#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 1.41 0.47 6.12 0.01 -1.26 -5.01 114.94 116.68 2c0s s ASN 2 Ca 0.00 -0.16 0.24 0.00 -0.71 0.00 0.00 52.86 52.23 2c0s s ASN 2 Cb 0.00 -0.55 1.16 0.00 0.41 0.00 0.00 41.25 42.27 2c0s s ASN 2 CO 0.00 -0.10 1.95 -0.37 -1.51 0.00 0.00 177.10 177.08 2c0s h VAL 3 N 6.18 0.70 -0.28 1.60 -1.51 -2.01 -2.40 116.25 118.53 2c0s h VAL 3 Ca -0.31 -0.85 -0.01 0.00 -1.23 0.00 0.00 66.70 64.30 2c0s h VAL 3 Cb 1.14 1.53 -0.01 0.00 -2.13 0.00 0.00 31.29 31.82 2c0s h VAL 3 CO 0.40 0.20 0.11 0.00 -1.23 0.00 0.00 177.57 177.05 2c0s h THR 4 N 0.00 1.11 0.00 7.19 1.03 -1.98 0.22 112.91 120.48 2c0s h THR 4 Ca -0.00 -0.36 -0.13 0.00 -0.01 0.00 0.00 66.41 65.91 2c0s h THR 4 Cb 0.52 0.78 -0.02 0.00 -1.07 0.00 0.00 68.15 68.36 2c0s h THR 4 CO 0.03 0.14 -0.63 0.11 -0.01 0.00 0.00 175.52 175.15 2c0s h LYS 5 N 0.40 0.00 -0.33 0.00 1.79 -1.86 0.04 116.57 116.61 2c0s h LYS 5 Ca 0.10 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.48 2c0s h LYS 5 Cb 0.08 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 2c0s h LYS 5 CO -0.01 0.63 -0.16 1.25 -1.08 0.00 0.00 179.45 180.08 2c0s h LEU 6 N 0.00 0.71 -0.76 2.94 5.85 -1.07 -1.39 115.31 121.59 2c0s h LEU 6 Ca -0.01 -0.41 0.06 0.00 0.84 0.00 0.00 57.88 58.37 2c0s h LEU 6 Cb 1.37 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 42.15 2c0s h LEU 6 CO 0.08 0.96 0.45 0.78 -0.34 0.00 0.00 178.44 180.38 2c0s h ASN 7 N 0.46 0.70 -0.84 1.25 4.21 -0.47 -1.60 115.58 119.29 2c0s h ASN 7 Ca 0.07 0.02 0.07 0.00 1.21 0.00 0.00 56.30 57.68 2c0s h ASN 7 Cb 0.69 -0.12 -0.06 0.00 -1.12 0.00 0.00 38.32 37.71 2c0s h ASN 7 CO 0.05 0.45 0.51 -0.78 -1.29 0.00 0.00 177.43 176.37 2c0s h ASP 8 N 0.83 0.78 -0.59 5.81 1.82 -0.76 -0.81 116.42 123.49 2c0s h ASP 8 Ca 0.34 0.03 -0.07 0.00 -0.39 0.00 0.00 57.03 56.94 2c0s h ASP 8 Cb 0.17 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.03 2c0s h ASP 8 CO -0.17 0.48 0.11 0.03 -1.61 0.00 0.00 179.24 178.08 2c0s h ARG 9 N 0.90 0.97 -0.77 0.28 3.08 -0.34 -2.54 114.38 115.96 2c0s h ARG 9 Ca 0.38 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2c0s h ARG 9 Cb 0.23 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 2c0s h ARG 9 CO -0.20 0.91 0.49 0.82 -1.07 0.00 0.00 179.97 180.93 2c0s h ILE 10 N 0.88 1.21 -0.72 2.04 2.04 -0.60 -2.04 117.51 120.30 2c0s h ILE 10 Ca 0.18 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.65 2c0s h ILE 10 Cb 0.40 0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 2c0s h ILE 10 CO 0.01 0.21 0.47 -0.08 0.00 0.00 0.00 178.15 178.75 2c0s h GLU 11 N 1.05 0.90 0.00 2.37 4.57 -0.79 -0.13 114.58 122.55 2c0s h GLU 11 Ca 0.28 -0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 58.31 2c0s h GLU 11 Cb -0.09 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.28 2c0s h GLU 11 CO -0.06 0.60 -0.45 0.00 -1.18 0.00 0.00 179.01 177.92 2c0s h ALA 12 N 1.28 0.95 0.01 2.92 0.00 -1.16 -2.82 119.26 