#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 -0.66 -0.69 1.61 1.04 -1.26 -5.11 113.70 108.64 2yru s SER 2 Ca 0.00 -0.29 -0.27 0.00 0.48 0.00 0.00 55.95 55.86 2yru s SER 2 Cb 0.00 0.89 0.02 0.00 0.10 0.00 0.00 66.02 67.03 2yru s SER 2 CO 0.00 -0.08 1.35 -0.44 0.98 0.00 0.00 173.24 175.05 2yru s SER 3 N 2.03 6.10 0.00 7.02 0.01 -1.26 -4.95 113.70 122.65 2yru s SER 3 Ca 0.16 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.20 2yru s SER 3 Cb 0.01 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2yru s SER 3 CO -0.14 -1.84 0.00 0.61 0.41 0.00 0.00 173.24 172.28 2yru n GLY 4 N 5.36 0.41 2.83 3.44 0.00 -1.26 -5.05 105.19 110.92 2yru n GLY 4 Ca 0.07 -0.04 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.24 0.20 0.21 1.61 1.04 -1.26 -5.15 113.70 109.10 2yru s SER 5 Ca 0.00 -0.00 0.08 0.00 0.48 0.00 0.00 55.95 56.51 2yru s SER 5 Cb 0.00 -0.09 -0.04 0.00 0.10 0.00 0.00 66.02 65.98 2yru s SER 5 CO 0.00 -0.07 0.01 -0.44 0.98 0.00 0.00 173.24 173.72 2yru s SER 6 N 0.66 4.71 0.50 7.02 0.01 -1.26 -5.14 113.70 120.21 2yru s SER 6 Ca -0.06 -0.48 0.03 0.00 1.31 0.00 0.00 55.95 56.75 2yru s SER 6 Cb -0.09 -0.97 -0.01 0.00 0.21 0.00 0.00 66.02 65.17 2yru s SER 6 CO -0.02 0.05 0.14 -0.83 0.41 0.00 0.00 173.24 173.00 2yru s GLY 7 N -3.26 2.72 -0.14 3.44 0.00 -1.26 -5.15 107.32 103.67 2yru s GLY 7 Ca 0.29 -0.95 -0.07 0.00 0.00 0.00 0.00 44.72 43.98 2yru s GLY 7 CO 0.19 -2.08 0.34 0.14 0.00 0.00 0.00 173.10 171.69 2yru s VAL 8 N -2.80 -0.04 -0.31 1.40 1.01 -1.26 -5.12 120.40 113.28 2yru s VAL 8 Ca 0.20 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.27 2yru s VAL 8 Cb 0.01 -0.51 0.11 0.00 0.00 0.00 0.00 36.38 35.99 2yru s VAL 8 CO 0.11 0.05 0.15 -0.63 0.00 0.00 0.00 175.10 174.78 2yru s ILE 9 N 1.36 0.07 -0.25 2.22 1.01 -1.26 -5.09 121.20 119.26 2yru s ILE 9 Ca -0.09 -1.04 -0.05 0.00 0.00 0.00 0.00 60.65 59.47 2yru s ILE 9 Cb -0.09 -1.08 0.13 0.00 0.01 0.00 0.00 42.46 41.43 2yru s ILE 9 CO -0.11 -0.79 0.49 -1.61 0.00 0.00 0.00 174.94 172.93 2yru s GLU 10 N 1.81 0.43 -0.62 2.79 2.02 -1.26 -5.09 118.70 118.79 2yru s GLU 10 Ca 0.11 0.98 0.05 0.00 0.02 0.00 0.00 54.97 56.13 2yru s GLU 10 Cb -0.18 0.27 0.18 0.00 0.10 0.00 0.00 34.13 34.49 2yru s GLU 10 CO -0.27 -0.43 0.47 0.45 0.02 0.00 0.00 175.26 175.50 2yru n SER 11 N 5.40 2.09 -3.15 -0.19 2.88 -1.26 -5.00 113.62 114.40 2yru n SER 11 Ca -0.06 -3.00 0.06 0.00 -1.33 0.00 0.00 58.87 54.54 2yru n SER 11 Cb 0.50 -0.70 -0.02 0.00 -0.75 0.00 0.00 64.21 63.24 2yru n SER 11 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2yru s GLU 12 N -1.13 0.05 0.00 -1.46 -6.30 -1.26 -5.17 118.70 103.43 2yru s GLU 12 Ca 0.28 0.09 0.00 0.00 -2.50 0.00 0.00 54.97 52.84 2yru s GLU 12 Cb -0.00 0.05 -0.00 0.00 0.00 0.00 0.00 34.13 34.17 2yru s GLU 12 CO -0.17 -0.06 -0.01 0.99 0.02 0.00 0.00 175.26 176.04 2yru s THR 13 N 2.99 0.06 0.02 -1.70 2.01 -1.26 -5.10 115.64 112.65 2yru s THR 13 Ca -0.09 -0.10 0.04 0.00 0.31 0.00 0.00 61.69 61.86 2yru s THR 13 Cb -0.09 -0.08 -0.03 0.00 0.01 0.00 0.00 72.50 72.32 2yru s THR 13 CO -0.07 -0.02 -0.10 -0.76 -0.69 0.00 0.00 174.62 172.98 2yru s LEU 14 N -0.13 3.03 0.37 4.42 1.43 -1.26 -5.00 118.68 121.53 2yru s LEU 14 Ca -0.01 -0.22 0.06 0.00 -1.03 0.00 0.00 54.13 52.93 2yru s LEU 14 Cb -0.01 -1.75 0.77 0.00 0.03 0.00 0.00 46.19 45.24 2yru s LEU 14 CO -0.00 0.27 1.98 -0.29 0.23 0.00 0.00 176.35 178.54 2yru h ILE 15 N 3.78 1.03 0.00 -0.59 2.10 -1.99 0.43 117.51 122.28 2yru h ILE 15 Ca -0.48 -0.24 0.00 0.00 1.08 0.00 0.00 64.86 65.22 2yru h ILE 15 Cb 1.16 0.27 0.00 0.00 -1.09 0.00 0.00 36.82 37.16 2yru h ILE 15 CO 0.52 0.13 0.00 -0.33 -1.08 0.00 0.00 178.15 177.39 2yru h GLU 16 N 0.71 0.00 0.00 2.19 4.39 -1.96 0.60 114.58 120.50 2yru h GLU 16 Ca 0.28 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.89 2yru h GLU 16 Cb 0.21 