#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 -8.80 -3.90 1.61 3.41 -1.26 -5.06 113.62 99.62 2yru n SER 2 Ca 0.00 1.72 -0.11 0.00 -0.26 0.00 0.00 58.87 60.22 2yru n SER 2 Cb 0.00 -4.96 -0.10 0.00 -0.26 0.00 0.00 64.21 58.89 2yru n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2yru s SER 3 N -0.54 0.08 0.00 4.04 1.04 -1.26 -5.16 113.70 111.90 2yru s SER 3 Ca 0.00 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2yru s SER 3 Cb 0.00 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.31 2yru s SER 3 CO 0.00 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.45 2yru n GLY 4 N 1.38 1.49 3.29 7.32 0.00 -1.26 -5.19 105.19 112.23 2yru n GLY 4 Ca -0.23 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 44.94 2yru n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yru s SER 5 N 0.92 -0.18 0.01 1.61 0.01 -1.26 -5.08 113.70 109.73 2yru s SER 5 Ca 0.00 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.00 2yru s SER 5 Cb 0.00 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.66 2yru s SER 5 CO 0.00 -0.75 0.00 -1.54 0.41 0.00 0.00 173.24 171.36 2yru n SER 6 N 0.10 -0.12 -4.29 2.44 3.41 -1.26 -5.07 113.62 108.83 2yru n SER 6 Ca -0.17 0.03 -0.43 0.00 -0.26 0.00 0.00 58.87 58.04 2yru n SER 6 Cb 0.62 0.60 -0.08 0.00 -0.26 0.00 0.00 64.21 65.09 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 -1.03 2.03 0.22 5.00 0.00 -1.26 -5.03 107.32 107.25 2yru s GLY 7 Ca 0.00 -2.35 -0.10 0.00 0.00 0.00 0.00 44.72 42.27 2yru s GLY 7 CO 0.00 1.08 0.38 0.54 0.00 0.00 0.00 173.10 175.11 2yru s VAL 8 N 1.50 0.02 0.00 1.40 0.11 -1.26 -5.08 120.40 117.09 2yru s VAL 8 Ca 0.04 -1.45 0.00 0.00 -2.93 0.00 0.00 61.98 57.64 2yru s VAL 8 Cb -0.26 -2.12 0.00 0.00 -1.53 0.00 0.00 36.38 32.48 2yru s VAL 8 CO 0.02 -0.08 0.00 -0.38 -3.33 0.00 0.00 175.10 171.33 2yru n ILE 9 N -0.32 0.00 -3.05 7.04 5.41 -1.26 -4.96 119.36 122.22 2yru n ILE 9 Ca -0.03 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.71 2yru n ILE 9 Cb 0.63 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.56 2yru n ILE 9 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2yru n GLU 10 N 12.87 -0.27 0.00 0.38 -0.58 -1.26 -4.88 120.64 126.89 2yru n GLU 10 Ca 0.00 0.73 0.00 0.00 -0.42 0.00 0.00 57.16 57.47 2yru n GLU 10 Cb 0.00 -0.94 0.00 0.00 -0.57 0.00 0.00 31.44 29.93 2yru n GLU 10 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2yru n SER 11 N 1.27 0.00 -1.70 1.62 7.64 -1.26 -5.15 113.62 116.03 2yru n SER 11 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2yru n SER 11 Cb 0.48 0.43 0.00 0.00 -1.01 0.00 0.00 64.21 64.11 2yru n SER 11 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2yru n GLU 12 N -2.41 -4.63 -4.18 1.43 1.02 -1.26 -4.98 120.64 105.63 2yru n GLU 12 Ca 0.00 3.34 -0.36 0.00 -0.02 0.00 0.00 57.16 60.13 2yru n GLU 12 Cb 0.00 -3.61 -0.08 0.00 -0.02 0.00 0.00 31.44 27.73 2yru n GLU 12 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2yru s THR 13 N -1.27 4.76 0.03 2.62 2.01 -1.26 -5.10 115.64 117.43 2yru s THR 13 Ca 0.00 -0.09 -0.02 0.00 0.31 0.00 0.00 61.69 61.88 2yru s THR 13 Cb 0.00 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 2yru s THR 13 CO 0.00 0.60 0.22 -0.76 -0.69 0.00 0.00 174.62 173.98 2yru s LEU 14 N -0.98 4.36 0.19 4.42 1.43 -1.26 -5.00 118.68 121.83 2yru s LEU 14 Ca 0.14 0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 53.52 2yru s LEU 14 Cb -0.12 -2.80 0.08 0.00 0.03 0.00 0.00 46.19 43.39 2yru s LEU 14 CO 0.04 0.21 1.66 -0.29 0.23 0.00 0.00 176.35 178.20 2yru h ILE 15 N 2.52 1.27 0.00 -0.59 2.10 -1.98 -0.99 117.51 119.83 2yru h ILE 15 Ca -0.47 -1.11 0.00 0.00 1.08 0.00 0.00 64.86 64.36 2yru h ILE 15 Cb 1.18 0.72 0.00 0.00 -1.09 0.00 0.00 36.82 37.63 2yru h ILE 15 CO 0.71 0.41 0.00 -0.62 -1.08 0.00 0.00 178.15 177.57 2yru n GLU 16 N -4.20 0.17 -0.04 2.19 -0.58 -1.26 0.32 120.64 117.25 2yru n GLU 16 Ca 0.04 0.16 -0.00 0.00 -0.42 0.00 