#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 2.16 -4.50 1.61 0.28 -1.26 -4.78 120.64 114.15 1s6o n GLU 2 Ca 0.00 0.79 -0.32 0.00 -0.16 0.00 0.00 57.16 57.47 1s6o n GLU 2 Cb 0.00 -2.62 -0.11 0.00 1.43 0.00 0.00 31.44 30.15 1s6o n GLU 2 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1s6o s VAL 3 N 3.43 3.56 0.25 3.84 -7.23 0.24 -4.83 120.40 119.67 1s6o s VAL 3 Ca 0.90 -0.79 -0.29 0.00 -1.81 0.00 0.00 61.98 59.99 1s6o s VAL 3 Cb -0.69 -2.54 -0.09 0.00 0.56 0.00 0.00 36.38 33.62 1s6o s VAL 3 CO 0.49 0.41 0.96 -0.69 -0.31 0.00 0.00 175.10 175.96 1s6o s VAL 4 N -0.97 4.01 -0.09 1.32 1.01 -1.26 -1.13 120.40 123.29 1s6o s VAL 4 Ca 0.16 1.99 0.03 0.00 0.00 0.00 0.00 61.98 64.16 1s6o s VAL 4 Cb -0.11 -4.25 0.01 0.00 0.00 0.00 0.00 36.38 32.03 1s6o s VAL 4 CO 0.07 0.44 -0.19 -0.22 0.00 0.00 0.00 175.10 175.20 1s6o s LEU 5 N -1.31 1.90 -0.15 3.92 1.98 0.38 -3.86 118.68 121.53 1s6o s LEU 5 Ca 0.42 -0.46 -0.04 0.00 -2.89 0.00 0.00 54.13 51.17 1s6o s LEU 5 Cb -0.26 -1.18 -0.03 0.00 0.66 0.00 0.00 46.19 45.39 1s6o s LEU 5 CO 0.32 0.10 -0.03 -0.75 -1.89 0.00 0.00 176.35 174.10 1s6o s LYS 6 N 0.54 3.65 0.06 1.98 2.20 -1.09 -0.77 119.74 126.31 1s6o s LYS 6 Ca -0.16 -0.51 0.00 0.00 -0.36 0.00 0.00 55.97 54.95 1s6o s LYS 6 Cb -0.17 -2.92 -0.04 0.00 -1.51 0.00 0.00 37.83 33.20 1s6o s LYS 6 CO 0.06 0.27 -0.05 0.00 -0.36 0.00 0.00 175.35 175.27 1s6o s MET 7 N 0.30 0.64 0.19 4.03 0.23 -0.07 -0.83 119.30 123.78 1s6o s MET 7 Ca -0.03 -1.13 -0.17 0.00 -1.03 0.00 0.00 55.69 53.32 1s6o s MET 7 Cb -0.14 0.01 -0.08 0.00 -1.53 0.00 0.00 34.83 33.09 1s6o s MET 7 CO 0.03 -0.06 0.65 0.15 -2.03 0.00 0.00 175.02 173.76 1s6o s LYS 8 N -3.33 4.14 -0.52 3.16 -0.14 0.01 -0.76 119.74 122.30 1s6o s LYS 8 Ca 0.04 0.71 0.07 0.00 -1.36 0.00 0.00 55.97 55.43 1s6o s LYS 8 Cb 0.03 -2.91 0.28 0.00 -1.68 0.00 0.00 37.83 33.55 1s6o s LYS 8 CO -0.06 0.44 0.73 0.28 -0.76 0.00 0.00 175.35 175.97 1s6o n VAL 9 N 0.79 1.29 -1.82 3.17 0.31 0.29 -3.01 118.33 119.35 1s6o n VAL 9 Ca -0.04 -4.87 -0.29 0.00 -0.01 0.00 0.00 64.34 59.13 1s6o n VAL 9 Cb 0.51 -1.62 0.14 0.00 -0.91 0.00 0.00 33.84 31.96 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 -2.33 1.18 0.00 5.55 2.02 -1.25 -4.29 118.70 119.57 1s6o s GLU 10 Ca 0.41 -0.07 0.00 0.00 0.02 0.00 0.00 54.97 55.32 1s6o s GLU 10 Cb 0.21 -1.88 0.00 0.00 0.10 0.00 0.00 34.13 32.57 1s6o s GLU 10 CO -0.08 -2.10 0.00 0.41 0.02 0.00 0.00 175.26 173.51 1s6o n GLY 11 N -3.21 0.83 3.49 -1.39 0.00 -1.26 -4.42 105.19 99.23 1s6o n GLY 11 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 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 0.74 -1.62 1.61 2.81 -1.26 -4.94 117.12 114.46 1s6o n MET 12 Ca 0.00 0.26 -0.38 0.00 -1.81 0.00 0.00 57.70 55.77 1s6o n MET 12 Cb 0.00 -1.55 0.05 0.00 -0.71 0.00 0.00 33.22 31.01 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 -0.40 3.51 -0.66 2.03 5.66 -1.26 -5.00 114.28 118.14 1s6o n THR 13 Ca 0.12 -0.50 -0.30 0.00 -3.05 0.00 0.00 64.05 60.31 1s6o n THR 13 Cb 0.35 -1.17 0.19 0.00 -1.55 0.00 0.00 70.33 68.14 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 -4.39 0.00 0.07 0.00 -0.00 -1.26 -4.48 115.22 105.16 1s6o n HIS 15 Ca 0.10 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.28 1s6o n HIS 15 Cb 0.53 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.40 1s6o n HIS 15 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1s6o n SER 16 N 0.43 -1.31 -3.53 0.26 7.64 -1.26 -5.03 113.62 110.82 1s6o n SER 16 Ca 0.00 0.51 -0.41 0.00 1.01 0.00 0.00 58.87 59.98 1s6o n SER 16 Cb 0.00 1.48 -0.01 0.00 -1.01 0.00 0.00 64.21 64.67 1s6o n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s6o n THR 18 N 4.35 0.00 -0.25 0.00 -2.24 -1.26 -4.77 114.28 110.11 1s6o n THR 18 Ca 0.65 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.52 1s6o n THR 18 Cb 0.31 -0.46 0.35 0.00 -2.10 0.00 0.00 70.33 68.42 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 0.70 0.03 3.42 0.02 -1.95 0.52 113.55 116.29 1s6o h SER 19 Ca 0.00 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1s6o h SER 19 Cb 0.00 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.37 1s6o h SER 19 CO 0.00 0.41 -0.38 0.74 -1.14 0.00 0.00 176.83 176.46 1s6o h THR 20 N 0.77 0.21 -0.17 -2.27 2.02 -1.92 0.11 112.91 111.67 1s6o h THR 20 Ca 0.39 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.60 1s6o h THR 20 Cb 0.48 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1s6o h THR 20 CO -0.16 0.00 -0.01 0.40 0.37 0.00 0.00 175.52 176.12 1s6o h ILE 21 N -0.56 0.87 0.20 3.11 5.03 -0.40 0.72 117.51 126.49 1s6o h ILE 21 Ca 0.05 -0.01 -0.00 0.00 -0.12 0.00 0.00 64.86 64.77 1s6o h ILE 21 Cb 0.62 0.83 -0.02 0.00 -3.03 0.00 0.00 36.82 35.22 1s6o h ILE 21 CO -0.28 0.01 -0.31 -0.33 -0.68 0.00 0.00 178.15 176.56 1s6o h GLU 22 N 0.04 -0.52 -0.61 2.37 5.08 -0.47 0.13 114.58 120.60 1s6o h GLU 22 Ca 0.08 0.04 0.12 0.00 -1.00 0.00 0.00 59.36 58.59 1s6o h GLU 22 Cb 0.10 0.12 -0.12 0.00 0.50 0.00 0.00 28.75 29.35 1s6o h GLU 22 CO -0.14 -0.35 -0.21 0.78 -1.00 0.00 0.00 179.01 178.09 1s6o h GLY 23 N -0.54 0.28 0.62 -3.84 0.00 -0.77 0.30 103.07 99.12 1s6o h GLY 23 Ca -0.02 0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.56 1s6o h GLY 23 CO -0.10 -0.24 -0.30 1.70 0.00 0.00 0.00 176.54 177.60 1s6o h LYS 24 N -0.06 -0.81 -1.00 4.80 1.63 -0.48 -3.09 116.57 117.57 1s6o h LYS 24 Ca 0.28 0.05 0.15 0.00 -0.85 0.00 0.00 60.65 60.29 1s6o h LYS 24 Cb 0.50 0.18 -0.09 