#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fxh s GLY 0 N 0.00 2.38 -0.19 1.08 0.00 -1.26 -5.13 107.32 104.20 3fxh s GLY 0 Ca 0.00 -3.07 -0.01 0.00 0.00 0.00 0.00 44.72 41.64 3fxh s GLY 0 CO 0.00 1.11 -0.01 0.21 0.00 0.00 0.00 173.10 174.41 3fxh s ASN 2 N 1.25 3.00 0.33 1.64 3.84 -1.26 -5.02 114.94 118.73 3fxh s ASN 2 Ca 0.14 -0.81 0.01 0.00 0.21 0.00 0.00 52.86 52.41 3fxh s ASN 2 Cb -0.20 -0.78 0.58 0.00 -0.55 0.00 0.00 41.25 40.29 3fxh s ASN 2 CO -0.04 -0.26 1.98 0.78 -2.79 0.00 0.00 177.10 176.78 3fxh h ASN 3 N 8.16 0.77 -0.26 -4.21 4.21 -1.98 0.53 115.58 122.79 3fxh h ASN 3 Ca -0.19 -0.03 -0.05 0.00 1.21 0.00 0.00 56.30 57.24 3fxh h ASN 3 Cb 1.11 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 38.11 3fxh h ASN 3 CO 0.36 0.58 -0.02 0.50 -1.29 0.00 0.00 177.43 177.56 3fxh h LYS 4 N 0.89 0.47 -0.01 0.81 3.64 -1.99 0.12 116.57 120.51 3fxh h LYS 4 Ca 0.24 -0.16 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 3fxh h LYS 4 Cb -0.06 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 3fxh h LYS 4 CO -0.05 0.66 -0.13 1.25 -2.27 0.00 0.00 179.45 178.91 3fxh h HIS 5 N 0.24 -0.34 -0.80 1.91 2.76 -1.82 -2.11 115.15 114.98 3fxh h HIS 5 Ca 0.07 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 3fxh h HIS 5 Cb 0.46 0.15 -0.04 0.00 1.55 0.00 0.00 27.41 29.54 3fxh h HIS 5 CO 0.04 -0.20 0.47 0.00 -1.30 0.00 0.00 177.93 176.94 3fxh h ALA 6 N 0.75 1.03 -0.16 5.26 0.00 0.23 -0.22 119.26 126.15 3fxh h ALA 6 Ca 0.05 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3fxh h ALA 6 Cb 0.28 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3fxh h ALA 6 CO -0.14 0.51 0.05 1.15 0.00 0.00 0.00 179.25 180.82 3fxh h THR 7 N 1.11 0.96 -0.50 0.00 2.02 -0.66 -1.19 112.91 114.64 3fxh h THR 7 Ca 0.29 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.39 3fxh h THR 7 Cb -0.01 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 3fxh h THR 7 CO -0.05 0.02 0.18 0.28 0.37 0.00 0.00 175.52 176.33 3fxh h SER 8 N 0.13 0.65 -0.65 4.18 0.02 -1.01 -0.37 113.55 116.50 3fxh h SER 8 Ca 0.07 -0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 60.88 3fxh h SER 8 Cb 0.05 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 3fxh h SER 8 CO -0.08 0.60 0.16 0.00 -1.14 0.00 0.00 176.83 176.38 3fxh h ALA 9 N 1.49 0.86 -0.21 3.77 0.00 -0.69 -0.79 119.26 123.70 3fxh h ALA 9 Ca 0.17 -0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 3fxh h ALA 9 Cb 0.16 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3fxh h ALA 9 CO -0.01 0.57 -0.59 0.28 0.00 0.00 0.00 179.25 179.49 3fxh h VAL 10 N 0.96 1.31 -0.75 0.00 2.07 -0.77 -0.34 116.25 118.73 3fxh h VAL 10 Ca 0.20 -1.82 -0.01 0.00 0.82 0.00 0.00 66.70 65.89 3fxh h VAL 10 Cb 0.36 1.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 3fxh h VAL 10 CO 0.00 0.58 0.43 0.45 0.02 0.00 0.00 177.57 179.05 3fxh h HIS 11 N 0.51 1.00 -0.63 1.57 -0.00 -0.97 -1.79 115.15 114.84 3fxh h HIS 11 Ca 0.00 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.31 3fxh h HIS 11 Cb 1.17 -0.33 -0.03 0.00 -0.00 0.00 0.00 27.41 28.23 3fxh h HIS 11 CO 0.06 0.68 0.18 1.49 -0.00 0.00 0.00 177.93 180.34 3fxh h GLU 12 N 1.04 0.98 -0.14 2.45 4.81 -0.65 -1.45 114.58 121.62 3fxh h GLU 12 Ca 0.27 -0.22 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3fxh h GLU 12 Cb -0.01 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 3fxh h GLU 12 CO -0.05 0.88 0.06 0.82 -0.73 0.00 0.00 179.01 179.99 3fxh h ILE 13 N 0.91 0.99 -0.36 2.32 2.04 -0.58 -1.16 117.51 121.67 3fxh h ILE 13 Ca 0.20 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 66.06 3fxh h ILE 13 Cb 0.31 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 3fxh h ILE 13 CO -0.00 0.03 0.11 0.40 0.00 0.00 0.00 178.15 178.68 3fxh h ILE 14 N 0.14 0.87 -0.29 -0.67 2.04 -1.16 -0.37 117.51 118.08 3fxh h ILE 14 Ca 0.06 -0.08 0.05 0.00 1.00 0.00 0.00 64.86 65.88 3fxh h ILE 14 Cb 0.01 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.65 3fxh h ILE 14 CO -0.04 0.05 -0.02 -0.09 0.00 0.00 0.00 178.15 178.05 3fxh h ARG 15 N 0.25 0.07 -0.06 2.37 2.43 -1.06 -0.34 114.38 118.04 3fxh h ARG 15 Ca 0.16 -0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.20 3fxh h ARG 15 Cb 0.16 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3fxh h ARG 15 CO -0.18 0.04 -0.57 0.93 -1.51 0.00 0.00 179.97 178.68 3fxh h GLU 16 N 0.07 0.18 -0.41 0.20 4.39 -0.82 -1.66 114.58 116.53 3fxh h GLU 16 Ca 0.14 -0.12 -0.11 0.00 0.34 0.00 0.00 59.36 59.61 3fxh h GLU 16 Cb 0.19 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 3fxh h GLU 16 CO -0.25 0.71 -0.18 0.82 -1.16 0.00 0.00 179.01 178.94 3fxh h ILE 17 N 0.14 1.28 -0.64 3.13 2.04 -0.87 -1.10 117.51 121.49 3fxh h ILE 17 Ca -0.00 -1.32 0.08 0.00 1.00 0.00 0.00 64.86 64.62 3fxh h ILE 17 Cb 1.05 1.26 -0.06 0.00 -0.74 0.00 0.00 36.82 38.32 3fxh h ILE 17 CO 0.09 0.44 0.30 0.00 0.00 0.00 0.00 178.15 178.98 3fxh h ARG 19 N 0.54 0.67 -0.57 0.00 3.08 -0.97 0.11 114.38 117.25 3fxh h ARG 19 Ca 0.31 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.34 3fxh h ARG 19 Cb 0.30 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 3fxh h ARG 19 CO -0.25 0.45 0.34 -0.07 -1.07 0.00 0.00 179.97 179.37 3fxh h LEU 20 N 0.69 0.56 -0.82 3.04 3.38 -0.11 -2.23 115.31 119.82 3fxh h LEU 20 Ca 0.26 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 3fxh h LEU 20 Cb 0.10 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3fxh h LEU 20 CO -0.14 0.39 0.21 0.58 0.09 0.00 0.00 178.44 179.57 3fxh h VAL 21 N 0.68 1.26 -0.14 1.22 2.07 -0.38 -1.61 116.25 119.35 3fxh h VAL 21 Ca 0.23 -0.90 0.04 0.00 0.82 0.00 0.00 66.70 66.89 3fxh h VAL 21 Cb 0.02 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3fxh h VAL 21 CO -0.10 0.35 0.10 -0.78 0.02 0.00 0.00 177.57 177.16 3fxh h ASP 22 N 1.04 0.00 -0.33 0.57 3.58 -0.23 0.56 116.42 121.62 3fxh h ASP 22 Ca 0.23 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.68 3fxh h ASP 22 Cb 0.31 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.36 3fxh h ASP 22 CO -0.01 0.00 0.00 -1.20 -2.88 0.00 0.00 179.24 175.15 3fxh n SER 23 N -4.42 2.24 0.00 2.28 7.64 -0.79 -4.92 113.62 115.65 3fxh n SER 23 Ca 0.00 -1.89 0.00 0.00 1.01 0.00 0.00 58.87 58.00 3fxh n SER 23 Cb 0.22 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 3fxh n SER 23 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fxh n GLY 24 N 1.22 0.55 3.83 0.23 0.00 0.19 -5.04 105.19 106.16 3fxh n GLY 24 Ca 0.16 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 3fxh n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fxh s HIS 25 N -2.00 3.30 0.00 1.61 3.76 -0.67 -5.00 115.29 116.29 3fxh s HIS 25 Ca 0.00 1.49 0.00 0.00 -0.15 0.00 0.00 55.06 56.40 3fxh s HIS 25 Cb 0.00 -2.86 0.00 0.00 1.11 0.00 0.00 32.58 30.83 3fxh s HIS 25 CO 0.00 -0.60 0.00 0.45 -0.85 0.00 0.00 174.74 173.74 3fxh n SER 26 N -1.68 0.00 -4.51 1.40 2.88 -1.26 -4.38 113.62 106.07 3fxh n SER 26 Ca 0.07 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.32 3fxh n SER 26 Cb 0.54 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.89 3fxh n SER 26 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3fxh s THR 28 N -1.29 2.93 0.36 2.46 -4.23 -1.26 -4.95 115.64 109.66 3fxh s THR 28 Ca 0.00 -1.49 0.04 0.00 -1.18 0.00 0.00 61.69 59.06 3fxh s THR 28 Cb 0.00 -2.36 0.28 0.00 1.34 0.00 0.00 72.50 71.76 3fxh s THR 28 CO 0.00 0.08 1.99 0.08 -0.54 0.00 0.00 174.62 176.23 3fxh h ARG 29 N 3.64 0.76 -0.41 3.99 0.11 -1.92 -1.52 114.38 119.04 3fxh h ARG 29 Ca -0.49 -0.05 -0.03 0.00 0.10 0.00 0.00 59.98 59.51 3fxh h ARG 29 Cb 1.17 -0.17 -0.02 0.00 