#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c0s n ASN 2 N 0.00 -0.94 0.28 6.12 6.94 -1.26 -4.95 115.26 121.45 2c0s n ASN 2 Ca 0.00 -3.00 0.16 0.00 -0.02 0.00 0.00 54.58 51.72 2c0s n ASN 2 Cb 0.00 0.36 0.79 0.00 -2.36 0.00 0.00 39.78 38.57 2c0s n ASN 2 CO 0.00 0.00 0.00 -0.37 -1.03 0.00 0.00 177.26 175.86 2c0s h VAL 3 N 2.29 0.22 -0.40 3.53 -1.51 -2.02 -1.40 116.25 116.97 2c0s h VAL 3 Ca -0.01 -0.48 -0.15 0.00 -1.23 0.00 0.00 66.70 64.83 2c0s h VAL 3 Cb 0.95 1.38 -0.01 0.00 -2.13 0.00 0.00 31.29 31.49 2c0s h VAL 3 CO 0.40 0.06 -0.34 0.00 -1.23 0.00 0.00 177.57 176.46 2c0s h THR 4 N 0.00 1.27 0.00 7.19 1.03 -1.98 0.12 112.91 120.54 2c0s h THR 4 Ca -0.00 -1.51 -0.20 0.00 -0.01 0.00 0.00 66.41 64.69 2c0s h THR 4 Cb 0.38 1.32 -0.03 0.00 -1.07 0.00 0.00 68.15 68.76 2c0s h THR 4 CO 0.01 0.51 -0.94 0.11 -0.01 0.00 0.00 175.52 175.19 2c0s h LYS 5 N 0.75 0.00 -0.37 0.00 1.79 -1.78 -0.46 116.57 116.50 2c0s h LYS 5 Ca 0.07 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.40 2c0s h LYS 5 Cb 0.92 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.56 2c0s h LYS 5 CO 0.08 0.94 -0.33 1.25 -1.08 0.00 0.00 179.45 180.31 2c0s h LEU 6 N 0.00 0.94 -0.86 2.94 5.85 -1.15 -0.99 115.31 122.03 2c0s h LEU 6 Ca -0.01 -0.46 -0.04 0.00 0.84 0.00 0.00 57.88 58.21 2c0s h LEU 6 Cb 1.69 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.43 2c0s h LEU 6 CO 0.12 1.20 0.31 -1.13 -0.34 0.00 0.00 178.44 178.60 2c0s h ASN 7 N 0.69 1.06 -0.76 1.25 -0.00 -0.66 -1.52 115.58 115.63 2c0s h ASN 7 Ca 0.06 -0.16 0.01 0.00 -0.00 0.00 0.00 56.30 56.22 2c0s h ASN 7 Cb 0.92 -0.27 -0.04 0.00 -0.00 0.00 0.00 38.32 38.92 2c0s h ASN 7 CO 0.08 0.93 0.51 -0.78 -0.00 0.00 0.00 177.43 178.17 2c0s h ASP 8 N 1.12 0.86 -0.38 1.15 3.58 -0.81 0.17 116.42 122.11 2c0s h ASP 8 Ca 0.26 -0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.61 2c0s h ASP 8 Cb 0.21 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 2c0s h ASP 8 CO -0.02 0.61 -0.07 0.03 -2.88 0.00 0.00 179.24 176.91 2c0s h ARG 9 N 1.01 0.71 -0.57 0.28 3.08 -0.44 -0.95 114.38 117.50 2c0s h ARG 9 Ca 0.29 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2c0s h ARG 9 Cb -0.07 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 2c0s h ARG 9 CO -0.07 0.85 0.38 0.82 -1.07 0.00 0.00 179.97 180.88 2c0s h ILE 10 N 0.52 1.15 -0.47 2.04 2.04 -0.67 -2.51 117.51 119.60 2c0s h ILE 10 Ca 0.10 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.69 2c0s h ILE 10 Cb 0.58 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 2c0s h ILE 10 CO 0.03 0.15 0.29 -0.08 0.00 0.00 0.00 178.15 178.54 2c0s h GLU 11 N 0.78 0.57 -0.76 2.37 4.81 -0.48 -0.72 114.58 121.14 2c0s h GLU 11 Ca 0.21 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.49 2c0s h GLU 11 Cb -0.08 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.12 2c0s h GLU 11 CO -0.04 0.37 0.50 0.00 -0.73 0.00 0.00 179.01 179.11 2c0s h ALA 12 N 1.20 1.74 -0.07 2.92 