#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6o n GLU 2 N 0.00 0.00 -3.44 1.61 1.02 -1.26 -4.80 120.64 113.77 1s6o n GLU 2 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.77 1s6o n GLU 2 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 1s6o n GLU 2 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1s6o s VAL 3 N 0.00 5.24 0.15 2.62 1.01 0.27 -4.79 120.40 124.91 1s6o s VAL 3 Ca 0.00 0.74 -0.30 0.00 0.00 0.00 0.00 61.98 62.42 1s6o s VAL 3 Cb 0.00 -3.71 -0.07 0.00 0.00 0.00 0.00 36.38 32.60 1s6o s VAL 3 CO 0.00 0.38 1.04 -0.69 0.00 0.00 0.00 175.10 175.83 1s6o s VAL 4 N 0.40 4.13 0.04 2.92 1.01 -1.26 -1.28 120.40 126.35 1s6o s VAL 4 Ca 0.21 1.82 0.07 0.00 0.00 0.00 0.00 61.98 64.07 1s6o s VAL 4 Cb -0.14 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 1s6o s VAL 4 CO 0.07 0.30 -0.19 -0.22 0.00 0.00 0.00 175.10 175.06 1s6o s LEU 5 N -0.24 2.15 -0.12 3.92 1.98 0.24 -4.84 118.68 121.78 1s6o s LEU 5 Ca 0.48 -0.49 0.02 0.00 -2.89 0.00 0.00 54.13 51.25 1s6o s LEU 5 Cb -0.27 -0.91 -0.01 0.00 0.66 0.00 0.00 46.19 45.67 1s6o s LEU 5 CO 0.33 0.15 -0.18 -0.54 -1.89 0.00 0.00 176.35 174.21 1s6o s LYS 6 N -1.08 3.21 0.13 1.98 1.02 -1.26 -1.72 119.74 122.02 1s6o s LYS 6 Ca 0.06 -0.78 0.09 0.00 0.02 0.00 0.00 55.97 55.36 1s6o s LYS 6 Cb -0.08 -2.49 -0.04 0.00 -0.52 0.00 0.00 37.83 34.70 1s6o s LYS 6 CO 0.01 0.16 -0.21 0.00 -0.92 0.00 0.00 175.35 174.39 1s6o s MET 7 N 0.44 1.24 0.27 1.68 0.23 0.10 -3.13 119.30 120.13 1s6o s MET 7 Ca -0.13 -1.30 -0.09 0.00 -1.03 0.00 0.00 55.69 53.14 1s6o s MET 7 Cb -0.17 -1.47 -0.07 0.00 -1.53 0.00 0.00 34.83 31.60 1s6o s MET 7 CO 0.06 0.33 0.60 0.15 -2.03 0.00 0.00 175.02 174.12 1s6o s LYS 8 N -2.28 3.79 -0.48 3.16 -0.14 -0.22 -1.32 119.74 122.25 1s6o s LYS 8 Ca 0.12 0.30 0.07 0.00 -1.36 0.00 0.00 55.97 55.10 1s6o s LYS 8 Cb -0.08 -2.59 0.26 0.00 -1.68 0.00 0.00 37.83 33.74 1s6o s LYS 8 CO 0.06 0.24 0.64 0.28 -0.76 0.00 0.00 175.35 175.80 1s6o n VAL 9 N -0.45 0.57 -1.78 3.17 0.31 -1.25 -3.01 118.33 115.89 1s6o n VAL 9 Ca 0.01 -4.54 -0.43 0.00 -0.01 0.00 0.00 64.34 59.37 1s6o n VAL 9 Cb 0.53 -1.85 -0.03 0.00 -0.91 0.00 0.00 33.84 31.58 1s6o n VAL 9 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1s6o s GLU 10 N -1.83 3.72 0.00 5.55 0.41 -1.25 -2.82 118.70 122.48 1s6o s GLU 10 Ca 0.38 2.16 0.00 0.00 -0.41 0.00 0.00 54.97 57.10 1s6o s GLU 10 Cb 0.18 -4.19 0.00 0.00 -1.78 0.00 0.00 34.13 28.34 1s6o s GLU 10 CO -0.08 -1.42 0.00 0.41 -0.49 0.00 0.00 175.26 173.69 1s6o n GLY 11 N 4.95 1.63 3.60 -1.39 0.00 -1.26 -4.09 105.19 108.64 1s6o n GLY 11 Ca 0.23 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 1s6o n GLY 11 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1s6o s MET 12 N 0.00 3.52 -0.46 1.61 -1.94 -1.13 -4.83 119.30 116.06 1s6o s MET 12 Ca 0.00 1.18 0.06 0.00 -1.71 