#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 4.70 0.29 6.12 -0.87 -1.26 -4.99 114.94 118.92 2c0s s ASN 2 Ca 0.00 -0.13 0.07 0.00 -1.57 0.00 0.00 52.86 51.23 2c0s s ASN 2 Cb 0.00 -1.67 0.42 0.00 -0.02 0.00 0.00 41.25 39.98 2c0s s ASN 2 CO 0.00 0.20 1.67 -0.37 -2.57 0.00 0.00 177.10 176.03 2c0s h VAL 3 N 5.02 1.34 -0.44 1.60 -1.51 -2.05 -0.45 116.25 119.75 2c0s h VAL 3 Ca -0.33 -1.70 -0.06 0.00 -1.23 0.00 0.00 66.70 63.38 2c0s h VAL 3 Cb 1.19 1.83 -0.02 0.00 -2.13 0.00 0.00 31.29 32.16 2c0s h VAL 3 CO 0.60 0.50 0.04 0.00 -1.23 0.00 0.00 177.57 177.49 2c0s h THR 4 N 0.14 1.22 0.00 7.19 1.03 -1.99 -0.94 112.91 119.57 2c0s h THR 4 Ca 0.01 -0.85 -0.14 0.00 -0.01 0.00 0.00 66.41 65.42 2c0s h THR 4 Cb 0.91 0.83 -0.02 0.00 -1.07 0.00 0.00 68.15 68.81 2c0s h THR 4 CO 0.07 0.30 -0.67 0.11 -0.01 0.00 0.00 175.52 175.32 2c0s h LYS 5 N 0.66 0.00 -0.25 0.00 1.57 -1.84 0.52 116.57 117.23 2c0s h LYS 5 Ca 0.14 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 2c0s h LYS 5 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2c0s h LYS 5 CO 0.01 0.67 -0.01 1.25 -0.57 0.00 0.00 179.45 180.80 2c0s h LEU 6 N 0.00 0.45 -1.14 2.94 5.85 -0.56 -1.74 115.31 121.12 2c0s h LEU 6 Ca -0.01 -0.32 -0.08 0.00 0.84 0.00 0.00 57.88 58.31 2c0s h LEU 6 Cb 1.43 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 2c0s h LEU 6 CO 0.09 0.66 -0.31 -1.13 -0.34 0.00 0.00 178.44 177.41 2c0s h ASN 7 N 0.22 0.20 -0.83 1.25 -0.00 -1.11 -2.14 115.58 113.17 2c0s h ASN 7 Ca 0.07 -0.07 0.04 0.00 -0.00 0.00 0.00 56.30 56.34 2c0s h ASN 7 Cb 0.44 -0.06 -0.05 0.00 -0.00 0.00 0.00 38.32 38.66 2c0s h ASN 7 CO 0.02 0.51 0.55 -0.78 -0.00 0.00 0.00 177.43 177.73 2c0s h ASP 8 N 0.18 0.88 -0.41 1.15 1.82 -0.60 -0.45 116.42 118.99 2c0s h ASP 8 Ca 0.02 -0.01 -0.08 0.00 -0.39 0.00 0.00 57.03 56.57 2c0s h ASP 8 Cb 0.65 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 40.44 2c0s h ASP 8 CO 0.05 0.60 -0.04 0.03 -1.61 0.00 0.00 179.24 178.27 2c0s h ARG 9 N 1.02 0.83 -0.29 0.28 3.08 -0.65 -0.58 114.38 118.06 2c0s h ARG 9 Ca 0.33 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2c0s h ARG 9 Cb 0.05 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2c0s h ARG 9 CO -0.10 0.86 0.19 0.82 -1.07 0.00 0.00 179.97 180.66 2c0s h ILE 10 N 0.76 1.08 -0.47 2.04 2.04 -1.02 0.29 117.51 122.24 2c0s h ILE 10 Ca 0.14 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.86 2c0s h ILE 10 Cb 0.52 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 2c0s h ILE 10 CO 0.03 0.08 0.27 -0.33 0.00 0.00 0.00 178.15 178.19 2c0s h GLU 11 N 0.38 0.51 -0.03 2.37 4.39 -0.57 0.17 114.58 121.81 2c0s h GLU 11 Ca 0.10 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.69 2c0s h GLU 11 Cb -0.03 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 2c0s h GLU 11 CO -0.02 0.34 -0.36 0.00 -1.16 0.00 0.00 179.01 177.81 2c0s h ALA 12 N 1.22 1.35 0.02 3.43 0.00 -0.89 -2.09 119.26 122.29 