#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 1.73 0.61 7.83 -0.87 -1.26 -5.02 114.94 117.96 2c0s s ASN 2 Ca 0.00 -0.19 0.32 0.00 -1.57 0.00 0.00 52.86 51.42 2c0s s ASN 2 Cb 0.00 -0.38 1.84 0.00 -0.02 0.00 0.00 41.25 42.68 2c0s s ASN 2 CO 0.00 -0.23 2.18 -0.37 -2.57 0.00 0.00 177.10 176.10 2c0s h VAL 3 N 6.38 0.37 -0.08 1.60 -1.51 -2.06 -1.13 116.25 119.82 2c0s h VAL 3 Ca -0.17 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.26 2c0s h VAL 3 Cb 1.13 0.90 -0.01 0.00 -2.13 0.00 0.00 31.29 31.17 2c0s h VAL 3 CO 0.25 0.00 -0.11 0.00 -1.23 0.00 0.00 177.57 176.48 2c0s h THR 4 N 0.00 1.13 0.00 7.19 1.03 -2.00 -1.88 112.91 118.38 2c0s h THR 4 Ca 0.04 -0.56 -0.08 0.00 -0.01 0.00 0.00 66.41 65.80 2c0s h THR 4 Cb 0.28 1.18 -0.01 0.00 -1.07 0.00 0.00 68.15 68.54 2c0s h THR 4 CO -0.00 0.17 -0.39 0.07 -0.01 0.00 0.00 175.52 175.36 2c0s h LYS 5 N 0.12 0.00 -0.18 0.00 2.10 -1.63 0.11 116.57 117.09 2c0s h LYS 5 Ca 0.03 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.63 2c0s h LYS 5 Cb 0.27 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.59 2c0s h LYS 5 CO 0.02 0.39 -0.08 1.25 -2.00 0.00 0.00 179.45 179.02 2c0s h LEU 6 N 0.00 0.38 -0.80 7.07 5.85 -1.47 -1.52 115.31 124.83 2c0s h LEU 6 Ca -0.00 -0.41 -0.11 0.00 0.84 0.00 0.00 57.88 58.20 2c0s h LEU 6 Cb 0.82 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 2c0s h LEU 6 CO 0.05 0.70 -0.24 -1.13 -0.34 0.00 0.00 178.44 177.49 2c0s h ASN 7 N 0.05 0.65 -0.73 1.25 -1.24 -1.26 -2.71 115.58 111.58 2c0s h ASN 7 Ca 0.04 -0.23 0.09 0.00 0.71 0.00 0.00 56.30 56.91 2c0s h ASN 7 Cb 0.56 -0.18 -0.07 0.00 0.73 0.00 0.00 38.32 39.37 2c0s h ASN 7 CO 0.03 0.87 0.39 -0.78 -1.29 0.00 0.00 177.43 176.65 2c0s h ASP 8 N 0.56 0.54 0.57 1.15 1.82 -0.65 0.10 116.42 120.52 2c0s h ASP 8 Ca 0.08 0.05 -0.11 0.00 -0.39 0.00 0.00 57.03 56.66 2c0s h ASP 8 Cb 0.71 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.65 2c0s h ASP 8 CO 0.05 0.32 -0.52 0.08 -1.61 0.00 0.00 179.24 177.57 2c0s h ARG 9 N 0.68 0.00 -0.12 0.28 0.11 -0.97 -1.84 114.38 112.51 2c0s h ARG 9 Ca 0.35 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.38 2c0s h ARG 9 Cb 0.32 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.40 2c0s h ARG 9 CO -0.24 0.52 -0.14 0.82 0.10 0.00 0.00 179.97 181.03 2c0s h ILE 10 N 0.00 1.36 -0.90 0.08 2.04 -1.01 -0.44 117.51 118.64 2c0s h ILE 10 Ca -0.01 -1.32 0.01 0.00 1.00 0.00 0.00 64.86 64.55 2c0s h ILE 10 Cb 0.94 1.95 -0.05 0.00 -0.74 0.00 0.00 36.82 38.93 2c0s h ILE 10 CO 0.07 0.38 0.60 -0.08 0.00 0.00 0.00 178.15 179.12 2c0s h GLU 11 N -0.09 1.17 -0.08 2.37 4.81 -0.65 0.24 114.58 122.35 2c0s h GLU 11 Ca 0.02 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 59.02 2c0s h GLU 11 Cb 0.67 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 2c0s h GLU 11 CO 0.03 0.78 -0.64 0.00 -0.73 0.00 0.00 179.01 178.45 2c0s h ALA 12 N 1.44 0.76 0.06 2.92 0.00 -1.27 -2.20 119.26 120.97 2c0s h