0.00 0.00 55.69 55.22 1s6o s MET 12 Cb 0.00 -4.08 0.31 0.00 2.01 0.00 0.00 34.83 33.06 1s6o s MET 12 CO 0.00 -1.63 1.08 -2.37 -0.01 0.00 0.00 175.02 172.08 1s6o n THR 13 N 7.13 0.00 -2.78 2.05 5.66 -1.26 -4.74 114.28 120.34 1s6o n THR 13 Ca 0.19 -1.50 -0.08 0.00 -3.05 0.00 0.00 64.05 59.61 1s6o n THR 13 Cb 0.47 1.50 0.04 0.00 -1.55 0.00 0.00 70.33 70.79 1s6o n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1s6o n HIS 15 N 1.89 0.00 0.00 0.00 -0.00 -1.26 -4.48 115.22 111.37 1s6o n HIS 15 Ca 0.11 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.29 1s6o n HIS 15 Cb 0.61 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.48 1s6o n HIS 15 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1s6o n SER 16 N 0.27 0.00 -4.41 0.26 2.88 -1.26 -5.03 113.62 106.33 1s6o n SER 16 Ca 0.00 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.28 1s6o n SER 16 Cb 0.00 0.45 -0.09 0.00 -0.75 0.00 0.00 64.21 63.82 1s6o n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s6o n THR 18 N 8.07 0.00 -0.22 0.00 -2.24 -1.26 -4.83 114.28 113.81 1s6o n THR 18 Ca 0.44 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.33 1s6o n THR 18 Cb 0.46 0.00 0.40 0.00 -2.10 0.00 0.00 70.33 69.08 1s6o n THR 18 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1s6o h SER 19 N 0.00 0.60 0.08 3.42 0.02 -1.97 0.43 113.55 116.14 1s6o h SER 19 Ca 0.00 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1s6o h SER 19 Cb 0.00 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.39 1s6o h SER 19 CO 0.00 0.34 -0.50 0.74 -1.14 0.00 0.00 176.83 176.27 1s6o h THR 20 N 0.66 0.00 -0.16 -2.27 2.02 -1.93 0.20 112.91 111.43 1s6o h THR 20 Ca 0.38 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.61 1s6o h THR 20 Cb 0.59 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.95 1s6o h THR 20 CO -0.15 0.00 -0.12 0.40 0.37 0.00 0.00 175.52 176.02 1s6o h ILE 21 N -0.69 0.65 0.25 3.11 5.03 -0.62 0.68 117.51 125.92 1s6o h ILE 21 Ca -0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.73 1s6o h ILE 21 Cb 0.71 0.65 -0.00 0.00 -3.03 0.00 0.00 36.82 35.15 1s6o h ILE 21 CO -0.29 0.00 -0.16 -0.33 -0.68 0.00 0.00 178.15 176.69 1s6o h GLU 22 N -0.12 -0.38 -0.48 2.37 5.08 -0.42 0.78 114.58 121.42 1s6o h GLU 22 Ca 0.10 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.58 1s6o h GLU 22 Cb 0.27 0.09 -0.10 0.00 0.50 0.00 0.00 28.75 29.51 1s6o h GLU 22 CO -0.24 -0.25 -0.19 0.78 -1.00 0.00 0.00 179.01 178.11 1s6o h GLY 23 N -0.39 0.20 0.50 -3.84 0.00 -0.64 0.33 103.07 99.23 1s6o h GLY 23 Ca -0.03 0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.55 1s6o h GLY 23 CO 0.03 -0.21 -0.37 1.70 0.00 0.00 0.00 176.54 177.70 1s6o h LYS 24 N -0.08 -0.66 0.00 4.80 1.63 -0.78 -2.60 116.57 118.89 1s6o h LYS 24 Ca 0.23 0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 