#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nyh s THR 2 N 0.00 -0.20 0.24 2.61 2.01 -1.26 -5.26 115.64 113.78 2nyh s THR 2 Ca 0.00 0.38 -0.30 0.00 0.31 0.00 0.00 61.69 62.09 2nyh s THR 2 Cb 0.00 -0.24 -0.09 0.00 0.01 0.00 0.00 72.50 72.18 2nyh s THR 2 CO 0.00 0.16 1.09 -0.36 -0.69 0.00 0.00 174.62 174.82 2nyh s PHE 3 N 2.24 3.62 0.15 4.92 0.40 -1.26 -5.05 117.98 123.00 2nyh s PHE 3 Ca 0.04 1.68 0.07 0.00 -0.60 0.00 0.00 56.93 58.12 2nyh s PHE 3 Cb -0.12 -3.26 -0.04 0.00 0.51 0.00 0.00 43.02 40.11 2nyh s PHE 3 CO -0.05 -0.49 -0.05 1.03 0.70 0.00 0.00 175.22 176.36 2nyh s ARG 4 N -1.07 2.25 0.31 0.44 0.52 -1.26 -5.14 118.95 115.00 2nyh s ARG 4 Ca 0.46 -1.10 -0.05 0.00 -0.52 0.00 0.00 55.73 54.52 2nyh s ARG 4 Cb -0.31 -2.31 -0.05 0.00 0.52 0.00 0.00 34.95 32.80 2nyh s ARG 4 CO 0.38 0.47 0.59 -0.51 0.02 0.00 0.00 175.30 176.25 2nyh s ASP 5 N -2.65 6.44 0.43 0.23 1.01 -1.26 -4.98 116.67 115.89 2nyh s ASP 5 Ca 0.25 0.76 0.29 0.00 0.71 0.00 0.00 52.55 54.56 2nyh s ASP 5 Cb -0.10 -2.16 1.56 0.00 1.01 0.00 0.00 42.92 43.23 2nyh s ASP 5 CO 0.16 -0.24 1.88 0.00 0.21 0.00 0.00 175.17 177.19 2nyh h THR 6 N 1.26 0.00 -0.10 -1.27 1.03 -2.00 -0.75 112.91 111.07 2nyh h THR 6 Ca -0.48 -0.00 0.03 0.00 -0.01 0.00 0.00 66.41 65.95 2nyh h THR 6 Cb 1.19 0.64 -0.00 0.00 -1.07 0.00 0.00 68.15 68.91 2nyh h THR 6 CO 0.65 0.00 0.09 0.77 -0.01 0.00 0.00 175.52 177.02 2nyh h SER 7 N 0.00 0.00 0.00 0.00 4.64 -2.05 -2.08 113.55 114.06 2nyh h SER 7 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2nyh h SER 7 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2nyh h SER 7 CO 0.00 0.00 0.06 0.00 -0.87 0.00 0.00 176.83 176.02 2nyh h ALA 8 N 1.92 1.04 -2.45 5.18 0.00 -1.53 -3.41 119.26 120.01 2nyh h ALA 8 Ca 0.05 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.33 2nyh h ALA 8 Cb 0.23 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.88 2nyh h ALA 8 CO -0.00 -0.04 0.05 0.42 0.00 0.00 0.00 179.25 179.68 2nyh s ILE 9 N -3.55 4.99 0.02 0.00 1.01 -0.79 -4.36 121.20 118.52 2nyh s ILE 9 Ca -0.02 0.69 -0.17 0.00 0.00 0.00 0.00 60.65 61.14 2nyh s ILE 9 Cb 0.06 -3.95 -0.30 0.00 0.01 0.00 0.00 42.46 38.28 2nyh s ILE 9 CO 0.19 -0.12 1.04 0.00 0.00 0.00 0.00 174.94 176.05 2nyh h ALA 10 N 8.26 -0.05 -2.35 9.38 0.00 -0.97 -3.46 119.26 130.06 2nyh h ALA 10 Ca -0.28 -0.75 0.20 0.00 0.00 0.00 0.00 54.91 54.09 2nyh h ALA 10 Cb 1.12 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 2nyh h ALA 10 CO 0.77 0.57 0.62 -1.54 0.00 0.00 0.00 179.25 179.68 2nyh s SER 11 N -7.27 -0.04 0.11 0.00 1.04 -1.23 -4.68 113.70 101.63 2nyh s SER 11 Ca -0.11 -0.52 0.09 0.00 0.48 0.00 0.00 55.95 55.89 2nyh s SER 11 Cb 0.04 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 2nyh s SER 11 CO 0.90 -0.84 -0.23 0.26 0.98 0.00 0.00 173.24 174.30 2nyh s TRP 12 N -2.41 2.00 0.03 5.02 0.52 0.11 -0.22 118.94 124.00 2nyh s TRP 12 Ca 0.20 -0.40 0.08 0.00 0.02 0.00 0.00 56.10 56.00 2nyh s TRP 12 Cb -0.01 -1.09 -0.03 0.00 -1.15 0.00 0.00 33.47 31.19 2nyh s TRP 12 CO 0.03 0.26 -0.23 -1.01 0.02 0.00 0.00 176.95 176.02 2nyh s HIS 13 N -1.13 2.41 -0.00 -1.98 3.76 -0.08 -1.60 115.29 116.67 2nyh s HIS 13 Ca 0.10 -0.36 0.06 0.00 -0.15 0.00 0.00 55.06 54.71 2nyh s HIS 13 Cb -0.10 -1.43 -0.02 0.00 1.11 0.00 0.00 32.58 32.14 2nyh s HIS 13 CO 0.05 0.15 -0.19 0.00 -0.85 0.00 0.00 174.74 173.91 2nyh s ALA 14 N -0.82 1.55 -0.14 -1.40 0.00 -0.09 -1.36 121.76 119.49 2nyh s ALA 14 Ca 0.12 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.26 2nyh s ALA 14 Cb -0.10 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.66 2nyh s ALA 14 CO 0.03 0.37 -0.15 -1.01 0.00 0.00 0.00 175.76 175.00 2nyh s HIS 15 N -0.50 2.19 -0.26 0.00 3.76 0.13 -0.28 115.29 120.34 2nyh s HIS 15 Ca 0.07 -1.20 -0.27 0.00 -0.15 0.00 0.00 55.06 53.50 2nyh s HIS 15 Cb -0.07 -1.60 0.01 0.00 1.11 0.00 0.00 32.58 32.03 2nyh s HIS 15 CO -0.00 -0.65 