#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c0s s ASN 2 N 0.00 7.54 0.52 7.83 -0.87 -1.26 -4.69 114.94 124.00 2c0s s ASN 2 Ca 0.00 1.82 0.30 0.00 -1.57 0.00 0.00 52.86 53.41 2c0s s ASN 2 Cb 0.00 -2.56 1.33 0.00 -0.02 0.00 0.00 41.25 40.00 2c0s s ASN 2 CO 0.00 0.17 1.99 -0.37 -2.57 0.00 0.00 177.10 176.32 2c0s h VAL 3 N 3.26 0.32 -0.51 1.60 -1.51 -1.98 -1.33 116.25 116.09 2c0s h VAL 3 Ca -0.46 -0.68 -0.09 0.00 -1.23 0.00 0.00 66.70 64.25 2c0s h VAL 3 Cb 1.20 1.51 -0.02 0.00 -2.13 0.00 0.00 31.29 31.86 2c0s h VAL 3 CO 0.67 0.10 -0.04 0.00 -1.23 0.00 0.00 177.57 177.08 2c0s h THR 4 N 0.00 1.26 0.00 7.19 1.03 -1.98 0.15 112.91 120.55 2c0s h THR 4 Ca -0.00 -1.11 -0.19 0.00 -0.01 0.00 0.00 66.41 65.10 2c0s h THR 4 Cb 0.50 0.91 -0.03 0.00 -1.07 0.00 0.00 68.15 68.47 2c0s h THR 4 CO 0.01 0.39 -0.89 0.11 -0.01 0.00 0.00 175.52 175.14 2c0s h LYS 5 N 0.81 0.01 -0.60 0.00 1.79 -1.70 -0.91 116.57 115.97 2c0s h LYS 5 Ca 0.15 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.59 2c0s h LYS 5 Cb 0.53 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.16 2c0s h LYS 5 CO 0.03 0.89 0.32 1.25 -1.08 0.00 0.00 179.45 180.85 2c0s h LEU 6 N 0.00 0.77 -0.76 2.94 5.85 -0.96 -1.90 115.31 121.25 2c0s h LEU 6 Ca -0.01 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.55 2c0s h LEU 6 Cb 1.56 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.37 2c0s h LEU 6 CO 0.12 0.66 0.28 -1.13 -0.34 0.00 0.00 178.44 178.02 2c0s h ASN 7 N 0.82 1.07 -0.83 1.25 -0.73 -0.52 -2.12 115.58 114.52 2c0s h ASN 7 Ca 0.21 -0.19 0.04 0.00 1.87 0.00 0.00 56.30 58.23 2c0s h ASN 7 Cb 0.07 -0.28 -0.05 0.00 0.27 0.00 0.00 38.32 38.33 2c0s h ASN 7 CO -0.03 0.97 0.55 -0.78 -0.37 0.00 0.00 177.43 177.76 2c0s h ASP 8 N 1.11 0.88 0.01 1.15 3.58 -0.69 0.47 116.42 122.93 2c0s h ASP 8 Ca 0.25 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.69 2c0s h ASP 8 Cb 0.25 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2c0s h ASP 8 CO -0.02 0.60 -0.01 0.03 -2.88 0.00 0.00 179.24 176.97 2c0s h ARG 9 N 1.02 -0.02 -0.49 0.28 3.08 -0.95 -2.86 114.38 114.44 2c0s h ARG 9 Ca 0.33 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.36 2c0s h ARG 9 Cb 0.06 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 2c0s h ARG 9 CO -0.10 0.24 0.21 0.82 -1.07 0.00 0.00 179.97 180.07 2c0s h ILE 10 N -0.28 1.20 -1.00 2.04 2.04 -0.78 -2.80 117.51 117.94 2c0s h ILE 10 Ca -0.00 -0.60 0.08 0.00 1.00 0.00 0.00 64.86 65.33 2c0s h ILE 10 Cb 0.27 0.70 -0.07 0.00 -0.74 0.00 0.00 36.82 36.97 