#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 -0.51 -2.75 1.61 0.28 -1.25 -4.76 120.64 113.26 1s6o n GLU 2 Ca 0.00 0.03 -0.42 0.00 -0.16 0.00 0.00 57.16 56.61 1s6o n GLU 2 Cb 0.00 -2.59 -0.03 0.00 1.43 0.00 0.00 31.44 30.25 1s6o n GLU 2 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1s6o s VAL 3 N -3.88 4.83 -0.07 3.84 1.01 0.63 -4.68 120.40 122.08 1s6o s VAL 3 Ca 0.29 1.94 -0.30 0.00 0.00 0.00 0.00 61.98 63.91 1s6o s VAL 3 Cb -0.16 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 1s6o s VAL 3 CO 0.91 0.05 1.14 -0.69 0.00 0.00 0.00 175.10 176.51 1s6o s VAL 4 N 1.79 4.42 -0.02 2.92 1.01 -1.26 -1.95 120.40 127.30 1s6o s VAL 4 Ca 0.47 1.72 0.03 0.00 0.00 0.00 0.00 61.98 64.20 1s6o s VAL 4 Cb -0.18 -4.11 -0.00 0.00 0.00 0.00 0.00 36.38 32.09 1s6o s VAL 4 CO 0.19 0.00 -0.10 -0.22 0.00 0.00 0.00 175.10 174.96 1s6o s LEU 5 N 2.13 1.88 -0.14 3.92 1.98 0.05 -4.89 118.68 123.61 1s6o s LEU 5 Ca 0.54 -0.21 -0.17 0.00 -2.89 0.00 0.00 54.13 51.40 1s6o s LEU 5 Cb -0.23 -0.60 -0.04 0.00 0.66 0.00 0.00 46.19 45.98 1s6o s LEU 5 CO 0.21 0.10 0.43 -0.54 -1.89 0.00 0.00 176.35 174.65 1s6o s LYS 6 N 0.03 4.30 0.18 1.98 1.02 -1.26 -0.59 119.74 125.39 1s6o s LYS 6 Ca -0.01 0.34 0.06 0.00 0.02 0.00 0.00 55.97 56.38 1s6o s LYS 6 Cb -0.07 -3.45 -0.04 0.00 -0.52 0.00 0.00 37.83 33.75 1s6o s LYS 6 CO 0.00 0.14 0.07 -1.64 -0.92 0.00 0.00 175.35 173.01 1s6o s MET 7 N 0.70 2.64 -0.28 1.68 -1.94 0.31 -1.16 119.30 121.24 1s6o s MET 7 Ca 0.23 -1.01 -0.10 0.00 -1.71 0.00 0.00 55.69 53.10 1s6o s MET 7 Cb -0.15 -2.48 -0.03 0.00 2.01 0.00 0.00 34.83 34.18 1s6o s MET 7 CO 0.08 0.46 0.14 0.15 -0.01 0.00 0.00 175.02 175.85 1s6o s LYS 8 N -3.09 3.64 -1.09 2.03 -0.14 0.27 -0.33 119.74 121.03 1s6o s LYS 8 Ca 0.29 -0.51 -0.07 0.00 -1.36 0.00 0.00 55.97 54.32 1s6o s LYS 8 Cb -0.09 -3.54 0.29 0.00 -1.68 0.00 0.00 37.83 32.80 1s6o s LYS 8 CO 0.21 -0.27 1.21 0.28 -0.76 0.00 0.00 175.35 176.01 1s6o n VAL 9 N 5.00 4.70 -1.55 3.17 0.31 -1.21 -1.06 118.33 127.68 1s6o n VAL 9 Ca -0.15 -5.54 -0.29 0.00 -0.01 0.00 0.00 64.34 58.36 1s6o n VAL 9 Cb 0.51 -2.42 0.12 0.00 -0.91 0.00 0.00 33.84 31.14 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 -1.77 1.40 0.00 5.55 0.41 -1.11 -3.99 118.70 119.19 1s6o s GLU 10 Ca 0.31 0.37 0.00 0.00 -0.41 0.00 0.00 54.97 55.24 1s6o s GLU 10 Cb -0.05 -1.86 0.00 0.00 -1.78 0.00 0.00 34.13 30.44 1s6o s GLU 10 CO -0.03 -2.04 0.00 0.41 -0.49 0.00 0.00 175.26 173.12 1s6o n GLY 11 N -2.22 1.11 3.51 -1.39 0.00 -1.26 -4.42 105.19 100.53 1s6o n GLY 11 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 0.76 -1.21 1.61 2.81 -1.26 -4.79 117.12 115.04 1s6o n MET 12 Ca 0.00 0.07 -0.03 0.00 -1.81 0.00 