120.45 2c0s h ALA 12 Ca 0.28 -0.41 -0.19 0.00 0.00 0.00 0.00 54.91 54.59 2c0s h ALA 12 Cb -0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2c0s h ALA 12 CO -0.08 0.56 -0.87 0.87 0.00 0.00 0.00 179.25 179.72 2c0s h LYS 13 N 0.00 0.09 0.31 0.00 1.79 -0.53 -1.69 116.57 116.55 2c0s h LYS 13 Ca -0.00 -0.10 -0.01 0.00 -2.18 0.00 0.00 60.65 58.35 2c0s h LYS 13 Cb 0.99 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.67 2c0s h LYS 13 CO 0.06 0.90 -0.17 0.87 -1.08 0.00 0.00 179.45 180.03 2c0s h LYS 14 N 0.05 -0.44 -0.27 3.15 1.57 -0.85 0.22 116.57 120.00 2c0s h LYS 14 Ca -0.03 0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2c0s h LYS 14 Cb 1.52 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.91 2c0s h LYS 14 CO 0.12 -0.29 -0.10 1.57 -0.57 0.00 0.00 179.45 180.18 2c0s h LYS 15 N -0.45 0.45 -0.28 3.15 5.09 -1.45 -0.50 116.57 122.58 2c0s h LYS 15 Ca -0.04 -0.12 -0.10 0.00 0.09 0.00 0.00 60.65 60.49 2c0s h LYS 15 Cb 0.36 -0.05 -0.01 0.00 0.10 0.00 0.00 32.23 32.63 2c0s h LYS 15 CO 0.05 0.56 -0.21 1.49 -2.09 0.00 0.00 179.45 179.25 2c0s h GLU 16 N 0.42 0.64 -0.20 0.07 4.81 -1.18 -1.70 114.58 117.44 2c0s h GLU 16 Ca 0.08 -0.31 0.01 0.00 -0.13 0.00 0.00 59.36 59.01 2c0s h GLU 16 Cb 0.44 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 2c0s h GLU 16 CO 0.02 0.91 0.12 1.25 -0.73 0.00 0.00 179.01 180.58 2c0s h LEU 17 N 0.37 0.19 -0.27 1.64 7.12 -0.34 0.20 115.31 124.22 2c0s h LEU 17 Ca 0.05 0.00 0.05 0.00 0.13 0.00 0.00 57.88 58.11 2c0s h LEU 17 Cb 0.76 -0.04 -0.04 0.00 -0.53 0.00 0.00 40.66 40.81 2c0s h LEU 17 CO 0.06 0.14 -0.01 0.40 -0.13 0.00 0.00 178.44 178.90 2c0s h ILE 18 N 0.24 0.80 -0.99 4.05 2.04 -1.02 0.93 117.51 123.56 2c0s h ILE 18 Ca 0.08 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 65.93 2c0s h ILE 18 Cb -0.00 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 36.74 2c0s h ILE 18 CO -0.04 0.01 0.65 0.22 0.00 0.00 0.00 178.15 179.00 2c0s h TYR 19 N 0.07 1.24 -0.11 1.37 3.20 -0.92 -0.95 116.97 120.88 2c0s h TYR 19 Ca 0.13 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.89 2c0s h TYR 19 Cb 0.17 -0.42 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 2c0s h TYR 19 CO -0.21 0.77 -0.54 -0.07 -1.64 0.00 0.00 178.16 176.47 2c0s h LEU 20 N 1.33 0.36 -0.93 2.82 3.38 -0.22 -2.20 115.31 119.85 2c0s h LEU 20 Ca 0.37 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 2c0s h LEU 20 Cb -0.14 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2c0s h LEU 20 CO -0.08 0.83 -0.35 0.58 0.09 0.00 0.00 178.44 179.51 2c0s h VAL 21 N 0.25 1.29 -0.11 1.22 2.07 -0.09 0.35 116.25 121.24 2c0s h VAL 21 Ca 0.00 -1.41 -0.00 0.00 0.82 0.00 0.00 66.70 66.11 2c0s h VAL 21 Cb 1.03 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 2c0s h VAL 21 CO 0.09 0.43 0.05 -0.33 0.02 0.00 0.00 177.57 177.83 2c0s h GLU 22 N 0.30 0.15 0.19 1.57 4.39 -0.82 -0.99 114.58 119.37 2c0s h GLU 22 Ca 0.04 -0.02 -0.30 