#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yru n SER 2 N 0.00 -2.61 -4.37 1.61 2.88 -1.26 -5.08 113.62 104.80 2yru n SER 2 Ca 0.00 -2.78 -0.46 0.00 -1.33 0.00 0.00 58.87 54.30 2yru n SER 2 Cb 0.00 1.11 -0.03 0.00 -0.75 0.00 0.00 64.21 64.54 2yru n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yru s SER 3 N 0.56 6.63 0.51 -3.46 0.15 -1.26 -5.03 113.70 111.79 2yru s SER 3 Ca 0.31 -2.32 -0.02 0.00 0.70 0.00 0.00 55.95 54.62 2yru s SER 3 Cb 0.02 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 2yru s SER 3 CO -0.10 -0.79 0.77 -0.83 1.20 0.00 0.00 173.24 173.50 2yru s GLY 4 N 2.82 1.58 0.21 9.45 0.00 -1.26 -5.11 107.32 115.01 2yru s GLY 4 Ca 0.20 -0.89 0.11 0.00 0.00 0.00 0.00 44.72 44.14 2yru s GLY 4 CO -0.07 -0.67 -0.19 -0.56 0.00 0.00 0.00 173.10 171.61 2yru s SER 5 N -4.25 3.72 -0.53 1.64 0.01 -1.26 -5.09 113.70 107.94 2yru s SER 5 Ca 0.51 -0.81 0.05 0.00 1.31 0.00 0.00 55.95 57.00 2yru s SER 5 Cb -0.10 -0.41 0.18 0.00 0.21 0.00 0.00 66.02 65.90 2yru s SER 5 CO 0.41 0.10 0.43 -1.54 0.41 0.00 0.00 173.24 173.05 2yru n SER 6 N 0.00 1.01 -4.04 2.44 3.41 -1.26 -5.07 113.62 110.11 2yru n SER 6 Ca -0.10 -2.75 -0.31 0.00 -0.26 0.00 0.00 58.87 55.45 2yru n SER 6 Cb 0.57 -0.64 -0.16 0.00 -0.26 0.00 0.00 64.21 63.72 2yru n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2yru s GLY 7 N -0.69 1.30 -0.28 5.00 0.00 -1.26 -5.09 107.32 106.30 2yru s GLY 7 Ca 0.31 -1.19 -0.21 0.00 0.00 0.00 0.00 44.72 43.63 2yru s GLY 7 CO -0.17 0.54 0.99 0.54 0.00 0.00 0.00 173.10 174.99 2yru s VAL 8 N 1.36 0.00 -0.03 1.40 0.11 -1.26 -5.16 120.40 116.82 2yru s VAL 8 Ca 0.01 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.08 2yru s VAL 8 Cb -0.15 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.71 2yru s VAL 8 CO -0.10 0.00 -0.05 -0.63 -3.33 0.00 0.00 175.10 170.99 2yru s ILE 9 N 0.79 0.54 0.00 7.04 1.01 -1.26 -4.94 121.20 124.38 2yru s ILE 9 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.43 2yru s ILE 9 Cb -0.04 -0.53 0.00 0.00 0.01 0.00 0.00 42.46 41.90 2yru s ILE 9 CO -0.11 0.20 0.00 -1.84 0.00 0.00 0.00 174.94 173.19 2yru n GLU 10 N 3.61 0.00 -3.56 2.79 0.28 -1.26 -5.14 120.64 117.36 2yru n GLU 10 Ca -0.21 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 56.63 2yru n GLU 10 Cb 0.53 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.34 2yru n GLU 10 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2yru s SER 11 N -1.48 -0.65 0.13 -1.84 1.04 -1.26 -5.18 113.70 104.47 2yru s SER 11 Ca 0.00 0.90 0.09 0.00 0.48 0.00 0.00 55.95 57.42 2yru s SER 11 Cb 0.00 0.79 -0.04 0.00 0.10 0.00 0.00 66.02 66.88 2yru s SER 11 CO 0.00 -0.46 -0.21 -1.61 0.98 0.00 0.00 173.24 171.94 2yru s GLU 12 N -0.68 1.20 -0.03 4.02 2.02 -1.26 -5.11 118.70 118.86 2yru s GLU 12 Ca -0.06 -1.26 0.06 0.00 0.02 0.00 0.00 54.97 53.72 2yru s GLU 12 Cb -0.02 -1.42 -0.02 0.00 0.10 0.00 0.00 34.13 32.77 2yru s GLU 12 CO 0.06 0.32 -0.20 0.99 0.02 0.00 0.00 175.26 176.45 2yru s THR 13 N -1.44 2.61 0.11 3.63 2.01 -1.26 -5.13 115.64 116.18 2yru s THR 13 Ca 0.10 -0.93 0.04 0.00 0.31 0.00 0.00 61.69 61.21 2yru s THR 13 Cb -0.09 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.40 2yru s THR 13 CO 0.05 0.56 0.11 -0.76 -0.69 0.00 0.00 174.62 173.89 2yru s LEU 14 N -0.75 3.82 0.21 4.42 1.43 -1.26 -5.01 118.68 121.55 2yru s LEU 14 Ca 0.11 -0.04 -0.09 0.00 -1.03 0.00 0.00 54.13 53.08 2yru s LEU 14 Cb -0.10 -2.47 0.16 0.00 0.03 0.00 0.00 46.19 43.80 2yru s LEU 14 CO 0.00 0.13 1.82 -0.29 0.23 0.00 0.00 176.35 178.24 2yru h ILE 15 N 2.35 1.24 0.00 -0.59 2.10 -1.98 0.51 117.51 121.14 2yru h ILE 15 Ca -0.47 -0.65 0.00 0.00 1.08 0.00 0.00 64.86 64.82 2yru h ILE 15 Cb 1.18 0.22 0.00 0.00 -1.09 0.00 0.00 36.82 37.13 2yru h ILE 15 CO 0.65 0.28 0.00 -0.62 -1.08 0.00 0.00 178.15 177.38 2yru n GLU 16 N -4.39 0.15 -0.03 2.19 1.02 -1.26 -0.61 120.64 117.71 2yru n GLU 16 Ca 0.07 0.10 -0.10 0.00 -0.02 0.00 0.00 57.16 57.21 2yru n GLU 16 Cb 0.12 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.89 2yru n GLU 16 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2yru n ASP 17 N -1.40 0.93 0.04 1.62 9.92 0.03 -2.00 116.55 125.69 2yru n ASP 17 Ca 0.08 0.34 0.11 0.00 -0.53 0.00 0.00 54.79 54.79 2yru n ASP 17 Cb 0.22 -0.03 0.03 0.00 -0.64 0.00 0.00 41.12 40.69 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 -3.06 0.27 -0.02 2.53 0.31 -0.37 -4.06 118.33 113.93 2yru n VAL 18 Ca -0.21 -0.33 -0.18 0.00 -0.01 0.00 0.00 64.34 63.62 2yru n VAL 18 Cb 1.06 0.03 -0.14 0.00 -0.91 0.00 0.00 33.84 33.89 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 -2.15 2.18 -0.30 7.52 7.99 0.22 -3.22 117.00 129.25 2yru n LEU 19 Ca 0.01 0.20 0.02 0.00 -0.01 0.00 0.00 56.01 56.23 2yru n LEU 19 Cb 0.47 -0.74 0.09 0.00 -0.11 0.00 0.00 43.42 43.13 2yru n LEU 19 CO 0.40 0.75 0.68 -0.09 -1.51 0.00 0.00 177.39 177.62 2yru h ARG 20 N 0.04 -0.02 0.08 3.23 9.65 -1.55 0.70 114.38 126.52 2yru h ARG 20 Ca -0.42 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.46 2yru h ARG 20 Cb 2.02 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.61 2yru h ARG 20 CO 0.06 -0.01 -0.04 -1.00 2.80 0.00 0.00 179.97 181.78 2yru h PRO 21 N -0.02 -0.10 -1.01 0.20 0.13 -1.74 -1.78 132.00 127.68 2yru h PRO 21 Ca 0.38 0.01 0.35 0.00 -0.87 0.00 0.00 66.00 65.86 2yru h PRO 21 Cb 0.61 0.02 -0.16 0.00 0.13 0.00 0.00 31.00 31.60 2yru h PRO 21 CO -0.86 0.44 0.57 -0.07 -0.23 0.00 0.00 178.00 177.85 2yru h LEU 22 N -0.86 0.47 -0.03 1.56 3.38 -1.33 0.53 115.31 119.04 2yru h LEU 22 Ca -0.01 0.21 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 2yru h LEU 22 Cb 0.59 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2yru h LEU 22 CO 0.02 -0.21 -0.16 -0.33 0.09 0.00 0.00 178.44 177.85 2yru h GLU 23 N 0.25 0.15 -0.79 1.13 5.08 0.35 -3.03 114.58 117.72 2yru h GLU 23 Ca 0.76 -0.13 0.19 0.00 -1.00 0.00 0.00 59.36 59.18 2yru h GLU 23 Cb 1.82 0.03 -0.13 0.00 0.50 0.00 0.00 28.75 30.97 2yru h GLU 23 CO -0.64 0.80 0.09 1.96 -1.00 0.00 0.00 179.01 180.22 2yru h GLN 24 N -0.46 0.15 0.34 2.33 1.08 0.88 0.78 115.11 120.21 2yru h GLN 24 Ca -0.01 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2yru h GLN 24 Cb 0.83 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.22 2yru h GLN 24 CO 0.03 0.10 -0.27 0.00 -0.95 0.00 0.00 178.83 177.75 2yru h ALA 25 N 1.71 -0.60 -0.74 3.87 0.00 -0.98 -2.62 119.26 119.91 2yru h ALA 25 Ca 0.45 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.37 2yru h ALA 25 Cb 0.83 0.36 -0.13 0.00 0.00 0.00 0.00 17.79 18.85 2yru h ALA 25 CO -0.64 -0.86 -0.39 1.25 0.00 0.00 0.00 179.25 178.61 2yru h LEU 26 N -0.61 -1.37 -0.98 0.00 5.85 -0.77 0.74 115.31 118.16 2yru h LEU 26 Ca -0.03 0.26 0.32 0.00 0.84 0.00 0.00 57.88 59.28 2yru h LEU 26 Cb 0.53 0.68 -0.18 0.00 0.37 0.00 0.00 40.66 42.06 2yru h LEU 26 CO -0.01 -0.30 0.26 -0.33 -0.34 0.00 0.00 178.44 177.72 2yru h GLU 27 N -0.12 0.05 0.38 1.25 4.39 -0.82 1.70 114.58 121.41 2yru h GLU 27 Ca 0.25 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.93 2yru h GLU 27 Cb 0.56 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 2yru h GLU 27 CO -0.80 0.03 -0.18 -0.44 -1.16 0.00 0.00 179.01 176.46 2yru h ASP 28 N 0.05 -0.43 -0.49 1.42 5.19 0.61 -2.63 116.42 120.13 2yru h ASP 28 Ca 0.69 -0.10 0.07 0.00 -0.62 0.00 0.00 57.03 57.07 2yru h ASP 28 Cb 1.60 0.11 -0.06 0.00 0.18 0.00 0.00 39.33 41.17 2yru h ASP 28 CO -0.82 -0.14 0.17 0.00 -3.12 0.00 0.00 179.24 175.33 2yru h HIS 30 N 0.35 0.00 -0.31 0.00 -0.00 0.24 1.00 115.15 116.43 2yru h HIS 30 Ca 0.24 0.00 -0.23 0.00 -0.00 0.00 0.00 60.37 60.38 2yru h HIS 30 Cb 0.25 0.00 -0.18 0.00 -0.00 0.00 0.00 27.41 27.48 2yru h HIS 30 CO -0.16 0.00 -0.64 0.41 -0.00 0.00 0.00 177.93 177.54 2yru n GLY 31 N -1.47 5.62 2.07 5.26 0.00 0.15 -4.82 105.19 112.00 2yru n GLY 31 Ca 0.08 