0.00 57.70 55.94 1s6o n MET 12 Cb 0.00 -2.64 0.13 0.00 -0.71 0.00 0.00 33.22 30.00 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 7.67 1.98 -3.67 2.03 -2.24 -1.26 -4.96 114.28 113.83 1s6o n THR 13 Ca 0.47 -3.22 -0.13 0.00 -2.27 0.00 0.00 64.05 58.90 1s6o n THR 13 Cb 0.32 -0.24 -0.08 0.00 -2.10 0.00 0.00 70.33 68.22 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 3.00 0.00 -1.19 0.00 1.44 -1.26 -3.27 115.22 113.95 1s6o n HIS 15 Ca -0.15 -0.80 0.00 0.00 -2.01 0.00 0.00 57.72 54.77 1s6o n HIS 15 Cb 0.56 -0.69 0.00 0.00 0.12 0.00 0.00 29.99 29.99 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 1.99 0.22 -3.03 4.39 2.88 -1.26 -4.86 113.62 113.94 1s6o n SER 16 Ca 0.10 -1.39 -0.24 0.00 -1.33 0.00 0.00 58.87 56.01 1s6o n SER 16 Cb 0.44 -0.06 -0.04 0.00 -0.75 0.00 0.00 64.21 63.80 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 -0.05 0.00 -0.29 0.00 5.66 -1.26 -4.80 114.28 113.54 1s6o n THR 18 Ca 0.29 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 61.37 1s6o n THR 18 Cb 0.49 -0.27 0.24 0.00 -1.55 0.00 0.00 70.33 69.24 1s6o n THR 18 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 1s6o h SER 19 N 0.00 0.39 -0.22 1.09 0.87 -1.90 0.48 113.55 114.26 1s6o h SER 19 Ca 0.00 0.12 0.05 0.00 -1.23 0.00 0.00 61.79 60.73 1s6o h SER 19 Cb 0.00 0.07 -0.07 0.00 -0.44 0.00 0.00 62.40 61.96 1s6o h SER 19 CO 0.00 0.12 -0.39 0.74 -0.53 0.00 0.00 176.83 176.77 1s6o h THR 20 N 0.50 0.18 -0.21 2.23 2.02 -1.92 0.14 112.91 115.86 1s6o h THR 20 Ca 0.48 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.69 1s6o h THR 20 Cb 0.77 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 1s6o h THR 20 CO -0.43 0.00 0.03 0.40 0.37 0.00 0.00 175.52 175.89 1s6o h ILE 21 N -0.41 0.89 0.05 3.11 5.03 -0.53 0.02 117.51 125.67 1s6o h ILE 21 Ca 0.11 -0.04 0.00 0.00 -0.12 0.00 0.00 64.86 64.81 1s6o h ILE 21 Cb 0.59 0.77 -0.01 0.00 -3.03 0.00 0.00 36.82 35.14 1s6o h ILE 21 CO -0.44 0.02 -0.12 -0.33 -0.68 0.00 0.00 178.15 176.59 1s6o h GLU 22 N 0.11 -0.18 -0.53 2.37 5.08 0.04 0.98 114.58 122.45 1s6o h GLU 22 Ca 0.10 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.58 1s6o h GLU 22 Cb 0.10 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.29 1s6o h GLU 22 CO -0.14 -0.12 -0.14 0.78 -1.00 0.00 0.00 179.01 178.39 1s6o h GLY 23 N -0.19 0.36 0.93 -3.84 0.00 -0.74 0.32 103.07 99.91 1s6o h GLY 23 Ca -0.00 0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.49 1s6o h GLY 23 CO -0.06 -0.20 -0.27 1.70 0.00 0.00 0.00 176.54 177.71 1s6o h LYS 24 N -0.01 -0.67 0.00 4.80 1.63 -0.81 -2.62 116.57 118.89 1s6o h LYS 24 Ca 0.25 0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 60.08 1s6o h LYS 24 Cb 