ALA 12 Ca 0.33 -0.56 -0.28 0.00 0.00 0.00 0.00 54.91 54.40 2c0s h ALA 12 Cb -0.12 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.62 2c0s h ALA 12 CO -0.08 0.74 -1.13 -0.22 0.00 0.00 0.00 179.25 178.56 2c0s h LYS 13 N 0.22 0.63 -0.08 0.00 1.63 0.02 -2.68 116.57 116.32 2c0s h LYS 13 Ca -0.01 -0.76 -0.12 0.00 -0.85 0.00 0.00 60.65 58.92 2c0s h LYS 13 Cb 1.17 0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 33.02 2c0s h LYS 13 CO 0.10 1.33 -0.48 1.57 -3.45 0.00 0.00 179.45 178.52 2c0s h LYS 14 N 0.32 0.19 -0.12 1.90 2.10 -0.59 -0.57 116.57 119.81 2c0s h LYS 14 Ca -0.15 -0.10 -0.14 0.00 -2.00 0.00 0.00 60.65 58.26 2c0s h LYS 14 Cb 1.80 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.12 2c0s h LYS 14 CO 0.22 0.63 -0.52 1.57 -2.00 0.00 0.00 179.45 179.35 2c0s h LYS 15 N 0.16 0.33 -0.59 0.07 2.10 -1.42 -1.55 116.57 115.66 2c0s h LYS 15 Ca 0.01 -0.20 -0.08 0.00 -2.00 0.00 0.00 60.65 58.38 2c0s h LYS 15 Cb 0.90 0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 32.23 2c0s h LYS 15 CO 0.07 0.77 0.05 1.49 -2.00 0.00 0.00 179.45 179.84 2c0s h GLU 16 N 0.26 1.00 0.24 0.07 4.81 -1.09 -1.98 114.58 117.88 2c0s h GLU 16 Ca 0.01 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 58.94 2c0s h GLU 16 Cb 1.01 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.28 2c0s h GLU 16 CO 0.09 0.96 -0.12 1.25 -0.73 0.00 0.00 179.01 180.46 2c0s h LEU 17 N 0.89 -0.28 -0.72 1.64 5.85 -0.84 -1.53 115.31 120.32 2c0s h LEU 17 Ca 0.17 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.99 2c0s h LEU 17 Cb 0.48 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.51 2c0s h LEU 17 CO 0.02 -0.20 0.37 0.40 -0.34 0.00 0.00 178.44 178.69 2c0s h ILE 18 N -0.32 0.86 -0.24 4.05 2.04 -1.17 0.41 117.51 123.14 2c0s h ILE 18 Ca -0.03 -0.22 0.03 0.00 1.00 0.00 0.00 64.86 65.65 2c0s h ILE 18 Cb 0.25 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 2c0s h ILE 18 CO 0.05 0.12 0.03 0.22 0.00 0.00 0.00 178.15 178.57 2c0s h TYR 19 N 0.63 0.05 -0.02 1.37 3.20 -1.15 -1.67 116.97 119.38 2c0s h TYR 19 Ca 0.35 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 62.10 2c0s h TYR 19 Cb 0.36 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 2c0s h TYR 19 CO -0.10 0.00 -0.65 -0.07 -1.64 0.00 0.00 178.16 175.70 2c0s h LEU 20 N 0.12 0.09 -0.65 2.82 3.38 -0.21 -2.92 115.31 117.94 2c0s h LEU 20 Ca 0.11 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.04 2c0s h LEU 20 Cb 0.12 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 2c0s h LEU 20 CO -0.16 0.72 0.41 0.58 0.09 0.00 0.00 178.44 180.08 2c0s h VAL 21 N 0.06 1.11 -0.61 1.22 2.07 0.29 0.53 116.25 120.91 2c0s h VAL 21 Ca -0.01 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 2c0s h VAL 21 Cb 1.16 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 2c0s h VAL 21 CO 0.09 0.15 0.26 -0.33 0.02 0.00 0.00 177.57 177.76 2c0s h GLU 22 N 0.82 0.90 0.05 1.57 5.08 -1.16 -1.88 114.58 119.96 2c0s h