#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 -3.10 -2.54 1.61 1.02 -1.23 -4.99 120.64 111.42 1s6o n GLU 2 Ca 0.00 0.86 -0.42 0.00 -0.02 0.00 0.00 57.16 57.57 1s6o n GLU 2 Cb 0.00 -5.80 -0.03 0.00 -0.02 0.00 0.00 31.44 25.59 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 -3.38 4.45 0.22 2.62 1.01 0.17 -4.77 120.40 120.72 1s6o s VAL 3 Ca 0.36 1.75 -0.30 0.00 0.00 0.00 0.00 61.98 63.79 1s6o s VAL 3 Cb -0.05 -4.12 -0.08 0.00 0.00 0.00 0.00 36.38 32.12 1s6o s VAL 3 CO 0.73 -0.02 0.96 -0.69 0.00 0.00 0.00 175.10 176.08 1s6o s VAL 4 N 2.32 4.08 -0.08 2.92 1.01 -1.26 -0.83 120.40 128.56 1s6o s VAL 4 Ca 0.53 2.01 0.03 0.00 0.00 0.00 0.00 61.98 64.55 1s6o s VAL 4 Cb -0.22 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 31.88 1s6o s VAL 4 CO 0.19 0.45 -0.18 -0.22 0.00 0.00 0.00 175.10 175.34 1s6o s LEU 5 N -0.98 1.88 -0.31 3.92 1.98 0.20 -3.59 118.68 121.77 1s6o s LEU 5 Ca 0.43 -0.43 -0.11 0.00 -2.89 0.00 0.00 54.13 51.13 1s6o s LEU 5 Cb -0.26 -1.11 -0.02 0.00 0.66 0.00 0.00 46.19 45.45 1s6o s LEU 5 CO 0.33 0.11 0.20 -0.75 -1.89 0.00 0.00 176.35 174.34 1s6o s LYS 6 N 0.44 3.58 -0.05 1.98 2.47 -1.23 -0.95 119.74 125.98 1s6o s LYS 6 Ca -0.15 -0.57 0.06 0.00 -1.56 0.00 0.00 55.97 53.75 1s6o s LYS 6 Cb -0.16 -3.70 -0.01 0.00 -1.46 0.00 0.00 37.83 32.50 1s6o s LYS 6 CO 0.06 -0.36 -0.24 0.00 0.16 0.00 0.00 175.35 174.97 1s6o s MET 7 N 1.70 2.52 0.57 4.03 0.23 -0.14 -1.46 119.30 126.75 1s6o s MET 7 Ca 0.06 -0.89 -0.17 0.00 -1.03 0.00 0.00 55.69 53.66 1s6o s MET 7 Cb -0.17 -2.17 -0.05 0.00 -1.53 0.00 0.00 34.83 30.91 1s6o s MET 7 CO 0.09 0.41 1.05 0.15 -2.03 0.00 0.00 175.02 174.69 1s6o s LYS 8 N -0.23 3.46 -0.47 3.16 -0.14 0.27 -0.44 119.74 125.35 1s6o s LYS 8 Ca -0.01 1.20 0.07 0.00 -1.36 0.00 0.00 55.97 55.86 1s6o s LYS 8 Cb -0.13 -2.05 0.23 0.00 -1.68 0.00 0.00 37.83 34.19 1s6o s LYS 8 CO 0.03 -0.70 0.53 0.28 -0.76 0.00 0.00 175.35 174.73 1s6o n VAL 9 N -1.82 0.02 -0.69 3.17 0.31 0.11 -3.26 118.33 116.17 1s6o n VAL 9 Ca 0.09 -4.21 -0.29 0.00 -0.01 0.00 0.00 64.34 59.91 1s6o n VAL 9 Cb 0.53 -1.94 0.22 0.00 -0.91 0.00 0.00 33.84 31.73 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 -1.22 -0.20 0.00 5.55 0.41 -1.26 -3.98 118.70 118.00 1s6o s GLU 10 Ca 0.35 0.96 0.00 0.00 -0.41 0.00 0.00 54.97 55.87 1s6o s GLU 10 Cb 0.12 -1.63 0.00 0.00 -1.78 0.00 0.00 34.13 30.84 1s6o s GLU 10 CO -0.11 -3.28 0.00 0.41 -0.49 0.00 0.00 175.26 171.79 1s6o n GLY 11 N 0.33 1.42 3.74 -1.39 0.00 -1.26 -4.71 105.19 103.32 1s6o n GLY 11 Ca 0.05 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 2.65 0.00 1.61 2.81 -1.26 -4.87 117.12 118.07 1s6o n MET 12 Ca 0.00 0.94 0.00 0.00 -1.81 0.00 0.00 57.70 56.83 1s6o n MET 