#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 2.48 -4.42 1.61 0.28 -1.26 -4.67 120.64 114.66 1s6o n GLU 2 Ca 0.00 0.90 -0.27 0.00 -0.16 0.00 0.00 57.16 57.63 1s6o n GLU 2 Cb 0.00 -2.74 -0.12 0.00 1.43 0.00 0.00 31.44 30.01 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 2.30 2.34 0.53 3.84 -7.23 0.57 -4.87 120.40 117.89 1s6o s VAL 3 Ca 0.82 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.82 1s6o s VAL 3 Cb -0.58 -2.11 -0.07 0.00 0.56 0.00 0.00 36.38 34.18 1s6o s VAL 3 CO 0.40 -0.09 1.02 -0.69 -0.31 0.00 0.00 175.10 175.42 1s6o s VAL 4 N -1.60 4.13 -0.01 1.32 1.01 -1.26 -0.82 120.40 123.16 1s6o s VAL 4 Ca 0.20 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.28 1s6o s VAL 4 Cb -0.08 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.77 1s6o s VAL 4 CO 0.09 -0.51 -0.01 -0.22 0.00 0.00 0.00 175.10 174.46 1s6o s LEU 5 N -4.04 1.65 -0.10 3.92 0.20 0.70 -3.79 118.68 117.21 1s6o s LEU 5 Ca 0.62 -0.02 0.00 0.00 0.69 0.00 0.00 54.13 55.42 1s6o s LEU 5 Cb -0.13 -0.13 -0.02 0.00 -0.43 0.00 0.00 46.19 45.47 1s6o s LEU 5 CO 0.30 -0.03 -0.09 -0.75 -0.29 0.00 0.00 176.35 175.49 1s6o s LYS 6 N 0.40 3.08 -0.03 1.98 2.20 -1.26 -0.44 119.74 125.68 1s6o s LYS 6 Ca -0.04 -0.60 -0.04 0.00 -0.36 0.00 0.00 55.97 54.93 1s6o s LYS 6 Cb -0.06 -2.64 0.01 0.00 -1.51 0.00 0.00 37.83 33.63 1s6o s LYS 6 CO -0.01 0.45 0.10 0.00 -0.36 0.00 0.00 175.35 175.53 1s6o s MET 7 N -0.23 0.22 0.42 4.03 0.23 0.14 -1.89 119.30 122.22 1s6o s MET 7 Ca 0.02 -0.04 -0.23 0.00 -1.03 0.00 0.00 55.69 54.42 1s6o s MET 7 Cb -0.13 0.10 -0.09 0.00 -1.53 0.00 0.00 34.83 33.18 1s6o s MET 7 CO 0.03 -0.04 1.03 0.15 -2.03 0.00 0.00 175.02 174.16 1s6o s LYS 8 N -0.40 4.08 -0.35 3.16 -0.14 0.86 -0.17 119.74 126.79 1s6o s LYS 8 Ca -0.05 1.43 0.14 0.00 -1.36 0.00 0.00 55.97 56.13 1s6o s LYS 8 Cb -0.03 -2.39 0.45 0.00 -1.68 0.00 0.00 37.83 34.18 1s6o s LYS 8 CO 0.00 -0.20 1.02 0.28 -0.76 0.00 0.00 175.35 175.70 1s6o n VAL 9 N -0.35 1.49 -1.73 3.17 0.31 0.30 -1.81 118.33 119.71 1s6o n VAL 9 Ca 0.06 -3.64 -0.40 0.00 -0.01 0.00 0.00 64.34 60.35 1s6o n VAL 9 Cb 0.51 0.08 0.02 0.00 -0.91 0.00 0.00 33.84 33.54 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 -0.26 2.06 0.00 5.55 -0.58 -1.25 -3.79 120.64 122.36 1s6o n GLU 10 Ca 0.19 0.74 0.00 0.00 -0.42 0.00 0.00 57.16 57.67 1s6o n GLU 10 Cb 0.78 -2.