1.11 0.00 0.00 29.97 32.06 3fxh h ARG 29 CO 0.47 0.50 0.15 -0.44 0.10 0.00 0.00 179.97 180.76 3fxh h ASP 30 N 0.78 0.58 -0.44 0.08 5.19 -1.99 -0.18 116.42 120.45 3fxh h ASP 30 Ca 0.27 -0.18 -0.12 0.00 -0.62 0.00 0.00 57.03 56.38 3fxh h ASP 30 Cb 0.09 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.43 3fxh h ASP 30 CO -0.08 0.61 -0.18 -0.61 -3.12 0.00 0.00 179.24 175.86 3fxh h GLN 31 N 0.52 0.93 -0.40 3.56 4.15 -1.92 -1.93 115.11 120.03 3fxh h GLN 31 Ca 0.14 -0.37 -0.01 0.00 0.77 0.00 0.00 58.65 59.18 3fxh h GLN 31 Cb 0.22 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 3fxh h GLN 31 CO -0.01 1.03 0.21 0.35 -1.93 0.00 0.00 178.83 178.48 3fxh h PHE 32 N 0.82 0.55 -0.28 3.99 3.57 -0.89 -0.74 116.94 123.96 3fxh h PHE 32 Ca 0.12 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.51 3fxh h PHE 32 Cb 0.73 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 3fxh h PHE 32 CO 0.05 0.43 -0.21 0.45 -2.23 0.00 0.00 178.31 176.79 3fxh h HIS 33 N 0.51 0.57 0.13 0.41 3.86 -0.95 -1.72 115.15 117.96 3fxh h HIS 33 Ca 0.14 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 3fxh h HIS 33 Cb 0.07 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.40 3fxh h HIS 33 CO -0.02 0.69 -0.06 1.49 0.86 0.00 0.00 177.93 180.89 3fxh h GLU 34 N 0.46 -0.17 -0.69 2.45 4.81 -1.08 -1.36 114.58 119.00 3fxh h GLU 34 Ca 0.07 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.35 3fxh h GLU 34 Cb 0.62 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.00 3fxh h GLU 34 CO 0.04 0.15 0.42 -0.07 -0.73 0.00 0.00 179.01 178.82 3fxh h LEU 35 N -0.50 0.67 -0.32 1.64 3.38 -1.08 -1.39 115.31 117.72 3fxh h LEU 35 Ca -0.02 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3fxh h LEU 35 Cb 0.40 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3fxh h LEU 35 CO 0.03 0.46 0.01 0.28 0.09 0.00 0.00 178.44 179.31 3fxh h SER 36 N 0.81 0.54 -0.54 -0.43 0.02 -1.32 0.72 113.55 113.35 3fxh h SER 36 Ca 0.28 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3fxh h SER 36 Cb 0.06 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 3fxh h SER 36 CO -0.13 0.71 0.35 -0.08 -1.14 0.00 0.00 176.83 176.54 3fxh h GLU 37 N 0.36 0.72 -0.21 3.45 4.81 -1.02 0.19 114.58 122.89 3fxh h GLU 37 Ca 0.09 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3fxh h GLU 37 Cb 0.43 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3fxh h GLU 37 CO 0.01 0.49 0.00 1.04 -0.73 0.00 0.00 179.01 179.82 3fxh n GLN 38 N -4.44 1.57 -3.80 1.92 6.02 -0.54 -4.92 117.38 113.18 3fxh n GLN 38 Ca 0.05 -0.87 -0.24 0.00 -0.01 0.00 0.00 57.00 55.93 3fxh n GLN 38 Cb 0.06 -1.25 0.02 0.00 1.02 0.00 0.00 30.24 30.08 3fxh n GLN 38 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3fxh n GLU 39 N 0.17 -4.64 -1.03 -1.09 1.02 0.67 -4.87 120.64 110.86 3fxh n GLU 39 Ca 0.11 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 57.82 3fxh n GLU 39 Cb 0.23 -5.09 -0.01 0.00 -0.02 0.00 0.00 31.44 26.55 3fxh n GLU 39 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 3fxh n ARG 40 N -4.37 0.00 -0.11 3.49 1.85 0.14 -4.78 116.66 112.87 3fxh n ARG 40 Ca -0.23 -1.31 -0.10 0.00 -1.00 0.00 0.00 57.85 55.21 3fxh n ARG 40 Cb 0.65 -0.02 -0.02 0.00 -1.05 0.00 0.00 32.46 32.02 3fxh n ARG 40 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 177.63 177.97 3fxh h PHE 41 N 0.43 0.54 -0.18 2.89 3.57 -1.87 -1.18 116.94 121.13 3fxh h PHE 41 Ca -0.22 -0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.18 3fxh h PHE 41 Cb 1.57 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 40.15 3fxh h PHE 41 CO 0.03 0.53 -0.10 0.82 -2.23 0.00 0.00 178.31 177.36 3fxh h ILE 42 N 0.40 1.31 -0.82 1.41 1.08 -1.92 -2.14 117.51 116.83 3fxh h ILE 42 Ca 0.11 -1.17 0.12 0.00 -0.39 0.00 0.00 64.86 63.53 3fxh h ILE 42 Cb 0.23 1.69 -0.08 