12 Cb 0.00 -2.71 0.00 0.00 -0.71 0.00 0.00 33.22 29.80 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 1.90 0.00 -4.03 2.03 5.66 -1.26 -4.99 114.28 113.59 1s6o n THR 13 Ca 0.08 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.74 1s6o n THR 13 Cb 0.37 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.00 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 4.61 1.12 0.00 0.00 -0.00 -1.26 -4.51 115.22 115.19 1s6o n HIS 15 Ca -0.17 0.70 0.00 0.00 0.46 0.00 0.00 57.72 58.71 1s6o n HIS 15 Cb 0.47 -2.31 0.00 0.00 -0.12 0.00 0.00 29.99 28.03 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 7.97 0.00 -4.29 0.26 2.88 -1.26 -5.00 113.62 114.18 1s6o n SER 16 Ca 0.55 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.79 1s6o n SER 16 Cb -0.02 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.37 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 7.60 0.00 -0.32 0.00 -2.24 -1.26 -4.76 114.28 113.30 1s6o n THR 18 Ca 0.45 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 62.30 1s6o n THR 18 Cb 0.45 -0.07 0.22 0.00 -2.10 0.00 0.00 70.33 68.83 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 0.70 -0.17 3.42 0.87 -1.95 0.35 113.55 116.77 1s6o h SER 19 Ca 0.00 0.07 0.04 0.00 -1.23 0.00 0.00 61.79 60.67 1s6o h SER 19 Cb 0.00 -0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 61.83 1s6o h SER 19 CO 0.00 0.34 -0.44 0.74 -0.53 0.00 0.00 176.83 176.94 1s6o h THR 20 N 0.78 0.11 -0.14 2.23 2.02 -1.92 0.18 112.91 116.18 1s6o h THR 20 Ca 0.46 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.66 1s6o h THR 20 Cb 0.55 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1s6o h THR 20 CO -0.31 0.00 0.01 0.40 0.37 0.00 0.00 175.52 176.00 1s6o h ILE 21 N -0.49 0.93 0.46 3.11 5.03 -0.77 0.51 117.51 126.29 1s6o h ILE 21 Ca 0.08 -0.02 -0.02 0.00 -0.12 0.00 0.00 64.86 64.77 1s6o h ILE 21 Cb 0.63 0.85 -0.00 0.00 -3.03 0.00 0.00 36.82 35.27 1s6o h ILE 21 CO -0.43 0.01 -0.29 -0.33 -0.68 0.00 0.00 178.15 176.43 1s6o h GLU 22 N 0.07 -0.68 -0.56 2.37 5.08 -0.12 0.11 114.58 120.84 1s6o h GLU 22 Ca 0.06 0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.57 1s6o h GLU 22 Cb 0.06 0.15 -0.11 0.00 0.50 0.00 0.00 28.75 29.36 1s6o h GLU 22 CO -0.09 -0.45 -0.31 0.78 -1.00 0.00 0.00 179.01 177.93 1s6o h GLY 23 N -0.71 -0.07 0.58 -3.84 0.00 -0.69 0.23 103.07 98.58 1s6o h GLY 23 Ca -0.06 0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.66 1s6o h GLY 23 CO 0.06 -0.21 -0.43 1.70 0.00 0.00 0.00 176.54 177.65 1s6o h LYS 24 N -0.16 -0.86 -0.37 4.80 1.63 -0.71 -2.72 116.57 118.17 1s6o h LYS 24 Ca 0.23 0.06 0.02 0.00 -0.85 0.00 0.00 60.65 60.11 1s6o h LYS 24 Cb 0.54 0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 