#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 -1.31 -0.12 1.61 0.01 -1.26 -5.06 113.70 107.57 2yru s SER 2 Ca 0.00 0.34 -0.07 0.00 1.31 0.00 0.00 55.95 57.53 2yru s SER 2 Cb 0.00 1.91 -0.04 0.00 0.21 0.00 0.00 66.02 68.09 2yru s SER 2 CO 0.00 -0.24 0.01 -1.28 0.41 0.00 0.00 173.24 172.14 2yru h SER 3 N 7.89 0.00 0.00 2.44 0.87 -2.10 -3.48 113.55 119.16 2yru h SER 3 Ca -0.08 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 2yru h SER 3 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2yru h SER 3 CO 0.12 0.69 0.00 0.61 -0.53 0.00 0.00 176.83 177.72 2yru n GLY 4 N 1.69 2.73 3.19 5.77 0.00 -1.26 -5.03 105.19 112.28 2yru n GLY 4 Ca -0.05 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 2yru n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yru n SER 5 N 2.58 -3.89 -1.42 1.61 2.88 -1.26 -4.69 113.62 109.44 2yru n SER 5 Ca 0.00 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 2yru n SER 5 Cb 0.00 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 2yru n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2yru n SER 6 N 1.12 -7.66 0.00 -3.46 7.64 -1.26 -5.06 113.62 104.94 2yru n SER 6 Ca 0.02 1.61 0.00 0.00 1.01 0.00 0.00 58.87 61.50 2yru n SER 6 Cb 0.57 -4.44 0.00 0.00 -1.01 0.00 0.00 64.21 59.33 2yru n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yru n GLY 7 N -2.26 0.85 3.64 0.23 0.00 -1.26 -5.15 105.19 101.23 2yru n GLY 7 Ca 0.00 -0.64 -0.06 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 0.00 0.02 1.61 0.11 -1.26 -5.17 120.40 115.70 2yru s VAL 8 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 2yru s VAL 8 Cb 0.00 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.84 2yru s VAL 8 CO 0.00 0.00 -0.03 -0.63 -3.33 0.00 0.00 175.10 171.11 2yru s ILE 9 N 0.70 0.16 -0.23 7.04 1.01 -1.26 -5.14 121.20 123.47 2yru s ILE 9 Ca -0.02 -0.63 -0.06 0.00 0.00 0.00 0.00 60.65 59.95 2yru s ILE 9 Cb -0.04 -0.24 -0.02 0.00 0.01 0.00 0.00 42.46 42.16 2yru s ILE 9 CO -0.11 -0.30 0.01 -1.61 0.00 0.00 0.00 174.94 172.94 2yru s GLU 10 N -0.97 3.52 -0.13 2.79 0.41 -1.26 -5.08 118.70 117.98 2yru s GLU 10 Ca -0.09 -0.55 -0.16 0.00 -0.41 0.00 0.00 54.97 53.75 2yru s GLU 10 Cb -0.07 -3.17 0.04 0.00 -1.78 0.00 0.00 34.13 29.16 2yru s GLU 10 CO -0.00 -0.19 0.44 -1.12 -0.49 0.00 0.00 175.26 173.89 2yru s SER 11 N 1.54 -0.43 1.16 -0.19 0.01 -1.26 -5.16 113.70 109.38 2yru s SER 11 Ca 0.06 0.74 -0.17 0.00 1.31 0.00 0.00 55.95 57.88 2yru s SER 11 Cb -0.15 0.77 0.21 0.00 0.21 0.00 0.00 66.02 67.07 2yru s SER 11 CO 0.00 -0.24 0.41 -1.84 0.41 0.00 0.00 173.24 171.98 2yru n GLU 12 N 2.43 -2.69 -3.65 12.44 0.00 -1.26 -4.93 120.64 122.97 2yru n GLU 12 Ca -0.15 -0.79 -0.12 0.00 0.00 0.00 0.00 57.16 56.10 2yru n GLU 12 Cb 0.57 -1.69 -0.07 0.00 0.00 0.00 0.00 31.44 30.24 2yru n GLU 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 2yru s THR 13 N -2.15 -0.00 0.15 3.84 2.01 -1.26 -5.04 115.64 113.17 2yru s THR 13 Ca 0.51 0.01 -0.04 0.00 0.31 0.00 0.00 61.69 62.48 2yru s THR 13 Cb -0.11 -0.94 -0.05 0.00 0.01 0.00 0.00 72.50 71.41 2yru s THR 13 CO 0.51 0.00 0.37 -0.76 -0.69 0.00 0.00 174.62 174.05 2yru s LEU 14 N 0.81 4.26 0.07 4.42 1.43 -1.26 -5.01 118.68 123.40 2yru s LEU 14 Ca -0.04 0.56 -0.24 0.00 -1.03 0.00 0.00 54.13 53.38 2yru s LEU 14 Cb -0.05 -3.29 -0.16 0.00 0.03 0.00 0.00 46.19 42.72 2yru s LEU 14 CO -0.06 0.05 1.65 -0.29 0.23 0.00 0.00 176.35 177.92 2yru h ILE 15 N 1.99 0.99 0.00 -0.59 2.10 -1.98 -0.68 117.51 119.35 2yru h ILE 15 Ca -0.46 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.30 2yru h ILE 15 Cb 1.17 1.11 0.00 0.00 -1.09 0.00 0.00 36.82 38.01 2yru h ILE 15 CO 0.72 0.05 0.00 -0.33 -1.08 0.00 0.00 178.15 177.51 2yru h GLU 16 N -0.17 0.00 0.01 2.19 5.08 -1.96 1.44 114.58 121.17 2yru h GLU 16 Ca -0.01 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 2yru h GLU 16 Cb 0.14 