GLU 22 Ca 0.25 -0.15 -0.13 0.00 -1.00 0.00 0.00 59.36 58.34 2c0s h GLU 22 Cb -0.02 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 2c0s h GLU 22 CO -0.09 0.75 -0.63 0.87 -1.00 0.00 0.00 179.01 178.91 2c0s h LYS 23 N 0.84 0.11 0.00 2.33 1.57 -1.29 -3.41 116.57 116.72 2c0s h LYS 23 Ca 0.21 -0.18 -0.24 0.00 -1.87 0.00 0.00 60.65 58.57 2c0s h LYS 23 Cb 0.17 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 2c0s h LYS 23 CO -0.02 1.09 -2.21 0.66 -0.57 0.00 0.00 179.45 178.39 2c0s n TYR 24 N -4.36 0.05 0.00 -1.35 4.01 0.18 -5.08 117.16 110.61 2c0s n TYR 24 Ca -0.17 0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 2c0s n TYR 24 Cb 0.66 -0.84 0.00 0.00 -0.31 0.00 0.00 39.34 38.85 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 1.57 2.77 0.12 2.72 0.00 -0.71 -4.87 105.19 106.80 2c0s n GLY 25 Ca -0.22 -1.76 0.05 0.00 0.00 0.00 0.00 46.02 44.09 2c0s n GLY 25 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2c0s h PHE 26 N 0.00 0.00 -1.90 1.61 0.04 -1.92 -3.36 116.94 111.41 2c0s h PHE 26 Ca 0.00 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.55 2c0s h PHE 26 Cb 0.00 0.00 -0.30 0.00 2.20 0.00 0.00 35.95 37.85 2c0s h PHE 26 CO 0.00 0.35 -0.55 -0.08 -0.60 0.00 0.00 178.31 177.43 2c0s s THR 27 N -3.08 -0.56 0.08 -1.55 -1.32 -1.26 -4.91 115.64 103.04 2c0s s THR 27 Ca 0.00 -0.27 -0.10 0.00 -1.21 0.00 0.00 61.69 60.12 2c0s s THR 27 Cb 0.08 -0.92 0.01 0.00 -1.51 0.00 0.00 72.50 70.16 2c0s s THR 27 CO 0.77 -0.28 0.23 -2.28 -2.21 0.00 0.00 174.62 170.86 2c0s s HIS 28 N 2.49 0.06 0.20 9.09 5.04 -1.26 -5.01 115.29 125.90 2c0s s HIS 28 Ca 0.10 -0.41 -0.15 0.00 -1.54 0.00 0.00 55.06 53.07 2c0s s HIS 28 Cb -0.14 0.00 0.20 0.00 0.04 0.00 0.00 32.58 32.69 2c0s s HIS 28 CO -0.26 -0.54 1.63 0.45 -2.34 0.00 0.00 174.74 173.69 2c0s h HIS 29 N 2.88 -0.34 0.38 3.88 3.86 -1.99 0.24 115.15 124.07 2c0s h HIS 29 Ca -0.33 0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 58.92 2c0s h HIS 29 Cb 1.20 0.24 -0.01 0.00 1.06 0.00 0.00 27.41 29.90 2c0s h HIS 29 CO 0.43 -0.26 -0.29 0.87 0.86 0.00 0.00 177.93 179.54 2c0s h LYS 30 N -0.01 -0.64 -0.42 2.45 1.79 -2.00 -1.99 116.57 115.75 2c0s h LYS 30 Ca 0.28 0.04 0.06 0.00 -2.18 0.00 0.00 60.65 58.86 2c0s h LYS 30 Cb 0.44 0.15 -0.06 0.00 -1.58 0.00 0.00 32.23 31.18 2c0s h LYS 30 CO -0.60 -0.43 0.09 0.28 -1.08 0.00 0.00 179.45 177.71 2c0s h VAL 31 N -0.67 0.79 -0.75 0.50 2.07 -1.61 -1.59 116.25 115.00 2c0s h VAL 31 Ca -0.03 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 2c0s h VAL 31 Cb 0.58 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 2c0s h VAL 31 CO -0.00 0.04 0.40 0.40 0.02 0.00 0.00 177.57 178.43 2c0s h ILE 32 N 0.23 1.23 -0.68 4.57 2.04 -0.51 0.32 117.51 124.71 2c0s h ILE 32 Ca 0.20 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 2c0s h ILE 32 Cb 0.24 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 2c0s h ILE 32 CO -0.26 0.26 0.35 0.28 0.00 0.00 0.00 