32.35 1s6o h LYS 24 CO -0.65 -0.57 0.25 0.82 -3.45 0.00 0.00 179.45 175.84 1s6o h ILE 25 N -0.89 1.05 -0.09 2.00 1.08 -0.40 -0.83 117.51 119.42 1s6o h ILE 25 Ca -0.05 -0.15 0.03 0.00 -0.39 0.00 0.00 64.86 64.31 1s6o h ILE 25 Cb 0.78 0.58 -0.00 0.00 -3.07 0.00 0.00 36.82 35.11 1s6o h ILE 25 CO -0.06 0.08 0.35 1.23 -0.69 0.00 0.00 178.15 179.06 1s6o h GLY 26 N 0.43 0.00 1.49 5.37 0.00 -0.21 0.12 103.07 110.26 1s6o h GLY 26 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1s6o h GLY 26 CO -0.03 0.00 -0.50 0.50 0.00 0.00 0.00 176.54 176.50 1s6o h LYS 27 N 0.00 0.00 -6.75 4.80 1.79 -1.17 -3.48 116.57 111.76 1s6o h LYS 27 Ca 0.04 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 58.00 1s6o h LYS 27 Cb 0.74 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.42 1s6o h LYS 27 CO -0.00 0.00 0.59 -0.51 -1.08 0.00 0.00 179.45 178.45 1s6o s LEU 28 N -5.70 4.46 -0.26 2.94 2.01 0.40 -4.90 118.68 117.63 1s6o s LEU 28 Ca 0.03 2.41 -0.34 0.00 0.01 0.00 0.00 54.13 56.24 1s6o s LEU 28 Cb 0.08 -3.62 -0.11 0.00 0.01 0.00 0.00 46.19 42.54 1s6o s LEU 28 CO 0.73 -0.41 2.08 0.00 1.01 0.00 0.00 176.35 179.76 1s6o n GLN 29 N 1.83 1.47 0.00 1.70 10.64 -1.26 -1.84 117.38 129.92 1s6o n GLN 29 Ca 0.03 0.46 0.00 0.00 -1.83 0.00 0.00 57.00 55.65 1s6o n GLN 29 Cb 0.43 -2.58 0.00 0.00 -0.86 0.00 0.00 30.24 27.23 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 5.70 1.43 3.71 2.61 0.00 -1.26 -4.08 105.19 113.30 1s6o n GLY 30 Ca 0.34 0.00 -0.42 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 -1.65 4.72 -0.18 1.61 1.01 -0.77 -3.39 120.40 121.75 1s6o s VAL 31 Ca 0.00 2.02 -0.15 0.00 0.00 0.00 0.00 61.98 63.85 1s6o s VAL 31 Cb 0.00 -4.29 -0.10 0.00 0.00 0.00 0.00 36.38 31.99 1s6o s VAL 31 CO 0.00 0.20 -0.06 0.00 0.00 0.00 0.00 175.10 175.23 1s6o n GLN 32 N 3.62 0.51 -3.91 2.72 1.13 0.50 -4.87 117.38 117.08 1s6o n GLN 32 Ca 0.05 0.50 -0.09 0.00 -1.94 0.00 0.00 57.00 55.53 1s6o n GLN 32 Cb 0.50 -1.68 -0.08 0.00 0.11 0.00 0.00 30.24 29.09 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 -2.36 0.76 0.00 -1.09 6.06 -1.10 -4.99 118.95 116.23 1s6o s ARG 33 Ca -0.23 -0.96 -0.00 0.00 -2.50 0.00 0.00 55.73 52.04 1s6o s ARG 33 Cb 0.04 0.30 -0.00 0.00 0.06 0.00 0.00 34.95 35.36 1s6o s ARG 33 CO 0.39 -0.22 0.00 -1.50 -2.50 0.00 0.00 175.30 171.47 1s6o s ILE 34 N -3.65 0.01 -0.08 4.11 2.07 -1.26 -0.57 121.20 121.83 1s6o s ILE 34 Ca 0.04 -0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.21 1s6o s ILE 34 Cb 0.04 -0.03 0.02 0.00 0.13 0.00 0.00 42.46 42.62 1s6o s ILE 34 CO -0.10 -0.04 -0.07 -0.54 -1.91 0.00 0.00 174.94 172.28 1s6o s LYS 35 N -0.11 1.32 -0.69 3.50 3.01 0.21 -5.00 119.74 121.98 1s6o s LYS 35 Ca -0.01 -0.22 -0.05 0.00 -1.01 0.00 0.00 55.97 54.68 1s6o s LYS 35 Cb -0.01 -1.31 0.18 0.00 -1.01 0.00 0.00 37.83 35.68 1s6o s LYS 35 CO -0.00 -0.16 0.53 0.08 0.51 0.00 0.00 175.35 176.31 1s6o s VAL 36 N 1.31 4.11 -1.26 3.17 1.01 -1.26 -0.42 120.40 127.05 1s6o s VAL 36 Ca -0.03 -2.96 -0.19 0.00 0.00 0.00 0.00 61.98 58.80 1s6o s VAL 36 Cb -0.14 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.62 1s6o s VAL 36 CO -0.03 -0.92 1.86 -1.20 0.00 0.00 0.00 175.10 174.81 1s6o n SER 37 N 3.46 4.19 -0.32 3.32 7.64 -0.93 -4.81 113.62 126.17 1s6o n SER 37 Ca 0.10 -2.84 0.19 0.00 1.01 0.00 0.00 58.87 57.33 1s6o n SER 37 Cb 0.39 -1.70 0.39 0.00 -1.01 0.00 0.00 64.21 62.29 1s6o n SER 37 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1s6o h LEU 38 N 13.59 0.37 -0.88 -3.43 7.12 -1.96 0.29 115.31 130.42 1s6o h LEU 38 Ca 0.41 0.18 0.13 0.00 0.13 0.00 0.00 57.88 58.73 1s6o h LEU 38 Cb 0.84 0.16 -0.14 0.00 -0.53 0.00 0.00 40.66 41.00 1s6o h LEU 38 CO 1.49 -0.10 -0.35 0.47 -0.13 0.00 0.00 178.44 179.82 1s6o n ASP 39 N -5.08 -0.59 0.01 1.25 9.92 -1.26 -0.45 116.55 120.35 1s6o n ASP 39 Ca 0.27 1.53 0.13 0.00 -0.53 0.00 0.00 54.79 56.19 1s6o n ASP 39 Cb 0.83 -0.35 0.42 0.00 -0.64 0.00 0.00 41.12 41.38 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 -5.29 0.30 -1.53 -2.24 2.85 0.98 -4.90 115.26 105.44 1s6o n ASN 40 Ca 0.09 0.15 -0.19 0.00 -0.11 0.00 0.00 54.58 54.52 1s6o n ASN 40 Cb 0.35 -0.14 -0.07 0.00 1.24 0.00 0.00 39.78 41.15 1s6o n ASN 40 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1s6o n GLN 41 N -1.58 -1.34 -4.07 1.20 6.02 0.40 -4.95 117.38 113.06 1s6o n GLN 41 Ca 0.06 1.14 -0.14 0.00 -0.01 0.00 0.00 57.00 58.06 1s6o n GLN 41 Cb 0.35 -5.47 -0.13 0.00 1.02 0.00 0.00 30.24 26.00 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 -3.74 0.39 0.09 -1.09 2.12 -1.21 -0.71 118.70 114.55 1s6o s GLU 42 Ca 0.00 -0.39 0.08 0.00 0.36 0.00 0.00 54.97 55.02 1s6o s GLU 42 Cb 0.00 -0.27 -0.03 0.00 0.26 0.00 0.00 34.13 34.08 1s6o s GLU 42 CO 0.00 0.06 -0.20 0.00 -0.54 0.00 0.00 175.26 174.58 1s6o s ALA 43 N -0.64 1.75 -0.21 6.30 0.00 0.42 -2.19 121.76 127.18 1s6o s ALA 43 Ca -0.04 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 50.73 1s6o s ALA 43 Cb -0.05 -0.24 0.04 0.00 0.00 0.00 0.00 23.12 22.87 1s6o s ALA 43 CO -0.00 0.35 -0.15 0.99 0.00 0.00 0.00 175.76 176.95 1s6o s THR 44 N -1.14 2.04 0.25 0.00 2.01 0.43 -0.97 115.64 118.27 1s6o s THR 44 Ca 0.06 -1.22 0.08 0.00 0.31 0.00 0.00 61.69 60.91 1s6o s THR 44 Cb -0.10 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.37 1s6o s THR 44 CO 0.04 0.26 0.15 -0.63 -0.69 0.00 0.00 174.62 173.75 1s6o s ILE 45 N 1.23 4.24 -0.11 1.82 1.01 -0.12 -0.62 121.20 128.65 1s6o s