2c0s h ALA 12 Ca 0.19 -0.34 -0.22 0.00 0.00 0.00 0.00 54.91 54.54 2c0s h ALA 12 Cb 0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2c0s h ALA 12 CO -0.10 0.48 -0.96 -0.22 0.00 0.00 0.00 179.25 178.45 2c0s h LYS 13 N 0.05 0.30 -0.10 0.00 1.63 0.10 -1.12 116.57 117.43 2c0s h LYS 13 Ca 0.00 -0.34 0.00 0.00 -0.85 0.00 0.00 60.65 59.46 2c0s h LYS 13 Cb 0.67 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.39 2c0s h LYS 13 CO 0.05 1.06 0.05 0.87 -3.45 0.00 0.00 179.45 178.02 2c0s h LYS 14 N 0.15 0.10 -0.17 1.90 1.57 -0.38 0.90 116.57 120.65 2c0s h LYS 14 Ca -0.07 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 2c0s h LYS 14 Cb 1.60 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.88 2c0s h LYS 14 CO 0.16 0.07 -0.17 0.87 -0.57 0.00 0.00 179.45 179.81 2c0s h LYS 15 N 0.11 0.28 -0.24 3.15 1.79 -1.29 0.12 116.57 120.48 2c0s h LYS 15 Ca 0.04 -0.08 -0.10 0.00 -2.18 0.00 0.00 60.65 58.33 2c0s h LYS 15 Cb 0.00 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.62 2c0s h LYS 15 CO -0.02 0.45 -0.25 1.49 -1.08 0.00 0.00 179.45 180.04 2c0s h GLU 16 N 0.26 0.60 -0.79 3.15 4.81 -0.85 -2.34 114.58 119.42 2c0s h GLU 16 Ca 0.05 -0.32 -0.02 0.00 -0.13 0.00 0.00 59.36 58.94 2c0s h GLU 16 Cb 0.46 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 2c0s h GLU 16 CO 0.03 0.92 0.43 -0.07 -0.73 0.00 0.00 179.01 179.58 2c0s h LEU 17 N 0.31 0.99 -0.72 1.64 3.38 -0.26 -0.90 115.31 119.74 2c0s h LEU 17 Ca 0.04 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 57.96 2c0s h LEU 17 Cb 0.81 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 2c0s h LEU 17 CO 0.06 0.81 0.42 0.40 0.09 0.00 0.00 178.44 180.22 2c0s h ILE 18 N 1.10 0.99 -0.68 1.22 2.04 -0.57 0.27 117.51 121.89 2c0s h ILE 18 Ca 0.28 -0.26 -0.08 0.00 1.00 0.00 0.00 64.86 65.80 2c0s h ILE 18 Cb 0.04 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.25 2c0s h ILE 18 CO -0.04 0.14 0.12 0.22 0.00 0.00 0.00 178.15 178.59 2c0s h TYR 19 N 0.77 1.18 -0.55 1.37 3.20 -0.91 -1.43 116.97 120.60 2c0s h TYR 19 Ca 0.32 -0.16 -0.09 0.00 3.14 0.00 0.00 58.73 61.94 2c0s h TYR 19 Cb 0.18 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 2c0s h TYR 19 CO -0.06 0.98 -0.02 -0.07 -1.64 0.00 0.00 178.16 177.34 2c0s h LEU 20 N 1.04 0.93 -1.46 2.82 3.38 -0.10 -0.09 115.31 121.83 2c0s h LEU 20 Ca 0.21 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2c0s h LEU 20 Cb 0.42 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2c0s h LEU 20 CO 0.01 1.00 -0.05 0.58 0.09 0.00 0.00 178.44 180.07 2c0s h VAL 21 N 0.87 1.15 0.15 1.22 2.07 -0.20 0.51 116.25 122.03 2c0s h VAL 21 Ca 0.16 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 2c0s h VAL 21 Cb 0.54 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2c0s h VAL 21 CO 0.03 0.21 -0.07 -0.33 0.02 0.00 0.00 177.57 177.42 2c0s h GLU 22 N 0.28 -0.19 0.03 1.57 4.39 -0.30 -2.50 114.58 117.86 2c0s h GLU 22 Ca 0.06 