#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 6.31 0.51 7.83 0.02 -1.26 -4.86 114.94 123.48 2c0s s ASN 2 Ca 0.00 -2.03 0.29 0.00 -1.02 0.00 0.00 52.86 50.09 2c0s s ASN 2 Cb 0.00 -2.20 1.29 0.00 0.02 0.00 0.00 41.25 40.36 2c0s s ASN 2 CO 0.00 -0.78 1.98 -0.37 0.02 0.00 0.00 177.10 177.95 2c0s h VAL 3 N 5.61 0.40 -0.18 1.60 -1.51 -2.02 -1.68 116.25 118.48 2c0s h VAL 3 Ca -0.19 -0.73 -0.07 0.00 -1.23 0.00 0.00 66.70 64.48 2c0s h VAL 3 Cb 1.08 1.52 -0.01 0.00 -2.13 0.00 0.00 31.29 31.75 2c0s h VAL 3 CO 0.96 0.12 -0.20 0.00 -1.23 0.00 0.00 177.57 177.22 2c0s h THR 4 N 0.00 1.23 0.01 7.19 1.03 -1.98 0.23 112.91 120.62 2c0s h THR 4 Ca -0.00 -1.04 -0.20 0.00 -0.01 0.00 0.00 66.41 65.16 2c0s h THR 4 Cb 0.51 1.32 -0.03 0.00 -1.07 0.00 0.00 68.15 68.89 2c0s h THR 4 CO 0.02 0.32 -0.95 0.11 -0.01 0.00 0.00 175.52 175.01 2c0s h LYS 5 N 0.28 0.03 -0.31 0.00 1.79 -1.73 0.16 116.57 116.79 2c0s h LYS 5 Ca 0.05 -0.04 -0.08 0.00 -2.18 0.00 0.00 60.65 58.40 2c0s h LYS 5 Cb 0.52 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.18 2c0s h LYS 5 CO 0.03 0.95 -0.12 1.25 -1.08 0.00 0.00 179.45 180.49 2c0s h LEU 6 N 0.01 0.64 -0.86 2.94 5.85 -1.01 -1.84 115.31 121.05 2c0s h LEU 6 Ca -0.02 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 2c0s h LEU 6 Cb 1.66 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.47 2c0s h LEU 6 CO 0.13 0.89 0.51 -1.13 -0.34 0.00 0.00 178.44 178.50 2c0s h ASN 7 N 0.39 1.03 -0.50 1.25 -1.24 -0.48 -1.92 115.58 114.11 2c0s h ASN 7 Ca 0.07 -0.07 0.03 0.00 0.71 0.00 0.00 56.30 57.04 2c0s h ASN 7 Cb 0.63 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 39.39 2c0s h ASN 7 CO 0.04 0.80 0.33 -0.78 -1.29 0.00 0.00 177.43 176.53 2c0s h ASP 8 N 1.18 0.49 -0.46 1.15 3.58 -0.68 -0.11 116.42 121.56 2c0s h ASP 8 Ca 0.31 -0.01 -0.12 0.00 0.42 0.00 0.00 57.03 57.62 2c0s h ASP 8 Cb -0.04 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 2c0s h ASP 8 CO -0.06 0.34 -0.19 0.03 -2.88 0.00 0.00 179.24 176.49 2c0s h ARG 9 N 0.57 0.97 -0.60 0.28 3.08 -0.55 -2.28 114.38 115.86 2c0s h ARG 9 Ca 0.20 -0.40 -0.03 0.00 0.07 0.00 0.00 59.98 59.82 2c0s h ARG 9 Cb 0.09 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 2c0s h ARG 9 CO -0.05 1.07 0.24 0.82 -1.07 0.00 0.00 179.97 180.98 2c0s h ILE 10 N 0.84 1.23 -0.44 2.04 2.04 -0.75 -1.19 117.51 121.27 2c0s h ILE 10 Ca 0.12 -0.71 0.06 0.00 1.00 0.00 0.00 64.86 65.33 2c0s h ILE 10 Cb 0.76 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 2c0s h ILE 10 CO 0.06 0.28 0.14 -0.33 0.00 0.00 0.00 178.15 178.29 2c0s h GLU 11 N 0.83 0.29 0.00 2.37 4.39 -0.83 0.20 114.58 121.82 2c0s h GLU 11 Ca 0.20 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.80 2c0s h GLU 11 Cb 0.20 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 2c0s h GLU 11 CO -0.02 0.19 -0.41 0.00 -1.16 0.00 0.00 179.01 177.61 2c0s h ALA 12 N 1.30 1.11 0.03 3.43 0.00 -1.12 -2.53 119.26 121.48 2c0s h ALA 12 Ca 