0.00 57.16 56.93 2yru n GLU 16 Cb 0.32 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.55 2yru n GLU 16 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2yru n ASP 17 N -1.33 0.21 0.01 1.62 8.00 -0.45 -2.55 116.55 122.06 2yru n ASP 17 Ca 0.07 0.09 0.06 0.00 0.71 0.00 0.00 54.79 55.72 2yru n ASP 17 Cb 0.13 1.13 -0.12 0.00 -0.02 0.00 0.00 41.12 42.25 2yru n ASP 17 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2yru n VAL 18 N -2.62 0.56 0.04 2.53 0.31 -0.64 -4.09 118.33 114.43 2yru n VAL 18 Ca -0.17 -0.60 0.06 0.00 -0.01 0.00 0.00 64.34 63.62 2yru n VAL 18 Cb 0.88 -0.28 -0.07 0.00 -0.91 0.00 0.00 33.84 33.46 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 -2.54 0.61 0.08 7.52 7.99 0.15 -3.14 117.00 127.68 2yru n LEU 19 Ca -0.09 0.25 -0.13 0.00 -0.01 0.00 0.00 56.01 56.04 2yru n LEU 19 Cb 0.71 0.03 -0.07 0.00 -0.11 0.00 0.00 43.42 43.98 2yru n LEU 19 CO 0.44 -0.00 0.83 0.03 -1.51 0.00 0.00 177.39 177.17 2yru h ARG 20 N 0.00 -0.15 -0.04 3.23 2.47 -1.64 0.75 114.38 119.01 2yru h ARG 20 Ca -0.09 0.01 -0.15 0.00 -1.26 0.00 0.00 59.98 58.49 2yru h ARG 20 Cb 1.26 0.03 0.01 0.00 -1.65 0.00 0.00 29.97 29.63 2yru h ARG 20 CO 0.02 -0.10 -0.58 -1.00 0.56 0.00 0.00 179.97 178.87 2yru h PRO 21 N -0.15 0.45 -0.61 0.04 0.13 -1.73 -1.85 132.00 128.28 2yru h PRO 21 Ca -0.00 -0.44 0.12 0.00 -0.87 0.00 0.00 66.00 64.81 2yru h PRO 21 Cb 0.14 0.11 -0.09 0.00 0.13 0.00 0.00 31.00 31.29 2yru h PRO 21 CO -0.00 1.09 0.11 -0.07 -0.23 0.00 0.00 178.00 178.90 2yru h LEU 22 N -0.02 -0.04 -0.42 1.56 3.38 -1.50 0.28 115.31 118.56 2yru h LEU 22 Ca -0.06 0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 2yru h LEU 22 Cb 1.26 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 2yru h LEU 22 CO 0.12 -0.01 -0.22 -0.33 0.09 0.00 0.00 178.44 178.08 2yru h GLU 23 N 0.24 0.89 -0.51 1.13 5.08 -0.88 -2.58 114.58 117.95 2yru h GLU 23 Ca 0.32 -0.40 0.15 0.00 -1.00 0.00 0.00 59.36 58.43 2yru h GLU 23 Cb 0.50 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2yru h GLU 23 CO -0.43 1.05 0.40 1.96 -1.00 0.00 0.00 179.01 180.99 2yru h GLN 24 N 0.71 0.00 0.06 2.33 1.08 -0.13 0.10 115.11 119.27 2yru h GLN 24 Ca 0.09 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.14 2yru h GLN 24 Cb 0.79 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.24 2yru h GLN 24 CO 0.07 0.00 -0.64 0.00 -0.95 0.00 0.00 178.83 177.31 2yru h ALA 25 N 1.67 0.00 0.19 3.87 0.00 -0.73 -3.19 119.26 121.08 2yru h ALA 25 Ca 0.24 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2yru h ALA 25 Cb 1.05 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2yru h ALA 25 CO -0.00 0.33 -0.13 1.25 0.00 0.00 0.00 179.25 180.70 2yru h LEU 26 N -0.28 -0.32 -1.05 0.00 5.85 -0.55 0.40 115.31 119.37 2yru h LEU 26 Ca -0.10 0.02 0.38 0.00 0.84 0.00 0.00 57.88 59.02 2yru h LEU 26 Cb 1.41 0.09 -0.13 0.00 0.37 0.00 0.00 40.66 42.41 2yru h LEU 26 CO 0.12 -0.19 0.65 -1.84 -0.34 0.00 0.00 178.44 176.84 2yru n GLU 27 N -2.99 -0.04 0.00 1.25 -0.00 -0.01 0.20 120.64 119.05 2yru n GLU 27 Ca -0.04 1.07 -0.12 0.00 -0.00 0.00 0.00 57.16 58.08 2yru n GLU 27 Cb 0.13 -2.05 -0.09 0.00 -0.00 0.00 0.00 31.44 29.42 2yru n GLU 27 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 2yru h ASP 28 N 0.00 -0.08 -0.91 -1.84 5.19 -1.37 -3.11 116.42 114.30 2yru h ASP 28 Ca 0.72 -0.54 0.23 0.00 -0.62 0.00 0.00 57.03 56.83 2yru h ASP 28 Cb 2.20 0.02 -0.06 0.00 0.18 0.00 0.00 39.33 41.68 2yru h ASP 28 CO -0.47 0.56 0.62 0.00 -3.12 0.00 0.00 179.24 176.83 2yru n HIS 30 N -4.43 -0.44 -1.40 0.00 -0.00 0.17 0.17 115.22 109.29 2yru n HIS 30 Ca 0.19 1.24 -0.25 0.00 -0.00 0.00 0.00 57.72 58.91 2yru n HIS 30 Cb 0.81 -0.58 -0.06 0.00 -0.00 0.00 0.00 29.99 30.17 2yru n HIS 30 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2yru n GLY 31 N -1.25 4.22 1.30 1.57 0.00 -0.51 -4.32 105.19 106.20 2yru n GLY 31 Ca 0.02 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.27 