#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 -2.75 -5.04 1.61 4.71 -1.26 -4.94 120.64 112.97 1s6o n GLU 2 Ca 0.00 -1.51 -0.32 0.00 -0.01 0.00 0.00 57.16 55.32 1s6o n GLU 2 Cb 0.00 -1.39 -0.15 0.00 -1.01 0.00 0.00 31.44 28.90 1s6o n GLU 2 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1s6o s VAL 3 N -2.73 2.64 0.07 2.62 1.01 0.67 -4.91 120.40 119.76 1s6o s VAL 3 Ca 0.61 -0.86 -0.28 0.00 0.00 0.00 0.00 61.98 61.44 1s6o s VAL 3 Cb -0.06 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 1s6o s VAL 3 CO 0.46 0.57 0.90 -0.69 0.00 0.00 0.00 175.10 176.34 1s6o s VAL 4 N -0.37 4.64 0.08 2.92 1.01 -1.26 -0.94 120.40 126.48 1s6o s VAL 4 Ca 0.03 1.92 0.06 0.00 0.00 0.00 0.00 61.98 63.99 1s6o s VAL 4 Cb -0.12 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 1s6o s VAL 4 CO 0.02 0.31 -0.11 -0.22 0.00 0.00 0.00 175.10 175.10 1s6o s LEU 5 N 0.14 2.98 -0.18 3.92 0.20 0.29 -4.76 118.68 121.27 1s6o s LEU 5 Ca 0.45 -0.36 -0.01 0.00 0.69 0.00 0.00 54.13 54.90 1s6o s LEU 5 Cb -0.22 -1.77 0.00 0.00 -0.43 0.00 0.00 46.19 43.77 1s6o s LEU 5 CO 0.27 0.21 -0.13 -0.75 -0.29 0.00 0.00 176.35 175.66 1s6o s LYS 6 N -1.94 3.21 0.31 1.98 2.47 -1.26 -1.79 119.74 122.72 1s6o s LYS 6 Ca 0.19 -0.73 0.09 0.00 -1.56 0.00 0.00 55.97 53.96 1s6o s LYS 6 Cb -0.11 -2.71 -0.05 0.00 -1.46 0.00 0.00 37.83 33.50 1s6o s LYS 6 CO 0.11 -0.08 -0.01 0.00 0.16 0.00 0.00 175.35 175.53 1s6o s MET 7 N 1.07 2.10 -0.15 4.03 0.23 0.10 -1.72 119.30 124.97 1s6o s MET 7 Ca -0.00 -1.65 -0.03 0.00 -1.03 0.00 0.00 55.69 52.97 1s6o s MET 7 Cb -0.15 -1.99 -0.03 0.00 -1.53 0.00 0.00 34.83 31.14 1s6o s MET 7 CO -0.04 0.21 -0.03 0.15 -2.03 0.00 0.00 175.02 173.29 1s6o s LYS 8 N -3.69 3.58 -0.69 3.16 -0.14 0.61 -0.55 119.74 122.01 1s6o s LYS 8 Ca 0.34 -0.50 0.04 0.00 -1.36 0.00 0.00 55.97 54.48 1s6o s LYS 8 Cb -0.02 -2.90 0.33 0.00 -1.68 0.00 0.00 37.83 33.56 1s6o s LYS 8 CO 0.19 0.30 1.16 0.28 -0.76 0.00 0.00 175.35 176.53 1s6o n VAL 9 N 3.35 3.82 -1.72 3.17 0.31 0.61 -0.27 118.33 127.59 1s6o n VAL 9 Ca -0.17 -5.68 -0.42 0.00 -0.01 0.00 0.00 64.34 58.05 1s6o n VAL 9 Cb 0.53 -1.46 -0.02 0.00 -0.91 0.00 0.00 33.84 31.97 1s6o n VAL 9 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1s6o n GLU 10 N -0.17 2.60 0.00 5.55 -0.58 -1.23 -2.75 120.64 124.07 1s6o n GLU 10 Ca 0.35 0.93 0.00 0.00 -0.42 0.00 0.00 57.16 58.02 1s6o n GLU 10 Cb 0.36 -2.71 0.00 0.00 -0.57 0.00 0.00 31.44 28.52 