0.96 0.08 -0.85 0.00 0.00 174.74 174.27 2nyh s VAL 16 N 1.39 4.70 -0.04 -0.90 1.01 -0.05 -1.21 120.40 125.30 2nyh s VAL 16 Ca 0.03 1.74 -0.05 0.00 0.00 0.00 0.00 61.98 63.70 2nyh s VAL 16 Cb -0.13 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 2nyh s VAL 16 CO -0.09 -0.22 0.19 -0.31 0.00 0.00 0.00 175.10 174.67 2nyh s TYR 17 N 3.16 3.58 0.30 5.22 1.51 0.13 -2.21 117.35 129.04 2nyh s TYR 17 Ca 0.40 0.48 -0.18 0.00 -1.01 0.00 0.00 57.07 56.76 2nyh s TYR 17 Cb -0.14 -1.91 0.02 0.00 -0.11 0.00 0.00 41.96 39.82 2nyh s TYR 17 CO 0.09 0.67 0.68 -0.59 -1.11 0.00 0.00 175.55 175.29 2nyh s PHE 18 N -1.22 0.01 0.10 2.71 -0.71 -0.10 -3.85 117.98 114.92 2nyh s PHE 18 Ca 0.23 -0.48 0.01 0.00 -1.04 0.00 0.00 56.93 55.65 2nyh s PHE 18 Cb -0.13 0.62 -0.00 0.00 -1.21 0.00 0.00 43.02 42.30 2nyh s PHE 18 CO 0.13 -1.26 0.11 -0.40 -1.34 0.00 0.00 175.22 172.47 2nyh n ASP 19 N -0.66 -0.30 -0.35 1.98 5.68 -1.26 -2.24 116.55 119.40 2nyh n ASP 19 Ca -0.04 -1.62 0.06 0.00 -0.50 0.00 0.00 54.79 52.68 2nyh n ASP 19 Cb 0.60 0.62 0.23 0.00 -1.14 0.00 0.00 41.12 41.43 2nyh n ASP 19 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2nyh h ALA 20 N 1.45 1.50 0.00 2.12 0.00 -2.00 -1.32 119.26 121.01 2nyh h ALA 20 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2nyh h ALA 20 Cb 0.36 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2nyh h ALA 20 CO 0.11 0.30 -0.03 0.66 0.00 0.00 0.00 179.25 180.28 2nyh h SER 21 N 1.04 0.00 0.00 0.00 4.64 -2.05 -3.20 113.55 113.97 2nyh h SER 21 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 2nyh h SER 21 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2nyh h SER 21 CO -0.22 0.03 -0.05 -1.54 -0.87 0.00 0.00 176.83 174.18 2nyh n SER 22 N -4.35 1.74 -0.21 4.97 3.41 -0.61 -4.74 113.62 113.84 2nyh n SER 22 Ca -0.03 -2.36 -0.03 0.00 -0.26 0.00 0.00 58.87 56.19 2nyh n SER 22 Cb 0.11 -0.20 0.16 0.00 -0.26 0.00 0.00 64.21 64.02 2nyh n SER 22 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2nyh h ARG 23 N 0.00 1.00 -0.39 4.33 0.11 -1.28 0.04 114.38 118.19 2nyh h ARG 23 Ca 0.00 -0.16 -0.05 0.00 0.10 0.00 0.00 59.98 59.87 2nyh h ARG 23 Cb 0.85 -0.17 -0.02 0.00 1.11 0.00 0.00 29.97 31.74 2nyh h ARG 23 CO 0.00 0.80 0.06 -0.44 0.10 0.00 0.00 179.97 180.49 2nyh h ASP 24 N 0.98 0.63 -0.59 0.08 3.32 -1.85 0.13 116.42 119.12 2nyh h ASP 24 Ca 0.23 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 2nyh h ASP 24 Cb 0.17 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 2nyh h ASP 24 CO -0.02 0.73 0.30 0.00 -1.72 0.00 0.00 179.24 178.53 2nyh h ALA 25 N 0.92 0.76 -0.58 3.45 0.00 -1.78 -1.10 119.26 120.93 2nyh h ALA 25 Ca 0.12 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2nyh h ALA 25 Cb 0.38 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 2nyh h ALA 25 CO 0.01 0.31 0.32 0.00 0.00 0.00 0.00 179.25 179.89 2nyh h ALA 26 N 1.13 0.76 -0.40 0.00 0.00 -0.75 -1.30 119.26 118.71 2nyh h ALA 26 Ca 0.21 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2nyh h ALA 26 Cb 0.09 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2nyh h ALA 26 CO -0.03 0.00 0.08 2.35 0.00 0.00 0.00 179.25 181.65 2nyh h TRP 27 N 0.61 0.68 -0.49 0.00 2.91 -0.66 -1.69 115.95 117.31 2nyh h TRP 27 Ca 0.25 -0.09 0.00 0.00 1.13 0.00 0.00 58.89 60.18 2nyh h TRP 27 Cb 0.12 -0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 28.56 2nyh h TRP 27 CO -0.08 0.67 0.32 1.15 -1.03 0.00 0.00 178.44 179.47 2nyh h THR 28 N 0.50 1.13 -0.44 2.65 2.02 -0.87 -1.17 112.91 116.73 2nyh h THR 28 Ca 0.12 -0.24 0.01 0.00 0.77 0.00 0.00 66.41 67.07 2nyh h THR 28 Cb 0.35 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 2nyh h THR 28 CO 0.01 0.12 0.28 0.25 0.37 0.00 0.00 175.52 176.55 2nyh h LEU 29 N 0.67 0.48 -0.29 2.58 5.85 -1.16 -1.46 115.31 121.96 2nyh h LEU 29 Ca 0.18 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.95 2nyh h LEU 29 Cb -0.07 