60.04 1s6o h LYS 24 Cb 0.43 0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 1s6o h LYS 24 CO -0.54 -0.44 -0.18 0.82 -3.45 0.00 0.00 179.45 175.66 1s6o h ILE 25 N -0.68 0.99 0.00 2.00 1.08 -0.18 -0.69 117.51 120.02 1s6o h ILE 25 Ca -0.00 -0.65 0.00 0.00 -0.39 0.00 0.00 64.86 63.81 1s6o h ILE 25 Cb 0.65 1.37 0.00 0.00 -3.07 0.00 0.00 36.82 35.77 1s6o h ILE 25 CO -0.13 0.18 0.21 1.23 -0.69 0.00 0.00 178.15 178.95 1s6o h GLY 26 N 0.67 0.00 1.42 5.37 0.00 0.04 0.10 103.07 110.66 1s6o h GLY 26 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1s6o h GLY 26 CO 0.02 0.00 -0.54 1.70 0.00 0.00 0.00 176.54 177.72 1s6o h LYS 27 N 0.00 0.00 -6.67 4.80 3.64 -1.11 -3.47 116.57 113.76 1s6o h LYS 27 Ca 0.00 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.86 1s6o h LYS 27 Cb 0.42 0.00 0.04 0.00 -0.41 0.00 0.00 32.23 32.28 1s6o h LYS 27 CO 0.00 0.00 0.69 -0.51 -2.27 0.00 0.00 179.45 177.36 1s6o s LEU 28 N -5.34 4.40 -0.21 5.20 2.01 0.36 -4.91 118.68 120.19 1s6o s LEU 28 Ca 0.04 2.45 -0.30 0.00 0.01 0.00 0.00 54.13 56.33 1s6o s LEU 28 Cb 0.09 -3.61 -0.07 0.00 0.01 0.00 0.00 46.19 42.61 1s6o s LEU 28 CO 0.72 -0.59 2.18 0.00 1.01 0.00 0.00 176.35 179.67 1s6o n GLN 29 N 2.81 1.91 0.00 1.70 10.64 -1.26 -2.04 117.38 131.14 1s6o n GLN 29 Ca 0.07 0.55 0.00 0.00 -1.83 0.00 0.00 57.00 55.80 1s6o n GLN 29 Cb 0.42 -3.07 0.00 0.00 -0.86 0.00 0.00 30.24 26.73 1s6o n GLN 29 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1s6o n GLY 30 N 5.73 0.93 3.74 2.61 0.00 -1.26 -3.62 105.19 113.32 1s6o n GLY 30 Ca 0.31 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 1s6o n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s6o s VAL 31 N -1.16 4.43 -0.17 1.61 1.01 -0.86 -3.65 120.40 121.62 1s6o s VAL 31 Ca 0.00 1.98 -0.05 0.00 0.00 0.00 0.00 61.98 63.91 1s6o s VAL 31 Cb 0.00 -4.28 -0.08 0.00 0.00 0.00 0.00 36.38 32.02 1s6o s VAL 31 CO 0.00 0.38 -0.19 0.00 0.00 0.00 0.00 175.10 175.29 1s6o n GLN 32 N 2.42 0.37 -3.93 2.72 1.13 0.09 -4.90 117.38 115.27 1s6o n GLN 32 Ca 0.00 0.13 -0.08 0.00 -1.94 0.00 0.00 57.00 55.11 1s6o n GLN 32 Cb 0.49 -1.19 -0.08 0.00 0.11 0.00 0.00 30.24 29.57 1s6o n GLN 32 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1s6o s ARG 33 N -2.31 0.76 0.00 -1.09 6.06 -1.18 -5.00 118.95 116.18 1s6o s ARG 33 Ca -0.23 -1.03 -0.04 0.00 -2.50 0.00 0.00 55.73 51.93 1s6o s ARG 33 Cb 0.08 0.29 -0.00 0.00 0.06 0.00 0.00 34.95 35.38 1s6o s ARG 33 CO 0.32 -0.21 0.07 -1.50 -2.50 0.00 0.00 175.30 171.48 1s6o s ILE 34 N -3.81 0.08 -0.17 4.11 2.07 -1.26 -0.70 121.20 121.52 1s6o s ILE 34 Ca 0.05 -0.64 -0.04 0.00 -1.41 0.00 0.00 60.65 58.61 1s6o s ILE 34 Cb 0.06 -0.32 0.08 0.00 0.13 0.00 0.00 42.46 42.41 1s6o s ILE 34 CO -0.10 -0.35 0.22 -0.54 -1.91 0.00 0.00 174.94 172.26 1s6o s LYS 35 N -1.15 0.16 -0.26 3.50 3.01 0.66 -4.98 119.74 