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2yru h GLU 16 CO -0.09 0.00 -1.24 -0.25 -1.16 0.00 0.00 179.01 176.27 2yru n ASP 17 N -2.90 0.83 0.01 1.42 9.92 0.12 -1.39 116.55 124.56 2yru n ASP 17 Ca 0.02 0.34 0.05 0.00 -0.53 0.00 0.00 54.79 54.67 2yru n ASP 17 Cb 0.35 0.35 -0.11 0.00 -0.64 0.00 0.00 41.12 41.07 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 -2.77 0.64 -0.03 2.53 0.31 0.51 -4.18 118.33 115.33 2yru n VAL 18 Ca -0.05 -0.61 -0.11 0.00 -0.01 0.00 0.00 64.34 63.56 2yru n VAL 18 Cb 0.70 -0.32 -0.14 0.00 -0.91 0.00 0.00 33.84 33.16 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 -2.58 1.01 -0.17 7.52 7.99 0.20 -3.20 117.00 127.77 2yru n LEU 19 Ca -0.09 0.31 -0.04 0.00 -0.01 0.00 0.00 56.01 56.18 2yru n LEU 19 Cb 0.72 0.03 0.03 0.00 -0.11 0.00 0.00 43.42 44.10 2yru n LEU 19 CO 0.43 0.48 0.71 0.03 -1.51 0.00 0.00 177.39 177.53 2yru h ARG 20 N 0.01 -0.09 0.03 3.23 2.47 -1.39 0.63 114.38 119.27 2yru h ARG 20 Ca -0.35 0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.37 2yru h ARG 20 Cb 2.05 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 30.39 2yru h ARG 20 CO 0.07 -0.06 -0.01 -1.00 0.56 0.00 0.00 179.97 179.53 2yru h PRO 21 N -0.09 -0.04 -0.97 0.04 0.13 -1.74 -1.56 132.00 127.77 2yru h PRO 21 Ca 0.25 0.00 0.28 0.00 -0.87 0.00 0.00 66.00 65.66 2yru h PRO 21 Cb 0.47 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 31.47 2yru h PRO 21 CO -0.59 0.64 0.48 -0.07 -0.23 0.00 0.00 178.00 178.24 2yru h LEU 22 N -0.79 0.42 -0.06 1.56 3.38 -1.44 0.30 115.31 118.68 2yru h LEU 22 Ca -0.00 0.18 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 2yru h LEU 22 Cb 0.70 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2yru h LEU 22 CO 0.01 -0.08 -0.23 -0.33 0.09 0.00 0.00 178.44 177.90 2yru h GLU 23 N 0.36 0.26 -1.03 1.13 5.08 0.23 -2.81 114.58 117.79 2yru h GLU 23 Ca 0.66 -0.20 0.30 0.00 -1.00 0.00 0.00 59.36 59.12 2yru h GLU 23 Cb 1.41 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.65 2yru h GLU 23 CO -0.59 0.84 0.76 1.96 -1.00 0.00 0.00 179.01 180.99 2yru h GLN 24 N -0.26 0.00 0.02 2.33 1.08 0.57 0.37 115.11 119.21 2yru h GLN 24 Ca -0.01 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.10 2yru h GLN 24 Cb 0.87 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.31 2yru h GLN 24 CO 0.05 0.00 -0.34 0.00 -0.95 0.00 0.00 178.83 177.59 2yru h ALA 25 N 1.44 0.02 -0.01 3.87 0.00 -0.92 -3.08 119.26 120.58 2yru h ALA 25 Ca 0.49 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2yru h ALA 25 Cb 2.01 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.82 2yru h ALA 25 CO -0.01 0.15 -0.07 1.25 0.00 0.00 0.00 179.25 180.57 2yru h LEU 26 N -0.49 -0.23 -0.99 0.00 5.85 -0.04 0.39 115.31 119.79 2yru h LEU 26 Ca -0.05 0.03 0.37 0.00 0.84 0.00 0.00 57.88 59.07 2yru h LEU 26 Cb 1.12 0.09 -0.18 0.00 0.37 0.00 0.00 40.66 42.07 2yru h LEU 26 CO 0.07 -0.07 0.42 1.05 -0.34 0.00 0.00 178.44 179.56 2yru h GLU 27 N -0.09 0.05 0.19 1.25 -0.00 -1.46 1.68 114.58 116.20 2yru h GLU 27 Ca 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.35 2yru h GLU 27 Cb 0.10 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 28.84 2yru h GLU 27 CO -0.05 0.03 -0.09 0.22 -0.00 0.00 0.00 179.01 179.12 2yru h ASP 28 N 0.05 -0.21 -0.02 3.06 1.82 -1.00 -1.89 116.42 118.23 2yru h ASP 28 Ca 0.77 -0.06 -0.00 0.00 -0.39 0.00 0.00 57.03 57.34 2yru h ASP 28 Cb 1.90 0.05 -0.00 0.00 0.68 0.00 0.00 39.33 41.96 2yru h ASP 28 CO -0.78 -0.07 0.01 0.00 -1.61 0.00 0.00 179.24 176.79 2yru h HIS 30 N -0.11 0.54 -1.28 0.00 -0.00 0.21 1.80 115.15 116.31 2yru h HIS 30 Ca 0.01 0.05 -0.69 0.00 -0.00 0.00 0.00 60.37 59.73 2yru h HIS 30 Cb 0.15 -0.07 -0.30 0.00 -0.00 0.00 0.00 27.41 27.19 2yru h HIS 30 CO -0.03 -0.39 0.77 0.41 -0.00 0.00 0.00 177.93 178.69 2yru n GLY 31 N -1.34 5.82 1.56 5.26 0.00 -0.72 -4.56 105.19 111.20 2yru n GLY 31 Ca 0.31 -2.39 0.00 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.79 -3.08 -2.48 1.61 -0.00 0.49 -4.98 115.22 105.99 2yru n HIS 32 Ca 0.59 0.65 -0.34 0.00 -0.00 0.00 0.00 57.72 58.62 2yru n HIS 32 Cb 0.56 1.86 -0.03 0.00 -0.00 0.00 0.00 29.99 32.39 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 -1.52 3.64 0.12 1.59 2.01 0.49 -4.92 115.64 117.05 2yru s THR 33 Ca 0.00 1.04 -0.35 0.00 0.31 0.00 0.00 61.69 62.69 2yru s THR 33 Cb 0.00 -3.43 -0.17 0.00 0.01 0.00 0.00 72.50 68.91 2yru s THR 33 CO 0.00 -0.20 1.12 0.29 -0.69 0.00 0.00 174.62 175.14 2yru n LYS 34 N -0.97 0.80 -0.15 4.92 5.02 -1.26 -4.58 118.16 121.94 2yru n LYS 34 Ca 0.09 0.29 -0.07 0.00 -2.02 0.00 0.00 58.31 56.60 2yru n LYS 34 Cb 0.52 -1.77 -0.01 0.00 -0.02 0.00 0.00 35.03 33.75 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 3.33 -0.22 -0.89 1.97 1.63 -1.91 -0.56 116.57 119.92 2yru h LYS 35 Ca -0.44 0.01 0.10 0.00 -0.85 0.00 0.00 60.65 59.47 2yru h LYS 35 Cb 1.37 0.05 -0.12 0.00 -0.60 0.00 0.00 32.23 32.92 2yru h LYS 35 CO 0.69 -0.15 -0.52 1.96 -3.45 0.00 0.00 179.45 177.99 2yru h GLN 36 N -0.23 -0.07 0.18 1.90 1.08 -1.99 0.73 115.11 116.72 2yru h GLN 36 Ca 0.19 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.40 2yru h GLN 36 Cb 0.55 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.95 2yru h GLN 36 CO -0.59 -0.04 -0.51 0.28 -0.95 0.00 0.00 178.83 177.01 2yru h VAL 37 N -0.07 0.00 -0.53 -0.54 2.07 -1.50 -1.04 116.25 114.64 2yru h VAL 37 Ca 0.20 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.77 2yru h VAL 37 Cb 0.49 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.17 2yru h VAL 37 CO -0.89 0.00 -0.55 0.00 0.02 0.00 0.00 177.57 176.16 2yru h ASP 39 N -0.29 0.27 0.36 0.00 1.82 0.94 0.71 116.42 120.23 2yru h ASP 39 Ca 0.09 0.18 -0.02 0.00 -0.39 0.00 0.00 57.03 56.89 2yru h ASP 39 Cb 0.53 0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.72 2yru h ASP 39 CO -0.65 -0.28 -0.17 -0.78 -1.61 0.00 0.00 179.24 175.74 2yru h ASP 40 N 0.05 -0.41 -0.01 2.28 3.58 0.28 -2.59 116.42 119.59 2yru h ASP 40 Ca 0.85 -0.12 0.02 0.00 0.42 0.00 0.00 57.03 58.19 2yru h ASP 40 Cb 2.52 0.11 -0.05 0.00 1.72 0.00 0.00 39.33 43.62 2yru h ASP 40 CO -0.55 0.03 -0.45 0.40 -2.88 0.00 0.00 179.24 175.79 2yru h ILE 41 N -1.01 0.00 -0.98 2.25 2.04 0.31 -1.88 117.51 118.25 2yru h ILE 41 Ca -0.05 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.91 2yru h ILE 41 Cb 0.51 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.46 2yru h ILE 41 CO 0.08 0.00 -0.55 -1.54 0.00 0.00 0.00 178.15 176.14 2yru n SER 42 N -4.99 -0.98 -0.31 1.72 3.41 0.17 0.10 113.62 112.76 2yru n SER 42 Ca -0.06 1.74 0.10 0.00 -0.26 0.00 0.00 58.87 60.39 2yru n SER 42 Cb 0.33 -0.25 0.23 0.00 -0.26 0.00 0.00 64.21 64.26 2yru n SER 42 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2yru h ARG 43 N 0.00 0.07 -0.91 4.33 3.08 -0.96 1.09 114.38 121.07 2yru h ARG 43 Ca 0.19 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.25 2yru h ARG 43 Cb 0.43 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.42 2yru h ARG 43 CO -0.93 0.04 0.60 0.00 -1.07 0.00 0.00 179.97 178.61 2yru h ARG 44 N 0.07 1.16 0.61 0.04 2.47 0.15 -2.66 114.38 116.22 2yru h ARG 44 Ca 0.52 -0.07 -0.03 0.00 -1.26 0.00 0.00 59.98 59.14 2yru h ARG 44 Cb 1.00 -0.26 0.01 0.00 -1.65 0.00 0.00 29.97 29.06 2yru h ARG 44 CO -0.80 0.77 -0.29 -0.07 0.56 0.00 0.00 179.97 180.14 2yru h LEU 45 N 1.20 -0.69 -1.00 3.04 3.38 0.26 0.13 115.31 121.62 2yru h LEU 45 Ca 0.35 0.02 0.27 0.00 0.09 0.00 0.00 57.88 58.61 2yru h LEU 45 Cb -0.07 0.18 -0.19 0.00 0.09 0.00 0.00 40.66 40.67 2yru h LEU 45 CO -0.10 -0.49 0.02 0.00 0.09 0.00 0.00 178.44 177.96 2yru h ALA 46 N -0.43 1.17 0.05 1.53 0.00 -0.65 0.91 119.26 121.84 2yru h ALA 46 Ca -0.08 0.35 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 2yru h ALA 46 Cb 0.63 