#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 0.62 -4.02 1.61 4.71 -1.26 -4.77 120.64 117.54 1s6o n GLU 2 Ca 0.00 0.24 -0.10 0.00 -0.01 0.00 0.00 57.16 57.29 1s6o n GLU 2 Cb 0.00 -1.85 -0.11 0.00 -1.01 0.00 0.00 31.44 28.47 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 -1.65 0.25 -0.01 2.62 1.01 0.48 -4.87 120.40 118.23 1s6o s VAL 3 Ca 0.71 -1.06 -0.28 0.00 0.00 0.00 0.00 61.98 61.35 1s6o s VAL 3 Cb -0.44 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 1s6o s VAL 3 CO 0.52 -0.52 0.89 0.54 0.00 0.00 0.00 175.10 176.53 1s6o s VAL 4 N -1.70 4.90 0.14 2.92 0.11 -1.26 -1.86 120.40 123.64 1s6o s VAL 4 Ca -0.12 1.87 0.09 0.00 -2.93 0.00 0.00 61.98 60.89 1s6o s VAL 4 Cb -0.08 -4.23 -0.04 0.00 -1.53 0.00 0.00 36.38 30.50 1s6o s VAL 4 CO -0.01 0.20 -0.21 -1.48 -3.33 0.00 0.00 175.10 170.27 1s6o s LEU 5 N 0.87 2.37 -0.04 2.54 -0.00 0.28 -4.57 118.68 120.12 1s6o s LEU 5 Ca 0.47 -0.78 0.07 0.00 -0.00 0.00 0.00 54.13 53.89 1s6o s LEU 5 Cb -0.20 -0.93 -0.01 0.00 -0.00 0.00 0.00 46.19 45.04 1s6o s LEU 5 CO 0.25 0.04 -0.25 -0.54 -0.00 0.00 0.00 176.35 175.86 1s6o s LYS 6 N -2.32 2.34 0.02 1.48 1.02 -1.26 -1.08 119.74 119.94 1s6o s LYS 6 Ca 0.12 -0.89 0.06 0.00 0.02 0.00 0.00 55.97 55.29 1s6o s LYS 6 Cb -0.08 -2.06 -0.02 0.00 -0.52 0.00 0.00 37.83 35.14 1s6o s LYS 6 CO 0.06 0.42 -0.18 0.00 -0.92 0.00 0.00 175.35 174.73 1s6o s MET 7 N -0.29 1.32 -0.01 1.68 0.23 -0.05 -0.76 119.30 121.42 1s6o s MET 7 Ca 0.01 -0.78 -0.26 0.00 -1.03 0.00 0.00 55.69 53.63 1s6o s MET 7 Cb -0.12 -1.35 -0.04 0.00 -1.53 0.00 0.00 34.83 31.79 1s6o s MET 7 CO 0.02 0.35 0.79 0.15 -2.03 0.00 0.00 175.02 174.31 1s6o s LYS 8 N -0.87 4.49 -0.64 3.16 -0.14 0.36 -1.08 119.74 125.02 1s6o s LYS 8 Ca 0.06 1.08 0.04 0.00 -1.36 0.00 0.00 55.97 55.79 1s6o s LYS 8 Cb -0.08 -3.42 0.16 0.00 -1.68 0.00 0.00 37.83 32.80 1s6o s LYS 8 CO 0.01 0.10 0.42 0.08 -0.76 0.00 0.00 175.35 175.19 1s6o s VAL 9 N 0.59 2.90 0.78 3.17 1.01 -1.11 -0.18 120.40 127.56 1s6o s VAL 9 Ca 0.42 -3.83 -0.11 0.00 0.00 0.00 0.00 61.98 58.46 1s6o s VAL 9 Cb -0.19 -2.93 0.06 0.00 0.00 0.00 0.00 36.38 33.31 1s6o s VAL 9 CO 0.22 -0.92 1.08 -1.61 0.00 0.00 0.00 175.10 173.87 1s6o s GLU 10 N -0.93 2.22 0.00 2.72 0.41 -0.77 -4.09 118.70 118.26 1s6o s GLU 10 Ca 0.22 0.98 0.00 0.00 -0.41 0.00 0.00 54.97 55.75 1s6o s GLU 10 Cb -0.14 -1.91 0.00 0.00 -1.78 0.00 0.00 34.13 30.30 