#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 4.17 0.07 1.61 2.02 -1.26 -4.33 118.70 120.98 1s6o s GLU 2 Ca 0.00 2.35 0.01 0.00 0.02 0.00 0.00 54.97 57.35 1s6o s GLU 2 Cb 0.00 -3.96 -0.04 0.00 0.10 0.00 0.00 34.13 30.23 1s6o s GLU 2 CO 0.00 -0.86 -0.06 0.08 0.02 0.00 0.00 175.26 174.44 1s6o s VAL 3 N 3.88 0.57 -0.16 2.63 1.01 0.39 -4.93 120.40 123.80 1s6o s VAL 3 Ca 0.78 -1.65 -0.23 0.00 0.00 0.00 0.00 61.98 60.88 1s6o s VAL 3 Cb -0.37 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 1s6o s VAL 3 CO 0.34 -0.74 0.70 -0.69 0.00 0.00 0.00 175.10 174.71 1s6o s VAL 4 N -2.98 4.98 -0.02 2.92 1.01 -1.26 -1.17 120.40 123.89 1s6o s VAL 4 Ca 0.04 1.37 0.02 0.00 0.00 0.00 0.00 61.98 63.42 1s6o s VAL 4 Cb 0.01 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 1s6o s VAL 4 CO -0.04 0.12 -0.06 -0.22 0.00 0.00 0.00 175.10 174.90 1s6o s LEU 5 N 1.75 3.22 -0.17 3.92 0.20 0.30 -4.61 118.68 123.29 1s6o s LEU 5 Ca 0.33 -0.08 -0.01 0.00 0.69 0.00 0.00 54.13 55.07 1s6o s LEU 5 Cb -0.16 -1.80 -0.00 0.00 -0.43 0.00 0.00 46.19 43.80 1s6o s LEU 5 CO 0.12 0.31 -0.13 -0.54 -0.29 0.00 0.00 176.35 175.83 1s6o s LYS 6 N -1.21 3.24 -0.05 1.98 1.02 -1.26 -0.25 119.74 123.21 1s6o s LYS 6 Ca 0.16 -0.72 0.04 0.00 0.02 0.00 0.00 55.97 55.47 1s6o s LYS 6 Cb -0.11 -2.72 -0.00 0.00 -0.52 0.00 0.00 37.83 34.47 1s6o s LYS 6 CO 0.06 -0.06 -0.17 0.00 -0.92 0.00 0.00 175.35 174.25 1s6o s MET 7 N 1.03 1.82 0.09 1.68 0.23 0.23 -0.74 119.30 123.64 1s6o s MET 7 Ca -0.01 -0.60 -0.31 0.00 -1.03 0.00 0.00 55.69 53.74 1s6o s MET 7 Cb -0.15 -1.57 -0.07 0.00 -1.53 0.00 0.00 34.83 31.52 1s6o s MET 7 CO -0.03 0.23 1.34 0.15 -2.03 0.00 0.00 175.02 174.68 1s6o s LYS 8 N 0.09 4.34 -0.84 3.16 -0.14 0.15 -0.70 119.74 125.80 1s6o s LYS 8 Ca -0.05 1.99 0.01 0.00 -1.36 0.00 0.00 55.97 56.56 1s6o s LYS 8 Cb -0.12 -3.31 0.25 0.00 -1.68 0.00 0.00 37.83 32.97 1s6o s LYS 8 CO 0.03 -0.41 0.93 0.28 -0.76 0.00 0.00 175.35 175.42 1s6o n VAL 9 N 4.03 3.28 -0.83 3.17 0.31 -0.10 -0.95 118.33 127.25 1s6o n VAL 9 Ca 0.11 -5.35 -0.30 0.00 -0.01 0.00 0.00 64.34 58.79 1s6o n VAL 9 Cb 0.43 -2.19 0.18 0.00 -0.91 0.00 0.00 33.84 31.36 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 -2.16 0.48 0.00 5.55 0.41 -1.17 -3.64 118.70 118.17 1s6o s GLU 10 Ca 0.33 1.06 0.00 0.00 -0.41 0.00 0.00 54.97 55.95 1s6o s GLU 10 Cb 0.04 -1.70 0.00 0.00 -1.78 0.00 0.00 34.13 30.69 1s6o