2c0s h ILE 10 CO 0.00 0.23 0.64 -0.08 0.00 0.00 0.00 178.15 178.95 2c0s h GLU 11 N 0.64 1.09 -0.45 2.37 4.57 -0.08 0.28 114.58 123.00 2c0s h GLU 11 Ca 0.16 -0.07 -0.08 0.00 -1.18 0.00 0.00 59.36 58.20 2c0s h GLU 11 Cb 0.16 -0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 2c0s h GLU 11 CO -0.02 0.72 -0.03 0.00 -1.18 0.00 0.00 179.01 178.50 2c0s h ALA 12 N 1.48 1.10 0.04 2.92 0.00 -1.26 0.13 119.26 123.67 2c0s h ALA 12 Ca 0.45 -0.27 -0.28 0.00 0.00 0.00 0.00 54.91 54.81 2c0s h ALA 12 Cb 0.25 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 17.88 2c0s h ALA 12 CO -0.20 0.57 -1.11 0.87 0.00 0.00 0.00 179.25 179.37 2c0s h LYS 13 N 0.70 0.67 -0.02 0.00 1.79 -0.70 -2.90 116.57 116.10 2c0s h LYS 13 Ca 0.13 -0.78 -0.16 0.00 -2.18 0.00 0.00 60.65 57.66 2c0s h LYS 13 Cb 0.48 0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 31.35 2c0s h LYS 13 CO 0.02 1.34 -0.72 1.57 -1.08 0.00 0.00 179.45 180.59 2c0s h LYS 14 N 0.35 0.15 -0.18 3.15 2.10 -0.46 0.20 116.57 121.88 2c0s h LYS 14 Ca -0.15 -0.13 -0.06 0.00 -2.00 0.00 0.00 60.65 58.31 2c0s h LYS 14 Cb 1.77 0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 33.12 2c0s h LYS 14 CO 0.22 0.80 -0.17 1.57 -2.00 0.00 0.00 179.45 179.87 2c0s h LYS 15 N 0.10 0.30 -0.06 0.07 5.09 -0.99 0.14 116.57 121.21 2c0s h LYS 15 Ca -0.02 -0.08 -0.08 0.00 0.09 0.00 0.00 60.65 60.56 2c0s h LYS 15 Cb 1.27 -0.03 0.00 0.00 0.10 0.00 0.00 32.23 33.57 2c0s h LYS 15 CO 0.11 0.48 -0.26 1.49 -2.09 0.00 0.00 179.45 179.17 2c0s h GLU 16 N 0.28 0.29 -0.52 0.07 4.81 -1.28 -2.84 114.58 115.40 2c0s h GLU 16 Ca 0.05 -0.22 0.05 0.00 -0.13 0.00 0.00 59.36 59.11 2c0s h GLU 16 Cb 0.48 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.85 2c0s h GLU 16 CO 0.03 0.86 0.25 1.25 -0.73 0.00 0.00 179.01 180.67 2c0s h LEU 17 N -0.22 0.34 -0.74 1.64 5.85 -0.13 0.13 115.31 122.18 2c0s h LEU 17 Ca -0.01 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.75 2c0s h LEU 17 Cb 0.90 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 2c0s h LEU 17 CO 0.05 0.23 0.49 0.40 -0.34 0.00 0.00 178.44 179.27 2c0s h ILE 18 N 0.48 1.19 -0.87 4.05 2.04 -0.79 0.19 117.51 123.79 2c0s h ILE 18 Ca 0.23 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 2c0s h ILE 18 Cb 0.17 0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.31 2c0s h ILE 18 CO -0.18 0.18 0.47 0.22 0.00 0.00 0.00 178.15 178.84 2c0s h TYR 19 N 1.00 1.20 -0.32 1.37 3.20 -1.05 -0.46 116.97 121.90 2c0s h TYR 19 Ca 0.27 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 