1s6o n GLU 10 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s6o n GLY 11 N 2.72 3.15 2.79 0.62 0.00 -1.26 -4.08 105.19 109.12 1s6o n GLY 11 Ca 0.11 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 1s6o n GLY 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1s6o n MET 12 N 0.00 2.56 0.00 1.61 2.81 -1.11 -4.32 117.12 118.67 1s6o n MET 12 Ca 0.00 -2.36 0.00 0.00 -1.81 0.00 0.00 57.70 53.53 1s6o n MET 12 Cb 0.00 -3.15 0.00 0.00 -0.71 0.00 0.00 33.22 29.36 1s6o n MET 12 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1s6o n THR 13 N 5.20 0.06 0.00 2.03 5.66 -1.26 -4.62 114.28 121.34 1s6o n THR 13 Ca 0.53 -0.49 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 1s6o n THR 13 Cb 0.38 1.04 0.00 0.00 -1.55 0.00 0.00 70.33 70.20 1s6o n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1s6o s HIS 15 N -0.11 -0.49 -1.25 0.00 -3.43 -1.26 -5.00 115.29 103.75 1s6o s HIS 15 Ca 0.00 1.00 -0.01 0.00 -0.80 0.00 0.00 55.06 55.24 1s6o s HIS 15 Cb 0.00 0.31 -0.00 0.00 -1.43 0.00 0.00 32.58 31.45 1s6o s HIS 15 CO 0.00 -0.24 0.80 0.45 -2.00 0.00 0.00 174.74 173.75 1s6o n SER 16 N 3.48 -1.93 -2.71 7.38 2.88 -1.26 -4.95 113.62 116.51 1s6o n SER 16 Ca -0.18 -0.77 -0.23 0.00 -1.33 0.00 0.00 58.87 56.37 1s6o n SER 16 Cb 0.57 -4.39 -0.01 0.00 -0.75 0.00 0.00 64.21 59.63 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 -0.26 0.01 -0.27 0.00 -2.24 -1.26 -4.78 114.28 105.47 1s6o n THR 18 Ca 0.30 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 62.12 1s6o n THR 18 Cb 0.61 -0.24 0.18 0.00 -2.10 0.00 0.00 70.33 68.78 1s6o n THR 18 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1s6o h SER 19 N 0.00 0.48 -0.60 3.42 4.64 -1.89 0.54 113.55 120.14 1s6o h SER 19 Ca 0.00 0.08 0.06 0.00 -0.47 0.00 0.00 61.79 61.45 1s6o h SER 19 Cb 0.00 -0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.01 1s6o h SER 19 CO 0.00 0.24 -0.43 0.74 -0.87 0.00 0.00 176.83 176.51 1s6o h THR 20 N 0.61 0.00 -0.20 2.95 2.02 -1.91 0.13 112.91 116.50 1s6o h THR 20 Ca 0.40 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.60 1s6o h THR 20 Cb 0.50 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 1s6o h THR 20 CO -0.32 0.00 0.05 0.40 0.37 0.00 0.00 175.52 176.02 1s6o h ILE 21 N -0.10 0.92 0.66 3.11 5.03 -0.41 -0.33 117.51 126.39 1s6o h ILE 21 Ca 0.10 -0.05 -0.03 0.00 -0.12 0.00 0.00 64.86 64.76 1s6o h ILE 21 Cb 0.35 0.78 -0.01 0.00 -3.03 0.00 0.00 36.82 