#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 6.10 0.47 7.83 -0.87 -1.26 -4.78 114.94 122.43 2c0s s ASN 2 Ca 0.00 -1.50 0.32 0.00 -1.57 0.00 0.00 52.86 50.11 2c0s s ASN 2 Cb 0.00 -2.57 1.46 0.00 -0.02 0.00 0.00 41.25 40.12 2c0s s ASN 2 CO 0.00 -1.89 1.95 -0.37 -2.57 0.00 0.00 177.10 174.22 2c0s h VAL 3 N 6.58 0.00 0.00 1.60 -1.51 -2.01 -1.35 116.25 119.56 2c0s h VAL 3 Ca 0.23 -0.27 -0.02 0.00 -1.23 0.00 0.00 66.70 65.41 2c0s h VAL 3 Cb 0.97 1.13 -0.00 0.00 -2.13 0.00 0.00 31.29 31.26 2c0s h VAL 3 CO 1.36 0.00 -0.09 0.00 -1.23 0.00 0.00 177.57 177.61 2c0s h THR 4 N 0.00 0.79 0.00 7.19 1.03 -2.00 -1.41 112.91 118.52 2c0s h THR 4 Ca 0.00 -0.36 -0.15 0.00 -0.01 0.00 0.00 66.41 65.89 2c0s h THR 4 Cb 0.31 1.21 -0.02 0.00 -1.07 0.00 0.00 68.15 68.58 2c0s h THR 4 CO 0.00 0.09 -0.69 0.11 -0.01 0.00 0.00 175.52 175.02 2c0s h LYS 5 N 0.00 0.00 -0.35 0.00 1.57 -1.64 -0.57 116.57 115.57 2c0s h LYS 5 Ca -0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 2c0s h LYS 5 Cb 0.20 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 2c0s h LYS 5 CO 0.01 0.69 -0.41 1.25 -0.57 0.00 0.00 179.45 180.42 2c0s h LEU 6 N 0.00 0.98 -0.91 2.94 7.12 -1.38 -0.73 115.31 123.32 2c0s h LEU 6 Ca -0.01 -0.48 0.00 0.00 0.13 0.00 0.00 57.88 57.52 2c0s h LEU 6 Cb 1.32 -0.28 -0.04 0.00 -0.53 0.00 0.00 40.66 41.13 2c0s h LEU 6 CO 0.09 1.26 0.57 -1.13 -0.13 0.00 0.00 178.44 179.10 2c0s h ASN 7 N 0.71 1.07 -0.87 1.25 -0.73 -1.05 -0.66 115.58 115.30 2c0s h ASN 7 Ca 0.05 -0.05 -0.02 0.00 1.87 0.00 0.00 56.30 58.15 2c0s h ASN 7 Cb 1.01 -0.27 -0.04 0.00 0.27 0.00 0.00 38.32 39.29 2c0s h ASN 7 CO 0.10 0.80 0.48 -0.78 -0.37 0.00 0.00 177.43 177.67 2c0s h ASP 8 N 1.24 1.08 -0.83 1.15 3.58 -0.81 -0.77 116.42 121.07 2c0s h ASP 8 Ca 0.33 -0.10 -0.04 0.00 0.42 0.00 0.00 57.03 57.65 2c0s h ASP 8 Cb -0.09 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 40.64 2c0s h ASP 8 CO -0.07 0.87 0.38 0.03 -2.88 0.00 0.00 179.24 177.57 2c0s h ARG 9 N 1.21 1.21 -0.33 0.28 3.08 -0.32 -0.87 114.38 118.65 2c0s h ARG 9 Ca 0.31 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 2c0s h ARG 9 Cb 0.02 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 2c0s h ARG 9 CO -0.05 0.94 0.20 0.82 -1.07 0.00 0.00 179.97 180.81 2c0s h ILE 10 N 1.18 1.11 -0.62 2.04 2.04 -0.46 -0.70 117.51 122.10 2c0s h ILE 10 Ca 0.28 -0.24 0.07 0.00 1.00 0.00 0.00 64.86 65.96 2c0s h ILE 10 Cb 0.15 0.68 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 2c0s h ILE 10 CO -0.03 0.11 0.31 -0.33 0.00 0.00 0.00 178.15 178.21 2c0s h GLU 11 N 0.42 0.55 -0.61 2.37 4.39 -0.71 0.17 114.58 121.17 2c0s h GLU 11 Ca 0.12 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.74 2c0s h GLU 11 Cb -0.00 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.50 2c0s h GLU 11 CO -0.02 0.37 0.20 0.00 -1.16 0.00 0.00 179.01 178.39 2c0s h ALA 12 N 1.36 1.20 -0.13 3.43 0.00 -0.78 -0.65 119.26 123.69 2c0s h ALA 12 Ca 0.29 