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.13 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 0.70 1.58 3.71 0.62 0.00 -1.26 -3.57 105.19 106.96 1s6o n GLY 11 Ca 0.06 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.30 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 1.69 0.00 1.61 2.81 -1.25 -5.02 117.12 116.96 1s6o n MET 12 Ca 0.00 0.61 0.00 0.00 -1.81 0.00 0.00 57.70 56.50 1s6o n MET 12 Cb 0.00 -2.45 0.00 0.00 -0.71 0.00 0.00 33.22 30.06 1s6o n MET 12 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1s6o n THR 13 N -0.80 0.00 -0.27 2.03 -2.24 -1.26 -5.06 114.28 106.67 1s6o n THR 13 Ca 0.09 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.57 1s6o n THR 13 Cb 0.43 -1.86 0.29 0.00 -2.10 0.00 0.00 70.33 67.09 1s6o n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s6o n HIS 15 N -5.74 0.09 -1.95 0.00 1.44 -1.26 -4.13 115.22 103.67 1s6o n HIS 15 Ca 0.14 -0.18 -0.06 0.00 -2.01 0.00 0.00 57.72 55.61 1s6o n HIS 15 Cb 0.59 -0.75 -0.06 0.00 0.12 0.00 0.00 29.99 29.90 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 7.08 -0.88 0.00 4.39 2.88 -1.26 -5.11 113.62 120.72 1s6o n SER 16 Ca 0.20 -1.75 0.00 0.00 -1.33 0.00 0.00 58.87 55.99 1s6o n SER 16 Cb 0.36 0.27 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 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 0.00 0.00 -0.32 0.00 -2.24 -1.26 -4.31 114.28 106.15 1s6o n THR 18 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 1s6o n THR 18 Cb 0.00 0.00 0.19 0.00 -2.10 0.00 0.00 70.33 68.42 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 0.76 -0.48 3.42 0.87 -1.96 0.72 113.55 116.88 1s6o h SER 19 Ca 0.00 0.05 0.05 0.00 -1.23 0.00 0.00 61.79 60.66 1s6o h SER 19 Cb 0.00 -0.10 -0.09 0.00 -0.44 0.00 0.00 62.40 61.77 1s6o h SER 19 CO 0.00 0.43 -0.56 0.74 -0.53 0.00 0.00 176.83 176.91 1s6o h THR 20 N 0.87 0.00 -0.24 2.23 2.02 -1.98 0.12 112.91 115.92 1s6o h THR 20 Ca 0.43 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.64 1s6o h THR 20 Cb 0.39 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 1s6o h THR 20 CO -0.25 0.00 0.07 0.40 0.37 0.00 0.00 175.52 176.11 1s6o h ILE 21 N -0.35 0.92 0.54 3.11 5.03 -0.08 0.49 117.51 127.17 1s6o h ILE 21 Ca 0.08 -0.06 -0.02 0.00 -0.12 0.00 0.00 64.86 64.74 1s6o h ILE 21 Cb 0.57 0.73 -0.01 0.00 -3.03 0.00 0.00 36.82 35.08 1s6o h ILE 21 CO -0.63 0.03 -0.38 -0.33 -0.68 0.00 0.00 178.15 176.16 1s6o h GLU 22 N 0.17 -0.84 -0.43 2.37 5.08 -0.02 0.24 114.58 121.16 1s6o h GLU 22 Ca 0.11 0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.60 1s6o h GLU 22 Cb 0.09 0.19 -0.09 0.00 0.50 0.00 0.00 28.75 29.44 1s6o h GLU 22 CO -0.12 -0.56 -0.40 0.78 -1.00 0.00 0.00 179.01 177.71 1s6o h GLY 23 N -0.87 -0.45 0.92 -3.84 0.00 -0.81 0.89 103.07 98.92 1s6o h GLY 23 Ca -0.07 0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.77 1s6o h GLY 23 CO 0.04 -0.19 -0.02 1.70 0.00 0.00 0.00 176.54 178.07 1s6o h LYS 24 N -0.29 -0.04 -0.50 4.80 3.64 -0.65 -2.24 116.57 121.28 1s6o h LYS 24 Ca 0.16 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.58 1s6o h