ILE 45 Ca -0.01 -1.51 0.02 0.00 0.00 0.00 0.00 60.65 59.15 1s6o s ILE 45 Cb -0.16 -3.29 0.01 0.00 0.01 0.00 0.00 42.46 39.03 1s6o s ILE 45 CO -0.09 -0.35 -0.17 0.54 0.00 0.00 0.00 174.94 174.86 1s6o s VAL 46 N -2.17 1.66 0.28 2.92 0.11 0.27 -0.63 120.40 122.84 1s6o s VAL 46 Ca 0.33 -0.75 -0.07 0.00 -2.93 0.00 0.00 61.98 58.56 1s6o s VAL 46 Cb -0.08 -1.50 0.03 0.00 -1.53 0.00 0.00 36.38 33.31 1s6o s VAL 46 CO 0.24 0.47 0.49 0.00 -3.33 0.00 0.00 175.10 172.98 1s6o n TYR 47 N 4.11 -1.68 -4.02 1.54 0.18 -0.01 -0.37 117.16 116.91 1s6o n TYR 47 Ca -0.19 -1.53 -0.13 0.00 1.88 0.00 0.00 57.90 57.93 1s6o n TYR 47 Cb 0.51 0.57 -0.13 0.00 -0.38 0.00 0.00 39.34 39.92 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 -2.28 0.30 -1.03 -3.48 0.74 -1.22 0.45 119.66 113.15 1s6o s GLN 48 Ca 0.16 -0.36 -0.23 0.00 0.05 0.00 0.00 55.36 54.98 1s6o s GLN 48 Cb -0.02 -0.15 -0.13 0.00 1.10 0.00 0.00 33.01 33.80 1s6o s GLN 48 CO 0.12 0.03 1.93 -0.35 -0.55 0.00 0.00 175.29 176.47 1s6o n PRO 49 N 2.35 1.35 0.07 1.67 -0.04 -1.26 -3.59 135.00 135.55 1s6o n PRO 49 Ca -0.17 -2.19 0.00 0.00 -0.04 0.00 0.00 63.50 61.10 1s6o n PRO 49 Cb 0.57 -3.51 0.00 0.00 -0.04 0.00 0.00 33.50 30.52 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 13.15 -2.02 0.06 0.54 -0.00 -1.26 -4.90 115.22 120.79 1s6o n HIS 50 Ca 0.46 0.36 0.01 0.00 0.46 0.00 0.00 57.72 59.01 1s6o n HIS 50 Cb 0.45 1.11 -0.06 0.00 -0.12 0.00 0.00 29.99 31.38 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 -8.89 0.27 3.38 -1.86 -3.46 115.31 104.75 1s6o h LEU 51 Ca 0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 1s6o h LEU 51 Cb 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.52 1s6o h LEU 51 CO 0.00 0.51 -0.86 -0.51 0.09 0.00 0.00 178.44 177.68 1s6o s ILE 52 N -2.97 2.37 -0.53 1.22 1.10 -1.25 -4.75 121.20 116.39 1s6o s ILE 52 Ca -0.01 -1.52 0.02 0.00 -0.51 0.00 0.00 60.65 58.62 1s6o s ILE 52 Cb 0.09 -2.01 0.13 0.00 0.15 0.00 0.00 42.46 40.82 1s6o s ILE 52 CO 0.80 0.22 0.91 -1.20 -2.11 0.00 0.00 174.94 173.55 1s6o n SER 53 N 1.27 2.39 0.00 4.50 7.64 -1.26 -4.38 113.62 123.77 1s6o n SER 53 Ca -0.17 -2.21 0.00 0.00 1.01 0.00 0.00 58.87 57.50 1s6o n SER 53 Cb 0.52 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 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 0.15 0.00 0.10 0.44 3.14 -1.26 -3.97 118.33 116.94 1s6o n VAL 54 Ca 0.07 0.00 -0.17 0.00 -2.96 0.00 0.00 64.34 61.28 1s6o n VAL 54 Cb 0.54 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 33.19 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 0.34 -0.85 1.45 4.57 -2.02 -3.31 114.58 114.76 1s6o h GLU 55 Ca 0.00 -0.53 0.14 0.00 -1.18 0.00 0.00 59.36 57.79 1s6o h GLU 55 Cb 0.00 0.19 -0.15 