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 2c0s h ALA 12 Cb 0.24 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2c0s h ALA 12 CO -0.21 0.56 -0.67 -0.22 0.00 0.00 0.00 179.25 178.71 2c0s h LYS 13 N 0.89 0.53 -0.17 0.00 1.63 -0.16 -1.44 116.57 117.85 2c0s h LYS 13 Ca 0.20 -0.39 -0.01 0.00 -0.85 0.00 0.00 60.65 59.60 2c0s h LYS 13 Cb 0.25 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.94 2c0s h LYS 13 CO -0.01 1.02 0.08 0.87 -3.45 0.00 0.00 179.45 177.96 2c0s h LYS 14 N 0.38 0.25 -0.99 1.90 1.57 -0.20 0.31 116.57 119.78 2c0s h LYS 14 Ca -0.02 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2c0s h LYS 14 Cb 1.24 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 33.45 2c0s h LYS 14 CO 0.12 0.28 0.66 0.87 -0.57 0.00 0.00 179.45 180.81 2c0s h LYS 15 N 0.15 1.26 0.04 3.15 1.57 -1.04 -1.19 116.57 120.52 2c0s h LYS 15 Ca 0.06 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2c0s h LYS 15 Cb 0.11 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.14 2c0s h LYS 15 CO -0.01 0.83 -0.02 1.49 -0.57 0.00 0.00 179.45 181.18 2c0s h GLU 16 N 1.30 -0.05 -0.88 3.15 4.81 -0.92 -2.89 114.58 119.09 2c0s h GLU 16 Ca 0.38 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.63 2c0s h GLU 16 Cb -0.07 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.28 2c0s h GLU 16 CO -0.10 0.27 0.58 1.25 -0.73 0.00 0.00 179.01 180.27 2c0s h LEU 17 N -0.38 0.99 -0.75 1.64 5.85 -0.04 0.10 115.31 122.72 2c0s h LEU 17 Ca -0.01 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.76 2c0s h LEU 17 Cb 0.35 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 2c0s h LEU 17 CO 0.01 0.70 0.43 0.40 -0.34 0.00 0.00 178.44 179.65 2c0s h ILE 18 N 1.16 0.98 -0.50 4.05 2.04 -1.24 0.15 117.51 124.16 2c0s h ILE 18 Ca 0.33 -0.27 -0.11 0.00 1.00 0.00 0.00 64.86 65.82 2c0s h ILE 18 Cb -0.09 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.10 2c0s h ILE 18 CO -0.09 0.14 -0.10 0.22 0.00 0.00 0.00 178.15 178.32 2c0s h TYR 19 N 0.79 1.07 -0.48 1.37 3.20 -1.03 -2.54 116.97 119.35 2c0s h TYR 19 Ca 0.34 -0.22 -0.08 0.00 3.14 0.00 0.00 58.73 61.90 2c0s h TYR 19 Cb 0.21 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 2c0s h TYR 19 CO -0.06 1.02 -0.03 -0.07 -1.64 0.00 0.00 178.16 177.38 2c0s h LEU 20 N 0.82 0.80 -0.92 2.82 3.38 0.06 -0.55 115.31 121.71 2c0s h LEU 20 Ca 0.13 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 2c0s h LEU 20 Cb 0.66 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2c0s h LEU 20 CO 0.05 0.88 0.15 0.58 0.09 0.00 0.00 178.44 180.18 2c0s h VAL 21 N 0.76 1.24 -0.55 1.22 2.07 -0.62 0.29 116.25 120.66 2c0s h VAL 21 Ca 0.14 -0.87 -0.11 0.00 0.82 0.00 0.00 66.70 66.68 2c0s h VAL 21 Cb 0.50 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 2c0s h VAL 21 CO 0.03 0.33 -0.08 -0.33 0.02 0.00 0.00 177.57 177.54 2c0s h GLU 22 N 0.90 1.02 0.06 1.57 4.39 -0.96 -1.24 114.58 120.32 2c0s h GLU 22 Ca 0.19 -0.37 -0.12 0.00 0.34 0.00 0.00 59.36 59.40 2c0s h GLU 22 Cb 0.32 