62.02 2c0s h TYR 19 Cb -0.11 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 37.76 2c0s h TYR 19 CO -0.02 0.83 -0.19 -0.07 -1.64 0.00 0.00 178.16 177.07 2c0s h LEU 20 N 1.22 0.59 -0.78 2.82 3.38 0.32 -0.33 115.31 122.52 2c0s h LEU 20 Ca 0.30 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 2c0s h LEU 20 Cb 0.04 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2c0s h LEU 20 CO -0.05 0.79 -0.20 0.58 0.09 0.00 0.00 178.44 179.66 2c0s h VAL 21 N 0.53 1.27 0.10 1.22 2.07 0.28 0.51 116.25 122.23 2c0s h VAL 21 Ca 0.08 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 2c0s h VAL 21 Cb 0.63 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 2c0s h VAL 21 CO 0.04 0.42 -0.05 -0.33 0.02 0.00 0.00 177.57 177.68 2c0s h GLU 22 N 0.63 -0.13 0.05 1.57 5.08 -0.70 -2.53 114.58 118.54 2c0s h GLU 22 Ca 0.09 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.36 2c0s h GLU 22 Cb 0.68 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2c0s h GLU 22 CO 0.05 0.24 -0.52 0.87 -1.00 0.00 0.00 179.01 178.65 2c0s h LYS 23 N -0.53 0.10 0.03 2.33 1.79 -1.02 -3.40 116.57 115.87 2c0s h LYS 23 Ca -0.01 -0.17 -0.37 0.00 -2.18 0.00 0.00 60.65 57.91 2c0s h LYS 23 Cb 0.44 0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 31.09 2c0s h LYS 23 CO 0.02 1.08 -2.29 0.66 -1.08 0.00 0.00 179.45 177.85 2c0s n TYR 24 N -4.39 0.39 -0.10 -1.35 4.01 0.15 -5.08 117.16 110.79 2c0s n TYR 24 Ca -0.16 0.09 0.01 0.00 -0.16 0.00 0.00 57.90 57.69 2c0s n TYR 24 Cb 0.64 -1.06 -0.01 0.00 -0.31 0.00 0.00 39.34 38.60 2c0s n TYR 24 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2c0s n GLY 25 N 2.05 -2.69 3.57 2.72 0.00 0.25 -4.44 105.19 106.66 2c0s n GLY 25 Ca -0.38 -1.41 -0.30 0.00 0.00 0.00 0.00 46.02 43.92 2c0s n GLY 25 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2c0s s PHE 26 N -3.15 2.03 0.00 1.61 0.08 -1.26 -2.41 117.98 114.88 2c0s s PHE 26 Ca 0.00 0.19 0.00 0.00 0.12 0.00 0.00 56.93 57.24 2c0s s PHE 26 Cb 0.00 -4.19 0.00 0.00 -0.57 0.00 0.00 43.02 38.26 2c0s s PHE 26 CO 0.00 -1.66 0.00 -2.37 -0.10 0.00 0.00 175.22 171.09 2c0s n THR 27 N 7.60 0.00 -2.44 0.64 5.66 -1.26 -5.07 114.28 119.41 2c0s n THR 27 Ca 0.41 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.99 2c0s n THR 27 Cb 0.47 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.22 2c0s n THR 27 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 2c0s s HIS 28 N -0.46 3.47 0.41 1.09 3.76 -1.01 -4.92 115.29 117.63 2c0s s HIS 28 Ca 0.00 1.37 0.09 0.00 -0.15 0.00 0.00 