#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6o s GLU 2 N 0.00 3.45 0.13 1.61 8.01 -1.26 -4.78 118.70 125.86 1s6o s GLU 2 Ca 0.00 -0.64 0.09 0.00 0.01 0.00 0.00 54.97 54.43 1s6o s GLU 2 Cb 0.00 -2.87 -0.04 0.00 -4.31 0.00 0.00 34.13 26.91 1s6o s GLU 2 CO 0.00 0.41 -0.21 0.08 0.01 0.00 0.00 175.26 175.55 1s6o s VAL 3 N -1.96 1.85 0.32 2.63 1.01 0.41 -4.83 120.40 119.82 1s6o s VAL 3 Ca 0.35 -1.70 -0.27 0.00 0.00 0.00 0.00 61.98 60.37 1s6o s VAL 3 Cb -0.10 -1.72 -0.10 0.00 0.00 0.00 0.00 36.38 34.46 1s6o s VAL 3 CO 0.30 -0.11 0.97 0.54 0.00 0.00 0.00 175.10 176.80 1s6o s VAL 4 N -1.40 4.09 -0.06 2.92 0.11 -1.26 -1.54 120.40 123.26 1s6o s VAL 4 Ca 0.11 1.78 0.04 0.00 -2.93 0.00 0.00 61.98 60.98 1s6o s VAL 4 Cb -0.09 -4.01 0.00 0.00 -1.53 0.00 0.00 36.38 30.75 1s6o s VAL 4 CO 0.05 0.19 -0.19 -0.22 -3.33 0.00 0.00 175.10 171.60 1s6o s LEU 5 N -1.97 1.91 -0.36 2.54 2.96 0.43 -4.37 118.68 119.83 1s6o s LEU 5 Ca 0.50 -0.41 -0.08 0.00 -0.22 0.00 0.00 54.13 53.91 1s6o s LEU 5 Cb -0.21 -1.09 0.04 0.00 0.50 0.00 0.00 46.19 45.43 1s6o s LEU 5 CO 0.26 0.14 0.15 -0.54 -1.32 0.00 0.00 176.35 175.05 1s6o s LYS 6 N 0.22 2.69 0.34 1.98 -0.14 -0.77 -0.98 119.74 123.07 1s6o s LYS 6 Ca -0.10 -1.16 0.09 0.00 -1.36 0.00 0.00 55.97 53.44 1s6o s LYS 6 Cb -0.14 -3.58 -0.05 0.00 -1.68 0.00 0.00 37.83 32.38 1s6o s LYS 6 CO 0.04 -0.70 0.09 0.00 -0.76 0.00 0.00 175.35 174.02 1s6o s MET 7 N 1.46 2.25 -0.14 1.68 0.23 0.28 -0.98 119.30 124.09 1s6o s MET 7 Ca -0.00 -1.62 -0.03 0.00 -1.03 0.00 0.00 55.69 53.01 1s6o s MET 7 Cb -0.20 -2.08 -0.03 0.00 -1.53 0.00 0.00 34.83 31.00 1s6o s MET 7 CO 0.04 0.13 -0.06 0.21 -2.03 0.00 0.00 175.02 173.32 1s6o s LYS 8 N -3.79 3.53 -0.68 3.16 2.36 0.65 -0.80 119.74 124.18 1s6o s LYS 8 Ca 0.36 -0.55 0.05 0.00 -2.55 0.00 0.00 55.97 53.29 1s6o s LYS 8 Cb -0.02 -2.84 0.19 0.00 -1.05 0.00 0.00 37.83 34.12 1s6o s LYS 8 CO 0.21 0.28 0.55 0.28 1.55 0.00 0.00 175.35 178.22 1s6o n VAL 9 N 3.39 1.64 -1.27 4.02 0.31 -0.23 -1.55 118.33 124.63 1s6o n VAL 9 Ca -0.18 -4.87 -0.30 0.00 -0.01 0.00 0.00 64.34 58.98 1s6o n VAL 9 Cb 0.53 -2.14 0.22 0.00 -0.91 0.00 0.00 33.84 31.54 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 -1.63 -0.68 0.00 5.55 0.41 -1.18 -4.19 118.70 116.98 1s6o s GLU 10 Ca 0.29 -0.09 0.00 0.00 -0.41 0.00 0.00 54.97 54.75 1s6o s GLU 10 Cb 0.01 -1.66 0.00 0.00 -1.78 0.00 0.00 34.13 30.70 