0.00 -3.07 0.00 0.00 36.82 35.59 3fxh h ILE 42 CO -0.00 0.35 0.44 0.00 -0.69 0.00 0.00 178.15 178.25 3fxh h ALA 43 N 0.68 1.20 -0.23 1.87 0.00 -1.92 -0.09 119.26 120.77 3fxh h ALA 43 Ca 0.04 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3fxh h ALA 43 Cb 0.59 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3fxh h ALA 43 CO 0.03 -0.00 0.12 0.35 0.00 0.00 0.00 179.25 179.75 3fxh h PHE 44 N 0.70 0.23 -0.39 0.00 3.04 -0.89 -1.34 116.94 118.28 3fxh h PHE 44 Ca 0.42 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.37 3fxh h PHE 44 Cb 0.50 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.92 3fxh h PHE 44 CO -0.08 0.13 0.22 -0.07 -2.02 0.00 0.00 178.31 176.49 3fxh h LEU 45 N 0.26 0.49 -1.31 0.59 3.38 -0.75 0.17 115.31 118.14 3fxh h LEU 45 Ca 0.09 -0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.06 3fxh h LEU 45 Cb 0.01 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 3fxh h LEU 45 CO -0.06 0.44 0.52 0.00 0.09 0.00 0.00 178.44 179.43 3fxh h ALA 46 N 1.07 1.71 0.00 1.53 0.00 -0.74 -0.59 119.26 122.24 3fxh h ALA 46 Ca 0.14 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3fxh h ALA 46 Cb 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3fxh h ALA 46 CO -0.02 0.14 -0.47 1.49 0.00 0.00 0.00 179.25 180.39 3fxh h GLU 47 N 0.78 0.00 -0.75 0.00 4.57 -0.91 -2.77 114.58 115.51 3fxh h GLU 47 Ca 0.36 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.58 3fxh h GLU 47 Cb 0.38 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.92 3fxh h GLU 47 CO -0.14 0.76 0.47 -0.22 -1.18 0.00 0.00 179.01 178.70 3fxh h LYS 48 N -1.00 0.90 -0.58 1.92 3.64 -0.59 -2.81 116.57 118.06 3fxh h LYS 48 Ca -0.11 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.03 3fxh h LYS 48 Cb 0.91 -0.20 -0.11 0.00 -0.41 0.00 0.00 32.23 32.42 3fxh h LYS 48 CO -0.07 0.59 0.17 0.66 -2.27 0.00 0.00 179.45 178.53 3fxh n TYR 49 N -4.63 1.91 0.28 1.91 4.01 -0.24 -4.67 117.16 115.73 3fxh n TYR 49 Ca 0.09 -1.24 0.18 0.00 -0.16 0.00 0.00 57.90 56.77 3fxh n TYR 49 Cb 0.09 -0.58 0.95 0.00 -0.31 0.00 0.00 39.34 39.49 3fxh n TYR 49 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3fxh h SER 50 N 2.09 0.00 1.16 7.72 4.64 -1.21 0.10 113.55 128.06 3fxh h SER 50 Ca 0.22 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.53 3fxh h SER 50 Cb 2.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.14 3fxh h SER 50 CO 0.58 0.00 -0.05 0.77 -0.87 0.00 0.00 176.83 177.27 3fxh h SER 51 N 0.00 0.00 0.00 4.97 4.64 -1.86 -3.38 113.55 117.93 3fxh h SER 51 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3fxh h SER 51 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3fxh h SER 51 CO -0.00 0.05 -0.50 0.35 -0.87 0.00 0.00 176.83 175.86 3fxh n THR 52 N -3.15 0.00 -2.09 2.95 -2.24 -0.19 -5.08 114.28 104.48 3fxh n THR 52 Ca 0.01 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.38 3fxh n THR 52 Cb 0.37 -0.32 -0.02 0.00 -2.10 0.00 0.00 70.33 68.26 3fxh n THR 52 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3fxh s ILE 53 N -1.38 2.76 -0.33 2.28 2.07 0.19 -5.00 121.20 121.79 3fxh s ILE 53 Ca 0.00 0.69 -0.01 0.00 -1.41 0.00 0.00 60.65 59.92 3fxh s ILE 53 Cb 0.00 -3.44 0.07 0.00 0.13 0.00 0.00 42.46 39.22 3fxh s ILE 53 CO 0.00 0.14 0.05 -0.54 -1.91 0.00 0.00 174.94 172.68 3fxh s LYS 54 N -1.01 2.24 -0.50 3.50 1.02 -1.26 -4.90 119.74 118.82 3fxh s LYS 54 Ca 0.54 -1.46 0.03 0.00 0.02 0.00 0.00 55.97 55.10 3fxh s LYS 54 Cb -0.40 -3.28 0.13 0.00 -0.52 0.00 0.00 37.83 33.76 3fxh s LYS 54 CO 0.47 -0.76 0.26 -0.51 -0.92 0.00 0.00 175.35 173.89 3fxh s LEU 55 N 1.19 3.84 0.31 3.17 1.43 -1.26 -4.89 118.68 122.47 3fxh s LEU 55 Ca -0.00 -2.94 0.11 0.00 -1.03 0.00 0.00 54.13 50.27 3fxh s LEU 55 Cb -0.20 -1.46 0.50 0.00 0.03 0.00 0.00 46.19 45.06 3fxh s LEU 55 CO -0.03 -0.24 1.70 1.88 0.23 0.00 0.00 176.35 179.90 3fxh h TYR 56 N 6.52 0.02 0.05 0.29 0.05 -1.97 -2.93 116.97 119.01 3fxh h TYR 56 Ca -0.05 -0.01 -0.37 0.00 0.05 0.00 0.00 58.73 58.36 3fxh h TYR 56 Cb 0.90 -0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.59 3fxh h TYR 56 CO 0.51 0.52 -2.17 0.66 -1.05 0.00 0.00 178.16 176.64 3fxh n TYR 57 N -3.93 0.67 0.84 4.88 4.02 -1.26 -4.23 117.16 118.14 3fxh n TYR 57 Ca -0.01 0.16 0.10 0.00 -0.01 0.00 0.00 57.90 58.13 3fxh n TYR 57 Cb 0.53 -1.09 0.07 0.00 -0.02 0.00 0.00 39.34 38.82 3fxh n TYR 57 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3fxh n LEU 58 N -3.28 2.51 -4.67 7.72 4.77 -1.24 -3.81 117.00 119.00 3fxh n LEU 58 Ca -0.35 -0.95 -0.42 0.00 -0.03 0.00 0.00 56.01 54.25 3fxh n LEU 58 Cb 1.04 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.10 3fxh n LEU 58 CO 0.37 0.44 0.74 0.00 -1.33 0.00 0.00 177.39 177.61 3fxh s ALA 59 N -1.77 3.57 -0.92 -1.18 0.00 -1.11 -4.92 121.76 115.42 3fxh s ALA 59 Ca 0.22 0.12 0.09 0.00 0.00 0.00 0.00 51.96 52.38 3fxh s ALA 59 Cb 0.16 -3.37 0.38 0.00 0.00 0.00 0.00 23.12 20.30 3fxh s ALA 59 CO 0.30 -0.80 1.27 -0.40 0.00 0.00 0.00 175.76 176.13 3fxh n ASP 60 N 5.63 0.07 -0.86 0.00 5.68 -1.26 -0.26 116.55 125.54 3fxh n ASP 60 Ca 0.08 0.52 0.12 0.00 -0.50 0.00 0.00 54.79 55.01 3fxh n ASP 60 Cb 0.48 -0.54 0.22 0.00 -1.14 0.00 0.00 41.12 40.14 3fxh n ASP 60 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3fxh n SER 61 N -1.59 2.67 -4.78 -1.12 3.41 -1.26 -4.90 113.62 106.05 3fxh n SER 61 Ca 0.01 -1.88 -0.39 0.00 -0.26 0.00 0.00 58.87 56.36 3fxh n SER 61 Cb 0.09 -0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 63.94 3fxh n SER 61 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3fxh s SER 62 N -1.91 7.22 0.39 4.04 0.15 0.64 -4.95 113.70 119.29 3fxh s SER 62 Ca 0.32 1.45 0.28 0.00 0.70 0.00 0.00 55.95 58.70 3fxh s SER 62 Cb 0.20 -2.44 1.34 0.00 -1.71 0.00 0.00 66.02 63.41 3fxh s SER 62 CO 0.31 0.18 1.84 1.55 1.20 0.00 0.00 173.24 178.31 3fxh h PRO 63 N 4.80 0.00 -0.00 5.44 0.13 -1.86 -1.36 132.00 139.15 3fxh h PRO 63 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3fxh h PRO 63 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3fxh h PRO 63 CO 0.67 0.00 -0.22 1.28 -0.23 0.00 0.00 178.00 179.50 3fxh n LEU 64 N -2.51 0.64 -4.74 1.56 4.77 -1.26 -4.92 117.00 110.54 3fxh n LEU 64 Ca -0.00 -0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.51 3fxh n LEU 64 Cb 0.15 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 3fxh n LEU 64 CO 0.17 0.12 1.14 0.12 -1.33 0.00 0.00 177.39 177.62 3fxh s PHE 65 N -2.61 3.00 -0.07 -1.77 5.36 -0.51 -4.80 117.98 116.57 3fxh s PHE 65 Ca 0.23 0.92 -0.01 0.00 -0.96 0.00 0.00 56.93 57.11 3fxh s PHE 65 Cb 0.19 -3.87 0.03 0.00 -0.34 0.00 0.00 43.02 39.03 3fxh s PHE 65 CO 0.53 -2.91 -0.02 -1.21 -1.46 0.00 0.00 175.22 170.15 3fxh s GLU 66 N -0.05 0.79 0.34 10.12 2.02 -1.26 -5.04 118.70 125.62 3fxh s GLU 66 Ca 0.62 0.02 0.02 0.00 0.02 0.00 0.00 54.97 55.65 3fxh s GLU 66 Cb -0.43 -1.05 0.61 0.00 0.10 0.00 0.00 34.13 33.36 3fxh s GLU 66 CO 0.41 -0.26 2.00 1.57 0.02 0.00 0.00 175.26 178.99 3fxh h LYS 67 N 8.13 0.85 -0.45 1.61 2.10 -1.96 -1.59 116.57 125.26 3fxh h LYS 67 Ca -0.24 -0.06 0.04 0.00 -2.00 0.00 0.00 60.65 58.39 3fxh h LYS 67 Cb 1.13 -0.19 -0.04 0.00 -0.90 0.00 0.00 32.23 32.23 3fxh h LYS 67 CO 0.32 0.58 0.21 -0.44 -2.00 0.00 0.00 179.45 178.11 3fxh h ASP 68 N 0.87 0.28 -0.18 7.07 3.32 -1.96 0.14 116.42 125.96 3fxh h ASP 68 Ca 0.23 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 3fxh h ASP 68 Cb -0.07 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3fxh h ASP 68 CO -0.05 0.20 -0.04 0.74 -1.72 0.00 0.00 179.24 178.37 3fxh h THR 69 N 0.41 1.29 -0.42 0.35 2.02 -1.75 -1.36 112.91 113.46 3fxh