#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 -0.16 0.20 1.61 0.01 -1.26 -4.82 113.70 109.28 2yru s SER 2 Ca 0.00 -0.04 -0.24 0.00 1.31 0.00 0.00 55.95 56.99 2yru s SER 2 Cb 0.00 0.56 0.05 0.00 0.21 0.00 0.00 66.02 66.83 2yru s SER 2 CO 0.00 -0.02 0.87 -0.94 0.41 0.00 0.00 173.24 173.55 2yru s SER 3 N 2.38 -0.21 -0.06 2.44 1.04 -1.26 -5.16 113.70 112.87 2yru s SER 3 Ca 0.21 -0.47 -0.03 0.00 0.48 0.00 0.00 55.95 56.14 2yru s SER 3 Cb 0.02 0.58 0.04 0.00 0.10 0.00 0.00 66.02 66.76 2yru s SER 3 CO -0.19 -1.07 0.09 -0.83 0.98 0.00 0.00 173.24 172.23 2yru s GLY 4 N -2.93 0.18 -0.23 7.32 0.00 -1.26 -4.98 107.32 105.42 2yru s GLY 4 Ca 0.12 0.25 -0.14 0.00 0.00 0.00 0.00 44.72 44.94 2yru s GLY 4 CO 0.04 1.49 0.56 -0.45 0.00 0.00 0.00 173.10 174.74 2yru s SER 5 N 2.20 -0.72 -0.11 1.64 0.15 -1.26 -5.16 113.70 110.45 2yru s SER 5 Ca 0.04 1.21 -0.08 0.00 0.70 0.00 0.00 55.95 57.82 2yru s SER 5 Cb -0.12 1.11 -0.04 0.00 -1.71 0.00 0.00 66.02 65.25 2yru s SER 5 CO -0.04 -0.21 0.17 -0.44 1.20 0.00 0.00 173.24 173.92 2yru s SER 6 N 1.30 6.44 0.00 5.45 0.01 -1.26 -4.76 113.70 120.88 2yru s SER 6 Ca -0.08 0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.70 2yru s SER 6 Cb -0.06 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 64.07 2yru s SER 6 CO -0.13 0.39 0.00 0.61 0.41 0.00 0.00 173.24 174.52 2yru n GLY 7 N 2.01 -0.74 2.81 3.44 0.00 -1.26 -5.01 105.19 106.44 2yru n GLY 7 Ca -0.19 0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2yru n GLY 7 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2yru n VAL 8 N 0.00 4.79 -0.98 1.61 0.31 -1.26 -4.99 118.33 117.82 2yru n VAL 8 Ca 0.00 -4.76 -0.30 0.00 -0.01 0.00 0.00 64.34 59.27 2yru n VAL 8 Cb 0.00 -2.21 0.25 0.00 -0.91 0.00 0.00 33.84 30.97 2yru n VAL 8 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 2yru s ILE 9 N -0.76 1.54 0.25 2.52 2.07 -1.26 -4.78 121.20 120.78 2yru s ILE 9 Ca 0.40 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.64 2yru s ILE 9 Cb 0.11 -2.43 0.00 0.00 0.13 0.00 0.00 42.46 40.27 2yru s ILE 9 CO 0.00 0.00 0.00 -0.62 -1.91 0.00 0.00 174.94 172.41 2yru n GLU 10 N -4.90 -5.29 -2.56 3.50 1.02 -1.26 -4.82 120.64 106.34 2yru n GLU 10 Ca 0.13 3.78 -0.09 0.00 -0.02 0.00 0.00 57.16 60.97 2yru n GLU 10 Cb 0.60 -4.08 0.04 0.00 -0.02 0.00 0.00 31.44 27.98 2yru n GLU 10 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2yru n SER 11 N 1.41 -3.90 -3.15 1.62 2.88 -1.26 -5.04 113.62 106.18 2yru n SER 11 Ca 0.00 -0.38 0.06 0.00 -1.33 0.00 0.00 58.87 57.22 2yru n SER 11 Cb 0.00 -3.10 -0.01 0.00 -0.75 0.00 0.00 64.21 60.35 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 -4.03 0.10 -0.04 -1.46 2.12 -1.26 -5.16 118.70 108.96 2yru s GLU 12 Ca 0.19 0.15 0.06 0.00 0.36 0.00 0.00 54.97 55.72 2yru s GLU 12 Cb -0.02 0.08 -0.01 0.00 0.26 0.00 0.00 34.13 34.43 2yru s GLU 12 CO 0.41 -0.13 -0.22 0.99 -0.54 0.00 0.00 175.26 175.76 2yru s THR 13 N 2.97 1.80 0.04 -1.70 2.01 -1.26 -5.05 115.64 114.45 2yru s THR 13 Ca 0.07 -0.94 -0.01 0.00 0.31 0.00 0.00 61.69 61.12 2yru s THR 13 Cb -0.06 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.89 2yru s THR 13 CO -0.14 0.51 0.20 -0.76 -0.69 0.00 0.00 174.62 173.74 2yru s LEU 14 N -0.18 4.36 0.14 4.42 1.43 -1.26 -5.01 118.68 122.59 2yru s LEU 14 Ca -0.01 0.30 -0.17 0.00 -1.03 0.00 0.00 54.13 53.22 2yru s LEU 14 Cb -0.12 -2.84 -0.00 0.00 0.03 0.00 0.00 46.19 43.26 2yru s LEU 14 CO 0.02 0.20 1.79 -0.29 0.23 0.00 0.00 176.35 178.30 2yru h ILE 15 N 2.35 1.11 0.00 -0.59 2.10 -1.95 -0.24 117.51 120.29 2yru h ILE 15 Ca -0.46 -0.23 0.00 0.00 1.08 0.00 0.00 64.86 65.24 2yru h ILE 15 Cb 1.17 0.61 0.00 0.00 -1.09 0.00 0.00 36.82 37.51 2yru h ILE 15 CO 0.73 0.11 0.00 -0.33 -1.08 0.00 0.00 178.15 177.58 2yru h GLU 16 N 0.49 0.00 0.00 2.19 5.08 -1.95 0.36 114.58 120.75 2yru h GLU 16 Ca 0.13 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.30 2yru h GLU 