0.00 -0.16 0.00 0.00 28.75 28.64 1s6o h GLU 55 CO 0.00 1.24 -0.36 0.93 -1.18 0.00 0.00 179.01 179.64 1s6o h GLU 56 N 0.11 -0.06 -0.87 1.92 5.08 -1.94 -1.39 114.58 117.43 1s6o h GLU 56 Ca -0.14 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.41 1s6o h GLU 56 Cb 1.94 0.01 -0.16 0.00 0.50 0.00 0.00 28.75 31.04 1s6o h GLU 56 CO 0.21 -0.04 -0.14 1.98 -1.00 0.00 0.00 179.01 180.02 1s6o h MET 57 N -0.06 0.02 -0.02 2.33 4.05 -1.92 0.16 114.93 119.49 1s6o h MET 57 Ca 0.31 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.72 1s6o h MET 57 Cb 0.59 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.38 1s6o h MET 57 CO -0.88 0.01 -0.04 -0.22 0.23 0.00 0.00 176.91 176.01 1s6o h LYS 58 N 0.02 0.06 -0.60 0.39 1.63 -1.52 -3.32 116.57 113.23 1s6o h LYS 58 Ca 0.45 -0.04 0.17 0.00 -0.85 0.00 0.00 60.65 60.38 1s6o h LYS 58 Cb 0.75 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.36 1s6o h LYS 58 CO -0.86 0.64 0.43 0.87 -3.45 0.00 0.00 179.45 177.08 1s6o h LYS 59 N -0.52 0.00 0.04 1.90 6.56 0.21 0.38 116.57 125.15 1s6o h LYS 59 Ca -0.00 -0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.60 1s6o h LYS 59 Cb 0.64 -0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.28 1s6o h LYS 59 CO 0.01 0.00 -0.13 1.96 -2.06 0.00 0.00 179.45 179.23 1s6o h GLN 60 N 0.00 -0.23 -0.10 3.15 1.08 -1.04 0.40 115.11 118.37 1s6o h GLN 60 Ca 0.29 0.02 0.02 0.00 -1.45 0.00 0.00 58.65 57.52 1s6o h GLN 60 Cb 1.15 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.61 1s6o h GLN 60 CO -0.00 -0.15 -0.02 0.82 -0.95 0.00 0.00 178.83 178.53 1s6o h ILE 61 N -0.24 0.91 -0.46 2.54 5.03 -0.48 -2.76 117.51 122.05 1s6o h ILE 61 Ca 0.03 -0.00 0.08 0.00 -0.12 0.00 0.00 64.86 64.85 1s6o h ILE 61 Cb 0.27 0.90 -0.07 0.00 -3.03 0.00 0.00 36.82 34.89 1s6o h ILE 61 CO -0.10 0.00 0.03 -0.33 -0.68 0.00 0.00 178.15 177.08 1s6o h GLU 62 N 0.01 0.14 -0.01 2.37 5.08 -0.56 0.20 114.58 121.82 1s6o h GLU 62 Ca 0.05 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1s6o h GLU 62 Cb 0.07 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1s6o h GLU 62 CO -0.09 0.09 0.02 0.00 -1.00 0.00 0.00 179.01 178.03 1s6o h ALA 63 N 1.39 1.19 -0.00 3.43 0.00 -0.79 0.38 119.26 124.86 1s6o h ALA 63 Ca 0.23 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1s6o h ALA 63 Cb 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1s6o h ALA 63 CO -0.35 -0.03 -0.21 0.52 0.00 0.00 0.00 179.25 179.18 1s6o h MET 64 N 0.00 0.00 0.00 0.00 2.86 -0.66 -3.47 114.93 113.67 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 0.05 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1s6o h MET 64 CO -0.00 0.21 0.00 0.41 1.06 0.00 0.00 176.91 178.59 1s6o n GLY 65 N -0.94 2.49 