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2c0s h GLU 22 CO -0.00 1.05 -0.60 0.87 -1.16 0.00 0.00 179.01 179.17 2c0s h LYS 23 N 0.90 0.12 0.04 2.33 1.79 -0.75 -3.41 116.57 117.59 2c0s h LYS 23 Ca 0.15 -0.20 -0.38 0.00 -2.18 0.00 0.00 60.65 58.04 2c0s h LYS 23 Cb 0.65 0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 31.32 2c0s h LYS 23 CO 0.04 1.10 -2.29 0.66 -1.08 0.00 0.00 179.45 177.88 2c0s n TYR 24 N -4.35 0.45 0.00 -1.35 4.02 0.98 -5.09 117.16 111.82 2c0s n TYR 24 Ca -0.16 0.10 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 2c0s n TYR 24 Cb 0.66 -1.06 0.00 0.00 -0.02 0.00 0.00 39.34 38.92 2c0s n TYR 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2c0s n GLY 25 N 2.12 0.51 0.03 2.72 0.00 -0.47 -4.76 105.19 105.34 2c0s n GLY 25 Ca -0.40 -2.16 -0.02 0.00 0.00 0.00 0.00 46.02 43.44 2c0s n GLY 25 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2c0s n PHE 26 N 3.29 0.00 1.50 1.61 -1.74 -1.26 -4.12 117.46 116.73 2c0s n PHE 26 Ca 0.00 0.00 0.14 0.00 -0.56 0.00 0.00 57.45 57.03 2c0s n PHE 26 Cb 0.00 -0.31 0.52 0.00 1.52 0.00 0.00 39.48 41.21 2c0s n PHE 26 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 2c0s n THR 27 N -2.18 0.00 -2.03 1.97 -2.24 -1.26 -4.52 114.28 104.02 2c0s n THR 27 Ca -0.10 -0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 61.02 2c0s n THR 27 Cb 0.64 0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 69.34 2c0s n THR 27 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2c0s s HIS 28 N -2.01 2.79 0.27 4.78 5.04 -1.26 -4.92 115.29 119.99 2c0s s HIS 28 Ca 0.38 0.60 -0.03 0.00 -1.54 0.00 0.00 55.06 54.47 2c0s s HIS 28 Cb 0.21 -3.84 0.40 0.00 0.04 0.00 0.00 32.58 29.38 2c0s s HIS 28 CO 0.34 -3.22 1.91 0.45 -2.34 0.00 0.00 174.74 171.88 2c0s h HIS 29 N 7.63 1.17 -0.32 3.88 3.86 -1.97 -0.95 115.15 128.45 2c0s h HIS 29 Ca -0.42 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 58.75 2c0s h HIS 29 Cb 1.20 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 29.26 2c0s h HIS 29 CO 0.72 0.66 -0.12 0.87 0.86 0.00 0.00 177.93 180.92 2c0s h LYS 30 N 1.20 0.55 -0.61 2.45 1.79 -1.98 0.13 116.57 120.11 2c0s h LYS 30 Ca 0.39 -0.16 -0.10 0.00 -2.18 0.00 0.00 60.65 58.60 2c0s h LYS 30 Cb 0.05 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.62 2c0s h LYS 30 CO -0.13 0.66 -0.01 0.28 -1.08 0.00 0.00 179.45 179.18 2c0s h VAL 31 N 0.51 1.27 -0.53 0.50 2.07 -1.54 0.15 116.25 118.67 2c0s h VAL 31 Ca 0.09 -1.16 -0.06 0.00 0.82 0.00 0.00 66.70 66.38 2c0s h VAL 31 Cb 0.51 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 2c0s h VAL 31 CO 0.03 0.42 0.08 0.40 0.02 0.00 0.00 177.57 178.52 2c0s h ILE 32 N 0.98 1.24 -0.40 4.57 2.04 -0.95 0.48 117.51 125.46 2c0s h ILE 32 Ca 0.17 -0.91 -0.08 0.00 1.00 0.00 0.00 64.86 65.04 2c0s h ILE 32 Cb 0.57 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 2c0s h ILE 32 CO 0.03 0.33 -0.09 -1.28 0.00 0.00 0.00 178.15 177.14 2c0s h SER 33 N 0.79 0.68 0.60 1.72 