0.21 1.25 2.80 0.00 0.00 179.97 183.79 2yru h LEU 105 N 0.00 -0.76 -0.04 3.80 5.85 0.15 0.31 115.31 124.62 2yru h LEU 105 Ca 0.04 0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.99 2yru h LEU 105 Cb 0.43 0.46 -0.04 0.00 0.37 0.00 0.00 40.66 41.88 2yru h LEU 105 CO 0.01 -0.25 -0.35 0.40 -0.34 0.00 0.00 178.44 177.92 2yru h ILE 106 N -0.04 0.00 -0.46 4.05 2.04 -0.65 0.78 117.51 123.23 2yru h ILE 106 Ca 0.31 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.22 2yru h ILE 106 Cb 0.52 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.53 2yru h ILE 106 CO -0.71 0.00 -0.39 0.00 0.00 0.00 0.00 178.15 177.05 2yru h ALA 107 N -0.76 -0.51 -0.29 1.87 0.00 -1.06 0.57 119.26 119.09 2yru h ALA 107 Ca 0.01 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2yru h ALA 107 Cb 0.45 1.12 -0.07 0.00 0.00 0.00 0.00 17.79 19.28 2yru h ALA 107 CO -0.25 -0.74 -0.55 0.93 0.00 0.00 0.00 179.25 178.64 2yru h GLU 108 N -0.14 -0.46 -0.52 0.00 4.39 -0.53 0.58 114.58 117.89 2yru h GLU 108 Ca 0.08 0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.87 2yru h GLU 108 Cb 0.34 0.10 -0.09 0.00 -0.10 0.00 0.00 28.75 29.00 2yru h GLU 108 CO -0.51 -0.31 -0.52 0.87 -1.16 0.00 0.00 179.01 177.38 2yru h LYS 109 N -0.48 -0.29 -0.52 2.33 1.79 0.18 0.74 116.57 120.32 2yru h LYS 109 Ca 0.06 0.02 0.10 0.00 -2.18 0.00 0.00 60.65 58.65 2yru h LYS 109 Cb 0.63 0.07 -0.09 0.00 -1.58 0.00 0.00 32.23 31.26 2yru h LYS 109 CO -0.53 -0.20 -0.05 -0.22 -1.08 0.00 0.00 179.45 177.38 2yru h LYS 110 N -0.30 0.07 -0.18 3.15 3.64 0.11 -0.55 116.57 122.50 2yru h LYS 110 Ca 0.12 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.54 2yru h LYS 110 Cb 0.57 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.32 2yru h LYS 110 CO -0.66 0.05 -0.13 0.77 -2.27 0.00 0.00 179.45 177.20 2yru h SER 111 N 0.07 -0.43 -0.39 4.20 0.02 0.33 0.44 113.55 117.79 2yru h SER 111 Ca 0.26 0.09 0.04 0.00 -0.84 0.00 0.00 61.79 61.34 2yru h SER 111 Cb 0.40 0.22 -0.06 0.00 0.14 0.00 0.00 62.40 63.10 2yru h SER 111 CO -0.47 -0.17 -0.35 -0.07 -1.14 0.00 0.00 176.83 174.62 2yru h LEU 112 N -0.14 -1.23 -0.76 5.07 3.38 0.19 0.24 115.31 122.06 2yru h LEU 112 Ca 0.11 0.17 0.14 0.00 0.09 0.00 0.00 57.88 58.39 2yru h LEU 112 Cb 0.30 0.52 -0.09 0.00 0.09 0.00 0.00 40.66 41.47 2yru h LEU 112 CO -0.27 -0.21 0.32 0.28 0.09 0.00 0.00 178.44 178.65 2yru h SER 113 N -0.15 0.31 -5.14 -0.43 0.02 -1.05 -3.47 113.55 103.65 2yru h SER 113 Ca 0.07 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2yru h SER 113 Cb 0.32 0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.94 2yru h SER 113 CO -0.45 0.12 -0.38 0.61 -1.14 0.00 0.00 176.83 175.59 2yru n GLY 114 N -1.32 -1.26 3.62 -3.77 0.00 0.84 -4.90 105.19 98.40 2yru n GLY 114 Ca 0.15 1.04 -0.43 0.00 0.00 0.00 0.00 46.02 46.77 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 -2.59 3.84 -0.38 1.61 0.04 -1.26 -4.97 135.00 131.28 2yru s PRO 115 Ca 0.19 1.23 0.03 0.00 0.04 0.00 0.00 61.00 62.49 2yru s PRO 115 Cb -0.05 -3.92 0.11 0.00 0.04 0.00 0.00 34.50 30.67 2yru s PRO 115 CO 0.71 -1.22 0.12 0.45 0.04 0.00 0.00 177.00 177.10 2yru s SER 116 N 3.16 4.41 0.28 6.66 0.15 -1.26 -5.00 113.70 122.11 2yru s SER 116 Ca 0.59 -2.27 0.00 0.00 0.70 0.00 0.00 55.95 54.97 2yru s SER 116 Cb -0.17 -1.41 0.00 0.00 -1.71 0.00 0.00 66.02 62.73 2yru s SER 116 CO 0.26 -0.35 0.00 -1.20 1.20 0.00 0.00 173.24 173.15 2yru n SER 117 N 4.08 -8.68 0.00 5.45 7.64 -1.26 -5.33 113.62 115.52 2yru n SER 117 Ca 0.03 1.25 0.00 0.00 1.01 0.00 0.00 58.87 61.17 2yru n SER 117 Cb 0.39 -4.64 0.00 0.00 -1.01 0.00 0.00 64.21 58.95 2yru n SER 117 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64