16 Cb -0.02 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 2yru h GLU 16 CO -0.03 0.00 -0.90 -0.44 -1.00 0.00 0.00 179.01 176.64 2yru h ASP 17 N 0.00 0.00 0.62 1.42 5.19 -1.49 0.39 116.42 122.54 2yru h ASP 17 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2yru h ASP 17 Cb 0.36 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.87 2yru h ASP 17 CO 0.00 0.90 -1.25 0.52 -3.12 0.00 0.00 179.24 176.29 2yru n VAL 18 N -3.39 0.36 -0.02 -1.35 0.31 -0.43 -3.99 118.33 109.81 2yru n VAL 18 Ca 0.00 -0.46 -0.06 0.00 -0.01 0.00 0.00 64.34 63.81 2yru n VAL 18 Cb 0.88 -0.12 -0.13 0.00 -0.91 0.00 0.00 33.84 33.55 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 -2.39 0.64 -0.10 7.52 7.99 0.11 -3.24 117.00 127.53 2yru n LEU 19 Ca -0.00 0.30 -0.06 0.00 -0.01 0.00 0.00 56.01 56.23 2yru n LEU 19 Cb 0.53 0.21 0.01 0.00 -0.11 0.00 0.00 43.42 44.05 2yru n LEU 19 CO 0.41 0.33 0.74 0.03 -1.51 0.00 0.00 177.39 177.40 2yru h ARG 20 N 0.00 -0.10 0.00 3.23 -0.00 -0.34 0.55 114.38 117.72 2yru h ARG 20 Ca -0.30 0.01 -0.00 0.00 -0.50 0.00 0.00 59.98 59.19 2yru h ARG 20 Cb 1.90 0.02 0.00 0.00 0.00 0.00 0.00 29.97 31.90 2yru h ARG 20 CO 0.06 -0.06 -0.00 -1.00 0.00 0.00 0.00 179.97 178.96 2yru h PRO 21 N -0.10 -0.00 -0.93 0.04 0.13 -1.73 -0.91 132.00 128.50 2yru h PRO 21 Ca 0.18 0.00 0.23 0.00 -0.87 0.00 0.00 66.00 65.54 2yru h PRO 21 Cb 0.38 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.38 2yru h PRO 21 CO -0.43 0.75 0.44 -0.07 -0.23 0.00 0.00 178.00 178.46 2yru h LEU 22 N -0.75 0.40 -0.08 1.56 3.38 -1.48 0.33 115.31 118.67 2yru h LEU 22 Ca -0.00 0.16 -0.17 0.00 0.09 0.00 0.00 57.88 57.95 2yru h LEU 22 Cb 0.75 0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.63 2yru h LEU 22 CO 0.00 0.00 -0.63 -0.33 0.09 0.00 0.00 178.44 177.57 2yru h GLU 23 N 0.42 0.56 -0.81 1.13 5.08 0.06 -2.86 114.58 118.17 2yru h GLU 23 Ca 0.59 -0.50 0.12 0.00 -1.00 0.00 0.00 59.36 58.57 2yru h GLU 23 Cb 1.15 0.12 -0.08 0.00 0.50 0.00 0.00 28.75 30.43 2yru h GLU 23 CO -0.53 1.13 0.42 1.96 -1.00 0.00 0.00 179.01 180.98 2yru h GLN 24 N 0.17 0.62 0.35 2.33 1.08 0.88 -1.53 115.11 119.02 2yru h GLN 24 Ca -0.06 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.09 2yru h GLN 24 Cb 1.29 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 2yru h GLN 24 CO 0.13 0.41 -0.17 0.00 -0.95 0.00 0.00 178.83 178.25 2yru h ALA 25 N 1.51 -0.47 -0.87 3.87 0.00 -0.53 -2.92 119.26 119.85 2yru h ALA 25 Ca 0.42 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.34 2yru h ALA 25 Cb 0.53 0.18 -0.15 0.00 0.00 0.00 0.00 17.79 18.36 2yru h ALA 25 CO -0.32 -0.71 -0.36 1.25 0.00 0.00 0.00 179.25 179.10 2yru h LEU 26 N -0.58 -1.32 -0.94 0.00 5.85 -1.08 0.99 115.31 118.24 2yru h LEU 26 Ca -0.05 0.28 0.28 0.00 0.84 0.00 0.00 57.88 59.23 2yru h LEU 26 Cb 0.43 0.69 -0.16 0.00 0.37 0.00 0.00 40.66 41.99 2yru h LEU 26 CO 0.08 -0.29 0.24 -0.33 -0.34 0.00 0.00 178.44 177.79 2yru h GLU 27 N -0.05 0.12 0.28 1.25 5.08 -1.14 1.57 114.58 121.69 2yru h GLU 27 Ca 0.32 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 2yru h GLU 27 Cb 0.59 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2yru h GLU 27 CO -0.89 0.08 -0.13 -0.44 -1.00 0.00 0.00 179.01 176.62 2yru h ASP 28 N 0.12 -0.31 -0.70 1.42 3.32 0.10 -2.80 116.42 117.58 2yru h ASP 28 Ca 0.62 -0.12 0.07 0.00 0.02 0.00 0.00 57.03 57.63 2yru h ASP 28 Cb 1.35 0.08 -0.06 0.00 0.22 0.00 0.00 39.33 40.92 2yru h ASP 28 CO -0.75 -0.07 0.38 0.00 -1.72 0.00 0.00 179.24 177.08 2yru h HIS 30 N 0.67 -1.45 -1.09 0.00 6.17 0.23 1.55 115.15 121.24 2yru h HIS 30 Ca 0.32 0.10 -0.51 0.00 0.71 0.00 0.00 60.37 60.99 2yru h HIS 30 Cb 0.26 0.73 -0.18 0.00 2.52 0.00 0.00 27.41 30.73 2yru h HIS 30 CO -0.09 -0.29 0.44 0.41 0.71 0.00 0.00 177.93 179.12 2yru n GLY 31 N -1.19 4.42 1.60 5.26 0.00 -0.93 -4.34 105.19 110.01 2yru n GLY 31 Ca 0.01 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.16 