120.68 1s6o s LYS 35 Ca -0.12 0.35 -0.09 0.00 -1.01 0.00 0.00 55.97 55.09 1s6o s LYS 35 Cb -0.07 -0.87 -0.04 0.00 -1.01 0.00 0.00 37.83 35.84 1s6o s LYS 35 CO 0.00 -0.54 0.13 0.08 0.51 0.00 0.00 175.35 175.53 1s6o s VAL 36 N 2.34 4.84 -0.81 3.17 1.01 -1.26 -0.49 120.40 129.20 1s6o s VAL 36 Ca 0.05 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.93 1s6o s VAL 36 Cb -0.15 -3.28 0.21 0.00 0.00 0.00 0.00 36.38 33.16 1s6o s VAL 36 CO -0.11 0.30 0.72 -0.44 0.00 0.00 0.00 175.10 175.58 1s6o s SER 37 N 1.60 6.47 1.29 3.32 0.01 0.18 -5.00 113.70 121.58 1s6o s SER 37 Ca 0.07 -2.81 -0.17 0.00 1.31 0.00 0.00 55.95 54.35 1s6o s SER 37 Cb -0.15 -2.13 0.31 0.00 0.21 0.00 0.00 66.02 64.26 1s6o s SER 37 CO 0.07 -0.51 0.85 0.18 0.41 0.00 0.00 173.24 174.24 1s6o n LEU 38 N 3.76 -1.41 0.00 2.44 4.77 -1.26 -1.51 117.00 123.79 1s6o n LEU 38 Ca 0.13 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 1s6o n LEU 38 Cb 0.45 -1.12 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 1s6o n LEU 38 CO 0.34 -3.79 0.00 0.47 -1.33 0.00 0.00 177.39 173.08 1s6o n ASP 39 N -4.87 0.00 0.26 -1.43 9.92 -1.26 -3.87 116.55 115.30 1s6o n ASP 39 Ca 0.06 0.00 0.10 0.00 -0.53 0.00 0.00 54.79 54.42 1s6o n ASP 39 Cb 0.56 0.00 0.70 0.00 -0.64 0.00 0.00 41.12 41.74 1s6o n ASP 39 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 1s6o h ASN 40 N 0.00 0.00 -4.23 -2.24 -1.24 -1.97 -3.46 115.58 102.44 1s6o h ASN 40 Ca 0.00 0.00 -0.20 0.00 0.71 0.00 0.00 56.30 56.81 1s6o h ASN 40 Cb 0.00 0.00 0.10 0.00 0.73 0.00 0.00 38.32 39.15 1s6o h ASN 40 CO 0.00 0.07 -0.47 1.67 -1.29 0.00 0.00 177.43 177.41 1s6o n GLN 41 N -4.15 -3.79 -3.96 6.67 7.27 -0.57 -5.05 117.38 113.82 1s6o n GLN 41 Ca -0.03 0.51 -0.10 0.00 0.07 0.00 0.00 57.00 57.46 1s6o n GLN 41 Cb 0.15 -4.50 -0.11 0.00 2.41 0.00 0.00 30.24 28.19 1s6o n GLN 41 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1s6o s GLU 42 N -4.74 0.26 0.04 3.69 2.56 -0.66 -3.87 118.70 115.99 1s6o s GLU 42 Ca 0.02 -0.49 -0.04 0.00 0.00 0.00 0.00 54.97 54.47 1s6o s GLU 42 Cb -0.00 0.09 -0.02 0.00 2.00 0.00 0.00 34.13 36.20 1s6o s GLU 42 CO 0.44 -0.04 0.05 0.00 -0.56 0.00 0.00 175.26 175.15 1s6o s ALA 43 N -1.19 0.10 -0.01 6.30 0.00 -0.44 -0.65 121.76 125.88 1s6o s ALA 43 Ca -0.13 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.10 1s6o s ALA 43 Cb -0.08 0.26 0.01 0.00 0.00 0.00 0.00 23.12 23.31 1s6o s ALA 43 CO -0.01 -0.32 0.01 0.99 0.00 0.00 0.00 175.76 176.43 1s6o s THR 44 N -2.87 0.00 0.19 0.00 2.01 0.35 -0.72 115.64 114.61 1s6o s THR 44 Ca -0.03 0.06 0.04 0.00 0.31 0.00 0.00 61.69 62.07 1s6o s THR 44 Cb 0.00 -0.05 -0.05 0.00 0.01 0.00 0.00 72.50 72.41 1s6o s THR 44 CO -0.06 0.04 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.23 1s6o s ILE 45 N 0.35 1.09 -0.14 1.82 1.09 -0.70 -0.25 121.20 124.46 1s6o s ILE 45 Ca -0.03 -2.05 0.00 0.00 -1.10 0.00 0.00 60.65 57.47 1s6o s ILE 45 Cb -0.04 -2.13 0.03 0.00 -1.06 0.00 0.00 42.46 39.25 1s6o s ILE 45 CO -0.01 -0.51 -0.11 0.54 -0.10 0.00 0.00 174.94 174.75 1s6o s VAL 46 N -3.39 1.38 0.37 2.92 0.11 0.12 -0.59 120.40 121.32 1s6o s VAL 46 Ca 0.23 -0.56 -0.13 0.00 -2.93 0.00 0.00 61.98 58.59 1s6o s VAL 46 Cb 0.04 -1.35 0.05 0.00 -1.53 0.00 0.00 36.38 33.59 1s6o s VAL 46 CO 0.05 0.38 0.72 0.00 -3.33 0.00 0.00 175.10 172.92 1s6o n TYR 47 N 4.82 -2.22 -4.01 1.54 0.18 -0.41 -0.73 117.16 116.34 1s6o n TYR 47 Ca -0.15 -1.80 -0.12 0.00 1.88 0.00 0.00 57.90 57.71 1s6o n TYR 47 Cb 0.49 0.85 -0.13 0.00 -0.38 0.00 0.00 39.34 40.17 1s6o n TYR 47 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1s6o s GLN 48 N -2.14 0.28 -1.16 -3.48 0.74 -1.24 -0.56 119.66 112.09 1s6o s GLN 48 Ca 0.16 -0.33 -0.24 0.00 0.05 0.00 0.00 55.36 55.01 1s6o s GLN 48 Cb -0.04 -0.13 -0.13 0.00 1.10 0.00 0.00 33.01 33.80 1s6o s GLN 48 CO 0.12 0.03 1.99 -1.25 -0.55 0.00 0.00 175.29 175.62 1s6o s PRO 49 N -0.65 2.10 0.21 1.67 0.04 -1.26 -3.64 135.00 133.47 1s6o s PRO 49 Ca -0.05 -0.96 0.00 0.00 0.04 0.00 0.00 61.00 60.03 1s6o s PRO 49 Cb -0.05 -5.17 0.00 0.00 0.04 0.00 0.00 34.50 29.33 1s6o s PRO 49 CO -0.00 -4.44 0.00 1.58 0.04 0.00 0.00 177.00 174.18 1s6o n HIS 50 N 15.96 -3.33 0.01 0.56 -0.00 -1.26 -4.93 115.22 122.23 1s6o n HIS 50 Ca 0.44 0.70 -0.07 0.00 0.46 0.00 0.00 57.72 59.25 1s6o n HIS 50 Cb 0.47 1.99 -0.12 0.00 -0.12 0.00 0.00 29.99 32.20 1s6o n HIS 50 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 1s6o h LEU 51 N 0.00 0.00 -8.98 0.27 3.38 -1.83 -3.46 115.31 104.68 1s6o h LEU 51 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 1s6o h LEU 51 Cb 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.54 1s6o h LEU 51 CO 0.00 0.95 -0.80 -0.51 0.09 0.00 0.00 178.44 178.17 1s6o s ILE 52 N -2.67 2.87 -0.65 1.22 1.10 -1.24 -4.74 121.20 117.09 1s6o s ILE 52 Ca -0.02 -1.15 0.00 0.00 -0.51 0.00 0.00 60.65 58.96 1s6o s ILE 52 Cb 0.09 -2.21 0.00 0.00 0.15 0.00 0.00 42.46 40.48 1s6o s ILE 52 CO 0.82 0.34 0.62 -1.20 -2.11 0.00 0.00 174.94 173.40 1s6o n SER 53 N 1.54 1.55 0.00 4.50 7.64 -1.26 -4.49 113.62 123.09 1s6o n SER 53 Ca -0.16 -1.82 0.00 0.00 1.01 0.00 0.00 58.87 57.90 1s6o n SER 53 Cb 0.52 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1s6o n SER 53 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1s6o n VAL 54 N 0.22 0.00 0.10 0.44 0.31 -1.26 -3.95 118.33 114.19 1s6o n VAL 54 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.12 1s6o n VAL 54 Cb 0.31 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.11 1s6o n VAL 54 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1s6o h GLU 55 N 0.00 0.58 -0.97 5.55 4.57 -2.00 -3.35 114.58 118.96 1s6o h GLU 55 Ca 0.00 -0.79 0.12 0.00 -1.18 0.00 0.00 59.36 57.51 