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.79 2nyh h LEU 29 CO -0.04 0.34 -0.10 -0.09 -0.34 0.00 0.00 178.44 178.22 2nyh h ARG 30 N 0.57 -0.03 0.00 1.25 2.43 -0.85 0.11 114.38 117.85 2nyh h ARG 30 Ca 0.17 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.26 2nyh h ARG 30 Cb -0.04 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2nyh h ARG 30 CO -0.05 -0.02 -0.38 0.93 -1.51 0.00 0.00 179.97 178.94 2nyh h GLU 31 N -0.03 0.00 0.04 0.20 4.39 -1.02 -2.02 114.58 116.14 2nyh h GLU 31 Ca 0.14 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.62 2nyh h GLU 31 Cb 0.25 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2nyh h GLU 31 CO -0.32 0.38 -1.01 0.37 -1.16 0.00 0.00 179.01 177.27 2nyh h GLN 32 N 0.00 0.25 -0.23 2.33 5.75 -0.60 -1.91 115.11 120.70 2nyh h GLN 32 Ca -0.00 -0.32 0.00 0.00 -0.15 0.00 0.00 58.65 58.18 2nyh h GLN 32 Cb 0.86 0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.51 2nyh h GLN 32 CO 0.05 1.07 0.15 0.82 -2.65 0.00 0.00 178.83 178.27 2nyh h ILE 33 N 0.12 1.05 -0.39 2.39 2.04 -0.57 0.17 117.51 122.33 2nyh h ILE 33 Ca -0.08 -0.10 0.08 0.00 1.00 0.00 0.00 64.86 65.76 2nyh h ILE 33 Cb 1.68 0.73 -0.08 0.00 -0.74 0.00 0.00 36.82 38.40 2nyh h ILE 33 CO 0.16 0.05 -0.20 -0.33 0.00 0.00 0.00 178.15 177.84 2nyh h GLU 34 N 0.30 -0.13 0.35 2.37 4.39 -1.37 -2.31 114.58 118.18 2nyh h GLU 34 Ca 0.08 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 2nyh h GLU 34 Cb -0.03 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2nyh h GLU 34 CO -0.02 -0.09 -0.17 0.00 -1.16 0.00 0.00 179.01 177.57 2nyh h ALA 35 N 1.12 -0.47 -0.44 3.43 0.00 -1.13 -0.51 119.26 121.26 2nyh h ALA 35 Ca 0.19 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2nyh h ALA 35 Cb 0.43 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2nyh h ALA 35 CO -0.47 -0.66 0.25 1.25 0.00 0.00 0.00 179.25 179.62 2nyh h HIS 36 N -0.68 0.46 -0.65 0.00 -0.00 -0.60 -1.90 115.15 111.77 2nyh h HIS 36 Ca -0.05 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 2nyh h HIS 36 Cb 0.48 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 27.75 2nyh h HIS 36 CO -0.00 0.26 0.00 0.91 -0.00 0.00 0.00 177.93 179.09 2nyh n TRP 37 N -4.86 1.59 -3.68 5.26 8.01 -0.88 -4.97 117.44 117.91 2nyh n TRP 37 Ca 0.02 -0.63 -0.28 0.00 -1.31 0.00 0.00 57.50 55.31 2nyh n TRP 37 Cb 0.08 -0.28 0.02 0.00 -2.01 0.00 0.00 31.31 29.11 2nyh n TRP 37 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 2nyh n SER 38 N 1.10 -4.59 -0.68 -0.99 7.64 -0.47 -1.34 113.62 114.29 2nyh n SER 38 Ca 0.27 -0.63 -0.09 0.00 1.01 0.00 0.00 58.87 59.43 2nyh n SER 38 Cb 0.94 -3.70 -0.04 0.00 -1.01 0.00 0.00 64.21 60.40 2nyh n SER 38 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2nyh n GLY 39 N -1.51 1.04 0.10 0.23 0.00 -0.32 -4.90 105.19 99.82 2nyh n GLY 39 Ca 0.01 -0.47 0.12 0.00 0.00 0.00 0.00 46.02 45.68 2nyh n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nyh h LYS 40 N 0.08 0.00 -5.86 1.61 1.79 -1.51 -3.45 116.57 109.23 2nyh h LYS 40 Ca -0.18 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.71 2nyh h LYS 40 Cb 0.65 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.23 2nyh h LYS 40 CO 0.26 0.00 0.14 -0.51 -1.08 0.00 0.00 179.45 178.26 2nyh s LEU 41 N -4.94 4.22 0.13 2.94 1.43 -1.26 -5.02 118.68 116.18 2nyh s LEU 41 Ca 0.02 1.03 -0.32 0.00 -1.03 0.00 0.00 54.13 53.83 2nyh s LEU 41 Cb 0.11 -3.01 -0.11 0.00 0.03 0.00 0.00 46.19 43.21 2nyh s LEU 41 CO 0.76 -0.22 1.81 0.00 0.23 0.00 0.00 176.35 178.94 2nyh n GLN 42 N 4.52 2.73 -4.53 1.70 6.02 -1.24 -4.91 117.38 121.66 2nyh n GLN 42 Ca -0.01 0.99 -0.24 0.00 -0.01 0.00 0.00 57.00 57.74 2nyh n GLN 42 Cb 0.50 -2.87 -0.17 0.00 1.02 0.00 0.00 30.24 28.72 2nyh n GLN 42 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2nyh s LEU 43 N 2.51 1.61 0.72 1.08 2.96 -1.26 -1.63 118.68 124.66 2nyh s LEU 43 Ca 0.81 -0.28 -0.03 0.00 -0.22 0.00 0.00 54.13 54.42 2nyh