55.06 56.37 2c0s s HIS 28 Cb 0.00 -3.39 0.87 0.00 1.11 0.00 0.00 32.58 31.16 2c0s s HIS 28 CO 0.00 -1.14 2.00 1.25 -0.85 0.00 0.00 174.74 176.01 2c0s h HIS 29 N 6.41 0.36 0.04 1.40 2.76 -1.98 -2.26 115.15 121.87 2c0s h HIS 29 Ca -0.42 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 57.76 2c0s h HIS 29 Cb 1.21 -0.11 -0.05 0.00 1.55 0.00 0.00 27.41 30.01 2c0s h HIS 29 CO 0.66 0.32 -0.49 0.87 -1.30 0.00 0.00 177.93 177.98 2c0s h LYS 30 N 0.36 -0.64 -0.72 5.26 1.79 -1.96 0.35 116.57 121.01 2c0s h LYS 30 Ca 0.09 0.04 0.02 0.00 -2.18 0.00 0.00 60.65 58.62 2c0s h LYS 30 Cb 0.13 0.15 -0.04 0.00 -1.58 0.00 0.00 32.23 30.89 2c0s h LYS 30 CO -0.00 -0.43 0.47 0.28 -1.08 0.00 0.00 179.45 178.68 2c0s h VAL 31 N -0.67 1.15 -0.51 0.50 2.07 -1.74 0.13 116.25 117.19 2c0s h VAL 31 Ca 0.02 -0.32 -0.08 0.00 0.82 0.00 0.00 66.70 67.14 2c0s h VAL 31 Cb 0.71 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 2c0s h VAL 31 CO -0.32 0.17 0.01 0.40 0.02 0.00 0.00 177.57 177.85 2c0s h ILE 32 N 0.94 1.26 -0.38 4.57 2.04 -1.09 -0.05 117.51 124.80 2c0s h ILE 32 Ca 0.27 -1.07 -0.07 0.00 1.00 0.00 0.00 64.86 64.99 2c0s h ILE 32 Cb -0.06 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 2c0s h ILE 32 CO -0.08 0.38 -0.06 -1.28 0.00 0.00 0.00 178.15 177.11 2c0s h SER 33 N 0.76 0.70 0.00 1.72 0.87 0.29 -1.15 113.55 116.74 2c0s h SER 33 Ca 0.15 -0.34 -0.07 0.00 -1.23 0.00 0.00 61.79 60.29 2c0s h SER 33 Cb 0.50 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 2c0s h SER 33 CO 0.02 0.88 -0.20 -0.26 -0.53 0.00 0.00 176.83 176.74 2c0s h PHE 34 N 0.51 0.39 -0.31 2.24 0.04 -0.60 -0.13 116.94 119.08 2c0s h PHE 34 Ca 0.10 -0.07 -0.07 0.00 2.80 0.00 0.00 57.97 60.73 2c0s h PHE 34 Cb 0.55 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.59 2c0s h PHE 34 CO 0.05 0.54 -0.08 1.03 -0.60 0.00 0.00 178.31 179.25 2c0s h SER 35 N 0.33 0.62 -0.02 2.17 0.87 -0.71 0.24 113.55 117.04 2c0s h SER 35 Ca 0.06 -0.37 -0.07 0.00 -1.23 0.00 0.00 61.79 60.18 2c0s h SER 35 Cb 0.54 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 2c0s h SER 35 CO 0.04 0.84 -0.16 1.56 -0.53 0.00 0.00 176.83 178.58 2c0s h GLN 36 N 0.38 0.35 -0.19 2.24 4.20 -0.86 0.16 115.11 121.39 2c0s h GLN 36 Ca 0.08 -0.10 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 2c0s h GLN 36 Cb 0.58 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.31 2c0s h GLN 36 CO 0.03 0.51 -0.16 1.49 -0.67 0.00 0.00 178.83 180.03 2c0s h GLU 37 N 0.32 0.45 -0.69 1.46 4.57 -0.78 -2.68 114.58 117.23 2c0s h GLU 37 