#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 0.00 -4.24 1.61 4.71 -1.26 -4.77 120.64 116.70 1s6o n GLU 2 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.16 56.84 1s6o n GLU 2 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 31.44 30.34 1s6o n GLU 2 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1s6o s VAL 3 N 0.00 4.05 0.12 2.62 0.11 0.37 -4.72 120.40 122.95 1s6o s VAL 3 Ca 0.00 -0.78 -0.30 0.00 -2.93 0.00 0.00 61.98 57.97 1s6o s VAL 3 Cb 0.00 -2.85 -0.06 0.00 -1.53 0.00 0.00 36.38 31.94 1s6o s VAL 3 CO 0.00 0.27 1.01 -0.69 -3.33 0.00 0.00 175.10 172.36 1s6o s VAL 4 N -1.17 4.33 -0.07 2.04 1.01 -1.26 -1.41 120.40 123.87 1s6o s VAL 4 Ca 0.22 1.93 0.02 0.00 0.00 0.00 0.00 61.98 64.15 1s6o s VAL 4 Cb -0.12 -4.23 0.02 0.00 0.00 0.00 0.00 36.38 32.05 1s6o s VAL 4 CO 0.13 0.29 -0.11 -0.22 0.00 0.00 0.00 175.10 175.20 1s6o s LEU 5 N -0.01 1.57 -0.14 3.92 1.98 -0.01 -4.84 118.68 121.15 1s6o s LEU 5 Ca 0.48 -0.28 -0.14 0.00 -2.89 0.00 0.00 54.13 51.30 1s6o s LEU 5 Cb -0.25 -0.78 -0.05 0.00 0.66 0.00 0.00 46.19 45.77 1s6o s LEU 5 CO 0.31 0.01 0.33 -0.54 -1.89 0.00 0.00 176.35 174.57 1s6o s LYS 6 N 0.78 4.23 0.04 1.98 1.02 -1.26 -1.34 119.74 125.19 1s6o s LYS 6 Ca -0.13 0.17 0.04 0.00 0.02 0.00 0.00 55.97 56.08 1s6o s LYS 6 Cb -0.15 -3.41 -0.02 0.00 -0.52 0.00 0.00 37.83 33.72 1s6o s LYS 6 CO 0.02 0.26 -0.13 0.00 -0.92 0.00 0.00 175.35 174.59 1s6o s MET 7 N 0.37 0.84 0.39 1.68 0.23 0.03 -3.22 119.30 119.63 1s6o s MET 7 Ca 0.18 -0.76 -0.17 0.00 -1.03 0.00 0.00 55.69 53.92 1s6o s MET 7 Cb -0.13 -0.82 -0.10 0.00 -1.53 0.00 0.00 34.83 32.25 1s6o s MET 7 CO 0.05 0.20 0.85 0.15 -2.03 0.00 0.00 175.02 174.24 1s6o s LYS 8 N -1.22 4.08 -0.46 3.16 -0.14 0.21 -0.60 119.74 124.77 1s6o s LYS 8 Ca -0.00 0.88 0.08 0.00 -1.36 0.00 0.00 55.97 55.57 1s6o s LYS 8 Cb -0.08 -2.29 0.29 0.00 -1.68 0.00 0.00 37.83 34.06 1s6o s LYS 8 CO 0.01 0.03 0.67 0.28 -0.76 0.00 0.00 175.35 175.58 1s6o n VAL 9 N -0.65 0.51 -0.95 3.17 0.31 -0.68 -2.46 118.33 117.58 1s6o n VAL 9 Ca 0.05 -4.59 -0.32 0.00 -0.01 0.00 0.00 64.34 59.47 1s6o n VAL 9 Cb 0.54 -1.47 0.14 0.00 -0.91 0.00 0.00 33.84 32.13 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 -2.05 1.48 0.00 5.55 0.41 -1.18 -3.97 118.70 118.94 1s6o s GLU 10 Ca 0.39 1.53 0.00 0.00 -0.41 0.00 0.00 54.97 56.48 1s6o s GLU 10 Cb 0.23 -1.78 0.00 0.00 -1.78 0.00 0.00 34.13 30.80 1s6o s GLU 10 CO -0.09 -2.29 0.00 0.41 -0.49 0.00 0.00 175.26 172.81 1s6o n GLY 11 N -0.01 2.70 3.72 -1.39 0.00 -1.26 -4.23 105.19 104.72 1s6o n GLY 11 Ca 0.12 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 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 4.36 0.00 1.61 -1.94 -1.25 -4.87 119.30 