s GLU 10 CO -0.03 -2.84 0.00 0.41 -0.49 0.00 0.00 175.26 172.31 1s6o n GLY 11 N -0.08 1.07 3.66 -1.39 0.00 -1.26 -4.44 105.19 102.75 1s6o n GLY 11 Ca 0.07 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.51 1s6o n GLY 11 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1s6o n MET 12 N 0.00 0.86 -3.72 1.61 0.00 -1.24 -4.96 117.12 109.67 1s6o n MET 12 Ca 0.00 0.32 -0.13 0.00 0.00 0.00 0.00 57.70 57.88 1s6o n MET 12 Cb 0.00 -1.94 -0.10 0.00 0.00 0.00 0.00 33.22 31.18 1s6o n MET 12 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 1s6o s THR 13 N 2.27 -0.00 0.61 1.12 -1.32 -1.26 -5.00 115.64 112.06 1s6o s THR 13 Ca 0.95 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.43 1s6o s THR 13 Cb -1.12 -0.61 0.00 0.00 -1.51 0.00 0.00 72.50 69.26 1s6o s THR 13 CO 0.62 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 173.03 1s6o n HIS 15 N -4.38 1.04 -3.69 0.00 -0.00 -1.26 -4.68 115.22 102.26 1s6o n HIS 15 Ca -0.09 -0.05 0.00 0.00 -0.00 0.00 0.00 57.72 57.58 1s6o n HIS 15 Cb 0.70 -2.51 -0.01 0.00 -0.00 0.00 0.00 29.99 28.17 1s6o n HIS 15 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1s6o s SER 16 N 9.75 -0.08 -1.26 0.41 0.15 -1.26 -5.01 113.70 116.40 1s6o s SER 16 Ca 0.91 -0.23 -0.08 0.00 0.70 0.00 0.00 55.95 57.25 1s6o s SER 16 Cb -0.14 0.26 0.01 0.00 -1.71 0.00 0.00 66.02 64.44 1s6o s SER 16 CO 0.13 -0.49 0.14 0.00 1.20 0.00 0.00 173.24 174.22 1s6o n THR 18 N -4.18 0.00 -0.31 0.00 -2.24 -1.26 -4.75 114.28 101.54 1s6o n THR 18 Ca -0.24 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.59 1s6o n THR 18 Cb 0.57 -0.45 0.24 0.00 -2.10 0.00 0.00 70.33 68.59 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 0.90 -0.23 3.42 0.87 -1.97 0.38 113.55 116.92 1s6o h SER 19 Ca 0.00 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.61 1s6o h SER 19 Cb 0.00 -0.18 -0.07 0.00 -0.44 0.00 0.00 62.40 61.71 1s6o h SER 19 CO 0.00 0.56 -0.53 0.74 -0.53 0.00 0.00 176.83 177.07 1s6o h THR 20 N 1.02 0.00 -0.26 2.23 2.02 -1.97 0.21 112.91 116.16 1s6o h THR 20 Ca 0.41 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.63 1s6o h THR 20 Cb 0.27 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.64 1s6o h THR 20 CO -0.17 0.00 0.03 0.40 0.37 0.00 0.00 175.52 176.15 1s6o h ILE 21 N -0.49 0.85 0.14 3.11 5.03 -0.71 0.76 117.51 126.20 1s6o h ILE 21 Ca 0.05 -0.04 -0.01 0.00 -0.12 0.00 0.00 64.86 64.74 1s6o