0.21 -0.37 -0.22 0.00 0.00 0.00 0.00 54.91 54.53 2c0s h ALA 12 Cb 0.22 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2c0s h ALA 12 CO -0.23 0.51 -0.96 -0.22 0.00 0.00 0.00 179.25 178.35 2c0s h LYS 13 N 0.00 0.20 -0.13 0.00 1.63 -0.05 -2.18 116.57 116.04 2c0s h LYS 13 Ca -0.00 -0.26 0.01 0.00 -0.85 0.00 0.00 60.65 59.55 2c0s h LYS 13 Cb 0.84 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.54 2c0s h LYS 13 CO 0.05 1.02 0.03 0.87 -3.45 0.00 0.00 179.45 177.98 2c0s h LYS 14 N 0.10 0.09 -1.00 1.90 1.57 -0.33 0.45 116.57 119.34 2c0s h LYS 14 Ca -0.06 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.75 2c0s h LYS 14 Cb 1.63 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.86 2c0s h LYS 14 CO 0.15 0.06 0.66 0.87 -0.57 0.00 0.00 179.45 180.61 2c0s h LYS 15 N 0.09 1.24 -0.50 3.15 1.57 -1.33 0.17 116.57 120.96 2c0s h LYS 15 Ca 0.06 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 2c0s h LYS 15 Cb 0.04 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 2c0s h LYS 15 CO -0.07 0.82 0.04 1.49 -0.57 0.00 0.00 179.45 181.16 2c0s h GLU 16 N 1.27 0.86 -0.63 3.15 4.81 -1.06 -2.63 114.58 120.35 2c0s h GLU 16 Ca 0.40 -0.25 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 2c0s h GLU 16 Cb -0.01 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 2c0s h GLU 16 CO -0.12 0.87 0.19 1.25 -0.73 0.00 0.00 179.01 180.47 2c0s h LEU 17 N 0.73 0.92 -0.17 1.64 5.85 0.31 -2.05 115.31 122.54 2c0s h LEU 17 Ca 0.15 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.70 2c0s h LEU 17 Cb 0.46 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 2c0s h LEU 17 CO 0.02 0.89 -0.17 0.40 -0.34 0.00 0.00 178.44 179.25 2c0s h ILE 18 N 0.91 0.55 -0.72 4.05 1.08 -0.49 0.24 117.51 123.12 2c0s h ILE 18 Ca 0.20 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.75 2c0s h ILE 18 Cb 0.31 0.55 -0.06 0.00 -3.07 0.00 0.00 36.82 34.55 2c0s h ILE 18 CO -0.00 0.00 0.40 0.22 -0.69 0.00 0.00 178.15 178.08 2c0s h TYR 19 N -0.19 0.73 -0.06 1.37 3.20 -1.29 -1.69 116.97 119.04 2c0s h TYR 19 Ca 0.11 0.03 -0.21 0.00 3.14 0.00 0.00 58.73 61.80 2c0s h TYR 19 Cb 0.35 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.40 2c0s h TYR 19 CO -0.30 0.32 -0.83 -0.07 -1.64 0.00 0.00 178.16 175.64 2c0s h LEU 20 N 0.71 0.60 -0.65 2.82 3.38 -0.59 -2.88 115.31 118.69 2c0s h LEU 20 Ca 0.34 -0.43 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 2c0s h LEU 20 Cb 0.26 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2c0s h LEU 20 CO -0.22 1.20 0.15 0.58 0.09 0.00 0.00 178.44 180.24 2c0s h VAL 21 N 0.31 1.26 -0.23 1.22 2.07 -0.02 0.19 116.25 121.06 2c0s h VAL 21 Ca -0.06 -0.96 -0.05 0.00 0.82 0.00 0.00 66.70 66.45 2c0s h VAL 21 Cb 1.44 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 2c0s h VAL 21 CO 0.15 0.36 -0.10 -0.33 0.02 0.00 0.00 177.57 177.67 2c0s h GLU 22 N 0.97 0.36 0.12 1.57 4.39 -1.33 1.00 114.58 121.66 2c0s h GLU 22 Ca 0.20 -0.09 -0.20 