117.21 1s6o s MET 12 Ca 0.00 2.00 0.00 0.00 -1.71 0.00 0.00 55.69 55.98 1s6o s MET 12 Cb 0.00 -3.25 0.00 0.00 2.01 0.00 0.00 34.83 33.59 1s6o s MET 12 CO 0.00 -0.35 0.00 -2.37 -0.01 0.00 0.00 175.02 172.29 1s6o n THR 13 N 3.60 0.00 -3.42 2.05 5.66 -1.26 -4.95 114.28 115.96 1s6o n THR 13 Ca 0.10 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.72 1s6o n THR 13 Cb 0.43 -0.30 -0.06 0.00 -1.55 0.00 0.00 70.33 68.85 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 1.59 1.96 0.00 0.00 -0.00 -1.26 -4.41 115.22 113.10 1s6o n HIS 15 Ca -0.11 -0.08 0.00 0.00 0.46 0.00 0.00 57.72 57.99 1s6o n HIS 15 Cb 0.52 -2.70 0.00 0.00 -0.12 0.00 0.00 29.99 27.69 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 10.89 0.00 -4.58 0.26 7.64 -1.26 -5.06 113.62 121.52 1s6o n SER 16 Ca 0.31 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.87 1s6o n SER 16 Cb 0.40 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.56 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 7.49 0.00 -0.37 0.00 -2.24 -1.26 -4.79 114.28 113.11 1s6o n THR 18 Ca 0.45 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 62.28 1s6o n THR 18 Cb 0.47 -0.18 0.21 0.00 -2.10 0.00 0.00 70.33 68.73 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 0.98 -0.13 3.42 0.87 -1.96 0.42 113.55 117.15 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 -0.17 -0.07 0.00 -0.44 0.00 0.00 62.40 61.73 1s6o h SER 19 CO 0.00 0.56 -0.48 0.74 -0.53 0.00 0.00 176.83 177.12 1s6o h THR 20 N 1.07 0.07 -0.00 2.23 2.02 -1.92 0.25 112.91 116.63 1s6o h THR 20 Ca 0.47 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.68 1s6o h THR 20 Cb 0.36 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 1s6o h THR 20 CO -0.23 0.00 -0.16 0.40 0.37 0.00 0.00 175.52 175.90 1s6o h ILE 21 N -0.54 0.61 0.68 3.11 5.03 -0.65 -0.04 117.51 125.72 1s6o h ILE 21 Ca 0.06 0.00 -0.03 0.00 -0.12 0.00 0.00 64.86 64.76 1s6o h ILE 21 Cb 0.66 0.61 0.00 0.00 -3.03 0.00 0.00 36.82 35.06 1s6o h ILE 21 CO -0.42 0.00 -0.38 -0.33 -0.68 0.00 0.00 178.15 176.34 1s6o h GLU 22 N -0.26 -0.95 -0.60 2.37 5.08 -0.17 0.12 114.58 120.18 1s6o h GLU 22 Ca 0.05 0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.57 1s6o h GLU 22 Cb 0.33 0.21 -0.11 0.00 0.50 0.00 0.00 28.75 29.68 1s6o h GLU 22 CO -0.15 -0.63 -0.39 0.78 -1.00 0.00 0.00 179.01 177.62 1s6o h GLY 23 N -0.98 -0.28 0.98 -3.84 0.00 -0.57 0.29 103.07 98.66 1s6o h GLY 23 Ca -0.09 0.50 -0.02 0.00 0.00 0.00 0.00 47.33 47.72 1s6o h GLY 23 CO 0.12 -0.18 -0.19 1.70 0.00 0.00 0.00 176.54 177.99 1s6o h LYS 24 N -0.19 -0.52 -0.68 4.80 3.64 -0.78 -2.49 116.57 120.36 1s6o h LYS 24 Ca 0.21 0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.75 1s6o h LYS 