#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gyh s ARG 2 N 0.00 1.78 0.14 2.12 0.52 -1.26 -4.84 118.95 117.41 3gyh s ARG 2 Ca 0.00 1.49 -0.14 0.00 -0.52 0.00 0.00 55.73 56.57 3gyh s ARG 2 Cb 0.00 -1.82 0.01 0.00 0.52 0.00 0.00 34.95 33.66 3gyh s ARG 2 CO 0.00 -2.05 1.62 0.52 0.02 0.00 0.00 175.30 175.40 3gyh h MET 3 N -1.11 0.78 -0.56 3.54 2.86 -2.05 -1.36 114.93 117.03 3gyh h MET 3 Ca -0.45 -0.22 0.16 0.00 -2.06 0.00 0.00 59.70 57.14 3gyh h MET 3 Cb 1.26 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.81 3gyh h MET 3 CO 0.47 0.80 0.55 0.38 1.06 0.00 0.00 176.91 180.18 3gyh h ASP 4 N 0.64 0.00 0.07 1.22 3.04 -1.99 0.16 116.42 119.55 3gyh h ASP 4 Ca 0.14 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.93 3gyh h ASP 4 Cb 0.41 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.70 3gyh h ASP 4 CO 0.01 0.00 -0.03 -0.33 -2.04 0.00 0.00 179.24 176.85 3gyh h GLU 5 N 0.00 -0.09 -0.54 4.15 5.08 -1.64 -3.15 114.58 118.39 3gyh h GLU 5 Ca 0.27 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.70 3gyh h GLU 5 Cb 1.37 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.56 3gyh h GLU 5 CO -0.00 -0.06 -0.25 0.34 -1.00 0.00 0.00 179.01 178.04 3gyh n PHE 6 N -3.35 -0.08 -0.19 4.33 7.35 -0.57 0.20 117.46 125.15 3gyh n PHE 6 Ca -0.01 0.66 0.00 0.00 -0.76 0.00 0.00 57.45 57.35 3gyh n PHE 6 Cb 0.04 -0.64 0.10 0.00 0.35 0.00 0.00 39.48 39.33 3gyh n PHE 6 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 3gyh h TYR 7 N 0.00 0.18 0.01 -5.13 -1.99 -0.84 -1.20 116.97 107.99 3gyh h TYR 7 Ca 0.15 0.04 -0.00 0.00 2.00 0.00 0.00 58.73 60.92 3gyh h TYR 7 Cb 0.28 0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.02 3gyh h TYR 7 CO -0.50 -0.04 -0.00 1.15 -0.00 0.00 0.00 178.16 178.77 3gyh h THR 8 N 0.24 1.37 -0.16 -2.88 2.02 -0.21 -1.48 112.91 111.81 3gyh h THR 8 Ca 0.31 -1.12 0.02 0.00 0.77 0.00 0.00 66.41 66.39 3gyh h THR 8 Cb 0.46 2.13 -0.03 0.00 -1.74 0.00 0.00 68.15 68.96 3gyh h THR 8 CO -0.41 0.29 -0.24 0.11 0.37 0.00 0.00 175.52 175.65 3gyh h LYS 9 N -0.49 -0.18 -0.61 6.66 1.57 -0.77 0.68 116.57 123.43 3gyh h LYS 9 Ca -0.00 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.86 3gyh h LYS 9 Cb 0.48 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.75 3gyh h LYS 9 CO 0.00 -0.12 -0.32 0.28 -0.57 0.00 0.00 179.45 178.72 3gyh n VAL 10 N -3.83 -0.39 0.11 0.50 0.31 -0.50 -0.07 118.33 114.46 3gyh n VAL 10 Ca -0.02 1.46 -0.13 0.00 -0.01 0.00 0.00 64.34 65.65 3gyh n VAL 10 Cb 0.15 -1.85 -0.06 0.00 -0.91 0.00 0.00 33.84 31.18 3gyh n VAL 10 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 3gyh h TYR 11 N 0.00 -0.69 -0.26 3.52 0.99 0.87 0.41 116.97 121.80 3gyh h TYR 11 Ca 0.13 0.01 0.05 0.00 2.00 0.00 0.00 58.73 60.93 3gyh h TYR 11 Cb 0.29 0.29 -0.08 0.00 1.00 0.00 0.00 36.73 38.23 3gyh h TYR 11 CO -0.60 -0.36 -0.47 -0.44 -0.00 0.00 0.00 178.16 176.29 3gyh h ASP 12 N -0.46 -1.53 -0.40 3.88 3.45 0.29 -0.22 116.42 121.43 3gyh h ASP 12 Ca 0.03 0.21 0.05 0.00 0.43 0.00 0.00 57.03 57.75 3gyh h ASP 12 Cb 0.49 0.63 -0.08 0.00 -0.56 0.00 0.00 39.33 39.81 3gyh h ASP 12 CO -0.15 -0.42 -0.55 0.00 -1.57 0.00 0.00 179.24 176.55 3gyh h ALA 13 N 0.10 -0.78 -0.21 3.45 0.00 0.46 -0.09 119.26 122.17 3gyh h ALA 13 Ca 0.09 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.05 3gyh h ALA 13 Cb 0.62 1.