34.92 1s6o h ILE 21 CO -0.61 0.02 -0.45 -0.33 -0.68 0.00 0.00 178.15 176.10 1s6o h GLU 22 N 0.13 -1.02 -0.32 2.37 5.08 -0.02 0.12 114.58 120.93 1s6o h GLU 22 Ca 0.09 0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.59 1s6o h GLU 22 Cb 0.07 0.23 -0.08 0.00 0.50 0.00 0.00 28.75 29.47 1s6o h GLU 22 CO -0.11 -0.68 -0.29 0.78 -1.00 0.00 0.00 179.01 177.71 1s6o h GLY 23 N -1.06 -0.22 0.96 -3.84 0.00 -0.80 0.26 103.07 98.36 1s6o h GLY 23 Ca -0.09 0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 1s6o h GLY 23 CO 0.06 -0.21 -0.13 1.70 0.00 0.00 0.00 176.54 177.96 1s6o h LYS 24 N -0.26 -0.33 -0.39 4.80 3.11 -0.77 -1.59 116.57 121.14 1s6o h LYS 24 Ca 0.15 0.02 0.07 0.00 -2.81 0.00 0.00 60.65 58.09 1s6o h LYS 24 Cb 0.51 0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 31.80 1s6o h LYS 24 CO -0.46 -0.22 0.26 0.82 -2.81 0.00 0.00 179.45 177.04 1s6o h ILE 25 N -0.34 0.92 0.00 2.00 1.08 -0.58 -1.26 117.51 119.32 1s6o h ILE 25 Ca -0.02 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 1s6o h ILE 25 Cb 0.28 0.68 0.00 0.00 -3.07 0.00 0.00 36.82 34.71 1s6o h ILE 25 CO 0.03 0.04 0.28 1.23 -0.69 0.00 0.00 178.15 179.04 1s6o h GLY 26 N 0.22 0.00 1.32 5.37 0.00 0.56 0.13 103.07 110.67 1s6o h GLY 26 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1s6o h GLY 26 CO -0.03 0.00 -0.40 0.28 0.00 0.00 0.00 176.54 176.39 1s6o n LYS 27 N -2.73 0.11 -2.36 4.80 5.02 -0.48 -4.93 118.16 117.58 1s6o n LYS 27 Ca -0.02 0.04 -0.41 0.00 -2.02 0.00 0.00 58.31 55.90 1s6o n LYS 27 Cb 0.32 -1.58 -0.03 0.00 -0.02 0.00 0.00 35.03 33.72 1s6o n LYS 27 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1s6o s LEU 28 N -3.47 4.46 -0.24 -0.35 2.01 0.45 -4.92 118.68 116.61 1s6o s LEU 28 Ca 0.10 2.27 -0.30 0.00 0.01 0.00 0.00 54.13 56.21 1s6o s LEU 28 Cb 0.16 -3.61 -0.07 0.00 0.01 0.00 0.00 46.19 42.68 1s6o s LEU 28 CO 0.66 -0.36 2.21 0.00 1.01 0.00 0.00 176.35 179.87 1s6o n GLN 29 N 2.28 1.77 0.00 1.70 10.64 -1.26 -1.82 117.38 130.69 1s6o n GLN 29 Ca 0.04 0.49 0.00 0.00 -1.83 0.00 0.00 57.00 55.69 1s6o n GLN 29 Cb 0.44 -3.04 0.00 0.00 -0.86 0.00 0.00 30.24 26.78 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 5.92 1.74 3.73 2.61 0.00 -1.26 -3.90 105.19 114.03 1s6o n GLY 30 Ca 0.32 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.79 4.38 -0.16 1.61 1.01 -0.75 -3.71 120.40 120.98 1s6o s VAL 31 Ca 0.00 2.08 0.02 0.00 0.00 0.00 0.00 61.98 64.08 1s6o