24 Cb 0.56 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.45 1s6o h LYS 24 CO -0.70 -0.33 0.46 0.82 -2.27 0.00 0.00 179.45 177.43 1s6o h ILE 25 N -0.57 0.84 -0.26 2.00 1.08 -0.41 -0.25 117.51 119.93 1s6o h ILE 25 Ca -0.05 -0.14 0.08 0.00 -0.39 0.00 0.00 64.86 64.36 1s6o h ILE 25 Cb 0.43 0.41 -0.01 0.00 -3.07 0.00 0.00 36.82 34.57 1s6o h ILE 25 CO 0.09 0.07 0.48 1.23 -0.69 0.00 0.00 178.15 179.33 1s6o h GLY 26 N 0.40 0.00 1.02 5.37 0.00 0.06 0.11 103.07 110.03 1s6o h GLY 26 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1s6o h GLY 26 CO -0.09 0.00 -0.61 0.28 0.00 0.00 0.00 176.54 176.11 1s6o n LYS 27 N -3.29 0.16 -2.17 4.80 5.02 -0.11 -4.86 118.16 117.71 1s6o n LYS 27 Ca 0.04 0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.95 1s6o n LYS 27 Cb 0.60 -1.59 -0.03 0.00 -0.02 0.00 0.00 35.03 34.00 1s6o n LYS 27 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1s6o s LEU 28 N -3.62 4.42 -0.39 -0.35 2.01 0.36 -4.88 118.68 116.24 1s6o s LEU 28 Ca 0.08 2.49 -0.29 0.00 0.01 0.00 0.00 54.13 56.41 1s6o s LEU 28 Cb 0.15 -3.62 -0.08 0.00 0.01 0.00 0.00 46.19 42.65 1s6o s LEU 28 CO 0.72 -0.55 2.31 0.00 1.01 0.00 0.00 176.35 179.84 1s6o n GLN 29 N 2.31 1.32 0.00 1.70 10.64 -1.26 -1.10 117.38 130.99 1s6o n GLN 29 Ca 0.05 0.26 0.00 0.00 -1.83 0.00 0.00 57.00 55.49 1s6o n GLN 29 Cb 0.42 -3.02 0.00 0.00 -0.86 0.00 0.00 30.24 26.79 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 6.08 1.07 3.72 2.61 0.00 -1.26 -3.76 105.19 113.66 1s6o n GLY 30 Ca 0.37 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.26 4.58 -0.11 1.61 1.01 -0.26 -3.49 120.40 122.47 1s6o s VAL 31 Ca 0.00 1.97 0.09 0.00 0.00 0.00 0.00 61.98 64.03 1s6o s VAL 31 Cb 0.00 -4.26 -0.13 0.00 0.00 0.00 0.00 36.38 31.99 1s6o s VAL 31 CO 0.00 0.22 0.02 0.00 0.00 0.00 0.00 175.10 175.34 1s6o n GLN 32 N 3.40 2.01 -3.86 2.72 1.13 -0.07 -4.81 117.38 117.90 1s6o n GLN 32 Ca 0.05 0.00 -0.07 0.00 -1.94 0.00 0.00 57.00 55.04 1s6o n GLN 32 Cb 0.49 -1.28 -0.02 0.00 0.11 0.00 0.00 30.24 29.54 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 -2.27 1.80 -0.07 -1.09 3.52 -1.09 -5.01 118.95 114.75 1s6o s ARG 33 Ca -0.07 -1.01 -0.18 0.00 -0.13 0.00 0.00 55.73 54.34 1s6o s ARG 33 Cb 0.03 0.61 0.04 0.00 -1.56 0.00 0.00 34.95 34.07 1s6o s ARG 33 CO 0.44 -0.83 0.43 -1.50 -0.81 0.00 0.00 175.30 173.03 1s6o s ILE 34 N -3.87 0.03 -0.22 4.11 2.07 -1.26 -0.59 121.20 121.47 1s6o s ILE 34 Ca 0.11 -0.24 -0.03 0.00 -1.41 0.00 0.00 60.65 59.08 1s6o s ILE 34 Cb -0.06 -0.70 0.07 0.00 0.13 0.00 0.00 42.46 41.90 1s6o s ILE 34 CO 0.07 -0.13 0.08 -0.54 -1.91 0.00 0.00 174.94 172.51 1s6o s LYS 35 N -0.86 0.39 -0.38 3.50 3.01 0.58 -4.99 119.74 120.99 1s6o s LYS 35 Ca -0.09 -0.42 -0.19 0.00 -1.01 0.00 0.00 55.97 54.26 1s6o s LYS 35 Cb -0.04 -1.82 0.01 0.00 -1.01 0.00 0.00 37.83 34.97 1s6o s LYS 35 CO 0.04 -0.77 0.55 0.08 0.51 0.00 0.00 175.35 175.76 1s6o s VAL 36 N 1.96 4.97 -1.09 3.17 1.01 -1.26 -0.36 120.40 128.80 1s6o s VAL 36 Ca 0.03 0.24 -0.06 0.00 0.00 0.00 0.00 61.98 62.20 1s6o s VAL 36 Cb -0.17 -4.04 0.30 0.00 0.00 0.00 0.00 36.38 32.48 1s6o s VAL 36 CO -0.16 -0.33 1.38 -0.24 0.00 0.00 0.00 175.10 175.74 1s6o n SER 37 N 5.87 6.15 -0.23 3.32 2.88 -0.76 -4.87 113.62 125.98 1s6o n SER 37 Ca -0.04 -3.30 -0.00 0.00 -1.33 0.00 0.00 58.87 54.20 1s6o n SER 37 Cb 0.48 -1.31 0.07 0.00 -0.75 0.00 0.00 64.21 62.70 1s6o n SER 37 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1s6o h LEU 38 N 5.84 -0.68 -0.99 2.46 6.46 -1.94 0.30 115.31 126.75 1s6o h LEU 38 Ca 0.20 0.21 0.15 0.00 -0.12 0.00 0.00 57.88 58.32 1s6o h LEU 38 Cb 0.69 0.44 -0.16 0.00 -0.73 0.00 0.00 40.66 40.90 1s6o h LEU 38 CO 1.24 -0.23 -0.38 0.47 -0.62 0.00 0.00 178.44 178.92 1s6o n ASP 39 N -5.46 -0.63 0.14 1.25 9.92 -1.26 -0.35 116.55 120.16 1s6o n ASP 39 Ca 0.08 1.73 0.13 0.00 -0.53 0.00 0.00 54.79 56.20 1s6o n ASP 39 Cb 0.35 -0.40 0.38 0.00 -0.64 0.00 0.00 41.12 40.81 1s6o n ASP 39 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 1s6o h ASN 40 N 0.00 0.00 0.00 -2.24 -0.00 -0.92 -3.46 115.58 108.96 1s6o h ASN 40 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.65 1s6o h ASN 40 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.92 1s6o h ASN 40 CO -0.99 0.00 0.00 0.00 -0.00 0.00 0.00 177.43 176.44 1s6o n GLN 41 N -2.48 -0.83 -4.70 6.67 6.02 0.53 -4.97 117.38 117.61 1s6o n GLN 41 Ca 0.05 0.21 -0.26 0.00 -0.01 0.00 0.00 57.00 56.99 1s6o n GLN 41 Cb 0.42 -3.90 -0.14 0.00 1.02 0.00 0.00 30.24 27.63 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 -0.90 1.42 0.15 -1.09 2.12 -1.17 -1.68 118.70 117.55 1s6o s GLU 42 Ca 0.00 -0.89 0.06 0.00 0.36 0.00 0.00 54.97 54.50 1s6o s GLU 42 Cb 0.00 -1.50 -0.04 0.00 0.26 0.00 0.00 34.13 32.85 1s6o s GLU 42 CO 0.00 0.39 -0.14 0.00 -0.54 0.00 0.00 175.26 174.97 1s6o s ALA 43 N -0.74 1.67 -0.27 6.30 0.00 0.23 -1.82 121.76 127.13 1s6o s ALA 43 Ca 0.07 -1.45 -0.01 0.00 0.00 0.00 0.00 51.96 50.58 1s6o s ALA 43 Cb -0.09 -0.06 0.08 0.00 0.00 0.00 0.00 23.12 23.05 1s6o s ALA 43 CO 0.01 0.06 0.05 0.99 0.00 0.00 0.00 175.76 176.87 1s6o s THR 44 N -2.59 1.02 0.16 0.00 2.01 0.52 -0.79 115.64 115.96 1s6o s THR 44 Ca 0.15 -1.21 -0.00 0.00 0.31 0.00 0.00 61.69 60.93 1s6o s THR 44 Cb -0.02 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.84 1s6o s THR 44 CO 0.04 -0.43 0.34 -0.63 -0.69 0.00 0.00 174.62 173.25 1s6o s ILE 45 N 1.58 5.25 -0.21 1.82 1.01 -0.45 -0.31 121.20 129.90 