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 0.73 -2.00 -1.75 1.61 -0.00 0.13 -5.00 115.22 108.94 2yru n HIS 32 Ca 0.48 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.88 2yru n HIS 32 Cb 0.53 0.40 0.04 0.00 -0.00 0.00 0.00 29.99 30.97 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 -0.96 3.42 1.02 1.59 2.01 0.49 -4.98 115.64 118.23 2yru s THR 33 Ca 0.00 0.63 -0.19 0.00 0.31 0.00 0.00 61.69 62.44 2yru s THR 33 Cb 0.00 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 2yru s THR 33 CO 0.00 -0.44 -0.42 0.29 -0.69 0.00 0.00 174.62 173.36 2yru n LYS 34 N -2.50 -0.50 0.14 4.92 5.02 -1.26 -4.66 118.16 119.33 2yru n LYS 34 Ca 0.10 -0.13 -0.09 0.00 -2.02 0.00 0.00 58.31 56.16 2yru n LYS 34 Cb 0.52 -1.42 -0.05 0.00 -0.02 0.00 0.00 35.03 34.06 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 -1.44 -0.42 -0.76 1.97 1.63 -1.93 -2.58 116.57 113.04 2yru h LYS 35 Ca -0.45 0.03 0.08 0.00 -0.85 0.00 0.00 60.65 59.46 2yru h LYS 35 Cb 1.33 0.10 -0.11 0.00 -0.60 0.00 0.00 32.23 32.95 2yru h LYS 35 CO 0.30 -0.15 -0.55 1.96 -3.45 0.00 0.00 179.45 177.55 2yru h GLN 36 N -1.03 -0.15 -0.23 1.90 1.08 -1.98 1.09 115.11 115.79 2yru h GLN 36 Ca -0.04 0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.21 2yru h GLN 36 Cb 0.46 0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.85 2yru h GLN 36 CO 0.07 -0.10 -0.47 0.28 -0.95 0.00 0.00 178.83 177.66 2yru h VAL 37 N -0.16 0.09 -0.35 -0.54 2.07 -1.93 0.65 116.25 116.08 2yru h VAL 37 Ca 0.14 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.74 2yru h VAL 37 Cb 0.50 0.09 -0.08 0.00 -1.52 0.00 0.00 31.29 30.27 2yru h VAL 37 CO -0.80 0.00 -0.24 0.00 0.02 0.00 0.00 177.57 176.55 2yru h ASP 39 N -0.19 0.70 0.46 0.00 1.82 0.29 0.38 116.42 119.88 2yru h ASP 39 Ca 0.17 0.10 -0.02 0.00 -0.39 0.00 0.00 57.03 56.89 2yru h ASP 39 Cb 0.46 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.45 2yru h ASP 39 CO -0.46 0.26 -0.22 -0.78 -1.61 0.00 0.00 179.24 176.42 2yru h ASP 40 N 0.72 -0.52 -0.89 2.28 1.82 0.44 0.70 116.42 120.97 2yru h ASP 40 Ca 0.55 0.02 0.16 0.00 -0.39 0.00 0.00 57.03 57.37 2yru h ASP 40 Cb 0.83 0.13 -0.16 0.00 0.68 0.00 0.00 39.33 40.81 2yru h ASP 40 CO -0.38 -0.21 -0.29 0.40 -1.61 0.00 0.00 179.24 177.15 2yru h ILE 41 N -0.95 0.08 -0.35 2.25 2.04 0.15 0.74 117.51 121.47 2yru h ILE 41 Ca -0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2yru h ILE 41 Cb 0.47 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 2yru h ILE 41 CO 0.10 0.00 0.23 0.77 0.00 0.00 0.00 178.15 179.26 2yru h SER 42 N -0.02 0.40 -1.01 1.72 4.64 -0.29 -1.56 113.55 117.43 2yru h SER 42 Ca 0.38 -0.01 0.25 0.00 -0.47 0.00 0.00 61.79 61.94 2yru h SER 42 Cb 0.63 -0.10 -0.09 0.00 -0.31 0.00 0.00 62.40 62.53 2yru h SER 42 CO -0.92 0.29 0.65 0.03 -0.87 0.00 0.00 176.83 176.02 2yru h ARG 43 N 0.48 0.43 -0.11 4.77 3.08 0.29 0.14 114.38 123.44 2yru h ARG 43 Ca 0.13 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.09 2yru h ARG 43 Cb -0.05 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 29.90 2yru h ARG 43 CO -0.03 0.28 -0.18 0.00 -1.07 0.00 0.00 179.97 178.97 2yru h ARG 44 N 0.44 0.33 -0.46 0.04 2.47 -0.04 -3.24 114.38 113.91 2yru h ARG 44 Ca 0.57 -0.20 0.09 0.00 -1.26 0.00 0.00 59.98 59.18 2yru h ARG 44 Cb 1.38 0.02 -0.10 0.00 -1.65 0.00 0.00 29.97 29.62 2yru h ARG 44 CO -0.29 0.78 -0.35 -0.07 0.56 0.00 0.00 179.97 180.60 2yru h LEU 45 N -0.09 -1.17 -1.58 3.04 3.38 0.01 1.58 115.31 120.48 2yru h LEU 45 Ca 0.01 0.21 0.16 0.00 0.09 0.00 0.00 57.88 58.35 2yru h LEU 45 Cb 0.75 0.55 -0.02 0.00 0.09 0.00 0.00 40.66 42.03 2yru h LEU 45 CO 0.04 -0.32 0.72 0.00 0.09 0.00 0.00 178.44 178.97 2yru h ALA 46 N 0.78 2.32 0.00 1.53 0.00 -1.36 0.27 119.26 122.79 2yru h ALA 46 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2yru h ALA 46 Cb 0.55 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2yru h ALA 