1s6o s GLU 10 CO -0.09 -1.61 0.00 0.41 -0.49 0.00 0.00 175.26 173.48 1s6o n GLY 11 N -1.52 0.99 3.55 -1.39 0.00 -1.26 -4.16 105.19 101.40 1s6o n GLY 11 Ca 0.08 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.65 1s6o n GLY 11 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1s6o n MET 12 N 0.00 1.64 -4.39 1.61 0.00 -1.26 -4.95 117.12 109.78 1s6o n MET 12 Ca 0.00 0.44 -0.27 0.00 0.00 0.00 0.00 57.70 57.87 1s6o n MET 12 Cb 0.00 -2.99 -0.12 0.00 0.00 0.00 0.00 33.22 30.12 1s6o n MET 12 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 1s6o s THR 13 N 8.10 2.47 0.37 1.12 -1.32 -1.26 -5.04 115.64 120.08 1s6o s THR 13 Ca 1.04 -1.90 0.00 0.00 -1.21 0.00 0.00 61.69 59.62 1s6o s THR 13 Cb -0.51 -2.17 0.00 0.00 -1.51 0.00 0.00 72.50 68.32 1s6o s THR 13 CO 0.40 -0.06 0.00 0.00 -2.21 0.00 0.00 174.62 172.74 1s6o n HIS 15 N -2.37 1.59 0.01 0.00 1.44 -1.26 -3.82 115.22 110.82 1s6o n HIS 15 Ca -0.01 -2.36 0.00 0.00 -2.01 0.00 0.00 57.72 53.34 1s6o n HIS 15 Cb 0.32 -2.01 0.00 0.00 0.12 0.00 0.00 29.99 28.42 1s6o n HIS 15 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1s6o n SER 16 N 3.59 0.02 -4.30 4.39 2.88 -1.26 -4.84 113.62 114.09 1s6o n SER 16 Ca 0.59 0.03 -0.33 0.00 -1.33 0.00 0.00 58.87 57.83 1s6o n SER 16 Cb 0.30 0.01 -0.06 0.00 -0.75 0.00 0.00 64.21 63.72 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 7.22 0.00 -0.31 0.00 -2.24 -1.26 -4.86 114.28 112.83 1s6o n THR 18 Ca 0.46 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 62.31 1s6o n THR 18 Cb 0.45 0.00 0.22 0.00 -2.10 0.00 0.00 70.33 68.90 1s6o n THR 18 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1s6o h SER 19 N 0.00 0.64 -0.30 3.42 0.87 -1.93 0.52 113.55 116.77 1s6o h SER 19 Ca 0.00 0.08 0.06 0.00 -1.23 0.00 0.00 61.79 60.70 1s6o h SER 19 Cb 0.00 -0.04 -0.08 0.00 -0.44 0.00 0.00 62.40 61.84 1s6o h SER 19 CO 0.00 0.30 -0.42 0.74 -0.53 0.00 0.00 176.83 176.93 1s6o h THR 20 N 0.73 0.14 -0.20 2.23 2.02 -1.94 0.14 112.91 116.02 1s6o h THR 20 Ca 0.46 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.67 1s6o h THR 20 Cb 0.58 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 1s6o h THR 20 CO -0.32 0.00 0.03 0.40 0.37 0.00 0.00 175.52 175.99 1s6o h ILE 21 N -0.38 0.89 0.11 3.11 5.03 -0.48 0.46 117.51 126.25 1s6o h ILE 21 Ca 0.12 -0.03 -0.00 0.00 -0.12 0.00 0.00 64.86 64.82 1s6o h ILE 21 Cb 0.59 0.78 -0.01 0.00 -3.03 