Ca 0.06 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.00 2c0s h GLU 37 Cb 0.48 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.04 2c0s h GLU 37 CO 0.03 0.78 0.38 1.25 -1.18 0.00 0.00 179.01 180.27 2c0s h LEU 38 N 0.12 0.85 -0.67 1.64 7.12 0.02 -0.55 115.31 123.85 2c0s h LEU 38 Ca 0.03 -0.07 0.06 0.00 0.13 0.00 0.00 57.88 58.04 2c0s h LEU 38 Cb 0.69 -0.22 -0.06 0.00 -0.53 0.00 0.00 40.66 40.55 2c0s h LEU 38 CO 0.04 0.68 0.37 0.44 -0.13 0.00 0.00 178.44 179.84 2c0s h ASP 39 N 0.96 0.54 -0.06 1.25 3.32 -0.56 0.27 116.42 122.14 2c0s h ASP 39 Ca 0.24 0.03 -0.16 0.00 0.02 0.00 0.00 57.03 57.17 2c0s h ASP 39 Cb 0.02 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 2c0s h ASP 39 CO -0.04 0.35 -0.51 -0.09 -1.72 0.00 0.00 179.24 177.23 2c0s h ARG 40 N 0.67 0.63 -0.76 3.56 9.65 -0.93 -1.75 114.38 125.45 2c0s h ARG 40 Ca 0.30 -0.37 -0.03 0.00 -1.10 0.00 0.00 59.98 58.77 2c0s h ARG 40 Cb 0.20 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.77 2c0s h ARG 40 CO -0.19 0.98 0.35 -0.07 2.80 0.00 0.00 179.97 183.85 2c0s h LEU 41 N 0.49 1.02 -1.56 3.80 4.07 -0.45 -1.75 115.31 120.93 2c0s h LEU 41 Ca 0.02 -0.15 -0.04 0.00 0.08 0.00 0.00 57.88 57.79 2c0s h LEU 41 Cb 1.05 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 42.52 2c0s h LEU 41 CO 0.10 0.88 -0.18 0.25 -1.08 0.00 0.00 178.44 178.42 2c0s h LEU 42 N 1.09 0.06 -0.55 1.67 5.85 -0.31 -1.09 115.31 122.03 2c0s h LEU 42 Ca 0.26 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.97 2c0s h LEU 42 Cb 0.15 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2c0s h LEU 42 CO -0.03 0.24 0.00 0.78 -0.34 0.00 0.00 178.44 179.09 2c0s h ASN 43 N 0.06 0.00 0.02 1.25 2.35 -0.48 -3.17 115.58 115.60 2c0s h ASN 43 Ca 0.01 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 2c0s h ASN 43 Cb 0.35 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 2c0s h ASN 43 CO 0.02 0.00 -0.12 -0.07 -1.65 0.00 0.00 177.43 175.62 2c0s h LEU 44 N 0.00 0.20 -0.95 1.61 3.38 -0.47 0.11 115.31 119.20 2c0s h LEU 44 Ca 0.00 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2c0s h LEU 44 Cb 0.69 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 2c0s h LEU 44 CO 0.00 0.35 0.22 -0.07 0.09 0.00 0.00 178.44 179.03 2c0s h LEU 45 N 0.21 0.91 -0.39 1.67 4.07 -1.66 0.60 115.31 120.72 2c0s h LEU 45 Ca 0.04 -0.15 -0.14 0.00 0.08 0.00 0.00 57.88 57.71 2c0s h LEU 45 Cb 0.34 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.84 2c0s h LEU 45 CO 0.02 0.84 -0.31 0.40 -1.08 0.00 0.00 178.44 178.32 2c0s