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 3gyh h ALA 13 CO -0.49 -1.04 0.22 0.28 0.00 0.00 0.00 179.25 178.21 3gyh h VAL 14 N -0.39 0.51 0.00 0.00 2.07 0.44 0.54 116.25 119.43 3gyh h VAL 14 Ca 0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.59 3gyh h VAL 14 Cb 0.59 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3gyh h VAL 14 CO -0.59 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.00 3gyh n GLU 16 N -1.29 3.25 -3.13 0.00 1.02 0.19 -4.90 120.64 115.78 3gyh n GLU 16 Ca 0.14 -2.51 -0.39 0.00 -0.02 0.00 0.00 57.16 54.37 3gyh n GLU 16 Cb 0.23 -1.76 -0.05 0.00 -0.02 0.00 0.00 31.44 29.84 3gyh n GLU 16 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3gyh s ILE 17 N -1.67 5.07 0.56 -3.67 1.01 -1.17 -5.05 121.20 116.28 3gyh s ILE 17 Ca 0.45 1.26 -0.17 0.00 0.00 0.00 0.00 60.65 62.19 3gyh s ILE 17 Cb 0.28 -3.96 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 3gyh s ILE 17 CO 0.24 0.23 1.06 -2.16 0.00 0.00 0.00 174.94 174.30 3gyh s PRO 18 N 1.07 3.46 0.11 2.79 0.04 -1.26 -4.96 135.00 136.24 3gyh s PRO 18 Ca 0.32 1.28 -0.34 0.00 0.04 0.00 0.00 61.00 62.30 3gyh s PRO 18 Cb -0.16 -2.05 -0.18 0.00 0.04 0.00 0.00 34.50 32.15 3gyh s PRO 18 CO 0.14 -0.71 0.92 0.98 0.04 0.00 0.00 177.00 178.37 3gyh n TYR 19 N -1.68 0.44 0.00 0.56 9.36 -1.26 -1.71 117.16 122.88 3gyh n TYR 19 Ca 0.09 0.94 0.00 0.00 3.32 0.00 0.00 57.90 62.25 3gyh n TYR 19 Cb 0.53 -2.10 0.00 0.00 -0.63 0.00 0.00 39.34 37.14 3gyh n TYR 19 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3gyh n GLY 20 N 1.79 2.64 3.87 2.98 0.00 -1.26 -4.97 105.19 110.24 3gyh n GLY 20 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 3gyh n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gyh s LYS 21 N 0.00 3.85 0.42 1.61 3.01 -0.69 -4.84 119.74 123.09 3gyh s LYS 21 Ca 0.00 0.55 0.04 0.00 -1.01 0.00 0.00 55.97 55.55 3gyh s LYS 21 Cb 0.00 -2.39 -0.05 0.00 -1.01 0.00 0.00 37.83 34.39 3gyh s LYS 21 CO 0.00 -0.00 0.04 0.14 0.51 0.00 0.00 175.35 176.04 3gyh s VAL 22 N -2.29 1.30 0.00 3.17 -7.23 -1.26 -4.62 120.40 109.47 3gyh s VAL 22 Ca 0.52 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 3gyh s VAL 22 Cb -0.10 -2.59 0.00 0.00 0.56 0.00 0.00 36.38 34.25 3gyh s VAL 22 CO 0.28 0.00 0.00 -0.24 -0.31 0.00 0.00 175.10 174.83 3gyh n SER 23 N -1.05 0.14 -3.86 4.85 2.88 0.12 0.40 113.62 117.10 3gyh n SER 23 Ca -0.09 -0.45 -0.16 0.00 -1.33 0.00 0.00 58.87 56.84 3gyh n SER 23 Cb 0.67 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.97 3gyh n SER 23 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3gyh s THR 24 N -1.34 0.22 0.04 2.46 -1.32 -1.26 -1.67 115.64 112.77 3gyh s THR 24 Ca 0.00 -0.01 -0.08 0.00 -1.21 0.00 0.00 61.69 60.38 3gyh s THR 24 Cb 0.00 -0.26 -0.02 0.00 -1.51 0.00 0.00 72.50 70.71 3gyh s THR 24 CO 0.00 0.12 0.63 -1.22 -2.21 0.00 0.00 174.62 171.94 3gyh n TYR 25 N 3.67 -0.12 -0.13 9.09 0.53 -1.07 -0.07 117.16 129.06 3gyh n TYR 25 Ca -0.21 0.33 -0.09 0.00 -1.02 0.00 0.00 57.90 56.91 3gyh n TYR 25 Cb 0.54 -0.41 -0.03 0.00 -1.03 0.00 0.00 39.34 38.41 3gyh n TYR 25 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 3gyh h GLY 26 N 0.00 -0.45 0.94 2.72 0.00 -1.88 -0.88 103.07 103.52 3gyh h GLY 26 Ca 0.04 0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.87 3gyh h GLY 26 CO -0.25 -0.19 -0.12 -2.09 0.00 0.00 0.00 176.54 173.89 3gyh h GLU 27 N -0.29 -0.30 -0.43 4.80 4.57 -0.90 0.18 114.58 122.21 3gyh h GLU 27 Ca 0.16 0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.37 3gyh h GLU 27 Cb 0.57 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.21 3gyh h GLU 27 CO -0.58 -0.20 0.29 0.82 -1.18 0.00 0.00 179.01 178.16 3gyh h ILE 28 N -0.31 1.07 -0.32 2.32 1.08 -1.08 0.91 117.51 121.18 3gyh h ILE 28 Ca -0.02 -0.18 -0.05 0.00 -0.39 0.00 0.00 64.86 64.23 3gyh h ILE 28 Cb 0.26 0.50 -0.02 0.00 -3.07 0.00 0.00 36.82 34.49 3gyh h ILE 28 CO 0.02 0.10 -0.00 0.00 -0.69 0.00 0.00 178.15 177.57 3gyh h ALA 29 N 1.74 1.41 