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2yru h ALA 46 CO 0.14 -0.57 -0.02 1.25 0.00 0.00 0.00 179.25 180.04 2yru h LEU 47 N 0.00 -0.06 -0.49 0.00 6.46 -1.12 -0.19 115.31 119.91 2yru h LEU 47 Ca 0.60 -0.33 0.07 0.00 -0.12 0.00 0.00 57.88 58.11 2yru h LEU 47 Cb 1.24 0.02 -0.10 0.00 -0.73 0.00 0.00 40.66 41.09 2yru h LEU 47 CO -0.94 0.30 -0.47 0.25 -0.62 0.00 0.00 178.44 176.96 2yru h LEU 48 N -0.43 -1.58 0.71 2.25 5.85 0.34 0.88 115.31 123.32 2yru h LEU 48 Ca -0.01 0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 2yru h LEU 48 Cb 0.38 0.69 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 2yru h LEU 48 CO 0.01 -0.36 -0.48 -0.09 -0.34 0.00 0.00 178.44 177.18 2yru h ARG 49 N -0.30 -1.08 -0.78 1.25 2.43 -0.33 0.55 114.38 116.12 2yru h ARG 49 Ca 0.14 0.07 0.16 0.00 -0.81 0.00 0.00 59.98 59.54 2yru h ARG 49 Cb 0.58 0.25 -0.15 0.00 -0.42 0.00 0.00 29.97 30.22 2yru h ARG 49 CO -0.64 -0.72 -0.18 0.93 -1.51 0.00 0.00 179.97 177.85 2yru h GLU 50 N -1.12 0.00 -0.52 0.20 5.08 -0.25 1.52 114.58 119.50 2yru h GLU 50 Ca -0.09 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 2yru h GLU 50 Cb 0.92 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 2yru h GLU 50 CO 0.07 0.00 0.01 1.96 -1.00 0.00 0.00 179.01 180.05 2yru h GLN 51 N 0.00 0.86 0.52 2.33 4.20 0.11 1.48 115.11 124.62 2yru h GLN 51 Ca 0.38 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 2yru h GLN 51 Cb 0.58 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.27 2yru h GLN 51 CO -0.79 0.85 -0.25 2.35 -0.67 0.00 0.00 178.83 180.32 2yru h TRP 52 N 0.80 -0.65 0.68 2.96 2.91 0.57 0.17 115.95 123.40 2yru h TRP 52 Ca 0.15 -0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.13 2yru h TRP 52 Cb 0.47 0.22 -0.00 0.00 -0.51 0.00 0.00 29.16 29.33 2yru h TRP 52 CO 0.03 -0.41 -0.42 0.00 -1.03 0.00 0.00 178.44 176.61 2yru h ALA 53 N -1.47 -1.07 -1.18 2.65 0.00 0.18 -1.99 119.26 116.38 2yru h ALA 53 Ca -0.07 -0.21 0.41 0.00 0.00 0.00 0.00 54.91 55.04 2yru h ALA 53 Cb 0.54 0.52 -0.12 0.00 0.00 0.00 0.00 17.79 18.73 2yru h ALA 53 CO 0.12 -1.12 0.76 0.41 0.00 0.00 0.00 179.25 179.43 2yru n GLY 54 N -1.56 -0.72 0.50 0.00 0.00 0.51 -4.72 105.19 99.20 2yru n GLY 54 Ca -0.14 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 1.14 0.05 -0.02 0.00 -0.75 -5.00 105.19 99.17 2yru n GLY 55 Ca 0.34 -0.22 0.03 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.40 0.67 -2.71 1.61 4.76 0.56 -4.94 118.16 117.71 2yru n LYS 56 Ca 0.00 -0.10 -0.35 0.00 -2.87 0.00 0.00 58.31 55.00 2yru n LYS 56 Cb 0.15 -1.55 -0.06 0.00 -1.84 0.00 0.00 35.03 31.73 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 -4.95 4.03 0.71 -0.35 1.43 -1.07 -5.03 118.68 113.45 2yru s LEU 57 Ca -0.08 1.82 -0.11 0.00 -1.03 0.00 0.00 54.13 54.73 2yru s LEU 57 Cb 0.11 -4.39 0.02 0.00 0.03 0.00 0.00 46.19 41.96 2yru s LEU 57 CO 0.87 -0.41 1.08 -0.44 0.23 0.00 0.00 176.35 177.69 2yru s SER 58 N -1.93 5.36 0.12 2.29 0.01 -1.26 -4.94 113.70 113.34 2yru s SER 58 Ca 0.60 1.29 -0.17 0.00 1.31 0.00 0.00 55.95 58.98 2yru s SER 58 Cb -0.14 -2.13 -0.03 0.00 0.21 0.00 0.00 66.02 63.93 2yru s SER 58 CO 0.19 -1.42 1.63 0.40 0.41 0.00 0.00 173.24 174.45 2yru h ILE 59 N -0.70 1.21 0.00 1.44 2.04 -2.00 -1.60 117.51 117.89 2yru h ILE 59 Ca -0.45 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 64.70 2yru h ILE 59 Cb 1.24 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.34 2yru h ILE 59 CO 0.61 0.24 0.00 -0.81 0.00 0.00 0.00 178.15 178.20 2yru n PRO 60 N -4.63 0.56 0.02 2.37 -0.04 -1.26 -2.28 135.00 129.73 2yru n PRO 60 Ca -0.01 0.03 -0.03 0.00 -0.04 0.00 0.00 63.50 63.45 2yru n PRO 60 Cb 0.18 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.04 2yru n PRO 60 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2yru h VAL 61 N 0.00 0.65 0.14 0.52 2.07 -1.67 -3.08 116.25 114.88 2yru h VAL 61 Ca 0.00 -2.27 -0.31 0.00 