0.00 -0.77 0.30 119.26 124.59 2c0s h ALA 12 Ca 0.18 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 2c0s h ALA 12 Cb -0.01 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.61 2c0s h ALA 12 CO -0.07 0.12 -0.60 0.87 0.00 0.00 0.00 179.25 179.57 2c0s h LYS 13 N 0.74 0.52 0.00 0.00 6.56 -0.98 -2.85 116.57 120.56 2c0s h LYS 13 Ca 0.34 -0.47 -0.12 0.00 -1.06 0.00 0.00 60.65 59.34 2c0s h LYS 13 Cb 0.37 0.11 -0.02 0.00 -0.57 0.00 0.00 32.23 32.13 2c0s h LYS 13 CO -0.12 1.11 -0.59 1.57 -2.06 0.00 0.00 179.45 179.35 2c0s h LYS 14 N 0.10 0.00 -0.21 3.15 2.10 -0.23 0.29 116.57 121.78 2c0s h LYS 14 Ca -0.06 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.47 2c0s h LYS 14 Cb 1.26 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.58 2c0s h LYS 14 CO 0.12 0.59 -0.40 0.87 -2.00 0.00 0.00 179.45 178.63 2c0s h LYS 15 N 0.00 0.48 -0.24 0.07 1.79 -0.51 -1.87 116.57 116.29 2c0s h LYS 15 Ca -0.01 -0.24 -0.19 0.00 -2.18 0.00 0.00 60.65 58.04 2c0s h LYS 15 Cb 1.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 2c0s h LYS 15 CO 0.08 0.80 -0.60 1.49 -1.08 0.00 0.00 179.45 180.14 2c0s h GLU 16 N 0.40 0.81 -0.78 3.15 4.57 -1.19 -2.54 114.58 118.99 2c0s h GLU 16 Ca 0.04 -0.54 0.10 0.00 -1.18 0.00 0.00 59.36 57.77 2c0s h GLU 16 Cb 0.87 0.08 -0.07 0.00 -0.16 0.00 0.00 28.75 29.46 2c0s h GLU 16 CO 0.07 1.17 0.42 -0.07 -1.18 0.00 0.00 179.01 179.43 2c0s h LEU 17 N 0.61 0.58 -0.99 1.64 3.38 -0.75 0.24 115.31 120.02 2c0s h LEU 17 Ca -0.00 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.10 2c0s h LEU 17 Cb 1.20 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.83 2c0s h LEU 17 CO 0.13 0.32 0.63 0.40 0.09 0.00 0.00 178.44 180.02 2c0s h ILE 18 N 0.70 1.05 -0.13 1.22 2.04 -0.92 0.39 117.51 121.88 2c0s h ILE 18 Ca 0.39 -0.38 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 2c0s h ILE 18 Cb 0.39 -0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.30 2c0s h ILE 18 CO -0.27 0.20 -0.09 0.22 0.00 0.00 0.00 178.15 178.22 2c0s h TYR 19 N 1.12 0.34 -0.74 1.37 3.20 -0.99 -2.85 116.97 118.42 2c0s h TYR 19 Ca 0.44 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 62.19 2c0s h TYR 19 Cb 0.23 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 2c0s h TYR 19 CO -0.01 0.66 0.37 -0.07 -1.64 0.00 0.00 178.16 177.48 2c0s h LEU 20 N -0.08 0.94 -0.99 2.82 3.38 0.33 0.29 115.31 121.99 2c0s h LEU 20 Ca 0.02 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 2c0s h LEU 20 Cb 0.59 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2c0s h LEU 20 CO 0.03 0.78 0.07 0.58 0.09 0.00 0.00 178.44 179.98 2c0s h VAL 21 N 1.04 1.23 -0.45 1.22 2.07 -0.28 0.40 116.25 121.48 2c0s h VAL 21 Ca 0.26 -0.89 -0.14 0.00 0.82 0.00 0.00 66.70 66.75 2c0s h VAL 21 Cb 0.08 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2c0s h VAL 21 CO -0.04 0.32 -0.26 -0.33 0.02 0.00 0.00 177.57 177.28 2c0s h GLU 22 N 0.76 0.95 0.04 1.57 4.39 -1.03 -0.11 114.58 121.15 