s VAL 31 Cb 0.00 -4.33 -0.12 0.00 0.00 0.00 0.00 36.38 31.94 1s6o s VAL 31 CO 0.00 0.37 -0.13 0.00 0.00 0.00 0.00 175.10 175.34 1s6o n GLN 32 N 2.43 0.59 -3.86 2.72 1.13 0.27 -4.88 117.38 115.78 1s6o n GLN 32 Ca 0.01 0.08 -0.09 0.00 -1.94 0.00 0.00 57.00 55.07 1s6o n GLN 32 Cb 0.49 -1.33 -0.04 0.00 0.11 0.00 0.00 30.24 29.46 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 -2.33 1.49 -0.09 -1.09 3.52 -1.09 -4.99 118.95 114.36 1s6o s ARG 33 Ca -0.21 -1.03 -0.15 0.00 -0.13 0.00 0.00 55.73 54.21 1s6o s ARG 33 Cb 0.06 0.51 0.03 0.00 -1.56 0.00 0.00 34.95 33.99 1s6o s ARG 33 CO 0.40 -0.63 0.38 -1.50 -0.81 0.00 0.00 175.30 173.14 1s6o s ILE 34 N -3.93 0.02 -0.06 4.11 2.07 -1.26 -0.39 121.20 121.75 1s6o s ILE 34 Ca 0.14 -0.18 0.02 0.00 -1.41 0.00 0.00 60.65 59.22 1s6o s ILE 34 Cb -0.01 -0.60 0.01 0.00 0.13 0.00 0.00 42.46 41.99 1s6o s ILE 34 CO 0.03 -0.10 -0.11 -0.54 -1.91 0.00 0.00 174.94 172.31 1s6o s LYS 35 N -0.47 1.57 -0.15 3.50 3.01 0.49 -4.98 119.74 122.72 1s6o s LYS 35 Ca -0.06 -0.36 0.02 0.00 -1.01 0.00 0.00 55.97 54.56 1s6o s LYS 35 Cb -0.04 -1.33 0.01 0.00 -1.01 0.00 0.00 37.83 35.47 1s6o s LYS 35 CO 0.03 0.00 -0.20 0.08 0.51 0.00 0.00 175.35 175.76 1s6o s VAL 36 N 0.73 1.97 0.58 3.17 1.01 -1.26 -0.50 120.40 126.10 1s6o s VAL 36 Ca -0.13 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 60.82 1s6o s VAL 36 Cb -0.15 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 1s6o s VAL 36 CO 0.03 0.53 0.98 -0.55 0.00 0.00 0.00 175.10 176.09 1s6o s SER 37 N 1.00 6.30 -0.03 3.32 0.15 0.06 -4.83 113.70 119.66 1s6o s SER 37 Ca -0.03 1.36 -0.03 0.00 0.70 0.00 0.00 55.95 57.95 1s6o s SER 37 Cb -0.15 -2.44 -0.01 0.00 -1.71 0.00 0.00 66.02 61.71 1s6o s SER 37 CO -0.05 -0.77 -0.06 0.18 1.20 0.00 0.00 173.24 173.74 1s6o n LEU 38 N -2.45 0.39 -0.19 3.45 4.77 -1.26 -4.29 117.00 117.42 1s6o n LEU 38 Ca 0.05 0.18 -0.06 0.00 -0.03 0.00 0.00 56.01 56.15 1s6o n LEU 38 Cb 0.54 -0.56 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 1s6o n LEU 38 CO 0.55 -0.47 0.62 0.44 -1.33 0.00 0.00 177.39 177.20 1s6o h ASP 39 N -0.21 -1.21 1.65 -1.43 5.19 -1.89 0.97 116.42 119.49 1s6o h ASP 39 Ca 0.00 0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 1s6o h ASP 39 Cb 0.16 0.58 0.00 0.00 0.18 0.00 0.00 39.33 40.26 1s6o h ASP 39 CO 0.00 -0.31 0.00 -1.13 -3.12 0.00 0.00 179.24 174.68 1s6o h ASN 40 N -0.19 0.00 -1.10 6.45 -1.24 -1.97 -3.46 115.58 114.07 