0.82 0.00 0.00 66.70 64.94 2yru h VAL 61 Cb 0.10 2.19 -0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2yru h VAL 61 CO 0.00 0.37 -1.59 0.11 0.02 0.00 0.00 177.57 176.48 2yru h LYS 62 N 0.00 0.29 -0.59 1.57 1.57 -1.12 -2.71 116.57 115.60 2yru h LYS 62 Ca -0.20 -0.50 -0.01 0.00 -1.87 0.00 0.00 60.65 58.07 2yru h LYS 62 Cb 1.73 0.19 -0.03 0.00 0.08 0.00 0.00 32.23 34.20 2yru h LYS 62 CO 0.06 1.24 0.31 0.87 -0.57 0.00 0.00 179.45 181.36 2yru h LYS 63 N -0.14 0.81 -0.14 3.15 6.56 -1.61 -1.91 116.57 123.29 2yru h LYS 63 Ca -0.33 -0.09 -0.12 0.00 -1.06 0.00 0.00 60.65 59.05 2yru h LYS 63 Cb 1.89 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 33.39 2yru h LYS 63 CO 0.10 0.61 -0.37 0.00 -2.06 0.00 0.00 179.45 177.72 2yru h ARG 64 N 0.82 0.49 0.15 3.15 3.08 -1.65 -3.27 114.38 117.15 2yru h ARG 64 Ca 0.21 -0.35 0.01 0.00 0.07 0.00 0.00 59.98 59.92 2yru h ARG 64 Cb 0.04 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 2yru h ARG 64 CO -0.03 0.96 -0.45 0.52 -1.07 0.00 0.00 179.97 179.90 2yru h MET 65 N 0.10 -0.65 -0.91 0.04 2.86 -1.09 -0.79 114.93 114.50 2yru h MET 65 Ca -0.01 0.04 0.33 0.00 -2.06 0.00 0.00 59.70 58.01 2yru h MET 65 Cb 0.99 0.15 -0.17 0.00 0.06 0.00 0.00 31.60 32.63 2yru h MET 65 CO 0.08 -0.43 0.31 0.00 1.06 0.00 0.00 176.91 177.93 2yru n ALA 66 N -2.84 0.76 0.03 6.32 0.00 -0.76 0.31 120.51 124.33 2yru n ALA 66 Ca -0.08 0.94 -0.07 0.00 0.00 0.00 0.00 53.44 54.24 2yru n ALA 66 Cb 0.36 -0.85 -0.04 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.72 -0.73 0.00 3.38 -1.19 1.46 115.31 117.50 2yru h LEU 67 Ca 0.69 0.08 0.16 0.00 0.09 0.00 0.00 57.88 58.90 2yru h LEU 67 Cb 1.70 0.27 -0.12 0.00 0.09 0.00 0.00 40.66 42.61 2yru h LEU 67 CO -0.76 -0.24 0.12 0.25 0.09 0.00 0.00 178.44 177.91 2yru h LEU 68 N -0.31 -0.10 0.63 1.67 6.46 0.01 -0.15 115.31 123.51 2yru h LEU 68 Ca 0.00 0.16 -0.02 0.00 -0.12 0.00 0.00 57.88 57.90 2yru h LEU 68 Cb 0.33 0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.48 2yru h LEU 68 CO -0.15 -0.09 -0.47 0.58 -0.62 0.00 0.00 178.44 177.70 2yru h VAL 69 N 0.21 0.06 -0.94 1.05 2.07 -0.02 0.64 116.25 119.32 2yru h VAL 69 Ca 0.41 0.00 0.29 0.00 0.82 0.00 0.00 66.70 68.22 2yru h VAL 69 Cb 0.72 0.06 -0.16 0.00 -1.52 0.00 0.00 31.29 30.39 2yru h VAL 69 CO -0.55 0.00 0.30 1.56 0.02 0.00 0.00 177.57 178.90 2yru h GLN 70 N -1.06 0.15 0.45 1.57 1.08 0.34 0.22 115.11 117.85 2yru h GLN 70 Ca -0.08 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.09 2yru h GLN 70 Cb 0.89 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.29 2yru h GLN 70 CO 0.02 0.10 -0.21 0.93 -0.95 0.00 0.00 178.83 178.72 2yru h GLU 71 N 0.15 -0.58 -1.10 1.46 4.39 -0.36 -2.35 114.58 116.19 2yru h GLU 71 Ca 0.64 0.04 0.32 0.00 0.34 0.00 0.00 59.36 60.70 2yru h GLU 71 Cb 1.43 0.13 -0.11 0.00 -0.10 0.00 0.00 28.75 30.09 2yru h GLU 71 CO -0.72 -0.30 0.69 1.25 -1.16 0.00 0.00 179.01 178.78 2yru h LEU 72 N -0.78 0.42 -0.17 1.33 6.46 0.17 0.88 115.31 123.61 2yru h LEU 72 Ca -0.06 0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.81 2yru h LEU 72 Cb 0.54 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.53 2yru h LEU 72 CO 0.10 -0.02 0.08 -0.07 -0.62 0.00 0.00 178.44 177.91 2yru h LEU 73 N 0.31 0.22 0.00 2.25 3.38 -0.62 -0.76 115.31 120.09 2yru h LEU 73 Ca 0.68 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.52 2yru h LEU 73 Cb 1.80 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.49 2yru h LEU 73 CO -0.40 0.29 0.00 1.41 0.09 0.00 0.00 178.44 179.84 2yru n HIS 74 N -4.88 0.00 -0.70 1.13 8.25 0.26 -4.82 115.22 114.46 2yru n HIS 74 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 2yru n HIS 74 Cb 0.10 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 -1.10 0.00 -1.01 4.41 8.25 0.13 -4.92 115.22 120.99 2yru n HIS 75 Ca 0.16 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.20 2yru