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.93 -3.22 -2.09 1.61 -0.00 0.29 -4.99 115.22 105.89 2yru n HIS 32 Ca 0.29 0.52 -0.35 0.00 -0.00 0.00 0.00 57.72 58.18 2yru n HIS 32 Cb 0.81 1.63 0.02 0.00 -0.00 0.00 0.00 29.99 32.45 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 -1.30 2.94 0.43 1.59 2.01 0.21 -4.92 115.64 116.60 2yru s THR 33 Ca 0.00 0.57 -0.21 0.00 0.31 0.00 0.00 61.69 62.36 2yru s THR 33 Cb 0.00 -3.20 -0.14 0.00 0.01 0.00 0.00 72.50 69.17 2yru s THR 33 CO 0.00 -0.15 0.30 0.29 -0.69 0.00 0.00 174.62 174.37 2yru n LYS 34 N -1.56 0.27 0.22 4.92 5.02 -1.26 -4.60 118.16 121.17 2yru n LYS 34 Ca 0.12 0.10 0.06 0.00 -2.02 0.00 0.00 58.31 56.57 2yru n LYS 34 Cb 0.51 -1.26 0.52 0.00 -0.02 0.00 0.00 35.03 34.77 2yru n LYS 34 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 2yru h LYS 35 N 0.49 0.00 0.40 1.97 -0.00 -1.91 0.20 116.57 117.73 2yru h LYS 35 Ca -0.39 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.24 2yru h LYS 35 Cb 1.42 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.66 2yru h LYS 35 CO 0.48 0.19 -0.19 1.96 -0.00 0.00 0.00 179.45 181.89 2yru h GLN 36 N 0.00 -0.52 -0.32 0.07 1.08 -1.99 0.68 115.11 114.10 2yru h GLN 36 Ca -0.00 0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.28 2yru h GLN 36 Cb 0.35 0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.88 2yru h GLN 36 CO 0.02 -0.22 0.22 0.28 -0.95 0.00 0.00 178.83 178.18 2yru h VAL 37 N -0.99 0.97 0.14 -0.54 2.07 -1.86 -0.23 116.25 115.80 2yru h VAL 37 Ca -0.06 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 2yru h VAL 37 Cb 0.54 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2yru h VAL 37 CO 0.09 0.05 -0.07 0.00 0.02 0.00 0.00 177.57 177.66 2yru h ASP 39 N -0.54 0.27 0.33 0.00 1.82 0.20 -0.46 116.42 118.04 2yru h ASP 39 Ca -0.02 0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.62 2yru h ASP 39 Cb 0.43 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.40 2yru h ASP 39 CO 0.03 0.14 -0.16 -0.78 -1.61 0.00 0.00 179.24 176.87 2yru h ASP 40 N 0.29 -0.37 -0.65 2.28 3.58 -0.74 -1.95 116.42 118.87 2yru h ASP 40 Ca 0.33 0.01 0.06 0.00 0.42 0.00 0.00 57.03 57.86 2yru h ASP 40 Cb 0.88 0.10 -0.09 0.00 1.72 0.00 0.00 39.33 41.95 2yru h ASP 40 CO -0.08 -0.14 -0.45 0.40 -2.88 0.00 0.00 179.24 176.08 2yru h ILE 41 N -0.68 0.00 -0.70 2.25 2.04 -0.48 0.23 117.51 120.15 2yru h ILE 41 Ca -0.04 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.93 2yru h ILE 41 Cb 0.34 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.29 2yru h ILE 41 CO 0.07 0.00 -0.37 0.77 0.00 0.00 0.00 178.15 178.63 2yru h SER 42 N -0.09 -1.29 -1.02 1.72 4.64 -1.20 0.89 113.55 117.20 2yru h SER 42 Ca 0.11 0.25 0.27 0.00 -0.47 0.00 0.00 61.79 61.95 2yru h SER 42 Cb 0.36 0.64 -0.12 0.00 -0.31 0.00 0.00 62.40 62.97 2yru h SER 42 CO -0.66 -0.30 0.62 0.03 -0.87 0.00 0.00 176.83 175.65 2yru h ARG 43 N -0.13 0.47 -0.28 4.77 3.08 0.19 0.79 114.38 123.28 2yru h ARG 43 Ca 0.25 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 60.14 2yru h ARG 43 Cb 0.56 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 2yru h ARG 43 CO -0.77 0.31 -0.37 0.00 -1.07 0.00 0.00 179.97 178.08 2yru h ARG 44 N 0.49 0.64 0.59 0.04 2.47 0.25 -3.16 114.38 115.69 2yru h ARG 44 Ca 0.65 -0.31 -0.03 0.00 -1.26 0.00 0.00 59.98 59.04 2yru h ARG 44 Cb 1.40 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.72 2yru h ARG 44 CO -0.45 0.90 -0.29 -0.07 0.56 0.00 0.00 179.97 180.62 2yru h LEU 45 N 0.53 -0.70 -0.99 3.04 3.38 0.25 0.15 115.31 120.97 2yru h LEU 45 Ca 0.05 0.03 0.29 0.00 0.09 0.00 0.00 57.88 58.34 2yru h LEU 45 Cb 0.88 0.19 -0.18 0.00 0.09 0.00 0.00 40.66 41.63 2yru h LEU 45 CO 0.08 -0.49 0.11 0.00 0.09 0.00 0.00 178.44 178.22 2yru h ALA 46 N -0.39 1.31 0.40 1.53 0.00 -1.16 0.45 119.26 121.41 2yru h ALA 46 Ca -0.08 0.33 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 2yru h ALA 