1s6o s GLU 10 CO -0.14 -3.35 0.00 0.41 -0.49 0.00 0.00 175.26 171.70 1s6o n GLY 11 N -1.57 1.54 3.72 -1.39 0.00 -1.26 -4.62 105.19 101.61 1s6o n GLY 11 Ca 0.13 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 4.35 -0.34 1.61 -1.94 -1.26 -4.91 119.30 116.80 1s6o s MET 12 Ca 0.00 2.07 0.08 0.00 -1.71 0.00 0.00 55.69 56.13 1s6o s MET 12 Cb 0.00 -3.22 0.31 0.00 2.01 0.00 0.00 34.83 33.93 1s6o s MET 12 CO 0.00 -0.36 1.29 -2.37 -0.01 0.00 0.00 175.02 173.57 1s6o n THR 13 N 3.39 0.00 -2.70 2.05 5.66 -1.26 -4.90 114.28 116.51 1s6o n THR 13 Ca 0.09 -1.12 -0.05 0.00 -3.05 0.00 0.00 64.05 59.92 1s6o n THR 13 Cb 0.42 0.89 0.10 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 n HIS 15 N -0.85 -0.31 -2.68 0.00 -0.00 -1.26 -4.75 115.22 105.36 1s6o n HIS 15 Ca -0.05 0.04 -0.02 0.00 0.46 0.00 0.00 57.72 58.15 1s6o n HIS 15 Cb 0.85 -0.64 0.13 0.00 -0.12 0.00 0.00 29.99 30.20 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 0.07 -1.41 -2.71 0.26 2.88 -1.26 -4.97 113.62 106.47 1s6o n SER 16 Ca -0.04 -2.23 -0.06 0.00 -1.33 0.00 0.00 58.87 55.21 1s6o n SER 16 Cb 0.14 0.68 0.07 0.00 -0.75 0.00 0.00 64.21 64.34 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 1.48 0.00 -0.30 0.00 -2.24 -1.26 -4.81 114.28 107.14 1s6o n THR 18 Ca 0.05 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.92 1s6o n THR 18 Cb 0.67 -0.28 0.31 0.00 -2.10 0.00 0.00 70.33 68.93 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 0.79 -0.13 3.42 0.87 -1.96 0.55 113.55 117.09 1s6o h SER 19 Ca 0.00 0.03 0.04 0.00 -1.23 0.00 0.00 61.79 60.63 1s6o h SER 19 Cb 0.00 -0.13 -0.07 0.00 -0.44 0.00 0.00 62.40 61.77 1s6o h SER 19 CO 0.00 0.43 -0.48 0.74 -0.53 0.00 0.00 176.83 177.00 1s6o h THR 20 N 0.86 0.07 -0.05 2.23 2.02 -1.98 0.21 112.91 116.28 1s6o h THR 20 Ca 0.45 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.65 1s6o h THR 20 Cb 0.52 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 1s6o h THR 20 CO -0.21 0.00 -0.11 0.40 0.37 0.00 0.00 175.52 175.97 1s6o h ILE 21 N -0.54 0.71 0.42 3.11 5.03 -0.36 0.04 117.51 125.92 1s6o h ILE 21 Ca 0.06 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.78 1s6o h ILE 21 Cb 0.66 0.71 -0.01 0.00 -3.03 0.00 0.00 36.82 35.15 1s6o h ILE 21 CO -0.42 0.00 -0.33 -0.33 -0.68 0.00 0.00 178.15 176.40 1s6o h GLU 22 N -0.16 -0.69 -0.46 2.37 5.08 -0.34 0.13 114.58 120.50 1s6o h GLU 22 Ca 0.06 