46 CO -0.59 -1.01 -0.27 1.25 0.00 0.00 0.00 179.25 178.62 2yru h LEU 47 N 0.00 0.00 -1.53 0.00 6.46 0.20 -2.89 115.31 117.55 2yru h LEU 47 Ca 0.27 0.00 0.42 0.00 -0.12 0.00 0.00 57.88 58.44 2yru h LEU 47 Cb 1.71 0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 41.53 2yru h LEU 47 CO -0.00 0.61 0.89 0.25 -0.62 0.00 0.00 178.44 179.57 2yru h LEU 48 N -0.95 0.22 -0.12 2.25 5.85 0.13 1.83 115.31 124.51 2yru h LEU 48 Ca 0.00 0.10 -0.21 0.00 0.84 0.00 0.00 57.88 58.61 2yru h LEU 48 Cb 0.27 0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.39 2yru h LEU 48 CO 0.00 -0.10 -0.73 -0.09 -0.34 0.00 0.00 178.44 177.18 2yru h ARG 49 N 0.11 0.71 -0.43 1.25 2.43 -0.69 0.12 114.38 117.89 2yru h ARG 49 Ca 0.77 -0.60 -0.12 0.00 -0.81 0.00 0.00 59.98 59.22 2yru h ARG 49 Cb 2.52 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 32.19 2yru h ARG 49 CO -0.31 1.21 -0.20 1.05 -1.51 0.00 0.00 179.97 180.21 2yru h GLU 50 N 0.41 0.89 -0.25 0.20 4.11 0.26 0.24 114.58 120.43 2yru h GLU 50 Ca -0.06 -0.39 -0.18 0.00 0.07 0.00 0.00 59.36 58.81 2yru h GLU 50 Cb 1.37 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.59 2yru h GLU 50 CO 0.15 1.03 -0.55 1.96 0.07 0.00 0.00 179.01 181.67 2yru h GLN 51 N 0.71 0.77 0.56 1.06 4.20 0.57 1.51 115.11 124.49 2yru h GLN 51 Ca 0.10 -0.49 -0.03 0.00 0.06 0.00 0.00 58.65 58.29 2yru h GLN 51 Cb 0.76 0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.61 2yru h GLN 51 CO 0.06 1.12 -0.27 2.35 -0.67 0.00 0.00 178.83 181.42 2yru h TRP 52 N 0.59 -0.69 0.64 2.96 2.91 -0.66 0.73 115.95 122.43 2yru h TRP 52 Ca 0.01 -0.02 -0.03 0.00 1.13 0.00 0.00 58.89 59.98 2yru h TRP 52 Cb 1.14 0.23 0.01 0.00 -0.51 0.00 0.00 29.16 30.03 2yru h TRP 52 CO 0.06 -0.37 -0.31 0.00 -1.03 0.00 0.00 178.44 176.80 2yru h ALA 53 N -0.85 -0.86 -1.48 2.65 0.00 -0.57 -2.77 119.26 115.38 2yru h ALA 53 Ca -0.08 -0.21 0.45 0.00 0.00 0.00 0.00 54.91 55.08 2yru h ALA 53 Cb 0.64 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 18.67 2yru h ALA 53 CO 0.13 -0.86 1.03 0.41 0.00 0.00 0.00 179.25 179.95 2yru n GLY 54 N -0.77 -0.79 0.80 0.00 0.00 0.51 -4.68 105.19 100.27 2yru n GLY 54 Ca -0.12 0.60 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 -1.65 0.81 0.01 -0.02 0.00 -0.96 -4.95 105.19 98.43 2yru n GLY 55 Ca 0.36 -0.43 0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.26 0.05 -3.15 1.61 4.76 0.18 -4.86 118.16 114.49 2yru n LYS 56 Ca 0.00 -0.02 -0.30 0.00 -2.87 0.00 0.00 58.31 55.12 2yru n LYS 56 Cb 0.02 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 31.67 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 -2.97 3.99 0.36 -0.35 1.43 -0.79 -5.00 118.68 115.36 2yru s LEU 57 Ca 0.13 0.96 -0.05 0.00 -1.03 0.00 0.00 54.13 54.14 2yru s LEU 57 Cb 0.18 -3.79 -0.05 0.00 0.03 0.00 0.00 46.19 42.56 2yru s LEU 57 CO 0.65 -0.25 0.65 -0.94 0.23 0.00 0.00 176.35 176.68 2yru s SER 58 N -2.93 6.40 0.17 2.29 1.04 -1.26 -4.97 113.70 114.43 2yru s SER 58 Ca 0.48 0.80 -0.15 0.00 0.48 0.00 0.00 55.95 57.57 2yru s SER 58 Cb -0.11 -2.18 0.07 0.00 0.10 0.00 0.00 66.02 63.90 2yru s SER 58 CO 0.28 -0.34 1.81 0.40 0.98 0.00 0.00 173.24 176.37 2yru h ILE 59 N 0.95 1.05 0.00 -1.02 2.04 -1.99 0.67 117.51 119.22 2yru h ILE 59 Ca -0.48 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.19 2yru h ILE 59 Cb 1.20 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 2yru h ILE 59 CO 0.64 0.10 0.00 -0.81 0.00 0.00 0.00 178.15 178.08 2yru n PRO 60 N -4.82 0.47 0.02 2.37 -0.04 -1.26 -2.08 135.00 129.66 2yru n PRO 60 Ca 0.03 0.05 -0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2yru n PRO 60 Cb 0.06 -1.50 -0.09 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 -1.19 1.16 0.04 0.52 0.31 0.16 -3.05 118.33 116.28 2yru n VAL 61 Ca 0.13 -0.69 -0.22 0.00 -0.01 0.00 0.00 64.34 63.55 2yru n VAL 61 Cb 0.15 -0.71 -0.14 0.00 -0.91 0.00 0.00 33.84 32.23 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 