#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fyh s ARG 2 N 0.00 3.97 0.55 3.17 1.70 -0.91 -2.94 118.95 124.49 2fyh s ARG 2 Ca 0.00 -2.78 -0.18 0.00 -0.47 0.00 0.00 55.73 52.30 2fyh s ARG 2 Cb 0.00 -4.64 -0.05 0.00 -0.57 0.00 0.00 34.95 29.69 2fyh s ARG 2 CO 0.00 -1.39 1.08 0.00 -1.08 0.00 0.00 175.30 173.91 2fyh s ALA 3 N -0.05 2.73 -0.21 7.88 0.00 -0.85 -2.00 121.76 129.26 2fyh s ALA 3 Ca 0.29 0.63 -0.27 0.00 0.00 0.00 0.00 51.96 52.61 2fyh s ALA 3 Cb -0.08 -3.29 0.08 0.00 0.00 0.00 0.00 23.12 19.83 2fyh s ALA 3 CO -0.07 -0.69 0.79 -0.59 0.00 0.00 0.00 175.76 175.20 2fyh s PHE 4 N -2.06 -0.67 -0.10 0.00 -0.12 0.17 -1.79 117.98 113.41 2fyh s PHE 4 Ca 0.68 1.50 -0.04 0.00 -0.05 0.00 0.00 56.93 59.02 2fyh s PHE 4 Cb -0.19 0.33 -0.04 0.00 -0.63 0.00 0.00 43.02 42.50 2fyh s PHE 4 CO 0.29 -0.40 0.06 0.96 -0.05 0.00 0.00 175.22 176.07 2fyh s ILE 5 N -0.14 4.82 0.25 -4.49 -4.36 -0.37 -0.57 121.20 116.34 2fyh s ILE 5 Ca -0.02 -0.06 0.01 0.00 -0.26 0.00 0.00 60.65 60.32 2fyh s ILE 5 Cb -0.03 -3.06 -0.04 0.00 1.25 0.00 0.00 42.46 40.57 2fyh s ILE 5 CO 0.02 0.60 0.12 0.00 0.24 0.00 0.00 174.94 175.93 2fyh s ALA 6 N -0.95 1.63 -0.28 2.27 0.00 0.91 -1.54 121.76 123.79 2fyh s ALA 6 Ca 0.14 -1.80 -0.07 0.00 0.00 0.00 0.00 51.96 50.23 2fyh s ALA 6 Cb -0.12 1.18 -0.01 0.00 0.00 0.00 0.00 23.12 24.17 2fyh s ALA 6 CO 0.03 -0.51 0.09 0.42 0.00 0.00 0.00 175.76 175.79 2fyh s ILE 7 N -3.82 4.16 0.03 0.00 1.01 -0.79 -2.23 121.20 119.56 2fyh s ILE 7 Ca 0.38 -0.49 -0.39 0.00 0.00 0.00 0.00 60.65 60.15 2fyh s ILE 7 Cb 0.07 -3.08 -0.19 0.00 0.01 0.00 0.00 42.46 39.27 2fyh s ILE 7 CO 0.14 0.16 1.17 -0.90 0.00 0.00 0.00 174.94 175.52 2fyh n ASP 8 N 4.90 0.61 -4.17 3.58 5.68 -1.26 -3.83 116.55 122.06 2fyh n ASP 8 Ca -0.15 1.14 -0.40 0.00 -0.50 0.00 0.00 54.79 54.89 2fyh n ASP 8 Cb 0.49 -1.02 -0.07 0.00 -1.14 0.00 0.00 41.12 39.38 2fyh n ASP 8 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 2fyh s VAL 9 N 0.21 4.31 1.02 2.12 -7.23 -1.26 -4.99 120.40 114.59 2fyh s VAL 9 Ca 0.89 -2.74 -0.22 0.00 -1.81 0.00 0.00 61.98 58.10 2fyh s VAL 9 Cb -1.16 -3.76 -0.10 0.00 0.56 0.00 0.00 36.38 31.93 2fyh s VAL 9 CO 0.54 -0.92 -0.87 -0.24 -0.31 0.00 0.00 175.10 173.30 2fyh n SER 10 N 3.72 -3.39 -0.29 4.85 2.88 -1.26 -3.99 113.62 116.14 2fyh n SER 10 Ca 0.09 0.04 0.08 0.00 -1.33 0.00 0.00 58.87 57.74 2fyh n SER 10 Cb 0.41 -0.72 0.23 0.00 -0.75 0.00 0.00 64.21 63.37 2fyh n SER 10 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2fyh h GLU 11 N -1.30 0.53 -1.63 -1.46 4.39 -1.97 0.94 114.58 114.08 2fyh h GLU 11 Ca -0.44 -0.03 0.47 0.00 0.34 0.00 0.00 59.36 59.70 2fyh h GLU 11 Cb 1.36 -0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 29.82 2fyh h GLU 11 CO 0.27 0.35 1.17 0.66 -1.16 0.00 0.00 179.01 180.30 2fyh h SER 12 N 0.55 0.01 0.00 1.42 4.64 -1.94 0.13 113.55 118.36 2fyh h SER 12 Ca 0.47 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 61.40 2fyh h SER 12 Cb 0.72 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.75 2fyh h SER 12 CO -0.40 -0.00 -2.19 0.52 -0.87 0.00 0.00 176.83 173.89 2fyh n VAL 13 N -4.06 1.53 -0.11 0.95 0.31 0.23 -3.66 118.33 113.52 2fyh n VAL 13 Ca 0.36 -0.28 -0.08 0.00 -0.01 0.00 0.00 64.34 64.33 2fyh n VAL 13 Cb 1.68 -1.94 -0.02 0.00 -0.91 0.00 0.00 33.84 32.65 2fyh n VAL 13 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2fyh h ARG 14 N -1.00 -0.25 -0.33 5.55 3.08 -0.23 0.36 114.38 121.55 2fyh h ARG 14 Ca -0.59 0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.41 2fyh h ARG 14 Cb 1.51 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.60 2fyh h ARG 14 CO -0.36 -0.17 -0.07 0.22 -1.07 0.00 0.00 179.97 178.52 2fyh h ASP 15 N -0.26 0.53 0.28 7.04 1.82 -1.03 -2.24 116.42 122.55 2fyh h ASP 15 Ca 0.17 -0.13 -0.01 0.00 -0.39 0.00 0.00 57.03 56.67 2fyh h ASP 15 Cb 0.54 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 40.40 2fyh h ASP 15 CO -0.52 0.65 -0.20 0.00 -1.61 0.00 0.00 179.24 177.56 2fyh h ALA 16 N 1.41 -1.00 -0.28 -0.78 0.00 -1.06 0.61 119.26 118.16 2fyh h ALA 16 Ca 0.10 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.98 2fyh h ALA 16 Cb 0.44 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 2fyh h ALA 16 CO 0.02 -0.99 -0.09 -0.07 0.00 0.00 0.00 179.25 178.12 2fyh h LEU 17 N -0.46 -0.32 -0.83 0.00 3.38 -1.20 -1.72 115.31 114.16 2fyh h LEU 17 Ca -0.04 0.09 0.16 0.00 0.09 0.00 0.00 57.88 58.18 2fyh h LEU 17 Cb 0.38 0.20 -0.10 0.00 0.09 0.00 0.00 40.66 41.23 2fyh h LEU 17 CO 0.02 -0.12 0.39 0.58 0.09 0.00 0.00 178.44 179.40 2fyh h VAL 18 N -0.03 0.67 -0.76 1.22 2.07 -1.36 -0.69 116.25 117.37 2fyh h VAL 18 Ca 0.14 -0.18 0.17 0.00 0.82 0.00 0.00 66.70 67.64 2fyh h VAL 18 Cb 0.24 0.08 -0.11 0.00 -1.52 0.00 0.00 31.29 29.98 2fyh h VAL 18 CO -0.30 0.10 0.21 -0.09 0.02 0.00 0.00 177.57 177.50 2fyh h ARG 19 N 0.54 0.28 -0.09 1.57 2.43 0.09 -0.96 114.38 118.24 2fyh h ARG 19 Ca 0.47 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.62 2fyh h ARG 19 Cb 0.71 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.19 2fyh h ARG 19 CO -0.40 0.19 0.05 0.00 -1.51 0.00 0.00 179.97 178.29 2fyh h ALA 20 N 1.62 0.11 -0.49 2.80 0.00 -1.08 -3.15 119.26 119.07 2fyh h ALA 20 Ca 0.43 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.34 2fyh h ALA 20 Cb 0.74 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.40 2fyh h ALA 20 CO -0.51 -0.34 -0.51 1.96 0.00 0.00 0.00 179.25 179.85 2fyh h GLN 21 N 0.03 -0.31 -1.42 0.00 4.20 -0.95 0.36 115.11 117.04 2fyh h GLN 21 Ca 0.03 0.02 0.48 0.00 0.06 0.00 0.00 58.65 59.24 2fyh h GLN 21 Cb 0.10 0.07 -0.13 0.00 0.30 0.00 0.00 27.48 27.82 2fyh h GLN 21 CO -0.00 -0.21 0.93 0.22 -0.67 0.00 0.00 178.83 179.10 2fyh h ASP 22 N -0.32 0.19 0.14 1.46 3.58 -1.42 0.66 116.42 120.72 2fyh h ASP 22 Ca 0.12 0.14 -0.19 0.00 0.42 0.00 0.00 57.03 57.51 2fyh h ASP 22 Cb 0.58 0.14 0.02 0.00 1.72 0.00 0.00 39.33 41.78 2fyh h ASP 22 CO -0.64 -0.22 -0.85 0.22 -2.88 0.00 0.00 179.24 174.87 2fyh h TYR 23 N 0.03 0.55 0.05 0.28 3.20 -0.41 -3.37 116.97 117.28 2fyh h TYR 23 Ca 0.87 -0.40 0.00 0.00 3.14 0.00 0.00 58.73 62.34 2fyh h TYR 23 Cb 2.85 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 41.09 2fyh h TYR 23 CO -0.01 1.33 -0.15 0.82 -1.64 0.00 0.00 178.16 178.52 2fyh h ILE 24 N -0.36 0.00 -1.76 1.81 2.04 0.21 -3.48 117.51 115.96 2fyh h ILE 24 Ca -0.15 0.00 0.19 0.00 1.00 0.00 0.00 64.86 65.90 2fyh h ILE 24 Cb 1.66 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.66 2fyh h ILE 24 CO 0.15 0.00 -0.49 0.61 0.00 0.00 0.00 178.15 178.42 2fyh n GLY 25 N -1.14 -2.39 