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 2yru h GLU 16 CO 0.01 0.00 -1.38 -0.44 -1.00 0.00 0.00 179.01 176.21 2yru h ASP 17 N 0.00 0.02 0.40 1.42 5.19 -1.57 -0.04 116.42 121.84 2yru h ASP 17 Ca 0.00 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 2yru h ASP 17 Cb 0.06 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.57 2yru h ASP 17 CO 0.00 1.03 -1.59 0.52 -3.12 0.00 0.00 179.24 176.08 2yru n VAL 18 N -3.21 0.25 0.01 -1.35 0.31 0.42 -4.22 118.33 110.54 2yru n VAL 18 Ca -0.09 -0.51 -0.19 0.00 -0.01 0.00 0.00 64.34 63.53 2yru n VAL 18 Cb 1.00 -0.13 -0.14 0.00 -0.91 0.00 0.00 33.84 33.66 2yru n VAL 18 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2yru h LEU 19 N 0.00 0.36 -0.91 7.52 -0.00 0.17 -3.20 115.31 119.25 2yru h LEU 19 Ca 0.00 -0.78 0.16 0.00 -0.00 0.00 0.00 57.88 57.26 2yru h LEU 19 Cb 0.99 -0.12 -0.16 0.00 -0.00 0.00 0.00 40.66 41.38 2yru h LEU 19 CO 0.00 1.69 -0.31 0.54 -0.00 0.00 0.00 178.44 180.36 2yru n ARG 20 N -3.41 -0.17 0.07 1.13 5.12 -0.03 0.19 116.66 119.57 2yru n ARG 20 Ca -0.28 1.41 -0.07 0.00 -1.93 0.00 0.00 57.85 56.99 2yru n ARG 20 Cb 1.05 -2.10 -0.04 0.00 -1.16 0.00 0.00 32.46 30.21 2yru n ARG 20 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2yru h PRO 21 N 0.00 -0.27 -0.93 5.56 0.13 -1.77 0.81 132.00 135.53 2yru h PRO 21 Ca 0.36 0.02 0.27 0.00 -0.87 0.00 0.00 66.00 65.78 2yru h PRO 21 Cb 0.59 0.06 -0.04 0.00 0.13 0.00 0.00 31.00 31.75 2yru h PRO 21 CO -0.92 -0.06 0.94 -0.07 -0.23 0.00 0.00 178.00 177.67 2yru h LEU 22 N -1.03 0.00 0.12 1.56 3.38 -1.32 1.38 115.31 119.40 2yru h LEU 22 Ca -0.03 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.58 2yru h LEU 22 Cb 0.35 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2yru h LEU 22 CO 0.05 0.00 -1.97 -0.62 0.09 0.00 0.00 178.44 175.99 2yru n GLU 23 N -3.55 0.76 0.20 1.13 1.02 0.52 -3.57 120.64 117.14 2yru n GLU 23 Ca 0.20 0.27 0.04 0.00 -0.02 0.00 0.00 57.16 57.64 2yru n GLU 23 Cb 1.24 -1.72 0.41 0.00 -0.02 0.00 0.00 31.44 31.36 2yru n GLU 23 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 2yru h GLN 24 N 0.07 0.00 0.11 3.49 3.07 0.39 -2.86 115.11 119.39 2yru h GLN 24 Ca -0.41 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.32 2yru h GLN 24 Cb 2.04 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.60 2yru h GLN 24 CO 0.09 0.31 -0.05 0.00 0.09 0.00 0.00 178.83 179.26 2yru h ALA 25 N 1.69 -0.15 -0.75 0.06 0.00 0.51 -3.05 119.26 117.58 2yru h ALA 25 Ca -0.00 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 54.90 2yru h ALA 25 Cb 0.55 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.27 2yru h ALA 25 CO 0.04 -0.41 0.03 1.25 0.00 0.00 0.00 179.25 180.17 2yru h LEU 26 N -0.50 -0.29 -1.74 0.00 5.85 -1.56 1.00 115.31 118.07 2yru h LEU 26 Ca -0.02 0.19 0.37 0.00 0.84 0.00 0.00 57.88 59.26 2yru h LEU 26 Cb 0.41 0.32 -0.08 0.00 0.37 0.00 0.00 40.66 41.68 2yru h LEU 26 CO 0.02 -0.16 0.88 -0.33 -0.34 0.00 0.00 178.44 178.52 2yru h GLU 27 N 0.12 0.11 -0.31 1.25 5.08 -1.40 1.86 114.58 121.30 2yru h GLU 27 Ca 0.41 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.60 2yru h GLU 27 Cb 0.73 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 2yru h GLU 27 CO -0.64 0.07 -0.48 0.22 -1.00 0.00 0.00 179.01 177.19 2yru h ASP 28 N 0.11 0.93 0.45 1.42 3.58 0.10 -2.53 116.42 120.48 2yru h ASP 28 Ca 0.67 -0.47 -0.24 0.00 0.42 0.00 0.00 57.03 57.41 2yru h ASP 28 Cb 2.33 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 43.12 2yru h ASP 28 CO -0.15 1.25 -1.02 0.00 -2.88 0.00 0.00 179.24 176.44 2yru h HIS 30 N 0.17 0.00 -0.92 0.00 -0.00 0.22 -0.91 115.15 113.72 2yru h HIS 30 Ca -0.09 0.00 -0.49 0.00 -0.00 0.00 0.00 60.37 59.79 2yru h HIS 30 Cb 1.68 0.00 -0.42 0.00 -0.00 0.00 0.00 27.41 28.67 2yru h HIS 30 CO 0.06 0.00 -0.89 0.41 -0.00 0.00 0.00 177.93 177.51 2yru n GLY 31 N -1.22 4.98 0.66 5.26 0.00 -0.96 -4.87 105.19 