0.22 1.87 0.00 -0.00 -2.87 119.26 121.63 3gyh h ALA 29 Ca 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3gyh h ALA 29 Cb 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3gyh h ALA 29 CO -0.04 0.41 -0.11 0.00 0.00 0.00 0.00 179.25 179.52 3gyh h ARG 30 N 0.47 -0.28 -1.05 0.00 3.08 0.20 0.14 114.38 116.93 3gyh h ARG 30 Ca 0.10 0.02 0.40 0.00 0.07 0.00 0.00 59.98 60.58 3gyh h ARG 30 Cb 0.31 0.06 -0.17 0.00 0.08 0.00 0.00 29.97 30.26 3gyh h ARG 30 CO 0.01 0.09 0.59 -0.92 -1.07 0.00 0.00 179.97 178.67 3gyh h TYR 31 N -0.89 0.81 -0.03 3.04 3.20 0.63 2.23 116.97 125.95 3gyh h TYR 31 Ca -0.03 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3gyh h TYR 31 Cb 0.50 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.58 3gyh h TYR 31 CO 0.06 -0.38 0.00 1.33 -1.64 0.00 0.00 178.16 177.53 3gyh n VAL 32 N -5.14 0.01 -1.72 1.81 0.24 -1.09 -4.94 118.33 107.50 3gyh n VAL 32 Ca 0.37 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 3gyh n VAL 32 Cb 1.26 0.75 0.00 0.00 -1.47 0.00 0.00 33.84 34.37 3gyh n VAL 32 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gyh n GLY 33 N 1.22 0.95 2.32 7.63 0.00 0.75 -5.03 105.19 113.02 3gyh n GLY 33 Ca 0.18 -0.51 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 3gyh n GLY 33 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3gyh n MET 34 N -0.47 1.36 0.19 1.61 2.81 0.48 -5.00 117.12 118.11 3gyh n MET 34 Ca 0.00 -3.66 0.18 0.00 -1.81 0.00 0.00 57.70 52.41 3gyh n MET 34 Cb 0.36 -1.71 0.82 0.00 -0.71 0.00 0.00 33.22 31.97 3gyh n MET 34 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 3gyh h PRO 35 N 3.30 0.00 -0.48 0.03 0.13 -1.84 0.24 132.00 133.39 3gyh h PRO 35 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3gyh h PRO 35 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 3gyh h PRO 35 CO 0.56 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.20 3gyh n SER 36 N -3.76 1.50 -1.37 1.44 3.41 -1.26 -4.41 113.62 109.17 3gyh n SER 36 Ca 0.02 -2.10 -0.08 0.00 -0.26 0.00 0.00 58.87 56.45 3gyh n SER 36 Cb 0.37 -0.30 0.19 0.00 -0.26 0.00 0.00 64.21 64.21 3gyh n SER 36 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3gyh n TYR 37 N 0.09 1.45 -0.03 7.33 4.02 0.86 -4.70 117.16 126.18 3gyh n TYR 37 Ca 0.07 -1.68 -0.12 0.00 -0.01 0.00 0.00 57.90 56.15 3gyh n TYR 37 Cb 0.30 -0.58 -0.08 0.00 -0.02 0.00 0.00 39.34 38.96 3gyh n TYR 37 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3gyh h ALA 38 N 1.02 0.11 -0.82 -0.72 0.00 -1.81 0.23 119.26 117.27 3gyh h ALA 38 Ca 0.30 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 55.11 3gyh h ALA 38 Cb 1.85 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 19.49 3gyh h ALA 38 CO 0.52 -0.17 -0.45 0.00 0.00 0.00 0.00 179.25 179.15 3gyh h ARG 39 N -0.18 -0.09 0.00 0.00 3.08 -1.93 0.12 114.38 115.38 3gyh h ARG 39 Ca 0.02 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 3gyh h ARG 39 Cb 0.41 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 3gyh h ARG 39 CO 0.01 -0.06 -0.25 1.96 -1.07 0.00 0.00 179.97 180.56 3gyh h GLN 40 N -0.09 0.00 -1.00 0.04 7.50 -1.62 0.32 115.11 120.25 3gyh h GLN 40 Ca 0.24 0.00 0.01 0.00 0.50 0.00 0.00 58.65 59.39 3gyh h GLN 40 Cb 0.54 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 28.02 3gyh h GLN 40 CO -0.85 0.25 0.66 0.28 -1.50 0.00 0.00 178.83 177.67 3gyh h VAL 41 N 0.00 1.26 -0.76 -0.54 2.07 0.13 -0.58 116.25 117.83 3gyh h VAL 41 Ca -0.00 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 3gyh h VAL 41 Cb 0.55 -0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 3gyh h VAL 41 CO 0.03 0.25 0.32 1.23 0.02 0.00 0.00 177.57 179.42 3gyh h GLY 42 N 1.36 