1s6o s ILE 45 Ca 0.04 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.30 1s6o s ILE 45 Cb -0.18 -3.71 0.03 0.00 0.01 0.00 0.00 42.46 38.61 1s6o s ILE 45 CO -0.16 -0.09 -0.14 0.54 0.00 0.00 0.00 174.94 175.10 1s6o s VAL 46 N -1.77 2.38 0.38 2.92 0.11 0.24 -0.83 120.40 123.84 1s6o s VAL 46 Ca 0.37 -1.04 -0.14 0.00 -2.93 0.00 0.00 61.98 58.24 1s6o s VAL 46 Cb -0.11 -2.13 0.05 0.00 -1.53 0.00 0.00 36.38 32.66 1s6o s VAL 46 CO 0.28 0.35 0.76 -0.72 -3.33 0.00 0.00 175.10 172.44 1s6o s TYR 47 N 1.28 0.22 0.01 1.54 -0.85 -0.50 -0.89 117.35 118.16 1s6o s TYR 47 Ca 0.02 -0.85 0.01 0.00 -0.52 0.00 0.00 57.07 55.72 1s6o s TYR 47 Cb -0.15 0.74 -0.01 0.00 0.38 0.00 0.00 41.96 42.92 1s6o s TYR 47 CO -0.09 -1.53 -0.04 -1.14 -1.52 0.00 0.00 175.55 171.24 1s6o s GLN 48 N -2.38 0.29 -0.94 -3.49 0.74 -1.23 -0.48 119.66 112.17 1s6o s GLN 48 Ca 0.17 -0.26 -0.23 0.00 0.05 0.00 0.00 55.36 55.09 1s6o s GLN 48 Cb -0.05 -0.21 -0.14 0.00 1.10 0.00 0.00 33.01 33.72 1s6o s GLN 48 CO 0.12 0.05 1.92 -0.35 -0.55 0.00 0.00 175.29 176.48 1s6o n PRO 49 N 2.62 1.45 0.07 1.67 -0.04 -1.26 -3.67 135.00 135.84 1s6o n PRO 49 Ca -0.15 -2.11 0.00 0.00 -0.04 0.00 0.00 63.50 61.20 1s6o n PRO 49 Cb 0.58 -3.31 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 11.16 -1.27 0.08 0.54 -0.00 -1.26 -4.89 115.22 119.57 1s6o n HIS 50 Ca 0.47 0.23 0.06 0.00 0.46 0.00 0.00 57.72 58.94 1s6o n HIS 50 Cb 0.44 0.59 -0.03 0.00 -0.12 0.00 0.00 29.99 30.86 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 -8.94 0.27 3.38 -1.82 -3.47 115.31 104.73 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 -0.21 0.00 0.09 0.00 0.00 40.66 40.54 1s6o h LEU 51 CO 0.00 0.27 -0.86 -0.51 0.09 0.00 0.00 178.44 177.43 1s6o s ILE 52 N -3.16 2.34 -0.19 1.22 1.10 -1.25 -4.74 121.20 116.52 1s6o s ILE 52 Ca -0.01 -1.74 0.02 0.00 -0.51 0.00 0.00 60.65 58.40 1s6o s ILE 52 Cb 0.09 -2.04 0.21 0.00 0.15 0.00 0.00 42.46 40.87 1s6o s ILE 52 CO 0.80 0.08 1.25 -1.20 -2.11 0.00 0.00 174.94 173.76 1s6o n SER 53 N 0.86 3.17 0.00 4.50 7.64 -1.26 -4.39 113.62 124.14 1s6o n SER 53 Ca -0.17 -2.49 0.00 0.00 1.01 0.00 0.00 58.87 57.22 1s6o n SER 53 Cb 0.53 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 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 0.00 0.00 0.05 0.44 3.14 -1.26 -3.81 118.33 116.90 1s6o n VAL 54 Ca 0.18 0.00 -0.17 0.00 -2.96 0.00 0.00 64.34 61.39 1s6o n VAL 54 Cb 0.84 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 33.48 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 0.25 -0.84 1.45 4.81 -1.99 -3.37 114.58 114.89 1s6o h GLU 55 Ca 0.00 -0.42 0.16 0.00 -0.13 0.00 0.00 59.36 58.97 1s6o h GLU 55 Cb 0.00 0.16 -0.16 0.00 0.63 0.00 0.00 28.75 29.38 1s6o