n HIS 75 Cb 0.12 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.16 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 1.05 -0.22 -0.41 1.13 0.52 -4.57 117.38 112.88 2yru n GLN 76 Ca 0.00 -1.63 -0.08 0.00 -1.94 0.00 0.00 57.00 53.36 2yru n GLN 76 Cb 0.00 -2.85 0.03 0.00 0.11 0.00 0.00 30.24 27.53 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 8.66 0.95 -0.92 1.08 4.06 -1.90 -0.22 115.95 127.66 2yru h TRP 77 Ca 0.36 -0.09 0.18 0.00 2.06 0.00 0.00 58.89 61.40 2yru h TRP 77 Cb 0.70 -0.28 -0.10 0.00 -1.00 0.00 0.00 29.16 28.47 2yru h TRP 77 CO 1.17 0.78 0.51 -0.44 -3.56 0.00 0.00 178.44 176.89 2yru h ASP 78 N 0.86 0.61 0.06 -3.49 3.32 -1.97 0.13 116.42 115.93 2yru h ASP 78 Ca 0.20 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.35 2yru h ASP 78 Cb 0.25 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.81 2yru h ASP 78 CO -0.01 0.20 -0.03 0.00 -1.72 0.00 0.00 179.24 177.69 2yru h ALA 79 N 1.62 -0.07 -0.71 3.45 0.00 -1.75 -2.43 119.26 119.37 2yru h ALA 79 Ca 0.53 -0.25 0.13 0.00 0.00 0.00 0.00 54.91 55.32 2yru h ALA 79 Cb 0.83 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.52 2yru h ALA 79 CO -0.40 -0.27 -0.31 0.00 0.00 0.00 0.00 179.25 178.27 2yru h ALA 80 N 0.28 0.14 0.39 0.00 0.00 0.37 0.79 119.26 121.22 2yru h ALA 80 Ca -0.01 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2yru h ALA 80 Cb 0.53 0.77 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 2yru h ALA 80 CO 0.01 -0.59 -0.47 0.22 0.00 0.00 0.00 179.25 178.42 2yru h ASP 81 N -0.09 -1.32 -0.90 0.00 1.82 -0.82 0.93 116.42 116.04 2yru h ASP 81 Ca 0.29 0.12 0.08 0.00 -0.39 0.00 0.00 57.03 57.13 2yru h ASP 81 Cb 0.56 0.45 -0.11 0.00 0.68 0.00 0.00 39.33 40.92 2yru h ASP 81 CO -0.77 -0.61 -0.53 -0.67 -1.61 0.00 0.00 179.24 175.06 2yru n ASP 82 N -5.53 -0.95 0.18 2.28 -0.08 -0.04 0.13 116.55 112.54 2yru n ASP 82 Ca -0.11 1.69 -0.14 0.00 -1.51 0.00 0.00 54.79 54.72 2yru n ASP 82 Cb 0.43 -0.25 -0.07 0.00 2.34 0.00 0.00 41.12 43.57 2yru n ASP 82 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2yru h ILE 83 N 0.00 0.47 -0.83 5.18 2.04 -0.59 -1.35 117.51 122.43 2yru h ILE 83 Ca 0.14 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.17 2yru h ILE 83 Cb 0.37 0.47 -0.16 0.00 -0.74 0.00 0.00 36.82 36.77 2yru h ILE 83 CO -0.84 0.00 -0.18 -0.74 0.00 0.00 0.00 178.15 176.38 2yru h HIS 84 N -0.54 -0.39 -0.30 1.37 -0.00 0.37 0.53 115.15 116.18 2yru h HIS 84 Ca -0.01 0.07 0.04 0.00 -0.00 0.00 0.00 60.37 60.47 2yru h HIS 84 Cb 0.49 0.30 -0.04 0.00 -0.00 0.00 0.00 27.41 28.17 2yru h HIS 84 CO -0.16 -0.35 0.07 0.00 -0.00 0.00 0.00 177.93 177.49 2yru h ARG 85 N 0.01 0.18 -1.01 5.26 2.47 0.17 0.22 114.38 121.68 2yru h ARG 85 Ca 0.41 -0.01 0.14 0.00 -1.26 0.00 0.00 59.98 59.26 2yru h ARG 85 Cb 0.64 -0.04 -0.09 0.00 -1.65 0.00 0.00 29.97 28.83 2yru h ARG 85 CO -0.84 0.12 0.63 0.77 0.56 0.00 0.00 179.97 181.20 2yru h SER 86 N 0.18 0.89 0.39 7.04 0.02 0.11 1.69 113.55 123.87 2yru h SER 86 Ca 0.14 0.06 -0.14 0.00 -0.84 0.00 0.00 61.79 61.01 2yru h SER 86 Cb 0.14 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2yru h SER 86 CO -0.18 0.43 -0.59 -0.07 -1.14 0.00 0.00 176.83 175.29 2yru h LEU 87 N 0.93 0.22 -0.08 5.07 3.38 0.28 -2.57 115.31 122.55 2yru h LEU 87 Ca 0.52 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.37 2yru h LEU 87 Cb 0.61 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2yru h LEU 87 CO -0.30 0.76 -0.28 0.80 0.09 0.00 0.00 178.44 179.51 2yru n MET 88 N -3.88 0.18 -0.07 1.13 1.56 0.10 -1.68 117.12 114.46 2yru n MET 88 Ca -0.02 -0.08 -0.14 0.00 -0.27 0.00 0.00 57.70 57.19 2yru n MET 88 Cb 0.60 -1.50 -0.12 0.00 2.15 0.00 0.00 33.22 34.35 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 0.19 1.60 0.00 1.12 2.07 0.27 -3.36 116.25 118.15 2yru h VAL 89 Ca 0.00 -2.26 0.00 0.00 0.82 0.00 0.00 66.70 65.26 2yru h