#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 4.73 0.39 3.17 0.01 -1.26 -4.96 114.94 117.02 2c0s s ASN 2 Ca 0.00 -0.86 0.21 0.00 -0.71 0.00 0.00 52.86 51.50 2c0s s ASN 2 Cb 0.00 -1.76 0.65 0.00 0.41 0.00 0.00 41.25 40.55 2c0s s ASN 2 CO 0.00 -0.17 1.71 -0.37 -1.51 0.00 0.00 177.10 176.76 2c0s h VAL 3 N 6.07 0.66 0.00 1.60 -1.51 -2.01 -3.20 116.25 117.86 2c0s h VAL 3 Ca -0.31 -1.44 -0.05 0.00 -1.23 0.00 0.00 66.70 63.67 2c0s h VAL 3 Cb 1.11 1.96 -0.01 0.00 -2.13 0.00 0.00 31.29 32.22 2c0s h VAL 3 CO 0.58 0.30 -0.23 0.00 -1.23 0.00 0.00 177.57 176.99 2c0s h THR 4 N 0.00 1.01 0.00 7.19 1.03 -1.99 -1.75 112.91 118.41 2c0s h THR 4 Ca -0.00 -0.83 -0.12 0.00 -0.01 0.00 0.00 66.41 65.45 2c0s h THR 4 Cb 0.94 1.47 -0.02 0.00 -1.07 0.00 0.00 68.15 69.46 2c0s h THR 4 CO 0.04 0.22 -0.56 0.07 -0.01 0.00 0.00 175.52 175.29 2c0s h LYS 5 N 0.00 0.00 -0.16 0.00 5.09 -1.99 -0.35 116.57 119.17 2c0s h LYS 5 Ca -0.00 0.00 -0.17 0.00 0.09 0.00 0.00 60.65 60.57 2c0s h LYS 5 Cb 0.45 0.00 0.01 0.00 0.10 0.00 0.00 32.23 32.78 2c0s h LYS 5 CO 0.03 0.56 -0.56 1.25 -2.09 0.00 0.00 179.45 178.63 2c0s h LEU 6 N 0.00 0.78 -1.20 7.07 5.85 -1.50 -1.84 115.31 124.46 2c0s h LEU 6 Ca -0.01 -0.60 -0.08 0.00 0.84 0.00 0.00 57.88 58.03 2c0s h LEU 6 Cb 1.07 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 2c0s h LEU 6 CO 0.07 1.25 -0.28 -1.13 -0.34 0.00 0.00 178.44 178.00 2c0s h ASN 7 N 0.35 0.18 -0.51 1.25 -1.24 -1.06 -0.29 115.58 114.26 2c0s h ASN 7 Ca -0.02 -0.06 -0.10 0.00 0.71 0.00 0.00 56.30 56.83 2c0s h ASN 7 Cb 1.19 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 40.17 2c0s h ASN 7 CO 0.12 0.47 -0.06 -0.78 -1.29 0.00 0.00 177.43 175.89 2c0s h ASP 8 N 0.17 0.94 -0.16 1.15 1.82 -0.93 -1.91 116.42 117.49 2c0s h ASP 8 Ca 0.02 -0.33 -0.10 0.00 -0.39 0.00 0.00 57.03 56.23 2c0s h ASP 8 Cb 0.60 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.34 2c0s h ASP 8 CO 0.04 1.05 -0.21 0.03 -1.61 0.00 0.00 179.24 178.54 2c0s h ARG 9 N 0.81 0.60 -0.93 0.28 3.08 -0.62 -2.06 114.38 115.55 2c0s h ARG 9 Ca 0.14 -0.22 0.04 0.00 0.07 0.00 0.00 59.98 60.01 2c0s h ARG 9 Cb 0.61 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.56 2c0s h ARG 9 CO 0.04 0.77 0.60 0.82 -1.07 0.00 0.00 179.97 181.13 2c0s h ILE 10 N 0.53 1.13 -0.77 2.04 2.04 -0.83 -1.54 117.51 120.11 2c0s h ILE 10 Ca 0.08 -0.39 0.03 0.00 1.00 0.00 0.00 64.86 65.58 2c0s h ILE 10 Cb 0.66 -0.11 -0.05 0.00 -0.74 0.00 0.00 36.82 36.58 2c0s h ILE 10 CO 0.05 0.21 0.49 -0.08 0.00 0.00 0.00 178.15 178.81 2c0s h GLU 11 N 1.14 0.93 -0.17 2.37 4.57 -0.64 0.36 114.58 123.14 2c0s h GLU 11 Ca 0.38 -0.06 -0.12 0.00 -1.18 0.00 0.00 59.36 58.39 2c0s h GLU 11 Cb 0.05 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.42 2c0s h GLU 11 CO -0.13 0.62 -0.39 0.00 -1.18 0.00 0.00 179.01 177.92 2c0s h ALA 12 N 1.32 1.00 -0.02 2.92 0.00 -1.14 -2.40 119.26 120.94 2c0s h ALA 12 Ca 0.31 -0.42 -0.22 0.00 0.00 0.00 0.00 54.91 