46 Cb 0.62 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2yru h ALA 46 CO 0.12 -0.62 -0.19 1.25 0.00 0.00 0.00 179.25 179.81 2yru h LEU 47 N 0.01 -0.45 -0.96 0.00 6.46 -1.39 -0.75 115.31 118.22 2yru h LEU 47 Ca 0.63 -0.13 0.17 0.00 -0.12 0.00 0.00 57.88 58.44 2yru h LEU 47 Cb 1.37 0.12 -0.17 0.00 -0.73 0.00 0.00 40.66 41.25 2yru h LEU 47 CO -0.89 -0.06 -0.32 0.25 -0.62 0.00 0.00 178.44 176.80 2yru h LEU 48 N -0.92 -1.18 -0.52 2.25 5.85 0.26 1.74 115.31 122.79 2yru h LEU 48 Ca -0.05 0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 2yru h LEU 48 Cb 0.55 0.68 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 2yru h LEU 48 CO 0.09 -0.30 0.26 -0.09 -0.34 0.00 0.00 178.44 178.06 2yru h ARG 49 N -0.01 0.73 -0.32 1.25 2.43 -0.43 0.70 114.38 118.73 2yru h ARG 49 Ca 0.39 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.46 2yru h ARG 49 Cb 0.65 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 2yru h ARG 49 CO -0.98 0.59 0.19 0.93 -1.51 0.00 0.00 179.97 179.20 2yru h GLU 50 N 0.69 0.44 -0.42 0.20 5.08 0.25 0.46 114.58 121.27 2yru h GLU 50 Ca 0.18 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.37 2yru h GLU 50 Cb 0.09 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2yru h GLU 50 CO -0.03 0.35 -0.24 1.96 -1.00 0.00 0.00 179.01 180.06 2yru h GLN 51 N 0.41 0.87 0.72 2.33 4.20 0.24 1.32 115.11 125.20 2yru h GLN 51 Ca 0.12 -0.37 -0.04 0.00 0.06 0.00 0.00 58.65 58.42 2yru h GLN 51 Cb 0.02 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 27.78 2yru h GLN 51 CO -0.02 1.01 -0.34 2.35 -0.67 0.00 0.00 178.83 181.15 2yru h TRP 52 N 0.75 -0.89 0.67 2.96 2.91 0.78 -0.02 115.95 123.11 2yru h TRP 52 Ca 0.10 -0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.06 2yru h TRP 52 Cb 0.78 0.30 0.01 0.00 -0.51 0.00 0.00 29.16 29.73 2yru h TRP 52 CO 0.05 -0.56 -0.32 0.00 -1.03 0.00 0.00 178.44 176.58 2yru h ALA 53 N -1.43 -0.90 -1.35 2.65 0.00 -0.10 -2.29 119.26 115.84 2yru h ALA 53 Ca -0.10 -0.20 0.43 0.00 0.00 0.00 0.00 54.91 55.04 2yru h ALA 53 Cb 0.74 0.35 -0.10 0.00 0.00 0.00 0.00 17.79 18.78 2yru h ALA 53 CO 0.16 -0.99 0.92 0.41 0.00 0.00 0.00 179.25 179.76 2yru n GLY 54 N -1.37 -0.75 0.26 0.00 0.00 0.45 -4.67 105.19 99.11 2yru n GLY 54 Ca -0.13 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 -1.57 0.86 0.02 -0.02 0.00 -0.86 -4.93 105.19 98.68 2yru n GLY 55 Ca 0.35 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.46 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 -2.09 0.03 -3.71 1.61 4.76 -0.07 -4.67 118.16 114.02 2yru n LYS 56 Ca 0.00 0.24 -0.36 0.00 -2.87 0.00 0.00 58.31 55.32 2yru n LYS 56 Cb 0.00 -1.55 -0.06 0.00 -1.84 0.00 0.00 35.03 31.58 2yru n LYS 56 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2yru s LEU 57 N -3.20 4.40 0.75 -0.35 1.43 -1.02 -4.95 118.68 115.74 2yru s LEU 57 Ca 0.08 0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 53.72 2yru s LEU 57 Cb 0.11 -2.54 0.04 0.00 0.03 0.00 0.00 46.19 43.83 2yru s LEU 57 CO 0.32 0.30 1.08 -0.44 0.23 0.00 0.00 176.35 177.84 2yru s SER 58 N -1.40 4.90 0.12 2.29 0.01 -1.26 -4.93 113.70 113.43 2yru s SER 58 Ca 0.24 1.44 -0.16 0.00 1.31 0.00 0.00 55.95 58.78 2yru s SER 58 Cb -0.14 -2.24 -0.02 0.00 0.21 0.00 0.00 66.02 63.83 2yru s SER 58 CO 0.13 -1.73 1.63 0.40 0.41 0.00 0.00 173.24 174.08 2yru h ILE 59 N -0.92 1.22 0.00 1.44 2.04 -1.98 -1.55 117.51 117.76 2yru h ILE 59 Ca -0.46 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 64.69 2yru h ILE 59 Cb 1.24 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 2yru h ILE 59 CO 0.58 0.25 0.00 -0.81 0.00 0.00 0.00 178.15 178.17 2yru n PRO 60 N -4.62 0.56 -0.01 2.37 -0.04 -1.26 -2.17 135.00 129.83 2yru n PRO 60 Ca -0.01 0.03 -0.07 0.00 -0.04 0.00 0.00 63.50 63.41 2yru n PRO 60 Cb 0.18 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.01 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 