0.39 0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 32.18 1s6o h LYS 24 CO -0.55 -0.45 -0.08 0.82 -3.45 0.00 0.00 179.45 175.75 1s6o h ILE 25 N -0.70 0.93 -0.02 2.00 1.08 -0.35 -1.32 117.51 119.14 1s6o h ILE 25 Ca -0.06 -0.28 0.01 0.00 -0.39 0.00 0.00 64.86 64.14 1s6o h ILE 25 Cb 0.56 1.16 -0.00 0.00 -3.07 0.00 0.00 36.82 35.46 1s6o h ILE 25 CO 0.08 0.08 0.28 1.23 -0.69 0.00 0.00 178.15 179.13 1s6o h GLY 26 N 0.28 0.00 0.43 5.37 0.00 0.03 0.91 103.07 110.09 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 0.01 0.00 -0.31 0.28 0.00 0.00 0.00 176.54 176.52 1s6o n LYS 27 N -2.97 0.63 -2.30 4.80 4.76 -0.50 -4.88 118.16 117.70 1s6o n LYS 27 Ca -0.02 -0.37 -0.41 0.00 -2.87 0.00 0.00 58.31 54.64 1s6o n LYS 27 Cb 0.34 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 32.00 1s6o n LYS 27 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1s6o s LEU 28 N -2.62 4.44 -0.49 -0.35 2.01 0.31 -4.92 118.68 117.06 1s6o s LEU 28 Ca 0.21 2.34 -0.27 0.00 0.01 0.00 0.00 54.13 56.42 1s6o s LEU 28 Cb 0.19 -3.61 -0.08 0.00 0.01 0.00 0.00 46.19 42.69 1s6o s LEU 28 CO 0.56 -0.42 2.41 0.00 1.01 0.00 0.00 176.35 179.91 1s6o n GLN 29 N 2.29 1.07 0.00 1.70 10.64 -1.26 -1.42 117.38 130.40 1s6o n GLN 29 Ca 0.04 0.07 0.00 0.00 -1.83 0.00 0.00 57.00 55.28 1s6o n GLN 29 Cb 0.44 -3.23 0.00 0.00 -0.86 0.00 0.00 30.24 26.59 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 6.04 1.32 3.75 2.61 0.00 -1.26 -3.61 105.19 114.05 1s6o n GLY 30 Ca 0.39 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.25 4.37 -0.03 1.61 1.01 -0.51 -3.28 120.40 122.31 1s6o s VAL 31 Ca 0.00 1.90 0.01 0.00 0.00 0.00 0.00 61.98 63.89 1s6o s VAL 31 Cb 0.00 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 1s6o s VAL 31 CO 0.00 0.44 -0.01 0.00 0.00 0.00 0.00 175.10 175.53 1s6o n GLN 32 N 2.06 1.96 -4.04 2.72 10.64 -0.59 -4.80 117.38 125.34 1s6o n GLN 32 Ca -0.02 0.01 -0.08 0.00 -1.83 0.00 0.00 57.00 55.08 1s6o n GLN 32 Cb 0.49 -1.07 -0.09 0.00 -0.86 0.00 0.00 30.24 28.70 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 -2.07 0.76 -0.12 2.61 6.06 -1.18 -5.04 118.95 119.97 1s6o s ARG 33 Ca -0.03 -1.19 -0.17 0.00 -2.50 0.00 0.00 55.73 51.83 1s6o s ARG 33 Cb 0.01 0.26 0.04 0.00 0.06 0.00 0.00 34.95 35.32 1s6o s ARG 33 CO 0.10 -0.19 0.45 -1.50 -2.50 0.00 0.00 175.30 171.65 1s6o s ILE 34 N -3.93 0.01 -0.19 4.11 2.07 -1.26 -1.15 121.20 120.86 1s6o s ILE 34 Ca 0.10 -0.11 -0.05 0.00 -1.41 0.00 0.00 60.65 59.18 1s6o s ILE 34 Cb 0.07 -0.67 0.07 0.00 0.13 0.00 0.00 42.46 42.06 1s6o s ILE 34 CO -0.08 -0.06 0.12 -0.54 -1.91 0.00 0.00 174.94 172.47 1s6o s LYS 35 N -0.28 0.10 -0.30 3.50 3.01 0.37 -5.00 119.74 121.15 1s6o s LYS 35 Ca -0.04 -0.08 -0.11 0.00 -1.01 0.00 0.00 55.97 54.72 1s6o s LYS 35 Cb -0.03 -1.62 -0.04 0.00 -1.01 0.00 0.00 37.83 35.13 1s6o s LYS 35 CO 0.02 -0.71 0.19 0.08 0.51 0.00 0.00 175.35 175.45 1s6o s VAL 36 N 2.17 5.20 -0.95 3.17 1.01 -1.26 -0.28 120.40 129.46 1s6o s VAL 36 Ca 0.04 0.