0.00 0.00 36.82 35.15 1s6o h ILE 21 CO -0.51 0.02 -0.17 -0.33 -0.68 0.00 0.00 178.15 176.48 1s6o h GLU 22 N 0.10 -0.29 -0.56 2.37 5.08 0.05 0.18 114.58 121.50 1s6o h GLU 22 Ca 0.09 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.57 1s6o h GLU 22 Cb 0.10 0.07 -0.11 0.00 0.50 0.00 0.00 28.75 29.30 1s6o h GLU 22 CO -0.13 -0.19 -0.32 0.78 -1.00 0.00 0.00 179.01 178.14 1s6o h GLY 23 N -0.30 -0.10 0.76 -3.84 0.00 -0.77 0.20 103.07 99.01 1s6o h GLY 23 Ca -0.01 0.42 0.02 0.00 0.00 0.00 0.00 47.33 47.75 1s6o h GLY 23 CO -0.05 -0.21 -0.08 1.70 0.00 0.00 0.00 176.54 177.90 1s6o h LYS 24 N -0.17 -0.12 0.00 4.80 3.64 -0.71 -2.02 116.57 121.99 1s6o h LYS 24 Ca 0.23 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.59 1s6o h LYS 24 Cb 0.54 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1s6o h LYS 24 CO -0.66 -0.08 -0.13 0.82 -2.27 0.00 0.00 179.45 177.14 1s6o h ILE 25 N -0.12 0.95 0.00 2.00 1.08 0.03 -0.06 117.51 121.40 1s6o h ILE 25 Ca 0.04 -0.46 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 1s6o h ILE 25 Cb 0.18 1.26 0.00 0.00 -3.07 0.00 0.00 36.82 35.19 1s6o h ILE 25 CO -0.11 0.13 0.23 1.23 -0.69 0.00 0.00 178.15 178.94 1s6o h GLY 26 N 0.47 0.00 1.26 5.37 0.00 0.15 0.12 103.07 110.43 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 -0.67 0.50 0.00 0.00 0.00 176.54 176.39 1s6o h LYS 27 N 0.00 0.00 -6.79 4.80 1.79 -1.02 -3.48 116.57 111.87 1s6o h LYS 27 Ca 0.00 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 1s6o h LYS 27 Cb 0.46 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 31.18 1s6o h LYS 27 CO 0.00 0.00 0.77 -0.51 -1.08 0.00 0.00 179.45 178.63 1s6o s LEU 28 N -5.07 4.38 -0.08 2.94 2.01 0.42 -4.89 118.68 118.39 1s6o s LEU 28 Ca 0.03 2.75 -0.30 0.00 0.01 0.00 0.00 54.13 56.63 1s6o s LEU 28 Cb 0.10 -3.63 -0.05 0.00 0.01 0.00 0.00 46.19 42.62 1s6o s LEU 28 CO 0.74 -0.73 1.59 -1.58 1.01 0.00 0.00 176.35 177.37 1s6o s GLN 29 N -0.69 4.17 0.00 1.70 2.00 -1.26 -2.17 119.66 123.40 1s6o s GLN 29 Ca 0.58 2.07 0.00 0.00 -2.00 0.00 0.00 55.36 56.01 1s6o s GLN 29 Cb -0.43 -3.95 0.00 0.00 0.80 0.00 0.00 33.01 29.43 1s6o s GLN 29 CO 0.47 -0.85 0.00 0.41 -0.50 0.00 0.00 175.29 174.82 1s6o n GLY 30 N 4.08 2.74 3.74 2.59 0.00 -1.26 -3.60 105.19 113.47 1s6o n GLY 30 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.41 4.19 -0.26 1.61 1.01 -0.92 -3.42 120.40 120.20 1s6o s VAL 31 Ca 0.00 