#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 0.30 -2.91 1.61 -0.58 -1.26 -4.96 120.64 112.84 1s6o n GLU 2 Ca 0.00 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.33 1s6o n GLU 2 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.83 1s6o n GLU 2 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1s6o s VAL 3 N -0.29 4.92 0.35 2.62 1.01 0.45 -4.70 120.40 124.75 1s6o s VAL 3 Ca 0.00 1.62 -0.25 0.00 0.00 0.00 0.00 61.98 63.35 1s6o s VAL 3 Cb 0.00 -4.13 -0.10 0.00 0.00 0.00 0.00 36.38 32.15 1s6o s VAL 3 CO 0.00 0.08 0.95 -0.69 0.00 0.00 0.00 175.10 175.45 1s6o s VAL 4 N 1.78 4.21 0.03 2.92 1.01 -1.26 -1.08 120.40 128.00 1s6o s VAL 4 Ca 0.39 1.71 0.01 0.00 0.00 0.00 0.00 61.98 64.10 1s6o s VAL 4 Cb -0.17 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 1s6o s VAL 4 CO 0.15 0.03 -0.06 -0.22 0.00 0.00 0.00 175.10 175.00 1s6o s LEU 5 N -2.34 2.24 -0.01 3.92 0.20 0.30 -4.43 118.68 118.56 1s6o s LEU 5 Ca 0.53 -0.50 -0.00 0.00 0.69 0.00 0.00 54.13 54.84 1s6o s LEU 5 Cb -0.17 -0.07 -0.04 0.00 -0.43 0.00 0.00 46.19 45.49 1s6o s LEU 5 CO 0.22 -0.22 0.07 -0.54 -0.29 0.00 0.00 176.35 175.58 1s6o s LYS 6 N -1.45 3.04 0.13 1.98 3.01 -1.26 -0.35 119.74 124.84 1s6o s LYS 6 Ca -0.12 -0.48 0.07 0.00 -1.01 0.00 0.00 55.97 54.43 1s6o s LYS 6 Cb -0.09 -2.84 -0.04 0.00 -1.01 0.00 0.00 37.83 33.84 1s6o s LYS 6 CO -0.00 0.65 -0.17 0.00 0.51 0.00 0.00 175.35 176.34 1s6o s MET 7 N -1.64 1.13 -0.05 1.68 0.23 0.13 -2.86 119.30 117.91 1s6o s MET 7 Ca 0.22 -1.28 0.04 0.00 -1.03 0.00 0.00 55.69 53.64 1s6o s MET 7 Cb -0.12 -1.16 -0.02 0.00 -1.53 0.00 0.00 34.83 31.99 1s6o s MET 7 CO 0.12 0.24 -0.15 0.15 -2.03 0.00 0.00 175.02 173.35 1s6o s LYS 8 N -2.52 2.55 -0.62 3.16 -0.14 -0.22 -0.97 119.74 120.98 1s6o s LYS 8 Ca 0.11 -0.72 0.06 0.00 -1.36 0.00 0.00 55.97 54.05 1s6o s LYS 8 Cb -0.06 -2.37 0.26 0.00 -1.68 0.00 0.00 37.83 33.98 1s6o s LYS 8 CO 0.05 0.57 0.76 0.28 -0.76 0.00 0.00 175.35 176.25 1s6o n VAL 9 N 2.45 2.30 -1.10 3.17 0.31 -0.79 -1.33 118.33 123.34 1s6o n VAL 9 Ca -0.17 -5.21 -0.29 0.00 -0.01 0.00 0.00 64.34 58.65 1s6o n VAL 9 Cb 0.52 -2.01 0.16 0.00 -0.91 0.00 0.00 33.84 31.60 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 -2.54 0.86 0.00 5.55 0.41 -1.26 -4.00 118.70 117.73 1s6o s GLU 10 Ca 0.41 0.81 0.00 0.00 -0.41 0.00 0.00 54.97 55.78 1s6o s GLU 10 Cb 0.17 -1.76 0.00 0.00 -1.78 0.00 0.00 34.13 30.75 1s6o s GLU 10 CO -0.03 -2.51 0.00 0.41 -0.49 0.00 0.00 175.26 172.64 1s6o n GLY 11 N -0.84 1.55 3.57 -1.39 0.00 -1.26 -4.35 105.19 102.47 1s6o n GLY 11 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 0.67 -1.08 1.61 2.81 -1.26 -5.01 117.12 114.86 1s6o n MET 12 Ca 0.00 0.27 -0.30 0.00 -1.81 0.00 0.00 57.70 55.86 