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 0.95 -1.62 -2.32 1.61 -0.00 0.18 -5.08 115.22 108.94 2yru n HIS 32 Ca 0.47 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.82 2yru n HIS 32 Cb 0.58 0.32 -0.02 0.00 -0.00 0.00 0.00 29.99 30.88 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 -0.85 3.25 0.81 1.59 2.01 0.44 -4.97 115.64 117.91 2yru s THR 33 Ca 0.00 0.93 -0.15 0.00 0.31 0.00 0.00 61.69 62.78 2yru s THR 33 Cb 0.00 -3.46 -0.00 0.00 0.01 0.00 0.00 72.50 69.05 2yru s THR 33 CO 0.00 -0.02 0.56 0.29 -0.69 0.00 0.00 174.62 174.76 2yru n LYS 34 N -0.47 0.10 0.40 4.92 5.02 -1.26 -4.62 118.16 122.25 2yru n LYS 34 Ca 0.07 0.08 -0.16 0.00 -2.02 0.00 0.00 58.31 56.28 2yru n LYS 34 Cb 0.49 -1.91 -0.08 0.00 -0.02 0.00 0.00 35.03 33.51 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 -0.83 -1.01 -0.95 1.97 3.11 -1.93 0.33 116.57 117.27 2yru h LYS 35 Ca -0.45 0.07 0.28 0.00 -2.81 0.00 0.00 60.65 57.74 2yru h LYS 35 Cb 1.32 0.23 -0.18 0.00 -1.00 0.00 0.00 32.23 32.60 2yru h LYS 35 CO 0.40 -0.67 0.09 1.04 -2.81 0.00 0.00 179.45 177.50 2yru n GLN 36 N -5.46 -0.07 0.09 1.90 6.02 -1.26 0.16 117.38 118.76 2yru n GLN 36 Ca -0.13 1.40 -0.13 0.00 -0.01 0.00 0.00 57.00 58.14 2yru n GLN 36 Cb 0.41 -2.27 -0.08 0.00 1.02 0.00 0.00 30.24 29.32 2yru n GLN 36 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2yru h VAL 37 N 0.00 0.91 -0.14 5.09 2.07 -1.89 -0.55 116.25 121.74 2yru h VAL 37 Ca 0.61 -0.72 0.05 0.00 0.82 0.00 0.00 66.70 67.46 2yru h VAL 37 Cb 1.31 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 32.35 2yru h VAL 37 CO -0.87 0.16 -0.31 0.00 0.02 0.00 0.00 177.57 176.57 2yru h ASP 39 N -0.38 0.65 0.56 0.00 1.82 0.16 0.67 116.42 119.90 2yru h ASP 39 Ca 0.10 0.06 -0.03 0.00 -0.39 0.00 0.00 57.03 56.77 2yru h ASP 39 Cb 0.53 -0.07 0.01 0.00 0.68 0.00 0.00 39.33 40.48 2yru h ASP 39 CO -0.36 0.28 -0.27 -0.78 -1.61 0.00 0.00 179.24 176.51 2yru h ASP 40 N 0.66 -0.64 -0.01 2.28 3.58 0.12 -1.32 116.42 121.09 2yru h ASP 40 Ca 0.50 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.97 2yru h ASP 40 Cb 0.88 0.17 -0.06 0.00 1.72 0.00 0.00 39.33 42.04 2yru h ASP 40 CO -0.25 -0.24 -0.51 0.40 -2.88 0.00 0.00 179.24 175.76 2yru h ILE 41 N -1.17 0.03 -0.63 2.25 2.04 0.19 -0.84 117.51 119.38 2yru h ILE 41 Ca -0.08 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.89 2yru h ILE 41 Cb 0.60 0.03 -0.12 0.00 -0.74 0.00 0.00 36.82 36.60 2yru h ILE 41 CO 0.13 0.00 -0.35 0.77 0.00 0.00 0.00 178.15 178.70 2yru h SER 42 N -0.65 -1.22 -0.96 1.72 4.64 0.24 0.60 113.55 117.93 2yru h SER 42 Ca 0.02 0.24 0.24 0.00 -0.47 0.00 0.00 61.79 61.82 2yru h SER 42 Cb 0.71 0.60 -0.12 0.00 -0.31 0.00 0.00 62.40 63.28 2yru h SER 42 CO -0.36 -0.31 0.51 0.03 -0.87 0.00 0.00 176.83 175.84 2yru h ARG 43 N -0.15 0.48 -0.00 4.77 3.08 -0.26 1.14 114.38 123.43 2yru h ARG 43 Ca 0.24 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.19 2yru h ARG 43 Cb 0.56 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 2yru h ARG 43 CO -0.71 0.32 -0.32 0.00 -1.07 0.00 0.00 179.97 178.19 2yru h ARG 44 N 0.50 0.01 0.46 0.04 2.47 0.15 -3.05 114.38 114.95 2yru h ARG 44 Ca 0.61 -0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 59.31 2yru h ARG 44 Cb 1.16 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 2yru h ARG 44 CO -0.50 0.32 -0.22 -0.07 0.56 0.00 0.00 179.97 180.06 2yru h LEU 45 N 0.00 -0.53 -1.82 3.04 3.38 0.28 -1.06 115.31 118.61 2yru h LEU 45 Ca -0.00 -0.09 0.46 0.00 0.09 0.00 0.00 57.88 58.34 2yru h LEU 45 Cb 0.57 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.39 2yru h LEU 45 CO 0.04 -0.15 1.25 0.00 0.09 0.00 0.00 178.44 179.67 2yru h ALA 46 N -0.67 3.51 0.02 1.53 0.00 -1.11 0.32 119.26 122.85 2yru h ALA 46 Ca -0.06 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2yru h ALA 46 Cb 0.58 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2yru h