109.04 2yru n GLY 31 Ca -0.03 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.73 2yru n GLY 31 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2yru n HIS 32 N -0.57 -0.83 -2.01 1.61 -0.00 -0.66 -4.96 115.22 107.80 2yru n HIS 32 Ca 0.33 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.70 2yru n HIS 32 Cb 0.84 0.17 0.03 0.00 -0.00 0.00 0.00 29.99 31.03 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 -0.50 3.03 0.77 3.57 2.01 -0.44 -4.95 115.64 119.14 2yru s THR 33 Ca 0.00 0.58 -0.16 0.00 0.31 0.00 0.00 61.69 62.42 2yru s THR 33 Cb 0.00 -3.17 -0.09 0.00 0.01 0.00 0.00 72.50 69.25 2yru s THR 33 CO 0.00 -0.20 -0.00 0.29 -0.69 0.00 0.00 174.62 174.02 2yru n LYS 34 N -1.78 0.08 -0.05 4.92 5.02 -1.26 -4.61 118.16 120.48 2yru n LYS 34 Ca 0.12 0.05 -0.13 0.00 -2.02 0.00 0.00 58.31 56.33 2yru n LYS 34 Cb 0.51 -1.41 -0.07 0.00 -0.02 0.00 0.00 35.03 34.04 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 -0.58 0.36 -0.74 1.97 3.11 -1.92 -2.48 116.57 116.29 2yru h LYS 35 Ca -0.44 -0.19 0.17 0.00 -2.81 0.00 0.00 60.65 57.38 2yru h LYS 35 Cb 1.35 0.01 -0.13 0.00 -1.00 0.00 0.00 32.23 32.46 2yru h LYS 35 CO 0.36 0.73 0.01 -0.56 -2.81 0.00 0.00 179.45 177.19 2yru h GLN 36 N -0.01 0.10 -0.68 1.90 3.07 -1.98 1.35 115.11 118.86 2yru h GLN 36 Ca 0.02 -0.01 -0.06 0.00 0.09 0.00 0.00 58.65 58.70 2yru h GLN 36 Cb 0.67 -0.02 -0.03 0.00 0.08 0.00 0.00 27.48 28.17 2yru h GLN 36 CO 0.04 0.07 0.19 0.28 0.09 0.00 0.00 178.83 179.50 2yru h VAL 37 N 0.11 1.25 0.28 1.86 2.07 -1.90 -2.09 116.25 117.83 2yru h VAL 37 Ca 0.40 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 2yru h VAL 37 Cb 0.70 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2yru h VAL 37 CO -0.65 0.35 -0.13 0.00 0.02 0.00 0.00 177.57 177.16 2yru h ASP 39 N -0.59 0.00 0.16 0.00 3.58 0.17 0.37 116.42 120.11 2yru h ASP 39 Ca -0.04 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 2yru h ASP 39 Cb 0.43 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.48 2yru h ASP 39 CO 0.06 0.00 -0.08 -0.78 -2.88 0.00 0.00 179.24 175.56 2yru h ASP 40 N 0.00 -0.19 0.32 2.28 3.58 -0.62 -2.76 116.42 119.04 2yru h ASP 40 Ca 0.23 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.63 2yru h ASP 40 Cb 1.45 0.05 -0.03 0.00 1.72 0.00 0.00 39.33 42.51 2yru h ASP 40 CO -0.00 0.31 -0.48 0.40 -2.88 0.00 0.00 179.24 176.59 2yru h ILE 41 N -1.05 0.06 -0.80 2.25 2.04 0.20 -2.03 117.51 118.18 2yru h ILE 41 Ca -0.02 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.92 2yru h ILE 41 Cb 0.23 0.06 -0.11 0.00 -0.74 0.00 0.00 36.82 36.25 2yru h ILE 41 CO 0.04 0.00 -0.54 0.77 0.00 0.00 0.00 178.15 178.42 2yru h SER 42 N -0.85 -1.93 -0.89 1.72 4.64 -0.54 0.61 113.55 116.32 2yru h SER 42 Ca -0.03 0.30 0.23 0.00 -0.47 0.00 0.00 61.79 61.82 2yru h SER 42 Cb 0.79 0.85 -0.16 0.00 -0.31 0.00 0.00 62.40 63.58 2yru h SER 42 CO -0.15 -0.29 0.09 -0.09 -0.87 0.00 0.00 176.83 175.52 2yru h ARG 43 N -0.13 0.09 -0.75 4.77 2.43 -1.15 0.93 114.38 120.58 2yru h ARG 43 Ca 0.16 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 2yru h ARG 43 Cb 0.50 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 2yru h ARG 43 CO -0.83 0.06 0.33 0.00 -1.51 0.00 0.00 179.97 178.02 2yru h ARG 44 N 0.10 1.09 0.23 0.20 2.47 0.82 -2.95 114.38 116.33 2yru h ARG 44 Ca 0.53 -0.18 0.01 0.00 -1.26 0.00 0.00 59.98 59.09 2yru h ARG 44 Cb 1.06 -0.19 -0.04 0.00 -1.65 0.00 0.00 29.97 29.16 2yru h ARG 44 CO -0.76 0.87 -0.42 -0.07 0.56 0.00 0.00 179.97 180.15 2yru h LEU 45 N 1.06 -1.19 -1.00 3.04 3.38 0.33 0.19 115.31 121.12 2yru h LEU 45 Ca 0.25 0.12 0.30 0.00 0.09 0.00 0.00 57.88 58.64 2yru h LEU 45 Cb 0.16 0.43 -0.19 0.00 0.09 0.00 0.00 40.66 41.15 2yru h LEU 45 CO -0.03 -0.52 0.11 0.00 0.09 0.00 0.00 178.44 178.10 2yru h ALA 46 N -0.29 1.35 0.63 1.53 0.00 -1.03 0.42 119.26 121.86 2yru h ALA 46 Ca -0.00 0.33 