0.33 -0.70 5.55 1.57 -0.91 -2.82 116.57 119.59 2yru h LYS 62 Ca -0.18 -0.57 -0.04 0.00 -1.87 0.00 0.00 60.65 58.00 2yru h LYS 62 Cb 1.60 0.21 -0.03 0.00 0.08 0.00 0.00 32.23 34.09 2yru h LYS 62 CO 0.04 1.27 0.27 0.87 -0.57 0.00 0.00 179.45 181.33 2yru h LYS 63 N 0.07 1.03 0.00 3.15 6.56 -1.58 -0.04 116.57 125.76 2yru h LYS 63 Ca -0.38 -0.18 -0.11 0.00 -1.06 0.00 0.00 60.65 58.92 2yru h LYS 63 Cb 2.05 -0.17 -0.02 0.00 -0.57 0.00 0.00 32.23 33.53 2yru h LYS 63 CO 0.13 0.84 -0.54 0.00 -2.06 0.00 0.00 179.45 177.82 2yru h ARG 64 N 1.01 0.00 0.24 3.15 3.08 -1.67 -3.01 114.38 117.18 2yru h ARG 64 Ca 0.23 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 2yru h ARG 64 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 2yru h ARG 64 CO -0.02 0.54 -0.12 0.52 -1.07 0.00 0.00 179.97 179.83 2yru h MET 65 N 0.00 -0.32 -1.00 0.04 2.86 -1.05 -2.98 114.93 112.49 2yru h MET 65 Ca -0.01 0.02 0.20 0.00 -2.06 0.00 0.00 59.70 57.85 2yru h MET 65 Cb 1.15 0.07 -0.10 0.00 0.06 0.00 0.00 31.60 32.78 2yru h MET 65 CO 0.07 0.05 0.61 0.00 1.06 0.00 0.00 176.91 178.71 2yru h ALA 66 N -0.37 1.77 0.13 6.32 0.00 -1.11 -0.93 119.26 125.08 2yru h ALA 66 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2yru h ALA 66 Cb 0.51 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2yru h ALA 66 CO 0.05 -0.14 -0.23 -0.07 0.00 0.00 0.00 179.25 178.87 2yru h LEU 67 N 0.70 -0.66 -0.95 0.00 3.38 -1.50 1.21 115.31 117.48 2yru h LEU 67 Ca 0.57 0.06 0.25 0.00 0.09 0.00 0.00 57.88 58.86 2yru h LEU 67 Cb 0.98 0.23 -0.13 0.00 0.09 0.00 0.00 40.66 41.83 2yru h LEU 67 CO -0.36 -0.27 0.48 0.25 0.09 0.00 0.00 178.44 178.64 2yru h LEU 68 N -0.38 0.45 0.55 1.67 6.46 -1.18 -0.66 115.31 122.22 2yru h LEU 68 Ca -0.01 0.16 -0.03 0.00 -0.12 0.00 0.00 57.88 57.88 2yru h LEU 68 Cb 0.36 0.12 0.01 0.00 -0.73 0.00 0.00 40.66 40.41 2yru h LEU 68 CO -0.08 -0.02 -0.26 0.58 -0.62 0.00 0.00 178.44 178.04 2yru h VAL 69 N 0.42 0.00 -0.91 1.05 2.07 -0.06 -0.82 116.25 118.00 2yru h VAL 69 Ca 0.63 -0.07 0.38 0.00 0.82 0.00 0.00 66.70 68.46 2yru h VAL 69 Cb 1.27 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.88 2yru h VAL 69 CO -0.54 0.00 0.47 0.00 0.02 0.00 0.00 177.57 177.52 2yru n GLN 70 N -4.16 -0.06 0.10 1.57 1.13 0.40 0.13 117.38 116.49 2yru n GLN 70 Ca -0.09 1.26 -0.13 0.00 -1.94 0.00 0.00 57.00 56.10 2yru n GLN 70 Cb 0.29 -2.25 -0.08 0.00 0.11 0.00 0.00 30.24 28.31 2yru n GLN 70 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2yru h GLU 71 N 0.00 -0.26 -0.82 -1.09 4.39 -0.89 -2.50 114.58 113.41 2yru h GLU 71 Ca 0.76 0.02 0.22 0.00 0.34 0.00 0.00 59.36 60.70 2yru h GLU 71 Cb 2.01 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 30.67 2yru h GLU 71 CO -0.71 0.08 0.57 1.25 -1.16 0.00 0.00 179.01 179.05 2yru h LEU 72 N -0.63 0.11 -0.14 1.33 6.46 0.25 0.47 115.31 123.16 2yru h LEU 72 Ca -0.03 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.72 2yru h LEU 72 Cb 0.45 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.37 2yru h LEU 72 CO 0.04 0.04 0.02 -0.07 -0.62 0.00 0.00 178.44 177.85 2yru h LEU 73 N 0.11 0.24 0.00 2.25 3.38 -0.47 -1.81 115.31 119.00 2yru h LEU 73 Ca 0.40 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2yru h LEU 73 Cb 1.41 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2yru h LEU 73 CO -0.05 0.45 0.00 1.41 0.09 0.00 0.00 178.44 180.35 2yru n HIS 74 N -4.79 0.00 -0.14 1.13 8.25 0.86 -4.82 115.22 115.71 2yru n HIS 74 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 2yru n HIS 74 Cb 0.19 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.21 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 -1.09 0.00 -1.66 4.41 8.25 0.54 -4.95 115.22 120.73 2yru n HIS 75 Ca 0.17 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.47 2yru n HIS 75 Cb 0.13 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.14 2yru n HIS 75 