ALA 46 CO 0.10 -2.07 -0.01 1.25 0.00 0.00 0.00 179.25 178.52 2yru h LEU 47 N 0.00 -0.02 -1.65 0.00 6.46 -1.42 -2.06 115.31 116.62 2yru h LEU 47 Ca 0.76 0.00 0.47 0.00 -0.12 0.00 0.00 57.88 58.99 2yru h LEU 47 Cb 3.24 0.01 -0.10 0.00 -0.73 0.00 0.00 40.66 43.07 2yru h LEU 47 CO -0.01 0.33 1.03 0.25 -0.62 0.00 0.00 178.44 179.42 2yru h LEU 48 N -0.73 0.14 -0.01 2.25 5.85 0.77 1.84 115.31 125.44 2yru h LEU 48 Ca -0.00 0.08 -0.16 0.00 0.84 0.00 0.00 57.88 58.64 2yru h LEU 48 Cb 0.02 0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.14 2yru h LEU 48 CO 0.00 -0.10 -0.61 -0.09 -0.34 0.00 0.00 178.44 177.30 2yru h ARG 49 N 0.05 0.42 -0.43 1.25 2.43 -0.67 0.08 114.38 117.51 2yru h ARG 49 Ca 0.83 -0.45 -0.09 0.00 -0.81 0.00 0.00 59.98 59.46 2yru h ARG 49 Cb 2.91 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 32.57 2yru h ARG 49 CO -0.25 1.11 -0.07 1.05 -1.51 0.00 0.00 179.97 180.30 2yru h GLU 50 N -0.08 0.81 -0.39 0.20 4.11 0.30 0.21 114.58 119.73 2yru h GLU 50 Ca -0.07 -0.29 -0.15 0.00 0.07 0.00 0.00 59.36 58.91 2yru h GLU 50 Cb 1.32 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 2yru h GLU 50 CO 0.12 0.91 -0.34 1.96 0.07 0.00 0.00 179.01 181.73 2yru h GLN 51 N 0.64 0.91 0.60 1.06 4.20 0.12 1.53 115.11 124.16 2yru h GLN 51 Ca 0.11 -0.45 -0.03 0.00 0.06 0.00 0.00 58.65 58.34 2yru h GLN 51 Cb 0.59 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.38 2yru h GLN 51 CO 0.04 1.11 -0.29 2.35 -0.67 0.00 0.00 178.83 181.37 2yru h TRP 52 N 0.76 -0.74 0.75 2.96 2.91 -0.84 0.30 115.95 122.05 2yru h TRP 52 Ca 0.07 -0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.04 2yru h TRP 52 Cb 0.92 0.25 0.01 0.00 -0.51 0.00 0.00 29.16 29.83 2yru h TRP 52 CO 0.06 -0.41 -0.36 0.00 -1.03 0.00 0.00 178.44 176.70 2yru h ALA 53 N -0.81 -1.01 -1.59 2.65 0.00 -0.60 -2.63 119.26 115.27 2yru h ALA 53 Ca -0.08 -0.23 0.48 0.00 0.00 0.00 0.00 54.91 55.08 2yru h ALA 53 Cb 0.67 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 2yru h ALA 53 CO 0.13 -0.98 1.12 0.41 0.00 0.00 0.00 179.25 179.94 2yru n GLY 54 N -1.02 -0.83 0.69 0.00 0.00 0.52 -4.68 105.19 99.88 2yru n GLY 54 Ca -0.13 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 -1.71 1.09 0.21 -0.02 0.00 -0.88 -4.96 105.19 98.91 2yru n GLY 55 Ca 0.38 -0.35 0.12 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 -1.72 0.65 -3.65 1.61 4.76 0.10 -4.85 118.16 115.06 2yru n LYS 56 Ca 0.00 -0.42 -0.37 0.00 -2.87 0.00 0.00 58.31 54.65 2yru n LYS 56 Cb 0.08 -1.49 -0.06 0.00 -1.84 0.00 0.00 35.03 31.72 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 -2.64 4.39 0.70 -0.35 1.43 -0.89 -4.97 118.68 116.36 2yru s LEU 57 Ca 0.20 0.68 -0.12 0.00 -1.03 0.00 0.00 54.13 53.86 2yru s LEU 57 Cb 0.18 -2.35 0.02 0.00 0.03 0.00 0.00 46.19 44.07 2yru s LEU 57 CO 0.59 0.31 1.07 -0.55 0.23 0.00 0.00 176.35 178.00 2yru s SER 58 N -0.73 5.12 0.14 2.29 0.15 -1.26 -4.92 113.70 114.50 2yru s SER 58 Ca 0.19 1.75 -0.16 0.00 0.70 0.00 0.00 55.95 58.43 2yru s SER 58 Cb -0.14 -2.52 0.01 0.00 -1.71 0.00 0.00 66.02 61.66 2yru s SER 58 CO 0.08 -1.62 1.74 0.40 1.20 0.00 0.00 173.24 175.04 2yru h ILE 59 N -0.60 1.16 0.00 6.45 2.04 -1.99 -0.78 117.51 123.80 2yru h ILE 59 Ca -0.44 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 64.97 2yru h ILE 59 Cb 1.22 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 2yru h ILE 59 CO 0.55 0.17 0.00 -0.81 0.00 0.00 0.00 178.15 178.06 2yru n PRO 60 N -4.70 0.50 0.03 2.37 -0.04 -1.26 -2.17 135.00 129.73 2yru n PRO 60 Ca 0.00 0.04 -0.00 0.00 -0.04 0.00 0.00 63.50 63.50 2yru n PRO 60 Cb 0.09 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.97 2yru n PRO 60 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2yru n VAL 61 N -1.16 1.17 0.02 0.52 0.31 -0.35 -3.09 118.33 115.76 2yru n VAL 61 Ca 0.14 -0.69 -0.22 0.00 -0.01 0.00 0.00 64.34 63.55 2yru n VAL 61 Cb 0.14 -0.72 -0.14 0.00 -0.91 0.00 0.00 33.84 