0.00 -0.60 0.00 0.00 32.23 32.22 1s6o h LYS 24 CO -0.66 -0.54 0.62 0.82 -3.45 0.00 0.00 179.45 176.24 1s6o h ILE 25 N -0.85 0.83 -0.26 2.00 5.03 -0.64 -0.58 117.51 123.03 1s6o h ILE 25 Ca -0.09 -0.31 0.08 0.00 -0.12 0.00 0.00 64.86 64.42 1s6o h ILE 25 Cb 0.64 -0.15 -0.01 0.00 -3.03 0.00 0.00 36.82 34.27 1s6o h ILE 25 CO 0.14 0.16 0.42 1.23 -0.68 0.00 0.00 178.15 179.42 1s6o h GLY 26 N 0.90 0.00 1.13 5.37 0.00 -0.32 0.16 103.07 110.31 1s6o h GLY 26 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1s6o h GLY 26 CO -0.31 0.00 -0.74 0.50 0.00 0.00 0.00 176.54 175.99 1s6o h LYS 27 N 0.00 0.00 -6.73 4.80 1.57 -1.04 -3.46 116.57 111.70 1s6o h LYS 27 Ca 0.13 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.38 1s6o h LYS 27 Cb 0.96 0.00 0.05 0.00 0.08 0.00 0.00 32.23 33.32 1s6o h LYS 27 CO -0.00 0.00 0.75 -0.51 -0.57 0.00 0.00 179.45 179.12 1s6o s LEU 28 N -4.74 4.39 -0.42 2.94 2.01 0.56 -4.87 118.68 118.55 1s6o s LEU 28 Ca 0.04 2.63 -0.32 0.00 0.01 0.00 0.00 54.13 56.48 1s6o s LEU 28 Cb 0.12 -3.62 -0.11 0.00 0.01 0.00 0.00 46.19 42.59 1s6o s LEU 28 CO 0.75 -0.69 2.29 0.00 1.01 0.00 0.00 176.35 179.71 1s6o n GLN 29 N 2.48 1.08 0.00 1.70 10.64 -1.26 -1.17 117.38 130.85 1s6o n GLN 29 Ca 0.07 0.24 0.00 0.00 -1.83 0.00 0.00 57.00 55.48 1s6o n GLN 29 Cb 0.40 -2.65 0.00 0.00 -0.86 0.00 0.00 30.24 27.13 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 6.34 1.41 3.74 2.61 0.00 -1.26 -3.72 105.19 114.31 1s6o n GLY 30 Ca 0.41 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.57 4.23 -0.23 1.61 1.01 -0.31 -3.60 120.40 122.54 1s6o s VAL 31 Ca 0.00 2.01 -0.06 0.00 0.00 0.00 0.00 61.98 63.93 1s6o s VAL 31 Cb 0.00 -4.28 -0.12 0.00 0.00 0.00 0.00 36.38 31.98 1s6o s VAL 31 CO 0.00 0.38 -0.25 0.00 0.00 0.00 0.00 175.10 175.23 1s6o n GLN 32 N 2.19 0.52 -3.64 2.72 1.13 0.41 -4.85 117.38 115.85 1s6o n GLN 32 Ca 0.01 0.18 -0.10 0.00 -1.94 0.00 0.00 57.00 55.14 1s6o n GLN 32 Cb 0.48 -1.38 -0.05 0.00 0.11 0.00 0.00 30.24 29.41 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 -2.43 1.08 -0.01 -1.09 6.06 -1.20 -5.00 118.95 116.35 1s6o s ARG 33 Ca -0.31 -0.72 -0.01 0.00 -2.50 0.00 0.00 55.73 52.19 1s6o s ARG 33 Cb 0.10 0.47 0.00 0.00 0.06 0.00 0.00 34.95 35.59 1s6o s ARG 33 CO 0.45 -0.42 0.04 -1.50 -2.50 0.00 0.00 175.30 171.37 1s6o s ILE 34 N -3.81 0.00 -0.12 4.11 2.07 -1.26 -1.16 121.20 121.03 1s6o s ILE 34 Ca 0.03 -0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.26 1s6o s ILE 34 Cb 0.02 -0.06 0.04 0.00 0.13 0.00 0.00 42.46 42.58 1s6o s ILE 34 CO -0.12 -0.00 -0.02 -0.54 -1.91 0.00 0.00 174.94 172.36 1s6o s LYS 35 N 0.02 0.94 -0.37 3.50 3.01 0.42 -4.99 119.74 122.26 1s6o s LYS 35 Ca -0.00 -0.18 -0.07 0.00 -1.01 0.00 0.00 