1.95 -0.10 0.00 0.00 0.00 0.00 61.98 63.83 1s6o s VAL 31 Cb 0.00 -4.25 -0.12 0.00 0.00 0.00 0.00 36.38 32.01 1s6o s VAL 31 CO 0.00 0.36 -0.32 0.00 0.00 0.00 0.00 175.10 175.15 1s6o n GLN 32 N 2.25 0.57 -3.69 2.72 1.13 0.33 -4.94 117.38 115.76 1s6o n GLN 32 Ca 0.01 0.22 -0.10 0.00 -1.94 0.00 0.00 57.00 55.19 1s6o n GLN 32 Cb 0.48 -1.45 -0.05 0.00 0.11 0.00 0.00 30.24 29.33 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 -2.49 1.10 0.01 -1.09 6.06 -1.21 -5.01 118.95 116.33 1s6o s ARG 33 Ca -0.36 -0.78 0.01 0.00 -2.50 0.00 0.00 55.73 52.09 1s6o s ARG 33 Cb 0.13 0.46 -0.01 0.00 0.06 0.00 0.00 34.95 35.59 1s6o s ARG 33 CO 0.49 -0.43 -0.03 -1.50 -2.50 0.00 0.00 175.30 171.33 1s6o s ILE 34 N -3.83 0.21 -0.21 4.11 2.07 -1.26 -1.33 121.20 120.96 1s6o s ILE 34 Ca 0.05 -0.53 -0.04 0.00 -1.41 0.00 0.00 60.65 58.72 1s6o s ILE 34 Cb 0.02 -0.26 0.07 0.00 0.13 0.00 0.00 42.46 42.42 1s6o s ILE 34 CO -0.10 -0.21 0.09 -0.54 -1.91 0.00 0.00 174.94 172.28 1s6o s LYS 35 N -0.78 0.22 -0.55 3.50 3.01 0.63 -4.99 119.74 120.78 1s6o s LYS 35 Ca -0.07 -0.30 -0.14 0.00 -1.01 0.00 0.00 55.97 54.45 1s6o s LYS 35 Cb -0.05 -1.71 0.14 0.00 -1.01 0.00 0.00 37.83 35.19 1s6o s LYS 35 CO -0.00 -0.77 0.48 0.08 0.51 0.00 0.00 175.35 175.65 1s6o s VAL 36 N 2.06 4.95 -1.16 3.17 1.01 -1.26 -0.37 120.40 128.80 1s6o s VAL 36 Ca 0.04 -1.69 -0.15 0.00 0.00 0.00 0.00 61.98 60.17 1s6o s VAL 36 Cb -0.16 -4.18 0.15 0.00 0.00 0.00 0.00 36.38 32.18 1s6o s VAL 36 CO -0.17 -0.86 1.41 -0.44 0.00 0.00 0.00 175.10 175.05 1s6o s SER 37 N 3.18 6.95 0.26 3.32 0.01 -1.03 -4.87 113.70 121.52 1s6o s SER 37 Ca 0.05 -2.73 -0.01 0.00 1.31 0.00 0.00 55.95 54.58 1s6o s SER 37 Cb -0.27 -2.43 0.57 0.00 0.21 0.00 0.00 66.02 64.10 1s6o s SER 37 CO 0.01 -0.87 1.72 0.25 0.41 0.00 0.00 173.24 174.75 1s6o h LEU 38 N 10.24 0.29 -0.98 2.44 7.12 -1.96 0.25 115.31 132.71 1s6o h LEU 38 Ca 0.30 0.13 0.17 0.00 0.13 0.00 0.00 57.88 58.61 1s6o h LEU 38 Cb 0.90 0.11 -0.17 0.00 -0.53 0.00 0.00 40.66 40.97 1s6o h LEU 38 CO 1.25 0.06 -0.33 0.47 -0.13 0.00 0.00 178.44 179.76 1s6o n ASP 39 N -5.02 -0.52 -0.00 1.25 9.92 -1.26 -0.46 116.55 120.45 1s6o n ASP 39 Ca 0.18 1.70 0.14 0.00 -0.53 0.00 0.00 54.79 56.27 1s6o n ASP 39 Cb 0.51 -0.44 0.53 0.00 -0.64 0.00 0.00 41.12 41.08 1s6o n ASP 39 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1s6o n ASN 40 N -5.51 0.15 -1.31 -2.24 5.15 0.81 -4.90 115.26 107.40 1s6o n ASN 40 Ca 0.12 0.24 -0.17 0.00 -0.60 0.00 0.00 54.58 54.18 1s6o n ASN 40 Cb 0.43 -0.29 -0.07 0.00 -0.53 0.00 0.00 39.78 39.33 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 -1.47 -1.17 -3.83 1.20 6.02 0.40 -4.95 117.38 113.58 1s6o n GLN 41 Ca 0.07 1.08 -0.12 0.00 -0.01 0.00 0.00 57.00 58.02 1s6o n GLN 41 Cb 0.33 -5.30 -0.12 0.00 1.02 0.00 0.00 30.24 26.17 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 -3.48 0.23 0.13 -1.09 2.12 -1.20 -2.73 118.70 112.66 1s6o s GLU 42 Ca 0.00 0.10 0.09 0.00 0.36 0.00 0.00 54.97 55.52 1s6o s GLU 42 Cb 0.00 0.10 -0.04 0.00 0.26 0.00 0.00 34.13 34.46 1s6o s GLU 42 CO 0.00 -0.04 -0.20 0.00 -0.54 0.00 0.00 175.26 174.48 1s6o s ALA 43 N -0.17 1.92 -0.15 6.30 0.00 -0.24 -2.47 121.76 126.94 1s6o s ALA 43 Ca -0.03 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.59 1s6o s ALA 43 Cb -0.02 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.89 1s6o s ALA 43 CO 0.00 0.33 -0.14 0.99 0.00 0.00 0.00 175.76 176.95 1s6o s THR 44 N -1.45 1.57 0.24 0.00 2.01 0.51 -0.87 115.64 117.65 1s6o s THR 44 Ca 0.10 -0.66 0.08 0.00 0.31 0.00 0.00 61.69 61.53 1s6o s THR 44 Cb -0.09 -1.49 -0.05 0.00 0.01 0.00 0.00 72.50 70.88 1s6o s THR 44 CO 0.05 0.44 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.65 1s6o s ILE 45 N 1.48 1.86 -0.10 1.82 1.01 -0.24 -0.27 121.20 126.77 1s6o s ILE 45 Ca 0.05 -2.23 0.01 0.00 0.00 0.00 0.00 60.65 58.47 1s6o s ILE 45 Cb -0.13 -2.19 0.02 0.00 0.01 0.00 0.00 42.46 40.17 1s6o s ILE 45 CO -0.11 -0.49 -0.10 0.54 0.00 0.00 0.00 174.94 174.79 1s6o s VAL 46 N -2.89 1.09 0.30 2.92 0.11 -0.44 -0.56 120.40 120.93 1s6o s VAL 46 Ca 0.26 -0.38 -0.15 0.00 -2.93 0.00 0.00 61.98 58.78 1s6o s VAL 46 Cb -0.00 -1.06 0.02 0.00 -1.53 0.00 0.00 36.38 33.81 1s6o s VAL 46 CO 0.10 0.37 0.64 -0.72 -3.33 0.00 0.00 175.10 172.15 1s6o s TYR 47 N 1.29 0.19 0.07 1.54 -0.85 -0.78 -0.51 117.35 118.30 1s6o s TYR 47 Ca -0.03 -0.65 0.08 0.00 -0.52 0.00 0.00 57.07 55.95 1s6o s TYR 47 Cb -0.14 0.50 -0.03 0.00 0.38 0.00 0.00 41.96 42.67 1s6o s TYR 47 CO -0.04 -1.24 -0.22 -1.14 -1.52 0.00 0.00 175.55 171.39 1s6o s GLN 48 N -3.45 1.38 -1.07 -3.49 0.74 -1.22 -0.39 119.66 112.15 1s6o s GLN 48 Ca 0.18 -1.08 -0.21 0.00 0.05 0.00 0.00 55.36 54.29 1s6o s GLN 48 Cb -0.04 -1.59 -0.09 0.00 1.10 0.00 0.00 33.01 32.40 1s6o s GLN 48 CO 0.10 0.39 1.92 -0.35 -0.55 0.00 0.00 