h GLU 55 CO 0.00 1.10 -0.25 0.93 -0.73 0.00 0.00 179.01 180.07 1s6o h GLU 56 N 0.07 -0.02 -0.87 1.92 4.39 -1.94 -0.04 114.58 118.09 1s6o h GLU 56 Ca -0.27 0.00 0.15 0.00 0.34 0.00 0.00 59.36 59.57 1s6o h GLU 56 Cb 2.03 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 30.53 1s6o h GLU 56 CO 0.15 -0.01 -0.35 1.98 -1.16 0.00 0.00 179.01 179.62 1s6o h MET 57 N -0.02 -0.04 -0.12 2.33 4.05 -1.91 0.13 114.93 119.35 1s6o h MET 57 Ca 0.39 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.72 1s6o h MET 57 Cb 0.61 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.42 1s6o h MET 57 CO -0.87 -0.03 -0.26 -0.22 0.23 0.00 0.00 176.91 175.76 1s6o h LYS 58 N -0.04 0.38 -0.47 0.39 3.11 -1.31 -3.17 116.57 115.46 1s6o h LYS 58 Ca 0.33 -0.25 0.14 0.00 -2.81 0.00 0.00 60.65 58.05 1s6o h LYS 58 Cb 0.60 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.84 1s6o h LYS 58 CO -0.90 0.86 0.35 0.87 -2.81 0.00 0.00 179.45 177.82 1s6o h LYS 59 N -0.04 0.00 -0.61 1.90 6.56 0.19 0.20 116.57 124.76 1s6o h LYS 59 Ca 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.58 1s6o h LYS 59 Cb 0.85 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.48 1s6o h LYS 59 CO 0.06 0.00 0.33 1.96 -2.06 0.00 0.00 179.45 179.74 1s6o h GLN 60 N 0.00 0.86 -0.05 3.15 1.08 -0.80 0.12 115.11 119.48 1s6o h GLN 60 Ca 0.22 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.31 1s6o h GLN 60 Cb 0.92 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 28.18 1s6o h GLN 60 CO -0.00 0.66 0.01 0.82 -0.95 0.00 0.00 178.83 179.37 1s6o h ILE 61 N 0.84 1.20 -0.50 2.54 5.03 -0.78 -2.79 117.51 123.05 1s6o h ILE 61 Ca 0.22 -0.61 0.10 0.00 -0.12 0.00 0.00 64.86 64.44 1s6o h ILE 61 Cb 0.06 1.53 -0.08 0.00 -3.03 0.00 0.00 36.82 35.30 1s6o h ILE 61 CO -0.03 0.17 0.01 -0.33 -0.68 0.00 0.00 178.15 177.29 1s6o h GLU 62 N -0.16 0.13 0.00 2.37 5.08 -0.68 0.05 114.58 121.36 1s6o h GLU 62 Ca 0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1s6o h GLU 62 Cb 0.26 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1s6o h GLU 62 CO 0.00 0.08 0.00 0.00 -1.00 0.00 0.00 179.01 178.09 1s6o h ALA 63 N 1.44 1.00 -0.39 3.43 0.00 -0.73 0.83 119.26 124.83 1s6o h ALA 63 Ca 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1s6o h ALA 63 Cb 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1s6o h ALA 63 CO -0.41 0.00 0.21 0.52 0.00 0.00 0.00 179.25 179.57 1s6o h MET 64 N 0.00 0.53 0.00 0.00 2.86 -0.69 -3.47 114.93 114.16 1s6o h MET 64 Ca 0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1s6o h MET 64 Cb 0.01 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.56 1s6o h MET 64 CO 0.00 0.40 0.00 0.41 1.06 0.00 0.00 176.91 178.78 1s6o n GLY 65 N -1.34 2.50 3.66 8.32 