0.82 0.16 0.52 2.07 -1.65 -3.10 116.25 115.06 2yru h VAL 61 Ca 0.00 -2.62 -0.30 0.00 0.82 0.00 0.00 66.70 64.59 2yru h VAL 61 Cb 0.10 2.38 0.01 0.00 -1.52 0.00 0.00 31.29 32.25 2yru h VAL 61 CO 0.00 0.47 -1.51 0.11 0.02 0.00 0.00 177.57 176.66 2yru h LYS 62 N 0.00 0.33 -0.51 1.57 1.57 -1.08 -2.39 116.57 116.07 2yru h LYS 62 Ca -0.26 -0.56 -0.01 0.00 -1.87 0.00 0.00 60.65 57.95 2yru h LYS 62 Cb 1.95 0.21 -0.02 0.00 0.08 0.00 0.00 32.23 34.44 2yru h LYS 62 CO 0.08 1.27 0.26 0.87 -0.57 0.00 0.00 179.45 181.36 2yru h LYS 63 N -0.12 0.70 -0.04 3.15 6.56 -1.60 -1.58 116.57 123.64 2yru h LYS 63 Ca -0.30 -0.07 -0.19 0.00 -1.06 0.00 0.00 60.65 59.02 2yru h LYS 63 Cb 1.91 -0.14 0.01 0.00 -0.57 0.00 0.00 32.23 33.45 2yru h LYS 63 CO 0.13 0.52 -0.73 0.00 -2.06 0.00 0.00 179.45 177.31 2yru h ARG 64 N 0.70 0.56 0.16 3.15 3.08 -1.64 -3.30 114.38 117.11 2yru h ARG 64 Ca 0.18 -0.56 0.02 0.00 0.07 0.00 0.00 59.98 59.69 2yru h ARG 64 Cb 0.04 0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 2yru h ARG 64 CO -0.03 1.18 -0.41 0.52 -1.07 0.00 0.00 179.97 180.16 2yru h MET 65 N 0.16 -0.65 -1.32 0.04 2.86 -0.87 -0.05 114.93 115.09 2yru h MET 65 Ca -0.08 0.04 0.44 0.00 -2.06 0.00 0.00 59.70 58.04 2yru h MET 65 Cb 1.40 0.15 -0.13 0.00 0.06 0.00 0.00 31.60 33.08 2yru h MET 65 CO 0.15 -0.43 0.85 0.00 1.06 0.00 0.00 176.91 178.53 2yru h ALA 66 N -0.21 2.74 0.69 6.32 0.00 -1.41 0.45 119.26 127.83 2yru h ALA 66 Ca 0.01 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2yru h ALA 66 Cb 0.69 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 2yru h ALA 66 CO -0.21 -1.37 -0.40 -0.07 0.00 0.00 0.00 179.25 177.19 2yru h LEU 67 N 0.08 -1.01 -0.87 0.00 3.38 -1.08 0.73 115.31 116.54 2yru h LEU 67 Ca 0.82 0.05 0.20 0.00 0.09 0.00 0.00 57.88 59.04 2yru h LEU 67 Cb 2.58 0.29 -0.12 0.00 0.09 0.00 0.00 40.66 43.50 2yru h LEU 67 CO -0.42 -0.63 0.39 0.25 0.09 0.00 0.00 178.44 178.11 2yru h LEU 68 N -1.02 0.36 0.95 1.67 6.46 0.03 0.06 115.31 123.81 2yru h LEU 68 Ca -0.09 0.14 -0.05 0.00 -0.12 0.00 0.00 57.88 57.76 2yru h LEU 68 Cb 0.81 0.11 0.01 0.00 -0.73 0.00 0.00 40.66 40.85 2yru h LEU 68 CO 0.11 0.05 -0.45 0.58 -0.62 0.00 0.00 178.44 178.10 2yru h VAL 69 N 0.45 0.00 -0.96 1.05 2.07 -0.66 -0.00 116.25 118.20 2yru h VAL 69 Ca 0.52 -0.05 0.30 0.00 0.82 0.00 0.00 66.70 68.29 2yru h VAL 69 Cb 0.93 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.53 2yru h VAL 69 CO -0.48 0.00 0.27 1.56 0.02 0.00 0.00 177.57 178.94 2yru h GLN 70 N -1.32 0.10 0.46 1.57 1.08 0.17 0.30 115.11 117.48 2yru h GLN 70 Ca -0.13 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.04 2yru h GLN 70 Cb 0.97 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.39 2yru h GLN 70 CO 0.21 0.07 -0.22 0.93 -0.95 0.00 0.00 178.83 178.87 2yru h GLU 71 N 0.11 -0.60 -1.03 1.46 4.39 -0.72 -1.97 114.58 116.21 2yru h GLU 71 Ca 0.65 0.04 0.28 0.00 0.34 0.00 0.00 59.36 60.67 2yru h GLU 71 Cb 1.47 0.14 -0.07 0.00 -0.10 0.00 0.00 28.75 30.19 2yru h GLU 71 CO -0.77 -0.31 0.70 1.25 -1.16 0.00 0.00 179.01 178.72 2yru h LEU 72 N -0.81 0.24 -0.37 1.33 6.46 0.14 0.80 115.31 123.10 2yru h LEU 72 Ca -0.06 0.04 -0.06 0.00 -0.12 0.00 0.00 57.88 57.68 2yru h LEU 72 Cb 0.56 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.48 2yru h LEU 72 CO 0.10 0.06 0.00 -0.07 -0.62 0.00 0.00 178.44 177.91 2yru h LEU 73 N 0.22 0.64 -0.04 2.25 3.38 -0.22 -1.81 115.31 119.74 2yru h LEU 73 Ca 0.54 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2yru h LEU 73 Cb 1.69 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.27 2yru h LEU 73 CO -0.15 0.79 -0.01 1.41 0.09 0.00 0.00 178.44 180.57 2yru n HIS 74 N -4.48 0.00 -0.74 1.13 8.25 0.23 -4.84 115.22 114.76 2yru n HIS 74 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2yru n HIS 74 Cb 0.28 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.28 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 -1.06 0.00 -1.12 4.41 8.25 0.15 -4.93 115.22 120.93 2yru n HIS 75 Ca 0.20 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.23 2yru n HIS 75 Cb 0.17 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.22 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 -2.04 1.33 -0.14 -0.41 1.13 0.12 -4.57 117.38 112.82 2yru n GLN 76 Ca 0.00 -1.78 -0.06 0.00 -1.94 0.00 0.00 57.00 53.22 2yru n GLN 76 Cb 0.00 -2.91 0.12 0.00 0.11 0.00 0.00 30.24 27.56 2yru n GLN 76 CO 0.00 0.00 0.00 -1.49 -1.44 0.00 0.00 177.06 174.13 2yru h TRP 77 N 8.22 0.94 -0.69 1.08 4.06 -1.90 0.35 115.95 128.00 2yru h TRP 77 Ca 0.39 -0.15 0.12 0.00 2.06 0.00 0.00 58.89 61.31 2yru h TRP 77 Cb 0.68 -0.25 -0.04 0.00 -1.00 0.00 0.00 29.16 28.55 2yru h TRP 77 CO 1.21 0.86 0.46 -0.44 -3.56 0.00 0.00 178.44 176.98 2yru h ASP 78 N 0.81 0.43 0.02 -3.49 3.32 -1.97 -0.52 116.42 115.01 2yru h ASP 78 Ca 0.15 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 2yru h ASP 78 Cb 0.51 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.99 2yru h ASP 78 CO 0.03 0.25 -0.11 0.00 -1.72 0.00 0.00 179.24 177.69 2yru h ALA 79 N 1.66 -0.01 -0.77 3.45 0.00 -1.70 -2.89 119.26 119.00 2yru h ALA 79 Ca 0.33 -0.51 0.13 0.00 0.00 0.00 0.00 54.91 54.85 2yru h ALA 79 Cb 0.63 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.30 2yru h ALA 79 CO -0.10 0.04 -0.35 0.00 0.00 0.00 0.00 179.25 178.83 2yru h ALA 80 N 0.04 0.06 0.34 0.00 0.00 -0.10 0.16 119.26 119.77 2yru h ALA 80 Ca -0.02 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2yru h ALA 80 Cb 1.05 0.87 -0.02 0.00 0.00 0.00 0.00 17.79 19.70 2yru h ALA 80 CO 0.02 -0.65 -0.29 0.22 0.00 0.00 0.00 179.25 178.55 2yru h ASP 81 N -0.09 -0.78 -0.99 0.00 3.58 -1.24 0.60 116.42 117.50 2yru h ASP 81 Ca 0.28 0.06 0.11 0.00 0.42 0.00 0.00 57.03 57.91 2yru h ASP 81 Cb 0.57 0.26 -0.14 0.00 1.72 0.00 0.00 39.33 41.74 2yru h ASP 81 CO -0.81 -0.43 -0.51 -0.67 -2.88 0.00 0.00 179.24 173.93 2yru n ASP 82 N -5.42 -0.90 0.35 2.28 -0.08 0.32 0.13 116.55 113.23 2yru n ASP 82 Ca -0.10 1.76 -0.17 0.00 -1.51 0.00 0.00 54.79 54.77 2yru n ASP 82 Cb 0.32 -0.29 -0.09 0.00 2.34 0.00 0.00 41.12 43.40 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 0.33 -0.97 5.18 2.04 -0.51 -1.70 117.51 121.88 2yru h ILE 83 Ca 0.23 -0.11 0.21 0.00 1.00 0.00 0.00 64.86 66.19 2yru h ILE 83 Cb 0.48 0.37 -0.18 0.00 -0.74 0.00 0.00 36.82 36.74 2yru h ILE 83 CO -0.96 0.02 -0.18 -0.74 0.00 0.00 0.00 178.15 176.29 2yru h HIS 84 N -0.95 -0.40 -0.14 1.37 -0.00 0.24 0.83 115.15 116.10 2yru h HIS 84 Ca -0.09 0.08 0.02 0.00 -0.00 0.00 0.00 60.37 60.38 2yru h HIS 84 Cb 0.69 0.33 -0.02 0.00 -0.00 0.00 0.00 27.41 28.41 2yru h HIS 84 CO -0.02 -0.42 0.02 0.00 -0.00 0.00 0.00 177.93 177.51 2yru h ARG 85 N 0.00 0.07 -0.90 5.26 2.47 0.13 0.44 114.38 121.85 2yru h ARG 85 Ca 0.49 -0.00 0.17 0.00 -1.26 0.00 0.00 59.98 59.38 2yru h ARG 85 Cb 0.82 -0.02 -0.10 0.00 -1.65 0.00 0.00 29.97 29.03 2yru h ARG 85 CO -0.97 0.04 0.49 0.66 0.56 0.00 0.00 179.97 180.75 2yru h SER 86 N 0.07 0.59 -0.14 7.04 4.64 0.15 0.75 113.55 126.65 2yru h SER 86 Ca 0.06 0.10 -0.10 0.00 -0.47 0.00 0.00 61.79 61.39 2yru h SER 86 Cb 0.07 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2yru h SER 86 CO -0.10 0.21 -0.29 -0.07 -0.87 0.00 0.00 176.83 175.72 2yru h LEU 87 N 0.64 0.49 0.00 5.97 3.38 -0.12 -2.70 115.31 122.97 2yru h LEU 87 Ca 0.51 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2yru h LEU 87 Cb 0.78 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2yru h LEU 87 CO -0.39 0.96 0.00 0.23 0.09 0.00 0.00 178.44 179.33 2yru n MET 88 N -4.41 0.06 -0.08 1.13 2.81 0.15 0.19 117.12 116.97 2yru n MET 88 Ca -0.07 0.25 -0.17 0.00 -1.81 0.00 0.00 57.70 55.91 2yru n MET 88 Cb 0.47 -1.50 -0.12 0.00 -0.71 0.00 0.00 33.22 31.36 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 1.30 0.00 2.03 2.07 0.74 -3.36 116.25 119.03 