175.29 176.81 1s6o n PRO 49 N 1.51 1.81 0.10 1.67 -0.04 -1.26 -3.50 135.00 135.29 1s6o n PRO 49 Ca -0.18 -2.35 0.00 0.00 -0.04 0.00 0.00 63.50 60.93 1s6o n PRO 49 Cb 0.53 -3.40 0.00 0.00 -0.04 0.00 0.00 33.50 30.59 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 10.90 -2.65 0.08 0.54 -0.00 -1.26 -4.92 115.22 117.91 1s6o n HIS 50 Ca 0.47 0.56 0.07 0.00 -0.00 0.00 0.00 57.72 58.82 1s6o n HIS 50 Cb 0.44 1.56 -0.03 0.00 -0.00 0.00 0.00 29.99 31.96 1s6o n HIS 50 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 1s6o h LEU 51 N 0.00 0.00 -8.83 0.27 3.38 -1.83 -3.46 115.31 104.84 1s6o h LEU 51 Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 1s6o h LEU 51 Cb 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.53 1s6o h LEU 51 CO 0.00 0.25 -0.86 -0.51 0.09 0.00 0.00 178.44 177.41 1s6o s ILE 52 N -3.17 2.09 -0.11 1.22 1.10 -1.24 -4.62 121.20 116.47 1s6o s ILE 52 Ca -0.01 -1.66 0.01 0.00 -0.51 0.00 0.00 60.65 58.48 1s6o s ILE 52 Cb 0.09 -1.86 0.16 0.00 0.15 0.00 0.00 42.46 41.01 1s6o s ILE 52 CO 0.79 0.07 1.26 -1.20 -2.11 0.00 0.00 174.94 173.76 1s6o n SER 53 N 1.04 3.31 0.00 4.50 7.64 -1.26 -4.53 113.62 124.32 1s6o n SER 53 Ca -0.18 -2.41 0.00 0.00 1.01 0.00 0.00 58.87 57.28 1s6o n SER 53 Cb 0.53 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 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 0.13 0.00 0.03 0.44 0.31 -1.26 -3.77 118.33 114.20 1s6o n VAL 54 Ca 0.15 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.38 1s6o n VAL 54 Cb 0.78 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.58 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 0.04 -0.77 5.55 4.81 -2.02 -3.35 114.58 118.85 1s6o h GLU 55 Ca 0.00 -0.08 0.14 0.00 -0.13 0.00 0.00 59.36 59.30 1s6o h GLU 55 Cb 0.00 0.03 -0.14 0.00 0.63 0.00 0.00 28.75 29.27 1s6o h GLU 55 CO 0.00 0.82 -0.27 0.93 -0.73 0.00 0.00 179.01 179.76 1s6o h GLU 56 N 0.01 -0.05 -0.88 1.92 5.08 -1.94 -0.14 114.58 118.59 1s6o h GLU 56 Ca -0.16 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1s6o h GLU 56 Cb 1.91 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 31.07 1s6o h GLU 56 CO 0.11 -0.03 -0.52 -0.12 -1.00 0.00 0.00 179.01 177.45 1s6o n MET 57 N -5.49 -0.39 -0.12 2.33 1.56 -1.26 -0.45 117.12 113.31 1s6o n MET 57 Ca 0.09 1.44 -0.10 0.00 -0.27 0.00 0.00 57.70 58.86 1s6o n MET 57 Cb 0.39 -2.12 -0.02 0.00 2.15 0.00 0.00 33.22 33.62 