1s6o h GLU 55 Cb 0.00 0.26 -0.14 0.00 -0.16 0.00 0.00 28.75 28.72 1s6o h GLU 55 CO 0.00 1.36 -0.49 0.93 -1.18 0.00 0.00 179.01 179.63 1s6o h GLU 56 N 0.25 -0.02 -0.62 1.92 5.08 -1.93 0.95 114.58 120.21 1s6o h GLU 56 Ca -0.18 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.25 1s6o h GLU 56 Cb 1.92 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 31.09 1s6o h GLU 56 CO 0.23 -0.01 -0.33 -0.12 -1.00 0.00 0.00 179.01 177.78 1s6o n MET 57 N -5.36 -0.24 -0.03 2.33 1.56 -1.26 -0.47 117.12 113.66 1s6o n MET 57 Ca 0.06 0.95 -0.14 0.00 -0.27 0.00 0.00 57.70 58.30 1s6o n MET 57 Cb 0.33 -1.40 -0.09 0.00 2.15 0.00 0.00 33.22 34.21 1s6o n MET 57 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 1s6o h LYS 58 N 0.00 0.17 -0.43 2.12 1.63 -1.11 -3.28 116.57 115.67 1s6o h LYS 58 Ca 0.13 -0.11 0.12 0.00 -0.85 0.00 0.00 60.65 59.94 1s6o h LYS 58 Cb 0.29 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.92 1s6o h LYS 58 CO -0.60 0.70 0.31 0.87 -3.45 0.00 0.00 179.45 177.28 1s6o h LYS 59 N -0.34 0.05 -0.37 1.90 6.56 0.79 0.25 116.57 125.41 1s6o h LYS 59 Ca 0.00 -0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.60 1s6o h LYS 59 Cb 0.69 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.32 1s6o h LYS 59 CO 0.02 0.03 0.24 1.96 -2.06 0.00 0.00 179.45 179.64 1s6o h GLN 60 N 0.05 0.47 -0.22 3.15 1.08 -0.83 0.02 115.11 118.83 1s6o h GLN 60 Ca 0.20 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.36 1s6o h GLN 60 Cb 0.76 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.07 1s6o h GLN 60 CO -0.01 0.31 0.07 0.82 -0.95 0.00 0.00 178.83 179.07 1s6o h ILE 61 N 0.48 1.19 -0.38 2.54 5.03 -0.70 -2.53 117.51 123.14 1s6o h ILE 61 Ca 0.14 -0.59 0.08 0.00 -0.12 0.00 0.00 64.86 64.37 1s6o h ILE 61 Cb -0.03 1.17 -0.08 0.00 -3.03 0.00 0.00 36.82 34.84 1s6o h ILE 61 CO -0.05 0.19 -0.20 -0.33 -0.68 0.00 0.00 178.15 177.08 1s6o h GLU 62 N 0.19 -0.13 0.00 2.37 5.08 -0.53 -0.65 114.58 120.90 1s6o h GLU 62 Ca 0.07 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1s6o h GLU 62 Cb 0.23 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1s6o h GLU 62 CO -0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 179.01 177.92 1s6o h ALA 63 N 1.10 1.00 -0.09 3.43 0.00 -0.89 0.74 119.26 124.56 1s6o h ALA 63 Ca 0.19 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1s6o h ALA 63 Cb 0.43 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1s6o h ALA 63 CO -0.46 0.00 0.06 0.52 0.00 0.00 0.00 179.25 179.37 1s6o h MET 64 N 0.00 0.00 0.00 0.00 2.86 -0.67 -3.45 114.93 113.67 1s6o h MET 64 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1s6o h MET 64 Cb 0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1s6o h MET 64 CO 0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 1s6o n GLY 65 N -1.55 0.75 3.01 8.32 0.00 0.14 -5.14 105.19 