2yru h VAL 89 Ca 0.00 -2.19 0.00 0.00 0.82 0.00 0.00 66.70 65.33 2yru h VAL 89 Cb 0.17 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 2yru h VAL 89 CO 0.00 0.44 -0.02 0.47 0.02 0.00 0.00 177.57 178.48 2yru n ASP 90 N -4.54 0.06 -3.53 0.57 9.92 -1.05 -4.59 116.55 113.39 2yru n ASP 90 Ca -0.19 0.12 -0.41 0.00 -0.53 0.00 0.00 54.79 53.79 2yru n ASP 90 Cb 0.54 -0.51 -0.01 0.00 -0.64 0.00 0.00 41.12 40.50 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 2.87 0.08 1.24 8.25 0.13 -4.46 115.22 120.88 2yru n HIS 91 Ca -0.00 -2.99 -0.23 0.00 -0.26 0.00 0.00 57.72 54.23 2yru n HIS 91 Cb 0.01 -2.37 -0.15 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 3.36 0.99 0.00 1.59 3.04 -1.66 -2.40 116.25 121.17 2yru h VAL 92 Ca 0.70 -2.53 0.00 0.00 -1.01 0.00 0.00 66.70 63.86 2yru h VAL 92 Cb 0.44 2.81 0.00 0.00 -2.01 0.00 0.00 31.29 32.53 2yru h VAL 92 CO 1.77 0.85 0.00 0.71 -1.01 0.00 0.00 177.57 179.88 2yru h THR 93 N 0.10 0.00 0.00 3.17 1.35 -1.90 -0.17 112.91 115.46 2yru h THR 93 Ca -0.33 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 2yru h THR 93 Cb 2.10 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 69.82 2yru h THR 93 CO 0.19 0.00 -0.33 -0.33 -0.25 0.00 0.00 175.52 174.80 2yru h GLU 94 N 0.00 0.00 -0.21 4.72 4.39 -1.90 -3.37 114.58 118.21 2yru h GLU 94 Ca 0.00 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.74 2yru h GLU 94 Cb 0.52 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 2yru h GLU 94 CO 0.00 0.00 0.14 -0.39 -1.16 0.00 0.00 179.01 177.60 2yru h VAL 95 N -0.82 0.95 -4.08 3.13 -1.51 -1.50 -3.43 116.25 108.99 2yru h VAL 95 Ca 0.00 -0.04 -0.51 0.00 -1.23 0.00 0.00 66.70 64.92 2yru h VAL 95 Cb 0.33 0.84 0.20 0.00 -2.13 0.00 0.00 31.29 30.53 2yru h VAL 95 CO 0.00 0.02 0.13 -1.54 -1.23 0.00 0.00 177.57 174.95 2yru n SER 96 N -4.49 -0.07 0.00 4.19 3.41 -0.07 0.10 113.62 116.69 2yru n SER 96 Ca 0.01 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 2yru n SER 96 Cb 0.21 -1.43 0.00 0.00 -0.26 0.00 0.00 64.21 62.73 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 -4.16 0.00 0.00 4.33 7.27 -1.26 -4.45 117.38 119.11 2yru n GLN 97 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.18 2yru n GLN 97 Cb 0.52 -1.86 0.00 0.00 2.41 0.00 0.00 30.24 31.31 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 -2.05 -1.01 -0.31 3.69 4.27 -1.18 -4.83 117.44 116.02 2yru n TRP 98 Ca 0.00 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 53.72 2yru n TRP 98 Cb 0.00 0.20 0.22 0.00 -1.36 0.00 0.00 31.31 30.38 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 -1.86 -0.07 -0.33 -2.67 1.56 0.28 0.20 117.12 114.23 2yru n MET 99 Ca 0.00 1.33 0.23 0.00 -0.27 0.00 0.00 57.70 58.99 2yru n MET 99 Cb 0.00 -2.09 0.43 0.00 2.15 0.00 0.00 33.22 33.72 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 0.07 0.46 1.12 -1.51 -1.93 0.84 116.25 115.30 2yru h VAL 100 Ca 0.51 -0.02 -0.02 0.00 -1.23 0.00 0.00 66.70 65.93 2yru h VAL 100 Cb 0.98 0.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.15 2yru h VAL 100 CO -0.85 0.01 -0.22 1.23 -1.23 0.00 0.00 177.57 176.51 2yru h GLY 101 N 0.06 -0.65 0.62 5.19 0.00 0.19 -1.91 103.07 106.58 2yru h GLY 101 Ca 0.71 0.24 0.05 0.00 0.00 0.00 0.00 47.33 48.33 2yru h GLY 101 CO -0.80 -0.23 0.09 -2.08 0.00 0.00 0.00 176.54 173.52 2yru h VAL 102 N -0.75 0.85 -0.52 4.60 2.07 -0.08 0.11 116.25 122.53 2yru h VAL 102 Ca -0.06 -0.08 0.10 0.00 0.82 0.00 0.00 66.70 67.47 2yru h VAL 102 Cb 0.54 0.60 -0.11 0.00 -1.52 0.00 0.00 31.29 30.81 2yru h VAL 102 CO 0.10 0.04 -0.32 0.50 0.02 0.00 0.00 177.57 177.91 2yru h LYS 103 N 0.23 -0.18 -0.16 1.57 3.11 0.52 0.35 116.57 122.01 2yru h LYS 103 Ca 0.17 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.02 2yru h LYS 103 Cb 0.17 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.44 2yru h LYS 103 CO -0.20 -0.12 0.11 -0.09 -2.81 0.00 0.00 179.45 176.34 