178.15 178.78 2c0s h SER 33 N 1.05 0.86 0.70 1.72 0.02 -0.53 0.82 113.55 118.19 2c0s h SER 33 Ca 0.26 -0.08 -0.20 0.00 -0.84 0.00 0.00 61.79 60.93 2c0s h SER 33 Cb 0.06 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 2c0s h SER 33 CO -0.04 0.72 -0.90 -0.26 -1.14 0.00 0.00 176.83 175.20 2c0s h PHE 34 N 0.96 0.20 -0.39 3.45 0.04 -0.83 -2.85 116.94 117.51 2c0s h PHE 34 Ca 0.24 -0.12 -0.10 0.00 2.80 0.00 0.00 57.97 60.79 2c0s h PHE 34 Cb 0.07 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 2c0s h PHE 34 CO 0.01 0.96 -0.14 0.77 -0.60 0.00 0.00 178.31 179.30 2c0s h SER 35 N 0.06 0.81 0.38 2.17 0.02 -0.10 -1.51 113.55 115.38 2c0s h SER 35 Ca -0.04 -0.39 -0.06 0.00 -0.84 0.00 0.00 61.79 60.47 2c0s h SER 35 Cb 1.56 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.87 2c0s h SER 35 CO 0.13 1.01 -0.29 1.56 -1.14 0.00 0.00 176.83 178.10 2c0s h GLN 36 N 0.60 0.00 -0.33 3.45 1.08 -0.91 0.15 115.11 119.15 2c0s h GLN 36 Ca 0.09 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.22 2c0s h GLN 36 Cb 0.68 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.10 2c0s h GLN 36 CO 0.05 0.29 -0.08 1.49 -0.95 0.00 0.00 178.83 179.63 2c0s h GLU 37 N 0.00 0.64 -0.69 1.46 4.57 -1.22 -1.49 114.58 117.84 2c0s h GLU 37 Ca -0.00 -0.24 -0.03 0.00 -1.18 0.00 0.00 59.36 57.90 2c0s h GLU 37 Cb 0.56 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.09 2c0s h GLU 37 CO 0.04 0.81 0.31 -0.07 -1.18 0.00 0.00 179.01 178.92 2c0s h LEU 38 N 0.41 0.92 -0.72 1.64 3.38 -0.43 0.21 115.31 120.71 2c0s h LEU 38 Ca 0.08 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.95 2c0s h LEU 38 Cb 0.58 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 2c0s h LEU 38 CO 0.03 0.81 0.44 -0.78 0.09 0.00 0.00 178.44 179.03 2c0s h ASP 39 N 0.96 0.70 -0.19 -0.43 1.82 -0.85 0.42 116.42 118.85 2c0s h ASP 39 Ca 0.23 0.01 -0.03 0.00 -0.39 0.00 0.00 57.03 56.86 2c0s h ASP 39 Cb 0.15 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.01 2c0s h ASP 39 CO -0.03 0.47 0.01 -0.09 -1.61 0.00 0.00 179.24 177.99 2c0s h ARG 40 N 0.83 0.33 -0.52 0.28 2.43 -0.72 -1.26 114.38 115.75 2c0s h ARG 40 Ca 0.31 -0.10 -0.10 0.00 -0.81 0.00 0.00 59.98 59.28 2c0s h ARG 40 Cb 0.10 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 2c0s h ARG 40 CO -0.14 0.52 -0.05 -0.07 -1.51 0.00 0.00 179.97 178.72 2c0s h LEU 41 N 0.10 0.95 -1.54 3.80 3.38 -0.11 -1.98 115.31 119.91 2c0s h LEU 41 Ca 0.06 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 2c0s h LEU 41 Cb 0.37 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2c0s h LEU 41 CO 0.01 1.05 0.25 0.25 0.09 0.00 0.00 178.44 180.09 2c0s h LEU 42 N 0.83 0.49 -1.29 1.67 5.85 -0.15 -1.60 115.31 121.11 2c0s h LEU 42 Ca 0.14 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 2c0s h LEU 42 Cb 0.59 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 2c0s h LEU 42 CO 0.04 0.38 -0.32 -1.13 -0.34 0.00 0.00 178.44 177.07 2c0s h ASN 43 N 0.57 