2c0s h GLU 22 Ca 0.16 -0.43 -0.12 0.00 0.34 0.00 0.00 59.36 59.31 2c0s h GLU 22 Cb 0.36 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2c0s h GLU 22 CO 0.01 1.10 -0.50 -0.22 -1.16 0.00 0.00 179.01 178.24 2c0s h LYS 23 N 0.81 0.27 0.00 2.33 3.64 -0.58 -3.38 116.57 119.66 2c0s h LYS 23 Ca 0.10 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 2c0s h LYS 23 Cb 0.84 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 2c0s h LYS 23 CO 0.07 1.08 -1.43 0.66 -2.27 0.00 0.00 179.45 177.56 2c0s n TYR 24 N -4.32 0.00 0.00 1.91 4.01 0.14 -5.08 117.16 113.82 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 0.64 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 39.42 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 1.58 0.79 3.75 2.72 0.00 -0.05 -4.89 105.19 109.10 2c0s n GLY 25 Ca -0.01 -2.16 -0.39 0.00 0.00 0.00 0.00 46.02 43.46 2c0s n GLY 25 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2c0s s PHE 26 N -1.19 3.63 -0.36 1.61 0.40 -1.26 -4.44 117.98 116.38 2c0s s PHE 26 Ca 0.00 1.12 -0.09 0.00 -0.60 0.00 0.00 56.93 57.36 2c0s s PHE 26 Cb 0.00 -2.60 0.01 0.00 0.51 0.00 0.00 43.02 40.94 2c0s s PHE 26 CO 0.00 0.29 0.45 2.41 0.70 0.00 0.00 175.22 179.07 2c0s n THR 27 N 3.04 -8.35 -3.89 0.64 -1.04 -1.26 -5.07 114.28 98.35 2c0s n THR 27 Ca -0.07 0.47 -0.14 0.00 -2.04 0.00 0.00 64.05 62.27 2c0s n THR 27 Cb 0.51 -6.29 -0.15 0.00 -1.82 0.00 0.00 70.33 62.58 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 -2.34 0.10 0.52 -1.42 5.04 -1.26 -5.04 115.29 110.88 2c0s s HIS 28 Ca 0.14 0.02 0.21 0.00 -1.54 0.00 0.00 55.06 53.90 2c0s s HIS 28 Cb -0.04 -0.15 1.42 0.00 0.04 0.00 0.00 32.58 33.85 2c0s s HIS 28 CO 0.55 -0.04 2.15 0.45 -2.34 0.00 0.00 174.74 175.50 2c0s h HIS 29 N 6.57 0.00 0.25 3.88 3.86 -1.97 0.90 115.15 128.63 2c0s h HIS 29 Ca -0.32 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.88 2c0s h HIS 29 Cb 1.18 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.63 2c0s h HIS 29 CO 0.45 0.05 -0.21 0.87 0.86 0.00 0.00 177.93 179.95 2c0s h LYS 30 N 0.00 -0.46 -0.53 2.45 1.79 -2.00 -0.39 116.57 117.43 2c0s h LYS 30 Ca -0.00 0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.47 2c0s h LYS 30 Cb 0.10 0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.83 2c0s h LYS 30 CO 0.01 -0.30 0.21 0.28 -1.08 0.00 0.00 179.45 178.56 2c0s h VAL 31 N -0.47 1.22 -0.80 0.50 2.07 -1.53 -2.60 116.25 114.64 2c0s h VAL 31 Ca -0.01 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 66.84 2c0s h VAL 31 Cb 0.43 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 2c0s h VAL 31 CO -0.03 0.26 0.52 0.40 0.02 0.00 0.00 177.57 178.74 2c0s h ILE 32 N 0.73 1.16 -0.89 4.57 2.04 -0.75 0.34 117.51 124.71 2c0s h ILE 32 Ca 0.18 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 2c0s h ILE 32 Cb 0.21 0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.28 2c0s h ILE 32 CO -0.01 0.19 0.50 0.28 0.00 0.00 0.00 178.15 179.11 2c0s