h ILE 21 Cb 0.62 0.72 -0.00 0.00 -3.03 0.00 0.00 36.82 35.13 1s6o h ILE 21 CO -0.48 0.02 -0.10 -0.33 -0.68 0.00 0.00 178.15 176.58 1s6o h GLU 22 N 0.12 -0.22 -0.66 2.37 5.08 -0.22 0.85 114.58 121.90 1s6o h GLU 22 Ca 0.12 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.64 1s6o h GLU 22 Cb 0.14 0.05 -0.12 0.00 0.50 0.00 0.00 28.75 29.32 1s6o h GLU 22 CO -0.18 -0.15 -0.08 0.78 -1.00 0.00 0.00 179.01 178.39 1s6o h GLY 23 N -0.23 0.61 0.82 -3.84 0.00 -0.62 0.31 103.07 100.12 1s6o h GLY 23 Ca -0.02 0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 1s6o h GLY 23 CO 0.01 -0.24 -0.22 1.70 0.00 0.00 0.00 176.54 177.79 1s6o h LYS 24 N 0.06 -0.59 -0.93 4.80 1.63 -0.73 -2.63 116.57 118.17 1s6o h LYS 24 Ca 0.34 0.04 0.19 0.00 -0.85 0.00 0.00 60.65 60.36 1s6o h LYS 24 Cb 0.55 0.13 -0.11 0.00 -0.60 0.00 0.00 32.23 32.20 1s6o h LYS 24 CO -0.62 -0.31 0.51 0.82 -3.45 0.00 0.00 179.45 176.40 1s6o h ILE 25 N -0.80 0.65 -0.19 2.00 1.08 -0.52 0.76 117.51 120.49 1s6o h ILE 25 Ca -0.06 -0.22 0.06 0.00 -0.39 0.00 0.00 64.86 64.25 1s6o h ILE 25 Cb 0.55 -0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 34.26 1s6o h ILE 25 CO 0.10 0.12 0.39 1.23 -0.69 0.00 0.00 178.15 179.30 1s6o h GLY 26 N 0.63 0.00 0.57 5.37 0.00 -0.02 0.10 103.07 109.72 1s6o h GLY 26 Ca 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.85 1s6o h GLY 26 CO -0.41 0.00 -1.48 0.28 0.00 0.00 0.00 176.54 174.93 1s6o n LYS 27 N -3.28 0.63 -2.12 4.80 5.02 0.24 -4.93 118.16 118.52 1s6o n LYS 27 Ca 0.02 -0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.90 1s6o n LYS 27 Cb 0.49 -1.69 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 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 -5.07 4.40 -0.24 -0.35 2.01 0.35 -4.90 118.68 114.87 1s6o s LEU 28 Ca -0.04 2.51 -0.34 0.00 0.01 0.00 0.00 54.13 56.27 1s6o s LEU 28 Cb 0.11 -3.61 -0.11 0.00 0.01 0.00 0.00 46.19 42.59 1s6o s LEU 28 CO 0.84 -0.61 2.08 0.00 1.01 0.00 0.00 176.35 179.66 1s6o n GLN 29 N 2.64 1.57 0.00 1.70 10.64 -1.26 -1.86 117.38 130.81 1s6o n GLN 29 Ca 0.07 0.49 0.00 0.00 -1.83 0.00 0.00 57.00 55.73 1s6o n GLN 29 Cb 0.42 -2.63 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 5.61 1.10 3.76 2.61 0.00 -1.26 -3.97 105.19 113.04 1s6o n GLY 30 Ca 0.33 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.39 3.67 -0.21 1.61 1.01 -0.78 -3.14 120.40 121.16 1s6o s VAL 31 Ca 0.00 1.65 