54.58 2c0s h ALA 12 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2c0s h ALA 12 CO -0.11 0.61 -0.89 0.87 0.00 0.00 0.00 179.25 179.73 2c0s h LYS 13 N 0.33 0.41 0.33 0.00 1.79 -0.25 -2.39 116.57 116.79 2c0s h LYS 13 Ca 0.03 -0.41 -0.02 0.00 -2.18 0.00 0.00 60.65 58.07 2c0s h LYS 13 Cb 0.84 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 2c0s h LYS 13 CO 0.07 1.07 -0.16 0.87 -1.08 0.00 0.00 179.45 180.22 2c0s h LYS 14 N 0.24 -0.43 -0.82 3.15 1.57 -0.16 0.37 116.57 120.48 2c0s h LYS 14 Ca -0.07 0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 2c0s h LYS 14 Cb 1.52 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.88 2c0s h LYS 14 CO 0.15 -0.28 0.41 0.87 -0.57 0.00 0.00 179.45 180.03 2c0s h LYS 15 N -0.45 1.18 -0.06 3.15 1.57 -1.48 0.31 116.57 120.78 2c0s h LYS 15 Ca -0.05 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2c0s h LYS 15 Cb 0.35 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 2c0s h LYS 15 CO 0.07 0.89 0.03 1.49 -0.57 0.00 0.00 179.45 181.37 2c0s h GLU 16 N 1.17 0.09 -0.36 3.15 4.81 -1.30 -1.84 114.58 120.30 2c0s h GLU 16 Ca 0.28 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 2c0s h GLU 16 Cb 0.10 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 2c0s h GLU 16 CO -0.04 0.14 0.18 1.25 -0.73 0.00 0.00 179.01 179.82 2c0s h LEU 17 N 0.01 0.46 -0.60 1.64 5.85 -0.44 -1.79 115.31 120.44 2c0s h LEU 17 Ca 0.02 -0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.72 2c0s h LEU 17 Cb 0.08 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 40.93 2c0s h LEU 17 CO -0.00 0.43 0.23 0.40 -0.34 0.00 0.00 178.44 179.16 2c0s h ILE 18 N 0.44 0.78 -0.65 4.05 2.04 -0.83 0.26 117.51 123.61 2c0s h ILE 18 Ca 0.12 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2c0s h ILE 18 Cb 0.09 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 2c0s h ILE 18 CO -0.02 0.07 0.41 0.22 0.00 0.00 0.00 178.15 178.84 2c0s h TYR 19 N 0.41 0.84 -0.11 1.37 3.20 -0.95 -0.62 116.97 121.10 2c0s h TYR 19 Ca 0.30 0.01 -0.16 0.00 3.14 0.00 0.00 58.73 62.01 2c0s h TYR 19 Cb 0.36 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 2c0s h TYR 19 CO -0.16 0.55 -0.62 -0.07 -1.64 0.00 0.00 178.16 176.21 2c0s h LEU 20 N 0.88 0.44 -0.83 2.82 3.38 -0.39 0.17 115.31 121.78 2c0s h LEU 20 Ca 0.24 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 2c0s h LEU 20 Cb -0.06 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2c0s h LEU 20 CO -0.05 0.96 -0.11 0.58 0.09 0.00 0.00 178.44 179.91 2c0s h VAL 21 N 0.29 1.26 -0.03 1.22 2.07 -0.11 0.32 116.25 121.26 2c0s h VAL 21 Ca -0.01 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 2c0s h VAL 21 Cb 1.16 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 2c0s h VAL 21 CO 0.11 0.39 -0.02 -0.33 0.02 0.00 0.00 177.57 177.74 2c0s h GLU 22 N 0.68 0.07 0.03 1.57 4.39 -0.87 -2.65 114.58 117.81 2c0s h GLU 22 Ca 0.12 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.69 2c0s h GLU 