2.53 5.37 0.00 -0.65 -4.78 105.19 104.14 2fyh n GLY 25 Ca -0.03 -1.29 -0.16 0.00 0.00 0.00 0.00 46.02 44.55 2fyh n GLY 25 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2fyh n SER 26 N -3.42 3.10 0.07 1.61 2.88 -1.26 -4.82 113.62 111.77 2fyh n SER 26 Ca -0.02 -3.11 -0.04 0.00 -1.33 0.00 0.00 58.87 54.37 2fyh n SER 26 Cb 0.35 -0.47 -0.02 0.00 -0.75 0.00 0.00 64.21 63.32 2fyh n SER 26 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2fyh h LYS 27 N 2.68 -0.24 0.16 -1.46 1.57 -2.00 -3.40 116.57 113.88 2fyh h LYS 27 Ca 0.10 0.02 -0.35 0.00 -1.87 0.00 0.00 60.65 58.54 2fyh h LYS 27 Cb 1.15 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 2fyh h LYS 27 CO 0.61 -0.16 -1.82 1.05 -0.57 0.00 0.00 179.45 178.56 2fyh h GLU 28 N -0.80 0.33 -6.01 3.15 9.09 -1.95 -3.47 114.58 114.93 2fyh h GLU 28 Ca -0.03 -0.57 -0.59 0.00 0.05 0.00 0.00 59.36 58.22 2fyh h GLU 28 Cb 0.19 0.21 -0.04 0.00 -1.65 0.00 0.00 28.75 27.46 2fyh h GLU 28 CO 0.04 1.25 -0.50 0.00 0.05 0.00 0.00 179.01 179.85 2fyh s ALA 29 N -2.57 3.92 -0.35 1.06 0.00 -1.26 -3.53 121.76 119.02 2fyh s ALA 29 Ca -0.17 -0.95 -0.07 0.00 0.00 0.00 0.00 51.96 50.76 2fyh s ALA 29 Cb 0.06 -1.74 0.04 0.00 0.00 0.00 0.00 23.12 21.48 2fyh s ALA 29 CO 0.83 0.69 0.13 0.15 0.00 0.00 0.00 175.76 177.56 2fyh s LYS 30 N -2.80 2.64 -0.06 0.00 -0.14 -1.00 -4.32 119.74 114.06 2fyh s LYS 30 Ca 0.34 -1.18 0.00 0.00 -1.36 0.00 0.00 55.97 53.77 2fyh s LYS 30 Cb -0.12 -3.52 0.02 0.00 -1.68 0.00 0.00 37.83 32.53 2fyh s LYS 30 CO 0.27 -0.69 -0.04 0.42 -0.76 0.00 0.00 175.35 174.56 2fyh s ILE 31 N 1.42 0.55 -0.68 2.17 1.01 -1.26 -0.69 121.20 123.73 2fyh s ILE 31 Ca -0.01 -0.08 -0.21 0.00 0.00 0.00 0.00 60.65 60.35 2fyh s ILE 31 Cb -0.20 -0.61 0.09 0.00 0.01 0.00 0.00 42.46 41.76 2fyh s ILE 31 CO 0.03 0.25 0.91 -0.54 0.00 0.00 0.00 174.94 175.59 2fyh s LYS 32 N 1.23 3.16 1.35 2.79 -0.14 -0.89 -4.93 119.74 122.31 2fyh s LYS 32 Ca -0.06 -1.11 -0.22 0.00 -1.36 0.00 0.00 55.97 53.22 2fyh s LYS 32 Cb -0.14 -4.33 0.35 0.00 -1.68 0.00 0.00 37.83 32.04 2fyh s LYS 32 CO -0.02 -1.73 0.81 1.19 -0.76 0.00 0.00 175.35 174.84 2fyh n PHE 33 N 7.13 -3.68 -4.61 3.18 3.72 -1.26 -3.62 117.46 118.33 2fyh n PHE 33 Ca -0.02 -0.76 -0.22 0.00 -0.05 0.00 0.00 57.45 56.40 2fyh n PHE 33 Cb 0.45 -1.15 -0.15 0.00 -0.94 0.00 0.00 39.48 37.69 2fyh n PHE 33 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2fyh s VAL 34 N -2.05 1.06 0.58 -4.37 1.01 -1.04 -4.86 120.40 110.73 2fyh s VAL 34 Ca 0.62 -0.59 -0.14 0.00 0.00 0.00 0.00 61.98 61.87 2fyh s VAL 34 Cb -0.11 -0.89 -0.12 0.00 0.00 0.00 0.00 36.38 35.26 2fyh s VAL 34 CO 0.52 0.29 -0.34 -0.62 0.00 0.00 0.00 175.10 174.95 2fyh n GLU 35 N 2.73 0.00 -0.08 2.72 -0.58 -1.26 -4.78 120.64 119.39 2fyh n GLU 35 Ca -0.14 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.48 2fyh n GLU 35 Cb 0.55 -0.82 -0.05 0.00 -0.57 0.00 0.00 31.44 30.56 2fyh n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2fyh h ARG 36 N -0.34 0.40 0.00 3.49 3.08 -1.99 -2.43 114.38 116.59 2fyh h ARG 36 Ca -0.35 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2fyh h ARG 36 Cb 1.13 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.15 2fyh h ARG 36 CO 0.28 0.61 0.00 0.39 -1.07 0.00 0.00 179.97 180.17 2fyh n GLU 37 N -4.64 0.81 -0.10 0.04 4.71 -1.26 -2.43 120.64 117.77 2fyh n GLU 37 Ca -0.04 0.00 0.05 0.00 -0.01 0.00 0.00 57.16 57.16 2fyh n GLU 37 Cb 0.25 -1.11 0.10 0.00 -1.01 0.00 0.00 31.44 29.67 2fyh n GLU 37 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2fyh n ASN 38 N -0.61 2.48 -0.42 1.62 5.03 -0.92 -4.46 115.26 117.98 2fyh n ASN 38 Ca 0.04 -1.80 0.07 0.00 0.87 0.00 0.00 54.58 53.77 2fyh n ASN 38 Cb 0.02 -0.13 0.26 0.00 -1.02 0.00 0.00 39.78 38.90 2fyh n ASN 38 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 2fyh n PHE 39 N 0.46 0.24 -1.63 3.10 3.72 -1.02 -4.88 117.46 117.45 2fyh n PHE 39 Ca 0.09 -0.12 -0.48 0.00 -0.05 0.00 0.00 57.45 56.89 2fyh n PHE 39 Cb 0.35 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.85 2fyh n PHE 39 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 176.76 174.32 2fyh n HIS 40 N 0.11 1.84 -2.13 1.38 1.44 -1.26 -4.86 115.22 111.73 2fyh n HIS 40 Ca 0.12 0.49 -0.43 0.00 -2.01 0.00 0.00 57.72 55.89 2fyh n HIS 40 Cb 0.23 -2.41 -0.02 0.00 0.12 0.00 0.00 29.99 27.90 2fyh n HIS 40 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2fyh s ILE 41 N 0.29 3.71 -0.51 0.61 1.01 -1.25 -4.84 121.20 120.23 2fyh s ILE 41 Ca 0.76 0.78 -0.27 0.00 0.00 0.00 0.00 60.65 61.93 2fyh s ILE 41 Cb -0.78 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 37.89 2fyh s ILE 41 CO 0.46 -0.36 2.11 -0.89 0.00 0.00 0.00 174.94 176.27 2fyh s THR 42 N 5.40 3.20 -0.08 2.92 2.01 -1.26 -1.88 115.64 125.96 2fyh s THR 42 Ca 0.71 0.14 -0.26 0.00 0.31 0.00 0.00 61.69 62.58 2fyh s THR 42 Cb -0.23 -3.46 -0.24 0.00 0.01 0.00 0.00 72.50 68.58 2fyh s THR 42 CO 0.30 -0.42 0.97 0.25 -0.69 0.00 0.00 174.62 175.03 2fyh h LEU 43 N 17.40 0.14 -7.28 4.42 6.46 -1.61 -3.45 115.31 131.38 2fyh h LEU 43 Ca -0.27 -0.82 -0.13 0.00 -0.12 0.00 0.00 57.88 56.55 2fyh h LEU 43 Cb 1.21 -0.04 -0.26 0.00 -0.73 0.00 0.00 40.66 40.84 2fyh h LEU 43 CO 1.16 0.94 -0.29 -0.75 -0.62 0.00 0.00 178.44 178.87 2fyh s LYS 44 N -2.95 0.41 0.09 1.25 2.36 -1.05 -4.86 119.74 114.99 2fyh s LYS 44 Ca -0.17 0.66 -0.00 0.00 -2.55 0.00 0.00 55.97 53.91 2fyh s LYS 44 Cb -0.00 0.09 -0.04 0.00 -1.05 0.00 0.00 37.83 36.82 2fyh s LYS 44 CO 0.72 -0.11 0.25 0.12 1.55 0.00 0.00 175.35 177.88 2fyh s PHE 45 N 0.82 3.51 0.04 4.03 5.36 -1.26 -1.24 117.98 129.24 2fyh s PHE 45 Ca -0.05 0.28 -0.02 0.00 -0.96 0.00 0.00 56.93 56.18 2fyh s PHE 45 Cb -0.06 -1.79 -0.01 0.00 -0.34 0.00 0.00 43.02 40.83 2fyh s PHE 45 CO -0.06 0.55 -0.03 1.28 -1.46 0.00 0.00 175.22 175.49 2fyh n LEU 46 N 0.10 0.82 0.00 6.12 4.77 -0.74 -4.97 117.00 123.11 2fyh n LEU 46 Ca -0.05 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 2fyh n LEU 46 Cb 0.52 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2fyh n LEU 46 CO 0.51 -0.62 0.00 0.61 -1.33 0.00 0.00 177.39 176.55 2fyh n GLY 47 N 3.20 1.00 3.70 -0.72 0.00 -0.87 -4.84 105.19 106.66 2fyh n GLY 47 Ca -0.01 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 2fyh n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2fyh s GLU 48 N 0.00 4.24 -0.06 1.61 2.12 -1.22 -2.02 118.70 123.37 2fyh s GLU 48 Ca 0.00 2.22 -0.19 0.00 0.36 0.00 0.00 54.97 57.36 2fyh s GLU 48 Cb 0.00 -3.42 0.04 0.00 0.26 0.00 0.00 34.13 31.01 2fyh s GLU 48 CO 0.00 -0.62 0.42 0.42 -0.54 0.00 0.00 175.26 174.95 2fyh s ILE 49 N 1.94 