h SER 33 N 1.03 1.10 0.44 1.72 0.02 -0.70 0.11 113.55 117.27 2c0s h SER 33 Ca 0.31 -0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 61.04 2c0s h SER 33 Cb -0.05 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.19 2c0s h SER 33 CO -0.09 0.87 -0.55 -0.26 -1.14 0.00 0.00 176.83 175.66 2c0s h PHE 34 N 1.24 0.15 -0.35 3.45 0.04 -1.09 -2.13 116.94 118.25 2c0s h PHE 34 Ca 0.32 -0.05 -0.09 0.00 2.80 0.00 0.00 57.97 60.95 2c0s h PHE 34 Cb 0.00 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.11 2c0s h PHE 34 CO 0.01 0.64 -0.14 0.77 -0.60 0.00 0.00 178.31 178.99 2c0s h SER 35 N 0.09 0.62 0.50 2.17 0.02 0.37 0.18 113.55 117.49 2c0s h SER 35 Ca -0.00 -0.18 -0.08 0.00 -0.84 0.00 0.00 61.79 60.68 2c0s h SER 35 Cb 1.00 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 2c0s h SER 35 CO 0.08 0.79 -0.39 1.56 -1.14 0.00 0.00 176.83 177.72 2c0s h GLN 36 N 0.57 0.00 -0.02 3.45 1.08 -0.49 0.20 115.11 119.90 2c0s h GLN 36 Ca 0.10 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.14 2c0s h GLN 36 Cb 0.58 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.02 2c0s h GLN 36 CO 0.04 0.39 -0.60 1.49 -0.95 0.00 0.00 178.83 179.20 2c0s h GLU 37 N 0.00 0.44 -0.44 1.46 4.81 -0.68 -2.31 114.58 117.86 2c0s h GLU 37 Ca -0.00 -0.45 0.03 0.00 -0.13 0.00 0.00 59.36 58.81 2c0s h GLU 37 Cb 0.75 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.21 2c0s h GLU 37 CO 0.05 1.10 0.23 1.25 -0.73 0.00 0.00 179.01 180.91 2c0s h LEU 38 N -0.05 0.35 -1.01 1.64 6.46 -0.42 -1.82 115.31 120.46 2c0s h LEU 38 Ca -0.07 0.02 0.09 0.00 -0.12 0.00 0.00 57.88 57.79 2c0s h LEU 38 Cb 1.30 -0.05 -0.07 0.00 -0.73 0.00 0.00 40.66 41.10 2c0s h LEU 38 CO 0.12 0.25 0.65 -0.78 -0.62 0.00 0.00 178.44 178.06 2c0s h ASP 39 N 0.47 1.00 -0.01 1.25 3.58 -0.62 0.29 116.42 122.37 2c0s h ASP 39 Ca 0.18 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.66 2c0s h ASP 39 Cb 0.06 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 40.93 2c0s h ASP 39 CO -0.11 0.60 0.01 -0.09 -2.88 0.00 0.00 179.24 176.76 2c0s h ARG 40 N 1.11 0.02 -0.17 0.28 9.65 -0.76 0.40 114.38 124.90 2c0s h ARG 40 Ca 0.46 -0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 59.26 2c0s h ARG 40 Cb 0.30 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.86 2c0s h ARG 40 CO -0.21 0.07 -0.24 -0.07 2.80 0.00 0.00 179.97 182.32 2c0s h LEU 41 N -0.05 0.31 -0.52 3.80 4.07 -0.55 -1.81 115.31 120.55 2c0s h LEU 41 Ca 0.00 -0.09 -0.08 0.00 0.08 0.00 0.00 57.88 57.79 2c0s h LEU 41 Cb 0.06 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 41.70 2c0s h LEU 41 CO -0.00 0.56 -0.00 0.25 -1.08 0.00 0.00 178.44 178.17 2c0s h LEU 42 N 0.28 0.91 -1.75 1.67 6.46 -0.22 -2.54 115.31 120.12 2c0s h LEU 42 Ca 0.04 -0.31 -0.04 0.00 -0.12 0.00 0.00 57.88 57.46 2c0s h LEU 42 Cb 0.59 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.27 2c0s h LEU 42 CO 0.04 1.00 -0.17 0.78 -0.62 0.00 0.00 178.44 179.47 2c0s h ASN 43 N 