0.00 0.28 -5.11 105.19 113.50 1s6o n GLY 65 Ca 0.03 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 2.83 -0.10 1.61 0.08 -1.22 -4.95 117.98 116.22 1s6o s PHE 66 Ca 0.00 1.00 -0.29 0.00 0.12 0.00 0.00 56.93 57.75 1s6o s PHE 66 Cb 0.00 -3.55 -0.05 0.00 -0.57 0.00 0.00 43.02 38.85 1s6o s PHE 66 CO 0.00 -1.69 1.78 -1.25 -0.10 0.00 0.00 175.22 173.96 1s6o s PRO 67 N 3.58 3.93 0.11 0.24 0.04 -1.26 -4.19 135.00 137.45 1s6o s PRO 67 Ca 0.55 2.10 0.01 0.00 0.04 0.00 0.00 61.00 63.70 1s6o s PRO 67 Cb -0.21 -4.08 -0.00 0.00 0.04 0.00 0.00 34.50 30.24 1s6o s PRO 67 CO 0.15 -1.15 0.02 0.00 0.04 0.00 0.00 177.00 176.06 1s6o n ALA 68 N 8.15 0.13 -3.63 8.56 0.00 -1.26 -3.13 120.51 129.32 1s6o n ALA 68 Ca 0.20 -0.54 -0.12 0.00 0.00 0.00 0.00 53.44 52.98 1s6o n ALA 68 Cb 0.43 0.33 -0.07 0.00 0.00 0.00 0.00 19.45 20.15 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 -1.73 -0.83 -0.04 0.00 2.19 -1.03 -4.95 117.98 111.60 1s6o s PHE 69 Ca 0.03 1.92 -0.16 0.00 0.33 0.00 0.00 56.93 59.05 1s6o s PHE 69 Cb 0.00 0.35 -0.05 0.00 -1.31 0.00 0.00 43.02 42.01 1s6o s PHE 69 CO 0.02 -0.40 0.42 0.54 1.83 0.00 0.00 175.22 177.63 1s6o s VAL 70 N 0.65 5.08 0.00 3.12 0.11 -1.26 -0.62 120.40 127.48 1s6o s VAL 70 Ca -0.02 0.85 0.00 0.00 -2.93 0.00 0.00 61.98 59.88 1s6o s VAL 70 Cb -0.05 -3.73 0.00 0.00 -1.53 0.00 0.00 36.38 31.07 1s6o s VAL 70 CO -0.04 0.50 0.00 0.29 -3.33 0.00 0.00 175.10 172.52 1s6o n LYS 71 N 2.43 0.00 -3.66 1.54 5.02 -1.20 -4.97 118.16 117.33 1s6o n LYS 71 Ca -0.12 0.07 -0.14 0.00 -2.02 0.00 0.00 58.31 56.09 1s6o n LYS 71 Cb 0.52 -0.41 -0.08 0.00 -0.02 0.00 0.00 35.03 35.04 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 -0.22 0.74 -0.25 1.97 2.20 -1.26 -5.12 119.74 117.79 1s6o s LYS 72 Ca 0.00 0.50 -0.04 0.00 -0.36 0.00 0.00 55.97 56.06 1s6o s LYS 72 Cb 0.00 0.35 0.14 0.00 -1.51 0.00 0.00 37.83 36.81 1s6o s LYS 72 CO 0.00 -0.15 0.48 -1.50 -0.36 0.00 0.00 175.35 173.82 1s6o s ILE 73 N -0.30 -0.77 -0.26 5.43 1.10 -1.26 -4.49 121.20 120.66 1s6o s ILE 73 Ca -0.05 0.02 -0.25 0.00 -0.51 0.00 0.00 60.65 59.86 1s6o s ILE 73 Cb -0.03 -0.85 0.07 0.00 0.15 0.00 0.00 42.46 41.80 1s6o s ILE 73 CO 0.03 -0.02 0.74 -1.83 -2.11 0.00 0.00 174.94 171.75 1s6o s GLU 74 N 2.69 0.83 0.00 3.50 -1.05 -1.26 -5.04 118.70 118.37 1s6o s GLU 74 Ca 0.08 0.92 0.00 0.00 -0.15 0.00 0.00 54.97 55.82 1s6o s GLU 74 Cb -0.14 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 33.96 1s6o s GLU 74 CO -0.17 -0.11 0.00 0.41 0.95 0.00 0.00 175.26 176.34 1s6o n GLY 75 N 2.53 -2.14 0.05 -3.83 0.00 -1.26 -4.91 105.19 95.63 1s6o n GLY 75 Ca -0.14 1.06 0.00 0.00 0.00 0.00 0.00 46.02 46.94 1s6o n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19