55.97 54.71 1s6o s LYS 35 Cb -0.00 -1.50 0.06 0.00 -1.01 0.00 0.00 37.83 35.37 1s6o s LYS 35 CO 0.00 -0.39 0.17 0.08 0.51 0.00 0.00 175.35 175.72 1s6o s VAL 36 N 1.84 3.93 -0.94 3.17 1.01 -1.26 -0.44 120.40 127.71 1s6o s VAL 36 Ca 0.03 -1.27 -0.18 0.00 0.00 0.00 0.00 61.98 60.56 1s6o s VAL 36 Cb -0.14 -3.32 0.13 0.00 0.00 0.00 0.00 36.38 33.06 1s6o s VAL 36 CO -0.07 -0.32 1.14 -0.55 0.00 0.00 0.00 175.10 175.30 1s6o s SER 37 N 1.67 6.65 0.21 3.32 0.15 -0.42 -4.84 113.70 120.43 1s6o s SER 37 Ca 0.01 -2.09 -0.10 0.00 0.70 0.00 0.00 55.95 54.47 1s6o s SER 37 Cb -0.21 -2.40 0.28 0.00 -1.71 0.00 0.00 66.02 61.98 1s6o s SER 37 CO 0.02 -1.05 1.74 0.25 1.20 0.00 0.00 173.24 175.40 1s6o h LEU 38 N 10.38 0.18 -0.72 3.45 6.46 -1.92 0.12 115.31 133.26 1s6o h LEU 38 Ca 0.17 0.08 0.07 0.00 -0.12 0.00 0.00 57.88 58.08 1s6o h LEU 38 Cb 1.02 0.08 -0.10 0.00 -0.73 0.00 0.00 40.66 40.93 1s6o h LEU 38 CO 1.11 0.11 -0.51 0.44 -0.62 0.00 0.00 178.44 178.97 1s6o h ASP 39 N 0.38 -1.83 0.76 1.25 5.19 -1.92 0.39 116.42 120.63 1s6o h ASP 39 Ca 0.31 0.27 0.00 0.00 -0.62 0.00 0.00 57.03 56.98 1s6o h ASP 39 Cb 0.40 0.79 0.00 0.00 0.18 0.00 0.00 39.33 40.70 1s6o h ASP 39 CO -0.32 -0.25 0.00 -3.20 -3.12 0.00 0.00 179.24 172.35 1s6o n ASN 40 N -5.01 0.00 0.00 6.45 5.15 -0.65 -4.85 115.26 116.34 1s6o n ASN 40 Ca 0.00 0.49 0.00 0.00 -0.60 0.00 0.00 54.58 54.47 1s6o n ASN 40 Cb 0.25 -0.50 0.00 0.00 -0.53 0.00 0.00 39.78 39.01 1s6o n ASN 40 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1s6o n GLN 41 N -1.50 -0.86 -4.93 1.20 6.02 0.34 -4.96 117.38 112.69 1s6o n GLN 41 Ca 0.05 0.22 -0.30 0.00 -0.01 0.00 0.00 57.00 56.96 1s6o n GLN 41 Cb 0.26 -4.11 -0.15 0.00 1.02 0.00 0.00 30.24 27.26 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 -1.07 1.83 0.10 -1.09 2.12 -0.96 -0.55 118.70 119.08 1s6o s GLU 42 Ca 0.00 -1.10 0.04 0.00 0.36 0.00 0.00 54.97 54.28 1s6o s GLU 42 Cb 0.00 -1.99 -0.04 0.00 0.26 0.00 0.00 34.13 32.36 1s6o s GLU 42 CO 0.00 0.52 -0.11 0.00 -0.54 0.00 0.00 175.26 175.12 1s6o s ALA 43 N -0.80 1.22 -0.16 6.30 0.00 0.06 -1.31 121.76 127.08 1s6o s ALA 43 Ca 0.12 -1.22 -0.03 0.00 0.00 0.00 0.00 51.96 50.83 1s6o s ALA 43 Cb -0.10 -0.00 0.05 0.00 0.00 0.00 0.00 23.12 23.07 1s6o s ALA 43 CO 0.02 0.00 0.03 0.99 0.00 0.00 0.00 175.76 176.81 1s6o s THR 44 N -2.36 0.39 0.40 0.00 2.01 0.42 -0.90 115.64 115.60 1s6o s THR 44 Ca 0.06 -0.31 0.08 0.00 0.31 0.00 0.00 61.69 61.83 1s6o s THR 44 Cb -0.03 -0.82 -0.06 0.00 0.01 0.00 0.00 72.50 71.59 1s6o s THR 44 CO 0.01 -0.09 0.10 -0.63 -0.69 0.00 0.00 174.62 173.32 1s6o s ILE 45 N 1.93 2.28 -0.05 1.82 1.01 0.05 -0.44 121.20 127.81 1s6o s ILE 45 Ca 0.01 -1.83 -0.01 0.00 0.00 0.00 0.00 60.65 58.83 1s6o s ILE 45 