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.96 1s6o s VAL 36 Cb -0.16 -3.54 0.24 0.00 0.00 0.00 0.00 36.38 32.92 1s6o s VAL 36 CO -0.13 0.17 0.89 -0.55 0.00 0.00 0.00 175.10 175.48 1s6o s SER 37 N 1.73 6.59 0.18 3.32 0.15 0.41 -4.90 113.70 121.19 1s6o s SER 37 Ca 0.07 -3.46 -0.15 0.00 0.70 0.00 0.00 55.95 53.10 1s6o s SER 37 Cb -0.16 -2.07 0.15 0.00 -1.71 0.00 0.00 66.02 62.22 1s6o s SER 37 CO 0.10 -0.29 1.67 0.25 1.20 0.00 0.00 173.24 176.17 1s6o h LEU 38 N 6.61 -0.32 -0.74 3.45 7.12 -1.93 0.30 115.31 129.81 1s6o h LEU 38 Ca 0.15 0.12 0.14 0.00 0.13 0.00 0.00 57.88 58.42 1s6o h LEU 38 Cb 0.88 0.24 -0.14 0.00 -0.53 0.00 0.00 40.66 41.12 1s6o h LEU 38 CO 0.89 -0.11 -0.27 0.44 -0.13 0.00 0.00 178.44 179.27 1s6o h ASP 39 N 0.05 -0.96 0.74 1.25 5.19 -1.91 0.16 116.42 120.94 1s6o h ASP 39 Ca 0.23 0.24 0.00 0.00 -0.62 0.00 0.00 57.03 56.88 1s6o h ASP 39 Cb 0.34 0.55 0.00 0.00 0.18 0.00 0.00 39.33 40.40 1s6o h ASP 39 CO -0.43 -0.28 0.00 -3.20 -3.12 0.00 0.00 179.24 172.21 1s6o n ASN 40 N -5.48 0.00 -1.67 6.45 5.15 -0.02 -4.86 115.26 114.84 1s6o n ASN 40 Ca 0.08 0.44 -0.18 0.00 -0.60 0.00 0.00 54.58 54.33 1s6o n ASN 40 Cb 0.38 -0.48 -0.05 0.00 -0.53 0.00 0.00 39.78 39.10 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 -1.48 -1.34 -4.04 1.20 6.02 0.56 -4.95 117.38 113.35 1s6o n GLN 41 Ca 0.06 1.04 -0.08 0.00 -0.01 0.00 0.00 57.00 58.01 1s6o n GLN 41 Cb 0.26 -5.40 -0.09 0.00 1.02 0.00 0.00 30.24 26.02 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 -4.09 0.69 0.06 -1.09 2.12 -1.03 -3.32 118.70 112.04 1s6o s GLU 42 Ca 0.00 -1.17 -0.03 0.00 0.36 0.00 0.00 54.97 54.13 1s6o s GLU 42 Cb 0.00 0.25 -0.03 0.00 0.26 0.00 0.00 34.13 34.61 1s6o s GLU 42 CO 0.00 -0.16 0.03 0.00 -0.54 0.00 0.00 175.26 174.59 1s6o s ALA 43 N -3.91 0.26 -0.22 6.30 0.00 0.55 -0.44 121.76 124.29 1s6o s ALA 43 Ca 0.08 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 51.05 1s6o s ALA 43 Cb 0.07 0.31 0.07 0.00 0.00 0.00 0.00 23.12 23.57 1s6o s ALA 43 CO -0.09 -0.38 0.03 0.99 0.00 0.00 0.00 175.76 176.31 1s6o s THR 44 N -3.62 0.75 0.22 0.00 2.01 0.61 -0.53 115.64 115.07 1s6o s THR 44 Ca 0.04 -0.83 0.10 0.00 0.31 0.00 0.00 61.69 61.31 1s6o s THR 44 Cb 0.05 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.24 1s6o s THR 44 CO -0.09 -0.28 -0.14 -0.63 -0.69 0.00 0.00 174.62 172.78 1s6o s ILE 45 N 1.74 2.86 -0.16 1.82 1.01 0.24 -0.48 