LYS 24 Cb 0.57 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.37 1s6o h LYS 24 CO -0.58 0.05 0.33 0.82 -2.27 0.00 0.00 179.45 177.80 1s6o h ILE 25 N -0.12 1.02 0.00 2.00 1.08 -0.33 0.08 117.51 121.23 1s6o h ILE 25 Ca -0.00 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.29 1s6o h ILE 25 Cb 0.11 0.47 0.00 0.00 -3.07 0.00 0.00 36.82 34.33 1s6o h ILE 25 CO 0.01 0.09 0.28 1.23 -0.69 0.00 0.00 178.15 179.07 1s6o h GLY 26 N 0.50 0.00 1.31 5.37 0.00 -0.18 0.10 103.07 110.17 1s6o h GLY 26 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1s6o h GLY 26 CO -0.05 0.00 -0.62 0.50 0.00 0.00 0.00 176.54 176.36 1s6o h LYS 27 N 0.00 0.00 -6.87 4.80 1.79 -0.98 -3.48 116.57 111.83 1s6o h LYS 27 Ca 0.00 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.97 1s6o h LYS 27 Cb 0.56 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.24 1s6o h LYS 27 CO 0.00 0.00 0.49 -0.51 -1.08 0.00 0.00 179.45 178.35 1s6o s LEU 28 N -5.12 4.40 -0.04 2.94 2.01 0.35 -4.95 118.68 118.26 1s6o s LEU 28 Ca 0.04 2.30 -0.30 0.00 0.01 0.00 0.00 54.13 56.18 1s6o s LEU 28 Cb 0.10 -3.80 -0.09 0.00 0.01 0.00 0.00 46.19 42.42 1s6o s LEU 28 CO 0.73 -0.36 2.03 0.00 1.01 0.00 0.00 176.35 179.76 1s6o n GLN 29 N 0.71 2.55 0.00 1.70 10.64 -1.26 -2.55 117.38 129.17 1s6o n GLN 29 Ca 0.01 0.89 0.00 0.00 -1.83 0.00 0.00 57.00 56.07 1s6o n GLN 29 Cb 0.45 -3.01 0.00 0.00 -0.86 0.00 0.00 30.24 26.83 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 4.86 2.01 3.77 2.61 0.00 -1.26 -4.19 105.19 112.99 1s6o n GLY 30 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.04 4.04 -0.15 1.61 1.01 -1.06 -3.45 120.40 120.36 1s6o s VAL 31 Ca 0.00 1.84 -0.04 0.00 0.00 0.00 0.00 61.98 63.78 1s6o s VAL 31 Cb 0.00 -4.09 -0.08 0.00 0.00 0.00 0.00 36.38 32.21 1s6o s VAL 31 CO 0.00 0.28 -0.17 0.00 0.00 0.00 0.00 175.10 175.21 1s6o n GLN 32 N 0.90 0.34 -3.72 2.72 1.13 0.38 -4.91 117.38 114.23 1s6o n GLN 32 Ca 0.00 0.12 -0.10 0.00 -1.94 0.00 0.00 57.00 55.09 1s6o n GLN 32 Cb 0.48 -1.15 -0.04 0.00 0.11 0.00 0.00 30.24 29.64 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 -2.29 1.23 -0.08 -1.09 3.52 -1.13 -4.99 118.95 114.13 1s6o s ARG 33 Ca -0.21 -0.83 -0.07 0.00 -0.13 0.00 0.00 55.73 54.49 1s6o s ARG 33 Cb 0.07 0.49 0.03 0.00 -1.56 0.00 0.00 34.95 33.97 1s6o s ARG 33 CO 0.30 -0.50 0.22 -1.50 -0.81 0.00 0.00 175.30 173.01 1s6o s ILE 34 N -3.86 -0.01 -0.13 4.11 2.07 -1.26 -0.40 121.20 121.73 1s6o s ILE 34 Ca 0.07 0.03 -0.01 0.00 -1.41 0.00 0.00 60.65 59.34 1s6o s ILE 34 Cb 0.01 -0.32 0.03 0.00 0.13 0.00 0.00 42.46 42.31 1s6o s ILE 34 CO -0.06 0.01 -0.05 -0.54 -1.91 0.00 0.00 174.94 172.39 1s6o s LYS 35 N 0.34 1.31 -0.24 3.50 -0.14 0.04 -4.97 119.74 119.58 1s6o s LYS 35 