1.21 1.66 2.17 0.00 0.65 -2.77 103.07 107.34 3gyh h GLY 42 Ca 0.37 -0.65 -0.07 0.00 0.00 0.00 0.00 47.33 46.98 3gyh h GLY 42 CO -0.08 0.61 -0.15 1.46 0.00 0.00 0.00 176.54 178.38 3gyh h GLN 43 N 1.09 0.41 -0.31 4.80 1.08 0.21 0.17 115.11 122.57 3gyh h GLN 43 Ca 0.26 -0.12 0.01 0.00 -1.45 0.00 0.00 58.65 57.34 3gyh h GLN 43 Cb 0.19 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 3gyh h GLN 43 CO -0.02 0.56 0.19 0.00 -0.95 0.00 0.00 178.83 178.62 3gyh h ALA 44 N 1.46 0.39 -0.11 3.87 0.00 -0.92 -1.88 119.26 122.07 3gyh h ALA 44 Ca 0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3gyh h ALA 44 Cb 0.50 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3gyh h ALA 44 CO 0.03 -0.16 -0.03 0.52 0.00 0.00 0.00 179.25 179.61 3gyh h MET 45 N 0.40 0.21 -0.37 0.00 2.86 -0.70 -1.44 114.93 115.89 3gyh h MET 45 Ca 0.12 -0.08 0.11 0.00 -2.06 0.00 0.00 59.70 57.78 3gyh h MET 45 Cb -0.03 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 3gyh h MET 45 CO -0.04 0.53 0.44 -0.22 1.06 0.00 0.00 176.91 178.68 3gyh h LYS 46 N -0.13 0.00 -1.05 1.72 3.64 -0.67 -2.83 116.57 117.26 3gyh h LYS 46 Ca 0.03 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.84 3gyh h LYS 46 Cb 0.46 0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 32.01 3gyh h LYS 46 CO 0.01 0.00 0.73 0.72 -2.27 0.00 0.00 179.45 178.64 3gyh n HIS 47 N -3.63 2.91 -5.14 1.91 8.25 -0.54 -4.95 115.22 114.02 3gyh n HIS 47 Ca 0.06 -2.43 -0.29 0.00 -0.26 0.00 0.00 57.72 54.81 3gyh n HIS 47 Cb 0.60 -1.19 -0.16 0.00 1.12 0.00 0.00 29.99 30.36 3gyh n HIS 47 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3gyh s LEU 48 N -3.32 2.05 0.29 2.41 1.43 -1.07 -5.00 118.68 115.47 3gyh s LEU 48 Ca 0.57 -0.42 -0.29 0.00 -1.03 0.00 0.00 54.13 52.95 3gyh s LEU 48 Cb 0.46 -1.19 -0.10 0.00 0.03 0.00 0.00 46.19 45.39 3gyh s LEU 48 CO 0.03 0.28 1.42 -1.00 0.23 0.00 0.00 176.35 177.32 3gyh s HIS 49 N -0.55 2.95 0.58 0.29 3.76 -1.26 -4.87 115.29 116.18 3gyh s HIS 49 Ca 0.09 1.13 0.28 0.00 -0.15 0.00 0.00 55.06 56.42 3gyh s HIS 49 Cb -0.09 -3.83 1.50 0.00 1.11 0.00 0.00 32.58 31.27 3gyh s HIS 49 CO -0.01 -2.56 1.94 -1.35 -0.85 0.00 0.00 174.74 171.91 3gyh h PRO 50 N 4.29 0.00 0.00 8.40 0.11 -1.99 0.30 132.00 143.11 3gyh h PRO 50 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3gyh h PRO 50 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3gyh h PRO 50 CO 0.73 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.57 3gyh h GLU 51 N 0.00 0.00 -6.08 1.05 9.09 -2.03 -3.47 114.58 113.14 3gyh h GLU 51 Ca 0.20 0.00 -0.64 0.00 0.05 0.00 0.00 59.36 58.98 3gyh h GLU 51 Cb 1.05 0.00 0.13 0.00 -1.65 0.00 0.00 28.75 28.29 3gyh h GLU 51 CO -0.00 0.00 -0.62 -2.37 0.05 0.00 0.00 179.01 176.07 3gyh n THR 52 N -2.98 1.47 -1.90 -1.06 5.66 0.11 -4.87 114.28 110.71 3gyh n THR 52 Ca 0.02 -0.50 -0.36 0.00 -3.05 0.00 0.00 64.05 60.16 3gyh n THR 52 Cb 0.37 -0.15 0.04 0.00 -1.55 0.00 0.00 70.33 69.04 3gyh n THR 52 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 3gyh n HIS 53 N -0.49 3.10 -4.77 1.09 8.25 -1.26 -4.96 115.22 116.17 3gyh n HIS 53 Ca 0.14 -2.60 -0.25 0.00 -0.26 0.00 0.00 57.72 54.75 3gyh n HIS 53 Cb 0.33 -1.00 -0.16 0.00 1.12 0.00 0.00 29.99 30.29 3gyh n HIS 53 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3gyh s VAL 54 N -5.08 1.32 -0.13 1.59 1.01 -1.26 -5.03 120.40 112.83 3gyh s VAL 54 Ca 0.54 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.79 3gyh s VAL 54 Cb 0.45 -1.13 -0.21 0.00 0.00 0.00 0.00 36.38 35.49 3gyh s VAL 54 CO -0.26 0.38 3.08 -0.81 0.00 0.00 0.00 175.10 177.49 3gyh n PRO 55 N 3.00 1.81 0.19 2.72 -0.05 -1.26 -4.53 135.00 136.88 3gyh n