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2yru s GLN 76 N -0.45 1.43 0.15 -0.41 -1.52 0.13 -4.60 119.66 114.39 2yru s GLN 76 Ca 0.00 -0.27 0.06 0.00 -1.95 0.00 0.00 55.36 53.19 2yru s GLN 76 Cb 0.00 -4.96 -0.07 0.00 -0.22 0.00 0.00 33.01 27.76 2yru s GLN 76 CO 0.00 -5.06 1.35 -1.49 -0.25 0.00 0.00 175.29 169.83 2yru h TRP 77 N 11.69 0.11 -0.49 0.91 4.06 -1.91 -1.79 115.95 128.52 2yru h TRP 77 Ca 0.03 -0.07 -0.03 0.00 2.06 0.00 0.00 58.89 60.89 2yru h TRP 77 Cb 0.99 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 29.12 2yru h TRP 77 CO 1.08 0.95 0.19 -0.44 -3.56 0.00 0.00 178.44 176.66 2yru h ASP 78 N 0.03 0.65 0.01 -3.49 5.19 -1.97 -1.62 116.42 115.21 2yru h ASP 78 Ca -0.03 -0.08 -0.02 0.00 -0.62 0.00 0.00 57.03 56.28 2yru h ASP 78 Cb 1.61 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.96 2yru h ASP 78 CO 0.13 0.59 -0.09 0.00 -3.12 0.00 0.00 179.24 176.75 2yru h ALA 79 N 1.51 0.00 -0.76 3.45 0.00 -1.92 -2.41 119.26 119.13 2yru h ALA 79 Ca 0.17 -0.46 0.14 0.00 0.00 0.00 0.00 54.91 54.76 2yru h ALA 79 Cb 0.15 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.81 2yru h ALA 79 CO -0.02 -0.01 -0.30 0.00 0.00 0.00 0.00 179.25 178.92 2yru h ALA 80 N 0.14 0.21 0.27 0.00 0.00 -1.09 0.36 119.26 119.16 2yru h ALA 80 Ca -0.01 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2yru h ALA 80 Cb 0.94 0.77 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2yru h ALA 80 CO 0.02 -0.57 -0.13 0.22 0.00 0.00 0.00 179.25 178.79 2yru h ASP 81 N -0.07 -0.31 -0.87 0.00 1.82 -1.39 0.78 116.42 116.38 2yru h ASP 81 Ca 0.31 -0.03 0.18 0.00 -0.39 0.00 0.00 57.03 57.10 2yru h ASP 81 Cb 0.57 0.08 -0.16 0.00 0.68 0.00 0.00 39.33 40.50 2yru h ASP 81 CO -0.80 -0.17 -0.16 -0.78 -1.61 0.00 0.00 179.24 175.72 2yru h ASP 82 N -0.43 -0.71 0.24 2.28 1.82 -0.23 1.17 116.42 120.56 2yru h ASP 82 Ca -0.04 0.25 -0.01 0.00 -0.39 0.00 0.00 57.03 56.84 2yru h ASP 82 Cb 0.33 0.51 0.00 0.00 0.68 0.00 0.00 39.33 40.85 2yru h ASP 82 CO 0.06 -0.28 -0.11 0.40 -1.61 0.00 0.00 179.24 177.70 2yru h ILE 83 N 0.01 0.72 -0.96 2.25 2.04 -0.08 -2.11 117.51 119.40 2yru h ILE 83 Ca 0.44 -0.89 0.30 0.00 1.00 0.00 0.00 64.86 65.71 2yru h ILE 83 Cb 0.71 1.15 -0.16 0.00 -0.74 0.00 0.00 36.82 37.79 2yru h ILE 83 CO -0.87 0.16 0.37 -0.74 0.00 0.00 0.00 178.15 177.08 2yru h HIS 84 N -0.85 0.58 -0.23 1.37 -0.00 0.25 0.76 115.15 117.03 2yru h HIS 84 Ca -0.03 0.05 -0.03 0.00 -0.00 0.00 0.00 60.37 60.35 2yru h HIS 84 Cb 0.51 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.82 2yru h HIS 84 CO 0.06 -0.27 0.02 0.00 -0.00 0.00 0.00 177.93 177.74 2yru h ARG 85 N 0.19 0.40 -0.41 5.26 2.47 0.13 -1.38 114.38 121.05 2yru h ARG 85 Ca 0.67 -0.12 0.12 0.00 -1.26 0.00 0.00 59.98 59.39 2yru h ARG 85 Cb 1.50 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 29.76 2yru h ARG 85 CO -0.69 0.56 0.34 0.77 0.56 0.00 0.00 179.97 181.51 2yru h SER 86 N 0.19 0.00 0.11 7.04 0.02 0.12 0.12 113.55 121.14 2yru h SER 86 Ca 0.07 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.79 2yru h SER 86 Cb 0.37 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.93 2yru h SER 86 CO 0.01 0.00 -0.95 -0.07 -1.14 0.00 0.00 176.83 174.68 2yru h LEU 87 N 0.00 0.64 0.00 5.07 3.38 -0.49 -3.12 115.31 120.80 2yru h LEU 87 Ca 0.20 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.30 2yru h LEU 87 Cb 0.87 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2yru h LEU 87 CO -0.00 1.45 0.00 0.23 0.09 0.00 0.00 178.44 180.20 2yru n MET 88 N -4.01 0.07 -0.02 1.13 2.81 0.23 -0.69 117.12 116.63 2yru n MET 88 Ca -0.13 0.25 -0.01 0.00 -1.81 0.00 0.00 57.70 56.00 2yru n MET 88 Cb 0.86 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.86 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 -1.02 -3.38 116.25 115.95 2yru h VAL 89 Ca 0.00 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.58 2yru h VAL 89 Cb 0.17 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 