1s6o n MET 12 Cb 0.00 -2.06 0.24 0.00 -0.71 0.00 0.00 33.22 30.69 1s6o n MET 12 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 1s6o s THR 13 N -1.66 1.59 0.01 2.03 -1.32 -1.26 -5.06 115.64 109.97 1s6o s THR 13 Ca 0.73 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 61.22 1s6o s THR 13 Cb -0.40 -2.49 -0.04 0.00 -1.51 0.00 0.00 72.50 68.07 1s6o s THR 13 CO 0.50 0.00 0.06 0.00 -2.21 0.00 0.00 174.62 172.97 1s6o n HIS 15 N 1.12 -1.48 -1.57 0.00 -0.00 -1.26 -4.82 115.22 107.21 1s6o n HIS 15 Ca -0.13 0.51 0.00 0.00 0.46 0.00 0.00 57.72 58.57 1s6o n HIS 15 Cb 0.52 -3.15 0.00 0.00 -0.12 0.00 0.00 29.99 27.24 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 -2.73 0.00 -2.70 0.26 7.64 -1.26 -5.04 113.62 109.79 1s6o n SER 16 Ca -0.25 -0.62 -0.07 0.00 1.01 0.00 0.00 58.87 58.94 1s6o n SER 16 Cb 0.65 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.94 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 0.02 0.00 -0.27 0.00 -2.24 -1.26 -4.74 114.28 105.79 1s6o n THR 18 Ca -0.02 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.88 1s6o n THR 18 Cb 0.75 -0.42 0.38 0.00 -2.10 0.00 0.00 70.33 68.94 1s6o n THR 18 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1s6o h SER 19 N 0.00 0.65 0.01 3.42 0.02 -1.95 0.43 113.55 116.13 1s6o h SER 19 Ca 0.00 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1s6o h SER 19 Cb 0.00 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.41 1s6o h SER 19 CO 0.00 0.33 -0.47 0.74 -1.14 0.00 0.00 176.83 176.29 1s6o h THR 20 N 0.68 0.00 -0.21 -2.27 2.02 -1.95 0.18 112.91 111.37 1s6o h THR 20 Ca 0.45 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.68 1s6o h THR 20 Cb 0.73 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.09 1s6o h THR 20 CO -0.20 0.00 -0.10 0.40 0.37 0.00 0.00 175.52 175.98 1s6o h ILE 21 N -0.60 0.67 0.16 3.11 5.03 -0.60 0.20 117.51 125.49 1s6o h ILE 21 Ca 0.01 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.74 1s6o h ILE 21 Cb 0.64 0.67 -0.00 0.00 -3.03 0.00 0.00 36.82 35.09 1s6o h ILE 21 CO -0.31 0.00 -0.12 -0.33 -0.68 0.00 0.00 178.15 176.71 1s6o h GLU 22 N -0.08 -0.26 -0.57 2.37 5.08 -0.41 0.46 114.58 121.17 1s6o h GLU 22 Ca 0.11 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.61 1s6o h GLU 22 Cb 0.25 0.06 -0.11 0.00 0.50 0.00 0.00 28.75 29.45 1s6o h GLU 22 CO -0.26 -0.17 -0.13 0.78 -1.00 0.00 0.00 179.01 178.22 1s6o h GLY 23 N -0.27 0.43 0.87 -3.84 0.00 -0.68 0.32 103.07 99.90 1s6o h GLY 23 Ca -0.02 0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 1s6o h GLY 23 CO 0.01 -0.22 -0.09 1.70 0.00 0.00 0.00 176.54 177.94 1s6o h LYS 24 N 0.01 -0.25 -0.80 4.80 3.11 -0.85 -2.31 116.57 120.28 1s6o h LYS 24 Ca 0.28 0.02 0.11 0.00 -2.81 0.00 