1s6o h ASN 40 Ca 0.21 0.00 -0.29 0.00 0.71 0.00 0.00 56.30 56.94 1s6o h ASN 40 Cb 0.55 0.00 -0.11 0.00 0.73 0.00 0.00 38.32 39.49 1s6o h ASN 40 CO -0.66 0.00 -0.26 0.00 -1.29 0.00 0.00 177.43 175.23 1s6o n GLN 41 N -2.90 -1.42 -3.96 6.67 6.02 0.33 -4.97 117.38 117.16 1s6o n GLN 41 Ca 0.04 0.87 -0.29 0.00 -0.01 0.00 0.00 57.00 57.61 1s6o n GLN 41 Cb 0.45 -5.13 -0.04 0.00 1.02 0.00 0.00 30.24 26.55 1s6o n GLN 41 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1s6o s GLU 42 N -3.12 3.34 0.02 -1.09 2.56 -1.26 -0.28 118.70 118.86 1s6o s GLU 42 Ca 0.00 -0.56 -0.12 0.00 0.00 0.00 0.00 54.97 54.30 1s6o s GLU 42 Cb 0.00 -2.95 0.01 0.00 2.00 0.00 0.00 34.13 33.19 1s6o s GLU 42 CO 0.00 0.56 0.25 0.00 -0.56 0.00 0.00 175.26 175.51 1s6o s ALA 43 N -1.60 -0.56 -0.15 6.30 0.00 0.28 -0.76 121.76 125.27 1s6o s ALA 43 Ca 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 51.96 52.29 1s6o s ALA 43 Cb -0.12 0.20 0.04 0.00 0.00 0.00 0.00 23.12 23.24 1s6o s ALA 43 CO 0.27 -0.32 -0.04 0.99 0.00 0.00 0.00 175.76 176.66 1s6o s THR 44 N -1.98 0.96 0.21 0.00 2.01 0.34 -0.72 115.64 116.47 1s6o s THR 44 Ca -0.09 -0.51 0.06 0.00 0.31 0.00 0.00 61.69 61.46 1s6o s THR 44 Cb -0.03 -1.15 -0.04 0.00 0.01 0.00 0.00 72.50 71.29 1s6o s THR 44 CO -0.00 0.13 0.20 -0.63 -0.69 0.00 0.00 174.62 173.63 1s6o s ILE 45 N 1.70 4.59 -0.16 1.82 1.01 -0.74 -0.38 121.20 129.04 1s6o s ILE 45 Ca 0.01 -1.21 -0.00 0.00 0.00 0.00 0.00 60.65 59.45 1s6o s ILE 45 Cb -0.15 -3.43 0.04 0.00 0.01 0.00 0.00 42.46 38.93 1s6o s ILE 45 CO -0.08 -0.25 -0.08 0.54 0.00 0.00 0.00 174.94 175.07 1s6o s VAL 46 N -1.97 1.29 0.38 2.92 0.11 0.47 -0.55 120.40 123.06 1s6o s VAL 46 Ca 0.32 -0.66 -0.15 0.00 -2.93 0.00 0.00 61.98 58.56 1s6o s VAL 46 Cb -0.09 -1.38 0.05 0.00 -1.53 0.00 0.00 36.38 33.43 1s6o s VAL 46 CO 0.25 0.23 0.77 -0.72 -3.33 0.00 0.00 175.10 172.29 1s6o s TYR 47 N 1.57 0.19 0.02 1.54 -0.85 -0.11 -0.56 117.35 119.15 1s6o s TYR 47 Ca 0.02 -0.83 0.01 0.00 -0.52 0.00 0.00 57.07 55.74 1s6o s TYR 47 Cb -0.15 0.77 -0.02 0.00 0.38 0.00 0.00 41.96 42.94 1s6o s TYR 47 CO -0.08 -1.54 -0.04 1.14 -1.52 0.00 0.00 175.55 173.51 1s6o s GLN 48 N -2.38 0.36 -1.00 -3.49 -2.07 -1.24 -0.24 119.66 109.59 1s6o s GLN 48 Ca 0.17 -0.63 -0.22 0.00 -1.82 0.00 0.00 55.36 52.86 1s6o s GLN 48 Cb -0.05 0.00 -0.12 0.00 -1.09 0.00 0.00 33.01 31.76 1s6o s GLN 48 CO 0.12 -0.02 1.92 -0.35 -1.32 0.00 0.00 175.29 175.64 1s6o