h THR 69 Ca 0.20 -1.02 -0.06 0.00 0.77 0.00 0.00 66.41 66.30 3fxh h THR 69 Cb 0.14 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 3fxh h THR 69 CO -0.16 0.30 0.02 0.28 0.37 0.00 0.00 175.52 176.33 3fxh h SER 70 N 0.06 0.71 -0.59 4.18 0.02 -1.19 -0.80 113.55 115.94 3fxh h SER 70 Ca 0.05 -0.30 -0.07 0.00 -0.84 0.00 0.00 61.79 60.63 3fxh h SER 70 Cb 0.49 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 3fxh h SER 70 CO 0.02 0.83 0.11 0.28 -1.14 0.00 0.00 176.83 176.93 3fxh h SER 71 N 0.56 0.92 -0.23 3.07 0.02 -0.76 -0.01 113.55 117.12 3fxh h SER 71 Ca 0.12 -0.25 0.01 0.00 -0.84 0.00 0.00 61.79 60.83 3fxh h SER 71 Cb 0.46 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 3fxh h SER 71 CO 0.02 0.94 0.12 0.15 -1.14 0.00 0.00 176.83 176.92 3fxh h PHE 72 N 0.87 0.22 -0.05 3.45 3.57 -1.07 -1.30 116.94 122.64 3fxh h PHE 72 Ca 0.18 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 3fxh h PHE 72 Cb 0.40 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 3fxh h PHE 72 CO 0.03 0.13 0.02 0.82 -2.23 0.00 0.00 178.31 177.08 3fxh h ILE 73 N 0.25 1.09 -0.73 1.41 2.04 -0.94 0.81 117.51 121.45 3fxh h ILE 73 Ca 0.09 -0.27 0.05 0.00 1.00 0.00 0.00 64.86 65.74 3fxh h ILE 73 Cb 0.02 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 3fxh h ILE 73 CO -0.06 0.08 0.44 -0.33 0.00 0.00 0.00 178.15 178.27 3fxh h GLU 74 N -0.03 0.79 -0.38 2.37 4.39 -0.91 -0.98 114.58 119.82 3fxh h GLU 74 Ca 0.02 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.56 3fxh h GLU 74 Cb 0.10 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 3fxh h GLU 74 CO -0.00 0.52 -0.19 -0.97 -1.16 0.00 0.00 179.01 177.21 3fxh h ASN 75 N 0.81 0.73 -0.68 1.42 -1.24 -1.10 -2.65 115.58 112.87 3fxh h ASN 75 Ca 0.32 -0.25 -0.04 0.00 0.71 0.00 0.00 56.30 57.04 3fxh h ASN 75 Cb 0.14 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 38.96 3fxh h ASN 75 CO -0.16 0.92 0.25 0.00 -1.29 0.00 0.00 177.43 177.15 3fxh h ALA 76 N 1.14 0.88 -0.57 1.57 0.00 -0.04 -0.19 119.26 122.06 3fxh h ALA 76 Ca 0.10 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3fxh h ALA 76 Cb 0.68 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3fxh h ALA 76 CO 0.05 0.52 0.36 0.74 0.00 0.00 0.00 179.25 180.92 3fxh h PHE 77 N 0.97 0.67 -0.36 0.00 0.04 -1.10 -1.11 116.94 116.05 3fxh h PHE 77 Ca 0.22 0.02 0.05 0.00 2.80 0.00 0.00 57.97 61.06 3fxh h PHE 77 Cb 0.24 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.12 3fxh h PHE 77 CO 0.02 0.40 0.11 0.78 -0.60 0.00 0.00 178.31 179.02 3fxh h GLY 78 N 0.72 0.45 0.85 -1.45 0.00 -1.03 0.94 103.07 103.55 3fxh h GLY 78 Ca 0.22 -0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 3fxh h GLY 78 CO -0.07 0.01 0.01 3.21 0.00 0.00 0.00 176.54 179.70 3fxh h ARG 79 N 0.25 0.05 -0.31 4.80 3.08 -0.73 -2.41 114.38 119.12 3fxh h ARG 79 Ca 0.17 -0.01 -0.17 0.00 0.07 0.00 0.00 59.98 60.04 3fxh h ARG 79 Cb 0.16 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 3fxh h ARG 79 CO -0.19 0.19 -0.46 0.45 -1.07 0.00 0.00 179.97 178.90 3fxh h HIS 80 N -0.10 1.05 0.00 3.04 3.86 -1.09 -2.86 115.15 119.06 3fxh h HIS 80 Ca 0.01 -0.35 0.00 0.00 -1.16 0.00 0.00 60.37 58.87 3fxh h HIS 80 Cb 0.16 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.42 3fxh h HIS 80 CO -0.02 1.17 0.00 0.00 0.86 0.00 0.00 177.93 179.94 3fxh n ALA 81 N -2.55 1.61 0.48 2.45 0.00 0.31 -1.26 120.51 121.56 3fxh n ALA 81 Ca -0.04 0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.63 3fxh n ALA 81 Cb 0.58 -1.39 0.45 0.00 0.00 0.00 0.00 19.45 19.09 3fxh n ALA 81 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 3fxh h ASN 82 N 0.00 0.00 0.00 0.00 -1.24 -1.18 -3.37 115.58 109.79 3fxh h ASN 82 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3fxh h ASN 82 Cb 0.34 