2yru h ARG 104 N -0.19 0.21 -0.87 1.90 9.65 -0.61 -2.59 114.38 121.89 2yru h ARG 104 Ca 0.21 -0.01 0.17 0.00 -1.10 0.00 0.00 59.98 59.24 2yru h ARG 104 Cb 0.54 -0.05 -0.16 0.00 -1.39 0.00 0.00 29.97 28.91 2yru h ARG 104 CO -0.62 0.14 -0.26 1.25 2.80 0.00 0.00 179.97 183.28 2yru h LEU 105 N 0.22 -0.96 -0.25 3.80 5.85 0.12 0.18 115.31 124.27 2yru h LEU 105 Ca 0.06 0.27 0.03 0.00 0.84 0.00 0.00 57.88 59.08 2yru h LEU 105 Cb -0.03 0.58 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 2yru h LEU 105 CO -0.01 -0.29 -0.45 0.40 -0.34 0.00 0.00 178.44 177.75 2yru h ILE 106 N -0.02 0.00 -0.36 4.05 2.04 -0.74 1.02 117.51 123.50 2yru h ILE 106 Ca 0.39 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.30 2yru h ILE 106 Cb 0.63 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.63 2yru h ILE 106 CO -0.90 0.00 -0.52 0.00 0.00 0.00 0.00 178.15 176.73 2yru h ALA 107 N -0.37 -0.71 0.01 1.87 0.00 -0.69 0.79 119.26 120.16 2yru h ALA 107 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2yru h ALA 107 Cb 0.50 1.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 2yru h ALA 107 CO -0.44 -1.01 -0.13 0.93 0.00 0.00 0.00 179.25 178.60 2yru h GLU 108 N -0.41 -0.17 -0.86 0.00 4.39 -0.03 1.47 114.58 118.96 2yru h GLU 108 Ca 0.08 0.01 0.15 0.00 0.34 0.00 0.00 59.36 59.94 2yru h GLU 108 Cb 0.61 0.04 -0.15 0.00 -0.10 0.00 0.00 28.75 29.15 2yru h GLU 108 CO -0.56 -0.11 -0.33 0.87 -1.16 0.00 0.00 179.01 177.71 2yru h LYS 109 N -0.18 -0.04 0.17 2.33 1.79 0.15 0.51 116.57 121.30 2yru h LYS 109 Ca 0.00 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.48 2yru h LYS 109 Cb 0.18 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.82 2yru h LYS 109 CO -0.08 -0.03 -0.24 -0.22 -1.08 0.00 0.00 179.45 177.80 2yru h LYS 110 N -0.04 -0.45 -0.57 3.15 3.64 0.12 -2.37 116.57 120.05 2yru h LYS 110 Ca 0.34 0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.86 2yru h LYS 110 Cb 0.60 0.10 -0.11 0.00 -0.41 0.00 0.00 32.23 32.41 2yru h LYS 110 CO -0.89 -0.30 -0.23 1.03 -2.27 0.00 0.00 179.45 176.79 2yru h SER 111 N -0.47 -0.80 -0.86 4.20 0.87 0.60 -0.63 113.55 116.46 2yru h SER 111 Ca 0.01 0.20 0.09 0.00 -1.23 0.00 0.00 61.79 60.85 2yru h SER 111 Cb 0.47 0.45 -0.11 0.00 -0.44 0.00 0.00 62.40 62.76 2yru h SER 111 CO -0.10 -0.25 -0.56 -0.07 -0.53 0.00 0.00 176.83 175.32 2yru h LEU 112 N -0.09 -2.03 -0.04 2.23 3.38 0.31 -1.12 115.31 117.95 2yru h LEU 112 Ca 0.26 0.31 0.01 0.00 0.09 0.00 0.00 57.88 58.55 2yru h LEU 112 Cb 0.49 0.89 -0.03 0.00 0.09 0.00 0.00 40.66 42.11 2yru h LEU 112 CO -0.63 -0.28 -0.27 0.28 0.09 0.00 0.00 178.44 177.63 2yru h SER 113 N -0.09 -0.86 -5.86 -0.43 0.02 -0.89 -3.47 113.55 101.97 2yru h SER 113 Ca 0.16 0.10 -0.21 0.00 -0.84 0.00 0.00 61.79 61.00 2yru h SER 113 Cb 0.47 0.33 0.03 0.00 0.14 0.00 0.00 62.40 63.37 2yru h SER 113 CO -0.86 -0.25 -0.49 0.61 -1.14 0.00 0.00 176.83 174.69 2yru n GLY 114 N -1.22 -1.22 0.11 -3.77 0.00 -0.43 -4.94 105.19 93.73 2yru n GLY 114 Ca -0.03 0.51 -0.15 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.20 0.25 -4.06 1.61 0.13 -1.88 -3.42 132.00 124.43 2yru h PRO 115 Ca -0.31 -0.24 -0.60 0.00 -0.87 0.00 0.00 66.00 63.98 2yru h PRO 115 Cb 1.18 0.06 -0.39 0.00 0.13 0.00 0.00 31.00 31.98 2yru h PRO 115 CO 0.36 0.93 -0.76 0.45 -0.23 0.00 0.00 178.00 178.75 2yru s SER 116 N -6.38 3.94 0.28 1.44 0.15 -1.26 -5.12 113.70 106.74 2yru s SER 116 Ca -0.15 -1.44 0.01 0.00 0.70 0.00 0.00 55.95 55.07 2yru s SER 116 Cb 0.02 -1.08 -0.04 0.00 -1.71 0.00 0.00 66.02 63.21 2yru s SER 116 CO 0.76 -0.32 0.46 -0.94 1.20 0.00 0.00 173.24 174.39 2yru s SER 117 N 1.44 6.33 0.00 5.45 1.04 -1.26 -5.22 113.70 121.48 2yru s SER 117 Ca 0.02 0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.81 2yru s SER 117 Cb -0.18 -1.99 0.00 0.00 0.10 0.00 0.00 66.02 63.95 2yru s SER 117 CO -0.13 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.54