0.03 0.04 -3.70 1.01 -1.15 -4.99 121.20 114.38 2fyh s ILE 49 Ca 0.69 -0.27 -0.10 0.00 0.00 0.00 0.00 60.65 60.97 2fyh s ILE 49 Cb -0.39 -0.70 -0.06 0.00 0.01 0.00 0.00 42.46 41.33 2fyh s ILE 49 CO 0.31 -0.15 0.37 0.42 0.00 0.00 0.00 174.94 175.89 2fyh s THR 50 N -0.95 5.13 0.59 2.92 -4.23 -1.26 -4.43 115.64 113.40 2fyh s THR 50 Ca -0.10 0.50 0.34 0.00 -1.18 0.00 0.00 61.69 61.25 2fyh s THR 50 Cb -0.04 -3.64 0.50 0.00 1.34 0.00 0.00 72.50 70.67 2fyh s THR 50 CO 0.05 0.39 1.52 -0.08 -0.54 0.00 0.00 174.62 175.95 2fyh h GLU 51 N 4.07 0.00 0.00 3.99 4.81 -2.01 0.49 114.58 125.93 2fyh h GLU 51 Ca -0.50 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.68 2fyh h GLU 51 Cb 1.20 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 2fyh h GLU 51 CO 0.65 0.00 -0.28 0.93 -0.73 0.00 0.00 179.01 179.58 2fyh h GLU 52 N 0.00 0.00 0.00 1.92 4.39 -2.03 -3.34 114.58 115.52 2fyh h GLU 52 Ca 0.57 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.25 2fyh h GLU 52 Cb 2.82 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 31.46 2fyh h GLU 52 CO -0.01 0.93 -0.13 1.96 -1.16 0.00 0.00 179.01 180.60 2fyh h GLN 53 N -1.00 0.00 -0.48 2.33 1.08 -0.61 -3.13 115.11 113.29 2fyh h GLN 53 Ca -0.07 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.18 2fyh h GLN 53 Cb 1.00 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 28.35 2fyh h GLN 53 CO -0.05 0.13 -0.51 0.00 -0.95 0.00 0.00 178.83 177.45 2fyh h ALA 54 N 1.87 -0.68 -0.92 3.87 0.00 -0.53 0.29 119.26 123.16 2fyh h ALA 54 Ca -0.00 0.02 0.20 0.00 0.00 0.00 0.00 54.91 55.13 2fyh h ALA 54 Cb 0.24 1.14 -0.07 0.00 0.00 0.00 0.00 17.79 19.10 2fyh h ALA 54 CO 0.02 -0.95 0.60 1.05 0.00 0.00 0.00 179.25 179.96 2fyh h GLU 55 N -0.28 0.47 -0.93 0.00 4.11 -1.72 0.95 114.58 117.18 2fyh h GLU 55 Ca 0.08 -0.03 0.21 0.00 0.07 0.00 0.00 59.36 59.70 2fyh h GLU 55 Cb 0.50 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.57 2fyh h GLU 55 CO -0.60 0.31 0.61 1.49 0.07 0.00 0.00 179.01 180.89 2fyh h GLU 56 N 0.48 0.39 0.00 1.06 4.81 -0.52 -2.36 114.58 118.44 2fyh h GLU 56 Ca 0.48 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.69 2fyh h GLU 56 Cb 1.10 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.39 2fyh h GLU 56 CO -0.21 0.26 -0.01 0.82 -0.73 0.00 0.00 179.01 179.14 2fyh h ILE 57 N 0.40 0.55 -0.80 2.32 5.03 -0.63 -3.33 117.51 121.06 2fyh h ILE 57 Ca 0.49 -1.41 0.07 0.00 -0.12 0.00 0.00 64.86 63.89 2fyh h ILE 57 Cb 1.23 1.03 -0.10 0.00 -3.03 0.00 0.00 36.82 35.96 2fyh h ILE 57 CO -0.19 0.18 -0.47 0.29 -0.68 0.00 0.00 178.15 177.28 2fyh n LYS 58 N -4.73 -0.35 -0.31 2.37 5.02 -0.99 0.14 118.16 119.33 2fyh n LYS 58 Ca -0.03 1.22 0.16 0.00 -2.02 0.00 0.00 58.31 57.63 2fyh n LYS 58 Cb 0.15 -1.79 0.33 0.00 -0.02 0.00 0.00 35.03 33.70 2fyh n LYS 58 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 2fyh h LYS 59 N 0.00 0.23 -0.91 1.97 2.10 -1.61 0.62 116.57 118.98 2fyh h LYS 59 Ca 0.13 -0.01 0.05 0.00 -2.00 0.00 0.00 60.65 58.81 2fyh h LYS 59 Cb 0.33 -0.05 -0.06 0.00 -0.90 0.00 0.00 32.23 31.55 2fyh h LYS 59 CO -0.75 0.15 0.59 0.82 -2.00 0.00 0.00 179.45 178.27 2fyh h ILE 60 N 0.24 1.11 -0.13 0.07 2.04 0.12 -1.51 117.51 119.46 2fyh h ILE 60 Ca 0.60 -0.37 -0.13 0.00 1.00 0.00 0.00 64.86 65.95 2fyh h ILE 60 Cb 1.24 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2fyh h ILE 60 CO -0.64 0.20 -0.49 -0.07 0.00 0.00 0.00 178.15 177.14 2fyh h LEU 61 N 1.08 0.36 0.14 1.44 3.38 0.75 -2.81 115.31 119.65 2fyh h LEU 61 Ca 0.37 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.18 2fyh h LEU 61 Cb 0.11 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2fyh h LEU 61 CO -0.13 0.79 -0.25 -0.08 0.09 0.00 0.00 178.44 178.87 2fyh h GLU 62 N 0.27 -0.45 0.07 1.13 4.81 -0.20 0.40 114.58 120.60 2fyh h GLU 62 Ca 0.01 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2fyh h GLU 62 Cb 0.96 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.44 2fyh h GLU 62 CO 0.08 -0.30 -0.03 1.57 -0.73 0.00 0.00 179.01 179.60 2fyh h LYS 63 N -0.47 -0.09 0.26 1.92 2.10 -1.53 -2.45 116.57 116.31 2fyh h LYS 63 Ca 0.02 0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.67 2fyh h LYS 63 Cb 0.48 0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.83 2fyh h LYS 63 CO -0.13 -0.01 -0.17 0.82 -2.00 0.00 0.00 179.45 177.97 2fyh h ILE 64 N -0.14 0.00 -0.02 0.07 2.04 -1.32 0.16 117.51 118.29 2fyh h ILE 64 Ca -0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.86 2fyh h ILE 64 Cb 0.12 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.20 2fyh h ILE 64 CO 0.02 0.00 0.77 0.00 0.00 0.00 0.00 178.15 178.93 2fyh h ALA 65 N -1.63 1.79 0.05 1.87 0.00 -0.26 0.52 119.26 121.60 2fyh h ALA 65 Ca -0.03 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.62 2fyh h ALA 65 Cb 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2fyh h ALA 65 CO 0.03 -0.78 -1.38 -0.22 0.00 0.00 0.00 179.25 176.90 2fyh h LYS 66 N 0.00 0.11 0.00 0.00 3.64 -0.82 -3.34 116.57 116.16 2fyh h LYS 66 Ca 0.01 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 2fyh h LYS 66 Cb 1.55 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.44 2fyh h LYS 66 CO -0.00 1.09 0.00 0.36 -2.27 0.00 0.00 179.45 178.63 2fyh n LYS 67 N -4.13 0.07 -3.96 1.90 2.85 0.17 -4.68 118.16 110.37 2fyh n LYS 67 Ca -0.29 0.42 -0.22 0.00 -1.05 0.00 0.00 58.31 57.17 2fyh n LYS 67 Cb 0.79 -1.66 -0.04 0.00 -0.65 0.00 0.00 35.03 33.47 2fyh n LYS 67 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2fyh s TYR 68 N -3.16 2.96 0.46 5.58 2.02 -0.41 -5.08 117.35 119.72 2fyh s TYR 68 Ca 0.03 -0.23 0.05 0.00 -0.37 0.00 0.00 57.07 56.55 2fyh s TYR 68 Cb 0.06 -1.62 -0.03 0.00 -0.40 0.00 0.00 41.96 39.98 2fyh s TYR 68 CO 0.21 0.33 0.17 -1.59 -1.57 0.00 0.00 175.55 173.10 2fyh s LYS 69 N -3.92 2.20 -0.45 -0.62 0.00 -1.26 -4.92 119.74 110.77 2fyh s LYS 69 Ca 0.37 -2.04 -0.25 0.00 0.00 0.00 0.00 55.97 54.06 2fyh s LYS 69 Cb -0.06 -1.87 0.03 0.00 0.00 0.00 0.00 37.83 35.92 2fyh s LYS 69 CO 0.25 -0.28 0.91 0.15 0.00 0.00 0.00 175.35 176.39 2fyh s LYS 70 N -3.96 3.54 0.33 1.78 1.02 -1.26 -5.01 119.74 116.18 2fyh s LYS 70 Ca 0.31 0.17 0.05 0.00 0.02 0.00 0.00 55.97 56.51 2fyh s LYS 70 Cb 0.03 -3.92 -0.02 0.00 -0.52 0.00 0.00 37.83 33.40 2fyh s LYS 70 CO 0.17 -1.20 0.47 -1.58 -0.92 0.00 0.00 175.35 172.30 2fyh s HIS 71 N 3.70 3.24 -0.30 3.18 2.46 -1.26 -4.90 115.29 121.41 2fyh s HIS 71 Ca 0.36 -0.08 -0.02 0.00 0.47 0.00 0.00 55.06 55.80 2fyh s HIS 71 Cb -0.10 -1.92 0.05 0.00 -0.13 0.00 0.00 32.58 30.47 2fyh s HIS 71 CO 0.26 0.07 0.01 -2.00 -2.47 0.00 0.00 174.74 170.60 2fyh s GLU 