h ILE 46 N 0.96 1.28 -0.32 1.22 2.04 -1.30 -1.25 117.51 120.13 2c0s h ILE 46 Ca 0.22 -1.47 0.02 0.00 1.00 0.00 0.00 64.86 64.62 2c0s h ILE 46 Cb 0.25 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 2c0s h ILE 46 CO -0.01 0.49 0.17 -0.33 0.00 0.00 0.00 178.15 178.47 2c0s h GLU 47 N 0.72 0.35 -0.53 2.37 4.39 -0.30 -0.14 114.58 121.43 2c0s h GLU 47 Ca 0.07 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 2c0s h GLU 47 Cb 0.89 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.44 2c0s h GLU 47 CO 0.08 0.23 0.29 -0.07 -1.16 0.00 0.00 179.01 178.38 2c0s h LEU 48 N 0.36 0.64 -1.05 1.33 -0.00 -0.70 0.18 115.31 116.07 2c0s h LEU 48 Ca 0.13 -0.04 -0.09 0.00 -0.00 0.00 0.00 57.88 57.88 2c0s h LEU 48 Cb 0.02 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 40.51 2c0s h LEU 48 CO -0.08 0.52 -0.28 0.11 -0.00 0.00 0.00 178.44 178.71 2c0s h LYS 49 N 0.73 0.33 -0.04 1.13 1.57 -0.54 0.24 116.57 119.99 2c0s h LYS 49 Ca 0.19 -0.12 -0.17 0.00 -1.87 0.00 0.00 60.65 58.68 2c0s h LYS 49 Cb 0.02 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.32 2c0s h LYS 49 CO -0.03 0.59 -0.63 1.15 -0.57 0.00 0.00 179.45 179.96 2c0s h THR 50 N 0.29 1.39 0.13 -0.16 2.02 0.12 -3.27 112.91 113.44 2c0s h THR 50 Ca 0.04 -2.02 -0.01 0.00 0.77 0.00 0.00 66.41 65.20 2c0s h THR 50 Cb 0.65 2.43 0.00 0.00 -1.74 0.00 0.00 68.15 69.50 2c0s h THR 50 CO 0.05 0.60 -0.06 0.11 0.37 0.00 0.00 175.52 176.58 2c0s h LYS 51 N 0.04 -0.17 -6.62 6.66 6.56 -0.58 -3.46 116.57 119.00 2c0s h LYS 51 Ca -0.07 0.01 -0.47 0.00 -1.06 0.00 0.00 60.65 59.06 2c0s h LYS 51 Cb 1.31 0.04 -0.28 0.00 -0.57 0.00 0.00 32.23 32.73 2c0s h LYS 51 CO 0.13 0.06 -0.69 0.36 -2.06 0.00 0.00 179.45 177.24 2c0s n LYS 52 N -5.07 -1.44 0.00 3.15 2.85 0.82 -4.84 118.16 113.62 2c0s n LYS 52 Ca -0.09 0.13 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 2c0s n LYS 52 Cb 0.17 -4.71 0.00 0.00 -0.65 0.00 0.00 35.03 29.84 2c0s n LYS 52 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 2c0s n LYS 53 N -3.71 0.00 -3.44 -1.58 -0.00 -1.26 -4.98 118.16 103.18 2c0s n LYS 53 Ca 0.09 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.15 2c0s n LYS 53 Cb 0.47 -0.30 -0.11 0.00 -0.00 0.00 0.00 35.03 35.08 2c0s n LYS 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2c0s s ARG 54 N -0.68 0.44 0.04 -1.58 0.52 -1.26 -4.79 118.95 111.64 2c0s s ARG 54 Ca 0.00 -0.83 0.00 0.00 -0.52 0.00 0.00 55.73 54.38 2c0s s ARG 54 Cb 0.00 -1.02 0.00 0.00 0.52 0.00 0.00 34.95 34.45 2c0s s ARG 54 CO 0.00 -1.13 0.00 