0.80 0.00 -0.12 1.25 -0.26 -0.23 -2.06 115.58 114.96 2c0s h ASN 43 Ca 0.15 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.87 2c0s h ASN 43 Cb 0.53 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.78 2c0s h ASN 43 CO 0.03 0.17 0.03 -0.07 -1.06 0.00 0.00 177.43 176.52 2c0s h LEU 44 N 0.00 0.25 -0.70 1.61 3.38 -0.91 0.55 115.31 119.49 2c0s h LEU 44 Ca -0.00 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 2c0s h LEU 44 Cb 0.36 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2c0s h LEU 44 CO 0.02 0.28 0.09 -0.07 0.09 0.00 0.00 178.44 178.85 2c0s h LEU 45 N 0.28 1.04 -0.18 1.67 3.38 -1.39 0.07 115.31 120.19 2c0s h LEU 45 Ca 0.07 -0.26 -0.19 0.00 0.09 0.00 0.00 57.88 57.59 2c0s h LEU 45 Cb 0.15 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.63 2c0s h LEU 45 CO -0.00 1.04 -0.65 0.40 0.09 0.00 0.00 178.44 179.32 2c0s h ILE 46 N 1.01 1.29 -0.41 1.22 5.03 -1.16 -1.98 117.51 122.52 2c0s h ILE 46 Ca 0.20 -1.86 -0.06 0.00 -0.12 0.00 0.00 64.86 63.01 2c0s h ILE 46 Cb 0.46 1.93 -0.02 0.00 -3.03 0.00 0.00 36.82 36.16 2c0s h ILE 46 CO 0.02 0.59 0.00 -0.33 -0.68 0.00 0.00 178.15 177.75 2c0s h GLU 47 N 0.48 0.65 -0.34 2.37 5.08 0.20 0.18 114.58 123.20 2c0s h GLU 47 Ca -0.03 -0.15 -0.13 0.00 -1.00 0.00 0.00 59.36 58.05 2c0s h GLU 47 Cb 1.28 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2c0s h GLU 47 CO 0.14 0.67 -0.31 1.25 -1.00 0.00 0.00 179.01 179.76 2c0s h LEU 48 N 0.62 0.75 -1.09 1.33 5.85 -0.93 -0.47 115.31 121.37 2c0s h LEU 48 Ca 0.13 -0.30 -0.06 0.00 0.84 0.00 0.00 57.88 58.49 2c0s h LEU 48 Cb 0.38 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2c0s h LEU 48 CO 0.01 1.01 0.04 0.50 -0.34 0.00 0.00 178.44 179.66 2c0s h LYS 49 N 0.62 0.68 0.00 1.25 3.11 -0.72 -2.12 116.57 119.40 2c0s h LYS 49 Ca 0.07 -0.15 -0.07 0.00 -2.81 0.00 0.00 60.65 57.69 2c0s h LYS 49 Cb 0.83 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.95 2c0s h LYS 49 CO 0.07 0.67 -0.34 1.15 -2.81 0.00 0.00 179.45 178.19 2c0s h THR 50 N 0.65 0.71 0.00 1.00 2.02 -0.19 -2.65 112.91 114.45 2c0s h THR 50 Ca 0.14 -1.56 -0.07 0.00 0.77 0.00 0.00 66.41 65.69 2c0s h THR 50 Cb 0.35 2.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 2c0s h THR 50 CO 0.01 0.33 -0.34 0.11 0.37 0.00 0.00 175.52 176.00 2c0s h LYS 51 N 0.00 0.00 -0.59 6.66 1.79 -0.40 -3.46 116.57 120.58 2c0s h LYS 51 Ca -0.00 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.35 2c0s h LYS 51 Cb 0.99 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.60 2c0s h LYS 51 CO 0.04 0.34 -0.11 0.36 -1.08 0.00 0.00 179.45 179.01 2c0s n LYS 52 N -4.07 -1.70 -0.43 3.15 2.85 -1.00 -4.78 118.16 112.18 2c0s n LYS 52 Ca -0.02 0.53 0.03 0.00 -1.05 0.00 0.00 58.31 57.81 2c0s n LYS 52 Cb 0.39 -4.53 0.19 0.00 -0.65 0.00 0.00 35.03 30.43 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 -0.46 2.87 -3.02 -1.58 2.85 -1.26 -4.79 118.16 112.77 2c0s n LYS 53 Ca -0.06 -1.51 -0.40 0.00 -1.05 