72 N -4.18 2.46 0.40 2.88 2.12 -1.26 -2.31 118.70 118.81 2fyh s GLU 72 Ca 0.42 -1.25 0.07 0.00 0.36 0.00 0.00 54.97 54.58 2fyh s GLU 72 Cb -0.09 -3.20 -0.06 0.00 0.26 0.00 0.00 34.13 31.03 2fyh s GLU 72 CO 0.32 -0.62 0.11 0.14 -0.54 0.00 0.00 175.26 174.67 2fyh s VAL 73 N 1.27 2.27 0.29 3.70 -7.23 -0.96 -4.99 120.40 114.75 2fyh s VAL 73 Ca -0.05 -1.81 0.10 0.00 -1.81 0.00 0.00 61.98 58.41 2fyh s VAL 73 Cb -0.20 -2.97 -0.05 0.00 0.56 0.00 0.00 36.38 33.72 2fyh s VAL 73 CO -0.01 -0.03 -0.15 0.21 -0.31 0.00 0.00 175.10 174.81 2fyh s ASN 74 N -3.83 3.43 -0.27 4.85 2.47 -1.26 -1.97 114.94 118.36 2fyh s ASN 74 Ca 0.39 -1.09 0.02 0.00 0.42 0.00 0.00 52.86 52.59 2fyh s ASN 74 Cb 0.05 -0.28 0.07 0.00 -1.45 0.00 0.00 41.25 39.64 2fyh s ASN 74 CO 0.21 -0.09 -0.03 0.54 -3.72 0.00 0.00 177.10 174.01 2fyh s VAL 75 N -2.64 1.77 -0.08 -5.21 0.11 -0.05 -1.05 120.40 113.24 2fyh s VAL 75 Ca 0.30 -1.57 -0.25 0.00 -2.93 0.00 0.00 61.98 57.53 2fyh s VAL 75 Cb -0.02 -2.08 0.06 0.00 -1.53 0.00 0.00 36.38 32.81 2fyh s VAL 75 CO 0.14 -0.24 0.57 -0.60 -3.33 0.00 0.00 175.10 171.64 2fyh s ARG 76 N 1.25 0.88 0.00 1.54 3.52 -1.19 -2.69 118.95 122.26 2fyh s ARG 76 Ca -0.02 0.28 0.00 0.00 -0.13 0.00 0.00 55.73 55.86 2fyh s ARG 76 Cb -0.19 0.41 0.00 0.00 -1.56 0.00 0.00 34.95 33.61 2fyh s ARG 76 CO -0.08 -0.24 0.00 0.41 -0.81 0.00 0.00 175.30 174.58 2fyh n GLY 77 N 1.41 1.87 2.95 8.12 0.00 -1.26 -4.31 105.19 113.96 2fyh n GLY 77 Ca -0.18 -1.64 -0.13 0.00 0.00 0.00 0.00 46.02 44.07 2fyh n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2fyh s ILE 78 N -1.66 -0.01 0.39 -0.61 1.01 -1.26 -0.01 121.20 119.05 2fyh s ILE 78 Ca 0.00 0.05 0.08 0.00 0.00 0.00 0.00 60.65 60.78 2fyh s ILE 78 Cb 0.00 -0.16 -0.07 0.00 0.01 0.00 0.00 42.46 42.24 2fyh s ILE 78 CO 0.00 0.02 0.02 -0.83 0.00 0.00 0.00 174.94 174.15 2fyh s GLY 79 N 0.35 2.37 0.17 6.18 0.00 0.07 -4.90 107.32 111.55 2fyh s GLY 79 Ca -0.02 -2.19 0.01 0.00 0.00 0.00 0.00 44.72 42.51 2fyh s GLY 79 CO -0.01 -2.03 0.02 -1.34 0.00 0.00 0.00 173.10 169.73 2fyh s VAL 80 N -2.65 0.54 0.02 1.40 -7.23 -1.26 -2.61 120.40 108.61 2fyh s VAL 80 Ca 0.35 -1.96 -0.13 0.00 -1.81 0.00 0.00 61.98 58.43 2fyh s VAL 80 Cb 0.06 -2.12 0.02 0.00 0.56 0.00 0.00 36.38 34.90 2fyh s VAL 80 CO 0.19 -0.45 0.29 -0.36 -0.31 0.00 0.00 175.10 174.45 2fyh s PHE 81 N -3.75 -0.10 0.15 2.82 0.08 -1.20 -4.23 117.98 111.75 2fyh s PHE 81 Ca 0.24 0.02 0.31 0.00 0.12 0.00 0.00 56.93 57.62 2fyh s PHE 81 Cb 0.06 0.07 1.27 0.00 -0.57 0.00 0.00 43.02 43.86 2fyh s PHE 81 CO 0.04 -0.45 1.96 -1.00 -0.10 0.00 0.00 175.22 175.66 2fyh h PRO 82 N 3.47 0.00 -2.61 0.24 0.13 -1.91 0.46 132.00 131.79 2fyh h PRO 82 Ca -0.31 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.86 2fyh h PRO 82 Cb 1.19 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 2fyh h PRO 82 CO 0.44 0.08 0.34 -0.80 -0.23 0.00 0.00 178.00 177.83 2fyh s ASN 83 N -5.87 -0.48 0.07 1.44 0.01 -1.19 -5.06 114.94 103.86 2fyh s ASN 83 Ca 0.00 0.04 -0.19 0.00 -0.71 0.00 0.00 52.86 52.00 2fyh s ASN 83 Cb 0.10 0.50 -0.07 0.00 0.41 0.00 0.00 41.25 42.18 2fyh s ASN 83 CO 0.57 -0.79 1.31 -0.65 -1.51 0.00 0.00 177.10 176.04 2fyh h PRO 84 N 2.05 -0.29 -1.29 -0.60 0.11 -1.93 -0.59 132.00 129.46 2fyh h PRO 84 Ca -0.28 0.02 0.46 0.00 0.11 0.00 0.00 66.00 66.31 2fyh h PRO 84 Cb 1.27 0.07 -0.14 0.00 0.11 0.00 0.00 31.00 32.30 2fyh h PRO 84 CO 0.35 -0.19 0.81 0.09 -0.21 0.00 0.00 178.00 178.85 2fyh n ASN 85 N -4.20 0.22 -3.68 -2.05 3.02 -1.26 -2.87 115.26 104.44 2fyh n ASN 85 Ca -0.03 1.39 -0.29 0.00 -0.03 0.00 0.00 54.58 55.61 2fyh n ASN 85 Cb 0.21 -0.68 -0.13 0.00 -0.61 0.00 0.00 39.78 38.57 2fyh n ASN 85 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2fyh s TYR 86 N -5.24 1.76 0.07 3.10 6.14 -0.25 -5.08 117.35 117.85 2fyh s TYR 86 Ca -0.07 -2.21 -0.27 0.00 0.64 0.00 0.00 57.07 55.15 2fyh s TYR 86 Cb 0.31 -1.72 -0.06 0.00 0.42 0.00 0.00 41.96 40.91 2fyh s TYR 86 CO 0.79 -0.80 0.86 0.08 0.64 0.00 0.00 175.55 177.12 2fyh s VAL 87 N 0.64 4.63 0.00 3.14 1.01 -1.07 -3.17 120.40 125.58 2fyh s VAL 87 Ca 0.17 1.84 0.00 0.00 0.00 0.00 0.00 61.98 63.98 2fyh s VAL 87 Cb -0.23 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 31.94 2fyh s VAL 87 CO -0.03 0.34 0.00 0.54 0.00 0.00 0.00 175.10 175.95 2fyh n ARG 88 N 2.81 0.39 -3.76 2.72 5.12 0.16 -4.90 116.66 119.20 2fyh n ARG 88 Ca -0.00 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.69 2fyh n ARG 88 Cb 0.50 -0.78 -0.18 0.00 -1.16 0.00 0.00 32.46 30.84 2fyh n ARG 88 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2fyh s VAL 89 N -1.57 0.33 -0.11 1.55 1.01 -1.05 -1.73 120.40 118.83 2fyh s VAL 89 Ca 0.00 0.11 -0.22 0.00 0.00 0.00 0.00 61.98 61.87 2fyh s VAL 89 Cb 0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 2fyh s VAL 89 CO 0.00 0.22 0.65 -0.63 0.00 0.00 0.00 175.10 175.34 2fyh s ILE 90 N 1.99 5.06 -0.04 2.22 1.01 -0.87 -3.24 121.20 127.33 2fyh s ILE 90 Ca 0.05 1.30 -0.07 0.00 0.00 0.00 0.00 60.65 61.93 2fyh s ILE 90 Cb -0.13 -3.98 0.01 0.00 0.01 0.00 0.00 42.46 38.38 2fyh s ILE 90 CO -0.05 0.22 0.16 -1.66 0.00 0.00 0.00 174.94 173.61 2fyh s TRP 91 N 1.11 -0.11 0.52 3.97 1.48 -1.07 -1.04 118.94 123.79 2fyh s TRP 91 Ca 0.33 0.26 -0.01 0.00 -1.06 0.00 0.00 56.10 55.62 2fyh s TRP 91 Cb -0.17 0.03 0.01 0.00 -1.16 0.00 0.00 33.47 32.18 2fyh s TRP 91 CO 0.14 -0.17 0.76 0.00 -4.06 0.00 0.00 176.95 173.63 2fyh s ALA 92 N -0.45 3.68 0.08 2.67 0.00 0.49 -0.75 121.76 127.48 2fyh s ALA 92 Ca -0.05 -1.06 0.08 0.00 0.00 0.00 0.00 51.96 50.93 2fyh s ALA 92 Cb -0.04 -2.23 -0.03 0.00 0.00 0.00 0.00 23.12 20.82 2fyh s ALA 92 CO 0.01 -0.61 -0.22 0.20 0.00 0.00 0.00 175.76 175.14 2fyh s GLY 93 N -4.31 1.24 -0.06 0.00 0.00 0.98 -1.71 107.32 103.46 2fyh s GLY 93 Ca 0.52 -1.20 -0.06 0.00 0.00 0.00 0.00 44.72 43.99 2fyh s GLY 93 CO 0.40 -1.17 0.18 0.14 0.00 0.00 0.00 173.10 172.64 2fyh s VAL 94 N -1.01 5.45 0.78 1.40 1.01 -0.89 -3.20 120.40 123.94 2fyh s VAL 94 Ca 0.08 0.09 -0.13 0.00 0.00 0.00 0.00 61.98 62.01 2fyh s VAL 94 Cb -0.10 -3.48 0.19 0.00 0.00 0.00 0.00 36.38 33.00 2fyh s VAL 94 CO 0.03 0.48 0.72 -0.62 0.00 0.00 0.00 175.10 175.72 2fyh n GLU 95 N 1.50 -2.24 -0.74 2.72 1.02 -0.22 -4.68 120.64 118.00 2fyh n GLU 95 Ca -0.15 -1.15 -0.21 0.00 -0.02 0.00 0.00 57.16 55.62 2fyh n GLU 95 Cb 0.54 -1.04 -0.07 0.00 -0.02 0.00 0.00 31.44 30.84 2fyh n GLU 95 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2fyh n ASN 96 N -4.14 0.16 -2.54 1.62 6.94 -1.26 -4.71 115.26 111.32 2fyh n ASN 96 Ca 0.10 0.11 -0.23 0.00 -0.02 0.00 0.00 54.58 54.54 2fyh