0.00 60.65 58.24 1s6o h LYS 24 Cb 0.42 0.06 -0.06 0.00 -1.00 0.00 0.00 32.23 31.65 1s6o h LYS 24 CO -0.58 -0.06 0.52 0.82 -2.81 0.00 0.00 179.45 177.34 1s6o h ILE 25 N -0.39 0.91 0.00 2.00 1.08 -0.45 -0.95 117.51 119.70 1s6o h ILE 25 Ca -0.03 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 1s6o h ILE 25 Cb 0.30 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 34.23 1s6o h ILE 25 CO 0.04 0.12 0.26 1.23 -0.69 0.00 0.00 178.15 179.12 1s6o h GLY 26 N 0.67 0.00 0.98 5.37 0.00 0.20 0.15 103.07 110.44 1s6o h GLY 26 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1s6o h GLY 26 CO -0.15 0.00 -0.97 0.28 0.00 0.00 0.00 176.54 175.70 1s6o n LYS 27 N -2.79 0.54 -2.24 4.80 5.02 -0.36 -4.94 118.16 118.20 1s6o n LYS 27 Ca -0.02 0.11 -0.41 0.00 -2.02 0.00 0.00 58.31 55.96 1s6o n LYS 27 Cb 0.31 -1.79 -0.03 0.00 -0.02 0.00 0.00 35.03 33.50 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 -5.10 4.41 -0.45 -0.35 2.01 0.51 -4.89 118.68 114.81 1s6o s LEU 28 Ca 0.01 2.36 -0.32 0.00 0.01 0.00 0.00 54.13 56.19 1s6o s LEU 28 Cb 0.10 -3.61 -0.11 0.00 0.01 0.00 0.00 46.19 42.59 1s6o s LEU 28 CO 0.78 -0.52 2.32 0.00 1.01 0.00 0.00 176.35 179.94 1s6o n GLN 29 N 2.80 1.02 0.00 1.70 10.64 -1.26 -1.47 117.38 130.81 1s6o n GLN 29 Ca 0.07 0.21 0.00 0.00 -1.83 0.00 0.00 57.00 55.44 1s6o n GLN 29 Cb 0.43 -2.65 0.00 0.00 -0.86 0.00 0.00 30.24 27.16 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 6.33 0.87 3.77 2.61 0.00 -1.26 -3.71 105.19 113.81 1s6o n GLY 30 Ca 0.42 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.71 4.29 -0.12 1.61 1.01 -0.54 -3.76 120.40 122.18 1s6o s VAL 31 Ca 0.00 1.79 -0.00 0.00 0.00 0.00 0.00 61.98 63.77 1s6o s VAL 31 Cb 0.00 -4.16 -0.07 0.00 0.00 0.00 0.00 36.38 32.15 1s6o s VAL 31 CO 0.00 0.47 -0.11 0.00 0.00 0.00 0.00 175.10 175.46 1s6o n GLN 32 N 1.43 0.28 -3.90 2.72 1.13 -0.10 -4.86 117.38 114.08 1s6o n GLN 32 Ca -0.04 0.07 -0.09 0.00 -1.94 0.00 0.00 57.00 55.01 1s6o n GLN 32 Cb 0.48 -1.17 -0.08 0.00 0.11 0.00 0.00 30.24 29.58 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 -2.23 0.77 -0.04 -1.09 6.06 -1.23 -5.02 118.95 116.18 1s6o s ARG 33 Ca -0.16 -0.97 -0.09 0.00 -2.50 0.00 0.00 55.73 52.01 1s6o s ARG 33 Cb 0.04 0.31 0.02 0.00 0.06 0.00 0.00 34.95 35.38 1s6o s ARG 33 CO 0.25 -0.22 0.22 -1.50 -2.50 0.00 0.00 175.30 171.55 1s6o s ILE 34 N -3.68 0.04 -0.19 4.11 2.07 -1.26 -1.31 121.20 120.98 1s6o s ILE 34 Ca 0.04 -0.36 -0.04 0.00 -1.41 0.00 0.00 60.65 58.88 1s6o s ILE 34 Cb 0.05 -0.44 0.06 0.00 0.13 0.00 0.00 42.46 42.26 1s6o s ILE 34 CO -0.10 -0.20 0.06 -0.54 -1.91 0.00 0.00 174.94 172.25 1s6o s LYS 35 N -0.76 0.43 -0.27 3.50 3.01 0.41 -5.00 119.74 121.08 1s6o s LYS 35 Ca -0.08 -0.34 -0.10 0.00 -1.01 0.00 0.00 55.97 54.44 1s6o s LYS 35 Cb -0.05 -1.97 -0.04 0.00 -1.01 0.00 0.00 37.83 34.76 1s6o s LYS 35 CO 0.02 -0.68 0.14 0.08 0.51 0.00 0.00 175.35 175.42 1s6o s VAL 36 N 1.96 4.92 -0.73 3.17 1.01 -1.26 -0.23 120.40 129.23 1s6o s VAL 36 Ca 0.01 0.03 -0.09 0.00 0.00 0.00 0.00 61.98 61.94 1s6o s VAL 36 Cb -0.17 -3.32 0.19 0.00 0.00 0.00 0.00 36.38 33.08 1s6o s VAL 36 CO -0.10 0.29 0.61 -0.55 0.00 0.00 0.00 175.10 175.34 1s6o s SER 37 N 1.66 6.03 0.21 3.32 0.15 -0.14 -4.92 113.70 120.01 1s6o s SER 37 Ca 0.07 -2.75 -0.09 0.00 0.70 0.00 0.00 55.95 53.87 1s6o s SER 37 Cb -0.16 -2.04 0.30 0.00 -1.71 0.00 0.00 66.02 62.41 1s6o s SER 37 CO 0.08 -0.48 1.72 0.25 1.20 0.00 0.00 173.24 176.01 1s6o h LEU 38 N 7.44 0.12 -0.86 3.45 6.46 -1.91 0.23 115.31 130.24 1s6o h LEU 38 Ca 0.04 0.10 0.11 0.00 -0.12 0.00 0.00 57.88 58.01 1s6o h LEU 38 Cb 1.00 0.11 -0.13 0.00 -0.73 0.00 0.00 40.66 40.91 1s6o h LEU 38 CO 0.74 0.07 -0.47 0.44 -0.62 0.00 0.00 178.44 178.59 1s6o h ASP 39 N 0.34 -1.71 1.29 1.25 5.19 -1.92 0.70 116.42 121.55 1s6o h ASP 39 Ca 0.32 0.30 0.00 0.00 -0.62 0.00 0.00 57.03 57.03 1s6o h ASP 39 Cb 0.45 0.80 0.00 0.00 0.18 0.00 0.00 39.33 40.76 1s6o h ASP 39 CO -0.36 -0.29 0.00 -1.13 -3.12 0.00 0.00 179.24 174.34 1s6o h ASN 40 N -0.08 0.00 0.00 6.45 -0.00 -1.38 -3.46 115.58 117.12 1s6o h ASN 40 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.53 1s6o h ASN 40 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.85 1s6o h ASN 40 CO -0.88 0.00 0.00 0.00 -0.00 0.00 0.00 177.43 176.55 1s6o n GLN 41 N -2.74 -0.17 -4.19 6.67 6.02 0.59 -4.99 117.38 118.57 1s6o n GLN 41 Ca 0.03 0.04 -0.29 0.00 -0.01 0.00 0.00 57.00 56.77 1s6o n GLN 41 Cb 0.37 -3.31 -0.09 0.00 1.02 0.00 0.00 30.24 28.23 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 -0.43 2.32 0.20 -1.09 2.12 -1.14 -1.88 118.70 118.80 1s6o s GLU 42 Ca 0.00 -1.01 0.07 0.00 0.36 0.00 0.00 54.97 54.39 1s6o s GLU 42 Cb 0.00 -2.38 -0.05 0.00 0.26 0.00 0.00 34.13 31.97 1s6o s GLU 42 CO 0.00 0.50 -0.14 0.00 -0.54 0.00 0.00 175.26 175.08 1s6o s ALA 43 N -1.42 1.97 -0.12 6.30 0.00 -0.14 -0.97 121.76 127.39 1s6o s ALA 43 Ca 0.25 -1.65 0.03 0.00 0.00 0.00 0.00 51.96 50.59 1s6o s ALA 43 Cb -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.96 1s6o s ALA 43 CO 0.17 0.04 -0.23 0.99 0.00 0.00 0.00 175.76 176.73 1s6o s THR 44 N -3.01 2.07 0.29 0.00 2.01 0.67 -0.70 115.64 116.97 1s6o s THR 44 Ca 0.22 -1.00 0.09 0.00 0.31 0.00 0.00 61.69 61.31 1s6o s THR 44 Cb -0.00 -1.80 -0.06 0.00 0.01 0.00 0.00 72.50 70.65 1s6o s THR 44 CO 0.06 0.56 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.80 1s6o s ILE 45 N 0.53 2.04 -0.09 1.82 1.01 0.52 -0.44 121.20 126.59 1s6o s ILE 45 Ca -0.14 -2.23 -0.02 