2.48 0.02 0.00 0.00 175.30 176.67 2c0s n TYR 55 N 4.59 -0.31 -2.07 -0.53 4.11 -1.26 -4.81 117.16 116.88 2c0s n TYR 55 Ca 0.05 0.06 -0.03 0.00 -0.00 0.00 0.00 57.90 57.98 2c0s n TYR 55 Cb 0.42 0.42 -0.03 0.00 -0.00 0.00 0.00 39.34 40.14 2c0s n TYR 55 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 2c0s n SER 56 N -2.72 -0.38 -1.21 9.48 2.88 -1.26 -4.46 113.62 115.95 2c0s n SER 56 Ca 0.00 -1.72 0.08 0.00 -1.33 0.00 0.00 58.87 55.90 2c0s n SER 56 Cb 0.08 0.10 0.29 0.00 -0.75 0.00 0.00 64.21 63.93 2c0s n SER 56 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2c0s n LEU 57 N 0.07 4.29 0.13 2.46 4.77 -1.26 -4.23 117.00 123.22 2c0s n LEU 57 Ca -0.14 -2.68 0.11 0.00 -0.03 0.00 0.00 56.01 53.27 2c0s n LEU 57 Cb 0.70 -0.52 0.03 0.00 -2.33 0.00 0.00 43.42 41.30 2c0s n LEU 57 CO -0.08 0.71 0.20 -0.07 -1.33 0.00 0.00 177.39 176.83 2c0s h LEU 58 N 2.83 0.00 -7.80 2.23 -0.00 -1.90 -3.41 115.31 107.25 2c0s h LEU 58 Ca 0.00 0.00 -0.67 0.00 -0.00 0.00 0.00 57.88 57.21 2c0s h LEU 58 Cb 1.42 0.00 -0.37 0.00 -0.00 0.00 0.00 40.66 41.71 2c0s h LEU 58 CO 0.23 0.05 -0.68 -1.61 -0.00 0.00 0.00 178.44 176.44 2c0s s GLU 59 N -3.29 1.86 0.10 1.13 2.02 -1.26 -5.08 118.70 114.18 2c0s s GLU 59 Ca 0.01 -1.71 0.04 0.00 0.02 0.00 0.00 54.97 53.33 2c0s s GLU 59 Cb 0.08 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 31.00 2c0s s GLU 59 CO 0.76 -0.89 -0.10 -1.01 0.02 0.00 0.00 175.26 174.04 2c0s s HIS 60 N 1.05 1.08 -0.58 1.61 3.76 -1.26 -4.99 115.29 115.96 2c0s s HIS 60 Ca 0.05 -0.66 0.23 0.00 -0.15 0.00 0.00 55.06 54.53 2c0s s HIS 60 Cb -0.20 -0.59 0.09 0.00 1.11 0.00 0.00 32.58 32.98 2c0s s HIS 60 CO -0.06 0.01 1.06 -2.39 -0.85 0.00 0.00 174.74 172.51 2c0s n HIS 61 N 0.50 0.35 -2.42 1.40 1.44 -1.26 -4.68 115.22 110.55 2c0s n HIS 61 Ca -0.16 0.10 -0.40 0.00 -2.01 0.00 0.00 57.72 55.25 2c0s n HIS 61 Cb 0.58 -0.51 -0.03 0.00 0.12 0.00 0.00 29.99 30.15 2c0s n HIS 61 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2c0s s HIS 62 N -3.21 2.12 -0.49 -1.40 5.65 -1.26 -4.96 115.29 111.74 2c0s s HIS 62 Ca 0.04 0.16 -0.29 0.00 0.25 0.00 0.00 55.06 55.22 2c0s s HIS 62 Cb 0.14 -4.49 0.02 0.00 -1.18 0.00 0.00 32.58 27.07 2c0s s HIS 62 CO 0.79 -2.14 1.24 -1.01 -0.65 0.00 0.00 174.74 172.97 2c0s s HIS 63 N 6.59 2.63 0.00 3.88 0.09 -1.26 -5.11 115.29 122.11 2c0s s HIS 63 Ca 0.43 0.62 0.00 0.00 -0.00 0.00 0.00 55.06 56.11 2c0s s HIS 63 Cb -0.09 -4.43 0.00 0.00 -0.00 0.00 0.00 32.58 28.06 2c0s s HIS 63 CO 0.16 -1.56 0.00 1.58 -0.00 0.00 0.00 174.74 174.92