32.21 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 0.29 -0.65 5.55 1.57 -0.98 -2.99 116.57 119.37 2yru h LYS 62 Ca -0.17 -0.50 -0.02 0.00 -1.87 0.00 0.00 60.65 58.09 2yru h LYS 62 Cb 1.60 0.18 -0.03 0.00 0.08 0.00 0.00 32.23 34.06 2yru h LYS 62 CO 0.04 1.24 0.32 0.87 -0.57 0.00 0.00 179.45 181.35 2yru h LYS 63 N -0.08 0.91 0.00 3.15 6.56 -1.60 0.07 116.57 125.59 2yru h LYS 63 Ca -0.36 -0.11 -0.09 0.00 -1.06 0.00 0.00 60.65 59.03 2yru h LYS 63 Cb 1.94 -0.18 -0.01 0.00 -0.57 0.00 0.00 32.23 33.41 2yru h LYS 63 CO 0.09 0.69 -0.42 0.00 -2.06 0.00 0.00 179.45 177.76 2yru h ARG 64 N 0.91 0.00 0.17 3.15 3.08 -1.66 -3.03 114.38 116.99 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 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2yru h ARG 64 CO -0.03 0.42 -0.08 0.52 -1.07 0.00 0.00 179.97 179.73 2yru h MET 65 N 0.00 -0.21 -1.01 0.04 2.86 -1.01 -3.11 114.93 112.48 2yru h MET 65 Ca -0.00 0.01 0.24 0.00 -2.06 0.00 0.00 59.70 57.89 2yru h MET 65 Cb 1.01 0.05 -0.10 0.00 0.06 0.00 0.00 31.60 32.61 2yru h MET 65 CO 0.05 0.20 0.63 0.00 1.06 0.00 0.00 176.91 178.86 2yru h ALA 66 N -0.36 1.99 0.18 6.32 0.00 -1.10 -0.63 119.26 125.65 2yru h ALA 66 Ca -0.02 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2yru h ALA 66 Cb 0.52 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2yru h ALA 66 CO 0.04 -0.40 -0.24 -0.07 0.00 0.00 0.00 179.25 178.58 2yru h LEU 67 N 0.53 -0.67 -0.94 0.00 3.38 -1.54 1.16 115.31 117.22 2yru h LEU 67 Ca 0.60 0.06 0.24 0.00 0.09 0.00 0.00 57.88 58.87 2yru h LEU 67 Cb 1.28 0.23 -0.13 0.00 0.09 0.00 0.00 40.66 42.13 2yru h LEU 67 CO -0.36 -0.30 0.47 0.25 0.09 0.00 0.00 178.44 178.59 2yru h LEU 68 N -0.44 0.44 0.59 1.67 6.46 -1.18 -0.76 115.31 122.10 2yru h LEU 68 Ca -0.02 0.16 -0.03 0.00 -0.12 0.00 0.00 57.88 57.86 2yru h LEU 68 Cb 0.39 0.11 0.01 0.00 -0.73 0.00 0.00 40.66 40.44 2yru h LEU 68 CO -0.06 0.01 -0.29 0.58 -0.62 0.00 0.00 178.44 178.06 2yru h VAL 69 N 0.44 0.00 -1.02 1.05 2.07 -0.24 -0.50 116.25 118.06 2yru h VAL 69 Ca 0.61 -0.05 0.41 0.00 0.82 0.00 0.00 66.70 68.48 2yru h VAL 69 Cb 1.19 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.80 2yru h VAL 69 CO -0.53 0.00 0.58 0.00 0.02 0.00 0.00 177.57 177.64 2yru n GLN 70 N -4.29 -0.05 0.07 1.57 1.13 0.39 0.12 117.38 116.32 2yru n GLN 70 Ca -0.10 1.27 -0.13 0.00 -1.94 0.00 0.00 57.00 56.10 2yru n GLN 70 Cb 0.31 -2.32 -0.09 0.00 0.11 0.00 0.00 30.24 28.26 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 -0.19 -0.72 -1.09 4.39 -0.85 -2.62 114.58 113.49 2yru h GLU 71 Ca 0.80 0.01 0.21 0.00 0.34 0.00 0.00 59.36 60.73 2yru h GLU 71 Cb 2.23 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 30.90 2yru h GLU 71 CO -0.66 0.20 0.64 1.25 -1.16 0.00 0.00 179.01 179.28 2yru h LEU 72 N -0.63 0.00 -0.04 1.33 6.46 0.26 0.53 115.31 123.22 2yru h LEU 72 Ca -0.02 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.72 2yru h LEU 72 Cb 0.48 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.41 2yru h LEU 72 CO 0.03 0.00 -0.07 -0.07 -0.62 0.00 0.00 178.44 177.72 2yru h LEU 73 N 0.00 0.13 0.00 2.25 3.38 -0.73 -2.76 115.31 117.58 2yru h LEU 73 Ca 0.34 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2yru h LEU 73 Cb 1.62 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.33 2yru h LEU 73 CO -0.00 0.65 0.00 1.41 0.09 0.00 0.00 178.44 180.59 2yru n HIS 74 N -4.72 0.00 -0.52 1.13 8.25 0.14 -4.82 115.22 114.69 2yru n HIS 74 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2yru n HIS 74 Cb 0.32 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.34 2yru n HIS 74 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2yru n HIS 75 N -1.09 0.00 -1.23 4.41 8.25 0.12 -4.93 115.22 120.75 2yru n HIS 75 Ca 0.17 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.27 2yru n HIS 75 Cb 0.12 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.15 2yru n HIS 75 