0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.55 1s6o h GLU 22 Cb 0.24 0.16 -0.10 0.00 0.50 0.00 0.00 28.75 29.55 1s6o h GLU 22 CO -0.14 -0.46 -0.29 0.78 -1.00 0.00 0.00 179.01 177.89 1s6o h GLY 23 N -0.72 -0.11 0.90 -3.84 0.00 -0.64 0.31 103.07 98.97 1s6o h GLY 23 Ca -0.05 0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.64 1s6o h GLY 23 CO 0.01 -0.21 -0.07 1.70 0.00 0.00 0.00 176.54 177.97 1s6o h LYS 24 N -0.20 -0.20 -0.77 4.80 3.64 -0.74 -1.80 116.57 121.30 1s6o h LYS 24 Ca 0.20 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.70 1s6o h LYS 24 Cb 0.52 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.33 1s6o h LYS 24 CO -0.57 -0.04 0.51 0.82 -2.27 0.00 0.00 179.45 177.90 1s6o h ILE 25 N -0.31 0.90 0.00 2.00 1.08 -0.58 0.30 117.51 120.89 1s6o h ILE 25 Ca -0.02 -0.22 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 1s6o h ILE 25 Cb 0.25 0.22 0.00 0.00 -3.07 0.00 0.00 36.82 34.21 1s6o h ILE 25 CO 0.03 0.11 0.00 0.61 -0.69 0.00 0.00 178.15 178.22 1s6o n GLY 26 N -1.47 -0.69 0.13 5.37 0.00 0.11 -0.36 105.19 108.29 1s6o n GLY 26 Ca 0.13 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.37 1s6o n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s6o h LYS 27 N 0.00 0.00 -6.61 1.61 1.79 -0.66 -3.48 116.57 109.22 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 0.00 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 30.68 1s6o h LYS 27 CO 0.00 0.02 0.72 -0.51 -1.08 0.00 0.00 179.45 178.60 1s6o s LEU 28 N -5.56 4.39 -0.46 2.94 2.01 0.51 -4.91 118.68 117.60 1s6o s LEU 28 Ca 0.01 2.40 -0.34 0.00 0.01 0.00 0.00 54.13 56.21 1s6o s LEU 28 Cb 0.09 -3.60 -0.13 0.00 0.01 0.00 0.00 46.19 42.56 1s6o s LEU 28 CO 0.77 -0.63 2.29 0.00 1.01 0.00 0.00 176.35 179.78 1s6o n GLN 29 N 3.40 0.86 0.00 1.70 10.64 -1.26 -1.70 117.38 131.02 1s6o n GLN 29 Ca 0.10 0.19 0.00 0.00 -1.83 0.00 0.00 57.00 55.46 1s6o n GLN 29 Cb 0.42 -2.41 0.00 0.00 -0.86 0.00 0.00 30.24 27.39 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 6.53 0.94 3.73 2.61 0.00 -1.26 -3.21 105.19 114.52 1s6o n GLY 30 Ca 0.45 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.06 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 4.70 -0.19 1.61 1.01 -0.69 -3.20 120.40 122.47 1s6o s VAL 31 Ca 0.00 1.89 -0.01 0.00 0.00 0.00 0.00 61.98 63.86 1s6o s VAL 31 Cb 0.00 -4.24 -0.12 0.00 0.00 0.00 0.00 36.38 32.02 1s6o s VAL 31 CO 0.00 