2yru h VAL 89 CO 0.00 0.00 -0.03 -0.67 0.02 0.00 0.00 177.57 176.89 2yru n ASP 90 N -4.78 0.07 -3.48 0.57 2.03 -1.15 -4.59 116.55 105.23 2yru n ASP 90 Ca -0.01 0.12 -0.38 0.00 0.52 0.00 0.00 54.79 55.04 2yru n ASP 90 Cb 0.02 -0.51 -0.02 0.00 -0.72 0.00 0.00 41.12 39.89 2yru n ASP 90 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2yru n HIS 91 N -2.48 2.62 -0.03 -0.67 -0.00 0.13 -4.32 115.22 110.47 2yru n HIS 91 Ca -0.00 -2.76 -0.10 0.00 -0.00 0.00 0.00 57.72 54.85 2yru n HIS 91 Cb 0.02 -2.32 -0.14 0.00 -0.00 0.00 0.00 29.99 27.54 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 4.47 1.59 0.24 1.59 3.14 -0.96 -3.08 118.33 125.31 2yru n VAL 92 Ca 0.62 -0.79 0.12 0.00 -2.96 0.00 0.00 64.34 61.32 2yru n VAL 92 Cb 0.29 -1.00 0.13 0.00 -1.06 0.00 0.00 33.84 32.20 2yru n VAL 92 CO 0.00 0.00 0.00 0.74 -6.46 0.00 0.00 176.83 171.11 2yru h THR 93 N 0.00 0.00 0.00 1.55 2.02 -1.89 -2.81 112.91 111.78 2yru h THR 93 Ca -0.34 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 65.92 2yru h THR 93 Cb 2.05 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 70.19 2yru h THR 93 CO 0.07 0.00 -0.08 -0.33 0.37 0.00 0.00 175.52 175.55 2yru h GLU 94 N 0.00 0.00 -0.99 6.66 5.08 -1.89 -3.36 114.58 120.09 2yru h GLU 94 Ca 0.00 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.47 2yru h GLU 94 Cb 0.96 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.13 2yru h GLU 94 CO 0.00 0.00 0.62 -0.39 -1.00 0.00 0.00 179.01 178.24 2yru h VAL 95 N -0.84 0.95 -2.30 3.13 -1.51 -1.70 -3.43 116.25 110.56 2yru h VAL 95 Ca 0.00 -0.35 -0.52 0.00 -1.23 0.00 0.00 66.70 64.60 2yru h VAL 95 Cb 0.08 -0.15 0.24 0.00 -2.13 0.00 0.00 31.29 29.33 2yru h VAL 95 CO 0.00 0.19 -1.50 -1.54 -1.23 0.00 0.00 177.57 173.48 2yru n SER 96 N -4.61 -3.69 0.00 4.19 3.41 -1.06 -0.72 113.62 111.15 2yru n SER 96 Ca 0.18 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 2yru n SER 96 Cb 0.31 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 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 0.46 0.00 0.00 4.33 7.27 -1.26 -4.40 117.38 123.78 2yru n GLN 97 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.08 2yru n GLN 97 Cb 0.60 -1.92 0.00 0.00 2.41 0.00 0.00 30.24 31.33 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 -2.00 -0.81 -0.37 3.69 4.27 -1.16 -4.87 117.44 116.19 2yru n TRP 98 Ca 0.00 0.00 0.32 0.00 -3.89 0.00 0.00 57.50 53.93 2yru n TRP 98 Cb 0.00 0.16 0.55 0.00 -1.36 0.00 0.00 31.31 30.66 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 -1.74 -0.03 -0.18 -2.67 1.56 0.10 0.19 117.12 114.36 2yru n MET 99 Ca 0.00 1.05 -0.02 0.00 -0.27 0.00 0.00 57.70 58.46 2yru n MET 99 Cb 0.00 -2.04 0.04 0.00 2.15 0.00 0.00 33.22 33.38 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 0.44 0.77 1.12 -1.51 -1.92 0.98 116.25 116.14 2yru h VAL 100 Ca 0.72 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 66.15 2yru h VAL 100 Cb 2.25 0.44 0.00 0.00 -2.13 0.00 0.00 31.29 31.85 2yru h VAL 100 CO -0.43 0.00 -0.41 1.23 -1.23 0.00 0.00 177.57 176.73 2yru h GLY 101 N -0.01 -1.17 -0.10 5.19 0.00 0.18 -1.83 103.07 105.32 2yru h GLY 101 Ca 0.26 0.45 0.09 0.00 0.00 0.00 0.00 47.33 48.14 2yru h GLY 101 CO -0.57 -0.42 -0.22 -2.08 0.00 0.00 0.00 176.54 173.25 2yru h VAL 102 N -1.08 0.35 -0.76 4.60 2.07 -1.36 0.23 116.25 120.31 2yru h VAL 102 Ca -0.11 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.54 2yru h VAL 102 Cb 0.84 0.35 -0.13 0.00 -1.52 0.00 0.00 31.29 30.83 2yru h VAL 102 CO 0.15 0.00 -0.38 0.50 0.02 0.00 0.00 177.57 177.86 2yru h LYS 103 N -0.13 -0.10 -0.21 1.57 3.11 0.11 0.27 116.57 121.19 2yru h LYS 103 Ca 0.21 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.06 2yru h LYS 103 Cb 0.47 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.71 2yru h LYS 103 CO -0.54 -0.07 0.14 -0.09 -2.81 0.00 0.00 179.45 176.09 2yru h ARG 104 N -0.10 0.28 -0.92 1.90 