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2yru n GLN 76 N -2.00 0.83 -0.14 -0.41 1.13 0.72 -4.57 117.38 112.93 2yru n GLN 76 Ca 0.00 -1.71 -0.09 0.00 -1.94 0.00 0.00 57.00 53.26 2yru n GLN 76 Cb 0.00 -3.15 0.05 0.00 0.11 0.00 0.00 30.24 27.25 2yru n GLN 76 CO 0.00 0.00 0.00 -1.49 -1.44 0.00 0.00 177.06 174.13 2yru h TRP 77 N 9.56 1.05 -0.92 1.08 4.06 -1.92 -0.64 115.95 128.22 2yru h TRP 77 Ca 0.26 -0.23 0.14 0.00 2.06 0.00 0.00 58.89 61.12 2yru h TRP 77 Cb 0.79 -0.25 -0.08 0.00 -1.00 0.00 0.00 29.16 28.62 2yru h TRP 77 CO 1.12 1.01 0.59 -0.44 -3.56 0.00 0.00 178.44 177.17 2yru h ASP 78 N 0.82 0.74 0.01 -3.49 5.19 -1.97 -0.34 116.42 117.38 2yru h ASP 78 Ca 0.12 0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.57 2yru h ASP 78 Cb 0.71 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.11 2yru h ASP 78 CO 0.05 0.38 -0.00 0.00 -3.12 0.00 0.00 179.24 176.55 2yru h ALA 79 N 1.58 -0.01 -0.82 3.45 0.00 -1.81 -2.37 119.26 119.28 2yru h ALA 79 Ca 0.46 -0.35 0.15 0.00 0.00 0.00 0.00 54.91 55.17 2yru h ALA 79 Cb 0.64 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.29 2yru h ALA 79 CO -0.23 -0.15 -0.29 0.00 0.00 0.00 0.00 179.25 178.59 2yru h ALA 80 N 0.24 0.30 0.14 0.00 0.00 -0.15 0.43 119.26 120.22 2yru h ALA 80 Ca -0.00 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2yru h ALA 80 Cb 0.70 0.77 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2yru h ALA 80 CO 0.00 -0.53 -0.07 0.22 0.00 0.00 0.00 179.25 178.88 2yru h ASP 81 N -0.04 -0.16 -0.59 0.00 1.82 -1.15 0.97 116.42 117.27 2yru h ASP 81 Ca 0.35 -0.00 0.10 0.00 -0.39 0.00 0.00 57.03 57.09 2yru h ASP 81 Cb 0.60 0.04 -0.11 0.00 0.68 0.00 0.00 39.33 40.53 2yru h ASP 81 CO -0.85 -0.10 -0.34 -0.78 -1.61 0.00 0.00 179.24 175.56 2yru h ASP 82 N -0.19 -1.16 -0.00 2.28 3.58 0.17 1.40 116.42 122.50 2yru h ASP 82 Ca -0.02 0.23 -0.00 0.00 0.42 0.00 0.00 57.03 57.66 2yru h ASP 82 Cb 0.15 0.58 -0.00 0.00 1.72 0.00 0.00 39.33 41.77 2yru h ASP 82 CO 0.03 -0.30 0.00 0.40 -2.88 0.00 0.00 179.24 176.49 2yru h ILE 83 N -0.16 1.22 -1.01 2.25 2.04 -0.07 -0.68 117.51 121.11 2yru h ILE 83 Ca 0.23 -0.66 0.24 0.00 1.00 0.00 0.00 64.86 65.67 2yru h ILE 83 Cb 0.55 1.67 -0.10 0.00 -0.74 0.00 0.00 36.82 38.20 2yru h ILE 83 CO -0.68 0.17 0.63 -0.74 0.00 0.00 0.00 178.15 177.53 2yru h HIS 84 N -0.27 0.83 0.17 1.37 -0.00 0.27 -0.11 115.15 117.41 2yru h HIS 84 Ca 0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 2yru h HIS 84 Cb 0.28 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 27.45 2yru h HIS 84 CO 0.02 0.12 -0.08 0.00 -0.00 0.00 0.00 177.93 177.98 2yru h ARG 85 N 0.53 -0.22 -1.15 5.26 2.47 0.22 -1.80 114.38 119.69 2yru h ARG 85 Ca 0.59 0.02 0.33 0.00 -1.26 0.00 0.00 59.98 59.66 2yru h ARG 85 Cb 1.25 0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 29.58 2yru h ARG 85 CO -0.35 0.18 0.83 0.77 0.56 0.00 0.00 179.97 181.96 2yru h SER 86 N -0.73 0.00 0.08 7.04 0.02 0.46 0.77 113.55 121.19 2yru h SER 86 Ca -0.02 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.71 2yru h SER 86 Cb 0.51 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.07 2yru h SER 86 CO 0.04 0.00 -0.89 -0.07 -1.14 0.00 0.00 176.83 174.77 2yru h LEU 87 N 0.00 0.65 0.00 5.07 3.38 -0.94 -3.10 115.31 120.38 2yru h LEU 87 Ca 0.55 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2yru h LEU 87 Cb 2.19 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.74 2yru h LEU 87 CO -0.01 1.41 0.00 0.23 0.09 0.00 0.00 178.44 180.16 2yru n MET 88 N -4.04 0.03 0.03 1.13 2.81 0.24 -0.80 117.12 116.54 2yru n MET 88 Ca -0.12 0.28 -0.03 0.00 -1.81 0.00 0.00 57.70 56.02 2yru n MET 88 Cb 0.83 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.82 2yru n MET 88 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2yru h VAL 89 N 0.00 0.00 0.00 2.03 2.07 -0.81 -3.36 116.25 116.17 2yru h VAL 89 Ca 0.00 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.81 2yru