0.29 -0.19 0.00 0.00 0.00 0.00 175.10 175.20 1s6o n GLN 32 N 3.13 0.47 -4.17 2.72 10.64 -0.81 -4.85 117.38 124.51 1s6o n GLN 32 Ca 0.02 0.13 -0.11 0.00 -1.83 0.00 0.00 57.00 55.20 1s6o n GLN 32 Cb 0.50 -1.35 -0.10 0.00 -0.86 0.00 0.00 30.24 28.43 1s6o n GLN 32 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.06 175.73 1s6o s ARG 33 N -2.38 0.88 -0.07 2.61 6.06 -1.23 -5.05 118.95 119.77 1s6o s ARG 33 Ca -0.26 -1.38 -0.19 0.00 -2.50 0.00 0.00 55.73 51.41 1s6o s ARG 33 Cb 0.07 -0.10 0.04 0.00 0.06 0.00 0.00 34.95 35.03 1s6o s ARG 33 CO 0.42 -0.09 0.43 -1.50 -2.50 0.00 0.00 175.30 172.06 1s6o s ILE 34 N -3.73 0.03 -0.27 4.11 2.07 -1.26 -1.74 121.20 120.41 1s6o s ILE 34 Ca 0.15 -0.23 -0.02 0.00 -1.41 0.00 0.00 60.65 59.14 1s6o s ILE 34 Cb 0.06 -0.70 0.12 0.00 0.13 0.00 0.00 42.46 42.07 1s6o s ILE 34 CO -0.03 -0.13 0.23 -0.54 -1.91 0.00 0.00 174.94 172.57 1s6o s LYS 35 N -0.83 0.26 -0.55 3.50 3.01 0.62 -5.00 119.74 120.76 1s6o s LYS 35 Ca -0.09 -0.17 -0.16 0.00 -1.01 0.00 0.00 55.97 54.54 1s6o s LYS 35 Cb -0.04 -0.92 0.13 0.00 -1.01 0.00 0.00 37.83 35.99 1s6o s LYS 35 CO 0.04 -0.94 0.53 0.08 0.51 0.00 0.00 175.35 175.57 1s6o s VAL 36 N 2.29 5.16 -1.23 3.17 1.01 -1.26 -0.46 120.40 129.07 1s6o s VAL 36 Ca 0.09 -1.42 -0.13 0.00 0.00 0.00 0.00 61.98 60.52 1s6o s VAL 36 Cb -0.15 -4.36 0.17 0.00 0.00 0.00 0.00 36.38 32.04 1s6o s VAL 36 CO -0.29 -0.90 1.56 -1.20 0.00 0.00 0.00 175.10 174.27 1s6o n SER 37 N 5.40 5.17 -0.21 3.32 7.64 -0.94 -4.81 113.62 129.18 1s6o n SER 37 Ca -0.13 -3.01 0.16 0.00 1.01 0.00 0.00 58.87 56.90 1s6o n SER 37 Cb 0.40 -1.56 0.48 0.00 -1.01 0.00 0.00 64.21 62.52 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 9.38 0.46 -0.94 -3.43 5.85 -1.89 0.28 115.31 125.02 1s6o h LEU 38 Ca 0.35 0.03 0.16 0.00 0.84 0.00 0.00 57.88 59.26 1s6o h LEU 38 Cb 0.81 -0.06 -0.16 0.00 0.37 0.00 0.00 40.66 41.62 1s6o h LEU 38 CO 1.35 0.22 -0.31 0.47 -0.34 0.00 0.00 178.44 179.84 1s6o n ASP 39 N -4.51 -0.49 -0.09 1.25 9.92 -1.26 -0.39 116.55 120.98 1s6o n ASP 39 Ca 0.16 1.62 0.13 0.00 -0.53 0.00 0.00 54.79 56.18 1s6o n ASP 39 Cb 0.56 -0.42 0.47 0.00 -0.64 0.00 0.00 41.12 41.09 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 -5.44 0.49 -0.94 -2.24 5.15 0.94 -4.90 115.26 108.32 1s6o n ASN 40 Ca 0.12 -0.36 -0.12 0.00 -0.60 0.00 0.00 54.58 53.62 1s6o n ASN 40 Cb 0.42 -0.02 -0.05 0.00 -0.53 0.00 0.00 