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 2yru h ALA 46 Cb 0.70 0.56 0.01 0.00 0.00 0.00 0.00 17.79 19.06 2yru h ALA 46 CO -0.17 -0.65 -0.30 1.25 0.00 0.00 0.00 179.25 179.38 2yru h LEU 47 N 0.00 -0.72 -0.97 0.00 6.46 -1.10 0.26 115.31 119.24 2yru h LEU 47 Ca 0.65 -0.01 0.17 0.00 -0.12 0.00 0.00 57.88 58.57 2yru h LEU 47 Cb 1.43 0.19 -0.17 0.00 -0.73 0.00 0.00 40.66 41.37 2yru h LEU 47 CO -0.91 -0.34 -0.32 0.25 -0.62 0.00 0.00 178.44 176.50 2yru h LEU 48 N -1.15 -1.17 0.68 2.25 5.85 0.26 1.47 115.31 123.50 2yru h LEU 48 Ca -0.09 0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 2yru h LEU 48 Cb 0.68 0.68 0.01 0.00 0.37 0.00 0.00 40.66 42.40 2yru h LEU 48 CO 0.14 -0.31 -0.33 -0.09 -0.34 0.00 0.00 178.44 177.52 2yru h ARG 49 N -0.01 -0.88 -0.76 1.25 2.43 -0.35 0.62 114.38 116.68 2yru h ARG 49 Ca 0.40 0.06 0.15 0.00 -0.81 0.00 0.00 59.98 59.78 2yru h ARG 49 Cb 0.65 0.20 -0.14 0.00 -0.42 0.00 0.00 29.97 30.26 2yru h ARG 49 CO -0.99 -0.59 -0.20 0.93 -1.51 0.00 0.00 179.97 177.62 2yru h GLU 50 N -1.07 -0.00 -0.50 0.20 5.08 0.11 1.61 114.58 120.01 2yru h GLU 50 Ca -0.09 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 2yru h GLU 50 Cb 0.70 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 2yru h GLU 50 CO 0.15 -0.00 -0.07 1.96 -1.00 0.00 0.00 179.01 180.05 2yru h GLN 51 N -0.00 0.90 0.54 2.33 4.20 0.20 1.23 115.11 124.50 2yru h GLN 51 Ca 0.36 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 2yru h GLN 51 Cb 0.56 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 28.27 2yru h GLN 51 CO -0.79 0.93 -0.26 2.35 -0.67 0.00 0.00 178.83 180.40 2yru h TRP 52 N 0.81 -0.67 0.47 2.96 2.91 0.55 0.20 115.95 123.19 2yru h TRP 52 Ca 0.14 -0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.13 2yru h TRP 52 Cb 0.58 0.22 -0.01 0.00 -0.51 0.00 0.00 29.16 29.44 2yru h TRP 52 CO 0.03 -0.42 -0.35 0.00 -1.03 0.00 0.00 178.44 176.68 2yru h ALA 53 N -1.52 -0.82 -1.46 2.65 0.00 0.20 -1.61 119.26 116.70 2yru h ALA 53 Ca -0.07 -0.15 0.47 0.00 0.00 0.00 0.00 54.91 55.16 2yru h ALA 53 Cb 0.55 0.46 -0.11 0.00 0.00 0.00 0.00 17.79 18.69 2yru h ALA 53 CO 0.12 -0.99 0.98 0.41 0.00 0.00 0.00 179.25 179.77 2yru n GLY 54 N -1.47 -0.83 0.37 0.00 0.00 0.42 -4.70 105.19 98.98 2yru n GLY 54 Ca -0.11 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 -1.60 0.89 0.07 -0.02 0.00 -0.60 -4.96 105.19 98.97 2yru n GLY 55 Ca 0.39 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.18 0.24 -3.37 1.61 4.76 0.65 -4.79 118.16 115.07 2yru n LYS 56 Ca 0.00 0.13 -0.38 0.00 -2.87 0.00 0.00 58.31 55.19 2yru n LYS 56 Cb 0.00 -1.71 -0.06 0.00 -1.84 0.00 0.00 35.03 31.42 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 -4.19 4.42 0.82 -0.35 1.43 -0.94 -4.99 118.68 114.88 2yru s LEU 57 Ca 0.09 1.00 -0.11 0.00 -1.03 0.00 0.00 54.13 54.08 2yru s LEU 57 Cb 0.14 -2.71 0.09 0.00 0.03 0.00 0.00 46.19 43.73 2yru s LEU 57 CO 0.65 0.20 1.10 -0.55 0.23 0.00 0.00 176.35 177.98 2yru s SER 58 N -0.51 4.00 0.10 2.29 0.15 -1.26 -4.93 113.70 113.54 2yru s SER 58 Ca 0.26 1.82 -0.17 0.00 0.70 0.00 0.00 55.95 58.56 2yru s SER 58 Cb -0.17 -2.47 -0.07 0.00 -1.71 0.00 0.00 66.02 61.61 2yru s SER 58 CO 0.14 -2.35 1.50 0.40 1.20 0.00 0.00 173.24 174.12 2yru h ILE 59 N -1.35 1.28 0.00 6.45 5.03 -1.97 -2.30 117.51 124.65 2yru h ILE 59 Ca -0.45 -1.09 0.00 0.00 -0.12 0.00 0.00 64.86 63.20 2yru h ILE 59 Cb 1.25 1.38 0.00 0.00 -3.03 0.00 0.00 36.82 36.42 2yru h ILE 59 CO 0.50 0.35 0.00 -0.81 -0.68 0.00 0.00 178.15 177.51 2yru n PRO 60 N -4.49 0.33 0.11 2.37 -0.04 -1.26 -1.93 135.00 130.09 2yru n PRO 60 Ca -0.03 0.07 0.11 0.00 -0.04 0.00 0.00 63.50 63.61 2yru n PRO 60 Cb 0.31 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.28 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 0.01 0.03 0.52 2.07 -1.78 -3.21 116.25 113.89 2yru h VAL 61 Ca 0.00 -1.02 -0.35 0.00 0.82 0.00 0.00 66.70 66.15 2yru h VAL 61 Cb 0.21 1.