s LEU 43 Cb -0.50 -0.78 0.11 0.00 0.50 0.00 0.00 46.19 45.52 2nyh s LEU 43 CO 0.37 0.02 1.00 -0.83 -1.32 0.00 0.00 176.35 175.59 2nyh s GLY 44 N 0.70 1.76 0.73 7.98 0.00 0.74 -4.99 107.32 114.23 2nyh s GLY 44 Ca -0.14 -1.50 -0.15 0.00 0.00 0.00 0.00 44.72 42.93 2nyh s GLY 44 CO 0.03 -0.98 1.20 0.50 0.00 0.00 0.00 173.10 173.85 2nyh s ARG 45 N -5.17 2.14 -0.94 2.90 0.52 -1.26 -4.60 118.95 112.54 2nyh s ARG 45 Ca 0.65 1.73 -0.21 0.00 -0.52 0.00 0.00 55.73 57.38 2nyh s ARG 45 Cb -0.07 -1.84 0.09 0.00 0.52 0.00 0.00 34.95 33.65 2nyh s ARG 45 CO 0.44 -1.83 1.26 0.12 0.02 0.00 0.00 175.30 175.31 2nyh s PHE 46 N -2.03 2.81 -0.41 -0.53 5.36 -1.26 -4.33 117.98 117.59 2nyh s PHE 46 Ca 0.74 -1.05 -0.22 0.00 -0.96 0.00 0.00 56.93 55.44 2nyh s PHE 46 Cb -0.28 -4.47 0.02 0.00 -0.34 0.00 0.00 43.02 37.94 2nyh s PHE 46 CO 0.45 -1.71 0.73 -1.01 -1.46 0.00 0.00 175.22 172.22 2nyh s HIS 47 N 3.86 3.07 -0.74 10.12 3.76 -0.06 -4.93 115.29 130.37 2nyh s HIS 47 Ca 0.38 0.25 -0.02 0.00 -0.15 0.00 0.00 55.06 55.52 2nyh s HIS 47 Cb -0.04 -3.43 0.41 0.00 1.11 0.00 0.00 32.58 30.63 2nyh s HIS 47 CO -0.07 -0.83 2.04 0.39 -0.85 0.00 0.00 174.74 175.41 2nyh n GLU 48 N 6.42 2.71 -3.53 1.40 1.02 -1.26 -1.14 120.64 126.27 2nyh n GLU 48 Ca 0.01 -3.38 -0.13 0.00 -0.02 0.00 0.00 57.16 53.65 2nyh n GLU 48 Cb 0.48 -2.28 -0.04 0.00 -0.02 0.00 0.00 31.44 29.58 2nyh n GLU 48 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2nyh s ARG 49 N -3.92 1.14 0.13 3.49 1.70 -1.26 -4.98 118.95 115.25 2nyh s ARG 49 Ca 0.60 -0.40 -0.31 0.00 -0.47 0.00 0.00 55.73 55.14 2nyh s ARG 49 Cb 0.48 0.52 -0.10 0.00 -0.57 0.00 0.00 34.95 35.28 2nyh s ARG 49 CO -0.17 -0.45 1.75 -2.14 -1.08 0.00 0.00 175.30 173.20 2nyh s PRO 50 N -3.18 4.16 0.00 3.89 0.02 -1.26 -4.41 135.00 134.22 2nyh s PRO 50 Ca -0.01 2.51 0.06 0.00 0.02 0.00 0.00 61.00 63.58 2nyh s PRO 50 Cb -0.00 -3.48 -0.02 0.00 0.02 0.00 0.00 34.50 31.02 2nyh s PRO 50 CO -0.08 -0.78 -0.19 0.14 -0.33 0.00 0.00 177.00 175.76 2nyh s VAL 51 N 2.34 1.50 0.00 3.83 -7.23 -1.22 -5.00 120.40 114.62 2nyh s VAL 51 Ca 0.77 -0.91 0.00 0.00 -1.81 0.00 0.00 61.98 60.03 2nyh s VAL 51 Cb -0.45 -1.27 0.00 0.00 0.56 0.00 0.00 36.38 35.22 2nyh s VAL 51 CO 0.34 0.34 0.00 0.61 -0.31 0.00 0.00 175.10 176.08 2nyh n GLY 52 N 2.38 2.95 0.00 2.32 0.00 -1.26 -1.36 105.19 110.21 2nyh n GLY 52 Ca -0.16 -0.34 0.14 0.00 0.00 0.00 0.00 46.02 45.67 2nyh n GLY 52 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2nyh n PRO 53 N 13.83 0.71 -2.97 1.61 -0.04 -1.26 -4.76 135.00 142.12 2nyh n PRO 53 Ca 0.00 0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 63.05 2nyh n PRO 53 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 2nyh n PRO 53 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2nyh s HIS 54 N -2.21 3.20 -0.39 0.54 3.76 -0.47 -0.35 115.29 119.37 2nyh s HIS 54 Ca 0.37 0.76 0.00 0.00 -0.15 0.00 0.00 55.06 56.04 2nyh s HIS 54 Cb 0.19 -3.19 0.00 0.00 1.11 0.00 0.00 32.58 30.69 2nyh s HIS 54 CO 0.36 -0.56 0.66 -0.35 -0.85 0.00 0.00 174.74 174.00 2nyh n PRO 55 N 6.16 0.82 -3.12 8.40 -0.04 -1.26 -3.41 135.00 142.55 2nyh n PRO 55 Ca 0.03 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.16 2nyh n PRO 55 Cb 0.48 -1.22 -0.06 0.00 -0.04 0.00 0.00 33.50 32.66 2nyh n PRO 55 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2nyh s TRP 57 N -0.28 3.41 0.08 0.54 0.52 -0.95 -4.75 118.94 117.51 2nyh s TRP 57 Ca 0.00 1.26 -0.26 0.00 0.02 0.00 0.00 56.10 57.12 2nyh s TRP 57 Cb 0.00 -2.56 0.08 0.00 -1.15 0.00 0.00 33.47 29.84 2nyh s TRP 57 CO 0.00 0.12 0.69 -1.54 0.02 0.00 0.00 176.95 176.24 2nyh s SER 58 N -2.18 -0.53 0.03 2.95 1.04 -0.29 -0.92 113.70 113.79 2nyh s SER 58 Ca 0.53 0.13 0.01 0.00 0.48 0.00 0.00 55.95 57.10 2nyh s SER 58 Cb -0.11 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.52 2nyh s SER 58 CO 0.18 -0.82 -0.06 -0.72 0.98 0.00 0.00 173.24 172.80 2nyh s