h VAL 89 Cb 0.17 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 -0.01 0.47 0.02 0.00 0.00 177.57 178.05 2yru n ASP 90 N -4.46 0.02 -3.27 0.57 8.00 -1.16 -4.53 116.55 111.72 2yru n ASP 90 Ca -0.02 0.15 -0.33 0.00 0.71 0.00 0.00 54.79 55.30 2yru n ASP 90 Cb 0.07 -0.50 -0.02 0.00 -0.02 0.00 0.00 41.12 40.64 2yru n ASP 90 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2yru n HIS 91 N -2.38 2.04 0.05 1.24 8.25 0.02 -4.39 115.22 120.06 2yru n HIS 91 Ca -0.00 -2.65 -0.20 0.00 -0.26 0.00 0.00 57.72 54.61 2yru n HIS 91 Cb 0.00 -2.18 -0.14 0.00 1.12 0.00 0.00 29.99 28.80 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 3.21 1.47 0.11 1.59 3.04 -1.62 -3.01 116.25 121.04 2yru h VAL 92 Ca 0.72 -2.47 -0.01 0.00 -1.01 0.00 0.00 66.70 63.94 2yru h VAL 92 Cb 0.25 3.06 0.00 0.00 -2.01 0.00 0.00 31.29 32.59 2yru h VAL 92 CO 1.66 0.71 -0.05 0.74 -1.01 0.00 0.00 177.57 179.62 2yru h THR 93 N -0.25 1.06 -0.62 3.17 2.02 -1.89 -1.34 112.91 115.07 2yru h THR 93 Ca -0.14 -1.20 0.11 0.00 0.77 0.00 0.00 66.41 65.95 2yru h THR 93 Cb 1.65 1.76 -0.12 0.00 -1.74 0.00 0.00 68.15 69.70 2yru h THR 93 CO 0.16 0.27 -0.33 -0.33 0.37 0.00 0.00 175.52 175.65 2yru h GLU 94 N -0.76 -0.14 -0.18 6.66 5.08 -1.90 0.74 114.58 124.07 2yru h GLU 94 Ca -0.02 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2yru h GLU 94 Cb 0.55 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2yru h GLU 94 CO 0.03 -0.10 -0.13 -0.39 -1.00 0.00 0.00 179.01 177.42 2yru h VAL 95 N -0.15 1.19 -2.39 3.13 -1.51 -1.60 -3.44 116.25 111.48 2yru h VAL 95 Ca 0.24 -0.85 -0.42 0.00 -1.23 0.00 0.00 66.70 64.44 2yru h VAL 95 Cb 0.55 1.20 0.22 0.00 -2.13 0.00 0.00 31.29 31.13 2yru h VAL 95 CO -0.70 0.27 -0.82 -1.54 -1.23 0.00 0.00 177.57 173.55 2yru n SER 96 N -4.25 -2.47 0.00 4.19 3.41 0.26 0.12 113.62 114.88 2yru n SER 96 Ca -0.00 -0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 2yru n SER 96 Cb 0.28 -0.97 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 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 -2.66 -0.07 0.00 4.33 6.02 -1.26 -4.17 117.38 119.56 2yru n GLN 97 Ca 0.02 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 2yru n GLN 97 Cb 0.58 -3.02 0.00 0.00 1.02 0.00 0.00 30.24 28.82 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 -2.12 -0.73 -0.32 1.08 4.27 -1.18 -4.82 117.44 113.61 2yru n TRP 98 Ca 0.00 0.00 0.05 0.00 -3.89 0.00 0.00 57.50 53.66 2yru n TRP 98 Cb 0.02 0.15 0.12 0.00 -1.36 0.00 0.00 31.31 30.24 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 -1.68 -0.08 -0.32 -2.67 1.56 0.33 0.20 117.12 114.45 2yru n MET 99 Ca 0.00 1.40 0.20 0.00 -0.27 0.00 0.00 57.70 59.03 2yru n MET 99 Cb 0.00 -2.09 0.38 0.00 2.15 0.00 0.00 33.22 33.66 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 0.11 0.00 1.12 -1.51 -1.92 0.36 116.25 114.41 2yru h VAL 100 Ca 0.43 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 65.87 2yru h VAL 100 Cb 0.65 0.02 0.00 0.00 -2.13 0.00 0.00 31.29 29.83 2yru h VAL 100 CO -0.92 0.01 0.00 0.61 -1.23 0.00 0.00 177.57 176.04 2yru n GLY 101 N -1.39 -2.25 0.38 5.19 0.00 0.53 -2.36 105.19 105.29 2yru n GLY 101 Ca 0.27 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.30 2yru n GLY 101 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2yru h VAL 102 N 0.00 0.00 -0.95 1.61 2.07 -1.14 0.54 116.25 118.38 2yru h VAL 102 Ca 0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 2yru h VAL 102 Cb 0.00 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.64 2yru h VAL 102 CO 0.00 0.00 -0.50 0.50 0.02 0.00 0.00 177.57 177.59 2yru h LYS 103 N -0.00 -0.03 -0.18 1.57 3.11 -0.33 0.42 116.57 121.13 2yru h LYS 103 Ca 0.38 0.00 0.03 0.00 -2.81 0.00 0.00 60.65 58.26 2yru h LYS 103 Cb 0.64 0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.84 2yru h LYS 103 CO -1.00 -0.02 -0.01 -0.09 -2.81 0.00 0.00 179.45 175.53 2yru h ARG 104 N -0.03 0.05 -0.87 1.90 9.65 