9.65 -0.15 -2.87 114.38 122.16 2yru h ARG 104 Ca 0.26 -0.02 0.11 0.00 -1.10 0.00 0.00 59.98 59.23 2yru h ARG 104 Cb 0.57 -0.06 -0.13 0.00 -1.39 0.00 0.00 29.97 28.96 2yru h ARG 104 CO -0.81 0.18 -0.51 1.25 2.80 0.00 0.00 179.97 182.88 2yru h LEU 105 N 0.28 -1.87 -0.31 3.80 6.46 0.26 0.10 115.31 124.03 2yru h LEU 105 Ca 0.08 0.31 0.03 0.00 -0.12 0.00 0.00 57.88 58.18 2yru h LEU 105 Cb -0.03 0.86 -0.04 0.00 -0.73 0.00 0.00 40.66 40.72 2yru h LEU 105 CO -0.02 -0.27 -0.21 0.40 -0.62 0.00 0.00 178.44 177.73 2yru h ILE 106 N -0.05 0.00 -0.74 4.05 2.04 -0.95 1.15 117.51 123.01 2yru h ILE 106 Ca 0.21 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.19 2yru h ILE 106 Cb 0.49 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.44 2yru h ILE 106 CO -0.91 0.00 -0.36 0.00 0.00 0.00 0.00 178.15 176.88 2yru h ALA 107 N -0.54 0.02 0.19 1.87 0.00 -1.01 0.37 119.26 120.16 2yru h ALA 107 Ca 0.05 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2yru h ALA 107 Cb 0.16 0.87 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2yru h ALA 107 CO -0.31 -0.66 -0.31 0.93 0.00 0.00 0.00 179.25 178.90 2yru h GLU 108 N -0.10 -0.51 -0.73 0.00 4.39 0.17 1.05 114.58 118.84 2yru h GLU 108 Ca 0.27 0.03 0.07 0.00 0.34 0.00 0.00 59.36 60.08 2yru h GLU 108 Cb 0.57 0.12 -0.10 0.00 -0.10 0.00 0.00 28.75 29.23 2yru h GLU 108 CO -0.79 -0.34 -0.57 0.87 -1.16 0.00 0.00 179.01 177.01 2yru h LYS 109 N -0.53 -0.17 -0.51 2.33 1.79 0.24 0.51 116.57 120.23 2yru h LYS 109 Ca -0.02 0.01 0.09 0.00 -2.18 0.00 0.00 60.65 58.55 2yru h LYS 109 Cb 0.49 0.04 -0.07 0.00 -1.58 0.00 0.00 32.23 31.11 2yru h LYS 109 CO -0.10 -0.12 0.07 -0.22 -1.08 0.00 0.00 179.45 178.00 2yru h LYS 110 N -0.18 0.19 -0.45 3.15 3.64 -0.05 -0.97 116.57 121.91 2yru h LYS 110 Ca 0.12 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.58 2yru h LYS 110 Cb 0.50 -0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.18 2yru h LYS 110 CO -0.79 0.13 -0.18 0.77 -2.27 0.00 0.00 179.45 177.11 2yru h SER 111 N 0.20 -0.63 0.04 4.20 0.02 0.56 -0.12 113.55 117.82 2yru h SER 111 Ca 0.26 0.16 0.01 0.00 -0.84 0.00 0.00 61.79 61.37 2yru h SER 111 Cb 0.36 0.36 -0.03 0.00 0.14 0.00 0.00 62.40 63.23 2yru h SER 111 CO -0.36 -0.21 -0.35 -0.07 -1.14 0.00 0.00 176.83 174.69 2yru h LEU 112 N -0.09 -1.07 -1.00 5.07 3.38 0.10 0.04 115.31 121.75 2yru h LEU 112 Ca 0.22 0.12 0.34 0.00 0.09 0.00 0.00 57.88 58.64 2yru h LEU 112 Cb 0.42 0.40 -0.16 0.00 0.09 0.00 0.00 40.66 41.41 2yru h LEU 112 CO -0.50 -0.36 0.54 -1.28 0.09 0.00 0.00 178.44 176.93 2yru h SER 113 N -0.47 0.43 -3.86 -0.43 0.87 -0.72 -3.46 113.55 105.91 2yru h SER 113 Ca 0.00 0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 2yru h SER 113 Cb 0.49 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2yru h SER 113 CO -0.21 -0.21 -0.36 0.61 -0.53 0.00 0.00 176.83 176.13 2yru n GLY 114 N -1.29 -2.97 0.14 5.77 0.00 -0.00 -5.01 105.19 101.83 2yru n GLY 114 Ca 0.33 0.11 -0.08 0.00 0.00 0.00 0.00 46.02 46.38 2yru n GLY 114 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yru h PRO 115 N 1.14 -0.23 -6.34 1.61 0.13 -1.82 -3.46 132.00 123.03 2yru h PRO 115 Ca 0.00 0.02 -0.69 0.00 -0.87 0.00 0.00 66.00 64.45 2yru h PRO 115 Cb 0.07 0.05 -0.31 0.00 0.13 0.00 0.00 31.00 30.95 2yru h PRO 115 CO 0.05 0.07 -0.89 0.45 -0.23 0.00 0.00 178.00 177.45 2yru s SER 116 N -5.40 3.05 0.02 1.44 0.15 -1.26 -4.95 113.70 106.76 2yru s SER 116 Ca -0.09 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.08 2yru s SER 116 Cb 0.00 -0.56 0.00 0.00 -1.71 0.00 0.00 66.02 63.75 2yru s SER 116 CO 0.31 0.29 0.00 -0.24 1.20 0.00 0.00 173.24 174.79 2yru n SER 117 N 2.67 -9.19 0.00 5.45 2.88 -1.26 -5.17 113.62 108.99 2yru n SER 117 Ca -0.17 1.84 0.00 0.00 -1.33 0.00 0.00 58.87 59.22 2yru n SER 117 Cb 0.51 -5.08 0.00 0.00 -0.75 0.00 0.00 64.21 58.89 2yru n SER 117 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42