0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.70 2c0s h GLU 22 Cb 0.28 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 28.98 2c0s h GLU 22 CO 0.01 0.18 -0.31 0.87 -1.16 0.00 0.00 179.01 178.60 2c0s h LYS 23 N -0.61 0.16 0.00 2.33 1.79 -0.86 -3.40 116.57 115.99 2c0s h LYS 23 Ca -0.02 -0.21 -0.38 0.00 -2.18 0.00 0.00 60.65 57.86 2c0s h LYS 23 Cb 0.46 0.07 -0.07 0.00 -1.58 0.00 0.00 32.23 31.11 2c0s h LYS 23 CO 0.03 1.01 -2.43 0.66 -1.08 0.00 0.00 179.45 177.65 2c0s n TYR 24 N -4.45 0.00 0.00 -1.35 4.01 0.16 -5.09 117.16 110.45 2c0s n TYR 24 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 2c0s n TYR 24 Cb 0.57 -0.96 0.00 0.00 -0.31 0.00 0.00 39.34 38.64 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 2.22 0.24 3.64 2.72 0.00 -0.41 -4.95 105.19 108.65 2c0s n GLY 25 Ca -0.45 -1.86 -0.29 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 0.00 1.87 -1.87 1.61 -0.71 -1.26 -3.91 117.98 113.70 2c0s s PHE 26 Ca 0.00 -1.08 0.00 0.00 -1.04 0.00 0.00 56.93 54.81 2c0s s PHE 26 Cb 0.00 -1.42 0.00 0.00 -1.21 0.00 0.00 43.02 40.39 2c0s s PHE 26 CO 0.00 0.01 0.00 0.25 -1.34 0.00 0.00 175.22 174.14 2c0s n THR 27 N -1.07 -0.05 -4.13 -4.49 -2.24 -1.26 -4.96 114.28 96.09 2c0s n THR 27 Ca -0.12 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.31 2c0s n THR 27 Cb 0.66 -1.75 -0.10 0.00 -2.10 0.00 0.00 70.33 67.05 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 -2.53 3.23 0.24 4.78 5.04 -1.26 -4.99 115.29 119.79 2c0s s HIS 28 Ca 0.00 0.07 -0.05 0.00 -1.54 0.00 0.00 55.06 53.54 2c0s s HIS 28 Cb 0.00 -2.00 0.44 0.00 0.04 0.00 0.00 32.58 31.07 2c0s s HIS 28 CO 0.00 0.23 1.70 0.45 -2.34 0.00 0.00 174.74 174.78 2c0s h HIS 29 N 6.28 0.33 -0.05 3.88 3.86 -1.99 0.20 115.15 127.67 2c0s h HIS 29 Ca -0.40 0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 58.85 2c0s h HIS 29 Cb 1.18 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 29.61 2c0s h HIS 29 CO 0.58 -0.04 0.02 0.87 0.86 0.00 0.00 177.93 180.22 2c0s h LYS 30 N 0.31 0.07 -0.52 2.45 1.57 -1.99 -1.16 116.57 117.29 2c0s h LYS 30 Ca 0.40 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.17 2c0s h LYS 30 Cb 0.66 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 2c0s h LYS 30 CO -0.47 0.18 0.32 0.28 -0.57 0.00 0.00 179.45 179.19 2c0s h VAL 31 N -0.06 1.16 -0.60 0.50 2.07 -1.57 -0.80 116.25 116.94 2c0s h VAL 31 Ca 0.02 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 67.22 2c0s h VAL 31 Cb 0.14 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 2c0s h VAL 31 CO -0.00 0.16 0.34 0.40 0.02 0.00 0.00 177.57 178.49 2c0s h ILE 32 N 0.70 1.01 -0.67 4.57 2.04 -0.52 0.21 117.51 124.85 2c0s h ILE 32 Ca 0.19 -0.23 -0.07 0.00 1.00 0.00 0.00 64.86 65.76 2c0s h ILE 32 Cb -0.01 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.34 2c0s h ILE 32 CO -0.04 0.12 0.16 0.28 0.00 0.00 0.00 178.15 178.67 2c0s h SER 33 N 0.66 1.00 0.03 1.72 0.02 -0.53 -0.77 113.55 115.68 2c0s h SER 33 Ca 0.25 -0.21 -0.16 0.00 -0.84 0.00 0.00 61.79 60.84 2c0s h SER 33 Cb 0.10 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 2c0s h SER 33 CO -0.14 0.97 -0.53 -0.26 -1.14 0.00 0.00 176.83 175.73 2c0s h PHE 34 N 1.01 0.68 -0.73 3.45 0.04 -0.53 -2.86 116.94 118.00 2c0s h PHE 34 Ca 0.21 -0.23 -0.04 0.00 2.80 0.00 0.00 57.97 60.71 2c0s h PHE 34 Cb 0.36 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.35 2c0s h PHE 34 CO 0.03 0.96 0.29 1.03 -0.60 0.00 0.00 178.31 180.01 2c0s h SER 35 N 0.42 1.01 0.23 2.17 0.87 -0.15 -1.56 113.55 116.54 2c0s h SER 35 Ca 0.01 -0.17 -0.08 0.00 -1.23 0.00 0.00 61.79 60.32 2c0s h SER 35 Cb 1.06 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.75 2c0s h SER 35 CO 0.10 0.90 -0.33 1.56 -0.53 0.00 0.00 176.83 178.53 2c0s h GLN 36 N 1.05 0.16 -0.42 2.24 4.20 -1.09 -1.96 115.11 119.29 2c0s h GLN 36 Ca 0.24 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.79 2c0s h GLN 36 Cb 0.21 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 2c0s h GLN 36 CO -0.02 0.48 -0.16 0.93 -0.67 0.00 0.00 178.83 179.39 2c0s h GLU 37 N 0.14 0.79 -0.45 1.46 5.08 -1.18 -1.03 114.58 119.39 2c0s h GLU 37 Ca 0.02 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2c0s h GLU 37 Cb 0.66 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2c0s h GLU 37 CO 0.05 0.90 0.28 1.25 -1.00 0.00 0.00 179.01 180.49 2c0s h LEU 38 N 0.70 0.53 -0.80 1.33 7.12 -0.59 0.20 115.31 123.80 2c0s h LEU 38 Ca 0.11 -0.04 -0.06 0.00 0.13 0.00 0.00 57.88 58.02 2c0s h LEU 38 Cb 0.66 -0.13 -0.03 0.00 -0.53 0.00 0.00 40.66 40.63 2c0s h LEU 38 CO 0.05 0.42 0.22 -0.78 -0.13 0.00 0.00 178.44 178.22 2c0s h ASP 39 N 0.60 1.04 -0.37 1.25 3.58 -1.16 -1.70 116.42 119.67 2c0s h ASP 39 Ca 0.16 -0.19 -0.05 0.00 0.42 0.00 0.00 57.03 57.37 2c0s h ASP 39 Cb -0.03 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.73 2c0s h ASP 39 CO -0.03 0.97 0.06 -0.09 -2.88 0.00 0.00 179.24 177.27 2c0s h ARG 40 N 1.07 0.69 -0.64 0.28 9.65 -0.49 -0.45 114.38 124.49 2c0s h ARG 40 Ca 0.23 -0.15 -0.04 0.00 -1.10 0.00 0.00 59.98 58.92 2c0s h ARG 40 Cb 0.30 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.75 2c0s h ARG 40 CO -0.01 0.67 0.23 -0.07 2.80 0.00 0.00 179.97 183.60 2c0s h LEU 41 N 0.67 0.90 -0.76 3.80 3.38 0.11 0.24 115.31 123.64 2c0s h LEU 41 Ca 0.14 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2c0s h LEU 41 Cb 0.33 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 2c0s h LEU 41 CO 0.01 0.84 0.43 -0.07 0.09 0.00 0.00 178.44 179.74 2c0s h LEU 42 N 0.91 0.94 -1.37 1.67 -0.00 -0.93 -2.01 115.31 114.51 2c0s h LEU 42 Ca 0.21 -0.09 0.00 0.00 -0.00 0.00 0.00 57.88 58.00 2c0s h LEU 42 Cb 0.24 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2c0s h LEU 42 CO -0.01 0.76 0.00 0.78 -0.00 0.00 0.00 178.44 179.97 2c0s h ASN 43 N 1.05 0.00 -0.45 -0.43 2.35 -0.37 -2.09 115.58 115.65 2c0s h ASN 43 Ca 