Ca -0.02 -0.30 -0.00 0.00 -1.36 0.00 0.00 55.97 54.29 1s6o s LYS 35 Cb -0.03 -1.66 0.03 0.00 -1.68 0.00 0.00 37.83 34.49 1s6o s LYS 35 CO -0.01 -0.35 -0.10 0.08 -0.76 0.00 0.00 175.35 174.21 1s6o s VAL 36 N 1.73 2.55 -0.51 3.17 1.01 -1.26 -0.25 120.40 126.84 1s6o s VAL 36 Ca 0.03 -1.15 -0.22 0.00 0.00 0.00 0.00 61.98 60.65 1s6o s VAL 36 Cb -0.14 -2.30 0.04 0.00 0.00 0.00 0.00 36.38 33.99 1s6o s VAL 36 CO -0.08 0.21 0.77 -0.55 0.00 0.00 0.00 175.10 175.46 1s6o s SER 37 N 1.27 6.30 0.21 3.32 0.15 0.07 -4.89 113.70 120.12 1s6o s SER 37 Ca -0.01 -0.55 -0.11 0.00 0.70 0.00 0.00 55.95 55.98 1s6o s SER 37 Cb -0.17 -2.36 0.29 0.00 -1.71 0.00 0.00 66.02 62.08 1s6o s SER 37 CO -0.06 -1.02 1.65 0.25 1.20 0.00 0.00 173.24 175.26 1s6o h LEU 38 N 10.25 -0.34 0.61 3.45 7.12 -1.96 0.17 115.31 134.61 1s6o h LEU 38 Ca -0.26 0.16 -0.02 0.00 0.13 0.00 0.00 57.88 57.89 1s6o h LEU 38 Cb 1.09 0.30 -0.01 0.00 -0.53 0.00 0.00 40.66 41.50 1s6o h LEU 38 CO 1.01 -0.14 -0.49 0.44 -0.13 0.00 0.00 178.44 179.13 1s6o h ASP 39 N 0.09 -1.29 1.36 1.25 5.19 -1.93 -2.94 116.42 118.15 1s6o h ASP 39 Ca 0.32 0.09 -0.02 0.00 -0.62 0.00 0.00 57.03 56.80 1s6o h ASP 39 Cb 0.53 0.41 -0.00 0.00 0.18 0.00 0.00 39.33 40.44 1s6o h ASP 39 CO -0.56 -0.69 -0.10 -1.13 -3.12 0.00 0.00 179.24 173.64 1s6o h ASN 40 N -1.07 0.00 -0.84 6.45 -0.73 -1.94 -3.46 115.58 113.99 1s6o h ASN 40 Ca -0.08 0.00 -0.36 0.00 1.87 0.00 0.00 56.30 57.73 1s6o h ASN 40 Cb 0.90 0.00 -0.14 0.00 0.27 0.00 0.00 38.32 39.34 1s6o h ASN 40 CO 0.00 0.10 -0.33 0.00 -0.37 0.00 0.00 177.43 176.84 1s6o n GLN 41 N -3.18 -1.28 -4.43 6.67 6.02 0.58 -4.98 117.38 116.79 1s6o n GLN 41 Ca 0.02 1.12 -0.25 0.00 -0.01 0.00 0.00 57.00 57.88 1s6o n GLN 41 Cb 0.45 -5.40 -0.11 0.00 1.02 0.00 0.00 30.24 26.20 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 -3.50 1.54 0.03 -1.09 2.12 -1.20 -0.54 118.70 116.07 1s6o s GLU 42 Ca 0.00 -1.59 -0.01 0.00 0.36 0.00 0.00 54.97 53.73 1s6o s GLU 42 Cb 0.00 -1.77 -0.03 0.00 0.26 0.00 0.00 34.13 32.60 1s6o s GLU 42 CO 0.00 0.37 -0.01 0.00 -0.54 0.00 0.00 175.26 175.07 1s6o s ALA 43 N -1.96 0.24 -0.22 6.30 0.00 0.76 -0.75 121.76 126.13 1s6o s ALA 43 Ca 0.23 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.38 1s6o s ALA 43 Cb -0.07 0.21 0.05 0.00 0.00 0.00 0.00 23.12 23.31 1s6o s ALA 43 CO 0.11 -0.26 -0.06 0.99 0.00 0.00 0.00 175.76 176.54 1s6o s THR 44 N -2.53 1.52 0.28 0.00 2.01 0.65 -0.69 115.64 116.88 1s6o s THR 44 Ca -0.06 -1.12 0.04 0.00 0.31 0.00 0.00 61.69 60.87 1s6o s THR 44 Cb -0.02 -1.73 -0.03 0.00 0.01 0.00 0.00 72.50 70.73 1s6o s THR 44 CO -0.05 -0.02 0.41 -0.63 -0.69 0.00 0.00 174.62 173.65 1s6o s ILE 45 N 1.42 5.00 -0.14 1.82 1.01 0.41 -0.78 121.20 129.94 1s6o