VAL 89 Cb 0.48 3.08 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 2yru h VAL 89 CO 0.00 0.54 -0.01 -0.67 0.02 0.00 0.00 177.57 177.45 2yru n ASP 90 N -4.60 0.03 -3.30 0.57 -0.08 -1.06 -4.55 116.55 103.55 2yru n ASP 90 Ca -0.12 0.12 -0.31 0.00 -1.51 0.00 0.00 54.79 52.97 2yru n ASP 90 Cb 0.48 -0.50 -0.02 0.00 2.34 0.00 0.00 41.12 43.41 2yru n ASP 90 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 2yru n HIS 91 N -2.41 1.96 0.60 -0.67 -0.00 -0.68 -4.31 115.22 109.70 2yru n HIS 91 Ca -0.00 -2.45 0.12 0.00 -0.00 0.00 0.00 57.72 55.39 2yru n HIS 91 Cb 0.01 -2.05 0.22 0.00 -0.00 0.00 0.00 29.99 28.17 2yru n HIS 91 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.34 177.89 2yru n VAL 92 N 4.17 0.39 0.97 1.59 3.14 -1.21 -1.83 118.33 125.54 2yru n VAL 92 Ca 0.58 -0.27 0.11 0.00 -2.96 0.00 0.00 64.34 61.80 2yru n VAL 92 Cb 0.21 -0.21 -0.03 0.00 -1.06 0.00 0.00 33.84 32.75 2yru n VAL 92 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2yru n THR 93 N -2.12 0.01 -0.04 1.55 -2.24 -1.26 -3.58 114.28 106.59 2yru n THR 93 Ca 0.04 -0.02 -0.05 0.00 -2.27 0.00 0.00 64.05 61.75 2yru n THR 93 Cb 0.43 0.77 -0.02 0.00 -2.10 0.00 0.00 70.33 69.42 2yru n THR 93 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2yru n GLU 94 N -1.53 0.31 -0.13 -0.78 -0.58 -1.22 -4.56 120.64 112.15 2yru n GLU 94 Ca 0.04 0.12 0.14 0.00 -0.42 0.00 0.00 57.16 57.04 2yru n GLU 94 Cb 0.34 -1.01 0.50 0.00 -0.57 0.00 0.00 31.44 30.70 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 -0.58 0.84 -2.60 2.62 -1.51 -1.61 -3.43 116.25 109.99 2yru h VAL 95 Ca 0.00 -0.14 -0.44 0.00 -1.23 0.00 0.00 66.70 64.89 2yru h VAL 95 Cb 0.58 0.39 0.23 0.00 -2.13 0.00 0.00 31.29 30.36 2yru h VAL 95 CO 0.00 0.08 -0.68 -1.54 -1.23 0.00 0.00 177.57 174.20 2yru n SER 96 N -4.47 -2.24 0.00 4.19 3.41 -1.23 0.18 113.62 113.45 2yru n SER 96 Ca 0.12 -0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 2yru n SER 96 Cb 0.46 -1.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 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 -3.27 0.00 0.00 4.33 6.02 -1.26 -4.20 117.38 118.99 2yru n GLN 97 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2yru n GLN 97 Cb 0.59 -2.98 0.00 0.00 1.02 0.00 0.00 30.24 28.87 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 -2.00 -1.56 -0.31 1.08 4.27 -1.16 -4.79 117.44 112.97 2yru n TRP 98 Ca 0.00 0.00 0.17 0.00 -3.89 0.00 0.00 57.50 53.78 2yru n TRP 98 Cb 0.00 0.31 0.33 0.00 -1.36 0.00 0.00 31.31 30.59 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 -2.12 -0.07 -0.29 -2.67 1.56 0.47 0.20 117.12 114.19 2yru n MET 99 Ca 0.00 1.35 0.12 0.00 -0.27 0.00 0.00 57.70 58.90 2yru n MET 99 Cb 0.00 -2.21 0.26 0.00 2.15 0.00 0.00 33.22 33.43 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 0.29 0.54 1.12 -1.51 -1.92 0.20 116.25 114.98 2yru h VAL 100 Ca 0.61 -0.06 -0.02 0.00 -1.23 0.00 0.00 66.70 66.00 2yru h VAL 100 Cb 1.36 0.11 -0.01 0.00 -2.13 0.00 0.00 31.29 30.62 2yru h VAL 100 CO -0.83 0.03 -0.37 1.23 -1.23 0.00 0.00 177.57 176.40 2yru h GLY 101 N 0.17 -0.96 0.04 5.19 0.00 0.18 -2.21 103.07 105.48 2yru h GLY 101 Ca 0.53 0.41 0.12 0.00 0.00 0.00 0.00 47.33 48.39 2yru h GLY 101 CO -0.68 -0.34 0.06 -2.08 0.00 0.00 0.00 176.54 173.49 2yru h VAL 102 N -0.88 0.55 -0.74 4.60 2.07 -0.84 0.37 116.25 121.38 2yru h VAL 102 Ca -0.06 -0.06 0.17 0.00 0.82 0.00 0.00 66.70 67.57 2yru h VAL 102 Cb 0.73 0.37 -0.13 0.00 -1.52 0.00 0.00 31.29 30.74 2yru h VAL 102 CO 0.04 0.03 0.03 0.50 0.02 0.00 0.00 177.57 178.19 2yru h LYS 103 N 0.17 0.12 -0.04 1.57 3.64 -0.34 0.28 116.57 121.97 2yru h LYS 103 Ca 0.32 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.68 2yru h LYS 103 Cb 0.51 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2yru h LYS 103 CO -0.47 0.08 -0.03 -0.09 -2.27 0.00 0.00 179.45 176.67 2yru h ARG 104 N 0.12 0.10 -0.93 1.90 9.65 -0.11 -3.21 114.38 121.90 2yru h ARG 104 Ca 0.41 -0.05 0.13 0.00 -1.10 0.00 0.00 59.98 59.37 2yru h ARG 104 Cb 0.72 -0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 29.15 2yru h ARG 104 CO -0.63 0.52 -0.44 1.25 2.80 0.00 0.00 179.97 183.46 2yru h LEU 105 N -0.32 -1.61 -0.26 3.80 5.85 0.15 0.72 115.31 123.64 2yru h LEU 105 Ca 0.01 0.30 0.03 0.00 0.84 0.00 0.00 57.88 59.06 2yru h LEU 105 Cb 0.49 0.79 -0.04 0.00 0.37 0.00 0.00 40.66 42.27 2yru h LEU 105 CO 0.01 -0.28 -0.24 0.40 -0.34 0.00 0.00 178.44 177.98 2yru h ILE 106 N -0.04 0.00 -0.80 4.05 2.04 -1.08 0.90 117.51 122.58 2yru h ILE 106 Ca 0.28 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.23 2yru h ILE 106 Cb 0.55 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.51 2yru h ILE 106 CO -0.93 0.00 -0.52 0.00 0.00 0.00 0.00 178.15 176.70 2yru h ALA 107 N -0.63 -0.45 0.03 1.87 0.00 -0.97 0.64 119.26 119.76 2yru h ALA 107 Ca 0.04 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.08 2yru h ALA 107 Cb 0.23 1.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 2yru h ALA 107 CO -0.30 -0.91 -0.29 0.93 0.00 0.00 0.00 179.25 178.68 2yru h GLU 108 N -0.12 -0.38 -0.85 0.00 4.39 0.55 0.54 114.58 118.71 2yru h GLU 108 Ca 0.17 0.03 0.17 0.00 0.34 0.00 0.00 59.36 60.07 2yru h GLU 108 Cb 0.51 0.09 -0.16 0.00 -0.10 0.00 0.00 28.75 29.08 2yru h GLU 108 CO -0.83 -0.25 -0.23 0.87 -1.16 0.00 0.00 179.01 177.41 2yru h LYS 109 N -0.39 -0.01 0.37 2.33 1.79 0.19 0.23 116.57 121.08 2yru h LYS 109 Ca 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2yru h LYS 109 Cb 0.41 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.05 2yru h LYS 109 CO -0.18 -0.01 -0.33 -0.22 -1.08 0.00 0.00 179.45 177.64 2yru h LYS 110 N -0.01 -0.67 -0.98 3.15 3.64 0.12 -2.29 116.57 119.54 2yru h LYS 110 Ca 0.40 0.05 0.16 0.00 -1.27 0.00 0.00 60.65 59.98 2yru h LYS 110 Cb 0.62 0.15 -0.17 0.00 -0.41 0.00 0.00 32.23 32.42 2yru h LYS 110 CO -0.87 -0.44 -0.35 0.77 -2.27 0.00 0.00 179.45 176.28 2yru h SER 111 N -0.69 -1.30 -0.61 4.20 0.02 0.20 0.26 113.55 115.63 2yru h SER 111 Ca -0.05 0.30 0.06 0.00 -0.84 0.00 0.00 61.79 61.27 2yru h SER 111 Cb 0.59 0.71 -0.09 0.00 0.14 0.00 0.00 62.40 63.75 2yru h SER 111 CO -0.02 -0.30 -0.56 -0.07 -1.14 0.00 0.00 176.83 174.75 2yru h LEU 112 N -0.01 -1.93 -0.84 5.07 3.38 -0.26 0.29 115.31 121.01 2yru h LEU 112 Ca 0.37 0.27 0.11 0.00 0.09 0.00 0.00 57.88 58.72 2yru h LEU 112 Cb 0.62 0.82 -0.13 0.00 0.09 0.00 0.00 40.66 42.06 2yru h LEU 112 CO -0.98 -0.33 -0.47 -1.28 0.09 0.00 0.00 178.44 175.47 2yru h SER 113 N -0.25 -1.69 0.00 -0.43 0.87 0.07 -3.46 113.55 108.66 2yru h SER 113 Ca 0.10 0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 2yru h SER 113 Cb 0.52 0.79 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 2yru h SER 113 CO -0.70 -0.29 0.00 0.61 -0.53 0.00 0.00 176.83 175.91 2yru n GLY 114 N -1.38 1.30 3.77 5.77 0.00 0.09 -5.13 105.19 109.61 2yru n GLY 114 Ca 0.04 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.03 -0.06 -0.31 1.61 0.04 -1.26 -5.06 135.00 129.93 2yru s PRO 115 Ca 0.00 -0.16 -0.12 0.00 0.04 0.00 0.00 61.00 60.75 2yru s PRO 115 Cb 0.00 -1.74 0.19 0.00 0.04 0.00 0.00 34.50 32.99 2yru s PRO 115 CO 0.00 -2.92 1.11 -1.12 0.04 0.00 0.00 177.00 174.11 2yru s SER 116 N -4.35 -0.18 -0.32 6.66 0.01 -1.26 -5.12 113.70 109.14 2yru s SER 116 Ca 0.71 -0.05 -0.05 0.00 1.31 0.00 0.00 55.95 57.87 2yru s SER 116 Cb -0.08 0.51 0.19 0.00 0.21 0.00 0.00 66.02 66.85 2yru s SER 116 CO 0.54 -0.02 0.90 -0.44 0.41 0.00 0.00 173.24 174.63 2yru s SER 117 N 2.30 -0.79 0.00 2.44 0.01 -1.26 -5.33 113.70 111.07 2yru s SER 117 Ca 0.20 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.37 2yru s SER 117 Cb 0.03 1.31 0.00 0.00 0.21 0.00 0.00 66.02 67.57 2yru s SER 117 CO -0.18 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 173.96