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 0.58 -0.72 2.12 3.11 -1.47 -2.89 116.57 117.30 1s6o h LYS 58 Ca 0.14 -0.15 0.15 0.00 -2.81 0.00 0.00 60.65 57.98 1s6o h LYS 58 Cb 0.36 -0.07 -0.05 0.00 -1.00 0.00 0.00 32.23 31.47 1s6o h LYS 58 CO -0.83 0.64 0.49 0.87 -2.81 0.00 0.00 179.45 177.81 1s6o h LYS 59 N 0.43 0.34 -0.27 1.90 1.79 0.80 -0.70 116.57 120.86 1s6o h LYS 59 Ca 0.11 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.57 1s6o h LYS 59 Cb 0.33 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 1s6o h LYS 59 CO 0.00 0.23 0.17 1.96 -1.08 0.00 0.00 179.45 180.73 1s6o h GLN 60 N 0.35 0.34 -0.27 3.15 1.08 -0.53 0.50 115.11 119.73 1s6o h GLN 60 Ca 0.35 -0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.57 1s6o h GLN 60 Cb 0.87 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 28.18 1s6o h GLN 60 CO -0.10 0.23 0.03 0.82 -0.95 0.00 0.00 178.83 178.85 1s6o h ILE 61 N 0.35 0.84 -0.44 2.54 5.03 -1.19 -1.92 117.51 122.71 1s6o h ILE 61 Ca 0.10 -0.04 0.08 0.00 -0.12 0.00 0.00 64.86 64.88 1s6o h ILE 61 Cb -0.03 0.71 -0.07 0.00 -3.03 0.00 0.00 36.82 34.40 1s6o h ILE 61 CO -0.03 0.02 0.05 -0.33 -0.68 0.00 0.00 178.15 177.18 1s6o h GLU 62 N 0.12 0.16 0.00 2.37 5.08 -0.57 -0.26 114.58 121.48 1s6o h GLU 62 Ca 0.13 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1s6o h GLU 62 Cb 0.15 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1s6o h GLU 62 CO -0.19 0.11 -0.00 0.00 -1.00 0.00 0.00 179.01 177.92 1s6o h ALA 63 N 1.37 1.00 0.00 3.43 0.00 -0.46 0.79 119.26 125.39 1s6o h ALA 63 Ca 0.22 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1s6o h ALA 63 Cb 0.30 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1s6o h ALA 63 CO -0.32 0.00 -0.12 0.52 0.00 0.00 0.00 179.25 179.33 1s6o h MET 64 N 0.00 0.00 0.00 0.00 2.86 -0.26 -3.47 114.93 114.06 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 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1s6o h MET 64 CO 0.00 0.12 0.00 0.41 1.06 0.00 0.00 176.91 178.50 1s6o n GLY 65 N -1.18 2.98 3.60 8.32 0.00 0.27 -5.10 105.19 114.08 1s6o n GLY 65 Ca -0.03 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.05 2.99 0.33 1.61 0.08 -1.23 -5.00 117.98 116.70 1s6o s PHE 66 Ca 0.00 0.78 -0.29 0.00 0.12 0.00 0.00 56.93 57.54 1s6o s PHE 66 Cb 0.00 -3.96 -0.11 0.00 -0.57 0.00 0.00 43.02 38.38 1s6o s PHE 66 CO 0.00 -1.00 1.55 -1.25 -0.10 0.00 