s ILE 45 Ca -0.04 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.71 1s6o s ILE 45 Cb -0.18 -3.77 0.02 0.00 0.01 0.00 0.00 42.46 38.54 1s6o s ILE 45 CO -0.07 -0.33 -0.15 0.54 0.00 0.00 0.00 174.94 174.93 1s6o s VAL 46 N -2.08 1.58 0.35 2.92 0.11 0.47 -0.22 120.40 123.53 1s6o s VAL 46 Ca 0.37 -0.65 -0.14 0.00 -2.93 0.00 0.00 61.98 58.63 1s6o s VAL 46 Cb -0.09 -1.47 0.03 0.00 -1.53 0.00 0.00 36.38 33.32 1s6o s VAL 46 CO 0.31 0.46 0.69 -0.72 -3.33 0.00 0.00 175.10 172.51 1s6o s TYR 47 N 1.37 0.26 0.06 1.54 -0.85 0.00 -0.47 117.35 119.26 1s6o s TYR 47 Ca 0.02 -0.79 0.03 0.00 -0.52 0.00 0.00 57.07 55.82 1s6o s TYR 47 Cb -0.13 0.59 -0.03 0.00 0.38 0.00 0.00 41.96 42.77 1s6o s TYR 47 CO -0.09 -1.38 -0.10 1.14 -1.52 0.00 0.00 175.55 173.60 1s6o s GLN 48 N -2.88 0.65 -0.82 -3.49 -2.07 -1.22 -0.31 119.66 109.51 1s6o s GLN 48 Ca 0.18 -0.86 -0.23 0.00 -1.82 0.00 0.00 55.36 52.64 1s6o s GLN 48 Cb -0.04 -0.48 -0.16 0.00 -1.09 0.00 0.00 33.01 31.24 1s6o s GLN 48 CO 0.12 0.09 1.91 -0.35 -1.32 0.00 0.00 175.29 175.74 1s6o n PRO 49 N 1.32 1.43 0.17 9.60 -0.04 -1.26 -3.64 135.00 142.57 1s6o n PRO 49 Ca -0.22 -1.93 0.00 0.00 -0.04 0.00 0.00 63.50 61.31 1s6o n PRO 49 Cb 0.55 -3.08 0.00 0.00 -0.04 0.00 0.00 33.50 30.93 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 9.18 -3.03 0.11 0.54 -0.00 -1.26 -4.90 115.22 115.86 1s6o n HIS 50 Ca 0.48 0.69 0.09 0.00 -0.00 0.00 0.00 57.72 58.98 1s6o n HIS 50 Cb 0.42 1.25 0.01 0.00 -0.00 0.00 0.00 29.99 31.66 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 -1.87 -3.46 115.31 104.80 1s6o h LEU 51 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 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 0.13 -0.87 -0.51 0.09 0.00 0.00 178.44 177.29 1s6o s ILE 52 N -3.24 2.14 -0.35 1.22 1.10 -1.25 -4.73 121.20 116.08 1s6o s ILE 52 Ca 0.00 -1.64 0.01 0.00 -0.51 0.00 0.00 60.65 58.52 1s6o s ILE 52 Cb 0.09 -1.89 0.12 0.00 0.15 0.00 0.00 42.46 40.93 1s6o s ILE 52 CO 0.78 0.13 1.00 -1.20 -2.11 0.00 0.00 174.94 173.54 1s6o n SER 53 N 1.14 2.67 0.00 4.50 7.64 -1.26 -4.44 113.62 123.87 1s6o n SER 53 Ca -0.18 -2.23 0.00 0.00 1.01 0.00 0.00 58.87 57.47 1s6o n SER 53 Cb 0.53 -0.55 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 0.18 0.00 -0.08 0.44 3.14 -1.26 -3.86 118.33 116.90 1s6o n VAL 54 Ca 0.08 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.33 1s6o n VAL 54 Cb 0.60 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.33 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 0.64 -0.73 1.45 4.57 -2.02 -3.31 114.58 115.18 1s6o h GLU 55 Ca 0.00 -0.35 0.14 0.00 -1.18 0.00 0.00 59.36 57.97 1s6o h GLU 55 Cb 0.00 0.02 -0.14 0.00 -0.16 0.00 0.00 28.75 28.47 1s6o h GLU 55 CO 0.00 0.96 -0.25 0.93 -1.18 0.00 0.00 179.01 179.47 1s6o h GLU 56 N 0.35 -0.05 -0.81 1.92 5.08 -1.94 0.91 114.58 120.05 1s6o h GLU 56 Ca 0.04 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.54 1s6o h GLU 56 Cb 0.86 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 29.98 1s6o h GLU 56 CO 0.07 -0.03 -0.31 1.98 -1.00 0.00 0.00 179.01 179.72 1s6o h MET 57 N -0.05 -0.05 -0.19 2.33 4.05 -1.91 0.20 114.93 119.30 1s6o h MET 57 Ca 0.32 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.70 1s6o h MET 57 Cb 0.56 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.37 1s6o h MET 57 CO -0.77 -0.04 -0.05 -0.22 0.23 0.00 0.00 176.91 176.06 1s6o h LYS 58 N -0.06 0.38 -0.04 0.39 1.63 -1.07 -3.13 116.57 114.68 1s6o h LYS 58 Ca 0.33 -0.15 0.01 0.00 -0.85 0.00 0.00 60.65 59.99 1s6o h LYS 58 Cb 0.59 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.20 1s6o h LYS 58 CO -0.84 0.64 0.03 0.87 -3.45 0.00 0.00 179.45 176.69 1s6o h LYS 59 N 0.09 0.00 -0.36 1.90 1.79 0.53 0.10 116.57 120.62 1s6o h LYS 59 Ca 0.05 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.51 1s6o h LYS 59 Cb 0.50 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 1s6o h LYS 59 CO 0.02 0.00 0.21 1.96 -1.08 0.00 0.00 179.45 180.56 1s6o h GLN 60 N 0.00 0.50 -0.14 3.15 1.08 -0.66 0.43 115.11 119.46 1s6o h GLN 60 Ca 0.02 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1s6o h GLN 60 Cb 0.07 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 1s6o h GLN 60 CO -0.00 0.40 0.07 0.82 -0.95 0.00 0.00 178.83 179.17 1s6o h ILE 61 N 0.46 1.11 -0.38 2.54 5.03 -0.91 -2.31 117.51 123.04 1s6o h ILE 61 Ca 0.13 -0.30 0.08 0.00 -0.12 0.00 0.00 64.86 64.65 1s6o h ILE 61 Cb 0.04 1.05 -0.08 0.00 -3.03 0.00 0.00 36.82 34.80 1s6o h ILE 61 CO -0.02 0.10 -0.15 -0.33 -0.68 0.00 0.00 178.15 177.07 1s6o h GLU 62 N 0.12 -0.07 0.00 2.37 5.08 -0.56 -0.65 114.58 120.87 1s6o h GLU 62 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1s6o h GLU 62 Cb 0.09 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1s6o h GLU 62 CO -0.01 -0.04 0.02 0.00 -1.00 0.00 0.00 179.01 177.98 1s6o h ALA 63 N 1.26 1.02 -0.40 3.43 0.00 -0.78 0.40 119.26 124.19 1s6o h ALA 63 Ca 0.19 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.16 1s6o h ALA 63 Cb 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1s6o h ALA 63 CO -0.43 -0.02 0.27 0.52 0.00 0.00 0.00 179.25 179.59 1s6o h MET 64 N 0.00 0.25 0.00 0.00 2.86 -0.53 -3.45 114.93 114.06 1s6o h MET 64 Ca 0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1s6o h MET 64 Cb 0.03 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1s6o h MET 64 CO 0.00 0.17 0.00 0.41 1.06 0.00 0.00 176.91 178.55 1s6o n GLY 65 N -1.54 0.79 2.93 8.32 0.00 0.05 -5.14 105.19 