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 2yru h VAL 61 CO 0.00 0.01 -1.99 0.29 0.02 0.00 0.00 177.57 175.90 2yru n LYS 62 N -2.70 0.63 -0.19 1.57 5.02 -0.91 -3.44 118.16 118.14 2yru n LYS 62 Ca 0.00 0.35 0.14 0.00 -2.02 0.00 0.00 58.31 56.77 2yru n LYS 62 Cb 0.55 -1.63 0.46 0.00 -0.02 0.00 0.00 35.03 34.39 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 -0.57 0.50 -0.25 1.97 1.57 -1.55 0.84 116.57 119.07 2yru h LYS 63 Ca -0.50 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.07 2yru h LYS 63 Cb 1.67 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.87 2yru h LYS 63 CO -0.18 0.33 -0.55 0.00 -0.57 0.00 0.00 179.45 178.48 2yru h ARG 64 N 0.51 0.82 0.52 3.15 -0.00 -1.72 -3.26 114.38 114.40 2yru h ARG 64 Ca 0.38 -0.55 -0.02 0.00 -0.50 0.00 0.00 59.98 59.30 2yru h ARG 64 Cb 0.74 0.07 -0.01 0.00 0.00 0.00 0.00 29.97 30.78 2yru h ARG 64 CO -0.14 1.17 -0.38 0.52 0.00 0.00 0.00 179.97 181.14 2yru h MET 65 N 0.58 -0.85 -0.95 0.04 2.86 -0.91 -2.10 114.93 113.60 2yru h MET 65 Ca 0.00 0.06 0.33 0.00 -2.06 0.00 0.00 59.70 58.03 2yru h MET 65 Cb 1.16 0.19 -0.17 0.00 0.06 0.00 0.00 31.60 32.84 2yru h MET 65 CO 0.12 -0.56 0.27 0.00 1.06 0.00 0.00 176.91 177.79 2yru n ALA 66 N -2.64 0.73 0.09 6.32 0.00 -0.50 -0.08 120.51 124.43 2yru n ALA 66 Ca -0.12 1.00 -0.06 0.00 0.00 0.00 0.00 53.44 54.26 2yru n ALA 66 Cb 0.40 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.45 -0.91 0.00 3.38 -1.42 0.67 115.31 116.58 2yru h LEU 67 Ca 0.69 0.04 0.26 0.00 0.09 0.00 0.00 57.88 58.96 2yru h LEU 67 Cb 1.67 0.15 -0.14 0.00 0.09 0.00 0.00 40.66 42.43 2yru h LEU 67 CO -0.82 -0.21 0.32 0.25 0.09 0.00 0.00 178.44 178.07 2yru h LEU 68 N -0.31 0.12 0.30 1.67 6.46 -0.30 0.39 115.31 123.65 2yru h LEU 68 Ca -0.02 0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 57.93 2yru h LEU 68 Cb 0.27 0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.43 2yru h LEU 68 CO -0.03 -0.15 -0.19 0.58 -0.62 0.00 0.00 178.44 178.03 2yru h VAL 69 N 0.24 0.59 -0.80 1.05 2.07 -0.07 -0.21 116.25 119.13 2yru h VAL 69 Ca 0.60 0.00 0.23 0.00 0.82 0.00 0.00 66.70 68.35 2yru h VAL 69 Cb 1.25 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 2yru h VAL 69 CO -0.65 0.00 0.61 1.56 0.02 0.00 0.00 177.57 179.11 2yru h GLN 70 N -0.48 0.00 -0.01 1.57 1.08 0.45 0.37 115.11 118.10 2yru h GLN 70 Ca -0.03 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.93 2yru h GLN 70 Cb 0.40 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.85 2yru h GLN 70 CO 0.03 0.00 -0.93 0.93 -0.95 0.00 0.00 178.83 177.91 2yru h GLU 71 N 0.00 0.64 0.00 1.46 4.39 0.25 -2.23 114.58 119.09 2yru h GLU 71 Ca 0.38 -0.68 -0.02 0.00 0.34 0.00 0.00 59.36 59.38 2yru h GLU 71 Cb 1.59 0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 30.43 2yru h GLU 71 CO -0.00 1.27 -0.10 1.25 -1.16 0.00 0.00 179.01 180.27 2yru h LEU 72 N 0.29 0.00 0.14 1.33 6.46 0.14 1.27 115.31 124.94 2yru h LEU 72 Ca -0.11 0.00 -0.30 0.00 -0.12 0.00 0.00 57.88 57.35 2yru h LEU 72 Cb 1.59 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 41.54 2yru h LEU 72 CO 0.18 0.10 -1.29 -0.07 -0.62 0.00 0.00 178.44 176.74 2yru h LEU 73 N 0.00 0.67 -0.26 2.25 3.38 -1.07 -3.10 115.31 117.18 2yru h LEU 73 Ca -0.00 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.29 2yru h LEU 73 Cb 0.23 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2yru h LEU 73 CO 0.01 1.51 -0.03 1.41 0.09 0.00 0.00 178.44 181.43 2yru n HIS 74 N -3.67 0.00 -0.58 1.13 8.25 -0.55 -4.86 115.22 114.94 2yru n HIS 74 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 2yru n HIS 74 Cb 1.03 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 32.05 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 -0.78 0.00 -0.68 4.41 -0.00 0.10 -4.90 115.22 113.37 2yru n HIS 75 Ca 0.19 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.69 