0.00 0.00 0.00 0.00 60.65 58.26 1s6o s ILE 45 Cb -0.17 -2.40 0.03 0.00 0.01 0.00 0.00 42.46 39.93 1s6o s ILE 45 CO 0.05 -0.35 0.01 0.54 0.00 0.00 0.00 174.94 175.20 1s6o s VAL 46 N -2.76 0.36 0.37 2.92 0.11 -0.43 -0.54 120.40 120.43 1s6o s VAL 46 Ca 0.29 0.01 -0.12 0.00 -2.93 0.00 0.00 61.98 59.23 1s6o s VAL 46 Cb 0.00 -0.60 0.05 0.00 -1.53 0.00 0.00 36.38 34.30 1s6o s VAL 46 CO 0.13 0.15 0.70 0.00 -3.33 0.00 0.00 175.10 172.76 1s6o n TYR 47 N 5.14 -2.16 -4.07 1.54 0.18 -0.24 -0.92 117.16 116.62 1s6o n TYR 47 Ca -0.07 -1.83 -0.13 0.00 1.88 0.00 0.00 57.90 57.74 1s6o n TYR 47 Cb 0.49 0.82 -0.11 0.00 -0.38 0.00 0.00 39.34 40.16 1s6o n TYR 47 CO 0.00 0.00 0.00 1.14 -2.08 0.00 0.00 176.86 175.92 1s6o s GLN 48 N -2.19 0.54 -1.35 -3.48 -2.07 -1.25 -0.41 119.66 109.45 1s6o s GLN 48 Ca 0.17 -0.76 -0.14 0.00 -1.82 0.00 0.00 55.36 52.81 1s6o s GLN 48 Cb -0.04 -0.32 -0.02 0.00 -1.09 0.00 0.00 33.01 31.54 1s6o s GLN 48 CO 0.13 0.06 2.30 -0.35 -1.32 0.00 0.00 175.29 176.10 1s6o n PRO 49 N 1.49 2.74 0.11 9.60 -0.04 -1.26 -3.60 135.00 144.03 1s6o n PRO 49 Ca -0.22 -2.36 0.00 0.00 -0.04 0.00 0.00 63.50 60.88 1s6o n PRO 49 Cb 0.55 -3.11 0.00 0.00 -0.04 0.00 0.00 33.50 30.90 1s6o n PRO 49 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1s6o n HIS 50 N 5.81 -2.37 0.07 0.54 8.25 -1.26 -4.92 115.22 121.35 1s6o n HIS 50 Ca 0.56 0.53 -0.05 0.00 -0.26 0.00 0.00 57.72 58.49 1s6o n HIS 50 Cb 0.35 1.28 -0.10 0.00 1.12 0.00 0.00 29.99 32.65 1s6o n HIS 50 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1s6o h LEU 51 N 0.00 0.00 -8.83 2.41 4.07 -1.83 -3.45 115.31 107.68 1s6o h LEU 51 Ca 0.00 0.00 -0.69 0.00 0.08 0.00 0.00 57.88 57.27 1s6o h LEU 51 Cb 0.00 0.00 -0.25 0.00 1.08 0.00 0.00 40.66 41.49 1s6o h LEU 51 CO 0.00 0.90 -0.86 -0.51 -1.08 0.00 0.00 178.44 176.89 1s6o s ILE 52 N -2.75 2.34 -0.04 1.22 1.10 -1.24 -4.76 121.20 117.06 1s6o s ILE 52 Ca 0.01 -1.39 0.00 0.00 -0.51 0.00 0.00 60.65 58.76 1s6o s ILE 52 Cb 0.09 -1.95 0.05 0.00 0.15 0.00 0.00 42.46 40.80 1s6o s ILE 52 CO 0.81 0.32 1.43 -1.20 -2.11 0.00 0.00 174.94 174.19 1s6o n SER 53 N 1.58 4.01 0.00 4.50 7.64 -1.26 -4.58 113.62 125.51 1s6o n SER 53 Ca -0.17 -2.28 0.00 0.00 1.01 0.00 0.00 58.87 57.43 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 0.72 0.00 0.13 0.44 0.31 -1.26 -3.88 118.33 114.79 1s6o n VAL 54 Ca 0.05 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.14 1s6o n VAL 54 Cb 0.57 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 33.34 1s6o n VAL 54 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1s6o h GLU 55 N 0.00 0.50 -0.98 5.55 4.81 -2.02 -3.36 114.58 119.08 1s6o h GLU 55 Ca 0.00 -0.86 0.23 0.00 -0.13 0.00 0.00 59.36 58.60 1s6o h GLU 55 Cb 0.00 0.32 -0.18 0.00 0.63 0.00 0.00 28.75 29.52 1s6o h GLU 55 CO 0.00 1.41 -0.13 0.93 -0.73 0.00 0.00 179.01 180.49 1s6o h GLU 56 N 0.12 0.00 -0.33 1.92 5.08 -1.93 0.15 114.58 119.59 1s6o h GLU 56 Ca -0.28 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.11 1s6o h GLU 56 Cb 2.14 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.35 1s6o h GLU 56 CO 0.25 0.00 -0.20 -0.12 -1.00 0.00 0.00 179.01 177.95 1s6o n MET 57 N -5.56 -0.15 0.03 2.33 1.56 -1.26 -0.40 117.12 113.67 1s6o n MET 57 Ca 0.19 0.91 -0.19 0.00 -0.27 0.00 0.00 57.70 58.33 1s6o n MET 57 Cb 0.60 -1.35 -0.11 0.00 2.15 0.00 0.00 33.22 34.51 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 0.57 -0.04 2.12 3.11 -1.10 -3.31 116.57 117.93 1s6o h LYS 58 Ca 0.05 -0.62 0.01 0.00 -2.81 0.00 0.00 60.65 57.28 1s6o h LYS 58 Cb 0.14 0.18 -0.00 0.00 -1.00 0.00 0.00 32.23 31.54 1s6o h LYS 58 CO -0.31 1.23 0.09 0.87 -2.81 0.00 0.00 179.45 178.53 1s6o h LYS 59 N 0.17 0.00 -0.67 1.90 1.79 -0.01 0.44 116.57 120.19 1s6o h LYS 59 Ca -0.11 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.33 1s6o h LYS 59 Cb 1.54 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 32.16 1s6o h LYS 59 CO 0.17 0.00 0.30 -0.56 -1.08 0.00 0.00 179.45 178.28 1s6o h GLN 60 N 0.00 0.97 -0.02 3.15 3.07 -0.82 0.88 115.11 122.34 1s6o h GLN 60 Ca 0.02 -0.15 -0.00 0.00 0.09 0.00 0.00 58.65 58.60 1s6o h GLN 60 Cb 0.20 -0.17 -0.00 0.00 0.08 0.00 0.00 27.48 27.59 1s6o h GLN 60 CO -0.00 0.78 0.00 0.82 0.09 0.00 0.00 178.83 180.53 1s6o h ILE 61 N 0.93 1.19 -0.66 1.86 5.03 -0.32 -2.34 117.51 123.19 1s6o h ILE 61 Ca 0.23 -0.57 0.09 0.00 -0.12 0.00 0.00 64.86 64.49 1s6o h ILE 61 Cb 0.15 1.54 -0.07 0.00 -3.03 0.00 0.00 36.82 35.40 1s6o h ILE 61 CO -0.03 0.15 0.30 -0.33 -0.68 0.00 0.00 178.15 177.57 1s6o h GLU 62 N -0.20 0.51 -0.01 2.37 5.08 -1.22 0.49 114.58 121.61 1s6o h GLU 62 Ca 0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1s6o h GLU 62 Cb 0.24 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1s6o h GLU 62 CO 0.00 0.34 0.01 0.00 -1.00 0.00 0.00 179.01 178.36 1s6o h ALA 63 N 1.42 1.28 0.00 3.43 0.00 -0.63 0.16 119.26 124.91 1s6o h ALA 63 Ca 0.33 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 1s6o h ALA 63 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1s6o h ALA 63 CO -0.28 -0.01 -0.27 0.52 0.00 0.00 0.00 179.25 179.20 1s6o h MET 64 N 0.00 0.00 0.00 0.00 2.86 -0.34 -3.47 114.93 113.98 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 0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1s6o h MET 64 CO -0.00 0.27 0.00 0.41 1.06 0.00 0.00 176.91 178.65 1s6o n GLY 65 N -0.59 4.37 3.61 8.32 0.00 0.55 -5.10 105.19 116.35 1s6o n GLY 65 Ca -0.02 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 