PRO 55 Ca -0.17 -0.94 0.18 0.00 -0.05 0.00 0.00 63.50 62.52 3gyh n PRO 55 Cb 0.53 -1.99 0.77 0.00 -0.05 0.00 0.00 33.50 32.77 3gyh n PRO 55 CO 0.00 0.00 0.00 0.11 -0.05 0.00 0.00 175.50 175.56 3gyh h TRP 56 N 3.68 0.00 0.00 0.54 5.08 -1.96 0.21 115.95 123.50 3gyh h TRP 56 Ca 0.21 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.18 3gyh h TRP 56 Cb 1.18 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.34 3gyh h TRP 56 CO 1.68 0.00 0.00 1.12 -1.28 0.00 0.00 178.44 179.96 3gyh h HIS 57 N 0.00 0.00 -0.35 0.12 2.07 -1.96 -3.22 115.15 111.81 3gyh h HIS 57 Ca 0.11 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.51 3gyh h HIS 57 Cb 0.90 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.81 3gyh h HIS 57 CO 0.00 0.00 0.15 0.54 -3.07 0.00 0.00 177.93 175.55 3gyh n ARG 58 N -2.72 2.11 -3.55 5.12 1.74 0.73 -4.63 116.66 115.46 3gyh n ARG 58 Ca 0.02 -1.37 -0.29 0.00 -0.77 0.00 0.00 57.85 55.45 3gyh n ARG 58 Cb 0.35 -1.67 -0.13 0.00 -1.02 0.00 0.00 32.46 29.98 3gyh n ARG 58 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3gyh s VAL 59 N -1.61 0.46 0.00 1.55 1.01 -1.22 0.11 120.40 120.71 3gyh s VAL 59 Ca 0.25 -1.75 0.00 0.00 0.00 0.00 0.00 61.98 60.48 3gyh s VAL 59 Cb 0.20 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 35.24 3gyh s VAL 59 CO 0.06 -0.91 0.00 2.30 0.00 0.00 0.00 175.10 176.55 3gyh n ILE 60 N 4.16 0.00 -3.99 2.22 -5.35 -0.67 -4.79 119.36 110.93 3gyh n ILE 60 Ca 0.08 0.00 -0.22 0.00 -0.27 0.00 0.00 62.75 62.34 3gyh n ILE 60 Cb 0.37 -0.85 -0.02 0.00 -1.74 0.00 0.00 39.64 37.40 3gyh n ILE 60 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3gyh s ASN 61 N -0.81 6.20 0.57 7.28 2.20 -0.23 -2.59 114.94 127.56 3gyh s ASN 61 Ca 0.00 0.03 0.34 0.00 -0.94 0.00 0.00 52.86 52.29 3gyh s ASN 61 Cb 0.00 -1.79 1.70 0.00 -2.00 0.00 0.00 41.25 39.16 3gyh s ASN 61 CO 0.00 -0.05 2.13 0.28 -2.94 0.00 0.00 177.10 176.52 3gyh h SER 62 N 1.32 0.00 0.00 3.54 0.02 -1.95 0.69 113.55 117.18 3gyh h SER 62 Ca -0.51 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 3gyh h SER 62 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 3gyh h SER 62 CO 0.62 0.05 0.00 -1.14 -1.14 0.00 0.00 176.83 175.22 3gyh n ARG 63 N -3.31 0.69 -0.92 3.45 0.63 -1.26 -4.84 116.66 111.11 3gyh n ARG 63 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 3gyh n ARG 63 Cb 0.21 -1.20 0.00 0.00 0.45 0.00 0.00 32.46 31.92 3gyh n ARG 63 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3gyh n GLY 64 N 0.17 0.34 3.62 5.14 0.00 0.24 -4.99 105.19 109.71 3gyh n GLY 64 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3gyh n GLY 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gyh s THR 65 N -1.84 1.86 0.01 2.61 -4.23 -1.21 -2.78 115.64 110.07 3gyh s THR 65 Ca 0.00 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.26 3gyh s THR 65 Cb 0.00 -2.90 -0.05 0.00 1.34 0.00 0.00 72.50 70.89 3gyh s THR 65 CO 0.00 0.00 0.76 -0.63 -0.54 0.00 0.00 174.62 174.21 3gyh s ILE 66 N -2.76 4.82 0.16 2.99 1.01 -0.82 -1.07 121.20 125.53 3gyh s ILE 66 Ca 0.32 1.60 -0.27 0.00 0.00 0.00 0.00 60.65 62.30 3gyh s ILE 66 Cb 0.09 -4.11 -0.08 0.00 0.01 0.00 0.00 42.46 38.38 3gyh s ILE 66 CO 0.16 0.32 0.85 -0.44 0.00 0.00 0.00 174.94 175.84 3gyh s SER 67 N 0.22 7.46 0.74 3.58 0.01 -1.26 -4.68 113.70 119.77 3gyh s SER 67 Ca 0.39 1.73 -0.12 0.00 1.31 0.00 0.00 55.95 59.26 3gyh s SER 67 Cb -0.20 -2.54 0.04 0.00 0.21 0.00 0.00 66.02 63.53 3gyh s SER 67 CO 0.22 0.12 1.10 -0.54 0.41 0.00 0.00 173.24 174.55 3gyh s LYS 68 N -0.80 2.36 -0.06 12.44 -0.14 -1.26 -5.03 119.74 127.26 3gyh s LYS 68 Ca 0.39 1.26 0.00 0.00 -1.36 0.00 0.00 55.97 56.26 3gyh s