2yru n HIS 75 Cb 0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.19 2yru n HIS 75 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 2yru n GLN 76 N -2.00 1.63 -0.15 -0.41 1.13 0.40 -4.54 117.38 113.45 2yru n GLN 76 Ca 0.00 -1.35 -0.04 0.00 -1.94 0.00 0.00 57.00 53.66 2yru n GLN 76 Cb 0.00 -2.45 0.05 0.00 0.11 0.00 0.00 30.24 27.95 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 6.89 0.32 -0.52 1.08 4.06 -1.91 0.14 115.95 126.01 2yru h TRP 77 Ca 0.40 0.02 0.10 0.00 2.06 0.00 0.00 58.89 61.48 2yru h TRP 77 Cb 0.22 -0.08 -0.10 0.00 -1.00 0.00 0.00 29.16 28.20 2yru h TRP 77 CO 1.85 0.13 -0.16 -0.44 -3.56 0.00 0.00 178.44 176.25 2yru h ASP 78 N 0.37 -0.59 0.42 -3.49 3.32 -1.94 0.30 116.42 114.81 2yru h ASP 78 Ca 0.21 0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.41 2yru h ASP 78 Cb 0.19 0.36 0.00 0.00 0.22 0.00 0.00 39.33 40.11 2yru h ASP 78 CO -0.20 -0.20 -0.20 0.00 -1.72 0.00 0.00 179.24 176.91 2yru h ALA 79 N 1.42 -0.57 -0.84 3.45 0.00 -1.62 -0.17 119.26 120.94 2yru h ALA 79 Ca 0.25 -0.12 0.21 0.00 0.00 0.00 0.00 54.91 55.24 2yru h ALA 79 Cb 0.42 0.22 -0.14 0.00 0.00 0.00 0.00 17.79 18.29 2yru h ALA 79 CO -0.55 -0.82 0.12 0.00 0.00 0.00 0.00 179.25 177.99 2yru h ALA 80 N 0.01 1.05 -0.72 0.00 0.00 0.53 1.27 119.26 121.42 2yru h ALA 80 Ca -0.06 0.24 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2yru h ALA 80 Cb 0.44 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2yru h ALA 80 CO 0.10 -0.46 0.27 0.22 0.00 0.00 0.00 179.25 179.38 2yru h ASP 81 N 0.15 0.98 -0.05 0.00 1.82 0.06 0.84 116.42 120.21 2yru h ASP 81 Ca 0.50 -0.15 0.01 0.00 -0.39 0.00 0.00 57.03 57.00 2yru h ASP 81 Cb 0.96 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.70 2yru h ASP 81 CO -0.69 0.88 -0.03 -0.78 -1.61 0.00 0.00 179.24 177.02 2yru h ASP 82 N 1.04 -0.09 -0.30 2.28 1.82 0.33 0.20 116.42 121.70 2yru h ASP 82 Ca 0.24 0.02 -0.09 0.00 -0.39 0.00 0.00 57.03 56.81 2yru h ASP 82 Cb 0.22 0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.27 2yru h ASP 82 CO -0.02 -0.04 -0.17 0.40 -1.61 0.00 0.00 179.24 177.81 2yru h ILE 83 N -0.03 1.30 -0.06 2.25 2.04 -0.34 -2.47 117.51 120.19 2yru h ILE 83 Ca 0.03 -1.28 0.03 0.00 1.00 0.00 0.00 64.86 64.65 2yru h ILE 83 Cb 0.07 1.49 -0.06 0.00 -0.74 0.00 0.00 36.82 37.58 2yru h ILE 83 CO -0.07 0.41 -0.45 -0.74 0.00 0.00 0.00 178.15 177.30 2yru h HIS 84 N 0.38 -1.30 -0.26 1.37 -0.00 0.11 0.54 115.15 116.00 2yru h HIS 84 Ca 0.06 0.05 0.06 0.00 -0.00 0.00 0.00 60.37 60.54 2yru h HIS 84 Cb 0.70 0.58 -0.07 0.00 -0.00 0.00 0.00 27.41 28.61 2yru h HIS 84 CO 0.06 -0.51 -0.24 0.00 -0.00 0.00 0.00 177.93 177.24 2yru h ARG 85 N -0.56 -0.23 -0.84 5.26 2.47 -0.61 0.14 114.38 120.00 2yru h ARG 85 Ca 0.05 0.02 0.20 0.00 -1.26 0.00 0.00 59.98 58.99 2yru h ARG 85 Cb 0.66 0.05 -0.12 0.00 -1.65 0.00 0.00 29.97 28.91 2yru h ARG 85 CO -0.37 -0.16 0.29 0.77 0.56 0.00 0.00 179.97 181.06 2yru h SER 86 N -0.24 0.15 0.37 7.04 0.02 -0.86 1.78 113.55 121.81 2yru h SER 86 Ca 0.14 0.16 -0.08 0.00 -0.84 0.00 0.00 61.79 61.17 2yru h SER 86 Cb 0.46 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 2yru h SER 86 CO -0.40 -0.04 -0.37 -0.07 -1.14 0.00 0.00 176.83 174.81 2yru h LEU 87 N 0.32 0.00 -0.06 5.07 3.38 0.10 -1.62 115.31 122.50 2yru h LEU 87 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.48 2yru h LEU 87 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2yru h LEU 87 CO -0.55 0.37 -0.36 0.80 0.09 0.00 0.00 178.44 178.79 2yru n MET 88 N -4.09 0.12 -0.08 1.13 1.56 0.42 -1.72 117.12 114.45 2yru n MET 88 Ca -0.02 -0.06 -0.17 0.00 -0.27 0.00 0.00 57.70 57.18 2yru n MET 88 Cb 0.41 -1.50 -0.13 0.00 2.15 0.00 0.00 33.22 34.15 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 0.14 1.48 0.00 1.12 2.07 0.30 -3.35 116.25 118.00 2yru h VAL 89 Ca 0.00 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.22 