#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 1.94 0.30 3.17 3.84 -1.26 -4.58 114.94 118.35 2c0s s ASN 2 Ca 0.00 -0.33 0.08 0.00 0.21 0.00 0.00 52.86 52.82 2c0s s ASN 2 Cb 0.00 -0.79 0.46 0.00 -0.55 0.00 0.00 41.25 40.37 2c0s s ASN 2 CO 0.00 0.08 1.69 -0.37 -2.79 0.00 0.00 177.10 175.70 2c0s h VAL 3 N 5.73 1.34 0.00 -5.21 -1.51 -1.91 -1.57 116.25 113.12 2c0s h VAL 3 Ca -0.30 -1.66 -0.13 0.00 -1.23 0.00 0.00 66.70 63.38 2c0s h VAL 3 Cb 1.19 1.82 -0.02 0.00 -2.13 0.00 0.00 31.29 32.15 2c0s h VAL 3 CO 0.48 0.49 -0.64 0.00 -1.23 0.00 0.00 177.57 176.67 2c0s h THR 4 N 0.12 1.18 -0.37 7.19 1.03 -1.98 0.67 112.91 120.75 2c0s h THR 4 Ca 0.01 -2.43 -0.14 0.00 -0.01 0.00 0.00 66.41 63.84 2c0s h THR 4 Cb 0.88 2.42 -0.01 0.00 -1.07 0.00 0.00 68.15 70.38 2c0s h THR 4 CO 0.07 0.62 -0.30 0.11 -0.01 0.00 0.00 175.52 176.01 2c0s h LYS 5 N 0.00 0.86 0.01 0.00 1.79 -1.95 -1.09 116.57 116.18 2c0s h LYS 5 Ca -0.01 -0.43 0.01 0.00 -2.18 0.00 0.00 60.65 58.04 2c0s h LYS 5 Cb 1.37 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.02 2c0s h LYS 5 CO 0.08 1.07 -0.03 1.25 -1.08 0.00 0.00 179.45 180.74 2c0s h LEU 6 N 0.66 -0.09 -1.01 2.94 5.85 -0.96 -0.38 115.31 122.31 2c0s h LEU 6 Ca 0.07 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.91 2c0s h LEU 6 Cb 0.88 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.87 2c0s h LEU 6 CO 0.08 -0.05 0.64 -1.13 -0.34 0.00 0.00 178.44 177.63 2c0s h ASN 7 N -0.06 0.94 -0.19 1.25 -0.73 -0.79 -1.20 115.58 114.81 2c0s h ASN 7 Ca 0.01 0.04 -0.02 0.00 1.87 0.00 0.00 56.30 58.20 2c0s h ASN 7 Cb 0.08 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 38.51 2c0s h ASN 7 CO -0.03 0.52 0.02 -0.78 -0.37 0.00 0.00 177.43 176.79 2c0s h ASP 8 N 1.02 0.30 0.21 1.15 3.58 -0.59 0.00 116.42 122.09 2c0s h ASP 8 Ca 0.49 -0.27 -0.03 0.00 0.42 0.00 0.00 57.03 57.64 2c0s h ASP 8 Cb 0.45 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.41 2c0s h ASP 8 CO -0.25 0.49 -0.14 0.03 -2.88 0.00 0.00 179.24 176.49 2c0s h ARG 9 N 0.09 0.00 -0.13 0.28 -0.00 -0.43 0.11 114.38 114.30 2c0s h ARG 9 Ca 0.06 0.00 -0.08 0.00 -0.50 0.00 0.00 59.98 59.46 2c0s h ARG 9 Cb 0.33 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.30 2c0s h ARG 9 CO 0.00 0.14 -0.23 0.82 0.00 0.00 0.00 179.97 180.71 2c0s h ILE 10 N 0.00 1.37 -0.37 2.04 2.04 -0.88 -2.38 117.51 119.34 2c0s h ILE 10 Ca -0.00 -1.48 0.03 0.00 1.00 0.00 0.00 64.86 64.41 2c0s h ILE 10 Cb 0.29 2.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.35 2c0s h ILE 10 CO 0.02 0.43 0.18 -0.08 0.00 0.00 0.00 178.15 178.70 2c0s h GLU 11 N -0.02 0.35 -0.23 2.37 4.81 0.04 0.18 114.58 122.08 2c0s h GLU 11 Ca 0.01 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 2c0s h GLU 11 Cb 0.80 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 2c0s h GLU 11 CO 0.05 0.23 -0.15 0.00 -0.73 0.00 0.00 179.01 178.42 2c0s h ALA 12 N 1.20 1.32 0.01 2.92 0.00 -0.90 -2.11 