0.00 175.22 174.42 1s6o s PRO 67 N 3.87 4.12 0.00 0.24 0.04 -1.26 -3.88 135.00 138.13 1s6o s PRO 67 Ca 0.43 2.57 0.00 0.00 0.04 0.00 0.00 61.00 64.04 1s6o s PRO 67 Cb -0.10 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.44 1s6o s PRO 67 CO 0.23 -0.59 0.00 0.00 0.04 0.00 0.00 177.00 176.69 1s6o n ALA 68 N 1.47 0.00 -3.59 8.56 0.00 -1.26 -1.84 120.51 123.84 1s6o n ALA 68 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.40 1s6o n ALA 68 Cb 0.38 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.78 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 0.36 -0.34 -0.14 0.00 2.19 0.75 -4.82 117.98 115.98 1s6o s PHE 69 Ca 0.00 0.62 -0.18 0.00 0.33 0.00 0.00 56.93 57.70 1s6o s PHE 69 Cb 0.00 0.44 -0.04 0.00 -1.31 0.00 0.00 43.02 42.12 1s6o s PHE 69 CO 0.00 -0.29 0.48 0.14 1.83 0.00 0.00 175.22 177.39 1s6o s VAL 70 N -0.90 5.17 -0.01 3.12 -7.23 -1.26 -0.49 120.40 118.80 1s6o s VAL 70 Ca 0.00 0.95 -0.01 0.00 -1.81 0.00 0.00 61.98 61.11 1s6o s VAL 70 Cb -0.01 -3.82 -0.00 0.00 0.56 0.00 0.00 36.38 33.10 1s6o s VAL 70 CO -0.01 0.29 -0.03 0.29 -0.31 0.00 0.00 175.10 175.34 1s6o n LYS 71 N 3.93 0.04 -2.42 4.82 5.02 -0.30 -4.87 118.16 124.39 1s6o n LYS 71 Ca -0.07 0.02 -0.24 0.00 -2.02 0.00 0.00 58.31 56.00 1s6o n LYS 71 Cb 0.51 -0.45 0.09 0.00 -0.02 0.00 0.00 35.03 35.17 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 -1.17 1.85 0.36 1.97 1.02 0.06 -4.93 119.74 118.89 1s6o s LYS 72 Ca -0.02 -0.74 -0.13 0.00 0.02 0.00 0.00 55.97 55.10 1s6o s LYS 72 Cb 0.00 -2.26 0.04 0.00 -0.52 0.00 0.00 37.83 35.09 1s6o s LYS 72 CO 0.03 -1.37 0.70 -1.50 -0.92 0.00 0.00 175.35 172.29 1s6o s ILE 73 N -3.19 0.00 1.04 2.17 2.07 -1.26 -4.15 121.20 117.88 1s6o s ILE 73 Ca 0.64 -1.16 -0.16 0.00 -1.41 0.00 0.00 60.65 58.56 1s6o s ILE 73 Cb -0.07 -2.74 0.22 0.00 0.13 0.00 0.00 42.46 39.99 1s6o s ILE 73 CO 0.44 0.00 1.21 -1.83 -1.91 0.00 0.00 174.94 172.85 1s6o s GLU 74 N -2.65 0.08 0.00 3.50 1.03 -1.26 -4.63 118.70 114.77 1s6o s GLU 74 Ca 0.19 -0.15 0.00 0.00 0.03 0.00 0.00 54.97 55.04 1s6o s GLU 74 Cb -0.04 -1.76 0.00 0.00 -0.80 0.00 0.00 34.13 31.53 1s6o s GLU 74 CO 0.13 -2.83 0.00 0.41 -1.33 0.00 0.00 175.26 171.64 1s6o n GLY 75 N -2.46 0.42 0.00 -3.83 0.00 -1.26 -5.10 105.19 92.96 1s6o n GLY 75 Ca 0.13 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1s6o n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86