0.00 0.34 0.00 0.00 59.36 59.61 2c0s h GLU 22 Cb 0.38 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2c0s h GLU 22 CO 0.00 0.47 -0.95 0.87 -1.16 0.00 0.00 179.01 178.25 2c0s h LYS 23 N 0.34 0.26 0.00 2.33 1.57 -1.22 -3.41 116.57 116.44 2c0s h LYS 23 Ca 0.07 -0.44 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 2c0s h LYS 23 Cb 0.39 0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 2c0s h LYS 23 CO 0.02 1.21 -1.55 0.66 -0.57 0.00 0.00 179.45 179.22 2c0s n TYR 24 N -4.11 0.00 0.00 -1.35 4.01 0.64 -5.10 117.16 111.26 2c0s n TYR 24 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 2c0s n TYR 24 Cb 0.82 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.57 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 1.84 -0.39 0.17 2.72 0.00 0.34 -4.29 105.19 105.58 2c0s n GLY 25 Ca -0.03 -1.78 0.11 0.00 0.00 0.00 0.00 46.02 44.33 2c0s n GLY 25 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2c0s h PHE 26 N 0.00 0.00 -0.00 1.61 -0.00 -1.95 -3.27 116.94 113.33 2c0s h PHE 26 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 2c0s h PHE 26 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 35.95 2c0s h PHE 26 CO 0.00 0.02 -0.15 2.41 -0.00 0.00 0.00 178.31 180.60 2c0s n THR 27 N -2.92 0.00 -2.58 0.88 -1.04 -1.26 -4.62 114.28 102.73 2c0s n THR 27 Ca 0.02 -0.05 -0.42 0.00 -2.04 0.00 0.00 64.05 61.56 2c0s n THR 27 Cb 0.55 -0.09 -0.03 0.00 -1.82 0.00 0.00 70.33 68.94 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 -2.62 3.34 0.23 -1.42 5.04 -1.23 -4.93 115.29 113.70 2c0s s HIS 28 Ca 0.24 1.40 -0.06 0.00 -1.54 0.00 0.00 55.06 55.10 2c0s s HIS 28 Cb 0.20 -3.31 0.32 0.00 0.04 0.00 0.00 32.58 29.83 2c0s s HIS 28 CO 0.51 -0.77 1.83 0.45 -2.34 0.00 0.00 174.74 174.42 2c0s h HIS 29 N 7.30 0.86 -0.99 3.88 3.86 -1.92 -1.19 115.15 126.95 2c0s h HIS 29 Ca -0.32 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 2c0s h HIS 29 Cb 1.15 -0.27 -0.05 0.00 1.06 0.00 0.00 27.41 29.30 2c0s h HIS 29 CO 0.72 0.41 0.63 0.87 0.86 0.00 0.00 177.93 181.42 2c0s h LYS 30 N 0.84 1.32 -0.66 2.45 1.57 -1.97 -0.81 116.57 119.30 2c0s h LYS 30 Ca 0.36 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.98 2c0s h LYS 30 Cb 0.22 -0.29 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 2c0s h LYS 30 CO -0.19 0.89 0.15 0.28 -0.57 0.00 0.00 179.45 180.01 2c0s h VAL 31 N 1.35 1.25 -0.49 0.50 2.07 -1.55 0.27 116.25 119.65 2c0s h VAL 31 Ca 0.36 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 2c0s h VAL 31 Cb -0.12 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 2c0s h VAL 31 CO -0.07 0.36 0.29 0.40 0.02 0.00 0.00 177.57 178.56 2c0s h ILE 32 N 0.99 1.15 -0.62 4.57 2.04 -0.77 -0.39 117.51 124.48 2c0s h ILE 32 Ca 0.21 -0.35 -0.05 0.00 1.00 0.00 0.00 64.86 65.67 2c0s h ILE 32 Cb 0.36 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 2c0s h ILE 32 CO 0.00 0.16 0.20 -1.28 0.00 0.00 0.00 178.15 177.23 2c0s h SER 33 N 0.65 0.87 -0.17 1.72 0.87 -0.29 -0.99 113.55 116.20 2c0s h SER 33 Ca 0.17 -0.14 -0.10 0.00 -1.23 0.00 0.00 61.79 60.49 2c0s h SER 33 Cb -0.00 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 2c0s h SER 33 CO -0.03 0.81 -0.22 -0.26 -0.53 0.00 0.00 176.83 176.60 2c0s h PHE 34 N 0.91 0.69 -0.21 2.24 0.04 -0.48 -1.34 116.94 118.79 2c0s h PHE 34 Ca 0.21 -0.15 -0.09 0.00 2.80 0.00 0.00 57.97 60.75 2c0s h PHE 34 Cb 0.25 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 2c0s h PHE 34 CO 0.02 0.79 -0.24 0.77 -0.60 0.00 0.00 178.31 179.04 2c0s h SER 35 N 0.55 0.38 -0.47 2.17 0.02 -0.42 -1.24 113.55 114.53 2c0s h SER 35 Ca 0.08 -0.12 -0.11 0.00 -0.84 0.00 0.00 61.79 60.80 2c0s h SER 35 Cb 0.67 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 2c0s h SER 35 CO 0.05 0.63 -0.12 1.56 -1.14 0.00 0.00 176.83 177.80 2c0s h GLN 36 N 0.34 0.95 -0.22 3.45 1.08 -0.55 -2.00 115.11 118.17 2c0s h GLN 36 Ca 0.05 -0.35 0.00 0.00 -1.45 0.00 0.00 58.65 56.91 2c0s h GLN 36 Cb 0.62 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.97 2c0s h GLN 36 CO 0.04 1.01 0.14 0.93 -0.95 0.00 0.00 178.83 180.00 2c0s h GLU 37 N 0.85 0.27 -0.40 1.46 5.08 -0.64 -0.86 114.58 120.34 2c0s h GLU 37 Ca 0.13 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 2c0s h GLU 37 Cb 0.67 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 2c0s h GLU 37 CO 0.05 0.18 0.21 1.25 -1.00 0.00 0.00 179.01 179.70 2c0s h LEU 38 N 0.28 0.33 -0.51 1.33 7.12 -1.05 0.31 115.31 123.11 2c0s h LEU 38 Ca 0.08 0.01 -0.01 0.00 0.13 0.00 0.00 57.88 58.09 2c0s h LEU 38 Cb -0.02 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 40.03 2c0s h LEU 38 CO -0.02 0.24 0.27 -0.78 -0.13 0.00 0.00 178.44 178.01 2c0s h ASP 39 N 0.43 0.65 -0.31 1.25 3.58 -1.13 -1.25 116.42 119.64 2c0s h ASP 39 Ca 0.16 -0.10 -0.12 0.00 0.42 0.00 0.00 57.03 57.39 2c0s h ASP 39 Cb 0.05 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 2c0s h ASP 39 CO -0.10 0.56 -0.24 0.03 -2.88 0.00 0.00 179.24 176.62 2c0s h ARG 40 N 0.68 0.80 -0.39 0.28 3.08 -0.61 -0.42 114.38 117.80 2c0s h ARG 40 Ca 0.18 -0.33 -0.10 0.00 0.07 0.00 0.00 59.98 59.80 2c0s h ARG 40 Cb 0.07 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2c0s h ARG 40 CO -0.03 0.95 -0.15 -0.07 -1.07 0.00 0.00 179.97 179.60 2c0s h LEU 41 N 0.69 0.72 -0.93 3.04 4.07 -0.79 -2.59 115.31 119.52 2c0s h LEU 41 Ca 0.09 -0.23 -0.09 0.00 0.08 0.00 0.00 57.88 57.74 2c0s h LEU 41 Cb 0.76 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.29 2c0s h LEU 41 CO 0.06 0.88 -0.14 0.25 -1.08 0.00 0.00 178.44 178.41 2c0s h LEU 42 N 0.65 0.62 -1.49 1.67 5.85 -0.80 -2.10 115.31 119.70 2c0s h LEU 42 Ca 0.10 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2c0s h LEU 42 Cb 0.63 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.49 2c0s h LEU 42 CO 0.04 0.78 0.00 0.78 -0.34 0.00 0.00 178.44 179.71 2c0s h ASN 43 N 0.57 0.00 -0.16 1.25 2.35 -0.71 -2.17 115.58 116.72 2c0s h ASN 