119.26 121.70 2c0s h ALA 12 Ca 0.16 -0.26 -0.24 0.00 0.00 0.00 0.00 54.91 54.57 2c0s h ALA 12 Cb 0.08 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.76 2c0s h ALA 12 CO -0.12 0.45 -0.99 -0.22 0.00 0.00 0.00 179.25 178.37 2c0s h LYS 13 N 0.36 0.49 -0.16 0.00 1.63 -0.70 -0.40 116.57 117.79 2c0s h LYS 13 Ca 0.07 -0.54 0.05 0.00 -0.85 0.00 0.00 60.65 59.37 2c0s h LYS 13 Cb 0.48 0.16 -0.06 0.00 -0.60 0.00 0.00 32.23 32.21 2c0s h LYS 13 CO 0.03 1.18 -0.21 0.87 -3.45 0.00 0.00 179.45 177.87 2c0s h LYS 14 N 0.27 -0.24 -0.81 1.90 1.57 -0.45 0.14 116.57 118.95 2c0s h LYS 14 Ca -0.10 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 2c0s h LYS 14 Cb 1.64 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.96 2c0s h LYS 14 CO 0.18 -0.16 0.40 0.87 -0.57 0.00 0.00 179.45 180.17 2c0s h LYS 15 N -0.25 1.17 -0.48 3.15 1.79 -1.21 -0.18 116.57 120.57 2c0s h LYS 15 Ca 0.11 -0.17 -0.03 0.00 -2.18 0.00 0.00 60.65 58.38 2c0s h LYS 15 Cb 0.41 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.83 2c0s h LYS 15 CO -0.31 0.90 0.17 1.49 -1.08 0.00 0.00 179.45 180.61 2c0s h GLU 16 N 1.15 0.73 -0.39 3.15 4.81 -0.81 -2.08 114.58 121.14 2c0s h GLU 16 Ca 0.28 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2c0s h GLU 16 Cb 0.11 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2c0s h GLU 16 CO -0.04 0.68 0.25 1.25 -0.73 0.00 0.00 179.01 180.41 2c0s h LEU 17 N 0.63 0.46 -0.65 1.64 7.12 -0.17 -1.51 115.31 122.83 2c0s h LEU 17 Ca 0.16 -0.04 0.06 0.00 0.13 0.00 0.00 57.88 58.19 2c0s h LEU 17 Cb 0.24 -0.12 -0.06 0.00 -0.53 0.00 0.00 40.66 40.20 2c0s h LEU 17 CO -0.01 0.36 0.34 0.40 -0.13 0.00 0.00 178.44 179.40 2c0s h ILE 18 N 0.52 0.94 -0.88 4.05 2.04 -0.84 0.00 117.51 123.34 2c0s h ILE 18 Ca 0.14 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 2c0s h ILE 18 Cb -0.03 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.26 2c0s h ILE 18 CO -0.03 0.11 0.46 0.22 0.00 0.00 0.00 178.15 178.92 2c0s h TYR 19 N 0.63 1.22 -0.03 1.37 3.20 -0.89 -2.29 116.97 120.18 2c0s h TYR 19 Ca 0.30 -0.04 -0.14 0.00 3.14 0.00 0.00 58.73 61.99 2c0s h TYR 19 Cb 0.22 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 38.09 2c0s h TYR 19 CO -0.09 0.85 -0.60 -0.07 -1.64 0.00 0.00 178.16 176.61 2c0s h LEU 20 N 1.23 0.13 -1.14 2.82 3.38 -0.25 -2.66 115.31 118.82 2c0s h LEU 20 Ca 0.31 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 2c0s h LEU 20 Cb 0.05 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2c0s h LEU 20 CO -0.05 0.70 0.12 0.58 0.09 0.00 0.00 178.44 179.88 2c0s h VAL 21 N 0.09 1.21 -0.32 1.22 2.07 -0.48 0.33 116.25 120.36 2c0s h VAL 21 Ca -0.01 -0.74 -0.08 0.00 0.82 0.00 0.00 66.70 66.69 2c0s h VAL 21 Cb 1.08 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2c0s h VAL 21 CO 0.09 0.27 -0.13 -0.33 0.02 0.00 0.00 177.57 177.49 2c0s h GLU 22 N 0.70 0.65 0.19 1.57 4.39 -1.14 -1.14 114.58 119.80 2c0s h GLU 22 Ca 