n PRO 49 N 1.62 1.59 0.10 9.60 -0.04 -1.26 -3.60 135.00 143.02 1s6o n PRO 49 Ca -0.23 -2.21 0.00 0.00 -0.04 0.00 0.00 63.50 61.02 1s6o n PRO 49 Cb 0.55 -3.36 0.00 0.00 -0.04 0.00 0.00 33.50 30.65 1s6o n PRO 49 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1s6o n HIS 50 N 11.14 -1.82 0.06 0.54 8.25 -1.26 -4.92 115.22 127.22 1s6o n HIS 50 Ca 0.47 0.32 0.05 0.00 -0.26 0.00 0.00 57.72 58.31 1s6o n HIS 50 Cb 0.44 0.56 -0.05 0.00 1.12 0.00 0.00 29.99 32.06 1s6o n HIS 50 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1s6o n LEU 51 N -3.20 0.84 -4.35 2.41 4.77 -1.24 -4.92 117.00 111.31 1s6o n LEU 51 Ca 0.00 0.35 -0.28 0.00 -0.03 0.00 0.00 56.01 56.05 1s6o n LEU 51 Cb 0.00 0.01 -0.13 0.00 -2.33 0.00 0.00 43.42 40.97 1s6o n LEU 51 CO 0.00 -0.01 -0.55 -0.51 -1.33 0.00 0.00 177.39 174.99 1s6o s ILE 52 N -3.14 2.06 -0.55 -0.08 1.10 -1.25 -4.74 121.20 114.61 1s6o s ILE 52 Ca -0.02 -1.63 0.01 0.00 -0.51 0.00 0.00 60.65 58.51 1s6o s ILE 52 Cb 0.09 -1.83 0.11 0.00 0.15 0.00 0.00 42.46 40.98 1s6o s ILE 52 CO 0.80 0.09 0.87 -1.20 -2.11 0.00 0.00 174.94 173.39 1s6o n SER 53 N 1.11 2.28 0.00 4.50 7.64 -1.26 -4.50 113.62 123.38 1s6o n SER 53 Ca -0.18 -2.17 0.00 0.00 1.01 0.00 0.00 58.87 57.52 1s6o n SER 53 Cb 0.53 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 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 0.16 0.00 -0.14 0.44 0.31 -1.26 -3.82 118.33 114.02 1s6o n VAL 54 Ca 0.06 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.27 1s6o n VAL 54 Cb 0.50 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.43 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 0.97 -0.83 5.55 4.57 -2.00 -3.22 114.58 119.61 1s6o h GLU 55 Ca 0.00 -0.46 0.13 0.00 -1.18 0.00 0.00 59.36 57.86 1s6o h GLU 55 Cb 0.00 -0.01 -0.14 0.00 -0.16 0.00 0.00 28.75 28.44 1s6o h GLU 55 CO 0.00 1.12 -0.37 0.93 -1.18 0.00 0.00 179.01 179.51 1s6o h GLU 56 N 0.82 -0.06 -0.76 1.92 5.08 -1.94 -1.56 114.58 118.07 1s6o h GLU 56 Ca 0.09 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.61 1s6o h GLU 56 Cb 0.88 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 30.00 1s6o h GLU 56 CO 0.08 -0.04 -0.18 1.98 -1.00 0.00 0.00 179.01 179.85 1s6o h MET 57 N -0.07 0.00 -0.25 2.33 4.05 -1.90 0.25 114.93 119.35 1s6o h MET 57 Ca 0.30 -0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.60 1s6o h MET 57 Cb 0.58 -0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.37 