0.00 0.00 58.31 55.29 2c0s n LYS 53 Cb 0.38 -1.87 -0.05 0.00 -0.65 0.00 0.00 35.03 32.85 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 -1.84 4.45 0.00 -1.58 0.52 -1.26 -4.91 118.95 114.32 2c0s s ARG 54 Ca 0.26 0.92 0.17 0.00 -0.52 0.00 0.00 55.73 56.56 2c0s s ARG 54 Cb 0.20 -3.45 1.01 0.00 0.52 0.00 0.00 34.95 33.23 2c0s s ARG 54 CO 0.08 0.06 1.63 0.66 0.02 0.00 0.00 175.30 177.74 2c0s n TYR 55 N 3.78 0.00 0.16 -0.53 4.01 -1.26 -1.75 117.16 121.56 2c0s n TYR 55 Ca -0.01 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.77 2c0s n TYR 55 Cb 0.51 0.00 0.17 0.00 -0.31 0.00 0.00 39.34 39.71 2c0s n TYR 55 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2c0s h SER 56 N 0.00 0.00 0.36 7.72 4.64 -1.91 0.13 113.55 124.49 2c0s h SER 56 Ca 0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.00 2c0s h SER 56 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2c0s h SER 56 CO 0.00 0.46 -1.64 -0.07 -0.87 0.00 0.00 176.83 174.71 2c0s h LEU 57 N 0.00 0.42 0.21 5.97 3.38 -1.62 -3.00 115.31 120.67 2c0s h LEU 57 Ca -0.00 -0.64 -0.32 0.00 0.09 0.00 0.00 57.88 57.01 2c0s h LEU 57 Cb 1.17 -0.14 0.03 0.00 0.09 0.00 0.00 40.66 41.82 2c0s h LEU 57 CO 0.06 1.54 -1.40 -0.07 0.09 0.00 0.00 178.44 178.65 2c0s h LEU 58 N 0.07 0.81 0.00 1.67 3.38 -1.58 -3.45 115.31 116.21 2c0s h LEU 58 Ca -0.29 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 56.85 2c0s h LEU 58 Cb 2.04 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.53 2c0s h LEU 58 CO 0.15 1.65 0.00 -0.62 0.09 0.00 0.00 178.44 179.71 2c0s n GLU 59 N -3.71 0.00 -3.87 1.13 1.02 0.45 -5.10 120.64 110.56 2c0s n GLU 59 Ca -0.15 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 56.88 2c0s n GLU 59 Cb 1.07 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 32.39 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 0.97 0.04 -0.17 -0.32 3.76 -1.23 -4.94 115.29 113.41 2c0s s HIS 60 Ca 0.00 -0.14 0.07 0.00 -0.15 0.00 0.00 55.06 54.84 2c0s s HIS 60 Cb 0.00 -0.05 -0.16 0.00 1.11 0.00 0.00 32.58 33.48 2c0s s HIS 60 CO 0.00 -0.29 -0.07 1.58 -0.85 0.00 0.00 174.74 175.11 2c0s n HIS 61 N 1.44 0.00 -4.42 1.40 -0.00 -1.13 -4.21 115.22 108.30 2c0s n HIS 61 Ca -0.23 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.61 2c0s n HIS 61 Cb 0.55 -0.75 -0.11 0.00 -0.12 0.00 0.00 29.99 29.57 2c0s n HIS 61 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2c0s s HIS 62 N -2.38 3.07 -0.05 1.57 3.76 -1.26 -5.07 115.29 114.92 2c0s s HIS 62 Ca -0.17 -0.02 0.01 0.00 -0.15 0.00 0.00 55.06 54.73 2c0s s HIS 62 Cb 0.06 -1.85 0.02 0.00 1.11 0.00 0.00 32.58 31.92 2c0s s HIS 62 CO 0.53 0.25 -0.05 -1.01 -0.85 0.00 0.00 174.74 173.61 2c0s s HIS 63 N -0.37 0.86 -2.93 1.40 0.09 -1.26 -5.22 115.29 107.85 2c0s s HIS 63 Ca 0.06 -0.27 0.25 0.00 -0.00 0.00 0.00 55.06 55.10 2c0s s HIS 63 Cb -0.12 -0.75 0.30 0.00 -0.00 0.00 0.00 32.58 32.01 2c0s s HIS 63 CO 0.02 -0.23 1.32 0.72 -0.00 0.00 0.00 174.74 176.57