121.20 128.23 1s6o s ILE 45 Ca 0.00 -1.94 -0.01 0.00 0.00 0.00 0.00 60.65 58.70 1s6o s ILE 45 Cb -0.17 -2.44 0.05 0.00 0.01 0.00 0.00 42.46 39.90 1s6o s ILE 45 CO -0.11 -0.21 -0.01 0.54 0.00 0.00 0.00 174.94 175.15 1s6o s VAL 46 N -1.94 0.76 0.38 2.92 0.11 -0.30 -0.77 120.40 121.57 1s6o s VAL 46 Ca 0.26 -0.47 -0.13 0.00 -2.93 0.00 0.00 61.98 58.71 1s6o s VAL 46 Cb -0.07 -1.06 0.04 0.00 -1.53 0.00 0.00 36.38 33.76 1s6o s VAL 46 CO 0.14 0.02 0.73 -0.72 -3.33 0.00 0.00 175.10 171.94 1s6o s TYR 47 N 1.78 0.34 -0.03 1.54 1.13 -0.82 -1.54 117.35 119.74 1s6o s TYR 47 Ca 0.01 -0.92 -0.01 0.00 -1.41 0.00 0.00 57.07 54.73 1s6o s TYR 47 Cb -0.15 0.64 0.03 0.00 -1.10 0.00 0.00 41.96 41.38 1s6o s TYR 47 CO -0.07 -1.49 0.06 -1.14 -2.51 0.00 0.00 175.55 170.40 1s6o s GLN 48 N -2.42 0.01 -0.96 -3.49 0.74 -1.21 -0.26 119.66 112.08 1s6o s GLN 48 Ca 0.19 0.21 -0.22 0.00 0.05 0.00 0.00 55.36 55.59 1s6o s GLN 48 Cb -0.04 -0.17 -0.12 0.00 1.10 0.00 0.00 33.01 33.78 1s6o s GLN 48 CO 0.14 -0.13 1.93 -0.35 -0.55 0.00 0.00 175.29 176.33 1s6o n PRO 49 N 3.95 1.68 0.03 1.67 -0.04 -1.26 -3.53 135.00 137.50 1s6o n PRO 49 Ca -0.24 -2.14 0.00 0.00 -0.04 0.00 0.00 63.50 61.08 1s6o n PRO 49 Cb 0.53 -3.21 0.00 0.00 -0.04 0.00 0.00 33.50 30.78 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 9.54 -1.04 0.03 0.54 -0.00 -1.26 -4.89 115.22 118.13 1s6o n HIS 50 Ca 0.48 0.13 -0.04 0.00 0.46 0.00 0.00 57.72 58.75 1s6o n HIS 50 Cb 0.42 0.67 -0.10 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 -8.68 0.27 3.38 -1.82 -3.47 115.31 104.99 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 -0.27 0.00 0.09 0.00 0.00 40.66 40.48 1s6o h LEU 51 CO 0.00 0.78 -0.87 -0.51 0.09 0.00 0.00 178.44 177.93 1s6o s ILE 52 N -2.78 2.03 -0.08 1.22 1.10 -1.24 -4.76 121.20 116.69 1s6o s ILE 52 Ca -0.02 -1.30 0.01 0.00 -0.51 0.00 0.00 60.65 58.83 1s6o s ILE 52 Cb 0.08 -1.73 0.11 0.00 0.15 0.00 0.00 42.46 41.08 1s6o s ILE 52 CO 0.81 0.38 1.27 -1.20 -2.11 0.00 0.00 174.94 174.09 1s6o n SER 53 N 1.92 3.49 0.00 4.50 7.64 -1.26 -4.41 113.62 125.50 1s6o n SER 53 Ca -0.17 -2.33 0.00 0.00 1.01 0.00 0.00 58.87 57.39 1s6o n SER 53 Cb 0.52 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 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 0.33 0.00 0.13 0.44 3.14 -1.26 -3.58 118.33 117.53 1s6o n VAL 54 Ca 0.10 0.00 -0.23 0.00 -2.96 0.00 0.00 64.34 61.26 1s6o n VAL 54 Cb 0.68 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 33.30 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 0.47 -0.67 1.45 4.57 -1.97 -3.38 114.58 115.05 1s6o h GLU 55 Ca 0.00 -0.81 0.12 0.00 -1.18 0.00 0.00 59.36 57.49 1s6o h GLU 55 Cb 0.00 0.30 -0.12 0.00 -0.16 0.00 