Cb -0.16 -2.96 0.03 0.00 0.01 0.00 0.00 42.46 39.38 1s6o s ILE 45 CO -0.07 -0.04 0.02 0.54 0.00 0.00 0.00 174.94 175.39 1s6o s VAL 46 N -2.62 0.15 0.33 2.92 0.11 -0.31 -0.47 120.40 120.52 1s6o s VAL 46 Ca 0.38 0.21 -0.12 0.00 -2.93 0.00 0.00 61.98 59.52 1s6o s VAL 46 Cb 0.05 -0.31 0.05 0.00 -1.53 0.00 0.00 36.38 34.63 1s6o s VAL 46 CO 0.21 0.19 0.65 0.00 -3.33 0.00 0.00 175.10 172.82 1s6o n TYR 47 N 4.81 -2.10 -4.18 1.54 0.18 -0.28 -0.44 117.16 116.69 1s6o n TYR 47 Ca -0.13 -1.60 -0.18 0.00 1.88 0.00 0.00 57.90 57.87 1s6o n TYR 47 Cb 0.50 0.76 -0.12 0.00 -0.38 0.00 0.00 39.34 40.11 1s6o n TYR 47 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 1s6o s GLN 48 N -2.12 0.83 -0.84 -3.48 -0.21 -1.24 -0.59 119.66 112.01 1s6o s GLN 48 Ca 0.14 -0.98 -0.24 0.00 0.02 0.00 0.00 55.36 54.30 1s6o s GLN 48 Cb -0.04 -0.83 -0.18 0.00 1.00 0.00 0.00 33.01 32.96 1s6o s GLN 48 CO 0.11 0.18 1.90 -0.35 -2.12 0.00 0.00 175.29 175.01 1s6o n PRO 49 N 1.22 1.15 0.15 2.91 -0.04 -1.26 -3.56 135.00 135.58 1s6o n PRO 49 Ca -0.21 -1.93 0.00 0.00 -0.04 0.00 0.00 63.50 61.32 1s6o n PRO 49 Cb 0.54 -3.27 0.00 0.00 -0.04 0.00 0.00 33.50 30.73 1s6o n PRO 49 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1s6o n HIS 50 N 11.69 -3.03 0.06 0.54 -0.00 -1.26 -4.92 115.22 118.31 1s6o n HIS 50 Ca 0.47 0.77 0.08 0.00 -0.00 0.00 0.00 57.72 59.04 1s6o n HIS 50 Cb 0.44 1.71 -0.05 0.00 -0.00 0.00 0.00 29.99 32.09 1s6o n HIS 50 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1s6o n LEU 51 N -3.31 0.69 -4.33 0.27 4.77 -1.23 -4.90 117.00 108.95 1s6o n LEU 51 Ca 0.00 0.28 -0.28 0.00 -0.03 0.00 0.00 56.01 55.98 1s6o n LEU 51 Cb 0.00 -0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 1s6o n LEU 51 CO 0.00 -0.06 -0.55 -0.51 -1.33 0.00 0.00 177.39 174.94 1s6o s ILE 52 N -3.26 2.03 -0.06 -0.08 1.10 -1.24 -4.75 121.20 114.94 1s6o s ILE 52 Ca -0.03 -1.48 0.00 0.00 -0.51 0.00 0.00 60.65 58.63 1s6o s ILE 52 Cb 0.10 -1.77 0.07 0.00 0.15 0.00 0.00 42.46 41.01 1s6o s ILE 52 CO 0.82 0.20 1.28 -1.20 -2.11 0.00 0.00 174.94 173.93 1s6o n SER 53 N 1.44 3.58 0.00 4.50 7.64 -1.26 -4.41 113.62 125.11 1s6o n SER 53 Ca -0.18 -2.27 0.00 0.00 1.01 0.00 0.00 58.87 57.44 1s6o n SER 53 Cb 0.53 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 1s6o n SER 53 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1s6o n VAL 54 N 0.48 0.00 0.03 0.44 3.14 -1.26 -4.06 118.33 117.10 1s6o n VAL 54 Ca 0.07 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.41 1s6o n VAL 54 Cb 0.62 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.30 1s6o n VAL 54 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 1s6o h GLU 55 N 0.00 0.00 -0.84 1.45 4.81 -1.91 -3.31 114.58 114.78 1s6o h GLU 55 