0.00 0.34 0.00 0.00 59.36 59.42 2c0s h GLU 22 Cb 0.76 -0.03 0.02 0.00 -0.10 0.00 0.00 28.75 29.40 2c0s h GLU 22 CO 0.06 0.21 -1.40 0.87 -1.16 0.00 0.00 179.01 177.59 2c0s h LYS 23 N 0.06 0.39 0.01 2.33 1.79 -1.24 -3.40 116.57 116.50 2c0s h LYS 23 Ca 0.04 -0.67 -0.40 0.00 -2.18 0.00 0.00 60.65 57.44 2c0s h LYS 23 Cb 0.11 0.25 -0.06 0.00 -1.58 0.00 0.00 32.23 30.94 2c0s h LYS 23 CO -0.01 1.32 -2.43 0.66 -1.08 0.00 0.00 179.45 177.91 2c0s n TYR 24 N -3.82 0.12 0.00 -1.35 4.01 0.12 -5.10 117.16 111.15 2c0s n TYR 24 Ca -0.20 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 2c0s n TYR 24 Cb 1.00 -1.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 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 1.37 3.51 2.72 0.00 -0.37 -4.88 105.19 109.60 2c0s n GLY 25 Ca -0.46 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 2c0s n GLY 25 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2c0s s PHE 26 N -0.79 2.70 0.00 1.61 2.19 -1.26 -4.06 117.98 118.37 2c0s s PHE 26 Ca 0.00 -0.88 0.00 0.00 0.33 0.00 0.00 56.93 56.38 2c0s s PHE 26 Cb 0.00 -4.51 0.00 0.00 -1.31 0.00 0.00 43.02 37.20 2c0s s PHE 26 CO 0.00 -1.78 0.00 -2.37 1.83 0.00 0.00 175.22 172.90 2c0s n THR 27 N 6.27 0.00 -2.63 0.12 5.66 -1.26 -5.06 114.28 117.38 2c0s n THR 27 Ca 0.22 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.94 2c0s n THR 27 Cb 0.49 -0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.27 2c0s n THR 27 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 2c0s s HIS 28 N -1.12 3.56 0.28 1.09 -3.43 -1.26 -4.94 115.29 109.47 2c0s s HIS 28 Ca 0.00 0.83 -0.00 0.00 -0.80 0.00 0.00 55.06 55.09 2c0s s HIS 28 Cb 0.00 -2.32 0.49 0.00 -1.43 0.00 0.00 32.58 29.32 2c0s s HIS 28 CO 0.00 -0.28 1.88 0.45 -2.00 0.00 0.00 174.74 174.79 2c0s h HIS 29 N 0.25 1.14 -0.51 0.38 -0.00 -1.99 -2.52 115.15 111.90 2c0s h HIS 29 Ca -0.47 0.03 0.10 0.00 -0.00 0.00 0.00 60.37 60.03 2c0s h HIS 29 Cb 1.20 -0.37 -0.10 0.00 -0.00 0.00 0.00 27.41 28.15 2c0s h HIS 29 CO 0.59 0.56 -0.12 -0.22 -0.00 0.00 0.00 177.93 178.74 2c0s h LYS 30 N 1.09 0.01 -0.16 2.45 3.64 -1.97 0.19 116.57 121.80 2c0s h LYS 30 Ca 0.44 -0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.60 2c0s h LYS 30 Cb 0.26 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2c0s h LYS 30 CO -0.19 0.01 -0.75 0.28 -2.27 0.00 0.00 179.45 176.53 2c0s h VAL 31 N 0.01 1.28 -0.50 2.00 2.07 -1.77 -2.95 116.25 116.39 2c0s h VAL 31 Ca 0.25 -1.96 -0.05 0.00 0.82 0.00 0.00 66.70 65.75 2c0s h VAL 31 Cb 0.38 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 2c0s h VAL 31 CO -0.52 0.62 0.09 0.40 0.02 0.00 0.00 177.57 178.18 2c0s h ILE 32 N 0.54 1.22 0.00 4.57 2.04 -1.13 -1.21 117.51 123.55 2c0s h ILE 32 Ca -0.04 -0.84 -0.04 0.00 1.00 0.00 0.00 64.86 64.93 2c0s h ILE 32 Cb 1.38 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 2c0s h ILE 32 CO 0.16 0.31 -0.21 0.28 0.00 0.00 0.00 178.15 178.68 2c0s h SER 