LYS 68 Cb -0.24 -1.90 0.02 0.00 -1.68 0.00 0.00 37.83 34.03 3gyh s LYS 68 CO 0.28 -1.57 -0.03 1.03 -0.76 0.00 0.00 175.35 174.30 3gyh s ARG 69 N -4.65 0.76 0.00 1.68 0.52 -1.26 -4.96 118.95 111.04 3gyh s ARG 69 Ca 0.63 -0.02 0.24 0.00 -0.52 0.00 0.00 55.73 56.06 3gyh s ARG 69 Cb -0.19 -0.92 1.09 0.00 0.52 0.00 0.00 34.95 35.45 3gyh s ARG 69 CO 0.52 -0.18 1.74 -0.25 0.02 0.00 0.00 175.30 177.15 3gyh n ASP 70 N 4.53 0.98 -2.56 0.23 8.00 -1.26 -1.43 116.55 125.04 3gyh n ASP 70 Ca -0.17 -1.48 -0.33 0.00 0.71 0.00 0.00 54.79 53.52 3gyh n ASP 70 Cb 0.50 -0.04 0.02 0.00 -0.02 0.00 0.00 41.12 41.59 3gyh n ASP 70 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gyh n ILE 71 N -0.18 3.44 -0.52 0.53 0.00 -1.26 -5.06 119.36 116.30 3gyh n ILE 71 Ca 0.18 -3.35 0.00 0.00 0.00 0.00 0.00 62.75 59.58 3gyh n ILE 71 Cb 0.24 -1.33 -0.00 0.00 0.00 0.00 0.00 39.64 38.55 3gyh n ILE 71 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3gyh n SER 72 N -0.13 -0.16 -0.32 9.51 3.41 -0.52 -4.26 113.62 121.15 3gyh n SER 72 Ca 0.52 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 3gyh n SER 72 Cb 0.45 -1.57 0.00 0.00 -0.26 0.00 0.00 64.21 62.83 3gyh n SER 72 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gyh n ALA 73 N -2.69 2.03 -0.14 7.33 0.00 -1.26 -3.57 120.51 122.20 3gyh n ALA 73 Ca -0.00 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.72 3gyh n ALA 73 Cb 0.18 -1.00 0.64 0.00 0.00 0.00 0.00 19.45 19.27 3gyh n ALA 73 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3gyh h GLY 74 N 3.68 0.00 1.28 0.00 0.00 -1.94 0.47 103.07 106.56 3gyh h GLY 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gyh h GLY 74 CO 0.00 0.00 0.26 -2.21 0.00 0.00 0.00 176.54 174.59 3gyh n GLU 75 N -3.63 0.09 -0.44 4.80 0.00 -1.23 -1.35 120.64 118.89 3gyh n GLU 75 Ca 0.18 0.57 0.41 0.00 0.00 0.00 0.00 57.16 58.32 3gyh n GLU 75 Cb 1.14 -2.06 0.76 0.00 0.00 0.00 0.00 31.44 31.28 3gyh n GLU 75 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 3gyh h GLN 76 N 0.00 0.00 -0.84 5.31 5.75 -0.40 3.53 115.11 128.46 3gyh h GLN 76 Ca 0.00 0.00 0.13 0.00 -0.15 0.00 0.00 58.65 58.63 3gyh h GLN 76 Cb 0.53 0.00 -0.14 0.00 1.07 0.00 0.00 27.48 28.94 3gyh h GLN 76 CO 0.00 0.00 -0.40 0.00 -2.65 0.00 0.00 178.83 175.78 3gyh h ARG 77 N 0.00 -0.07 -0.28 1.69 2.47 -1.46 -2.27 114.38 114.47 3gyh h ARG 77 Ca 0.68 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 59.44 3gyh h ARG 77 Cb 2.82 0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 31.08 3gyh h ARG 77 CO -0.01 -0.05 -0.55 0.37 0.56 0.00 0.00 179.97 180.30 3gyh h GLN 78 N -0.07 -0.47 -0.78 0.04 4.15 0.64 0.27 115.11 118.89 3gyh h GLN 78 Ca 0.28 0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.80 3gyh h GLN 78 Cb 0.57 0.11 -0.10 0.00 0.21 0.00 0.00 27.48 28.26 3gyh h GLN 78 CO -0.87 -0.31 -0.52 -0.22 -1.93 0.00 0.00 178.83 174.98 3gyh h LYS 79 N -0.49 -0.07 0.67 1.69 3.64 -1.51 0.44 116.57 120.94 3gyh h LYS 79 Ca 0.05 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3gyh h LYS 79 Cb 0.63 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 3gyh h LYS 79 CO -0.52 -0.05 -0.49 -0.44 -2.27 0.00 0.00 179.45 175.68 3gyh h ASP 80 N -0.07 -1.29 -0.93 4.20 3.32 -0.59 0.31 116.42 121.37 3gyh h ASP 80 Ca 0.13 0.09 0.25 0.00 0.02 0.00 0.00 57.03 57.51 3gyh h ASP 80 Cb 0.40 0.40 -0.13 0.00 0.22 0.00 0.00 39.33 40.21 3gyh h ASP 80 CO -0.77 -0.71 0.43 0.03 -1.72 0.00 0.00 179.24 176.50 3gyh h ARG 81 N -1.11 0.36 -0.28 3.56 2.47 -0.16 0.82 114.38 120.04 3gyh h ARG 81 Ca -0.09 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.59 3gyh h ARG 81 Cb 0.92 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.14 