0.00 28.75 28.77 1s6o h GLU 55 CO 0.00 1.38 -0.32 0.93 -1.18 0.00 0.00 179.01 179.82 1s6o h GLU 56 N 0.13 -0.11 -0.75 1.92 4.39 -1.92 0.30 114.58 118.54 1s6o h GLU 56 Ca -0.25 0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.55 1s6o h GLU 56 Cb 2.13 0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 30.70 1s6o h GLU 56 CO 0.25 -0.07 -0.36 -0.12 -1.16 0.00 0.00 179.01 177.54 1s6o n MET 57 N -5.45 -0.25 -0.08 2.33 1.56 -1.26 -0.60 117.12 113.37 1s6o n MET 57 Ca 0.06 1.14 -0.14 0.00 -0.27 0.00 0.00 57.70 58.48 1s6o n MET 57 Cb 0.37 -1.68 -0.05 0.00 2.15 0.00 0.00 33.22 34.01 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 0.72 -0.28 2.12 3.11 -0.70 -3.07 116.57 118.48 1s6o h LYS 58 Ca 0.19 -0.43 0.08 0.00 -2.81 0.00 0.00 60.65 57.68 1s6o h LYS 58 Cb 0.38 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.63 1s6o h LYS 58 CO -0.72 1.05 0.22 0.87 -2.81 0.00 0.00 179.45 178.06 1s6o h LYS 59 N 0.45 0.00 -0.47 1.90 1.79 0.76 0.73 116.57 121.74 1s6o h LYS 59 Ca 0.03 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.47 1s6o h LYS 59 Cb 0.98 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.61 1s6o h LYS 59 CO 0.09 0.00 0.19 1.96 -1.08 0.00 0.00 179.45 180.61 1s6o h GLN 60 N 0.00 0.70 -0.32 3.15 1.08 -1.04 0.13 115.11 118.81 1s6o h GLN 60 Ca 0.13 -0.13 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1s6o h GLN 60 Cb 0.57 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 1s6o h GLN 60 CO -0.00 0.63 0.15 0.82 -0.95 0.00 0.00 178.83 179.49 1s6o h ILE 61 N 0.61 1.16 -0.28 2.54 5.03 -1.02 -2.02 117.51 123.53 1s6o h ILE 61 Ca 0.16 -0.45 0.07 0.00 -0.12 0.00 0.00 64.86 64.51 1s6o h ILE 61 Cb 0.19 0.86 -0.07 0.00 -3.03 0.00 0.00 36.82 34.78 1s6o h ILE 61 CO -0.01 0.16 -0.18 -0.33 -0.68 0.00 0.00 178.15 177.11 1s6o h GLU 62 N 0.38 -0.15 0.00 2.37 5.08 -0.50 -2.28 114.58 119.49 1s6o h GLU 62 Ca 0.11 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1s6o h GLU 62 Cb 0.12 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1s6o h GLU 62 CO -0.01 -0.10 -0.01 0.00 -1.00 0.00 0.00 179.01 177.89 1s6o h ALA 63 N 1.02 1.08 -0.65 3.43 0.00 -0.56 0.11 119.26 123.70 1s6o h ALA 63 Ca 0.15 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.20 1s6o h ALA 63 Cb 0.38 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1s6o h ALA 63 CO -0.37 0.01 0.44 0.52 0.00 0.00 0.00 179.25 179.85 1s6o h MET 64 N 0.00 0.26 0.00 0.00 2.86 -0.75 -3.45 114.93 113.85 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 0.08 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.69 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 -1.56 0.98 3.09 8.32 0.00 0.30 -5.15 105.19 111.17 1s6o n GLY 