0.16 -0.27 -0.33 0.00 0.34 0.00 0.00 59.36 59.26 2c0s h GLU 22 Cb 0.26 -0.02 0.02 0.00 -0.10 0.00 0.00 28.75 28.90 2c0s h GLU 22 CO -0.00 0.85 -1.57 0.87 -1.16 0.00 0.00 179.01 178.00 2c0s h LYS 23 N 0.41 0.40 0.00 2.33 1.57 -1.22 -3.42 116.57 116.65 2c0s h LYS 23 Ca 0.07 -0.69 -0.25 0.00 -1.87 0.00 0.00 60.65 57.92 2c0s h LYS 23 Cb 0.65 0.26 -0.04 0.00 0.08 0.00 0.00 32.23 33.17 2c0s h LYS 23 CO 0.04 1.31 -1.93 0.66 -0.57 0.00 0.00 179.45 178.96 2c0s n TYR 24 N -3.60 0.00 0.00 -1.35 4.01 0.11 -5.11 117.16 111.23 2c0s n TYR 24 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 2c0s n TYR 24 Cb 1.08 -0.64 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 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 2.64 2.58 0.16 2.72 0.00 -0.43 -4.59 105.19 108.26 2c0s n GLY 25 Ca -0.28 -1.82 0.13 0.00 0.00 0.00 0.00 46.02 44.05 2c0s n GLY 25 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2c0s h PHE 26 N 0.00 0.00 -0.01 1.61 3.57 -1.88 -2.56 116.94 117.67 2c0s h PHE 26 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2c0s h PHE 26 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 2c0s h PHE 26 CO 0.00 0.00 -0.05 2.41 -2.23 0.00 0.00 178.31 178.44 2c0s n THR 27 N -2.55 0.00 -2.66 4.41 -1.04 -1.26 -4.30 114.28 106.88 2c0s n THR 27 Ca 0.04 -0.13 -0.41 0.00 -2.04 0.00 0.00 64.05 61.51 2c0s n THR 27 Cb 0.38 0.11 -0.05 0.00 -1.82 0.00 0.00 70.33 68.95 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 -2.17 3.78 0.23 -1.42 5.65 -0.96 -4.92 115.29 115.49 2c0s s HIS 28 Ca 0.37 1.77 -0.07 0.00 0.25 0.00 0.00 55.06 57.38 2c0s s HIS 28 Cb 0.21 -3.11 0.41 0.00 -1.18 0.00 0.00 32.58 28.91 2c0s s HIS 28 CO 0.40 0.01 1.68 0.45 -0.65 0.00 0.00 174.74 176.63 2c0s h HIS 29 N 5.06 0.17 -0.65 3.88 3.86 -1.89 -0.13 115.15 125.45 2c0s h HIS 29 Ca -0.44 0.04 -0.08 0.00 -1.16 0.00 0.00 60.37 58.74 2c0s h HIS 29 Cb 1.21 0.03 -0.03 0.00 1.06 0.00 0.00 27.41 29.69 2c0s h HIS 29 CO 0.63 -0.11 0.10 0.87 0.86 0.00 0.00 177.93 180.27 2c0s h LYS 30 N 0.22 1.09 -0.48 2.45 1.57 -1.95 -0.07 116.57 119.40 2c0s h LYS 30 Ca 0.39 -0.30 -0.11 0.00 -1.87 0.00 0.00 60.65 58.76 2c0s h LYS 30 Cb 0.65 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 2c0s h LYS 30 CO -0.52 1.01 -0.13 0.28 -0.57 0.00 0.00 179.45 179.51 2c0s h VAL 31 N 1.01 1.27 -0.03 0.50 2.07 -1.43 0.14 116.25 119.78 2c0s h VAL 31 Ca 0.20 -1.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.46 2c0s h VAL 31 Cb 0.45 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2c0s h VAL 31 CO 0.01 0.43 0.01 0.40 0.02 0.00 0.00 177.57 178.45 2c0s h ILE 32 N 0.80 1.12 -0.47 4.57 2.04 -0.80 -0.56 117.51 124.21 2c0s h ILE 32 Ca 0.12 -0.35 -0.07 0.00 1.00 0.00 0.00 64.86 65.57 2c0s h ILE 32 Cb 0.66 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 2c0s h ILE 32 CO 0.05 0.09 0.02 0.77 0.00 0.00 0.00 178.15 179.08 2c0s h SER 33 N -0.10 0.72 0.24 1.72 4.64 -0.71 -1.13 