Ca 0.00 0.00 0.21 0.00 -0.13 0.00 0.00 59.36 59.44 1s6o h GLU 55 Cb 0.00 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.25 1s6o h GLU 55 CO 0.00 0.55 0.22 0.93 -0.73 0.00 0.00 179.01 179.97 1s6o h GLU 56 N 0.00 0.22 -0.08 1.92 5.08 -1.93 0.89 114.58 120.68 1s6o h GLU 56 Ca -0.15 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1s6o h GLU 56 Cb 1.75 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.94 1s6o h GLU 56 CO 0.08 0.15 -0.05 -0.12 -1.00 0.00 0.00 179.01 178.07 1s6o n MET 57 N -5.21 -0.03 -0.22 2.33 1.56 -1.24 -0.15 117.12 114.16 1s6o n MET 57 Ca 0.19 1.03 -0.08 0.00 -0.27 0.00 0.00 57.70 58.58 1s6o n MET 57 Cb 0.61 -1.55 0.03 0.00 2.15 0.00 0.00 33.22 34.47 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 0.95 -0.02 2.12 1.63 -1.45 -2.49 116.57 117.30 1s6o h LYS 58 Ca 0.01 -0.20 0.01 0.00 -0.85 0.00 0.00 60.65 59.62 1s6o h LYS 58 Cb 0.03 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 31.52 1s6o h LYS 58 CO -0.07 0.83 0.02 0.87 -3.45 0.00 0.00 179.45 177.65 1s6o h LYS 59 N 0.87 0.00 -0.82 1.90 6.56 -0.23 0.24 116.57 125.09 1s6o h LYS 59 Ca 0.20 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.75 1s6o h LYS 59 Cb 0.28 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.90 1s6o h LYS 59 CO -0.01 0.00 0.35 -0.56 -2.06 0.00 0.00 179.45 177.17 1s6o h GLN 60 N 0.00 1.21 -0.03 3.15 3.07 -0.06 0.15 115.11 122.59 1s6o h GLN 60 Ca 0.01 -0.20 -0.01 0.00 0.09 0.00 0.00 58.65 58.54 1s6o h GLN 60 Cb 0.06 -0.20 -0.00 0.00 0.08 0.00 0.00 27.48 27.41 1s6o h GLN 60 CO -0.00 0.96 -0.02 0.82 0.09 0.00 0.00 178.83 180.68 1s6o h ILE 61 N 1.18 1.35 -0.57 1.86 5.03 -0.66 -2.14 117.51 123.57 1s6o h ILE 61 Ca 0.28 -1.07 0.09 0.00 -0.12 0.00 0.00 64.86 64.03 1s6o h ILE 61 Cb 0.18 2.02 -0.07 0.00 -3.03 0.00 0.00 36.82 35.92 1s6o h ILE 61 CO -0.03 0.28 0.20 -0.33 -0.68 0.00 0.00 178.15 177.60 1s6o h GLU 62 N -0.37 0.37 0.00 2.37 5.08 -1.05 -0.54 114.58 120.44 1s6o h GLU 62 Ca 0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1s6o h GLU 62 Cb 0.47 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1s6o h GLU 62 CO 0.00 0.24 0.00 0.00 -1.00 0.00 0.00 179.01 178.26 1s6o h ALA 63 N 1.39 1.00 -0.02 3.43 0.00 -0.63 0.78 119.26 125.22 1s6o h ALA 63 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1s6o h ALA 63 Cb 0.34 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1s6o h ALA 63 CO -0.29 0.00 0.01 0.52 0.00 0.00 0.00 179.25 179.49 1s6o h MET 64 N 0.00 0.00 0.00 0.00 2.86 -0.40 -3.46 114.93 113.93 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 0.