0.00 0.00 0.00 0.00 0.00 61.98 63.63 1s6o s VAL 31 Cb 0.00 -4.04 -0.13 0.00 0.00 0.00 0.00 36.38 32.21 1s6o s VAL 31 CO 0.00 0.37 -0.20 0.00 0.00 0.00 0.00 175.10 175.27 1s6o n GLN 32 N 1.18 0.53 -3.57 2.72 1.13 -0.05 -4.95 117.38 114.37 1s6o n GLN 32 Ca -0.01 0.13 -0.10 0.00 -1.94 0.00 0.00 57.00 55.08 1s6o n GLN 32 Cb 0.46 -1.41 -0.02 0.00 0.11 0.00 0.00 30.24 29.37 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 -2.43 1.44 -0.02 -1.09 3.52 -1.20 -5.02 118.95 114.15 1s6o s ARG 33 Ca -0.29 -0.65 -0.11 0.00 -0.13 0.00 0.00 55.73 54.54 1s6o s ARG 33 Cb 0.08 0.59 0.01 0.00 -1.56 0.00 0.00 34.95 34.08 1s6o s ARG 33 CO 0.48 -0.64 0.24 -1.50 -0.81 0.00 0.00 175.30 173.07 1s6o s ILE 34 N -3.81 0.06 -0.26 4.11 2.07 -1.26 -0.65 121.20 121.46 1s6o s ILE 34 Ca 0.05 -0.50 -0.04 0.00 -1.41 0.00 0.00 60.65 58.75 1s6o s ILE 34 Cb -0.03 -0.51 0.09 0.00 0.13 0.00 0.00 42.46 42.15 1s6o s ILE 34 CO -0.06 -0.27 0.14 -0.54 -1.91 0.00 0.00 174.94 172.30 1s6o s LYS 35 N -1.17 0.18 -0.06 3.50 3.01 0.01 -4.99 119.74 120.22 1s6o s LYS 35 Ca -0.12 -0.35 -0.18 0.00 -1.01 0.00 0.00 55.97 54.31 1s6o s LYS 35 Cb -0.06 -1.25 -0.05 0.00 -1.01 0.00 0.00 37.83 35.46 1s6o s LYS 35 CO 0.03 -0.92 0.50 0.08 0.51 0.00 0.00 175.35 175.54 1s6o s VAL 36 N 2.15 5.07 -0.31 3.17 1.01 -1.26 -0.47 120.40 129.76 1s6o s VAL 36 Ca 0.07 1.02 0.03 0.00 0.00 0.00 0.00 61.98 63.10 1s6o s VAL 36 Cb -0.16 -3.83 0.09 0.00 0.00 0.00 0.00 36.38 32.48 1s6o s VAL 36 CO -0.29 0.40 0.02 -0.55 0.00 0.00 0.00 175.10 174.68 1s6o s SER 37 N 0.05 4.50 0.10 3.32 0.15 0.50 -4.98 113.70 117.34 1s6o s SER 37 Ca 0.27 -1.85 -0.33 0.00 0.70 0.00 0.00 55.95 54.74 1s6o s SER 37 Cb -0.16 -1.45 -0.13 0.00 -1.71 0.00 0.00 66.02 62.57 1s6o s SER 37 CO 0.13 -0.34 1.58 -0.07 1.20 0.00 0.00 173.24 175.74 1s6o h LEU 38 N 7.75 -1.27 -0.84 3.45 3.38 -1.95 0.11 115.31 125.93 1s6o h LEU 38 Ca -0.09 0.13 0.13 0.00 0.09 0.00 0.00 57.88 58.13 1s6o h LEU 38 Cb 1.03 0.46 -0.14 0.00 0.09 0.00 0.00 40.66 42.09 1s6o h LEU 38 CO 0.49 -0.55 -0.38 0.44 0.09 0.00 0.00 178.44 178.53 1s6o h ASP 39 N -0.77 -1.38 1.85 -0.43 5.19 -1.95 0.25 116.42 119.19 1s6o h ASP 39 Ca -0.01 0.28 0.00 0.00 -0.62 0.00 0.00 57.03 56.68 1s6o h ASP 39 Cb 0.74 0.70 0.00 0.00 0.18 0.00 0.00 39.33 40.95 1s6o h ASP 39 CO -0.18 -0.29 0.00 -1.13 -3.12 0.00 0.00 179.24 174.52 1s6o h ASN 40 N -0.07 0.00 -0.63 6.45 -0.73 -1.94 -3.46 115.58 115.20 1s6o h ASN 40 Ca 0.29 0.00 -0.27 0.00 1.87 0.00 0.00 56.30 58.19 1s6o h ASN 40 Cb 0.57 0.00 -0.11 0.00 0.27 0.00 0.00 38.32 39.06 1s6o h ASN 40 CO -0.87 0.00 -0.24 0.00 -0.37 0.00 0.00 177.43 175.95 1s6o n GLN 41 N -2.97 -1.07 -4.46 6.67 6.02 0.36 -4.97 117.38 116.95 1s6o n GLN 41 Ca 0.04 0.95 -0.23 0.00 -0.01 0.00 0.00 57.00 57.75 1s6o n GLN 41 Cb 0.50 -5.07 -0.10 0.00 1.02 0.00 0.00 30.24 26.59 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 -3.05 1.62 -0.13 -1.09 0.41 -1.03 -0.92 118.70 114.51 1s6o s GLU 42 Ca 0.00 -1.80 -0.09 0.00 -0.41 0.00 0.00 54.97 52.67 1s6o s GLU 42 Cb 0.00 -1.40 0.05 0.00 -1.78 0.00 0.00 34.13 30.99 1s6o s GLU 42 CO 0.00 0.13 0.33 0.00 -0.49 0.00 0.00 175.26 175.23 1s6o s ALA 43 N -2.82 -0.82 -0.46 5.21 0.00 0.12 -0.37 121.76 122.62 1s6o s ALA 43 Ca 0.30 1.15 -0.10 0.00 0.00 0.00 0.00 51.96 53.31 1s6o s ALA 43 Cb 0.02 -0.70 0.11 0.00 0.00 0.00 0.00 23.12 22.55 1s6o s ALA 43 CO 0.13 -0.21 0.34 0.99 0.00 0.00 0.00 175.76 177.01 1s6o s THR 44 N 0.91 4.26 0.52 0.00 2.01 0.38 -0.60 115.64 123.12 1s6o s THR 44 Ca -0.06 -1.70 -0.02 0.00 0.31 0.00 0.00 61.69 60.22 1s6o s THR 44 Cb -0.07 -3.77 0.01 0.00 0.01 0.00 0.00 72.50 68.68 1s6o s THR 44 CO -0.07 -0.73 0.77 -0.63 -0.69 0.00 0.00 174.62 173.28 1s6o s ILE 45 N 1.38 3.61 -0.04 1.82 1.01 0.65 -0.81 121.20 128.82 1s6o s ILE 45 Ca 0.05 -0.36 -0.02 0.00 0.00 0.00 0.00 60.65 60.32 1s6o s ILE 45 Cb -0.26 -3.38 0.03 0.00 0.01 0.00 0.00 42.46 38.87 1s6o s ILE 45 CO -0.00 -0.31 0.05 -0.69 0.00 0.00 0.00 174.94 174.00 1s6o s VAL 46 N -2.75 -0.07 0.34 2.92 1.01 0.17 -0.54 120.40 121.48 1s6o s VAL 46 Ca 0.52 0.40 -0.14 0.00 0.00 0.00 0.00 61.98 62.76 1s6o s VAL 46 Cb -0.10 -0.18 0.03 0.00 0.00 0.00 0.00 36.38 36.14 1s6o s VAL 46 CO 0.40 0.18 0.69 -0.72 0.00 0.00 0.00 175.10 175.66 1s6o s TYR 47 N 2.11 0.25 -0.02 5.22 -0.85 -0.31 -0.87 117.35 122.87 1s6o s TYR 47 Ca 0.04 -0.77 0.07 0.00 -0.52 0.00 0.00 57.07 55.89 1s6o s TYR 47 Cb -0.12 0.59 -0.02 0.00 0.38 0.00 0.00 41.96 42.80 1s6o s TYR 47 CO -0.03 -1.38 -0.22 1.14 -1.52 0.00 0.00 175.55 173.54 1s6o s GLN 48 N -2.92 1.82 -1.07 -3.49 -2.07 -1.19 -0.46 119.66 110.28 1s6o s GLN 48 Ca 0.18 -0.80 -0.23 0.00 -1.82 0.00 0.00 55.36 52.69 1s6o s GLN 48 Cb -0.04 -1.76 -0.07 0.00 -1.09 0.00 0.00 33.01 30.05 1s6o s GLN 48 CO 0.12 0.48 1.94 -1.25 -1.32 0.00 0.00 175.29 175.26 1s6o s