2yru h VAL 89 Cb 0.49 2.98 0.00 0.00 -1.52 0.00 0.00 31.29 33.24 2yru h VAL 89 CO 0.00 0.51 -0.03 0.47 0.02 0.00 0.00 177.57 178.55 2yru n ASP 90 N -4.52 0.07 -3.45 0.57 9.92 -0.87 -4.58 116.55 113.69 2yru n ASP 90 Ca -0.18 0.13 -0.40 0.00 -0.53 0.00 0.00 54.79 53.81 2yru n ASP 90 Cb 0.57 -0.51 -0.02 0.00 -0.64 0.00 0.00 41.12 40.52 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 -2.46 2.71 -0.07 1.24 8.25 -0.70 -4.48 115.22 119.70 2yru n HIS 91 Ca -0.00 -3.03 -0.14 0.00 -0.26 0.00 0.00 57.72 54.29 2yru n HIS 91 Cb 0.01 -2.41 -0.12 0.00 1.12 0.00 0.00 29.99 28.60 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 3.20 1.50 0.00 1.59 3.04 -1.66 -1.40 116.25 122.52 2yru h VAL 92 Ca 0.77 -2.21 0.00 0.00 -1.01 0.00 0.00 66.70 64.25 2yru h VAL 92 Cb 0.38 2.92 0.00 0.00 -2.01 0.00 0.00 31.29 32.57 2yru h VAL 92 CO 1.77 0.51 0.00 0.35 -1.01 0.00 0.00 177.57 179.18 2yru n THR 93 N -4.59 1.46 -0.07 3.17 -2.24 -1.26 0.88 114.28 111.63 2yru n THR 93 Ca -0.13 0.50 -0.06 0.00 -2.27 0.00 0.00 64.05 62.09 2yru n THR 93 Cb 0.48 -1.45 -0.02 0.00 -2.10 0.00 0.00 70.33 67.24 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 -1.79 0.40 0.26 -0.78 1.02 -1.23 -4.40 120.64 114.13 2yru n GLU 94 Ca 0.00 0.30 0.11 0.00 -0.02 0.00 0.00 57.16 57.55 2yru n GLU 94 Cb 0.06 -1.36 0.72 0.00 -0.02 0.00 0.00 31.44 30.83 2yru n GLU 94 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 2yru h VAL 95 N -0.81 0.79 -3.93 2.62 -1.51 -1.12 -3.43 116.25 108.86 2yru h VAL 95 Ca 0.00 -0.24 -0.49 0.00 -1.23 0.00 0.00 66.70 64.74 2yru h VAL 95 Cb 0.64 1.14 0.20 0.00 -2.13 0.00 0.00 31.29 31.14 2yru h VAL 95 CO 0.00 0.06 0.15 -0.94 -1.23 0.00 0.00 177.57 175.62 2yru s SER 96 N -6.58 2.30 0.00 4.19 1.04 0.26 0.11 113.70 115.01 2yru s SER 96 Ca -0.04 1.94 0.00 0.00 0.48 0.00 0.00 55.95 58.33 2yru s SER 96 Cb 0.15 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.80 2yru s SER 96 CO 0.62 -3.45 0.00 1.67 0.98 0.00 0.00 173.24 173.06 2yru n GLN 97 N -4.45 0.00 0.00 4.02 7.27 -1.26 -4.42 117.38 118.54 2yru n GLN 97 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.16 2yru n GLN 97 Cb 0.53 -2.17 0.00 0.00 2.41 0.00 0.00 30.24 31.01 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 -2.15 -1.25 -0.30 3.69 4.27 -1.20 -4.83 117.44 115.68 2yru n TRP 98 Ca 0.00 0.00 0.22 0.00 -3.89 0.00 0.00 57.50 53.83 2yru n TRP 98 Cb 0.00 0.25 0.42 0.00 -1.36 0.00 0.00 31.31 30.62 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 -1.99 -0.06 -0.28 -2.67 1.56 0.30 0.19 117.12 114.17 2yru n MET 99 Ca 0.00 1.28 0.08 0.00 -0.27 0.00 0.00 57.70 58.79 2yru n MET 99 Cb 0.00 -2.19 0.21 0.00 2.15 0.00 0.00 33.22 33.39 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 0.30 0.96 1.12 -1.51 -1.92 0.38 116.25 115.58 2yru h VAL 100 Ca 0.67 -0.04 -0.05 0.00 -1.23 0.00 0.00 66.70 66.05 2yru h VAL 100 Cb 1.65 0.16 0.01 0.00 -2.13 0.00 0.00 31.29 30.98 2yru h VAL 100 CO -0.75 0.02 -0.49 1.23 -1.23 0.00 0.00 177.57 176.35 2yru h GLY 101 N 0.12 -1.41 -0.22 5.19 0.00 0.17 -2.59 103.07 104.34 2yru h GLY 101 Ca 0.47 0.53 0.16 0.00 0.00 0.00 0.00 47.33 48.50 2yru h GLY 101 CO -0.69 -0.50 0.07 -2.08 0.00 0.00 0.00 176.54 173.34 2yru h VAL 102 N -1.33 0.42 -0.68 4.60 2.07 -1.08 0.21 116.25 120.46 2yru h VAL 102 Ca -0.13 -0.06 0.12 0.00 0.82 0.00 0.00 66.70 67.46 2yru h VAL 102 Cb 1.03 0.25 -0.13 0.00 -1.52 0.00 0.00 31.29 30.92 2yru h VAL 102 CO 0.20 0.03 -0.30 0.50 0.02 0.00 0.00 177.57 178.02 2yru h LYS 103 N 0.16 -0.10 -0.19 1.57 3.64 -0.06 0.15 116.57 121.74 2yru h LYS 103 Ca 0.40 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.79 2yru h LYS 103 Cb 0.71 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 2yru h LYS 103 CO -0.59 -0.06 0.10 -0.09 -2.27 0.00 0.00 179.45 176.54 2yru h ARG 104 N -0.10 0.27 -0.92 1.90 9.65 -0.31 -3.01 114.38 121.87 2yru h