3gyh h ARG 81 CO 0.04 0.24 0.09 -0.07 0.56 0.00 0.00 179.97 180.83 3gyh h LEU 82 N 0.37 0.40 -0.60 3.04 3.38 0.03 -1.49 115.31 120.45 3gyh h LEU 82 Ca 0.61 -0.19 0.11 0.00 0.09 0.00 0.00 57.88 58.50 3gyh h LEU 82 Cb 1.24 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.80 3gyh h LEU 82 CO -0.57 0.49 0.15 -0.33 0.09 0.00 0.00 178.44 178.27 3gyh h GLU 83 N 0.29 0.28 -0.98 1.13 5.08 0.44 0.26 114.58 121.08 3gyh h GLU 83 Ca 0.09 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 3gyh h GLU 83 Cb 0.23 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 3gyh h GLU 83 CO -0.00 0.18 0.64 0.93 -1.00 0.00 0.00 179.01 179.76 3gyh h GLU 84 N 0.28 1.19 0.00 2.33 5.08 -0.91 -1.53 114.58 121.02 3gyh h GLU 84 Ca 0.31 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3gyh h GLU 84 Cb 0.45 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 3gyh h GLU 84 CO -0.38 0.78 -0.02 0.93 -1.00 0.00 0.00 179.01 179.32 3gyh h GLU 85 N 1.22 0.00 0.00 2.33 4.39 0.10 -3.46 114.58 119.16 3gyh h GLU 85 Ca 0.40 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.10 3gyh h GLU 85 Cb 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3gyh h GLU 85 CO -0.13 0.02 0.00 0.41 -1.16 0.00 0.00 179.01 178.15 3gyh n GLY 86 N -1.35 1.25 3.16 -3.84 0.00 -0.49 -4.10 105.19 99.84 3gyh n GLY 86 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 3gyh n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gyh s VAL 87 N -2.00 2.88 -0.14 1.61 1.01 -1.02 -5.01 120.40 117.72 3gyh s VAL 87 Ca 0.00 -1.36 -0.29 0.00 0.00 0.00 0.00 61.98 60.33 3gyh s VAL 87 Cb 0.00 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 3gyh s VAL 87 CO 0.00 -0.05 1.85 -1.61 0.00 0.00 0.00 175.10 175.28 3gyh s GLU 88 N 1.25 3.76 0.11 2.72 2.02 -1.26 -4.35 118.70 122.95 3gyh s GLU 88 Ca -0.05 2.03 0.10 0.00 0.02 0.00 0.00 54.97 57.07 3gyh s GLU 88 Cb -0.19 -4.14 -0.04 0.00 0.10 0.00 0.00 34.13 29.86 3gyh s GLU 88 CO -0.02 -1.36 -0.25 0.42 0.02 0.00 0.00 175.26 174.07 3gyh s ILE 89 N 5.63 2.10 0.10 -1.63 1.01 -1.26 -4.50 121.20 122.65 3gyh s ILE 89 Ca 0.82 -1.64 0.03 0.00 0.00 0.00 0.00 60.65 59.86 3gyh s ILE 89 Cb -0.32 -1.86 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 3gyh s ILE 89 CO 0.34 0.10 -0.08 -0.72 0.00 0.00 0.00 174.94 174.58 3gyh s TYR 90 N -1.03 0.96 0.35 3.97 1.13 -0.06 -4.93 117.35 117.74 3gyh s TYR 90 Ca 0.12 -0.79 -0.13 0.00 -1.41 0.00 0.00 57.07 54.86 3gyh s TYR 90 Cb -0.10 -0.54 -0.08 0.00 -1.10 0.00 0.00 41.96 40.15 3gyh s TYR 90 CO 0.05 -0.08 0.74 -0.65 -2.51 0.00 0.00 175.55 173.10 3gyh s GLN 91 N -3.36 3.90 0.00 -3.49 -0.21 -1.26 -1.05 119.66 114.19 3gyh s GLN 91 Ca 0.09 0.56 0.00 0.00 0.02 0.00 0.00 55.36 56.03 3gyh s GLN 91 Cb 0.02 -2.42 0.00 0.00 1.00 0.00 0.00 33.01 31.60 3gyh s GLN 91 CO -0.02 0.08 0.00 0.25 -2.12 0.00 0.00 175.29 173.48 3gyh n THR 92 N -0.76 0.00 -1.50 -0.19 -2.24 -1.00 -4.87 114.28 103.72 3gyh n THR 92 Ca 0.03 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.72 3gyh n THR 92 Cb 0.53 0.00 0.17 0.00 -2.10 0.00 0.00 70.33 68.94 3gyh n THR 92 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3gyh n SER 93 N 0.00 3.04 -2.79 3.42 3.41 -1.26 -2.87 113.62 116.58 3gyh n SER 93 Ca 0.00 -3.79 -0.11 0.00 -0.26 0.00 0.00 58.87 54.71 3gyh n SER 93 Cb 0.00 -0.64 0.02 0.00 -0.26 0.00 0.00 64.21 63.33 3gyh n SER 93 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3gyh n LEU 94 N -1.08 1.25 0.00 1.04 0.00 -1.26 -4.98 117.00 111.97 3gyh n LEU 94 Ca 0.37 -4.03 0.00 0.00 0.00 0.00 0.00 56.01 52.36 3gyh n LEU 94 Cb 1.04 0.50 0.00 0.00 0.00 0.00 0.00 43.42 44.95 3gyh n LEU 94 CO 0.26 