TYR 59 N -3.12 0.52 -0.07 5.02 1.13 -0.94 -0.88 117.35 119.00 2nyh s TYR 59 Ca -0.00 -0.49 -0.07 0.00 -1.41 0.00 0.00 57.07 55.10 2nyh s TYR 59 Cb -0.01 -0.32 -0.04 0.00 -1.10 0.00 0.00 41.96 40.48 2nyh s TYR 59 CO -0.08 -0.12 0.19 -1.14 -2.51 0.00 0.00 175.55 171.90 2nyh s GLN 60 N -1.48 3.51 0.01 -3.49 0.74 -1.26 -0.87 119.66 116.82 2nyh s GLN 60 Ca -0.11 -0.09 0.09 0.00 0.05 0.00 0.00 55.36 55.29 2nyh s GLN 60 Cb -0.10 -3.16 -0.02 0.00 1.10 0.00 0.00 33.01 30.83 2nyh s GLN 60 CO -0.00 0.74 -0.26 -0.51 -0.55 0.00 0.00 175.29 174.70 2nyh s LEU 61 N -1.27 2.10 -0.00 3.68 1.43 0.62 -0.19 118.68 125.05 2nyh s LEU 61 Ca 0.20 -0.52 0.07 0.00 -1.03 0.00 0.00 54.13 52.84 2nyh s LEU 61 Cb -0.13 -1.32 -0.02 0.00 0.03 0.00 0.00 46.19 44.76 2nyh s LEU 61 CO 0.09 0.29 -0.22 0.00 0.23 0.00 0.00 176.35 176.74 2nyh s ALA 62 N -0.69 1.87 0.21 4.21 0.00 -0.65 -0.91 121.76 125.80 2nyh s ALA 62 Ca 0.11 -1.00 -0.22 0.00 0.00 0.00 0.00 51.96 50.84 2nyh s ALA 62 Cb -0.10 -0.45 0.05 0.00 0.00 0.00 0.00 23.12 22.61 2nyh s ALA 62 CO 0.00 0.45 0.71 -0.59 0.00 0.00 0.00 175.76 176.33 2nyh s PHE 63 N -0.59 -0.31 0.48 0.00 -0.71 -0.63 -3.67 117.98 112.55 2nyh s PHE 63 Ca 0.09 -0.03 -0.00 0.00 -1.04 0.00 0.00 56.93 55.95 2nyh s PHE 63 Cb -0.09 0.64 0.00 0.00 -1.21 0.00 0.00 43.02 42.37 2nyh s PHE 63 CO -0.00 -1.03 0.71 0.95 -1.34 0.00 0.00 175.22 174.51 2nyh s THR 64 N -3.76 3.74 0.44 -4.49 -4.23 -1.26 -0.71 115.64 105.36 2nyh s THR 64 Ca 0.07 -0.48 0.16 0.00 -1.18 0.00 0.00 61.69 60.26 2nyh s THR 64 Cb -0.04 -3.39 0.35 0.00 1.34 0.00 0.00 72.50 70.76 2nyh s THR 64 CO -0.01 -0.29 1.95 -0.61 -0.54 0.00 0.00 174.62 175.12 2nyh h GLN 65 N 0.29 0.37 0.00 3.99 5.75 -1.89 -1.48 115.11 122.13 2nyh h GLN 65 Ca -0.45 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 2nyh h GLN 65 Cb 1.26 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.73 2nyh h GLN 65 CO 0.57 0.25 0.00 0.39 -2.65 0.00 0.00 178.83 177.38 2nyh n GLU 66 N -4.47 0.14 0.00 1.69 4.71 -1.26 -2.33 120.64 119.13 2nyh n GLU 66 Ca 0.12 0.21 0.10 0.00 -0.01 0.00 0.00 57.16 57.58 2nyh n GLU 66 Cb 0.47 -1.70 -0.07 0.00 -1.01 0.00 0.00 31.44 29.14 2nyh n GLU 66 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 2nyh n GLN 67 N -1.95 0.19 0.01 3.49 6.02 -0.62 -4.72 117.38 119.80 2nyh n GLN 67 Ca 0.05 -0.15 -0.10 0.00 -0.01 0.00 0.00 57.00 56.79 2nyh n GLN 67 Cb 0.33 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.05 2nyh n GLN 67 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 2nyh h PHE 68 N 0.38 -0.21 -0.54 1.08 3.04 -0.97 -2.48 116.94 117.23 2nyh h PHE 68 Ca 0.00 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.91 2nyh h PHE 68 Cb 0.54 0.11 -0.02 0.00 2.56 0.00 0.00 35.95 39.13 2nyh h PHE 68 CO 0.00 -0.13 0.14 0.00 -2.02 0.00 0.00 178.31 176.30 2nyh h ALA 69 N 0.96 0.71 -0.08 2.41 0.00 -1.84 -0.06 119.26 121.36 2nyh h ALA 69 Ca 0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2nyh h ALA 69 Cb 0.20 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2nyh h ALA 69 CO -0.15 0.40 0.04 -0.44 0.00 0.00 0.00 179.25 179.10 2nyh h ASP 70 N 0.76 0.11 0.02 0.00 3.32 -1.86 -1.43 116.42 117.34 2nyh h ASP 70 Ca 0.17 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 2nyh h ASP 70 Cb 0.33 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2nyh h ASP 70 CO 0.00 0.18 -0.01 0.25 -1.72 0.00 0.00 179.24 177.95 2nyh h LEU 71 N 0.02 -0.02 -0.46 1.55 5.85 -1.37 -2.69 115.31 118.19 2nyh h LEU 71 Ca 0.03 -0.54 -0.16 0.00 0.84 0.00 0.00 57.88 58.04 2nyh h LEU 71 Cb 0.10 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 2nyh h LEU 71 CO -0.00 0.54 -0.51 0.58 -0.34 0.00 0.00 178.44 178.71 2nyh h VAL 72 N -0.59 1.30 -0.43 1.05 2.07 -1.07 0.58 116.25 119.15 2nyh h VAL 72 Ca -0.00 -1.71 0.06 0.00 0.82 0.00 0.00 66.70 65.86 2nyh h VAL 72 Cb 0.56 1.