ARG 104 Ca 0.28 -0.03 0.08 0.00 -1.10 0.00 0.00 59.98 59.21 2yru h ARG 104 Cb 0.56 -0.05 -0.11 0.00 -1.39 0.00 0.00 29.97 28.97 2yru h ARG 104 CO -0.74 0.27 -0.57 1.25 2.80 0.00 0.00 179.97 182.97 2yru h LEU 105 N 0.20 -2.09 -0.73 3.80 6.46 0.11 0.68 115.31 123.74 2yru h LEU 105 Ca 0.07 0.31 0.13 0.00 -0.12 0.00 0.00 57.88 58.28 2yru h LEU 105 Cb 0.08 0.92 -0.13 0.00 -0.73 0.00 0.00 40.66 40.79 2yru h LEU 105 CO -0.01 -0.24 -0.28 0.40 -0.62 0.00 0.00 178.44 177.69 2yru h ILE 106 N -0.04 0.17 -0.80 4.05 2.04 -1.10 0.98 117.51 122.80 2yru h ILE 106 Ca 0.15 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.09 2yru h ILE 106 Cb 0.42 0.17 -0.07 0.00 -0.74 0.00 0.00 36.82 36.61 2yru h ILE 106 CO -0.88 0.00 0.47 0.00 0.00 0.00 0.00 178.15 177.73 2yru h ALA 107 N 1.39 1.13 0.35 1.87 0.00 0.19 -0.10 119.26 124.09 2yru h ALA 107 Ca 0.31 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 2yru h ALA 107 Cb 0.56 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2yru h ALA 107 CO -0.77 0.12 -0.17 0.93 0.00 0.00 0.00 179.25 179.36 2yru h GLU 108 N 0.81 -0.46 -0.95 0.00 4.39 0.54 -1.10 114.58 117.81 2yru h GLU 108 Ca 0.38 0.03 0.15 0.00 0.34 0.00 0.00 59.36 60.25 2yru h GLU 108 Cb 0.30 0.10 -0.15 0.00 -0.10 0.00 0.00 28.75 28.90 2yru h GLU 108 CO -0.22 -0.30 -0.39 0.87 -1.16 0.00 0.00 179.01 177.80 2yru h LYS 109 N -0.50 -0.02 -0.36 2.33 1.79 0.06 0.52 116.57 120.39 2yru h LYS 109 Ca -0.05 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.49 2yru h LYS 109 Cb 0.36 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 30.93 2yru h LYS 109 CO 0.08 -0.01 -0.37 -0.22 -1.08 0.00 0.00 179.45 177.85 2yru h LYS 110 N -0.02 -0.30 -0.84 3.15 3.64 -0.97 0.17 116.57 121.41 2yru h LYS 110 Ca 0.33 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.81 2yru h LYS 110 Cb 0.58 0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 32.36 2yru h LYS 110 CO -0.96 -0.20 -0.56 1.03 -2.27 0.00 0.00 179.45 176.50 2yru h SER 111 N -0.31 -2.01 0.40 4.20 0.87 0.14 -0.81 113.55 116.03 2yru h SER 111 Ca 0.15 0.30 -0.01 0.00 -1.23 0.00 0.00 61.79 61.00 2yru h SER 111 Cb 0.57 0.88 -0.03 0.00 -0.44 0.00 0.00 62.40 63.38 2yru h SER 111 CO -0.53 -0.28 -0.49 -0.07 -0.53 0.00 0.00 176.83 174.93 2yru h LEU 112 N -0.11 -1.36 -7.70 2.23 4.07 -0.44 -3.22 115.31 108.78 2yru h LEU 112 Ca 0.15 0.12 -0.51 0.00 0.08 0.00 0.00 57.88 57.72 2yru h LEU 112 Cb 0.48 0.46 -0.05 0.00 1.08 0.00 0.00 40.66 42.63 2yru h LEU 112 CO -0.85 -0.61 1.73 -1.20 -1.08 0.00 0.00 178.44 176.43 2yru n SER 113 N -5.34 3.81 -4.04 -0.43 7.64 0.49 -4.85 113.62 110.90 2yru n SER 113 Ca -0.11 -2.79 -0.34 0.00 1.01 0.00 0.00 58.87 56.64 2yru n SER 113 Cb 0.43 -1.69 -0.12 0.00 -1.01 0.00 0.00 64.21 61.82 2yru n SER 113 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yru s GLY 114 N 5.30 2.43 0.01 0.23 0.00 -1.20 -4.72 107.32 109.38 2yru s GLY 114 Ca 0.61 -3.20 -0.20 0.00 0.00 0.00 0.00 44.72 41.93 2yru s GLY 114 CO 0.10 1.05 1.14 -0.56 0.00 0.00 0.00 173.10 174.83 2yru h PRO 115 N 6.90 0.42 -6.24 2.90 0.13 -1.90 -3.46 132.00 130.74 2yru h PRO 115 Ca -0.05 -0.41 -0.48 0.00 -0.87 0.00 0.00 66.00 64.20 2yru h PRO 115 Cb 0.94 0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 2yru h PRO 115 CO 0.69 1.06 -0.34 -1.54 -0.23 0.00 0.00 178.00 177.65 2yru s SER 116 N -6.67 5.19 -0.16 1.44 1.04 -1.26 -5.12 113.70 108.17 2yru s SER 116 Ca -0.13 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.62 2yru s SER 116 Cb 0.04 -0.55 0.03 0.00 0.10 0.00 0.00 66.02 65.64 2yru s SER 116 CO 0.81 -0.71 -0.12 -0.44 0.98 0.00 0.00 173.24 173.77 2yru s SER 117 N -4.20 2.78 0.00 7.02 0.01 -1.26 -5.19 113.70 112.86 2yru s SER 117 Ca 0.50 -0.56 0.05 0.00 1.31 0.00 0.00 55.95 57.25 2yru s SER 117 Cb -0.05 -1.12 0.04 0.00 0.21 0.00 0.00 66.02 65.10 2yru s SER 117 CO 0.29 -0.10 0.67 0.61 0.41 0.00 0.00 173.24 175.12