0.27 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.94 2c0s h ASN 43 Cb 0.01 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 2c0s h ASN 43 CO -0.05 0.00 -0.04 -0.07 -1.65 0.00 0.00 177.43 175.63 2c0s h LEU 44 N 0.00 0.81 -0.88 1.61 3.38 -0.19 0.38 115.31 120.42 2c0s h LEU 44 Ca 0.00 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.57 2c0s h LEU 44 Cb 0.33 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2c0s h LEU 44 CO 0.00 0.94 0.04 -0.07 0.09 0.00 0.00 178.44 179.45 2c0s h LEU 45 N 0.66 0.84 -0.51 1.67 -0.00 -1.43 0.20 115.31 116.73 2c0s h LEU 45 Ca 0.12 -0.19 -0.09 0.00 -0.00 0.00 0.00 57.88 57.72 2c0s h LEU 45 Cb 0.55 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 40.97 2c0s h LEU 45 CO 0.03 0.88 -0.03 0.40 -0.00 0.00 0.00 178.44 179.71 2c0s h ILE 46 N 0.82 1.27 -0.03 1.22 2.04 -1.28 -2.95 117.51 118.59 2c0s h ILE 46 Ca 0.16 -1.14 -0.14 0.00 1.00 0.00 0.00 64.86 64.74 2c0s h ILE 46 Cb 0.43 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 2c0s h ILE 46 CO 0.02 0.40 -0.61 -0.08 0.00 0.00 0.00 178.15 177.87 2c0s h GLU 47 N 0.79 0.12 -0.63 2.37 4.81 0.24 -2.78 114.58 119.51 2c0s h GLU 47 Ca 0.14 -0.09 0.06 0.00 -0.13 0.00 0.00 59.36 59.34 2c0s h GLU 47 Cb 0.57 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.93 2c0s h GLU 47 CO 0.03 0.70 0.42 -0.07 -0.73 0.00 0.00 179.01 179.36 2c0s h LEU 48 N 0.09 0.57 -0.49 1.64 3.38 -0.45 -0.93 115.31 119.12 2c0s h LEU 48 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2c0s h LEU 48 Cb 1.10 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 2c0s h LEU 48 CO 0.09 0.38 0.19 0.50 0.09 0.00 0.00 178.44 179.68 2c0s h LYS 49 N 0.65 0.73 0.00 1.13 1.63 -1.40 -2.64 116.57 116.67 2c0s h LYS 49 Ca 0.27 -0.14 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 2c0s h LYS 49 Cb 0.24 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 2c0s h LYS 49 CO -0.08 0.66 0.00 1.15 -3.45 0.00 0.00 179.45 177.73 2c0s h THR 50 N 0.65 0.00 0.00 1.00 2.02 -1.15 -3.05 112.91 112.38 2c0s h THR 50 Ca 0.16 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.98 2c0s h THR 50 Cb 0.21 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 2c0s h THR 50 CO -0.01 0.00 0.00 0.11 0.37 0.00 0.00 175.52 175.99 2c0s h LYS 51 N 0.00 0.00 0.00 6.66 1.79 -0.98 -3.46 116.57 120.58 2c0s h LYS 51 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2c0s h LYS 51 Cb 0.42 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 2c0s h LYS 51 CO 0.00 0.00 0.00 0.36 -1.08 0.00 0.00 179.45 178.73 2c0s n LYS 52 N -2.54 0.00 0.00 3.15 2.85 -1.15 -4.59 118.16 115.88 2c0s n LYS 52 Ca 0.00 0.00 0.15 0.00 -1.05 0.00 0.00 58.31 57.41 2c0s n LYS 52 Cb 0.17 -3.19 0.72 0.00 -0.65 0.00 0.00 35.03 32.07 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 -1.20 0.64 -3.27 -1.58 2.85 -1.26 -4.68 118.16 109.67 2c0s n LYS 53 Ca 0.00 -0.12 -0.36 0.00 -1.05 0.00 0.00 58.31 56.78 2c0s n