43 Ca 0.10 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.77 2c0s h ASN 43 Cb 0.57 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 2c0s h ASN 43 CO 0.04 0.00 -0.15 -0.07 -1.65 0.00 0.00 177.43 175.59 2c0s h LEU 44 N 0.00 0.54 -0.14 1.61 3.38 -1.06 0.18 115.31 119.83 2c0s h LEU 44 Ca 0.00 -0.16 -0.18 0.00 0.09 0.00 0.00 57.88 57.63 2c0s h LEU 44 Cb 0.32 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.93 2c0s h LEU 44 CO 0.00 0.72 -0.63 -0.07 0.09 0.00 0.00 178.44 178.54 2c0s h LEU 45 N 0.50 0.80 -1.94 1.67 4.07 -1.50 -3.11 115.31 115.80 2c0s h LEU 45 Ca 0.09 -0.63 -0.01 0.00 0.08 0.00 0.00 57.88 57.41 2c0s h LEU 45 Cb 0.56 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 42.06 2c0s h LEU 45 CO 0.04 1.30 -0.04 0.40 -1.08 0.00 0.00 178.44 179.05 2c0s h ILE 46 N 0.36 1.01 -0.54 1.22 2.04 -1.27 -1.43 117.51 118.90 2c0s h ILE 46 Ca -0.04 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.70 2c0s h ILE 46 Cb 1.27 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 2c0s h ILE 46 CO 0.13 0.04 0.36 -0.08 0.00 0.00 0.00 178.15 178.60 2c0s h GLU 47 N 0.00 0.69 -0.14 2.37 4.57 -0.57 0.28 114.58 121.77 2c0s h GLU 47 Ca -0.00 -0.04 -0.15 0.00 -1.18 0.00 0.00 59.36 57.98 2c0s h GLU 47 Cb 0.07 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 2c0s h GLU 47 CO 0.00 0.46 -0.56 -0.07 -1.18 0.00 0.00 179.01 177.66 2c0s h LEU 48 N 0.71 0.49 -0.15 1.64 -0.00 -1.35 -3.00 115.31 113.65 2c0s h LEU 48 Ca 0.20 -0.26 -0.12 0.00 -0.00 0.00 0.00 57.88 57.70 2c0s h LEU 48 Cb -0.05 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 40.48 2c0s h LEU 48 CO -0.05 0.95 -0.38 0.11 -0.00 0.00 0.00 178.44 179.07 2c0s h LYS 49 N 0.33 0.53 0.00 1.13 1.79 -1.12 -3.13 116.57 116.10 2c0s h LYS 49 Ca 0.00 -0.37 0.00 0.00 -2.18 0.00 0.00 60.65 58.11 2c0s h LYS 49 Cb 1.09 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 2c0s h LYS 49 CO 0.10 0.98 0.00 1.79 -1.08 0.00 0.00 179.45 181.24 2c0s h THR 50 N 0.16 0.00 -0.83 -0.16 1.35 -0.51 -0.15 112.91 112.76 2c0s h THR 50 Ca -0.01 -0.17 -0.01 0.00 -0.55 0.00 0.00 66.41 65.67 2c0s h THR 50 Cb 1.00 0.90 -0.04 0.00 -1.73 0.00 0.00 68.15 68.28 2c0s h THR 50 CO 0.08 0.00 0.46 0.11 -0.25 0.00 0.00 175.52 175.93 2c0s h LYS 51 N 0.00 1.14 0.00 4.72 1.57 -1.46 -3.46 116.57 119.09 2c0s h LYS 51 Ca 0.00 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 2c0s h LYS 51 Cb 0.22 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2c0s h LYS 51 CO 0.00 0.83 0.00 0.36 -0.57 0.00 0.00 179.45 180.07 2c0s n LYS 52 N -4.41 0.00 -0.42 3.15 2.85 -0.07 -4.67 118.16 114.59 2c0s n LYS 52 Ca 0.08 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.30 2c0s n LYS 52 Cb 0.09 -2.68 0.11 0.00 -0.65 0.00 0.00 35.03 31.89 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 1.93 -2.48 -1.58 -0.00 -1.26 -4.69 118.16 108.98 2c0s n LYS 53 Ca 0.00 -1.19 -0.39 0.00 -0.00 0.00 0.00 58.31 56.74 2c0s n LYS 53 Cb 0.00 -1.60 -0.04 0.00 -0.00 0.00 0.00 35.03 33.39 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 -1.45 4.38 0.53 -1.58 0.52 -1.26 -4.85 118.95 115.25 2c0s s ARG 54 Ca 0.22 1.69 0.34 0.00 -0.52 0.00 0.00 55.73 57.45 2c0s s ARG 54 Cb 0.17 -2.87 1.47 0.00 0.52 0.00 0.00 34.95 34.24 2c0s s ARG 54 CO 0.05 0.01 2.00 1.88 0.02 0.00 0.00 175.30 179.27 2c0s h TYR 55 N 3.16 0.00 0.00 -0.53 0.05 -1.90 0.59 116.97 118.33 2c0s h TYR 55 Ca -0.48 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.28 2c0s h TYR 55 Cb 1.22 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.95 2c0s h TYR 55 CO 0.58 0.00 -0.12 0.66 -1.05 0.00 0.00 178.16 178.23 2c0s h SER 56 N 0.00 0.00 0.02 3.88 4.64 -1.80 0.13 113.55 120.43 2c0s h SER 56 Ca 0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.94 2c0s h SER 56 Cb 0.42 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.46 2c0s h SER 56 CO 0.00 0.12 -2.22 0.18 -0.87 0.00 0.00 176.83 174.05 2c0s n LEU 57 N -3.40 2.42 0.00 5.97 4.77 0.08 -4.63 117.00 122.22 2c0s n LEU 57 Ca -0.01 0.16 -0.17 0.00 -0.03 0.00 0.00 56.01 55.96 2c0s n LEU 57 Cb 0.30 -0.93 -0.11 0.00 -2.33 0.00 0.00 43.42 40.35 2c0s n LEU 57 CO 0.30 0.71 0.26 -0.07 -1.33 0.00 0.00 177.39 177.25 2c0s h LEU 58 N -0.45 0.53 0.00 2.23 3.38 -1.22 -3.47 115.31 116.31 2c0s h LEU 58 Ca -0.55 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 56.66 2c0s h LEU 58 Cb 1.74 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.33 2c0s h LEU 58 CO -0.18 1.22 0.00 -0.62 0.09 0.00 0.00 178.44 178.95 2c0s n GLU 59 N -4.22 3.01 -4.09 1.13 -0.58 0.46 -5.06 120.64 111.29 2c0s n GLU 59 Ca -0.10 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.34 2c0s n GLU 59 Cb 0.67 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.47 2c0s n GLU 59 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2c0s s HIS 60 N 1.32 3.10 0.18 -0.32 3.76 -1.26 -4.69 115.29 117.37 2c0s s HIS 60 Ca 0.00 0.02 0.00 0.00 -0.15 0.00 0.00 55.06 54.93 2c0s s HIS 60 Cb 0.00 -1.57 0.00 0.00 1.11 0.00 0.00 32.58 32.12 2c0s s HIS 60 CO 0.00 0.50 0.00 0.72 -0.85 0.00 0.00 174.74 175.11 2c0s n HIS 61 N 0.44 -1.30 1.10 1.40 8.25 -1.26 -4.69 115.22 119.16 2c0s n HIS 61 Ca -0.09 0.69 0.12 0.00 -0.26 0.00 0.00 57.72 58.18 2c0s n HIS 61 Cb 0.52 -1.18 0.16 0.00 1.12 0.00 0.00 29.99 30.61 2c0s n HIS 61 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2c0s n HIS 62 N -3.04 0.00 -4.74 4.41 -0.00 -1.26 -3.65 115.22 106.93 2c0s n HIS 62 Ca -0.02 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.47 2c0s n HIS 62 Cb 0.23 -0.02 -0.15 0.00 -0.00 0.00 0.00 29.99 30.05 2c0s n HIS 62 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2c0s s HIS 63 N -2.26 1.41 0.00 4.41 5.65 -1.26 -4.56 115.29 118.68 2c0s s HIS 63 Ca 0.25 -0.27 0.00 0.00 0.25 0.00 0.00 55.06 55.29 2c0s s HIS 63 Cb 0.19 -0.91 0.00 0.00 -1.18 0.00 0.00 32.58 30.69 2c0s s HIS 63 CO 0.44 -0.02 0.00 1.58 -0.65 0.00 0.00 174.74 176.09