33 N 0.74 0.00 -0.25 1.72 0.02 -0.58 -2.17 113.55 113.04 2c0s h SER 33 Ca 0.16 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.96 2c0s h SER 33 Cb 0.33 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 2c0s h SER 33 CO 0.00 0.21 -0.39 -0.26 -1.14 0.00 0.00 176.83 175.26 2c0s h PHE 34 N 0.00 0.95 -0.18 3.45 0.04 -1.05 -2.67 116.94 117.48 2c0s h PHE 34 Ca -0.00 -0.28 -0.04 0.00 2.80 0.00 0.00 57.97 60.45 2c0s h PHE 34 Cb 0.42 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 2c0s h PHE 34 CO 0.00 1.05 -0.08 0.77 -0.60 0.00 0.00 178.31 179.46 2c0s h SER 35 N 0.65 0.26 0.10 2.17 0.02 -1.17 -1.06 113.55 114.52 2c0s h SER 35 Ca 0.05 -0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 2c0s h SER 35 Cb 0.95 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 2c0s h SER 35 CO 0.09 0.37 -0.19 1.56 -1.14 0.00 0.00 176.83 177.52 2c0s h GLN 36 N 0.27 0.17 -0.35 3.45 4.20 -1.10 -0.76 115.11 120.99 2c0s h GLN 36 Ca 0.06 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 2c0s h GLN 36 Cb 0.31 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 2c0s h GLN 36 CO 0.02 0.37 0.09 0.93 -0.67 0.00 0.00 178.83 179.56 2c0s h GLU 37 N 0.16 0.56 -0.91 1.46 5.08 -0.94 -1.51 114.58 118.48 2c0s h GLU 37 Ca 0.03 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2c0s h GLU 37 Cb 0.44 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 2c0s h GLU 37 CO 0.03 0.60 0.61 -0.07 -1.00 0.00 0.00 179.01 179.18 2c0s h LEU 38 N 0.42 1.05 -0.59 1.33 -0.00 -1.14 0.10 115.31 116.47 2c0s h LEU 38 Ca 0.11 -0.03 0.06 0.00 -0.00 0.00 0.00 57.88 58.02 2c0s h LEU 38 Cb 0.29 -0.26 -0.05 0.00 -0.00 0.00 0.00 40.66 40.63 2c0s h LEU 38 CO -0.00 0.75 0.30 -0.78 -0.00 0.00 0.00 178.44 178.71 2c0s h ASP 39 N 1.23 0.42 -0.13 -0.43 1.82 -0.82 0.61 116.42 119.13 2c0s h ASP 39 Ca 0.34 0.04 -0.15 0.00 -0.39 0.00 0.00 57.03 56.86 2c0s h ASP 39 Cb -0.14 -0.04 0.01 0.00 0.68 0.00 0.00 39.33 39.84 2c0s h ASP 39 CO -0.08 0.28 -0.51 0.03 -1.61 0.00 0.00 179.24 177.35 2c0s h ARG 40 N 0.56 0.57 -0.67 0.28 2.47 -0.55 -2.38 114.38 114.66 2c0s h ARG 40 Ca 0.27 -0.44 -0.01 0.00 -1.26 0.00 0.00 59.98 58.54 2c0s h ARG 40 Cb 0.19 0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.57 2c0s h ARG 40 CO -0.19 1.07 0.39 -0.07 0.56 0.00 0.00 179.97 181.72 2c0s h LEU 41 N 0.19 0.82 -0.72 3.04 3.38 -0.57 0.13 115.31 121.59 2c0s h LEU 41 Ca -0.03 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.89 2c0s h LEU 41 Cb 1.14 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 2c0s h LEU 41 CO 0.11 0.66 0.45 0.25 0.09 0.00 0.00 178.44 180.00 2c0s h LEU 42 N 0.91 0.74 -0.91 1.67 5.85 -0.90 -2.38 115.31 120.30 2c0s h LEU 42 Ca 0.24 -0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.85 2c0s h LEU 42 Cb 0.01 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2c0s h LEU 42 CO -0.04 0.51 -0.41 -1.13 -0.34 0.00 0.00 178.44 177.04 2c0s h ASN 43 N 0.88 0.29 -0.45 1.25 -0.00 -0.77 -2.97 115.58 113.82 2c0s h ASN 43 Ca 0.29 -0.12 0.06 0.00 -0.00 0.00 0.00 56.30 56.52 2c0s h ASN 43 Cb 0.02 -0.08 -0.03 0.00 -0.00 0.00 0.00 38.32 38.23 2c0s h ASN 43 CO -0.11 0.68 0.30 -0.07 -0.00 0.00 0.00 177.43 178.23 2c0s h LEU 44 N 0.24 0.33 -0.18 0.34 3.38 -0.22 0.33 115.31 119.53 2c0s h LEU 44 Ca 0.02 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2c0s h LEU 44 Cb 0.82 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2c0s h LEU 44 CO 0.07 0.22 0.11 -0.07 0.09 0.00 0.00 178.44 178.86 2c0s h LEU 45 N 0.38 0.21 -0.14 1.67 3.38 -1.47 0.16 115.31 119.51 2c0s h LEU 45 Ca 0.19 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 2c0s h LEU 45 Cb 0.29 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2c0s h LEU 45 CO -0.05 0.18 -0.11 0.40 0.09 0.00 0.00 178.44 178.95 2c0s h ILE 46 N 0.22 1.34 -0.38 1.22 2.04 -1.36 -3.21 117.51 117.38 2c0s h ILE 46 Ca 0.06 -1.24 0.04 0.00 1.00 0.00 0.00 64.86 64.73 2c0s h ILE 46 Cb 0.01 1.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.91 2c0s h ILE 46 CO -0.01 0.36 0.16 -0.08 0.00 0.00 0.00 178.15 178.58 2c0s h GLU 47 N -0.05 0.32 -0.35 2.37 4.22 -0.26 -2.03 114.58 118.81 2c0s h GLU 47 Ca 0.02 -0.02 0.07 0.00 0.08 0.00 0.00 59.36 59.52 2c0s h GLU 47 Cb 0.62 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.73 2c0s h GLU 47 CO 0.03 0.21 -0.14 1.25 -2.18 0.00 0.00 179.01 178.19 2c0s h LEU 48 N 0.33 -0.47 -0.66 1.64 7.12 -0.68 0.07 115.31 122.67 2c0s h LEU 48 Ca 0.17 0.12 -0.14 0.00 0.13 0.00 0.00 57.88 58.16 2c0s h LEU 48 Cb 0.12 0.27 -0.02 0.00 -0.53 0.00 0.00 40.66 40.51 2c0s h LEU 48 CO -0.15 -0.17 -0.65 0.07 -0.13 0.00 0.00 178.44 177.41 2c0s h LYS 49 N -0.07 0.12 0.00 1.25 2.10 -1.58 -3.03 116.57 115.36 2c0s h LYS 49 Ca 0.17 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.74 2c0s h LYS 49 Cb 0.33 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.68 2c0s h LYS 49 CO -0.40 0.72 0.00 1.15 -2.00 0.00 0.00 179.45 178.92 2c0s h THR 50 N 0.08 0.00 0.00 0.07 2.02 -0.30 -2.85 112.91 111.93 2c0s h THR 50 Ca -0.01 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 2c0s h THR 50 Cb 1.15 1.42 -0.00 0.00 -1.74 0.00 0.00 68.15 68.98 2c0s h THR 50 CO 0.09 0.00 -0.05 0.11 0.37 0.00 0.00 175.52 176.04 2c0s h LYS 51 N 0.00 0.00 -0.76 6.66 1.57 -0.94 -3.46 116.57 119.64 2c0s h LYS 51 Ca 0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 2c0s h LYS 51 Cb 0.57 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.81 2c0s h LYS 51 CO 0.00 0.05 -0.15 0.36 -0.57 0.00 0.00 179.45 179.14 2c0s n LYS 52 N -3.54 -1.60 -0.19 3.15 2.85 -1.08 -4.75 118.16 113.00 2c0s n LYS 52 Ca -0.02 0.62 0.11 0.00 -1.05 0.00 0.00 58.31 57.97 2c0s n LYS 52 Cb 0.16 -4.69 0.25 0.00 -0.65 0.00 0.00 35.03 30.09 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 -0.82 2.40 -2.15 -1.58 2.85 -1.26 -4.67 118.16 112.93 2c0s n LYS 53 Ca -0.08 -2.12 -0.37 0.00 -1.05 0.00 0.00 58.31 