110.60 1s6o n GLY 65 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.07 -0.29 -0.79 1.61 0.08 -0.71 -5.00 117.98 111.82 1s6o s PHE 66 Ca 0.00 0.77 -0.25 0.00 0.12 0.00 0.00 56.93 57.57 1s6o s PHE 66 Cb 0.00 -0.13 -0.03 0.00 -0.57 0.00 0.00 43.02 42.29 1s6o s PHE 66 CO 0.00 -0.30 1.86 -1.25 -0.10 0.00 0.00 175.22 175.43 1s6o s PRO 67 N 2.18 2.67 0.14 0.24 0.04 -1.23 -4.26 135.00 134.78 1s6o s PRO 67 Ca 0.00 0.02 0.02 0.00 0.04 0.00 0.00 61.00 61.08 1s6o s PRO 67 Cb -0.12 -4.78 0.02 0.00 0.04 0.00 0.00 34.50 29.66 1s6o s PRO 67 CO -0.07 -3.01 0.13 0.00 0.04 0.00 0.00 177.00 174.09 1s6o n ALA 68 N 13.02 0.24 -3.64 8.56 0.00 -1.26 -4.11 120.51 133.32 1s6o n ALA 68 Ca 0.30 -0.55 -0.05 0.00 0.00 0.00 0.00 53.44 53.14 1s6o n ALA 68 Cb 0.49 0.21 -0.07 0.00 0.00 0.00 0.00 19.45 20.08 1s6o n ALA 68 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1s6o s PHE 69 N -0.46 -0.69 0.20 0.00 0.08 -0.75 -4.95 117.98 111.41 1s6o s PHE 69 Ca 0.10 1.44 -0.26 0.00 0.12 0.00 0.00 56.93 58.33 1s6o s PHE 69 Cb -0.01 0.42 -0.08 0.00 -0.57 0.00 0.00 43.02 42.78 1s6o s PHE 69 CO 0.06 -0.34 0.82 0.54 -0.10 0.00 0.00 175.22 176.20 1s6o s VAL 70 N 1.16 4.31 0.00 -0.44 0.11 -1.26 -0.10 120.40 124.18 1s6o s VAL 70 Ca -0.07 1.76 0.00 0.00 -2.93 0.00 0.00 61.98 60.75 1s6o s VAL 70 Cb -0.04 -4.15 0.00 0.00 -1.53 0.00 0.00 36.38 30.66 1s6o s VAL 70 CO -0.14 0.47 0.00 0.29 -3.33 0.00 0.00 175.10 172.40 1s6o n LYS 71 N 1.44 0.00 -1.84 1.54 5.02 -0.79 -4.91 118.16 118.62 1s6o n LYS 71 Ca -0.04 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.94 1s6o n LYS 71 Cb 0.49 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.53 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 2.21 3.05 -0.42 1.97 1.02 -1.26 -4.99 119.74 121.31 1s6o s LYS 72 Ca 0.00 0.59 0.10 0.00 0.02 0.00 0.00 55.97 56.69 1s6o s LYS 72 Cb 0.00 -2.03 0.39 0.00 -0.52 0.00 0.00 37.83 35.67 1s6o s LYS 72 CO 0.00 -0.93 0.93 0.44 -0.92 0.00 0.00 175.35 174.87 1s6o n ILE 73 N -2.96 1.50 -3.80 2.17 -5.35 -1.26 -4.04 119.36 105.62 1s6o n ILE 73 Ca 0.07 -4.48 -0.09 0.00 -0.27 0.00 0.00 62.75 57.98 1s6o n ILE 73 Cb 0.56 -0.51 -0.03 0.00 -1.74 0.00 0.00 39.64 37.92 1s6o n ILE 73 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1s6o s GLU 74 N -3.13 1.58 0.00 6.28 2.02 -1.25 -5.02 118.70 119.19 1s6o s GLU 74 Ca 0.40 -0.94 0.00 0.00 0.02 0.00 0.00 54.97 54.46 1s6o s GLU 74 Cb 0.38 0.56 0.00 0.00 0.10 0.00 0.00 34.13 35.17 1s6o s GLU 74 CO -0.09 -0.70 0.00 0.41 0.02 0.00 0.00 175.26 174.90 1s6o n GLY 75 N -0.41 0.26 0.00 -1.39 0.00 -1.25 -4.31 105.19 98.10 1s6o n GLY 75 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1s6o n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86