65 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.35 -0.34 0.04 1.61 0.08 -0.68 -5.11 117.98 112.22 1s6o s PHE 66 Ca 0.00 0.80 -0.30 0.00 0.12 0.00 0.00 56.93 57.54 1s6o s PHE 66 Cb 0.00 0.08 -0.08 0.00 -0.57 0.00 0.00 43.02 42.45 1s6o s PHE 66 CO 0.00 -0.22 1.69 -1.25 -0.10 0.00 0.00 175.22 175.34 1s6o s PRO 67 N 0.98 4.19 0.36 0.24 0.04 -1.26 -4.09 135.00 135.45 1s6o s PRO 67 Ca -0.07 2.33 0.04 0.00 0.04 0.00 0.00 61.00 63.34 1s6o s PRO 67 Cb -0.08 -3.75 -0.04 0.00 0.04 0.00 0.00 34.50 30.67 1s6o s PRO 67 CO -0.07 -0.79 0.11 0.00 0.04 0.00 0.00 177.00 176.30 1s6o s ALA 68 N 3.16 2.56 -0.02 8.56 0.00 -1.26 -2.76 121.76 132.00 1s6o s ALA 68 Ca 0.75 -1.56 -0.26 0.00 0.00 0.00 0.00 51.96 50.90 1s6o s ALA 68 Cb -0.39 0.81 0.06 0.00 0.00 0.00 0.00 23.12 23.60 1s6o s ALA 68 CO 0.33 -0.37 0.57 0.12 0.00 0.00 0.00 175.76 176.41 1s6o s PHE 69 N -3.33 -0.51 -0.10 0.00 5.36 -0.22 -4.90 117.98 114.28 1s6o s PHE 69 Ca 0.30 0.81 0.01 0.00 -0.96 0.00 0.00 56.93 57.09 1s6o s PHE 69 Cb 0.05 0.33 0.02 0.00 -0.34 0.00 0.00 43.02 43.07 1s6o s PHE 69 CO 0.15 -0.57 -0.13 0.54 -1.46 0.00 0.00 175.22 173.75 1s6o s VAL 70 N -1.46 1.35 0.00 3.12 0.11 -1.26 -0.57 120.40 121.69 1s6o s VAL 70 Ca -0.11 -0.55 0.00 0.00 -2.93 0.00 0.00 61.98 58.39 1s6o s VAL 70 Cb -0.01 -1.26 0.00 0.00 -1.53 0.00 0.00 36.38 33.58 1s6o s VAL 70 CO 0.06 0.41 0.12 0.29 -3.33 0.00 0.00 175.10 172.65 1s6o n LYS 71 N 4.27 0.00 -3.66 1.54 5.02 -0.31 -4.97 118.16 120.04 1s6o n LYS 71 Ca -0.19 0.45 -0.13 0.00 -2.02 0.00 0.00 58.31 56.42 1s6o n LYS 71 Cb 0.51 -1.01 -0.08 0.00 -0.02 0.00 0.00 35.03 34.43 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 -1.12 0.71 -0.27 1.97 1.02 -1.26 -5.06 119.74 115.71 1s6o s LYS 72 Ca 0.00 0.89 -0.01 0.00 0.02 0.00 0.00 55.97 56.87 1s6o s LYS 72 Cb 0.00 0.32 0.13 0.00 -0.52 0.00 0.00 37.83 37.76 1s6o s LYS 72 CO 0.00 -0.09 0.31 -1.50 -0.92 0.00 0.00 175.35 173.14 1s6o s ILE 73 N 0.47 -0.44 0.05 2.17 1.10 -1.26 -4.33 121.20 118.96 1s6o s ILE 73 Ca -0.01 -0.37 -0.23 0.00 -0.51 0.00 0.00 60.65 59.53 1s6o s ILE 73 Cb -0.05 -0.93 0.05 0.00 0.15 0.00 0.00 42.46 41.69 1s6o s ILE 73 CO -0.01 -0.38 0.52 -1.83 -2.11 0.00 0.00 174.94 171.14 1s6o s GLU 74 N 2.40 1.04 0.00 3.50 4.04 -1.26 -5.01 118.70 123.41 1s6o s GLU 74 Ca 0.09 -0.22 0.00 0.00 0.04 0.00 0.00 54.97 54.88 1s6o s GLU 74 Cb -0.14 0.47 0.00 0.00 0.02 0.00 0.00 34.13 34.48 1s6o s GLU 74 CO -0.28 -0.37 0.00 0.41 -1.84 0.00 0.00 175.26 173.17 1s6o n GLY 75 N 0.41 -0.74 0.00 -3.83 0.00 -1.26 -4.91 105.19 94.86 1s6o n GLY 75 Ca -0.18 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.32 1s6o n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19