n ASN 96 Cb 0.38 -0.46 0.01 0.00 -2.36 0.00 0.00 39.78 37.35 2fyh n ASN 96 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 2fyh n ASP 97 N 5.13 3.90 0.19 0.53 5.68 -1.26 -4.55 116.55 126.17 2fyh n ASP 97 Ca 0.33 -3.48 -0.13 0.00 -0.50 0.00 0.00 54.79 51.01 2fyh n ASP 97 Cb 0.01 -0.48 -0.07 0.00 -1.14 0.00 0.00 41.12 39.44 2fyh n ASP 97 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2fyh h GLU 98 N 2.69 -0.66 -0.79 0.11 5.08 -2.00 -1.86 114.58 117.15 2fyh h GLU 98 Ca 0.20 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.71 2fyh h GLU 98 Cb 0.97 0.15 -0.13 0.00 0.50 0.00 0.00 28.75 30.24 2fyh h GLU 98 CO 0.76 -0.44 -0.45 0.82 -1.00 0.00 0.00 179.01 178.70 2fyh h ILE 99 N -0.69 0.04 -0.97 3.13 1.08 -1.99 0.75 117.51 118.87 2fyh h ILE 99 Ca -0.04 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 64.66 2fyh h ILE 99 Cb 0.61 0.04 -0.08 0.00 -3.07 0.00 0.00 36.82 34.33 2fyh h ILE 99 CO -0.07 0.00 0.64 0.40 -0.69 0.00 0.00 178.15 178.43 2fyh h ILE 100 N -0.11 0.61 0.54 -0.67 2.04 -1.92 0.51 117.51 118.52 2fyh h ILE 100 Ca 0.23 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.93 2fyh h ILE 100 Cb 0.54 0.18 0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2fyh h ILE 100 CO -0.83 0.07 -0.26 0.50 0.00 0.00 0.00 178.15 177.63 2fyh h LYS 101 N 0.40 -0.70 -1.00 2.37 3.64 0.13 -1.00 116.57 120.41 2fyh h LYS 101 Ca 0.52 0.05 0.18 0.00 -1.27 0.00 0.00 60.65 60.13 2fyh h LYS 101 Cb 1.33 0.16 -0.10 0.00 -0.41 0.00 0.00 32.23 33.21 2fyh h LYS 101 CO -0.22 -0.47 0.62 1.57 -2.27 0.00 0.00 179.45 178.68 2fyh h LYS 102 N -1.15 0.76 0.02 1.90 2.10 -0.59 -0.69 116.57 118.93 2fyh h LYS 102 Ca -0.07 -0.05 -0.00 0.00 -2.00 0.00 0.00 60.65 58.53 2fyh h LYS 102 Cb 0.56 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 2fyh h LYS 102 CO 0.12 0.51 -0.01 0.82 -2.00 0.00 0.00 179.45 178.89 2fyh h ILE 103 N 0.79 1.22 -0.58 0.07 2.04 -0.94 -1.72 117.51 118.38 2fyh h ILE 103 Ca 0.57 -0.74 0.09 0.00 1.00 0.00 0.00 64.86 65.78 2fyh h ILE 103 Cb 0.86 1.71 -0.07 0.00 -0.74 0.00 0.00 36.82 38.58 2fyh h ILE 103 CO -0.37 0.19 0.21 0.00 0.00 0.00 0.00 178.15 178.19 2fyh h ALA 104 N 0.62 0.74 -0.18 1.87 0.00 -0.18 0.20 119.26 122.34 2fyh h ALA 104 Ca -0.00 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2fyh h ALA 104 Cb 0.33 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2fyh h ALA 104 CO 0.00 -0.20 0.09 -0.22 0.00 0.00 0.00 179.25 178.93 2fyh h LYS 105 N 0.40 0.25 0.00 0.00 3.64 -1.13 -0.92 116.57 118.81 2fyh h LYS 105 Ca 0.29 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.61 2fyh h LYS 105 Cb 0.34 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2fyh h LYS 105 CO -0.29 0.27 -0.13 1.49 -2.27 0.00 0.00 179.45 178.52 2fyh h GLU 106 N 0.17 0.00 -0.01 1.90 4.57 -0.69 0.21 114.58 120.73 2fyh h GLU 106 Ca 0.06 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.10 2fyh h GLU 106 Cb 0.09 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.69 2fyh h GLU 106 CO -0.01 0.13 -0.56 0.82 -1.18 0.00 0.00 179.01 178.22 2fyh h ILE 107 N 0.00 1.43 0.01 2.32 2.04 -0.02 -3.23 117.51 120.07 2fyh h ILE 107 Ca -0.00 -2.04 -0.20 0.00 1.00 0.00 0.00 64.86 63.62 2fyh h ILE 107 Cb 0.36 2.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.99 2fyh h ILE 107 CO 0.02 0.59 -0.91 -0.78 0.00 0.00 0.00 178.15 177.07 2fyh h ASP 108 N -0.12 0.24 -0.73 1.72 1.82 -0.93 -3.19 116.42 115.24 2fyh h ASP 108 Ca -0.07 -0.20 0.11 0.00 -0.39 0.00 0.00 57.03 56.48 2fyh h ASP 108 Cb 1.27 -0.07 -0.08 0.00 0.68 0.00 0.00 39.33 41.12 2fyh h ASP 108 CO 0.11 1.03 0.35 -0.78 -1.61 0.00 0.00 179.24 178.34 2fyh h ASP 109 N 0.09 0.43 -0.11 2.28 3.58 -0.67 0.57 116.42 122.59 2fyh h ASP 109 Ca -0.05 0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.45 2fyh h ASP 109 Cb 1.56 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 42.61 2fyh h ASP 109 CO 0.14 0.23 -0.04 -0.33 -2.88 0.00 0.00 179.24 176.35 2fyh h GLU 110 N 0.57 0.22 -0.98 0.28 5.08 -1.60 -3.13 114.58 115.02 2fyh h GLU 110 Ca 0.37 -0.09 0.08 0.00 -1.00 0.00 0.00 59.36 58.73 2fyh h GLU 110 Cb 0.45 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.62 2fyh h GLU 110 CO -0.31 0.55 0.62 -0.07 -1.00 0.00 0.00 179.01 178.80 2fyh h LEU 111 N -0.12 0.97 -1.36 1.33 3.38 -1.40 -1.90 115.31 116.21 2fyh h LEU 111 Ca 0.03 0.02 0.46 0.00 0.09 0.00 0.00 57.88 58.48 2fyh h LEU 111 Cb 0.47 -0.18 -0.12 0.00 0.09 0.00 0.00 40.66 40.92 2fyh h LEU 111 CO 0.01 0.58 0.89 0.00 0.09 0.00 0.00 178.44 180.02 2fyh n ALA 112 N -2.36 1.34 -0.07 1.53 0.00 0.14 0.21 120.51 121.30 2fyh n ALA 112 Ca 0.16 0.79 -0.14 0.00 0.00 0.00 0.00 53.44 54.25 2fyh n ALA 112 Cb 0.24 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.63 2fyh n ALA 112 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2fyh h LYS 113 N 0.00 0.65 0.00 0.00 1.63 -1.49 -2.92 116.57 114.44 2fyh h LYS 113 Ca 0.83 -0.39 0.00 0.00 -0.85 0.00 0.00 60.65 60.24 2fyh h LYS 113 Cb 2.77 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 34.44 2fyh h LYS 113 CO -0.38 1.01 0.00 -0.07 -3.45 0.00 0.00 179.45 176.56 2fyh h LEU 114 N 0.36 0.00 0.00 5.20 3.38 0.24 -3.45 115.31 121.03 2fyh h LEU 114 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2fyh h LEU 114 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2fyh h LEU 114 CO 0.08 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.22 2fyh n GLY 115 N -0.56 0.69 3.54 0.83 0.00 -0.68 -5.13 105.19 103.88 2fyh n GLY 115 Ca -0.01 -0.47 -0.25 0.00 0.00 0.00 0.00 46.02 45.29 2fyh n GLY 115 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fyh s PHE 116 N -0.92 2.17 0.28 1.61 0.40 -1.22 -5.00 117.98 115.30 2fyh s PHE 116 Ca 0.00 -0.86 -0.17 0.00 -0.60 0.00 0.00 56.93 55.30 2fyh s PHE 116 Cb 0.00 -1.49 -0.09 0.00 0.51 0.00 0.00 43.02 41.95 2fyh s PHE 116 CO 0.00 0.18 0.73 0.21 0.70 0.00 0.00 175.22 177.04 2fyh s LYS 117 N -3.81 4.10 -0.13 0.44 2.20 -1.26 -4.55 119.74 116.74 2fyh s LYS 117 Ca 0.33 0.75 0.03 0.00 -0.36 0.00 0.00 55.97 56.72 2fyh s LYS 117 Cb 0.08 -2.61 0.00 0.00 -1.51 0.00 0.00 37.83 33.80 2fyh s LYS 117 CO 0.16 0.25 -0.21 0.21 -0.36 0.00 0.00 175.35 175.39 2fyh s LYS 118 N -2.58 3.08 -0.46 4.03 2.47 -1.26 -4.87 119.74 120.15 2fyh s LYS 118 Ca 0.50 -0.84 -0.17 0.00 -1.56 0.00 0.00 55.97 53.90 2fyh s LYS 118 Cb -0.13 -2.42 0.05 0.00 -1.46 0.00 0.00 37.83 33.87 2fyh s LYS 118 CO 0.19 0.08 0.44 -1.21 0.16 0.00 0.00 175.35 175.01 2fyh s GLU 119 N 0.61 3.04 0.00 4.03 2.02 -1.26 -5.00 118.70 122.14 2fyh s GLU 119 Ca -0.11 -1.05 0.00 0.00 0.02 0.00 0.00 54.97 53.82 2fyh s GLU 119 Cb -0.16 -4.06 0.00 0.00 0.10 0.00 0.00 34.13 30.00 2fyh s GLU 119 CO 0.03 -0.99 0.66 0.41 0.02 0.00 0.00 175.26 175.39 2fyh n GLY 120 N 5.17 -3.28 3.56 -1.39 0.00 -1.26 -4.25 105.19 103.74 2fyh n GLY 120 Ca -0.10 0.50 -0.42 0.00 0.00 0.00 0.00 46.02 46.00 2fyh n GLY 120 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2fyh s ASN 121 N -2.68 6.44 0.17 1.61 3.04 -1.26 -5.05 114.94 117.22 2fyh s ASN 121 Ca 0.00 0.11 -0.15 0.00 0.04 0.00 0.00 52.86 52.86 2fyh s ASN 121 Cb 0.00 -2.35 -0.07 0.00 -1.54 0.00 0.00 41.25 37.29 2fyh s ASN 121 CO 0.00 -0.70 0.59 0.12 -3.04 0.00 0.00 177.10 174.07 2fyh s PHE 122 N 2.91 3.59 -0.12 0.43 5.36 -1.26 -5.08 117.98 123.81 2fyh s PHE 122 Ca 0.27 1.11 -0.04 0.00 -0.96 0.00 0.00 56.93 57.31 2fyh s PHE 122 Cb -0.14 -2.41 0.06 0.00 -0.34 0.00 0.00 43.02 40.18 2fyh s PHE 122 CO 0.17 0.39 0.14 0.08 -1.46 0.00 0.00 175.22 174.53 2fyh s VAL 123 N -1.52 -0.21 -0.51 3.12 1.01 -1.26 -5.10 120.40 115.94 2fyh s VAL 123 Ca 0.40 0.16 -0.28 0.00 0.00 0.00 0.00 61.98 62.26 2fyh s VAL 123 Cb -0.15 -0.40 0.02 0.00 0.00 0.00 0.00 36.38 35.85 2fyh s VAL 123 CO 0.20 -0.01 1.35 0.00 0.00 0.00 0.00 175.10 176.64 2fyh s ALA 124 N 2.24 2.95 0.16 5.51 0.00 -1.26 -4.98 121.76 126.38 2fyh s ALA 124 Ca 0.04 -0.51 -0.02 0.00 0.00 0.00 0.00 51.96 51.47 2fyh s ALA 124 Cb -0.14 -4.02 -0.03 0.00 0.00 0.00 0.00 23.12 18.93 2fyh s ALA 124 CO -0.07 -2.65 0.12 -3.38 0.00 0.00 0.00 175.76 169.78 2fyh s HIS 125 N 5.53 0.87 -0.20 0.00 -3.43 -1.26 -2.10 115.29 114.69 2fyh s HIS 125 Ca 0.53 -1.20 -0.04 0.00 -0.80 0.00 0.00 55.06 53.55 2fyh s HIS 125 Cb -0.11 -0.42 0.07 0.00 -1.43 0.00 0.00 32.58 30.69 2fyh s HIS 125 CO 0.28 -0.60 0.09 0.42 -2.00 0.00 0.00 174.74 172.93 2fyh s ILE 126 N -4.07 0.09 -0.08 -5.38 1.09 -0.70 -4.30 121.20 107.85 2fyh s ILE 126 Ca 0.27 -0.40 -0.30 0.00 -1.10 0.00 0.00 60.65 59.13 2fyh s ILE 126 Cb 0.06 -0.78 -0.05 0.00 -1.06 0.00 0.00 42.46 40.63 2fyh s ILE 126 CO 0.05 -0.36 1.69 -0.89 -0.10 0.00 0.00 174.94 175.33 2fyh s THR 127 N 2.05 3.53 0.06 2.92 2.01 -1.26 -0.38 115.64 124.58 2fyh s THR 127 Ca 0.03 0.64 0.07 0.00 0.31 0.00 0.00 61.69 62.74 2fyh s THR 127 Cb -0.16 -3.44 -0.22 0.00 0.01 0.00 0.00 72.50 68.68 2fyh s THR 127 CO -0.14 -0.09 1.06 -0.07 -0.69 0.00 0.00 174.62 174.69 2fyh h LEU 128 N 10.65 0.05 0.00 4.42 3.38 -1.45 -3.46 115.31 128.90 2fyh h LEU 128 Ca -0.39 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2fyh h LEU 128 Cb 1.18 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2fyh h LEU 128 CO 0.96 1.05 0.00 0.61 0.09 0.00 0.00 178.44 181.15 2fyh n GLY 129 N 1.44 2.35 3.94 0.83 0.00 -1.21 -2.50 105.19 110.04 2fyh n GLY 129 Ca -0.07 -0.84 -0.26 0.00 0.00 0.00 0.00 46.02 44.85 2fyh n GLY 129 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fyh s ARG 130 N -2.00 3.49 -0.24 1.61 0.52 -1.24 -2.05 118.95 119.04 2fyh s ARG 130 Ca 0.00 -0.44 -0.10 0.00 -0.52 0.00 0.00 55.73 54.67 2fyh s ARG 130 Cb 0.00 -2.86 -0.05 0.00 0.52 0.00 0.00 34.95 32.56 2fyh s ARG 130 CO 0.00 0.42 0.14 0.08 0.02 0.00 0.00 175.30 175.95 2fyh s VAL 131 N -1.87 5.10 -0.11 3.52 1.01 -0.71 -2.08 120.40 125.26 2fyh s VAL 131 Ca 0.37 0.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.40 2fyh s VAL 131 Cb -0.11 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 2fyh s VAL 131 CO 0.29 0.35 -0.07 0.50 0.00 0.00 0.00 175.10 176.17 2fyh h LYS 132 N 7.63 0.00 -1.80 2.72 1.63 -1.23 -3.48 116.57 122.04 2fyh h LYS 132 Ca -0.37 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.48 2fyh h LYS 132 Cb 1.17 0.00 -0.24 0.00 -0.60 0.00 0.00 32.23 32.57 2fyh h LYS 132 CO 0.63 0.00 0.20 -0.59 -3.45 0.00 0.00 179.45 176.24 2fyh s PHE 133 N -1.83 -0.81 0.12 1.91 -0.12 -1.26 -5.03 117.98 110.98 2fyh s PHE 133 Ca -0.06 1.68 0.07 0.00 -0.05 0.00 0.00 56.93 58.57 2fyh s PHE 133 Cb 0.01 0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 42.83 2fyh s PHE 133 CO 0.09 -0.40 -0.17 0.54 -0.05 0.00 0.00 175.22 175.23 2fyh s VAL 134 N 1.27 1.55 -0.16 -2.49 0.11 -1.26 -2.37 120.40 117.03 2fyh s VAL 134 Ca -0.07 -1.69 -0.01 0.00 -2.93 0.00 0.00 61.98 57.28 2fyh s VAL 134 Cb -0.05 -1.58 -0.10 0.00 -1.53 0.00 0.00 36.38 33.13 2fyh s VAL 134 CO -0.15 -0.28 -0.16 1.17 -3.33 0.00 0.00 175.10 172.36 2fyh n LYS 135 N 0.68 0.40 -2.76 1.54 4.81 -1.23 -4.86 118.16 116.74 2fyh n LYS 135 Ca -0.16 0.11 -0.42 0.00 -0.87 0.00 0.00 58.31 56.96 2fyh n LYS 135 Cb 0.56 -1.28 -0.03 0.00 0.02 0.00 0.00 35.03 34.29 2fyh n LYS 135 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2fyh s ASP 136 N -5.77 6.32 0.01 3.14 2.15 -1.26 -4.91 116.67 116.34 2fyh s ASP 136 Ca -0.22 -1.16 -0.08 0.00 0.43 0.00 0.00 52.55 51.52 2fyh s ASP 136 Cb 0.06 -2.47 -0.04 0.00 -0.30 0.00 0.00 42.92 40.17 2fyh s ASP 136 CO 0.36 -1.46 0.88 0.11 -0.17 0.00 0.00 175.17 174.89 2fyh h LYS 137 N 9.56 -0.27 -0.75 4.34 1.57 -1.99 -3.17 116.57 125.86 2fyh h LYS 137 Ca -0.12 0.02 0.23 0.00 -1.87 0.00 0.00 60.65 58.91 2fyh h LYS 137 Cb 1.05 0.06 -0.14 0.00 0.08 0.00 0.00 32.23 33.28 2fyh h LYS 137 CO 1.23 -0.18 0.10 1.28 -0.57 0.00 0.00 179.45 181.31 2fyh n LEU 138 N -2.91 -0.01 -0.23 2.94 4.77 -1.26 0.14 117.00 120.43 2fyh n LEU 138 Ca -0.03 1.26 0.04 0.00 -0.03 0.00 0.00 56.01 57.24 2fyh n LEU 138 Cb 0.11 -0.49 0.15 0.00 -2.33 0.00 0.00 43.42 40.85 2fyh n LEU 138 CO 0.08 -1.31 0.87 1.23 -1.33 0.00 0.00 177.39 176.94 2fyh h GLY 139 N 0.00 0.85 -0.05 -0.72 0.00 -1.96 0.32 103.07 101.51 2fyh h GLY 139 Ca 0.49 0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.89 2fyh h GLY 139 CO -0.67 -0.22 -0.52 1.41 0.00 0.00 0.00 176.54 176.53 2fyh h LEU 140 N 0.17 -1.64 0.70 3.11 3.38 0.11 0.94 115.31 122.08 2fyh h LEU 140 Ca 0.38 0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.50 2fyh h LEU 140 Cb 0.65 0.63 0.01 0.00 0.09 0.00 0.00 40.66 42.03 2fyh h LEU 140 CO -0.55 -0.50 -0.33 0.00 0.09 0.00 0.00 178.44 177.15 2fyh h ALA 141 N -0.42 -1.01 -1.74 1.53 0.00 -1.44 -0.66 119.26 115.52 2fyh h ALA 141 Ca 0.02 -0.20 0.53 0.00 0.00 0.00 0.00 54.91 55.26 2fyh h ALA 141 Cb 0.69 0.36 -0.10 0.00 0.00 0.00 0.00 17.79 18.74 2fyh h ALA 141 CO -0.38 -0.94 1.21 0.52 0.00 0.00 0.00 179.25 179.66 2fyh h MET 142 N -1.15 0.01 0.00 0.00 2.86 -0.34 0.34 114.93 116.65 2fyh h MET 142 Ca -0.10 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 2fyh h MET 142 Cb 0.72 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.37 2fyh h MET 142 CO 0.16 0.00 -0.17 -0.22 1.06 0.00 0.00 176.91 177.74 2fyh h LYS 143 N 0.01 0.00 -0.97 1.72 3.64 -0.62 -3.36 116.57 116.99 2fyh h LYS 143 Ca 0.91 0.00 0.22 0.00 -1.27 0.00 0.00 60.65 60.51 2fyh h LYS 143 Cb 3.39 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 35.03 2fyh h LYS 143 CO -0.18 0.80 -0.14 -0.07 -2.27 0.00 0.00 179.45 177.59 2fyh h LEU 144 N -1.00 -0.73 -0.82 5.20 3.38 0.13 0.73 115.31 122.18 2fyh h LEU 144 Ca -0.04 0.28 0.18 0.00 0.09 0.00 0.00 57.88 58.39 2fyh h LEU 144 Cb 0.85 0.55 -0.11 0.00 0.09 0.00 0.00 40.66 42.04 2fyh h LEU 144 CO -0.03 -0.33 0.32 0.50 0.09 0.00 0.00 178.44 179.00 2fyh h LYS 145 N 0.01 0.39 -0.72 1.13 1.63 -1.54 0.21 116.57 117.68 2fyh h LYS 145 Ca 0.51 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 60.25 2fyh h LYS 145 Cb 0.89 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 32.40 2fyh h LYS 145 CO -0.96 0.26 0.30 0.93 -3.45 0.00 0.00 179.45 176.53 2fyh h GLU 146 N 0.40 1.06 -0.99 1.90 4.39 0.32 -2.43 114.58 119.23 2fyh h GLU 146 Ca 0.48 -0.18 -0.58 0.00 0.34 0.00 0.00 59.36 59.43 2fyh h GLU 146 Cb 0.84 -0.18 -0.30 0.00 -0.10 0.00 0.00 28.75 29.01 2fyh h GLU 146 CO -0.48 0.85 0.72 1.28 -1.16 0.00 0.00 179.01 180.23 2fyh n LEU 147 N -4.30 7.07 -0.08 1.33 4.32 0.53 -3.95 117.00 121.92 2fyh n LEU 147 Ca 0.06 -3.88 -0.19 0.00 -0.02 0.00 0.00 56.01 51.99 2fyh n LEU 147 Cb 0.17 -0.89 -0.13 0.00 -1.62 0.00 0.00 43.42 40.96 2fyh n LEU 147 CO 0.40 1.22 -1.16 0.00 -1.22 0.00 0.00 177.39 176.63 2fyh n ALA 148 N -1.06 1.25 -0.04 -1.18 0.00 -0.08 -4.17 120.51 115.23 2fyh n ALA 148 Ca 0.61 -0.93 -0.02 0.00 0.00 0.00 0.00 53.44 53.10 2fyh n ALA 148 Cb 1.28 -0.30 -0.08 0.00 0.00 0.00 0.00 19.45 20.35 2fyh n ALA 148 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2fyh n ASN 149 N -3.33 2.50 -3.12 0.00 3.02 -1.26 -4.16 115.26 108.91 2fyh n ASN 149 Ca -0.41 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 53.70 2fyh n ASN 149 Cb 1.01 1.00 -0.09 0.00 -0.61 0.00 0.00 39.78 41.09 2fyh n ASN 149 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2fyh n GLU 150 N -2.21 0.00 -2.21 3.52 4.07 -1.25 -4.69 120.64 117.86 2fyh n GLU 150 Ca -0.12 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.65 2fyh n GLU 150 Cb 0.65 -1.10 -0.00 0.00 -0.06 0.00 0.00 31.44 30.93 2fyh n GLU 150 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 2fyh s ASP 151 N 4.36 5.89 -0.04 4.31 -1.08 -1.26 -4.43 116.67 124.41 2fyh s ASP 151 Ca 0.88 1.93 0.04 0.00 -0.52 0.00 0.00 52.55 54.88 2fyh s ASP 151 Cb -1.10 -2.55 -0.06 0.00 -1.46 0.00 0.00 42.92 37.75 2fyh s ASP 151 CO 0.49 -1.10 0.02 0.49 0.52 0.00 0.00 175.17 175.59 2fyh n PHE 152 N -1.61 0.00 0.00 -5.34 3.72 -1.10 -4.99 117.46 108.14 2fyh n PHE 152 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 2fyh n PHE 152 Cb 0.52 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 2fyh n PHE 152 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2fyh n GLY 153 N 2.72 0.77 3.36 1.37 0.00 -1.23 -4.58 105.19 107.61 2fyh n GLY 153 Ca -0.07 -2.04 -0.10 0.00 0.00 0.00 0.00 46.02 43.81 2fyh n GLY 153 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2fyh s SER 154 N -4.00 0.04 0.13 1.61 1.04 -1.26 -0.88 113.70 110.39 2fyh s SER 154 Ca 0.00 -0.98 -0.25 0.00 0.48 0.00 0.00 55.95 55.19 2fyh s SER 154 Cb 0.00 0.45 0.07 0.00 0.10 0.00 0.00 66.02 66.64 2fyh s SER 154 CO 0.00 -0.93 0.84 0.72 0.98 0.00 0.00 173.24 174.86 2fyh s PHE 155 N -4.01 -0.27 -0.16 5.02 -0.12 -0.83 -4.89 117.98 112.72 2fyh s PHE 155 Ca 0.22 -0.00 -0.02 0.00 -0.05 0.00 0.00 56.93 57.08 2fyh s PHE 155 Cb 0.03 0.61 -0.02 0.00 -0.63 0.00 0.00 43.02 43.01 2fyh s PHE 155 CO 0.04 -0.82 -0.08 0.42 -0.05 0.00 0.00 175.22 174.74 2fyh s ILE 156 N -3.41 3.45 -0.52 -4.49 1.01 -1.26 -2.26 121.20 113.72 2fyh s ILE 156 Ca 0.08 -0.51 -0.27 0.00 0.00 0.00 0.00 60.65 59.95 2fyh s ILE 156 Cb -0.02 -2.50 -0.01 0.00 0.01 0.00 0.00 42.46 39.94 2fyh s ILE 156 CO -0.03 0.49 1.71 -0.69 0.00 0.00 0.00 174.94 176.43 2fyh s VAL 157 N 0.60 3.52 0.00 2.92 1.01 -0.98 -4.83 120.40 122.63 2fyh s VAL 157 Ca -0.05 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.35 2fyh s VAL 157 Cb -0.15 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.23 2fyh s VAL 157 CO 0.03 -0.85 0.00 -0.62 0.00 0.00 0.00 175.10 173.66 2fyh n GLU 158 N 8.82 0.00 -3.13 2.72 1.02 -1.26 -4.22 120.64 124.59 2fyh n GLU 158 Ca 0.19 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.14 2fyh n GLU 158 Cb 0.50 -0.39 0.01 0.00 -0.02 0.00 0.00 31.44 31.54 2fyh n GLU 158 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2fyh s ALA 159 N -3.42 4.47 0.06 0.62 0.00 -1.26 -4.84 121.76 117.39 2fyh s ALA 159 Ca 0.00 -1.77 0.09 0.00 0.00 0.00 0.00 51.96 50.28 2fyh s ALA 159 Cb 0.00 -1.47 -0.03 0.00 0.00 0.00 0.00 23.12 21.62 2fyh s ALA 159 CO 0.00 -0.36 -0.25 0.42 0.00 0.00 0.00 175.76 175.57 2fyh s ILE 160 N -2.43 2.02 -0.12 0.00 1.01 -0.80 -4.61 121.20 116.27 2fyh s ILE 160 Ca 0.54 -1.40 0.03 0.00 0.00 0.00 0.00 60.65 59.83 2fyh s ILE 160 Cb -0.08 -1.75 0.01 0.00 0.01 0.00 0.00 42.46 40.65 2fyh s ILE 160 CO 0.33 0.28 -0.23 -0.70 0.00 0.00 0.00 174.94 174.62 2fyh s GLU 161 N -1.35 3.02 -0.35 2.79 2.12 -0.95 -1.64 118.70 122.35 2fyh s GLU 161 Ca 0.11 -0.86 -0.02 0.00 0.36 0.00 0.00 54.97 54.56 2fyh s GLU 161 Cb -0.10 -2.37 0.08 0.00 0.26 0.00 0.00 34.13 31.99 2fyh s GLU 161 CO 0.03 0.06 0.09 -1.17 -0.54 0.00 0.00 175.26 173.73 2fyh s LEU 162 N 0.63 4.50 0.28 2.70 2.96 -0.20 -0.06 118.68 129.48 2fyh s LEU 162 Ca -0.12 -1.61 0.09 0.00 -0.22 0.00 0.00 54.13 52.27 2fyh s LEU 162 Cb -0.16 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 2fyh s LEU 162 CO 0.02 -0.38 0.06 -0.54 -1.32 0.00 0.00 176.35 174.20 2fyh s LYS 163 N 1.20 2.41 0.08 1.98 1.02 0.27 -1.37 119.74 125.32 2fyh s LYS 163 Ca 0.01 -1.40 0.04 0.00 0.02 0.00 0.00 55.97 54.64 2fyh s LYS 163 Cb -0.21 -2.22 -0.03 0.00 -0.52 0.00 0.00 37.83 34.85 2fyh s LYS 163 CO -0.02 0.31 -0.11 0.21 -0.92 0.00 0.00 175.35 174.81 2fyh s LYS 164 N -3.74 0.76 0.00 1.68 2.36 0.73 0.41 119.74 121.94 2fyh s LYS 164 Ca 0.33 -1.00 0.06 0.00 -2.55 0.00 0.00 55.97 52.82 2fyh s LYS 164 Cb -0.06 -0.55 -0.03 0.00 -1.05 0.00 0.00 37.83 36.14 2fyh s LYS 164 CO 0.21 0.10 -0.19 -1.12 1.55 0.00 0.00 175.35 175.90 2fyh s SER 165 N -2.02 3.66 -0.31 1.43 0.01 -0.85 -1.79 113.70 113.83 2fyh s SER 165 Ca -0.01 -0.38 -0.02 0.00 1.31 0.00 0.00 55.95 56.85 2fyh s SER 165 Cb -0.07 -0.60 0.10 0.00 0.21 0.00 0.00 66.02 65.67 2fyh s SER 165 CO 0.01 0.29 0.12 -0.89 0.41 0.00 0.00 173.24 173.19 2fyh s THR 166 N -0.80 0.56 0.16 1.44 2.01 0.23 -2.14 115.64 117.11 2fyh s THR 166 Ca 0.13 -1.28 -0.31 0.00 0.31 0.00 0.00 61.69 60.53 2fyh s THR 166 Cb -0.10 -1.43 -0.09 0.00 0.01 0.00 