1s6o h MET 57 CO -0.87 0.00 -0.32 -0.22 0.23 0.00 0.00 176.91 175.74 1s6o h LYS 58 N 0.00 0.66 -0.70 0.39 3.11 -1.52 -3.07 116.57 115.44 1s6o h LYS 58 Ca 0.37 -0.37 0.10 0.00 -2.81 0.00 0.00 60.65 57.93 1s6o h LYS 58 Cb 0.57 0.03 -0.05 0.00 -1.00 0.00 0.00 32.23 31.78 1s6o h LYS 58 CO -0.78 0.99 0.46 0.87 -2.81 0.00 0.00 179.45 178.18 1s6o h LYS 59 N 0.37 0.55 -0.68 1.90 1.79 0.25 -1.12 116.57 119.63 1s6o h LYS 59 Ca 0.03 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1s6o h LYS 59 Cb 0.90 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 31.40 1s6o h LYS 59 CO 0.08 0.36 0.34 1.96 -1.08 0.00 0.00 179.45 181.11 1s6o h GLN 60 N 0.57 0.96 -0.27 3.15 1.08 -0.57 0.08 115.11 120.11 1s6o h GLN 60 Ca 0.32 -0.13 0.01 0.00 -1.45 0.00 0.00 58.65 57.40 1s6o h GLN 60 Cb 0.50 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 1s6o h GLN 60 CO -0.11 0.75 0.17 0.82 -0.95 0.00 0.00 178.83 179.51 1s6o h ILE 61 N 0.93 1.05 -0.50 2.54 5.03 -1.30 -2.73 117.51 122.53 1s6o h ILE 61 Ca 0.23 -0.12 0.10 0.00 -0.12 0.00 0.00 64.86 64.96 1s6o h ILE 61 Cb 0.09 0.67 -0.09 0.00 -3.03 0.00 0.00 36.82 34.47 1s6o h ILE 61 CO -0.03 0.06 -0.06 -0.33 -0.68 0.00 0.00 178.15 177.11 1s6o h GLU 62 N 0.35 0.05 0.00 2.37 5.08 0.01 -0.22 114.58 122.22 1s6o h GLU 62 Ca 0.10 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1s6o h GLU 62 Cb -0.02 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1s6o h GLU 62 CO -0.04 0.03 0.01 0.00 -1.00 0.00 0.00 179.01 178.02 1s6o h ALA 63 N 1.48 1.01 0.00 3.43 0.00 -0.87 0.21 119.26 124.51 1s6o h ALA 63 Ca 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1s6o h ALA 63 Cb 0.38 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1s6o h ALA 63 CO -0.47 -0.01 -0.06 0.52 0.00 0.00 0.00 179.25 179.23 1s6o h MET 64 N 0.00 0.00 0.00 0.00 2.86 -0.72 -3.46 114.93 113.61 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 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1s6o h MET 64 CO 0.00 0.06 0.00 0.41 1.06 0.00 0.00 176.91 178.44 1s6o n GLY 65 N -1.29 0.95 3.12 8.32 0.00 0.67 -5.15 105.19 111.80 1s6o n GLY 65 Ca -0.03 0.00 -0.12 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 -1.70 -0.54 -0.24 1.61 0.08 -0.70 -5.10 117.98 111.39 1s6o s PHE 66 Ca 0.00 1.15 -0.28 0.00 0.12 0.00 0.00 56.93 57.91 1s6o s PHE 66 Cb 0.00 0.11 -0.04 0.00 -0.57 0.00 0.00 43.02 42.52 1s6o s PHE 66 CO 0.00 -0.38 1.99 -1.25 -0.10 0.00 0.00 