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.39 3fxh h ASN 82 CO 0.00 0.00 -0.50 0.35 -1.29 0.00 0.00 177.43 175.99 3fxh n THR 83 N -2.33 0.00 -4.24 -3.57 -2.24 -0.39 -5.06 114.28 96.45 3fxh n THR 83 Ca 0.04 -0.11 -0.23 0.00 -2.27 0.00 0.00 64.05 61.47 3fxh n THR 83 Cb 0.33 0.56 -0.07 0.00 -2.10 0.00 0.00 70.33 69.05 3fxh n THR 83 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3fxh s VAL 84 N -1.22 3.20 0.00 2.28 -7.23 -0.66 -5.13 120.40 111.63 3fxh s VAL 84 Ca 0.00 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.32 3fxh s VAL 84 Cb 0.00 -2.88 0.00 0.00 0.56 0.00 0.00 36.38 34.06 3fxh s VAL 84 CO 0.00 -0.29 0.00 1.33 -0.31 0.00 0.00 175.10 175.83 3fxh n VAL 85 N -0.99 0.00 0.00 1.32 0.24 -1.26 -4.78 118.33 112.86 3fxh n VAL 85 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 3fxh n VAL 85 Cb 0.60 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 3fxh n VAL 85 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3fxh n GLU 87 N 0.00 0.00 0.25 7.34 4.71 -1.24 -3.88 120.64 127.81 3fxh n GLU 87 Ca 0.00 0.00 0.17 0.00 -0.01 0.00 0.00 57.16 57.32 3fxh n GLU 87 Cb 0.00 0.00 0.68 0.00 -1.01 0.00 0.00 31.44 31.11 3fxh n GLU 87 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 3fxh h ASP 88 N 0.00 0.00 -0.03 1.62 3.32 -1.96 -2.31 116.42 117.05 3fxh h ASP 88 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3fxh h ASP 88 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3fxh h ASP 88 CO 0.00 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.01 3fxh n PHE 89 N -2.89 0.10 -2.03 4.55 3.72 -1.25 -4.98 117.46 114.67 3fxh n PHE 89 Ca 0.01 -0.89 -0.12 0.00 -0.05 0.00 0.00 57.45 56.39 3fxh n PHE 89 Cb 0.27 -0.15 -0.02 0.00 -0.94 0.00 0.00 39.48 38.65 3fxh n PHE 89 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fxh n GLY 90 N -1.15 0.19 3.87 1.37 0.00 -0.87 -5.02 105.19 103.58 3fxh n GLY 90 Ca 0.14 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 3fxh n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fxh s LEU 91 N -3.31 3.49 0.00 0.99 1.43 -1.26 -4.98 118.68 115.04 3fxh s LEU 91 Ca 0.00 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 3fxh s LEU 91 Cb 0.00 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 44.07 3fxh s LEU 91 CO 0.00 -0.54 0.00 0.29 0.23 0.00 0.00 176.35 176.33 3fxh n LYS 92 N -1.49 0.00 -0.03 1.70 4.76 -1.26 -3.73 118.16 118.11 3fxh n LYS 92 Ca 0.02 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.41 3fxh n LYS 92 Cb 0.61 -0.37 -0.02 0.00 -1.84 0.00 0.00 35.03 33.41 3fxh n LYS 92 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3fxh n SER 93 N -2.27 1.52 -4.44 4.39 7.64 -1.26 -4.93 113.62 114.27 3fxh n SER 93 Ca 0.00 0.24 -0.44 0.00 1.01 0.00 0.00 58.87 59.68 3fxh n SER 93 Cb 0.15 -0.56 -0.05 0.00 -1.01 0.00 0.00 64.21 62.74 3fxh n SER 93 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3fxh s ASN 94 N -5.88 6.22 0.36 6.43 3.84 -1.26 -4.43 114.94 120.22 3fxh s ASN 94 Ca -0.16 -0.95 0.27 0.00 0.21 0.00 0.00 52.86 52.23 3fxh s ASN 94 Cb 0.02 -2.34 1.22 0.00 -0.55 0.00 0.00 41.25 39.60 3fxh s ASN 94 CO 0.24 -1.11 1.80 0.00 -2.79 0.00 0.00 177.10 175.24 3fxh h ALA 95 N 9.21 1.00 -0.41 1.71 0.00 -1.92 -1.39 119.26 127.46 3fxh h ALA 95 Ca -0.28 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.71 3fxh h ALA 95 Cb 1.08 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3fxh h ALA 95 CO 1.06 0.00 0.29 -0.07 0.00 0.00 0.00 179.25 180.53 3fxh h LEU 96 N 0.00 0.17 -0.17 0.00 3.38 -1.92 -0.91 115.31 115.86 3fxh h LEU 96 Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 3fxh h LEU 96 Cb 0.26 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3fxh h LEU 96 CO 0.00 0.11 -0.73 -0.07 0.09 0.00 0.00 178.44 177.84 3fxh h LEU 97 N 0.19 0.00 -0.79 1.67 3.38 -1.66 -2.39 115.31 115.71 