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.93 2nyh h VAL 72 CO 0.00 0.55 0.13 1.23 0.02 0.00 0.00 177.57 179.50 2nyh h GLY 73 N 0.91 0.55 1.00 2.17 0.00 -1.35 0.93 103.07 107.28 2nyh h GLY 73 Ca 0.02 -0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.22 2nyh h GLY 73 CO 0.10 -0.01 0.03 -0.25 0.00 0.00 0.00 176.54 176.42 2nyh h TRP 74 N 0.28 0.94 -0.65 5.60 7.01 -1.11 -2.46 115.95 125.56 2nyh h TRP 74 Ca 0.21 -0.15 -0.06 0.00 2.11 0.00 0.00 58.89 60.99 2nyh h TRP 74 Cb 0.23 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 27.01 2nyh h TRP 74 CO -0.18 0.87 0.16 -0.07 -2.79 0.00 0.00 178.44 176.44 2nyh h LEU 75 N 0.74 0.96 -0.79 0.65 3.38 -0.66 -0.96 115.31 118.64 2nyh h LEU 75 Ca 0.15 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2nyh h LEU 75 Cb 0.47 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 2nyh h LEU 75 CO 0.02 0.93 0.33 0.74 0.09 0.00 0.00 178.44 180.55 2nyh h THR 76 N 0.98 1.26 -0.05 0.22 2.02 -0.53 -0.43 112.91 116.37 2nyh h THR 76 Ca 0.21 -0.78 -0.13 0.00 0.77 0.00 0.00 66.41 66.47 2nyh h THR 76 Cb 0.34 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 2nyh h THR 76 CO -0.00 0.32 -0.58 -0.07 0.37 0.00 0.00 175.52 175.56 2nyh h LEU 77 N 1.13 0.18 -1.93 2.58 3.38 -1.08 -3.38 115.31 116.19 2nyh h LEU 77 Ca 0.26 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2nyh h LEU 77 Cb 0.19 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2nyh h LEU 77 CO -0.03 0.72 0.00 0.59 0.09 0.00 0.00 178.44 179.81 2nyh n ASN 78 N -3.88 1.63 0.20 -0.43 3.02 -0.40 -4.70 115.26 110.70 2nyh n ASN 78 Ca -0.02 -1.50 0.14 0.00 -0.03 0.00 0.00 54.58 53.18 2nyh n ASN 78 Cb 0.59 -0.02 0.51 0.00 -0.61 0.00 0.00 39.78 40.26 2nyh n ASN 78 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 2nyh h HIS 79 N 0.41 0.00 0.00 3.10 2.07 -1.27 -3.48 115.15 115.97 2nyh h HIS 79 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2nyh h HIS 79 Cb 0.29 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.27 2nyh h HIS 79 CO 0.02 0.00 0.00 0.41 -3.07 0.00 0.00 177.93 175.29 2nyh n GLY 80 N 0.35 3.61 0.00 6.13 0.00 -1.26 -2.07 105.19 111.94 2nyh n GLY 80 Ca 0.02 -0.05 0.15 0.00 0.00 0.00 0.00 46.02 46.13 2nyh n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nyh n ALA 81 N 11.70 2.46 -2.64 4.61 0.00 -1.26 -4.85 120.51 130.54 2nyh n ALA 81 Ca 0.00 -0.14 -0.41 0.00 0.00 0.00 0.00 53.44 52.89 2nyh n ALA 81 Cb 0.00 -1.48 -0.06 0.00 0.00 0.00 0.00 19.45 17.91 2nyh n ALA 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2nyh s LEU 82 N -2.59 4.08 0.39 0.00 1.43 -0.88 -5.04 118.68 116.07 2nyh s LEU 82 Ca 0.28 0.84 -0.24 0.00 -1.03 0.00 0.00 54.13 53.97 2nyh s LEU 82 Cb 0.20 -2.97 -0.09 0.00 0.03 0.00 0.00 46.19 43.36 2nyh s LEU 82 CO 0.46 -0.40 1.06 -1.81 0.23 0.00 0.00 176.35 175.89 2nyh s ASP 83 N 1.39 6.76 -0.10 2.29 1.01 -1.25 -4.83 116.67 121.94 2nyh s ASP 83 Ca 0.29 2.08 -0.01 0.00 0.71 0.00 0.00 52.55 55.63 2nyh s ASP 83 Cb -0.15 -2.59 0.03 0.00 1.01 0.00 0.00 42.92 41.21 2nyh s ASP 83 CO 0.08 -0.49 -0.05 -0.63 0.21 0.00 0.00 175.17 174.29 2nyh s ILE 84 N -1.60 0.83 -0.21 0.77 1.01 -0.53 -0.69 121.20 120.79 2nyh s ILE 84 Ca 0.57 -0.17 -0.19 0.00 0.00 0.00 0.00 60.65 60.86 2nyh s ILE 84 Cb -0.24 -0.89 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 2nyh s ILE 84 CO 0.29 0.33 0.56 0.12 0.00 0.00 0.00 174.94 176.24 2nyh s PHE 85 N 1.74 3.35 0.05 3.97 5.36 -0.35 -0.34 117.98 131.77 2nyh s PHE 85 Ca 0.04 0.80 0.09 0.00 -0.96 0.00 0.00 56.93 56.90 2nyh s PHE 85 Cb -0.13 -2.72 -0.03 0.00 -0.34 0.00 0.00 43.02 39.80 2nyh s PHE 85 CO -0.07 -0.16 -0.26 -0.51 -1.46 0.00 0.00 175.22 172.76 2nyh s LEU 86 N 1.86 2.18 -0.03 6.12 1.02 0.13 0.23 118.68 130.19 2nyh s LEU 86 Ca 0.25 -0.60 -0.19 0.00 0.02 0.00 0.00 54.13 53.61 2nyh s LEU 86 Cb -0.16 -1.27 0.04 0.00 0.02 0.00 0.00 46.19 44.82 2nyh s LEU 86 CO 0.10 0.25 0.41 -1.38 0.02 0.00 0.00 176.35 175.74 2nyh s HIS 87 N -0.82 -0.31 0.60 0.29 -3.43 -0.46 -0.76 115.29 110.39 2nyh s HIS 87 Ca 0.12 0.52 -0.14 0.00 -0.80 0.00 0.00 55.06 54.76 2nyh s HIS 87 Cb -0.10 0.18 -0.04 0.00 -1.43 0.00 0.00 32.58 31.19 2nyh s HIS 87 CO 0.02 -0.44 1.03 -1.25 -2.00 0.00 0.00 174.74 172.10 2nyh s PRO 88 N -1.24 3.49 -0.34 -0.38 0.04 -1.26 -0.90 135.00 134.40 2nyh s PRO 88 Ca -0.12 0.97 -0.07 0.00 0.04 0.00 0.00 61.00 61.81 2nyh s PRO 88 Cb -0.04 -2.06 0.04 0.00 0.04 0.00 0.00 34.50 32.47 2nyh s PRO 88 CO 0.06 -0.66 0.12 -0.80 0.04 0.00 0.00 177.00 175.76 2nyh s ASN 89 N -3.43 5.39 0.00 6.66 0.01 0.69 -4.80 114.94 119.46 2nyh s ASN 89 Ca 0.59 -1.09 0.08 0.00 -0.71 0.00 0.00 52.86 51.73 2nyh s ASN 89 Cb -0.13 -1.90 0.12 0.00 0.41 0.00 0.00 41.25 39.75 2nyh s ASN 89 CO 0.43 -0.33 0.90 0.35 -1.51 0.00 0.00 177.10 176.94 2nyh n THR 90 N 4.85 0.30 -0.22 1.60 -2.24 -1.26 -0.39 114.28 116.92 2nyh n THR 90 Ca -0.12 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 2nyh n THR 90 Cb 0.45 0.97 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 2nyh n THR 90 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nyh n GLY 91 N 0.42 0.88 2.45 3.38 0.00 -1.26 -4.95 105.19 106.11 2nyh n GLY 91 Ca 0.06 -0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 2nyh n GLY 91 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2nyh s ASP 92 N -2.10 2.33 0.19 1.61 -1.08 -1.26 -5.03 116.67 111.33 2nyh s ASP 92 Ca 0.00 -2.45 -0.13 0.00 -0.52 0.00 0.00 52.55 49.45 2nyh s ASP 92 Cb 0.00 -0.35 0.20 0.00 -1.46 0.00 0.00 42.92 41.31 2nyh s ASP 92 CO 0.00 -0.26 1.71 0.00 0.52 0.00 0.00 175.17 177.14 2nyh h ALA 93 N 6.54 0.57 0.27 3.66 0.00 -1.96 0.40 119.26 128.73 2nyh h ALA 93 Ca 0.13 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2nyh h ALA 93 Cb 0.95 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2nyh h ALA 93 CO 0.29 -0.32 -0.13 1.25 0.00 0.00 0.00 179.25 180.34 2nyh h LEU 94 N 0.22 -0.31 -0.84 0.00 5.85 -1.97 -2.51 115.31 115.74 2nyh h LEU 94 Ca 0.26 -0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.82 2nyh h LEU 94 Cb 0.36 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 2nyh h LEU 94 CO -0.35 -0.16 -0.57 0.03 -0.34 0.00 0.00 178.44 177.05 2nyh h ARG 95 N -0.43 0.00 -0.59 1.25 3.08 -1.92 0.43 114.38 116.20 2nyh h ARG 95 Ca -0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2nyh h ARG 95 Cb 0.33 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 2nyh h ARG 95 CO 0.06 0.57 0.32 -0.44 -1.07 0.00 0.00 179.97 179.41 2nyh h ASP 96 N 0.00 0.74 0.01 7.04 3.32 -0.85 0.11 116.42 126.79 2nyh h ASP 96 Ca -0.01 -0.09 -0.12 0.00 0.02 0.00 0.00 57.03 56.83 2nyh h ASP 96 Cb 1.02 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 40.39 2nyh h ASP 96 CO 0.07 0.62 -0.48 0.45 -1.72 0.00 0.00 179.24 178.18 2nyh h HIS 97 N 0.80 0.46 0.06 4.55 3.86 -1.30 -2.89 115.15 120.69 2nyh h HIS 97 Ca 0.21 -0.26 -0.18 0.00 -1.16 0.00 0.00 60.37 58.98 2nyh h HIS 97 Cb 0.04 -0.05 0.02 0.00 1.06 0.00 0.00 27.41 28.48 2nyh h HIS 97 CO -0.01 1.09 -0.72 -0.09 0.86 0.00 0.00 177.93 179.05 2nyh h ARG 98 N -0.30 0.38 0.00 2.45 2.43 -0.88 -3.35 114.38 115.10 2nyh h ARG 98 Ca -0.06 -0.49 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 2nyh h ARG 98 Cb 1.23 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.94 2nyh h ARG 98 CO 0.09 1.17 -1.21 -0.25 -1.51 0.00 0.00 179.97 178.27 2nyh n ASP 99 N -4.16 1.52 -0.74 -3.80 8.00 0.34 -4.58 116.55 113.14 2nyh n ASP 99 Ca -0.12 -0.30 0.03 0.00 0.71 0.00 0.00 54.79 55.12 2nyh n ASP 99 Cb 0.75 1.37 0.20 0.00 -0.02 0.00 0.00 41.12 43.42 2nyh n ASP 99 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2nyh n ALA 100 N -1.70 3.74 -1.95 2.24 0.00 -0.87 -5.01 120.51 116.96 2nyh n ALA 100 Ca -0.01 -3.18 -0.41 0.00 0.00 0.00 0.00 53.44 49.85 2nyh n ALA 100 Cb 0.28 -0.48 -0.05 0.00 0.00 0.00 0.00 19.45 19.20 2nyh n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2nyh s ALA 101 N -3.20 3.35 -0.00 