175.22 175.49 1s6o s PRO 67 N 2.24 3.34 0.36 0.24 0.04 -1.26 -4.10 135.00 135.87 1s6o s PRO 67 Ca -0.02 1.83 0.03 0.00 0.04 0.00 0.00 61.00 62.89 1s6o s PRO 67 Cb -0.11 -4.26 0.03 0.00 0.04 0.00 0.00 34.50 30.20 1s6o s PRO 67 CO -0.10 -1.85 0.29 0.00 0.04 0.00 0.00 177.00 175.37 1s6o n ALA 68 N 10.57 0.57 -3.53 8.56 0.00 -1.26 -3.50 120.51 131.92 1s6o n ALA 68 Ca 0.26 -1.44 -0.17 0.00 0.00 0.00 0.00 53.44 52.08 1s6o n ALA 68 Cb 0.45 0.58 -0.06 0.00 0.00 0.00 0.00 19.45 20.42 1s6o n ALA 68 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1s6o s PHE 69 N -1.75 -0.65 -0.12 0.00 2.19 0.62 -4.94 117.98 113.33 1s6o s PHE 69 Ca 0.22 1.12 0.03 0.00 0.33 0.00 0.00 56.93 58.62 1s6o s PHE 69 Cb -0.02 0.41 0.00 0.00 -1.31 0.00 0.00 43.02 42.10 1s6o s PHE 69 CO 0.14 -0.59 -0.21 0.54 1.83 0.00 0.00 175.22 176.92 1s6o s VAL 70 N -1.15 2.22 0.00 3.12 0.11 -1.26 -0.29 120.40 123.15 1s6o s VAL 70 Ca -0.10 -0.95 0.00 0.00 -2.93 0.00 0.00 61.98 58.00 1s6o s VAL 70 Cb -0.00 -1.88 0.00 0.00 -1.53 0.00 0.00 36.38 32.97 1s6o s VAL 70 CO 0.09 0.55 0.06 0.29 -3.33 0.00 0.00 175.10 172.76 1s6o n LYS 71 N 3.77 0.00 -3.52 1.54 5.02 -0.70 -4.99 118.16 119.29 1s6o n LYS 71 Ca -0.19 0.34 -0.15 0.00 -2.02 0.00 0.00 58.31 56.28 1s6o n LYS 71 Cb 0.52 -0.88 -0.05 0.00 -0.02 0.00 0.00 35.03 34.61 1s6o n LYS 71 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1s6o s LYS 72 N -0.80 1.10 -0.29 1.97 -2.85 -1.26 -5.09 119.74 112.52 1s6o s LYS 72 Ca 0.00 -0.07 -0.10 0.00 -1.00 0.00 0.00 55.97 54.80 1s6o s LYS 72 Cb 0.00 0.51 0.12 0.00 -2.06 0.00 0.00 37.83 36.40 1s6o s LYS 72 CO 0.00 -0.39 0.63 -1.50 0.10 0.00 0.00 175.35 174.18 1s6o s ILE 73 N -2.17 -0.92 0.11 3.79 -1.16 -1.26 -4.07 121.20 115.52 1s6o s ILE 73 Ca -0.07 0.02 -0.21 0.00 -0.51 0.00 0.00 60.65 59.88 1s6o s ILE 73 Cb -0.01 -0.97 0.05 0.00 0.61 0.00 0.00 42.46 42.15 1s6o s ILE 73 CO 0.01 0.01 0.52 -1.61 -2.81 0.00 0.00 174.94 171.06 1s6o s GLU 74 N 2.81 1.14 0.00 3.50 2.02 -1.26 -5.07 118.70 121.83 1s6o s GLU 74 Ca -0.06 -0.44 0.00 0.00 0.02 0.00 0.00 54.97 54.49 1s6o s GLU 74 Cb -0.12 0.52 0.00 0.00 0.10 0.00 0.00 34.13 34.63 1s6o s GLU 74 CO -0.18 -0.45 0.00 0.41 0.02 0.00 0.00 175.26 175.05 1s6o n GLY 75 N -0.05 3.88 0.00 -1.39 0.00 -1.26 -4.88 105.19 101.49 1s6o n GLY 75 Ca -0.17 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1s6o n GLY 75 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36