LYS 53 Cb 0.00 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 32.82 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 -2.44 4.09 0.43 -1.58 1.81 -1.26 -4.98 118.95 115.02 2c0s s ARG 54 Ca 0.31 0.63 0.11 0.00 -1.72 0.00 0.00 55.73 55.07 2c0s s ARG 54 Cb 0.20 -2.95 0.94 0.00 -0.45 0.00 0.00 34.95 32.69 2c0s s ARG 54 CO 0.45 0.47 2.02 1.88 -0.68 0.00 0.00 175.30 179.44 2c0s h TYR 55 N 3.64 0.24 0.00 -0.53 0.05 -1.94 -2.47 116.97 115.95 2c0s h TYR 55 Ca -0.48 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.29 2c0s h TYR 55 Cb 1.20 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.86 2c0s h TYR 55 CO 0.65 0.25 0.00 -1.13 -1.05 0.00 0.00 178.16 176.88 2c0s n SER 56 N -4.40 0.48 0.01 3.88 3.41 -1.26 -0.33 113.62 115.41 2c0s n SER 56 Ca -0.00 0.64 -0.09 0.00 -0.26 0.00 0.00 58.87 59.16 2c0s n SER 56 Cb 0.17 -0.74 -0.14 0.00 -0.26 0.00 0.00 64.21 63.24 2c0s n SER 56 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2c0s h LEU 57 N 0.00 0.04 0.00 1.04 6.46 -1.71 -3.29 115.31 117.86 2c0s h LEU 57 Ca 0.00 -0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.66 2c0s h LEU 57 Cb 0.25 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.16 2c0s h LEU 57 CO 0.00 1.07 -0.15 -0.07 -0.62 0.00 0.00 178.44 178.66 2c0s h LEU 58 N 0.01 0.00 -7.77 2.25 4.07 -1.49 -3.40 115.31 108.98 2c0s h LEU 58 Ca -0.22 -0.44 -0.77 0.00 0.08 0.00 0.00 57.88 56.53 2c0s h LEU 58 Cb 1.96 0.00 -0.28 0.00 1.08 0.00 0.00 40.66 43.42 2c0s h LEU 58 CO 0.10 0.81 0.01 -1.61 -1.08 0.00 0.00 178.44 176.67 2c0s s GLU 59 N -1.95 3.41 -0.46 1.13 2.02 0.55 -4.99 118.70 118.42 2c0s s GLU 59 Ca -0.11 -2.50 -0.09 0.00 0.02 0.00 0.00 54.97 52.28 2c0s s GLU 59 Cb -0.01 -4.29 0.11 0.00 0.10 0.00 0.00 34.13 30.04 2c0s s GLU 59 CO 0.35 -1.27 0.32 -1.58 0.02 0.00 0.00 175.26 173.10 2c0s s HIS 60 N 0.07 3.40 -0.20 1.61 2.46 -1.24 -4.16 115.29 117.23 2c0s s HIS 60 Ca 0.18 -1.75 -0.23 0.00 0.47 0.00 0.00 55.06 53.72 2c0s s HIS 60 Cb -0.12 -3.33 -0.02 0.00 -0.13 0.00 0.00 32.58 28.99 2c0s s HIS 60 CO -0.08 -0.95 0.75 -1.01 -2.47 0.00 0.00 174.74 170.99 2c0s s HIS 61 N 1.39 3.37 -0.53 3.88 3.76 -1.26 -5.00 115.29 120.89 2c0s s HIS 61 Ca 0.05 1.08 -0.17 0.00 -0.15 0.00 0.00 55.06 55.87 2c0s s HIS 61 Cb -0.25 -2.94 0.10 0.00 1.11 0.00 0.00 32.58 30.59 2c0s s HIS 61 CO 0.00 -0.27 0.55 -1.58 -0.85 0.00 0.00 174.74 172.59 2c0s s HIS 62 N 2.29 3.15 -0.38 1.40 2.46 -1.26 -5.01 115.29 117.94 2c0s s HIS 62 Ca 0.33 -1.01 -0.17 0.00 0.47 0.00 0.00 55.06 54.69 2c0s s HIS 62 Cb -0.16 -3.67 0.00 0.00 -0.13 0.00 0.00 32.58 28.63 2c0s s HIS 62 CO 0.10 -1.04 0.43 -1.58 -2.47 0.00 0.00 174.74 170.18 2c0s s HIS 63 N 2.04 3.18 0.00 3.88 2.46 -1.26 -5.36 115.29 120.24 2c0s s HIS 63 Ca 0.07 -0.13 0.00 0.00 0.47 0.00 0.00 55.06 55.48 2c0s s HIS 63 Cb -0.26 -2.83 0.00 0.00 -0.13 0.00 0.00 32.58 29.37 2c0s s HIS 63 CO 0.06 -0.57 0.00 1.58 -2.47 0.00 0.00 174.74 173.34