0.00 0.24 1.25 -0.73 -0.49 -1.30 115.58 115.12 2c0s h ASN 43 Ca 0.15 0.00 -0.09 0.00 1.87 0.00 0.00 56.30 58.24 2c0s h ASN 43 Cb -0.02 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.56 2c0s h ASN 43 CO -0.03 0.32 -0.34 -0.07 -0.37 0.00 0.00 177.43 176.94 2c0s h LEU 44 N 0.00 0.16 -0.67 0.34 3.38 -0.78 -0.04 115.31 117.70 2c0s h LEU 44 Ca -0.00 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 2c0s h LEU 44 Cb 0.67 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2c0s h LEU 44 CO 0.04 0.50 -0.59 -0.07 0.09 0.00 0.00 178.44 178.41 2c0s h LEU 45 N 0.14 0.26 -1.50 1.67 3.38 -1.17 -2.59 115.31 115.49 2c0s h LEU 45 Ca 0.02 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 2c0s h LEU 45 Cb 0.68 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2c0s h LEU 45 CO 0.05 0.79 -0.23 0.40 0.09 0.00 0.00 178.44 179.55 2c0s h ILE 46 N 0.17 0.79 -0.62 1.22 2.04 -0.67 -1.66 117.51 118.78 2c0s h ILE 46 Ca -0.00 -0.92 -0.04 0.00 1.00 0.00 0.00 64.86 64.89 2c0s h ILE 46 Cb 1.09 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.71 2c0s h ILE 46 CO 0.09 0.22 0.23 -0.08 0.00 0.00 0.00 178.15 178.61 2c0s h GLU 47 N 0.00 0.95 -0.51 2.37 4.57 -0.65 0.11 114.58 121.43 2c0s h GLU 47 Ca -0.00 -0.19 -0.06 0.00 -1.18 0.00 0.00 59.36 57.93 2c0s h GLU 47 Cb 0.54 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 2c0s h GLU 47 CO 0.03 0.82 0.07 -0.07 -1.18 0.00 0.00 179.01 178.68 2c0s h LEU 48 N 0.88 0.76 -1.30 1.64 -0.00 -1.26 0.15 115.31 116.17 2c0s h LEU 48 Ca 0.21 -0.16 -0.04 0.00 -0.00 0.00 0.00 57.88 57.89 2c0s h LEU 48 Cb 0.24 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 40.68 2c0s h LEU 48 CO -0.01 0.78 0.06 0.11 -0.00 0.00 0.00 178.44 179.38 2c0s h LYS 49 N 0.77 0.53 -0.15 1.13 1.57 -0.68 -0.18 116.57 119.57 2c0s h LYS 49 Ca 0.16 -0.09 -0.18 0.00 -1.87 0.00 0.00 60.65 58.67 2c0s h LYS 49 Cb 0.36 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.59 2c0s h LYS 49 CO 0.01 0.51 -0.61 1.15 -0.57 0.00 0.00 179.45 179.94 2c0s h THR 50 N 0.52 1.32 -0.12 -0.16 2.02 0.08 -3.06 112.91 113.51 2c0s h THR 50 Ca 0.12 -1.86 -0.05 0.00 0.77 0.00 0.00 66.41 65.39 2c0s h THR 50 Cb 0.24 2.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 2c0s h THR 50 CO 0.00 0.58 -0.14 0.11 0.37 0.00 0.00 175.52 176.44 2c0s h LYS 51 N 0.35 0.19 -0.96 6.66 1.57 -0.65 -3.46 116.57 120.27 2c0s h LYS 51 Ca -0.04 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.52 2c0s h LYS 51 Cb 1.25 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 33.46 2c0s h LYS 51 CO 0.13 0.33 -0.16 0.36 -0.57 0.00 0.00 179.45 179.54 2c0s n LYS 52 N -4.29 -1.50 0.00 3.15 2.85 -0.11 -4.77 118.16 113.50 2c0s n LYS 52 Ca -0.01 0.62 0.12 0.00 -1.05 0.00 0.00 58.31 57.99 2c0s n LYS 52 Cb 0.26 -4.70 0.28 0.00 -0.65 0.00 0.00 35.03 30.22 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 -1.09 0.95 -1.70 -1.58 2.85 -1.26 -4.64 118.16 111.70 2c0s n LYS 53 Ca -0.09 -0.64 -0.31 0.00 -1.05 0.00 0.00 58.31 56.23 2c0s n LYS 53 Cb 0.39 -1.49 0.04 0.00 -0.65 0.00 0.00 35.03 33.32 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 -2.49 3.10 0.00 -1.58 0.52 -1.26 -4.91 118.95 112.33 2c0s s ARG 54 Ca 0.23 0.82 0.06 0.00 -0.52 0.00 0.00 55.73 56.32 2c0s s ARG 54 Cb 0.19 -2.02 0.29 0.00 0.52 0.00 0.00 34.95 33.93 2c0s s ARG 54 CO 0.53 -0.95 1.12 0.66 0.02 0.00 0.00 175.30 176.68 2c0s n TYR 55 N -3.01 0.00 0.29 -0.53 4.02 -1.26 -1.79 117.16 114.87 2c0s n TYR 55 Ca 0.07 0.00 0.18 0.00 -0.01 0.00 0.00 57.90 58.14 2c0s n TYR 55 Cb 0.54 -0.39 0.74 0.00 -0.02 0.00 0.00 39.34 40.22 2c0s n TYR 55 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 2c0s h SER 56 N 0.00 0.00 -0.41 7.72 0.02 -1.93 -2.79 113.55 116.17 2c0s h SER 56 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2c0s h SER 56 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2c0s h SER 56 CO 0.00 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.87 2c0s n LEU 57 N -3.06 2.40 0.23 5.07 7.99 -0.74 -3.35 117.00 125.54 2c0s n LEU 57 Ca 0.00 -1.16 0.09 0.00 -0.01 0.00 0.00 56.01 54.93 2c0s n LEU 57 Cb 0.28 -0.27 0.55 0.00 -0.11 0.00 0.00 43.42 43.86 2c0s n LEU 57 CO 0.26 0.58 0.85 -0.07 -1.51 0.00 0.00 177.39 177.50 2c0s h LEU 58 N 2.74 0.00 -7.85 2.23 3.38 -1.71 -3.33 115.31 110.75 2c0s h LEU 58 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 2c0s h LEU 58 Cb 0.62 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.01 2c0s h LEU 58 CO 0.00 0.22 -0.67 -1.83 0.09 0.00 0.00 178.44 176.25 2c0s s GLU 59 N -3.97 2.01 0.90 1.13 -1.05 -1.21 -5.10 118.70 111.41 2c0s s GLU 59 Ca -0.02 -1.61 -0.12 0.00 -0.15 0.00 0.00 54.97 53.07 2c0s s GLU 59 Cb 0.12 -3.27 0.13 0.00 -0.44 0.00 0.00 34.13 30.68 2c0s s GLU 59 CO 0.63 -0.84 1.12 -1.01 0.95 0.00 0.00 175.26 176.11 2c0s s HIS 60 N 1.10 2.48 0.84 4.83 3.76 -1.25 -4.98 115.29 122.07 2c0s s HIS 60 Ca 0.03 0.98 -0.12 0.00 -0.15 0.00 0.00 55.06 55.79 2c0s s HIS 60 Cb -0.20 -3.29 0.10 0.00 1.11 0.00 0.00 32.58 30.30 2c0s s HIS 60 CO -0.04 -2.35 1.14 -1.01 -0.85 0.00 0.00 174.74 171.63 2c0s s HIS 61 N -3.16 2.77 0.23 1.40 0.09 -1.26 -4.95 115.29 110.41 2c0s s HIS 61 Ca 0.63 0.87 0.15 0.00 -0.00 0.00 0.00 55.06 56.72 2c0s s HIS 61 Cb -0.16 -3.37 0.57 0.00 -0.00 0.00 0.00 32.58 29.62 2c0s s HIS 61 CO 0.55 -1.99 1.70 1.25 -0.00 0.00 0.00 174.74 176.24 2c0s h HIS 62 N -1.23 0.00 -0.88 1.40 2.76 -2.06 -3.31 115.15 111.83 2c0s h HIS 62 Ca -0.48 0.00 -0.67 0.00 -2.20 0.00 0.00 60.37 57.02 2c0s h HIS 62 Cb 1.32 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 30.20 2c0s h HIS 62 CO 0.34 0.47 2.13 -1.01 -1.30 0.00 0.00 177.93 178.56 2c0s s HIS 63 N -3.67 2.75 -0.88 5.26 3.76 -1.26 -5.35 115.29 115.90 2c0s s HIS 63 Ca -0.01 -1.53 0.07 0.00 -0.15 0.00 0.00 55.06 53.44 2c0s s HIS 63 Cb 0.12 -4.75 0.06 0.00 1.11 0.00 0.00 32.58 29.12 2c0s s HIS 63 CO 0.72 -1.82 0.72 1.58 -0.85 0.00 0.00 174.74 175.09