1.74 0.00 0.61 0.00 0.00 0.00 177.39 180.01 3gyh n GLY 95 N 0.02 0.40 0.00 -3.96 0.00 -1.14 -4.75 105.19 95.76 3gyh n GLY 95 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3gyh n GLY 95 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gyh n GLU 96 N 0.00 0.00 -1.41 1.61 1.02 -1.26 -2.38 120.64 118.22 3gyh n GLU 96 Ca 0.00 0.00 -0.55 0.00 -0.02 0.00 0.00 57.16 56.59 3gyh n GLU 96 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 3gyh n GLU 96 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3gyh n TYR 97 N 0.00 0.68 -3.86 -0.32 0.53 -1.26 -4.10 117.16 108.82 3gyh n TYR 97 Ca 0.00 0.99 -0.12 0.00 -1.02 0.00 0.00 57.90 57.75 3gyh n TYR 97 Cb 0.00 -1.95 -0.13 0.00 -1.03 0.00 0.00 39.34 36.23 3gyh n TYR 97 CO 0.00 0.00 0.00 0.21 -1.02 0.00 0.00 176.86 176.05 3gyh s LYS 98 N 0.22 0.10 0.08 -0.72 2.20 -0.21 -1.95 119.74 119.45 3gyh s LYS 98 Ca 0.86 0.01 0.01 0.00 -0.36 0.00 0.00 55.97 56.48 3gyh s LYS 98 Cb -1.20 0.04 -0.04 0.00 -1.51 0.00 0.00 37.83 35.13 3gyh s LYS 98 CO 0.55 -0.01 -0.06 -0.48 -0.36 0.00 0.00 175.35 174.99 3gyh s LEU 99 N -0.14 2.49 -0.77 5.43 -0.00 -1.12 -0.89 118.68 123.69 3gyh s LEU 99 Ca -0.02 -0.97 -0.26 0.00 -0.00 0.00 0.00 54.13 52.89 3gyh s LEU 99 Cb -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 46.19 46.16 3gyh s LEU 99 CO 0.00 -0.49 1.77 0.21 -0.00 0.00 0.00 176.35 177.84 3gyh s ASN 100 N -2.90 5.47 0.15 1.48 3.84 -1.26 -4.79 114.94 116.93 3gyh s ASN 100 Ca 0.09 -0.30 -0.25 0.00 0.21 0.00 0.00 52.86 52.60 3gyh s ASN 100 Cb 0.05 -2.55 0.01 0.00 -0.55 0.00 0.00 41.25 38.21 3gyh s ASN 100 CO -0.06 -2.34 1.60 0.25 -2.79 0.00 0.00 177.10 173.75 3gyh h LEU 101 N 16.10 -1.14 -0.50 3.21 7.12 -1.85 -1.75 115.31 136.49 3gyh h LEU 101 Ca -0.09 0.18 0.07 0.00 0.13 0.00 0.00 57.88 58.17 3gyh h LEU 101 Cb 1.08 0.51 -0.06 0.00 -0.53 0.00 0.00 40.66 41.66 3gyh h LEU 101 CO 1.25 -0.35 0.17 -0.65 -0.13 0.00 0.00 178.44 178.72 3gyh h PRO 102 N -0.34 0.33 0.00 5.25 0.11 -1.97 -3.18 132.00 132.21 3gyh h PRO 102 Ca 0.13 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3gyh h PRO 102 Cb 0.56 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.59 3gyh h PRO 102 CO -0.47 0.22 0.00 -1.91 -0.21 0.00 0.00 178.00 175.63 3gyh n GLU 103 N -5.01 0.00 -2.50 1.05 2.13 -0.73 -4.14 120.64 111.44 3gyh n GLU 103 Ca 0.05 0.11 -0.40 0.00 0.66 0.00 0.00 57.16 57.58 3gyh n GLU 103 Cb 0.20 -0.89 -0.03 0.00 0.27 0.00 0.00 31.44 30.99 3gyh n GLU 103 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 3gyh s TYR 104 N -0.79 2.28 -0.29 4.31 1.51 -0.79 -4.93 117.35 118.65 3gyh s TYR 104 Ca 0.00 -0.15 -0.16 0.00 -1.01 0.00 0.00 57.07 55.76 3gyh s TYR 104 Cb 0.00 -4.59 0.12 0.00 -0.11 0.00 0.00 41.96 37.38 3gyh s TYR 104 CO 0.00 -2.06 0.85 1.41 -1.11 0.00 0.00 175.55 174.64 3gyh s MET 105 N 5.70 0.52 0.30 -0.62 1.75 -1.21 -4.25 119.30 121.48 3gyh s MET 105 Ca 0.41 0.92 -0.28 0.00 -1.25 0.00 0.00 55.69 55.49 3gyh s MET 105 Cb -0.07 0.15 -0.09 0.00 2.84 0.00 0.00 34.83 37.66 3gyh s MET 105 CO 0.10 -0.11 1.03 -0.46 -0.65 0.00 0.00 175.02 174.92 3gyh s TRP 106 N 1.57 3.64 -0.44 4.11 -0.00 0.16 -4.84 118.94 123.14 3gyh s TRP 106 Ca -0.09 1.76 0.07 0.00 -0.00 0.00 0.00 56.10 57.83 3gyh s TRP 106 Cb -0.05 -3.13 0.18 0.00 -0.00 0.00 0.00 33.47 30.47 3gyh s TRP 106 CO -0.17 -0.21 0.60 0.15 -0.00 0.00 0.00 176.95 177.32 3gyh s LYS 107 N -1.66 0.89 0.00 5.86 1.02 -1.26 -4.96 119.74 119.63 3gyh s LYS 107 Ca 0.47 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.66 3gyh s LYS 107 Cb -0.27 -0.21 0.00 0.00 -0.52 0.00 0.00 37.83 36.83 3gyh s LYS 107 CO 0.34 -1.26 0.45 -0.35 -0.92 0.00 0.00 175.35 173.61