113.55 118.93 2c0s h SER 33 Ca 0.01 -0.16 -0.11 0.00 -0.47 0.00 0.00 61.79 61.05 2c0s h SER 33 Cb 0.14 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 2c0s h SER 33 CO -0.00 0.78 -0.44 -0.26 -0.87 0.00 0.00 176.83 176.05 2c0s h PHE 34 N 0.72 0.30 -0.49 4.77 0.04 -0.63 -1.48 116.94 120.17 2c0s h PHE 34 Ca 0.14 -0.09 -0.07 0.00 2.80 0.00 0.00 57.97 60.76 2c0s h PHE 34 Cb 0.41 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.48 2c0s h PHE 34 CO 0.02 0.65 0.03 0.77 -0.60 0.00 0.00 178.31 179.18 2c0s h SER 35 N 0.21 0.76 -0.34 2.17 0.02 -0.26 0.29 113.55 116.40 2c0s h SER 35 Ca 0.02 -0.17 -0.10 0.00 -0.84 0.00 0.00 61.79 60.70 2c0s h SER 35 Cb 0.86 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 2c0s h SER 35 CO 0.07 0.80 -0.13 1.56 -1.14 0.00 0.00 176.83 177.99 2c0s h GLN 36 N 0.75 0.78 -0.36 3.45 4.20 -0.85 0.55 115.11 123.63 2c0s h GLN 36 Ca 0.15 -0.27 -0.11 0.00 0.06 0.00 0.00 58.65 58.48 2c0s h GLN 36 Cb 0.41 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 2c0s h GLN 36 CO 0.01 0.87 -0.22 1.49 -0.67 0.00 0.00 178.83 180.32 2c0s h GLU 37 N 0.70 0.79 -0.69 1.46 4.81 -0.71 -0.01 114.58 120.93 2c0s h GLU 37 Ca 0.11 -0.36 -0.04 0.00 -0.13 0.00 0.00 59.36 58.94 2c0s h GLU 37 Cb 0.62 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 2c0s h GLU 37 CO 0.04 0.99 0.28 1.25 -0.73 0.00 0.00 179.01 180.84 2c0s h LEU 38 N 0.58 0.94 -0.94 1.64 5.85 -0.22 -2.04 115.31 121.13 2c0s h LEU 38 Ca 0.08 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 2c0s h LEU 38 Cb 0.78 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 2c0s h LEU 38 CO 0.06 0.85 0.57 -0.78 -0.34 0.00 0.00 178.44 178.81 2c0s h ASP 39 N 0.97 1.12 -0.37 1.25 3.58 -0.70 -0.98 116.42 121.29 2c0s h ASP 39 Ca 0.23 -0.07 0.01 0.00 0.42 0.00 0.00 57.03 57.63 2c0s h ASP 39 Cb 0.20 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 2c0s h ASP 39 CO -0.02 0.86 0.22 -0.09 -2.88 0.00 0.00 179.24 177.33 2c0s h ARG 40 N 1.29 0.44 -0.10 0.28 2.43 -0.31 0.35 114.38 118.76 2c0s h ARG 40 Ca 0.34 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 59.32 2c0s h ARG 40 Cb -0.06 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 2c0s h ARG 40 CO -0.06 0.29 -0.61 -0.07 -1.51 0.00 0.00 179.97 178.01 2c0s h LEU 41 N 0.46 0.40 -0.70 3.80 4.07 -1.15 -1.33 115.31 120.85 2c0s h LEU 41 Ca 0.15 -0.23 -0.07 0.00 0.08 0.00 0.00 57.88 57.81 2c0s h LEU 41 Cb -0.01 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 41.59 2c0s h LEU 41 CO -0.06 0.91 0.15 0.25 -1.08 0.00 0.00 178.44 178.61 2c0s h LEU 42 N 0.26 1.08 -1.09 1.67 6.46 -0.77 -2.22 115.31 120.69 2c0s h LEU 42 Ca -0.01 -0.24 -0.00 0.00 -0.12 0.00 0.00 57.88 57.51 2c0s h LEU 42 Cb 1.13 -0.28 -0.04 0.00 -0.73 0.00 0.00 40.66 40.74 2c0s h LEU 42 CO 0.10 1.04 0.53 -1.13 -0.62 0.00 0.00 178.44 178.36 2c0s h ASN 43 N 1.07 1.01 -0.95 1.25 -0.73 -0.06 -2.48 115.58 114.69 2c0s h ASN 43 Ca 0.22 -0.05 0.09 0.00 1.87 0.00 0.00 56.30 58.43 2c0s h ASN 43 Cb 0.40 -0.25 -0.07 0.00 0.27 0.00 0.00 38.32 38.66 2c0s h ASN 43 CO 0.01 0.77 0.59 -0.07 -0.37 0.00 0.00 177.43 178.35 2c0s h LEU 44 N 1.17 0.90 -0.27 0.34 3.38 -0.62 0.42 115.31 120.65 2c0s h LEU 44 Ca 0.31 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.34 2c0s h LEU 44 Cb -0.07 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 2c0s h LEU 44 CO -0.06 0.54 0.07 -0.07 0.09 0.00 0.00 178.44 179.00 2c0s h LEU 45 N 1.01 0.04 -0.27 1.67 3.38 -1.27 0.29 115.31 120.17 2c0s h LEU 45 Ca 0.44 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.34 2c0s h LEU 45 Cb 0.31 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2c0s h LEU 45 CO -0.22 0.06 -0.23 0.40 0.09 0.00 0.00 178.44 178.54 2c0s h ILE 46 N 0.17 1.31 0.06 1.22 2.04 -1.26 -2.26 117.51 118.78 2c0s h ILE 46 Ca 0.12 -1.38 -0.00 0.00 1.00 0.00 0.00 64.86 64.60 2c0s h ILE 46 Cb 0.11 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 2c0s h ILE 46 CO -0.15 0.44 -0.03 -0.08 0.00 0.00 0.00 178.15 178.33 2c0s h GLU 47 N 0.36 -0.08 -0.16 2.37 4.81 0.12 0.16 114.58 122.15 2c0s h GLU 47 Ca 0.05 0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.14 2c0s h GLU 47 Cb 0.78 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 2c0s h GLU 47 CO 0.06 0.06 -0.51 -0.07 -0.73 0.00 0.00 179.01 177.82 2c0s h LEU 48 N -0.21 0.47 -0.97 1.64 -0.00 -1.01 -2.78 115.31 112.46 2c0s h LEU 48 Ca -0.01 -0.24 -0.10 0.00 -0.00 0.00 0.00 57.88 57.53 2c0s h LEU 48 Cb 0.18 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.69 2c0s h LEU 48 CO 0.01 0.90 -0.50 0.11 -0.00 0.00 0.00 178.44 178.96 2c0s h LYS 49 N 0.34 0.00 0.00 1.13 1.57 -1.23 0.34 116.57 118.72 2c0s h LYS 49 Ca 0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2c0s h LYS 49 Cb 1.01 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.32 2c0s h LYS 49 CO 0.09 0.50 -0.11 0.00 -0.57 0.00 0.00 179.45 179.36 2c0s h THR 50 N 0.00 0.21 0.00 -0.16 1.03 -0.48 -3.30 112.91 110.21 2c0s h THR 50 Ca -0.00 -1.09 0.00 0.00 -0.01 0.00 0.00 66.41 65.30 2c0s h THR 50 Cb 0.91 1.92 0.00 0.00 -1.07 0.00 0.00 68.15 69.91 2c0s h THR 50 CO 0.06 0.11 -0.43 0.29 -0.01 0.00 0.00 175.52 175.54 2c0s n LYS 51 N -3.16 0.39 0.00 0.00 5.02 -1.06 -4.91 118.16 114.44 2c0s n LYS 51 Ca 0.02 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 2c0s n LYS 51 Cb 0.50 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 2c0s n LYS 51 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2c0s n LYS 52 N -4.29 0.00 -0.16 1.97 2.85 0.12 -4.51 118.16 114.13 2c0s n LYS 52 Ca -0.06 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.23 2c0s n LYS 52 Cb 0.23 -1.47 0.11 0.00 -0.65 0.00 0.00 35.03 33.25 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 -0.32 1.72 -4.84 -1.58 2.85 -1.26 -4.82 118.16 109.91 2c0s n LYS 53 Ca 0.00 -0.86 -0.28 0.00 -1.05 0.00 0.00 58.31 56.12 2c0s n LYS 