PRO 49 N -0.52 2.50 0.26 9.60 0.04 -1.26 -3.38 135.00 142.23 1s6o s PRO 49 Ca 0.08 -0.82 0.00 0.00 0.04 0.00 0.00 61.00 60.30 1s6o s PRO 49 Cb -0.09 -5.17 0.00 0.00 0.04 0.00 0.00 34.50 29.28 1s6o s PRO 49 CO -0.01 -3.78 0.00 1.58 0.04 0.00 0.00 177.00 174.84 1s6o n HIS 50 N 14.32 -3.63 0.10 0.56 -0.00 -1.26 -4.91 115.22 120.41 1s6o n HIS 50 Ca 0.43 0.89 0.01 0.00 -0.00 0.00 0.00 57.72 59.05 1s6o n HIS 50 Cb 0.47 2.42 -0.02 0.00 -0.00 0.00 0.00 29.99 32.86 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 -9.37 0.27 3.38 -1.85 -3.46 115.31 104.28 1s6o h LEU 51 Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 1s6o h LEU 51 Cb 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.63 1s6o h LEU 51 CO 0.00 0.59 -0.70 -0.51 0.09 0.00 0.00 178.44 177.91 1s6o s ILE 52 N -2.91 2.71 -0.36 1.22 1.10 -1.25 -4.72 121.20 116.98 1s6o s ILE 52 Ca 0.02 -2.21 0.05 0.00 -0.51 0.00 0.00 60.65 58.00 1s6o s ILE 52 Cb 0.08 -2.54 0.50 0.00 0.15 0.00 0.00 42.46 40.66 1s6o s ILE 52 CO 0.77 -0.35 1.55 -1.20 -2.11 0.00 0.00 174.94 173.61 1s6o n SER 53 N -0.75 3.78 0.00 4.50 7.64 -1.26 -4.63 113.62 122.89 1s6o n SER 53 Ca -0.05 -2.97 0.00 0.00 1.01 0.00 0.00 58.87 56.86 1s6o n SER 53 Cb 0.60 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 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 -0.30 0.00 0.08 0.44 0.31 -1.26 -3.83 118.33 113.77 1s6o n VAL 54 Ca 0.34 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.56 1s6o n VAL 54 Cb 1.19 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.99 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 0.14 -0.59 5.55 4.57 -2.01 -3.36 114.58 118.88 1s6o h GLU 55 Ca 0.00 -0.23 0.12 0.00 -1.18 0.00 0.00 59.36 58.07 1s6o h GLU 55 Cb 0.00 0.09 -0.10 0.00 -0.16 0.00 0.00 28.75 28.57 1s6o h GLU 55 CO 0.00 1.11 -0.04 0.93 -1.18 0.00 0.00 179.01 179.83 1s6o h GLU 56 N 0.04 0.08 -0.67 1.92 4.39 -1.95 0.21 114.58 118.60 1s6o h GLU 56 Ca -0.07 -0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.74 1s6o h GLU 56 Cb 1.86 -0.02 -0.12 0.00 -0.10 0.00 0.00 28.75 30.37 1s6o h GLU 56 CO 0.17 0.05 -0.32 0.52 -1.16 0.00 0.00 179.01 178.27 1s6o h MET 57 N 0.08 -0.11 -0.14 2.33 2.86 -1.92 0.13 114.93 118.15 1s6o h MET 57 Ca 0.30 0.01 -0.18 0.00 -2.06 0.00 0.00 59.70 57.77 1s6o h MET 57 Cb 0.48 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 1s6o h MET 57 CO -0.53 -0.08 -0.66 -0.22 