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 1.36 -0.72 1.61 0.08 -1.25 -4.88 117.98 114.18 1s6o s PHE 66 Ca 0.00 0.49 -0.26 0.00 0.12 0.00 0.00 56.93 57.28 1s6o s PHE 66 Cb 0.00 -4.00 -0.02 0.00 -0.57 0.00 0.00 43.02 38.43 1s6o s PHE 66 CO 0.00 -3.89 1.82 -1.25 -0.10 0.00 0.00 175.22 171.81 1s6o s PRO 67 N 5.99 2.69 0.00 0.24 0.04 -1.26 -3.97 135.00 138.73 1s6o s PRO 67 Ca 0.94 0.21 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1s6o s PRO 67 Cb -0.31 -4.61 0.00 0.00 0.04 0.00 0.00 34.50 29.62 1s6o s PRO 67 CO 0.35 -2.86 0.00 0.00 0.04 0.00 0.00 177.00 174.53 1s6o n ALA 68 N 12.70 0.00 -3.57 8.56 0.00 -1.26 -4.06 120.51 132.88 1s6o n ALA 68 Ca 0.25 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.55 1s6o n ALA 68 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.89 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 1.39 -0.61 -0.08 0.00 5.36 -0.44 -4.91 117.98 118.68 1s6o s PHE 69 Ca 0.00 1.23 0.01 0.00 -0.96 0.00 0.00 56.93 57.21 1s6o s PHE 69 Cb 0.00 0.38 -0.03 0.00 -0.34 0.00 0.00 43.02 43.03 1s6o s PHE 69 CO 0.00 -0.46 -0.10 0.54 -1.46 0.00 0.00 175.22 173.74 1s6o s VAL 70 N -0.64 3.40 0.00 3.12 0.11 -1.26 -1.05 120.40 124.08 1s6o s VAL 70 Ca -0.05 -0.58 0.00 0.00 -2.93 0.00 0.00 61.98 58.42 1s6o s VAL 70 Cb -0.02 -2.39 0.00 0.00 -1.53 0.00 0.00 36.38 32.44 1s6o s VAL 70 CO 0.04 0.57 0.00 0.29 -3.33 0.00 0.00 175.10 172.68 1s6o n LYS 71 N 2.61 0.00 -3.60 1.54 5.02 -1.13 -5.00 118.16 117.60 1s6o n LYS 71 Ca -0.18 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 55.95 1s6o n LYS 71 Cb 0.53 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.47 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 0.00 0.93 -0.22 1.97 -2.85 -1.26 -5.10 119.74 113.21 1s6o s LYS 72 Ca 0.00 0.13 0.00 0.00 -1.00 0.00 0.00 55.97 55.10 1s6o s LYS 72 Cb 0.00 0.43 0.06 0.00 -2.06 0.00 0.00 37.83 36.26 1s6o s LYS 72 CO 0.00 -0.28 -0.04 -1.50 0.10 0.00 0.00 175.35 173.63 1s6o s ILE 73 N -1.20 1.32 -0.19 3.79 -1.16 -1.26 -4.57 121.20 117.93 1s6o s ILE 73 Ca -0.12 -1.07 -0.23 0.00 -0.51 0.00 0.00 60.65 58.73 1s6o s ILE 73 Cb -0.02 -1.63 0.06 0.00 0.61 0.00 0.00 42.46 41.48 1s6o s ILE 73 CO 0.08 -0.11 0.62 -1.83 -2.81 0.00 0.00 174.94 170.89 1s6o s GLU 74 N 1.49 0.78 0.00 3.50 -1.05 -1.26 -4.97 118.70 117.18 1s6o s GLU 74 Ca -0.05 0.71 0.00 0.00 -0.15 0.00 0.00 54.97 55.49 1s6o s GLU 74 Cb -0.18 0.38 0.00 0.00 -0.44 0.00 0.00 34.13 33.88 1s6o s GLU 74 CO -0.07 -0.13 0.00 0.41 0.95 0.00 0.00 175.26 176.42 1s6o n GLY 75 N 2.37 -1.83 3.30 -3.83 0.00 -1.26 -4.76 105.19 99.17 1s6o n GLY 75 Ca -0.15 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.66 1s6o n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19