22 Cb 0.58 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 2c0s h GLU 22 CO 0.04 0.49 -0.45 0.87 -1.16 0.00 0.00 179.01 178.79 2c0s h LYS 23 N -0.35 0.07 0.07 2.33 1.79 -0.88 -3.40 116.57 116.20 2c0s h LYS 23 Ca 0.01 -0.12 -0.26 0.00 -2.18 0.00 0.00 60.65 58.09 2c0s h LYS 23 Cb 0.47 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.15 2c0s h LYS 23 CO 0.01 1.06 -1.38 1.88 -1.08 0.00 0.00 179.45 179.93 2c0s h TYR 24 N -0.83 0.25 0.00 -1.35 -1.99 -0.60 -3.51 116.97 108.94 2c0s h TYR 24 Ca -0.10 -0.18 0.00 0.00 2.00 0.00 0.00 58.73 60.44 2c0s h TYR 24 Cb 1.22 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.94 2c0s h TYR 24 CO 0.22 1.54 0.00 0.41 -0.00 0.00 0.00 178.16 180.34 2c0s n GLY 25 N 1.66 2.03 3.92 3.88 0.00 -0.65 -4.99 105.19 111.04 2c0s n GLY 25 Ca -0.28 -2.05 -0.27 0.00 0.00 0.00 0.00 46.02 43.42 2c0s n GLY 25 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2c0s s PHE 26 N -2.15 3.15 -1.52 1.61 -0.71 -1.26 -4.14 117.98 112.97 2c0s s PHE 26 Ca 0.00 0.62 0.00 0.00 -1.04 0.00 0.00 56.93 56.51 2c0s s PHE 26 Cb 0.00 -2.92 0.00 0.00 -1.21 0.00 0.00 43.02 38.89 2c0s s PHE 26 CO 0.00 -1.05 0.00 2.41 -1.34 0.00 0.00 175.22 175.24 2c0s n THR 27 N -2.74 -0.45 -4.25 -4.49 -1.04 -1.26 -5.00 114.28 95.05 2c0s n THR 27 Ca 0.06 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.72 2c0s n THR 27 Cb 0.58 -2.10 -0.09 0.00 -1.82 0.00 0.00 70.33 66.90 2c0s n THR 27 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 2c0s s HIS 28 N -2.72 3.21 0.24 -1.42 5.04 -1.26 -5.00 115.29 113.39 2c0s s HIS 28 Ca 0.00 0.16 -0.05 0.00 -1.54 0.00 0.00 55.06 53.63 2c0s s HIS 28 Cb 0.00 -1.87 0.45 0.00 0.04 0.00 0.00 32.58 31.19 2c0s s HIS 28 CO 0.00 0.39 1.70 0.45 -2.34 0.00 0.00 174.74 174.95 2c0s h HIS 29 N 5.57 0.37 0.23 3.88 3.86 -1.94 0.86 115.15 127.97 2c0s h HIS 29 Ca -0.47 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 58.77 2c0s h HIS 29 Cb 1.19 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.61 2c0s h HIS 29 CO 0.62 -0.02 -0.11 0.87 0.86 0.00 0.00 177.93 180.15 2c0s h LYS 30 N 0.34 -0.29 -1.00 2.45 1.57 -1.98 -2.00 116.57 115.66 2c0s h LYS 30 Ca 0.41 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.28 2c0s h LYS 30 Cb 0.66 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.97 2c0s h LYS 30 CO -0.46 -0.14 0.64 0.28 -0.57 0.00 0.00 179.45 179.20 2c0s h VAL 31 N -0.38 1.06 -0.66 0.50 2.07 -1.57 -0.32 116.25 116.95 2c0s h VAL 31 Ca -0.03 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 2c0s h VAL 31 Cb 0.29 -0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 29.84 2c0s h VAL 31 CO 0.05 0.21 0.34 0.40 0.02 0.00 0.00 177.57 178.59 2c0s h ILE 32 N 1.14 1.22 -0.64 4.57 2.04 -0.73 0.10 117.51 125.21 2c0s h ILE 32 Ca 0.44 -0.58 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 2c0s h ILE 32 Cb 0.22 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 2c0s h ILE 32 CO -0.19 0.25 0.25 0.28 0.00 0.00 