39.78 39.59 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 -1.15 -1.33 -3.95 1.20 6.02 0.47 -4.95 117.38 113.70 1s6o n GLN 41 Ca 0.10 0.91 -0.11 0.00 -0.01 0.00 0.00 57.00 57.89 1s6o n GLN 41 Cb 0.32 -5.14 -0.12 0.00 1.02 0.00 0.00 30.24 26.31 1s6o n GLN 41 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1s6o s GLU 42 N -2.94 0.19 0.03 -1.09 2.02 -1.14 -1.07 118.70 114.71 1s6o s GLU 42 Ca 0.00 -0.34 0.02 0.00 0.02 0.00 0.00 54.97 54.67 1s6o s GLU 42 Cb 0.00 0.02 -0.02 0.00 0.10 0.00 0.00 34.13 34.23 1s6o s GLU 42 CO 0.00 -0.02 -0.06 0.00 0.02 0.00 0.00 175.26 175.20 1s6o s ALA 43 N -0.77 0.43 -0.21 5.21 0.00 0.02 -2.22 121.76 124.21 1s6o s ALA 43 Ca -0.08 -0.60 -0.01 0.00 0.00 0.00 0.00 51.96 51.27 1s6o s ALA 43 Cb -0.05 0.04 0.06 0.00 0.00 0.00 0.00 23.12 23.16 1s6o s ALA 43 CO -0.00 -0.03 -0.01 0.99 0.00 0.00 0.00 175.76 176.71 1s6o s THR 44 N -1.11 1.02 0.43 0.00 2.01 0.39 -0.56 115.64 117.82 1s6o s THR 44 Ca -0.09 -0.84 0.06 0.00 0.31 0.00 0.00 61.69 61.14 1s6o s THR 44 Cb -0.08 -1.38 -0.06 0.00 0.01 0.00 0.00 72.50 70.99 1s6o s THR 44 CO -0.00 -0.12 0.06 -0.63 -0.69 0.00 0.00 174.62 173.25 1s6o s ILE 45 N 1.64 1.94 -0.05 1.82 1.09 -0.16 -0.27 121.20 127.21 1s6o s ILE 45 Ca -0.03 -1.91 -0.02 0.00 -1.10 0.00 0.00 60.65 57.59 1s6o s ILE 45 Cb -0.18 -2.85 0.04 0.00 -1.06 0.00 0.00 42.46 38.41 1s6o s ILE 45 CO -0.07 0.00 0.10 0.54 -0.10 0.00 0.00 174.94 175.41 1s6o s VAL 46 N -2.71 -0.14 0.35 2.92 0.11 -0.71 -0.43 120.40 119.80 1s6o s VAL 46 Ca 0.32 0.32 -0.12 0.00 -2.93 0.00 0.00 61.98 59.57 1s6o s VAL 46 Cb 0.07 -0.20 0.03 0.00 -1.53 0.00 0.00 36.38 34.75 1s6o s VAL 46 CO 0.17 0.13 0.66 -0.72 -3.33 0.00 0.00 175.10 172.02 1s6o s TYR 47 N 1.81 0.36 -0.00 1.54 -0.85 -0.59 -1.92 117.35 117.70 1s6o s TYR 47 Ca -0.01 -0.86 0.07 0.00 -0.52 0.00 0.00 57.07 55.75 1s6o s TYR 47 Cb -0.12 0.51 -0.02 0.00 0.38 0.00 0.00 41.96 42.71 1s6o s TYR 47 CO -0.04 -1.36 -0.21 -1.14 -1.52 0.00 0.00 175.55 171.28 1s6o s GLN 48 N -2.88 1.67 -1.18 -3.49 0.74 -1.19 -0.45 119.66 112.87 1s6o s GLN 48 Ca 0.20 -0.81 -0.22 0.00 0.05 0.00 0.00 55.36 54.57 1s6o s GLN 48 Cb -0.04 -1.65 -0.06 0.00 1.10 0.00 0.00 33.01 32.36 1s6o s GLN 48 CO 0.13 0.45 1.90 -1.25 -0.55 0.00 0.00 175.29 175.97 1s6o s PRO 49 N -0.66 2.73 0.05 1.67 0.04 -1.26 -3.47 135.00 134.09 1s6o s PRO 49 Ca 0.08 -1.23 0.00 0.00 0.04 0.00 0.00 61.00 59.89 1s6o