0.00 72.50 70.88 2fyh s THR 166 CO 0.02 -0.73 1.48 -0.76 -0.69 0.00 0.00 174.62 173.94 2fyh s LEU 167 N 1.67 4.37 0.05 4.42 1.43 -1.26 -1.11 118.68 128.25 2fyh s LEU 167 Ca 0.10 2.52 0.00 0.00 -1.03 0.00 0.00 54.13 55.73 2fyh s LEU 167 Cb -0.18 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.41 2fyh s LEU 167 CO -0.26 -0.73 -0.05 0.42 0.23 0.00 0.00 176.35 175.96 2fyh s THR 168 N 0.89 0.35 0.46 5.49 -4.23 -0.76 -4.93 115.64 112.91 2fyh s THR 168 Ca 0.66 -1.47 0.27 0.00 -1.18 0.00 0.00 61.69 59.96 2fyh s THR 168 Cb -0.41 -1.06 0.47 0.00 1.34 0.00 0.00 72.50 72.83 2fyh s THR 168 CO 0.33 -0.73 1.77 -0.65 -0.54 0.00 0.00 174.62 174.80 2fyh h PRO 169 N 3.74 0.20 0.00 3.99 0.11 -2.03 0.86 132.00 138.88 2fyh h PRO 169 Ca -0.34 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.69 2fyh h PRO 169 Cb 1.17 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2fyh h PRO 169 CO 0.55 0.13 -0.30 0.87 -0.21 0.00 0.00 178.00 179.04 2fyh h LYS 170 N 0.21 0.00 0.00 1.05 6.56 -2.00 -3.49 116.57 118.90 2fyh h LYS 170 Ca 0.60 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.19 2fyh h LYS 170 Cb 1.90 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.56 2fyh h LYS 170 CO -0.19 0.30 0.00 0.41 -2.06 0.00 0.00 179.45 177.91 2fyh n GLY 171 N 1.17 2.33 3.72 3.86 0.00 0.30 -5.10 105.19 111.46 2fyh n GLY 171 Ca 0.03 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 2fyh n GLY 171 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2fyh s PRO 172 N -1.87 4.34 -0.05 1.61 0.04 -1.26 -1.84 135.00 135.97 2fyh s PRO 172 Ca 0.00 2.03 -0.02 0.00 0.04 0.00 0.00 61.00 63.06 2fyh s PRO 172 Cb 0.00 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 2fyh s PRO 172 CO 0.00 -0.39 0.05 0.42 0.04 0.00 0.00 177.00 177.12 2fyh s ILE 173 N 0.99 4.63 -0.12 0.56 -1.09 -0.27 -4.94 121.20 120.96 2fyh s ILE 173 Ca 0.63 -0.27 0.00 0.00 -2.23 0.00 0.00 60.65 58.78 2fyh s ILE 173 Cb -0.36 -3.03 0.02 0.00 -1.58 0.00 0.00 42.46 37.51 2fyh s ILE 173 CO 0.31 0.49 -0.11 -0.31 -1.23 0.00 0.00 174.94 174.10 2fyh s TYR 174 N -1.04 1.74 0.02 3.97 1.51 -1.26 -0.60 117.35 121.69 2fyh s TYR 174 Ca 0.18 -0.90 -0.05 0.00 -1.01 0.00 0.00 57.07 55.28 2fyh s TYR 174 Cb -0.12 -1.36 -0.01 0.00 -0.11 0.00 0.00 41.96 40.37 2fyh s TYR 174 CO 0.07 -0.55 0.09 -2.00 -1.11 0.00 0.00 175.55 172.06 2fyh s GLU 175 N 1.52 0.49 0.28 -0.62 2.12 -0.74 -5.01 118.70 116.74 2fyh s GLU 175 Ca 0.03 -0.57 -0.16 0.00 0.36 0.00 0.00 54.97 54.63 2fyh s GLU 175 Cb -0.13 0.19 -0.09 0.00 0.26 0.00 0.00 34.13 34.37 2fyh s GLU 175 CO -0.08 -0.11 0.72 0.99 -0.54 0.00 0.00 175.26 176.23 2fyh s THR 176 N -1.83 4.67 -0.05 -1.70 2.01 -1.26 -0.19 115.64 117.27 2fyh s THR 176 Ca -0.12 1.01 -0.01 0.00 0.31 0.00 0.00 61.69 62.88 2fyh s THR 176 Cb -0.06 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 2fyh s THR 176 CO -0.01 -0.05 -0.06 0.18 -0.69 0.00 0.00 174.62 173.99 2fyh n LEU 177 N -0.00 1.44 -3.83 4.42 4.77 -0.47 -4.87 117.00 118.45 2fyh n LEU 177 Ca 0.01 0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.90 2fyh n LEU 177 Cb 0.52 -0.17 -0.14 0.00 -2.33 0.00 0.00 43.42 41.31 2fyh n LEU 177 CO 0.42 0.30 -0.30 0.00 -1.33 0.00 0.00 177.39 176.48 2fyh s ALA 178 N -2.10 -0.12 -0.22 -1.18 0.00 -1.04 -5.06 121.76 112.04 2fyh s ALA 178 Ca -0.07 0.21 -0.01 0.00 0.00 0.00 0.00 51.96 52.09 2fyh s ALA 178 Cb 0.02 -0.14 0.06 0.00 0.00 0.00 0.00 23.12 23.07 2fyh s ALA 178 CO 0.11 -0.05 -0.01 1.03 0.00 0.00 0.00 175.76 176.84 2fyh s ARG 179 N 0.25 1.19 -0.68 0.00 3.00 -1.26 -1.04 118.95 120.42 2fyh s ARG 179 Ca -0.02 -0.76 -0.19 0.00 0.00 0.00 0.00 55.73 54.76 2fyh s ARG 179 Cb -0.03 -2.38 0.11 0.00 0.00 0.00 0.00 34.95 32.65 2fyh s ARG 179 CO -0.01 -0.63 0.82 -0.06 0.00 0.00 0.00 175.30 175.43 2fyh s PHE 180 N 1.59 3.03 -0.20 -0.53 0.40 -0.65 -5.03 117.98 116.59 2fyh s PHE 180 Ca -0.03 -1.05 -0.09 0.00 -0.60 0.00 0.00 56.93 55.15 2fyh s PHE 180 Cb -0.18 -4.09 -0.05 0.00 0.51 0.00 0.00 43.02 39.21 2fyh s PHE 180 CO -0.07 -1.36 0.12 -2.00 0.70 0.00 0.00 175.22 172.60 2fyh s GLU 181 N 2.70 4.11 -0.02 0.44 2.56 -1.26 -1.91 118.70 125.31 2fyh s GLU 181 Ca 0.17 -0.26 -0.18 0.00 0.00 0.00 0.00 54.97 54.70 2fyh s GLU 181 Cb -0.19 -3.38 -0.10 0.00 2.00 0.00 0.00 34.13 32.46 2fyh s GLU 181 CO 0.03 0.25 0.76 -0.07 -0.56 0.00 0.00 175.26 175.67 2fyh h LEU 182 N 6.83 -0.54 -8.76 2.70 3.38 -1.96 -3.49 115.31 113.47 2fyh h LEU 182 Ca -0.39 0.02 -0.39 0.00 0.09 0.00 0.00 57.88 57.20 2fyh h LEU 182 Cb 1.16 0.14 -0.12 0.00 0.09 0.00 0.00 40.66 41.93 2fyh h LEU 182 CO 0.73 -0.15 -0.40 -0.55 0.09 0.00 0.00 178.44 178.15 2fyh s SER 183 N -4.67 1.32 0.63 -0.43 0.15 -1.26 -5.14 113.70 104.30 2fyh s SER 183 Ca -0.09 -1.64 -0.18 0.00 0.70 0.00 0.00 55.95 54.73 2fyh s SER 183 Cb 0.01 0.58 -0.02 0.00 -1.71 0.00 0.00 66.02 64.88 2fyh s SER 183 CO 0.28 -1.12 1.29 -1.61 1.20 0.00 0.00 173.24 173.27 2fyh s GLU 184 N -3.38 2.66 -0.24 5.44 2.02 -1.26 -5.03 118.70 118.92 2fyh s GLU 184 Ca 0.37 2.04 -0.03 0.00 0.02 0.00 0.00 54.97 57.38 2fyh s GLU 184 Cb 0.02 -1.89 0.12 0.00 0.10 0.00 0.00 34.13 32.48 2fyh s GLU 184 CO 0.24 -1.50 0.30 -1.58 0.02 0.00 0.00 175.26 172.73 2fyh s HIS 185 N -1.42 -0.53 -0.98 1.61 2.46 -1.26 -5.07 115.29 110.10 2fyh s HIS 185 Ca 0.81 0.37 -0.25 0.00 0.47 0.00 0.00 55.06 56.45 2fyh s HIS 185 Cb -0.37 -0.24 -0.14 0.00 -0.13 0.00 0.00 32.58 31.70 2fyh s HIS 185 CO 0.39 -0.72 2.14 -3.38 -2.47 0.00 0.00 174.74 170.71 2fyh s HIS 186 N 2.42 1.43 -0.25 3.88 -3.43 -1.26 -4.90 115.29 113.18 2fyh s HIS 186 Ca 0.10 1.58 -0.13 0.00 -0.80 0.00 0.00 55.06 55.81 2fyh s HIS 186 Cb -0.15 -3.61 -0.04 0.00 -1.43 0.00 0.00 32.58 27.35 2fyh s HIS 186 CO -0.18 -1.24 0.28 -3.38 -2.00 0.00 0.00 174.74 168.23 2fyh s HIS 187 N 14.03 3.28 0.01 0.38 -3.43 -1.26 -5.07 115.29 123.24 2fyh s HIS 187 Ca 0.80 0.34 -0.03 0.00 -0.80 0.00 0.00 55.06 55.37 2fyh s HIS 187 Cb -0.07 -2.44 -0.01 0.00 -1.43 0.00 0.00 32.58 28.63 2fyh s HIS 187 CO 0.11 -0.09 0.04 -3.38 -2.00 0.00 0.00 174.74 169.42 2fyh s HIS 188 N 1.57 0.15 -0.26 0.38 -3.43 -1.26 -5.15 115.29 107.29 2fyh s HIS 188 Ca 0.12 -0.32 -0.05 0.00 -0.80 0.00 0.00 55.06 54.01 2fyh s HIS 188 Cb -0.15 -0.12 0.14 0.00 -1.43 0.00 0.00 32.58 31.02 2fyh s HIS 188 CO 0.08 -0.21 0.52 -3.38 -2.00 0.00 0.00 174.74 169.75 2fyh s HIS 189 N -1.31 -1.19 -2.00 0.38 -3.43 -1.26 -5.21 115.29 101.28 2fyh s HIS 189 Ca -0.14 1.63 0.00 0.00 -0.80 0.00 0.00 55.06 55.75 2fyh s HIS 189 Cb -0.08 0.45 0.01 0.00 -1.43 0.00 0.00 32.58 31.52 2fyh s HIS 189 CO 0.00 -0.70 0.51 0.72 -2.00 0.00 0.00 174.74 173.27