0.00 178.15 178.74 2c0s h SER 33 N 0.91 0.88 -0.40 1.72 0.02 -0.33 -0.73 113.55 115.62 2c0s h SER 33 Ca 0.23 -0.18 -0.09 0.00 -0.84 0.00 0.00 61.79 60.92 2c0s h SER 33 Cb 0.08 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 2c0s h SER 33 CO -0.03 0.82 -0.05 -0.26 -1.14 0.00 0.00 176.83 176.16 2c0s h PHE 34 N 0.89 0.90 -0.70 3.45 0.04 -0.92 -1.45 116.94 119.16 2c0s h PHE 34 Ca 0.21 -0.15 -0.04 0.00 2.80 0.00 0.00 57.97 60.79 2c0s h PHE 34 Cb 0.22 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.10 2c0s h PHE 34 CO 0.01 0.85 0.28 0.77 -0.60 0.00 0.00 178.31 179.62 2c0s h SER 35 N 0.76 0.94 -0.40 2.17 0.02 -0.49 -0.80 113.55 115.74 2c0s h SER 35 Ca 0.14 -0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 2c0s h SER 35 Cb 0.54 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 2c0s h SER 35 CO 0.03 0.84 0.08 1.56 -1.14 0.00 0.00 176.83 178.20 2c0s h GLN 36 N 1.01 0.74 0.05 3.45 4.20 -0.66 -1.36 115.11 122.53 2c0s h GLN 36 Ca 0.23 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 2c0s h GLN 36 Cb 0.19 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.87 2c0s h GLN 36 CO -0.02 0.70 -0.02 0.93 -0.67 0.00 0.00 178.83 179.74 2c0s h GLU 37 N 0.71 -0.07 -0.28 1.46 5.08 -0.18 -1.93 114.58 119.37 2c0s h GLU 37 Ca 0.15 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.55 2c0s h GLU 37 Cb 0.32 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 2c0s h GLU 37 CO 0.00 0.08 0.08 -0.07 -1.00 0.00 0.00 179.01 178.11 2c0s h LEU 38 N -0.20 0.08 -0.41 1.33 -0.00 -0.91 0.97 115.31 116.16 2c0s h LEU 38 Ca -0.01 0.03 0.01 0.00 -0.00 0.00 0.00 57.88 57.92 2c0s h LEU 38 Cb 0.18 0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 40.85 2c0s h LEU 38 CO 0.01 0.08 0.26 -0.78 -0.00 0.00 0.00 178.44 178.01 2c0s h ASP 39 N 0.20 0.43 -0.22 -0.43 3.58 -1.25 0.54 116.42 119.28 2c0s h ASP 39 Ca 0.13 -0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.53 2c0s h ASP 39 Cb 0.11 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 2c0s h ASP 39 CO -0.14 0.31 -0.03 0.03 -2.88 0.00 0.00 179.24 176.54 2c0s h ARG 40 N 0.53 0.41 -0.67 0.28 3.08 -1.02 -1.46 114.38 115.52 2c0s h ARG 40 Ca 0.16 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 2c0s h ARG 40 Cb -0.03 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 2c0s h ARG 40 CO -0.05 0.62 0.24 -0.07 -1.07 0.00 0.00 179.97 179.64 2c0s h LEU 41 N 0.16 0.95 -0.44 3.04 4.07 -0.66 -0.72 115.31 121.70 2c0s h LEU 41 Ca 0.06 -0.19 0.02 0.00 0.08 0.00 0.00 57.88 57.85 2c0s h LEU 41 Cb 0.46 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 41.92 2c0s h LEU 41 CO 0.02 0.88 0.26 0.25 -1.08 0.00 0.00 178.44 178.77 2c0s h LEU 42 N 0.97 0.41 -0.97 1.67 5.85 -0.82 -2.00 115.31 120.42 2c0s h LEU 42 Ca 0.22 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.95 2c0s h LEU 42 Cb 0.25 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.20 2c0s h LEU 42 CO -0.01 0.29 0.00 0.78 -0.34 0.00 0.00 178.44 179.16 2c0s h ASN 43 N 0.51 0.00 0.07 1.25 2.35 -0.83 -2.69 115.58 116.24 2c0s h ASN 43 Ca 0.18 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.87 2c0s h ASN 43 Cb 0.