53 Cb 0.00 -1.34 -0.15 0.00 -0.65 0.00 0.00 35.03 32.89 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 -1.65 1.64 0.55 -1.58 1.81 -1.26 -4.98 118.95 113.48 2c0s s ARG 54 Ca 0.16 -0.98 0.27 0.00 -1.72 0.00 0.00 55.73 53.46 2c0s s ARG 54 Cb 0.09 -1.74 1.46 0.00 -0.45 0.00 0.00 34.95 34.31 2c0s s ARG 54 CO 0.09 0.45 1.98 1.88 -0.68 0.00 0.00 175.30 179.02 2c0s h TYR 55 N 4.98 0.00 -0.41 -0.53 0.05 -1.96 -0.30 116.97 118.80 2c0s h TYR 55 Ca -0.44 0.00 0.12 0.00 0.05 0.00 0.00 58.73 58.46 2c0s h TYR 55 Cb 1.15 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.87 2c0s h TYR 55 CO 0.47 0.00 0.53 0.77 -1.05 0.00 0.00 178.16 178.88 2c0s h SER 56 N 0.00 0.00 0.11 3.88 0.02 -1.94 0.32 113.55 115.95 2c0s h SER 56 Ca 0.24 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 2c0s h SER 56 Cb 1.05 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.58 2c0s h SER 56 CO -0.00 0.00 -0.08 0.25 -1.14 0.00 0.00 176.83 175.86 2c0s h LEU 57 N 0.00 0.00 0.00 5.07 5.85 -1.34 -1.81 115.31 123.08 2c0s h LEU 57 Ca 0.19 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.86 2c0s h LEU 57 Cb 1.25 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 2c0s h LEU 57 CO -0.00 0.08 -1.18 0.18 -0.34 0.00 0.00 178.44 177.18 2c0s n LEU 58 N -4.18 1.93 -3.49 2.25 4.32 0.80 -4.69 117.00 113.95 2c0s n LEU 58 Ca -0.03 0.33 -0.40 0.00 -0.02 0.00 0.00 56.01 55.89 2c0s n LEU 58 Cb 0.16 -0.75 -0.01 0.00 -1.62 0.00 0.00 43.42 41.20 2c0s n LEU 58 CO 0.33 -0.17 2.75 -1.84 -1.22 0.00 0.00 177.39 177.23 2c0s n GLU 59 N -4.43 3.96 0.05 3.23 0.28 0.69 -3.88 120.64 120.54 2c0s n GLU 59 Ca -0.19 -2.92 -0.02 0.00 -0.16 0.00 0.00 57.16 53.88 2c0s n GLU 59 Cb 0.56 -2.80 -0.08 0.00 1.43 0.00 0.00 31.44 30.55 2c0s n GLU 59 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 177.13 178.09 2c0s h HIS 60 N 5.04 0.00 -2.99 -1.84 2.07 -1.58 -3.39 115.15 112.46 2c0s h HIS 60 Ca 0.71 0.00 -0.21 0.00 -2.85 0.00 0.00 60.37 58.02 2c0s h HIS 60 Cb 0.37 0.00 -0.31 0.00 2.57 0.00 0.00 27.41 30.04 2c0s h HIS 60 CO 1.65 0.67 -0.52 -1.01 -3.07 0.00 0.00 177.93 175.65 2c0s s HIS 61 N -2.86 -0.34 0.08 6.12 3.76 -1.26 -4.95 115.29 115.84 2c0s s HIS 61 Ca -0.02 0.82 0.00 0.00 -0.15 0.00 0.00 55.06 55.71 2c0s s HIS 61 Cb 0.08 -0.01 0.00 0.00 1.11 0.00 0.00 32.58 33.77 2c0s s HIS 61 CO 0.80 -0.27 0.00 1.58 -0.85 0.00 0.00 174.74 176.00 2c0s n HIS 62 N 4.67 -1.03 -4.26 1.40 -0.00 -1.26 -0.52 115.22 114.21 2c0s n HIS 62 Ca -0.18 0.54 -0.24 0.00 -0.00 0.00 0.00 57.72 57.84 2c0s n HIS 62 Cb 0.52 -1.96 -0.07 0.00 -0.00 0.00 0.00 29.99 28.47 2c0s n HIS 62 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2c0s s HIS 63 N -1.24 2.75 -2.96 1.57 0.00 -1.26 -4.36 115.29 109.79 2c0s s HIS 63 Ca 0.00 -0.20 0.24 0.00 -3.00 0.00 0.00 55.06 52.11 2c0s s HIS 63 Cb 0.00 -1.26 0.25 0.00 -4.00 0.00 0.00 32.58 27.58 2c0s s HIS 63 CO 0.00 0.58 1.30 0.72 -1.00 0.00 0.00 174.74 176.34