3fxh h LEU 97 Ca 0.19 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 3fxh h LEU 97 Cb 0.50 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3fxh h LEU 97 CO -0.03 0.73 -0.01 0.25 0.09 0.00 0.00 178.44 179.46 3fxh h LEU 98 N 0.00 0.87 -1.20 1.67 5.85 -1.33 -2.75 115.31 118.42 3fxh h LEU 98 Ca -0.01 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.50 3fxh h LEU 98 Cb 1.48 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.24 3fxh h LEU 98 CO 0.09 0.94 0.55 0.00 -0.34 0.00 0.00 178.44 179.68 3fxh h ALA 99 N 1.15 1.44 -0.54 1.25 0.00 -0.85 -0.81 119.26 120.90 3fxh h ALA 99 Ca 0.15 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3fxh h ALA 99 Cb 0.51 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3fxh h ALA 99 CO 0.03 0.51 0.19 0.82 0.00 0.00 0.00 179.25 180.79 3fxh h ILE 100 N 1.09 1.23 -0.75 0.00 2.04 -1.20 0.57 117.51 120.48 3fxh h ILE 100 Ca 0.31 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 65.42 3fxh h ILE 100 Cb -0.08 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 3fxh h ILE 100 CO -0.08 0.28 0.46 0.78 0.00 0.00 0.00 178.15 179.60 3fxh h ASN 101 N 0.74 0.90 -0.58 1.72 2.35 -1.13 -2.31 115.58 117.28 3fxh h ASN 101 Ca 0.18 -0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.81 3fxh h ASN 101 Cb 0.25 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 3fxh h ASN 101 CO -0.01 0.69 0.15 0.40 -1.65 0.00 0.00 177.43 177.01 3fxh h ILE 102 N 1.03 1.24 -0.93 2.81 2.04 -0.88 -1.99 117.51 120.84 3fxh h ILE 102 Ca 0.27 -0.89 0.15 0.00 1.00 0.00 0.00 64.86 65.39 3fxh h ILE 102 Cb -0.05 0.62 -0.10 0.00 -0.74 0.00 0.00 36.82 36.55 3fxh h ILE 102 CO -0.05 0.34 0.53 0.00 0.00 0.00 0.00 178.15 178.96 3fxh h LEU 104 N 0.74 0.68 -1.17 0.00 3.38 -1.02 -0.50 115.31 117.41 3fxh h LEU 104 Ca 0.51 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 58.20 3fxh h LEU 104 Cb 0.70 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3fxh h LEU 104 CO -0.35 0.88 0.07 0.00 0.09 0.00 0.00 178.44 179.13 3fxh h ALA 105 N 1.18 1.33 -0.32 1.53 0.00 -0.75 -2.19 119.26 120.05 3fxh h ALA 105 Ca 0.09 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 3fxh h ALA 105 Cb 0.67 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3fxh h ALA 105 CO 0.05 0.47 -0.49 0.82 0.00 0.00 0.00 179.25 180.10 3fxh h ILE 106 N 0.62 1.27 -0.74 0.00 2.04 -0.33 -2.53 117.51 117.85 3fxh h ILE 106 Ca 0.14 -1.67 0.03 0.00 1.00 0.00 0.00 64.86 64.36 3fxh h ILE 106 Cb 0.29 1.55 -0.05 0.00 -0.74 0.00 0.00 36.82 37.87 3fxh h ILE 106 CO 0.00 0.55 0.47 -0.07 0.00 0.00 0.00 178.15 179.10 3fxh h LEU 107 N 0.69 0.77 -0.62 1.44 3.38 -0.85 0.18 115.31 120.31 3fxh h LEU 107 Ca 0.03 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.05 3fxh h LEU 107 Cb 1.09 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.62 3fxh h LEU 107 CO 0.11 0.54 0.35 0.03 0.09 0.00 0.00 178.44 179.56 3fxh h ARG 108 N 0.92 0.64 -0.53 1.13 3.08 -1.23 -0.43 114.38 117.96 3fxh h ARG 108 Ca 0.30 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.31 3fxh h ARG 108 Cb 0.01 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 3fxh h ARG 108 CO -0.11 0.42 0.35 0.93 -1.07 0.00 0.00 179.97 180.49 3fxh h GLU 109 N 0.66 0.69 -0.57 0.04 5.08 -0.83 -2.91 114.58 116.74 3fxh h GLU 109 Ca 0.27 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.49 3fxh h GLU 109 Cb 0.14 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3fxh h GLU 109 CO -0.16 0.46 -0.03 0.82 -1.00 0.00 0.00 179.01 179.10 3fxh h ILE 110 N 0.71 1.26 -0.01 3.13 2.04 -0.58 -3.51 117.51 120.54 3fxh h ILE 110 Ca 0.19 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.88 3fxh h ILE 110 Cb -0.08 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 3fxh h ILE 110 CO -0.04 0.42 0.00 0.59 0.00 0.00 0.00 178.15 179.12