s PRO 49 Cb -0.08 -5.28 0.00 0.00 0.04 0.00 0.00 34.50 29.18 1s6o s PRO 49 CO -0.00 -3.67 0.00 1.58 0.04 0.00 0.00 177.00 174.95 1s6o n HIS 50 N 13.42 -2.05 0.04 0.56 -0.00 -1.26 -4.96 115.22 120.97 1s6o n HIS 50 Ca 0.45 0.16 -0.18 0.00 -0.00 0.00 0.00 57.72 58.15 1s6o n HIS 50 Cb 0.47 0.71 -0.14 0.00 -0.00 0.00 0.00 29.99 31.02 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 0.38 -9.43 0.27 3.38 -1.83 -3.46 115.31 104.62 1s6o h LEU 51 Ca 0.00 -0.62 -0.65 0.00 0.09 0.00 0.00 57.88 56.69 1s6o h LEU 51 Cb 0.00 -0.12 -0.13 0.00 0.09 0.00 0.00 40.66 40.50 1s6o h LEU 51 CO 0.00 1.54 -0.67 -0.51 0.09 0.00 0.00 178.44 178.88 1s6o s ILE 52 N -2.59 3.92 -0.17 1.22 1.10 -1.20 -4.72 121.20 118.76 1s6o s ILE 52 Ca -0.13 -1.00 0.01 0.00 -0.51 0.00 0.00 60.65 59.02 1s6o s ILE 52 Cb 0.07 -2.85 0.20 0.00 0.15 0.00 0.00 42.46 40.03 1s6o s ILE 52 CO 0.83 0.14 1.51 -1.20 -2.11 0.00 0.00 174.94 174.11 1s6o n SER 53 N 0.66 4.09 0.00 4.50 7.64 -1.26 -4.61 113.62 124.64 1s6o n SER 53 Ca -0.11 -2.63 0.00 0.00 1.01 0.00 0.00 58.87 57.13 1s6o n SER 53 Cb 0.52 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 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 0.17 0.00 -0.04 0.44 0.31 -1.26 -3.63 118.33 114.32 1s6o n VAL 54 Ca 0.20 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.50 1s6o n VAL 54 Cb 0.79 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.59 1s6o n VAL 54 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1s6o n GLU 55 N 0.00 0.66 -0.30 5.55 2.13 -1.26 -4.29 120.64 123.12 1s6o n GLU 55 Ca 0.00 0.05 0.07 0.00 0.66 0.00 0.00 57.16 57.94 1s6o n GLU 55 Cb 0.00 -1.63 0.17 0.00 0.27 0.00 0.00 31.44 30.25 1s6o n GLU 55 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1s6o h GLU 56 N 0.00 0.03 -0.23 5.31 4.39 -1.94 0.37 114.58 122.52 1s6o h GLU 56 Ca -0.30 -0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.43 1s6o h GLU 56 Cb 1.79 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 30.37 1s6o h GLU 56 CO 0.03 0.02 -0.47 1.98 -1.16 0.00 0.00 179.01 179.42 1s6o h MET 57 N 0.03 -0.41 -0.45 2.33 4.05 -1.91 0.14 114.93 118.71 1s6o h MET 57 Ca 0.46 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.91 1s6o h MET 57 Cb 0.81 0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.68 1s6o h MET 57 CO -0.83 -0.27 0.29 -0.22 0.23 0.00 0.00 176.91 176.11 1s6o h LYS 58 N -0.42 0.60 -0.22 0.39 3.64 -1.46 -1.44 116.57 117.65 1s6o h LYS 58 Ca 0.04 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1s6o h LYS 58 Cb 0.54 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1s6o h LYS 58 CO -0.44 0.41 0.19 0.87 -2.27 0.00 0.00 179.45 178.21 1s6o h LYS 59 N 0.61 0.00 -0.14 1.90 6.56 -0.40 -0.24 116.57 124.86 1s6o h LYS 59 Ca 0.17 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.74 1s6o h LYS 59 Cb -0.05 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.60 1s6o h LYS 59 CO -0.03 0.00 0.02 -0.56 -2.06 0.00 0.00 179.45 176.82 1s6o h GLN 60 N 0.00 0.24 -0.59 3.15 3.07 0.39 0.77 115.11 122.14 1s6o h GLN 60 Ca 0.11 -0.06 0.06 0.00 0.09 0.00 0.00 58.65 58.84 1s6o h GLN 60 Cb 0.48 -0.03 -0.05 0.00 0.08 0.00 0.00 27.48 27.96 1s6o h GLN 60 CO -0.00 0.42 0.30 0.82 0.09 0.00 0.00 178.83 180.46 1s6o h ILE 61 N 0.02 0.94 -0.04 1.86 5.03 -1.01 0.72 117.51 125.02 1s6o h ILE 61 Ca 0.04 -0.20 0.03 0.00 -0.12 0.00 0.00 64.86 64.62 1s6o h ILE 61 Cb 0.30 0.32 -0.04 0.00 -3.03 0.00 0.00 36.82 34.37 1s6o h ILE 61 CO 0.00 0.10 -0.20 -0.33 -0.68 0.00 0.00 178.15 177.05 1s6o h GLU 62 N 0.57 -0.29 0.00 2.37 5.08 -0.89 -2.68 114.58 118.75 1s6o h GLU 62 Ca 0.27 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1s6o h GLU 62 Cb 0.18 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1s6o h GLU 62 CO -0.18 -0.19 -0.04 0.00 -1.00 0.00 0.00 179.01 177.60 1s6o h ALA 63 N 0.63 1.39 -0.84 3.43 0.00 0.29 0.11 119.26 124.27 1s6o h ALA 63 Ca 0.07 -0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.11 1s6o h ALA 63 Cb 0.39 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1s6o h ALA 63 CO -0.21 0.05 0.55 0.52 0.00 0.00 0.00 179.25 180.16 1s6o h MET 64 N 0.00 0.45 0.00 0.00 2.86 -0.54 -3.46 114.93 114.25 1s6o h MET 64 Ca -0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1s6o h MET 64 Cb 0.11 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1s6o h MET 64 CO 0.00 0.30 0.00 0.41 1.06 0.00 0.00 176.91 178.69 1s6o n GLY 65 N -1.50 1.54 3.70 8.32 0.00 0.37 -5.12 105.19 112.50 1s6o n GLY 65 Ca 0.17 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.10 3.53 0.17 1.61 0.08 -1.20 -5.00 117.98 117.07 1s6o s PHE 66 Ca 0.00 1.25 -0.32 0.00 0.12 0.00 0.00 56.93 57.98 1s6o s PHE 66 Cb 0.00 -2.87 -0.11 0.00 -0.57 0.00 0.00 43.02 39.47 1s6o s PHE 66 CO 0.00 -0.02 1.68 -1.25 -0.10 0.00 0.00 175.22 175.53 1s6o s PRO 67 N 1.21 