110.72 1s6o n GLY 65 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1s6o n GLY 65 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s6o s PHE 66 N -0.85 -0.41 -0.66 1.61 0.08 -0.52 -5.10 117.98 112.13 1s6o s PHE 66 Ca 0.00 0.95 -0.26 0.00 0.12 0.00 0.00 56.93 57.73 1s6o s PHE 66 Cb 0.00 -0.03 -0.02 0.00 -0.57 0.00 0.00 43.02 42.40 1s6o s PHE 66 CO 0.00 -0.34 1.79 -1.25 -0.10 0.00 0.00 175.22 175.32 1s6o s PRO 67 N 2.30 2.70 0.36 0.24 0.04 -1.26 -4.23 135.00 135.16 1s6o s PRO 67 Ca 0.00 0.40 0.02 0.00 0.04 0.00 0.00 61.00 61.46 1s6o s PRO 67 Cb -0.12 -4.43 0.02 0.00 0.04 0.00 0.00 34.50 30.00 1s6o s PRO 67 CO -0.08 -2.71 0.13 0.00 0.04 0.00 0.00 177.00 174.38 1s6o n ALA 68 N 12.38 0.43 -3.62 8.56 0.00 -1.26 -3.94 120.51 133.06 1s6o n ALA 68 Ca 0.20 -1.55 -0.14 0.00 0.00 0.00 0.00 53.44 51.95 1s6o n ALA 68 Cb 0.51 0.75 -0.07 0.00 0.00 0.00 0.00 19.45 20.64 1s6o n ALA 68 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1s6o s PHE 69 N -2.08 -0.75 0.03 0.00 0.08 -1.16 -4.95 117.98 109.15 1s6o s PHE 69 Ca 0.10 1.78 -0.10 0.00 0.12 0.00 0.00 56.93 58.83 1s6o s PHE 69 Cb -0.01 0.29 -0.05 0.00 -0.57 0.00 0.00 43.02 42.68 1s6o s PHE 69 CO 0.06 -0.39 0.36 0.54 -0.10 0.00 0.00 175.22 175.68 1s6o s VAL 70 N 0.19 5.15 0.00 -0.44 0.11 -1.26 -1.05 120.40 123.10 1s6o s VAL 70 Ca -0.01 0.45 0.00 0.00 -2.93 0.00 0.00 61.98 59.49 1s6o s VAL 70 Cb -0.04 -3.63 0.00 0.00 -1.53 0.00 0.00 36.38 31.18 1s6o s VAL 70 CO 0.01 0.39 0.00 0.29 -3.33 0.00 0.00 175.10 172.46 1s6o n LYS 71 N 1.21 0.00 -3.73 1.54 5.02 -1.18 -4.96 118.16 116.06 1s6o n LYS 71 Ca -0.11 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.05 1s6o n LYS 71 Cb 0.53 -0.01 -0.10 0.00 -0.02 0.00 0.00 35.03 35.43 1s6o n LYS 71 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1s6o s LYS 72 N 0.00 0.54 -0.05 1.97 -0.14 -1.26 -5.12 119.74 115.69 1s6o s LYS 72 Ca 0.00 0.43 0.01 0.00 -1.36 0.00 0.00 55.97 55.05 1s6o s LYS 72 Cb 0.00 0.26 0.02 0.00 -1.68 0.00 0.00 37.83 36.43 1s6o s LYS 72 CO 0.00 -0.09 -0.03 -1.50 -0.76 0.00 0.00 175.35 172.97 1s6o s ILE 73 N -0.11 0.48 -0.06 2.17 1.10 -1.26 -4.48 121.20 119.05 1s6o s ILE 73 Ca -0.03 -0.06 -0.30 0.00 -0.51 0.00 0.00 60.65 59.75 1s6o s ILE 73 Cb -0.03 -0.54 0.09 0.00 0.15 0.00 0.00 42.46 42.13 1s6o s ILE 73 CO 0.02 0.23 0.78 -1.61 -2.11 0.00 0.00 174.94 172.24 1s6o s GLU 74 N 1.13 0.94 0.00 3.50 2.02 -1.26 -5.08 118.70 119.94 1s6o s GLU 74 Ca -0.08 0.11 0.00 0.00 0.02 0.00 0.00 54.97 55.02 1s6o s GLU 74 Cb -0.14 0.44 0.00 0.00 0.10 0.00 0.00 34.13 34.53 1s6o s GLU 74 CO -0.01 -0.32 0.00 0.41 0.02 0.00 0.00 175.26 175.36 1s6o n GLY 75 N 0.64 -0.60 0.00 -1.39 0.00 -1.26 -4.96 105.19 97.62 1s6o n GLY 75 Ca -0.16 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1s6o n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19