0.00 0.00 -1.21 -4.26 121.76 116.43 2nyh s ALA 101 Ca 0.40 0.73 0.05 0.00 0.00 0.00 0.00 51.96 53.14 2nyh s ALA 101 Cb 0.37 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 20.18 2nyh s ALA 101 CO -0.04 -0.05 -0.16 0.08 0.00 0.00 0.00 175.76 175.59 2nyh s VAL 102 N -0.64 1.26 -0.08 0.00 1.01 0.06 -5.00 120.40 117.01 2nyh s VAL 102 Ca 0.46 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.68 2nyh s VAL 102 Cb -0.28 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.06 2nyh s VAL 102 CO 0.34 0.30 -0.06 0.26 0.00 0.00 0.00 175.10 175.95 2nyh s TRP 103 N -0.46 1.12 -0.34 5.22 0.52 -1.26 0.21 118.94 123.94 2nyh s TRP 103 Ca 0.06 -0.46 -0.21 0.00 0.02 0.00 0.00 56.10 55.51 2nyh s TRP 103 Cb -0.06 -0.99 0.00 0.00 -1.15 0.00 0.00 33.47 31.27 2nyh s TRP 103 CO -0.00 -0.37 0.69 0.42 0.02 0.00 0.00 176.95 177.71 2nyh s ILE 104 N 1.48 4.85 0.00 2.03 1.01 0.54 -4.68 121.20 126.44 2nyh s ILE 104 Ca -0.01 0.77 0.00 0.00 0.00 0.00 0.00 60.65 61.41 2nyh s ILE 104 Cb -0.13 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.23 2nyh s ILE 104 CO -0.04 -0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.20 2nyh n GLY 105 N 4.54 1.07 3.10 6.18 0.00 -1.26 -1.45 105.19 117.38 2nyh n GLY 105 Ca 0.00 -0.78 -0.16 0.00 0.00 0.00 0.00 46.02 45.08 2nyh n GLY 105 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2nyh s HIS 106 N 0.00 0.92 0.50 1.61 3.76 -1.26 -5.09 115.29 115.73 2nyh s HIS 106 Ca 0.00 -0.43 -0.08 0.00 -0.15 0.00 0.00 55.06 54.40 2nyh s HIS 106 Cb 0.00 -0.54 -0.05 0.00 1.11 0.00 0.00 32.58 33.11 2nyh s HIS 106 CO 0.00 -0.01 0.85 -1.54 -0.85 0.00 0.00 174.74 173.19 2nyh s SER 107 N -1.44 6.33 0.10 1.40 1.04 -1.26 -4.77 113.70 115.10 2nyh s SER 107 Ca -0.05 1.13 0.04 0.00 0.48 0.00 0.00 55.95 57.55 2nyh s SER 107 Cb -0.09 -2.33 -0.04 0.00 0.10 0.00 0.00 66.02 63.66 2nyh s SER 107 CO 0.01 -0.61 -0.10 -1.00 0.98 0.00 0.00 173.24 172.52 2nyh s HIS 108 N -2.76 1.08 -0.30 5.02 3.76 -1.26 -5.12 115.29 115.71 2nyh s HIS 108 Ca 0.51 -0.69 -0.29 0.00 -0.15 0.00 0.00 55.06 54.44 2nyh s HIS 108 Cb -0.10 -0.59 0.01 0.00 1.11 0.00 0.00 32.58 33.02 2nyh s HIS 108 CO 0.43 0.00 1.06 -1.21 -0.85 0.00 0.00 174.74 174.17 2nyh s GLU 109 N -3.02 4.11 0.54 1.40 0.41 -1.26 -5.02 118.70 115.87 2nyh s GLU 109 Ca 0.08 1.13 -0.16 0.00 -0.41 0.00 0.00 54.97 55.61 2nyh s GLU 109 Cb -0.01 -3.71 -0.07 0.00 -1.78 0.00 0.00 34.13 28.56 2nyh s GLU 109 CO -0.00 -0.83 1.00 -0.51 -0.49 0.00 0.00 175.26 174.43 2nyh s LEU 110 N 3.52 3.54 -1.15 1.80 1.43 -1.26 -4.59 118.68 121.97 2nyh s LEU 110 Ca 0.45 1.58 -0.11 0.00 -1.03 0.00 0.00 54.13 55.02 2nyh s LEU 110 Cb -0.13 -4.51 0.24 0.00 0.03 0.00 0.00 46.19 41.82 2nyh s LEU 110 CO 0.13 -0.71 1.23 -0.69 0.23 0.00 0.00 176.35 176.53 2nyh s VAL 111 N -2.69 5.65 0.03 -1.59 1.01 0.52 -4.88 120.40 118.46 2nyh s VAL 111 Ca 0.59 -3.13 0.29 0.00 0.00 0.00 0.00 61.98 59.73 2nyh s VAL 111 Cb -0.11 -4.72 0.34 0.00 0.00 0.00 0.00 36.38 31.89 2nyh s VAL 111 CO 0.36 -1.35 1.88 -0.07 0.00 0.00 0.00 175.10 175.92 2nyh h LEU 112 N 7.79 0.00 -2.55 3.92 3.38 -1.94 -1.20 115.31 124.70 2nyh h LEU 112 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2nyh h LEU 112 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2nyh h LEU 112 CO 1.10 0.07 0.00 0.77 0.09 0.00 0.00 178.44 180.46 2nyh h SER 113 N 0.00 0.00 0.81 -0.43 4.64 -1.97 -0.72 113.55 115.88 2nyh h SER 113 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2nyh h SER 113 Cb 0.65 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.74 2nyh h SER 113 CO 0.01 0.00 -0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2nyh h ALA 114 N 2.01 1.00 0.00 5.18 0.00 -1.51 -3.51 119.26 122.42 2nyh h ALA 114 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2nyh h ALA 114 Cb 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2nyh h ALA 114 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53