0.87 -0.07 0.07 113.55 118.22 2c0s h SER 33 Ca 0.17 -0.19 -0.14 0.00 -1.23 0.00 0.00 61.79 60.40 2c0s h SER 33 Cb 0.37 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 2c0s h SER 33 CO 0.01 0.81 -0.64 -0.26 -0.53 0.00 0.00 176.83 176.22 2c0s h PHE 34 N 0.64 0.05 -0.47 2.24 0.04 -0.06 -1.32 116.94 118.06 2c0s h PHE 34 Ca 0.11 -0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.77 2c0s h PHE 34 Cb 0.53 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.66 2c0s h PHE 34 CO 0.02 0.67 -0.11 0.77 -0.60 0.00 0.00 178.31 179.06 2c0s h SER 35 N 0.03 0.85 -0.64 2.17 0.02 -0.29 -0.57 113.55 115.11 2c0s h SER 35 Ca -0.01 -0.26 -0.04 0.00 -0.84 0.00 0.00 61.79 60.64 2c0s h SER 35 Cb 1.13 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.42 2c0s h SER 35 CO 0.09 0.97 0.25 1.56 -1.14 0.00 0.00 176.83 178.56 2c0s h GLN 36 N 0.77 1.00 -0.61 3.45 4.20 -0.57 -1.63 115.11 121.72 2c0s h GLN 36 Ca 0.13 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 2c0s h GLN 36 Cb 0.61 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 2c0s h GLN 36 CO 0.04 0.83 0.16 0.93 -0.67 0.00 0.00 178.83 180.12 2c0s h GLU 37 N 0.98 0.97 0.12 1.46 4.39 -0.74 0.11 114.58 121.88 2c0s h GLU 37 Ca 0.22 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2c0s h GLU 37 Cb 0.22 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2c0s h GLU 37 CO -0.02 0.89 -0.08 1.25 -1.16 0.00 0.00 179.01 179.89 2c0s h LEU 38 N 0.89 -0.20 -0.98 1.33 6.46 -0.68 0.14 115.31 122.26 2c0s h LEU 38 Ca 0.19 0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.98 2c0s h LEU 38 Cb 0.34 0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.29 2c0s h LEU 38 CO 0.00 -0.13 0.65 -0.78 -0.62 0.00 0.00 178.44 177.56 2c0s h ASP 39 N -0.20 1.13 -0.60 1.25 3.58 -1.19 -0.67 116.42 119.71 2c0s h ASP 39 Ca -0.01 -0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.36 2c0s h ASP 39 Cb 0.17 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 40.92 2c0s h ASP 39 CO 0.01 0.81 0.18 -0.09 -2.88 0.00 0.00 179.24 177.27 2c0s h ARG 40 N 1.33 0.94 -0.46 0.28 2.43 -0.33 0.34 114.38 118.91 2c0s h ARG 40 Ca 0.36 -0.21 -0.08 0.00 -0.81 0.00 0.00 59.98 59.25 2c0s h ARG 40 Cb -0.14 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.26 2c0s h ARG 40 CO -0.08 0.84 -0.01 -0.07 -1.51 0.00 0.00 179.97 179.14 2c0s h LEU 41 N 0.86 0.82 -0.71 3.80 3.38 -0.23 -2.36 115.31 120.86 2c0s h LEU 41 Ca 0.19 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2c0s h LEU 41 Cb 0.30 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2c0s h LEU 41 CO -0.00 0.93 0.43 0.25 0.09 0.00 0.00 178.44 180.13 2c0s h LEU 42 N 0.68 0.86 -1.38 1.67 5.85 -0.85 -2.07 115.31 120.06 2c0s h LEU 42 Ca 0.13 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2c0s h LEU 42 Cb 0.52 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.33 2c0s h LEU 42 CO 0.03 0.67 0.00 0.78 -0.34 0.00 0.00 178.44 179.58 2c0s h ASN 43 N 0.97 0.00 -0.61 1.25 2.35 -0.72 -1.87 115.58 116.95 2c0s h ASN 43 Ca 0.25 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.93 2c0s h ASN 43 Cb -0.03 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 2c0s h ASN 43 CO -0.05 0.00 0.12 -0.07 -1.65 0.00 0.00 177.43 175.78 2c0s h LEU 44 N 0.00 0.97 -0.19 1.61 3.38 -0.84 0.20 115.31 120.45 2c0s h LEU 44 Ca 0.00 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2c0s h LEU 44 Cb 0.38 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2c0s h LEU 44 CO 0.00 0.96 0.08 -0.07 0.09 0.00 0.00 178.44 179.50 2c0s h LEU 45 N 0.97 0.25 -0.37 1.67 3.38 -1.39 -1.24 115.31 118.59 2c0s h LEU 45 Ca 0.20 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.04 2c0s h LEU 45 Cb 0.40 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2c0s h LEU 45 CO 0.01 0.33 0.20 0.40 0.09 0.00 0.00 178.44 179.47 2c0s h ILE 46 N 0.16 1.01 0.41 1.22 5.03 -1.40 -0.96 117.51 122.99 2c0s h ILE 46 Ca 0.06 -0.14 -0.02 0.00 -0.12 0.00 0.00 64.86 64.64 2c0s h ILE 46 Cb 0.15 0.57 0.00 0.00 -3.03 0.00 0.00 36.82 34.51 2c0s h ILE 46 CO -0.01 0.07 -0.20 -0.33 -0.68 0.00 0.00 178.15 177.01 2c0s h GLU 47 N 0.41 -0.53 -0.25 2.37 5.08 -0.43 0.51 114.58 121.74 2c0s h GLU 47 Ca 0.15 0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.51 2c0s h GLU 47 Cb 0.03 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2c0s h GLU 47 CO -0.08 -0.33 -0.01 -0.07 -1.00 0.00 0.00 179.01 177.51 2c0s h LEU 48 N -0.58 0.34 -0.01 1.33 -0.00 -1.13 0.44 115.31 115.70 2c0s h LEU 48 Ca -0.06 -0.05 -0.00 0.00 -0.00 0.00 0.00 57.88 57.77 2c0s h LEU 48 Cb 0.44 -0.09 -0.00 0.00 -0.00 0.00 0.00 40.66 41.01 2c0s h LEU 48 CO 0.09 0.41 -0.00 0.50 -0.00 0.00 0.00 178.44 179.44 2c0s h LYS 49 N 0.36 0.03 0.04 1.13 3.64 -1.02 -1.07 116.57 119.68 2c0s h LYS 49 Ca 0.08 -0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 59.23 2c0s h LYS 49 Cb 0.26 -0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.10 2c0s h LYS 49 CO 0.01 0.38 -0.88 1.15 -2.27 0.00 0.00 179.45 177.84 2c0s h THR 50 N -0.32 1.37 -0.13 1.00 2.02 -0.39 -3.31 112.91 113.15 2c0s h THR 50 Ca 0.00 -2.26 -0.10 0.00 0.77 0.00 0.00 66.41 64.83 2c0s h THR 50 Cb 0.37 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.42 2c0s h THR 50 CO 0.00 0.67 -0.29 0.11 0.37 0.00 0.00 175.52 176.38 2c0s h LYS 51 N 0.07 0.42 -5.30 6.66 1.57 -0.26 -3.46 116.57 116.26 2c0s h LYS 51 Ca -0.12 -0.28 -0.16 0.00 -1.87 0.00 0.00 60.65 58.22 2c0s h LYS 51 Cb 1.58 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 33.86 2c0s h LYS 51 CO 0.17 0.89 -0.23 0.36 -0.57 0.00 0.00 179.45 180.08 2c0s n LYS 52 N -4.41 -2.56 0.00 3.15 2.85 -0.41 -4.77 118.16 112.01 2c0s n LYS 52 Ca -0.07 0.11 0.10 0.00 -1.05 0.00 0.00 58.31 57.40 2c0s n LYS 52 Cb 0.47 -4.65 -0.08 0.00 -0.65 0.00 0.00 35.03 30.12 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 -2.88 0.67 -3.22 -1.58 2.85 -1.26 -4.71 118.16 108.02 2c0s n LYS 53 Ca 0.01 -0.31 -0.32 0.00 -1.05 0.00 0.00 58.31 56.64 