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 2c0s h ASN 43 CO -0.09 0.00 -0.19 -0.07 -1.65 0.00 0.00 177.43 175.43 2c0s h LEU 44 N 0.00 0.24 -0.66 1.61 3.38 -0.35 0.30 115.31 119.82 2c0s h LEU 44 Ca 0.00 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 2c0s h LEU 44 Cb 0.45 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2c0s h LEU 44 CO 0.00 0.45 -0.31 -0.07 0.09 0.00 0.00 178.44 178.60 2c0s h LEU 45 N 0.23 0.73 -0.41 1.67 4.07 -1.52 -2.75 115.31 117.32 2c0s h LEU 45 Ca 0.04 -0.29 -0.17 0.00 0.08 0.00 0.00 57.88 57.54 2c0s h LEU 45 Cb 0.48 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 42.02 2c0s h LEU 45 CO 0.03 0.99 -0.54 0.40 -1.08 0.00 0.00 178.44 178.24 2c0s h ILE 46 N 0.59 1.30 -0.09 1.22 5.03 -1.54 -3.27 117.51 120.75 2c0s h ILE 46 Ca 0.07 -1.75 0.04 0.00 -0.12 0.00 0.00 64.86 63.10 2c0s h ILE 46 Cb 0.82 1.68 -0.06 0.00 -3.03 0.00 0.00 36.82 36.23 2c0s h ILE 46 CO 0.07 0.56 -0.35 -0.08 -0.68 0.00 0.00 178.15 177.67 2c0s h GLU 47 N 0.56 -0.43 -0.50 2.37 4.57 -0.14 -1.22 114.58 119.78 2c0s h GLU 47 Ca 0.01 0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.13 2c0s h GLU 47 Cb 1.11 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.79 2c0s h GLU 47 CO 0.11 -0.29 -0.04 -0.07 -1.18 0.00 0.00 179.01 177.54 2c0s h LEU 48 N -0.45 0.91 -0.42 1.64 -0.00 -1.58 -1.95 115.31 113.46 2c0s h LEU 48 Ca 0.08 -0.33 -0.18 0.00 -0.00 0.00 0.00 57.88 57.46 2c0s h LEU 48 Cb 0.58 -0.25 -0.00 0.00 -0.00 0.00 0.00 40.66 40.99 2c0s h LEU 48 CO -0.34 1.02 -0.61 0.50 -0.00 0.00 0.00 178.44 179.00 2c0s h LYS 49 N 0.78 0.61 0.02 1.13 3.64 -1.57 -3.05 116.57 118.12 2c0s h LYS 49 Ca 0.14 -0.42 -0.20 0.00 -1.27 0.00 0.00 60.65 58.90 2c0s h LYS 49 Cb 0.58 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 2c0s h LYS 49 CO 0.03 1.03 -0.94 1.15 -2.27 0.00 0.00 179.45 178.45 2c0s h THR 50 N 0.45 1.60 -0.07 1.00 2.02 -1.13 -3.25 112.91 113.54 2c0s h THR 50 Ca -0.01 -3.01 -0.19 0.00 0.77 0.00 0.00 66.41 63.97 2c0s h THR 50 Cb 1.18 2.67 -0.00 0.00 -1.74 0.00 0.00 68.15 70.26 2c0s h THR 50 CO 0.12 0.87 -0.77 0.07 0.37 0.00 0.00 175.52 176.17 2c0s h LYS 51 N 0.03 0.42 0.00 6.66 2.10 -1.38 -3.46 116.57 120.94 2c0s h LYS 51 Ca -0.03 -0.36 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 2c0s h LYS 51 Cb 1.63 0.08 0.00 0.00 -0.90 0.00 0.00 32.23 33.05 2c0s h LYS 51 CO 0.13 1.01 0.00 0.36 -2.00 0.00 0.00 179.45 178.95 2c0s n LYS 52 N -3.82 -1.57 -0.06 0.07 2.85 -1.15 -4.73 118.16 109.74 2c0s n LYS 52 Ca -0.05 0.26 0.11 0.00 -1.05 0.00 0.00 58.31 57.58 2c0s n LYS 52 Cb 0.73 -3.95 0.42 0.00 -0.65 0.00 0.00 35.03 31.58 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 0.31 1.70 -3.13 -1.58 -0.00 -1.26 -4.63 118.16 109.57 2c0s n LYS 53 Ca 0.00 -1.04 -0.39 0.00 -0.00 0.00 0.00 58.31 56.88 2c0s n LYS 53 Cb 0.26 -1.42 -0.06 0.00 -0.00 0.00 0.00 35.03 33.81 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 -1.85 4.37 0.32 -1.58 1.81 -1.26 -4.96 118.95 115.81 2c0s s ARG 54 Ca 0.34 0.88 0.11 0.00 -1.72 0.00 0.00 55.73 55.34 2c0s s ARG 54 Cb 0.18 -3.31 1.00 0.00 -0.45 0.00 0.00 34.95 32.38 2c0s s ARG 54 CO 0.28 0.45 1.50 0.66 -0.68 0.00 0.00 175.30 177.51 2c0s n TYR 55 N 2.31 0.85 -0.28 -0.53 4.01 -1.26 -1.22 117.16 121.04 2c0s n TYR 55 Ca -0.06 1.14 0.21 0.00 -0.16 0.00 0.00 57.90 59.02 2c0s n TYR 55 Cb 0.50 -1.37 0.51 0.00 -0.31 0.00 0.00 39.34 38.68 2c0s n TYR 55 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 2c0s h SER 56 N 0.00 0.42 1.37 7.72 0.02 -1.93 0.15 113.55 121.30 2c0s h SER 56 Ca 0.69 0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 61.64 2c0s h SER 56 Cb 1.66 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 64.17 2c0s h SER 56 CO -0.82 0.13 -0.65 -0.07 -1.14 0.00 0.00 176.83 174.28 2c0s h LEU 57 N 0.40 0.00 0.00 5.07 4.07 -1.44 -3.20 115.31 120.20 2c0s h LEU 57 Ca 0.53 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.49 2c0s h LEU 57 Cb 1.34 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.08 2c0s h LEU 57 CO -0.22 0.23 -0.60 -0.07 -1.08 0.00 0.00 178.44 176.69 2c0s h LEU 58 N 0.00 0.00 -0.07 1.67 -0.00 -0.87 -3.26 115.31 112.78 2c0s h LEU 58 Ca -0.03 -0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.75 2c0s h LEU 58 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.86 2c0s h LEU 58 CO 0.02 0.05 0.00 -0.62 -0.00 0.00 0.00 178.44 177.89 2c0s n GLU 59 N -2.45 0.02 -3.06 1.13 1.02 -0.31 -4.13 120.64 112.86 2c0s n GLU 59 Ca 0.02 0.25 -0.45 0.00 -0.02 0.00 0.00 57.16 56.97 2c0s n GLU 59 Cb 0.49 -1.54 -0.03 0.00 -0.02 0.00 0.00 31.44 30.33 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 -3.03 3.15 0.80 -0.32 3.76 -1.23 -5.03 115.29 113.39 2c0s s HIS 60 Ca 0.07 -1.27 -0.12 0.00 -0.15 0.00 0.00 55.06 53.60 2c0s s HIS 60 Cb 0.10 -4.11 0.08 0.00 1.11 0.00 0.00 32.58 29.76 2c0s s HIS 60 CO 0.30 -1.35 1.17 -1.01 -0.85 0.00 0.00 174.74 173.00 2c0s s HIS 61 N 2.36 2.94 0.16 1.40 3.76 -1.26 -4.95 115.29 119.70 2c0s s HIS 61 Ca 0.22 0.72 0.00 0.00 -0.15 0.00 0.00 55.06 55.85 2c0s s HIS 61 Cb -0.14 -3.48 0.00 0.00 1.11 0.00 0.00 32.58 30.07 2c0s s HIS 61 CO -0.02 -1.76 0.00 0.72 -0.85 0.00 0.00 174.74 172.83 2c0s n HIS 62 N -3.29 -1.11 -0.76 1.40 8.25 -1.26 -4.63 115.22 113.81 2c0s n HIS 62 Ca 0.08 0.59 0.08 0.00 -0.26 0.00 0.00 57.72 58.22 2c0s n HIS 62 Cb 0.61 -1.01 0.35 0.00 1.12 0.00 0.00 29.99 31.06 2c0s n HIS 62 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2c0s n HIS 63 N -2.90 1.56 0.50 4.41 -0.00 -1.26 -5.20 115.22 112.32 2c0s n HIS 63 Ca -0.02 -0.69 0.06 0.00 -0.00 0.00 0.00 57.72 57.07 2c0s n HIS 63 Cb 0.20 -0.34 0.05 0.00 -0.00 0.00 0.00 29.99 29.90 2c0s n HIS 63 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92