54.69 2c0s n LYS 53 Cb 0.41 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.29 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 -1.49 3.55 0.60 -1.58 1.81 -1.26 -4.90 118.95 115.68 2c0s s ARG 54 Ca 0.38 1.85 0.32 0.00 -1.72 0.00 0.00 55.73 56.57 2c0s s ARG 54 Cb 0.22 -2.31 1.89 0.00 -0.45 0.00 0.00 34.95 34.30 2c0s s ARG 54 CO 0.31 -0.74 2.25 1.88 -0.68 0.00 0.00 175.30 178.31 2c0s h TYR 55 N 1.79 0.00 0.00 -0.53 0.05 -2.01 0.95 116.97 117.22 2c0s h TYR 55 Ca -0.50 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.28 2c0s h TYR 55 Cb 1.26 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.00 2c0s h TYR 55 CO 0.51 0.00 0.00 -1.13 -1.05 0.00 0.00 178.16 176.49 2c0s n SER 56 N -3.72 0.45 -0.23 3.88 3.41 -1.26 -1.63 113.62 114.52 2c0s n SER 56 Ca -0.02 0.61 0.11 0.00 -0.26 0.00 0.00 58.87 59.31 2c0s n SER 56 Cb 0.12 -0.71 0.05 0.00 -0.26 0.00 0.00 64.21 63.41 2c0s n SER 56 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2c0s n LEU 57 N -2.00 1.33 0.00 1.04 7.99 0.33 -4.60 117.00 121.09 2c0s n LEU 57 Ca 0.02 -0.49 0.00 0.00 -0.01 0.00 0.00 56.01 55.53 2c0s n LEU 57 Cb 0.20 -0.05 0.00 0.00 -0.11 0.00 0.00 43.42 43.46 2c0s n LEU 57 CO 0.17 0.27 0.00 0.18 -1.51 0.00 0.00 177.39 176.51 2c0s n LEU 58 N -0.80 0.00 -3.69 2.23 7.99 -0.68 -5.02 117.00 117.02 2c0s n LEU 58 Ca 0.08 0.00 -0.25 0.00 -0.01 0.00 0.00 56.01 55.82 2c0s n LEU 58 Cb 0.39 -0.30 0.00 0.00 -0.11 0.00 0.00 43.42 43.40 2c0s n LEU 58 CO 0.34 -0.34 -0.19 -0.62 -1.51 0.00 0.00 177.39 175.07 2c0s n GLU 59 N -2.17 -0.97 0.00 3.23 1.02 -0.64 -4.87 120.64 116.24 2c0s n GLU 59 Ca 0.00 0.39 0.14 0.00 -0.02 0.00 0.00 57.16 57.67 2c0s n GLU 59 Cb 0.00 -1.75 0.43 0.00 -0.02 0.00 0.00 31.44 30.10 2c0s n GLU 59 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2c0s n HIS 60 N -2.83 0.00 -2.50 -0.32 8.25 -1.26 -4.74 115.22 111.82 2c0s n HIS 60 Ca -0.21 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.83 2c0s n HIS 60 Cb 0.52 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.60 2c0s n HIS 60 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2c0s s HIS 61 N -2.02 2.51 -0.33 4.41 -3.43 -1.26 -4.97 115.29 110.19 2c0s s HIS 61 Ca 0.35 0.50 -0.07 0.00 -0.80 0.00 0.00 55.06 55.04 2c0s s HIS 61 Cb 0.21 -4.45 0.03 0.00 -1.43 0.00 0.00 32.58 26.94 2c0s s HIS 61 CO 0.34 -1.71 0.10 -1.01 -2.00 0.00 0.00 174.74 170.46 2c0s s HIS 62 N 5.28 3.23 -0.93 0.38 0.09 -1.26 -5.02 115.29 117.06 2c0s s HIS 62 Ca 0.48 -1.32 -0.19 0.00 -0.00 0.00 0.00 55.06 54.03 2c0s s HIS 62 Cb -0.09 -2.27 0.13 0.00 -0.00 0.00 0.00 32.58 30.34 2c0s s HIS 62 CO 0.27 -0.70 1.14 -1.58 -0.00 0.00 0.00 174.74 173.88 2c0s s HIS 63 N 1.43 3.09 -2.50 1.40 5.04 -1.26 -5.32 115.29 117.17 2c0s s HIS 63 Ca -0.01 -1.36 0.28 0.00 -1.54 0.00 0.00 55.06 52.44 2c0s s HIS 63 Cb -0.19 -4.30 1.05 0.00 0.04 0.00 0.00 32.58 29.18 2c0s s HIS 63 CO 0.03 -1.51 1.75 0.72 -2.34 0.00 0.00 174.74 173.38