4.16 0.20 0.24 0.04 -1.26 -3.85 135.00 135.74 1s6o s PRO 67 Ca 0.38 2.50 0.02 0.00 0.04 0.00 0.00 61.00 63.94 1s6o s PRO 67 Cb -0.17 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.12 1s6o s PRO 67 CO 0.17 -0.71 0.02 0.00 0.04 0.00 0.00 177.00 176.52 1s6o s ALA 68 N 1.44 1.47 0.03 8.56 0.00 -1.26 -3.12 121.76 128.88 1s6o s ALA 68 Ca 0.74 -1.67 -0.23 0.00 0.00 0.00 0.00 51.96 50.81 1s6o s ALA 68 Cb -0.47 0.65 0.05 0.00 0.00 0.00 0.00 23.12 23.36 1s6o s ALA 68 CO 0.32 -0.34 0.52 0.12 0.00 0.00 0.00 175.76 176.37 1s6o s PHE 69 N -3.66 -0.42 -0.16 0.00 5.36 -0.60 -4.85 117.98 113.64 1s6o s PHE 69 Ca 0.27 0.53 0.02 0.00 -0.96 0.00 0.00 56.93 56.79 1s6o s PHE 69 Cb 0.06 0.32 0.02 0.00 -0.34 0.00 0.00 43.02 43.08 1s6o s PHE 69 CO 0.06 -0.61 -0.21 0.54 -1.46 0.00 0.00 175.22 173.55 1s6o s VAL 70 N -2.15 2.08 -0.20 3.12 0.11 -1.26 -0.25 120.40 121.84 1s6o s VAL 70 Ca -0.07 -0.95 -0.16 0.00 -2.93 0.00 0.00 61.98 57.88 1s6o s VAL 70 Cb -0.01 -1.85 -0.10 0.00 -1.53 0.00 0.00 36.38 32.88 1s6o s VAL 70 CO 0.01 0.54 -0.14 0.29 -3.33 0.00 0.00 175.10 172.47 1s6o n LYS 71 N 4.40 0.53 -5.03 1.54 5.02 -0.31 -4.95 118.16 119.35 1s6o n LYS 71 Ca -0.21 0.42 -0.28 0.00 -2.02 0.00 0.00 58.31 56.22 1s6o n LYS 71 Cb 0.51 -1.61 -0.16 0.00 -0.02 0.00 0.00 35.03 33.75 1s6o n LYS 71 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1s6o s LYS 72 N -2.47 1.98 0.54 1.97 2.20 -0.15 -4.98 119.74 118.82 1s6o s LYS 72 Ca -0.27 -0.75 0.07 0.00 -0.36 0.00 0.00 55.97 54.66 1s6o s LYS 72 Cb 0.06 -1.76 0.05 0.00 -1.51 0.00 0.00 37.83 34.66 1s6o s LYS 72 CO 0.43 0.36 0.51 -1.50 -0.36 0.00 0.00 175.35 174.79 1s6o s ILE 73 N -0.21 1.91 0.96 5.43 1.10 -1.26 -1.85 121.20 127.28 1s6o s ILE 73 Ca 0.01 -1.33 -0.16 0.00 -0.51 0.00 0.00 60.65 58.65 1s6o s ILE 73 Cb -0.11 -2.24 0.19 0.00 0.15 0.00 0.00 42.46 40.45 1s6o s ILE 73 CO 0.02 0.00 1.29 -1.83 -2.11 0.00 0.00 174.94 172.30 1s6o s GLU 74 N -4.37 0.65 2.76 3.50 1.03 -1.26 -4.69 118.70 116.32 1s6o s GLU 74 Ca 0.43 -0.31 0.00 0.00 0.03 0.00 0.00 54.97 55.13 1s6o s GLU 74 Cb -0.03 -1.84 0.00 0.00 -0.80 0.00 0.00 34.13 31.46 1s6o s GLU 74 CO 0.27 -2.42 0.00 0.41 -1.33 0.00 0.00 175.26 172.19 1s6o n GLY 75 N -3.46 0.93 4.00 -3.83 0.00 -1.26 -5.06 105.19 96.51 1s6o n GLY 75 Ca 0.14 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1s6o n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19