0.39 -2.67 114.38 122.79 2yru h ARG 104 Ca 0.23 -0.00 0.10 0.00 -1.10 0.00 0.00 59.98 59.21 2yru h ARG 104 Cb 0.50 -0.01 -0.12 0.00 -1.39 0.00 0.00 29.97 28.95 2yru h ARG 104 CO -0.93 0.03 -0.53 1.25 2.80 0.00 0.00 179.97 182.59 2yru h LEU 105 N 0.05 -1.91 -0.59 3.80 5.85 0.15 0.89 115.31 123.55 2yru h LEU 105 Ca 0.08 0.31 0.05 0.00 0.84 0.00 0.00 57.88 59.16 2yru h LEU 105 Cb 0.11 0.86 -0.08 0.00 0.37 0.00 0.00 40.66 41.92 2yru h LEU 105 CO -0.15 -0.28 -0.40 0.40 -0.34 0.00 0.00 178.44 177.68 2yru h ILE 106 N -0.08 0.00 -0.75 4.05 2.04 -0.72 0.55 117.51 122.61 2yru h ILE 106 Ca 0.19 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.16 2yru h ILE 106 Cb 0.49 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.44 2yru h ILE 106 CO -0.88 0.00 -0.42 0.00 0.00 0.00 0.00 178.15 176.85 2yru h ALA 107 N -0.08 -0.16 0.11 1.87 0.00 -0.82 0.36 119.26 120.53 2yru h ALA 107 Ca 0.10 0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.18 2yru h ALA 107 Cb 0.31 0.99 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 2yru h ALA 107 CO -0.59 -0.76 -0.47 0.93 0.00 0.00 0.00 179.25 178.36 2yru h GLU 108 N -0.13 -0.65 -0.67 0.00 4.39 0.11 0.22 114.58 117.84 2yru h GLU 108 Ca 0.23 0.04 0.11 0.00 0.34 0.00 0.00 59.36 60.09 2yru h GLU 108 Cb 0.55 0.15 -0.12 0.00 -0.10 0.00 0.00 28.75 29.23 2yru h GLU 108 CO -0.80 -0.43 -0.35 0.87 -1.16 0.00 0.00 179.01 177.14 2yru h LYS 109 N -0.67 -0.13 -0.46 2.33 1.79 0.15 0.39 116.57 119.97 2yru h LYS 109 Ca -0.01 0.01 0.09 0.00 -2.18 0.00 0.00 60.65 58.56 2yru h LYS 109 Cb 0.68 0.03 -0.09 0.00 -1.58 0.00 0.00 32.23 31.27 2yru h LYS 109 CO -0.26 -0.08 -0.10 -0.22 -1.08 0.00 0.00 179.45 177.70 2yru h LYS 110 N -0.13 0.01 -0.49 3.15 3.64 0.38 -0.94 116.57 122.19 2yru h LYS 110 Ca 0.25 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.73 2yru h LYS 110 Cb 0.56 -0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.28 2yru h LYS 110 CO -0.74 0.01 -0.31 1.03 -2.27 0.00 0.00 179.45 177.17 2yru h SER 111 N 0.01 -1.04 -0.32 4.20 0.87 0.30 0.04 113.55 117.62 2yru h SER 111 Ca 0.22 0.20 0.03 0.00 -1.23 0.00 0.00 61.79 61.02 2yru h SER 111 Cb 0.34 0.51 -0.05 0.00 -0.44 0.00 0.00 62.40 62.76 2yru h SER 111 CO -0.46 -0.30 -0.29 -0.07 -0.53 0.00 0.00 176.83 175.17 2yru h LEU 112 N -0.19 -1.01 -0.29 2.23 3.38 0.21 -1.81 115.31 117.82 2yru h LEU 112 Ca 0.21 0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.35 2yru h LEU 112 Cb 0.53 0.43 -0.06 0.00 0.09 0.00 0.00 40.66 41.64 2yru h LEU 112 CO -0.59 -0.18 -0.43 0.28 0.09 0.00 0.00 178.44 177.60 2yru h SER 113 N -0.13 -1.44 -3.54 -0.43 0.02 -1.01 -3.48 113.55 103.54 2yru h SER 113 Ca 0.05 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2yru h SER 113 Cb 0.27 0.59 0.00 0.00 0.14 0.00 0.00 62.40 63.40 2yru h SER 113 CO -0.37 -0.32 -0.07 0.61 -1.14 0.00 0.00 176.83 175.54 2yru n GLY 114 N -1.30 -0.71 3.81 -3.77 0.00 -0.08 -5.03 105.19 98.11 2yru n GLY 114 Ca -0.03 0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 2yru n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yru s PRO 115 N -2.04 3.49 0.05 1.61 0.04 -1.26 -4.94 135.00 131.94 2yru s PRO 115 Ca 0.03 1.22 -0.34 0.00 0.04 0.00 0.00 61.00 61.95 2yru s PRO 115 Cb -0.01 -2.06 -0.13 0.00 0.04 0.00 0.00 34.50 32.34 2yru s PRO 115 CO 0.18 -0.67 1.71 -1.13 0.04 0.00 0.00 177.00 177.12 2yru n SER 116 N -1.75 3.22 -4.69 6.66 3.41 -1.26 -4.92 113.62 114.29 2yru n SER 116 Ca 0.09 1.03 -0.31 0.00 -0.26 0.00 0.00 58.87 59.42 2yru n SER 116 Cb 0.53 -1.40 0.15 0.00 -0.26 0.00 0.00 64.21 63.23 2yru n SER 116 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2yru s SER 117 N 2.33 3.26 0.00 4.04 0.01 -1.26 -5.32 113.70 116.75 2yru s SER 117 Ca 0.85 2.12 0.00 0.00 1.31 0.00 0.00 55.95 60.23 2yru s SER 117 Cb -0.69 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 62.98 2yru s SER 117 CO 0.44 -2.88 0.00 0.61 0.41 0.00 0.00 173.24 171.83