2c0s n LYS 53 Cb 0.50 -1.44 -0.06 0.00 -0.65 0.00 0.00 35.03 33.38 2c0s n LYS 53 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2c0s s ARG 54 N -2.73 3.91 0.62 -1.58 0.52 -1.26 -4.95 118.95 113.48 2c0s s ARG 54 Ca 0.11 0.50 0.29 0.00 -0.52 0.00 0.00 55.73 56.11 2c0s s ARG 54 Cb 0.16 -2.51 1.55 0.00 0.52 0.00 0.00 34.95 34.67 2c0s s ARG 54 CO 0.73 0.20 1.92 1.88 0.02 0.00 0.00 175.30 180.05 2c0s h TYR 55 N 2.28 0.00 0.00 -0.53 0.05 -1.93 -0.10 116.97 116.74 2c0s h TYR 55 Ca -0.47 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.30 2c0s h TYR 55 Cb 1.17 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.91 2c0s h TYR 55 CO 0.61 0.00 -0.05 0.77 -1.05 0.00 0.00 178.16 178.45 2c0s h SER 56 N 0.00 0.00 -0.02 3.88 0.02 -1.93 0.68 113.55 116.18 2c0s h SER 56 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2c0s h SER 56 Cb 0.89 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.43 2c0s h SER 56 CO -0.00 0.05 -0.11 0.18 -1.14 0.00 0.00 176.83 175.81 2c0s n LEU 57 N -3.74 2.66 -0.02 5.07 7.99 -0.05 -4.55 117.00 124.36 2c0s n LEU 57 Ca -0.03 -0.90 -0.05 0.00 -0.01 0.00 0.00 56.01 55.02 2c0s n LEU 57 Cb 0.14 -0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.43 2c0s n LEU 57 CO 0.28 0.45 -0.38 0.18 -1.51 0.00 0.00 177.39 176.41 2c0s n LEU 58 N 0.94 1.36 0.00 2.23 4.32 -0.55 -5.02 117.00 120.28 2c0s n LEU 58 Ca 0.13 0.21 0.00 0.00 -0.02 0.00 0.00 56.01 56.33 2c0s n LEU 58 Cb 0.55 -0.48 0.00 0.00 -1.62 0.00 0.00 43.42 41.87 2c0s n LEU 58 CO 0.18 -0.43 0.00 -0.62 -1.22 0.00 0.00 177.39 175.31 2c0s n GLU 59 N -3.84 0.28 -3.52 3.23 1.02 0.12 -5.10 120.64 112.84 2c0s n GLU 59 Ca -0.09 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.64 2c0s n GLU 59 Cb 0.29 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.63 2c0s n GLU 59 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2c0s s HIS 60 N -0.76 3.34 -0.65 -0.32 3.76 -1.26 -4.34 115.29 115.07 2c0s s HIS 60 Ca 0.00 -1.54 -0.27 0.00 -0.15 0.00 0.00 55.06 53.11 2c0s s HIS 60 Cb 0.00 -3.30 0.04 0.00 1.11 0.00 0.00 32.58 30.43 2c0s s HIS 60 CO 0.00 -0.92 1.17 -3.38 -0.85 0.00 0.00 174.74 170.76 2c0s s HIS 61 N 1.46 2.51 -0.42 1.40 -3.43 -1.26 -4.90 115.29 110.64 2c0s s HIS 61 Ca 0.04 0.07 -0.34 0.00 -0.80 0.00 0.00 55.06 54.03 2c0s s HIS 61 Cb -0.25 -4.48 -0.12 0.00 -1.43 0.00 0.00 32.58 26.30 2c0s s HIS 61 CO 0.02 -1.76 2.25 0.72 -2.00 0.00 0.00 174.74 173.97 2c0s n HIS 62 N 8.61 1.49 -3.95 0.38 8.25 -1.26 -4.91 115.22 123.84 2c0s n HIS 62 Ca 0.04 0.28 -0.09 0.00 -0.26 0.00 0.00 57.72 57.69 2c0s n HIS 62 Cb 0.48 -2.52 -0.09 0.00 1.12 0.00 0.00 29.99 28.98 2c0s n HIS 62 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2c0s s HIS 63 N 7.89 0.24 -2.65 4.41 5.04 -1.26 -5.22 115.29 123.73 2c0s s HIS 63 Ca 1.11 -0.57 0.27 0.00 -1.54 0.00 0.00 55.06 54.32 2c0s s HIS 63 Cb -0.84 -0.17 0.78 0.00 0.04 0.00 0.00 32.58 32.39 2c0s s HIS 63 CO 0.47 -0.36 1.60 0.72 -2.34 0.00 0.00 174.74 174.82