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.81 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 -1.48 1.21 3.68 8.32 0.00 0.26 -5.10 105.19 112.08 1s6o n GLY 65 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.84 3.09 -0.25 1.61 0.08 -1.23 -4.95 117.98 115.49 1s6o s PHE 66 Ca 0.00 1.15 -0.28 0.00 0.12 0.00 0.00 56.93 57.92 1s6o s PHE 66 Cb 0.00 -3.45 -0.04 0.00 -0.57 0.00 0.00 43.02 38.97 1s6o s PHE 66 CO 0.00 -1.43 1.94 -1.25 -0.10 0.00 0.00 175.22 174.38 1s6o s PRO 67 N 2.60 3.38 0.23 0.24 0.04 -1.26 -4.20 135.00 136.03 1s6o s PRO 67 Ca 0.55 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1s6o s PRO 67 Cb -0.24 -4.24 -0.00 0.00 0.04 0.00 0.00 34.50 30.06 1s6o s PRO 67 CO 0.20 -1.81 0.01 0.00 0.04 0.00 0.00 177.00 175.43 1s6o n ALA 68 N 10.36 0.21 -3.60 8.56 0.00 -1.26 -3.89 120.51 130.88 1s6o n ALA 68 Ca 0.25 -1.05 -0.09 0.00 0.00 0.00 0.00 53.44 52.54 1s6o n ALA 68 Cb 0.45 0.59 -0.06 0.00 0.00 0.00 0.00 19.45 20.43 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 -1.89 -0.37 -0.00 0.00 5.36 -1.17 -4.94 117.98 114.98 1s6o s PHE 69 Ca 0.01 0.74 -0.29 0.00 -0.96 0.00 0.00 56.93 56.43 1s6o s PHE 69 Cb 0.00 0.43 -0.03 0.00 -0.34 0.00 0.00 43.02 43.07 1s6o s PHE 69 CO 0.01 -0.27 0.94 0.08 -1.46 0.00 0.00 175.22 174.51 1s6o s VAL 70 N -0.61 4.87 -0.20 3.12 1.01 -1.26 -0.81 120.40 126.52 1s6o s VAL 70 Ca 0.01 1.97 -0.15 0.00 0.00 0.00 0.00 61.98 63.81 1s6o s VAL 70 Cb -0.02 -4.28 -0.09 0.00 0.00 0.00 0.00 36.38 31.99 1s6o s VAL 70 CO -0.02 0.19 -0.22 0.29 0.00 0.00 0.00 175.10 175.34 1s6o n LYS 71 N 3.79 0.53 -3.13 2.72 5.02 -1.14 -4.85 118.16 121.11 1s6o n LYS 71 Ca 0.05 0.36 -0.18 0.00 -2.02 0.00 0.00 58.31 56.52 1s6o n LYS 71 Cb 0.51 -1.56 -0.05 0.00 -0.02 0.00 0.00 35.03 33.90 1s6o n LYS 71 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1s6o n LYS 72 N -4.44 0.39 -1.37 1.97 4.76 -0.01 -5.02 118.16 114.43 1s6o n LYS 72 Ca -0.25 -2.73 -0.25 0.00 -2.87 0.00 0.00 58.31 52.21 1s6o n LYS 72 Cb 0.57 -1.54 -0.09 0.00 -1.84 0.00 0.00 35.03 32.13 1s6o n LYS 72 CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 1s6o n ILE 73 N 2.64 3.59 -3.77 -0.18 3.06 -1.26 -2.68 119.36 120.76 1s6o n ILE 73 Ca 0.24 -2.62 -0.07 0.00 -2.50 0.00 0.00 62.75 57.80 1s6o n ILE 73 Cb 0.52 -1.91 -0.02 0.00 0.54 0.00 0.00 39.64 38.77 1s6o n ILE 73 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 1s6o s GLU 74 N -0.27 1.55 0.00 9.51 0.41 -1.26 -4.93 118.70 123.71 1s6o s GLU 74 Ca 0.62 -0.83 0.00 0.00 -0.41 0.00 0.00 54.97 54.36 1s6o s GLU 74 Cb 0.31 0.55 0.00 0.00 -1.78 0.00 0.00 34.13 33.21 1s6o s GLU 74 CO -0.11 -0.71 0.00 0.41 -0.49 0.00 0.00 175.26 174.36 1s6o n GLY 75 N -0.45 0.81 0.00 -1.39 0.00 -1.25 -4.55 105.19 98.36 1s6o n GLY 75 Ca -0.06 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1s6o n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19