1.06 0.00 0.00 176.91 176.48 1s6o h LYS 58 N -0.12 0.56 -0.16 1.72 3.64 -1.15 -3.01 116.57 118.05 1s6o h LYS 58 Ca 0.27 -0.41 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1s6o h LYS 58 Cb 0.56 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 1s6o h LYS 58 CO -0.73 1.03 0.04 0.87 -2.27 0.00 0.00 179.45 178.38 1s6o h LYS 59 N 0.40 0.22 -0.36 1.90 6.56 0.24 -2.30 116.57 123.23 1s6o h LYS 59 Ca -0.02 -0.02 -0.07 0.00 -1.06 0.00 0.00 60.65 59.48 1s6o h LYS 59 Cb 1.23 -0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 32.83 1s6o h LYS 59 CO 0.12 0.21 -0.06 -0.56 -2.06 0.00 0.00 179.45 177.10 1s6o h GLN 60 N 0.22 0.58 -0.23 3.15 3.07 -0.63 -0.05 115.11 121.22 1s6o h GLN 60 Ca 0.05 -0.15 -0.01 0.00 0.09 0.00 0.00 58.65 58.63 1s6o h GLN 60 Cb 0.09 -0.07 -0.01 0.00 0.08 0.00 0.00 27.48 27.57 1s6o h GLN 60 CO -0.00 0.65 0.10 0.82 0.09 0.00 0.00 178.83 180.48 1s6o h ILE 61 N 0.55 1.16 -0.52 1.86 5.03 -1.47 -2.36 117.51 121.75 1s6o h ILE 61 Ca 0.11 -0.46 0.10 0.00 -0.12 0.00 0.00 64.86 64.49 1s6o h ILE 61 Cb 0.44 1.04 -0.09 0.00 -3.03 0.00 0.00 36.82 35.18 1s6o h ILE 61 CO 0.02 0.16 -0.02 -0.33 -0.68 0.00 0.00 178.15 177.30 1s6o h GLU 62 N 0.22 0.09 -0.03 2.37 5.08 -1.02 -0.17 114.58 121.12 1s6o h GLU 62 Ca 0.08 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1s6o h GLU 62 Cb 0.15 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1s6o h GLU 62 CO -0.01 0.06 0.10 0.00 -1.00 0.00 0.00 179.01 178.17 1s6o h ALA 63 N 1.48 1.28 0.00 3.43 0.00 -0.70 0.15 119.26 124.91 1s6o h ALA 63 Ca 0.26 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1s6o h ALA 63 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1s6o h ALA 63 CO -0.46 -0.12 -0.28 0.52 0.00 0.00 0.00 179.25 178.91 1s6o h MET 64 N 0.00 0.00 0.00 0.00 2.86 -0.50 -3.47 114.93 113.82 1s6o h MET 64 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1s6o h MET 64 Cb 0.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1s6o h MET 64 CO -0.00 0.28 0.00 0.41 1.06 0.00 0.00 176.91 178.66 1s6o n GLY 65 N -0.50 1.94 3.63 8.32 0.00 0.53 -5.10 105.19 114.01 1s6o n GLY 65 Ca -0.02 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.34 2.95 0.04 1.61 0.08 -1.24 -4.98 117.98 116.10 1s6o s PHE 66 Ca 0.00 1.04 -0.30 0.00 0.12 0.00 0.00 56.93 57.78 1s6o s PHE 66 Cb 0.00 -3.82 -0.08 0.00 -0.57 0.00 0.00 43.02 38.55 1s6o s PHE 66 CO 0.00 -1.17 1.83 -1.25 -0.10 0.00 0.00 175.22 174.53 1s6o s PRO 67 N 3.89 4.16 0.21 0.24 0.04 -1.26 -3.71 135.00 138.57 1s6o s PRO 67 Ca 0.50 2.49 0.04 0.00 0.04 0.00 0.00 61.00 64.06 1s6o s PRO 67 Cb -0.14 -3.93 -0.05 0.00 0.04 0.00 0.00 34.50 30.43 1s6o s PRO 67 CO 0.19 -0.88 -0.04 0.00 0.04 0.00 0.00 177.00 176.32 1s6o s ALA 68 N 3.75 1.73 -0.15 8.56 0.00 -1.26 -3.07 121.76 131.33 1s6o s ALA 68 Ca 0.82 -1.69 -0.14 0.00 0.00 0.00 0.00 51.96 50.95 1s6o s ALA 68 Cb -0.41 0.33 0.04 0.00 0.00 0.00 0.00 23.12 23.08 1s6o s ALA 68 CO 0.37 -0.19 0.40 0.12 0.00 0.00 0.00 175.76 176.46 1s6o s PHE 69 N -3.37 -0.44 -0.15 0.00 2.19 -0.12 -4.79 117.98 111.29 1s6o s PHE 69 Ca 0.25 1.07 -0.19 0.00 0.33 0.00 0.00 56.93 58.39 1s6o s PHE 69 Cb 0.04 0.15 -0.04 0.00 -1.31 0.00 0.00 43.02 41.87 1s6o s PHE 69 CO 0.06 -0.22 0.51 0.08 1.83 0.00 0.00 175.22 177.48 1s6o s VAL 70 N 0.16 5.14 -0.10 3.12 1.01 -1.26 0.33 120.40 128.80 1s6o s VAL 70 Ca -0.00 0.98 -0.10 0.00 0.00 0.00 0.00 61.98 62.85 1s6o s VAL 70 Cb -0.03 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 1s6o s VAL 70 CO 0.01 0.25 -0.19 0.29 0.00 0.00 0.00 175.10 175.46 1s6o n LYS 71 N 4.21 0.29 -2.58 2.72 5.02 -0.44 -4.88 118.16 122.50 1s6o n LYS 71 Ca -0.06 0.12 -0.22 0.00 -2.02 0.00 0.00 58.31 56.13 1s6o n LYS 71 Cb 0.51 -1.01 0.04 0.00 -0.02 0.00 0.00 35.03 34.56 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 -2.06 2.45 0.30 1.97 2.20 0.08 -4.97 119.74 119.71 1s6o s LYS 72 Ca -0.16 -0.74 0.04 0.00 -0.36 0.00 0.00 55.97 54.75 1s6o s LYS 72 Cb 0.02 -2.44 -0.03 0.00 -1.51 0.00 0.00 37.83 33.88 1s6o s LYS 72 CO 0.24 -0.82 0.29 0.96 -0.36 0.00 0.00 175.35 175.65 1s6o s ILE 73 N -2.84 0.00 1.04 5.43 -4.36 -1.26 -4.14 121.20 115.06 1s6o s ILE 73 Ca 0.58 -1.92 -0.16 0.00 -0.26 0.00 0.00 60.65 58.89 1s6o s ILE 73 Cb -0.10 -2.52 0.22 0.00 1.25 0.00 0.00 42.46 41.31 1s6o s ILE 73 CO 0.39 0.00 1.21 -1.83 0.24 0.00 0.00 174.94 174.95 1s6o s GLU 74 N -3.53 0.08 0.00 0.37 1.03 -1.26 -4.64 118.70 110.75 1s6o s GLU 74 Ca 0.38 -0.15 0.00 0.00 0.03 0.00 0.00 54.97 55.23 1s6o s GLU 74 Cb 0.03 -1.76 0.00 0.00 -0.80 0.00 0.00 34.13 31.60 1s6o s GLU 74 CO 0.23 -2.83 0.00 0.41 -1.33 0.00 0.00 175.26 171.74 1s6o n GLY 75 N -2.46 0.75 0.42 -3.83 0.00 -1.26 -5.09 105.19 93.71 1s6o n GLY 75 Ca 0.13 -2.20 0.05 0.00 0.00 0.00 0.00 46.02 44.00 1s6o n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86