3.59 8.32 0.00 0.12 -5.10 105.19 113.68 1s6o n GLY 65 Ca -0.02 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.02 2.17 -0.07 1.61 0.40 -1.24 -4.96 117.98 115.88 1s6o s PHE 66 Ca 0.00 0.61 -0.30 0.00 -0.60 0.00 0.00 56.93 56.65 1s6o s PHE 66 Cb 0.00 -4.28 -0.06 0.00 0.51 0.00 0.00 43.02 39.19 1s6o s PHE 66 CO 0.00 -2.20 1.73 -1.25 0.70 0.00 0.00 175.22 174.20 1s6o s PRO 67 N 5.46 4.08 0.00 0.24 0.04 -1.26 -4.11 135.00 139.45 1s6o s PRO 67 Ca 0.63 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.86 1s6o s PRO 67 Cb -0.14 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.35 1s6o s PRO 67 CO 0.29 -0.98 0.00 0.00 0.04 0.00 0.00 177.00 176.35 1s6o n ALA 68 N 7.58 0.00 -3.51 8.56 0.00 -1.26 -4.11 120.51 127.77 1s6o n ALA 68 Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.45 1s6o n ALA 68 Cb 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.61 -0.64 -0.20 0.00 5.36 -1.20 -4.97 117.98 115.72 1s6o s PHE 69 Ca 0.00 1.04 -0.07 0.00 -0.96 0.00 0.00 56.93 56.94 1s6o s PHE 69 Cb 0.00 0.43 -0.04 0.00 -0.34 0.00 0.00 43.02 43.07 1s6o s PHE 69 CO 0.00 -0.63 0.06 0.08 -1.46 0.00 0.00 175.22 173.27 1s6o s VAL 70 N -1.47 4.65 0.00 3.12 1.01 -1.26 -0.57 120.40 125.88 1s6o s VAL 70 Ca -0.10 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1s6o s VAL 70 Cb -0.00 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.27 1s6o s VAL 70 CO 0.07 0.43 0.00 0.29 0.00 0.00 0.00 175.10 175.90 1s6o n LYS 71 N 3.83 0.00 -4.31 2.72 5.02 -0.53 -4.96 118.16 119.93 1s6o n LYS 71 Ca -0.16 0.05 -0.27 0.00 -2.02 0.00 0.00 58.31 55.91 1s6o n LYS 71 Cb 0.52 -0.31 -0.10 0.00 -0.02 0.00 0.00 35.03 35.12 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 -0.30 1.98 -0.41 1.97 -2.85 -1.24 -5.03 119.74 113.86 1s6o s LYS 72 Ca 0.00 -1.33 0.11 0.00 -1.00 0.00 0.00 55.97 53.76 1s6o s LYS 72 Cb 0.00 -2.10 0.38 0.00 -2.06 0.00 0.00 37.83 34.05 1s6o s LYS 72 CO 0.00 0.42 0.85 0.44 0.10 0.00 0.00 175.35 177.17 1s6o n ILE 73 N 0.02 0.95 -3.44 3.79 -6.64 -1.26 -3.51 119.36 109.27 1s6o n ILE 73 Ca -0.11 -4.48 -0.11 0.00 -1.77 0.00 0.00 62.75 56.28 1s6o n ILE 73 Cb 0.56 -0.37 -0.02 0.00 -1.44 0.00 0.00 39.64 38.37 1s6o n ILE 73 CO 0.00 0.00 0.00 -0.70 -1.77 0.00 0.00 176.55 174.08 1s6o s GLU 74 N -2.88 1.23 0.00 6.28 2.12 -1.24 -5.03 118.70 119.18 1s6o s GLU 74 Ca 0.40 -0.46 0.00 0.00 0.36 0.00 0.00 54.97 55.26 1s6o s GLU 74 Cb 0.36 0.56 0.00 0.00 0.26 0.00 0.00 34.13 35.32 1s6o s GLU 74 CO -0.08 -0.54 0.00 0.41 -0.54 0.00 0.00 175.26 174.52 1s6o n GLY 75 N -0.36 1.01 0.00 -1.50 0.00 -1.25 -4.31 105.19 98.78 1s6o n GLY 75 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1s6o n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19