#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 -0.01 1.61 4.04 -1.26 -4.21 118.70 123.04 1s6o s GLU 2 Ca 0.00 2.40 -0.09 0.00 0.04 0.00 0.00 54.97 57.33 1s6o s GLU 2 Cb 0.00 -3.85 0.01 0.00 0.02 0.00 0.00 34.13 30.30 1s6o s GLU 2 CO 0.00 -0.84 0.17 0.08 -1.84 0.00 0.00 175.26 172.84 1s6o s VAL 3 N 3.52 0.07 0.02 1.83 1.01 0.07 -4.95 120.40 121.97 1s6o s VAL 3 Ca 0.79 -0.58 -0.24 0.00 0.00 0.00 0.00 61.98 61.94 1s6o s VAL 3 Cb -0.40 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 1s6o s VAL 3 CO 0.34 -0.32 0.74 -0.69 0.00 0.00 0.00 175.10 175.18 1s6o s VAL 4 N -1.21 4.80 0.06 2.92 1.01 -1.26 -2.10 120.40 124.62 1s6o s VAL 4 Ca -0.13 1.57 0.08 0.00 0.00 0.00 0.00 61.98 63.50 1s6o s VAL 4 Cb -0.07 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 1s6o s VAL 4 CO 0.02 0.34 -0.22 -0.22 0.00 0.00 0.00 175.10 175.03 1s6o s LEU 5 N 0.10 2.20 -0.30 3.92 0.20 0.43 -4.70 118.68 120.54 1s6o s LEU 5 Ca 0.38 -0.58 -0.06 0.00 0.69 0.00 0.00 54.13 54.57 1s6o s LEU 5 Cb -0.20 -1.00 0.02 0.00 -0.43 0.00 0.00 46.19 44.58 1s6o s LEU 5 CO 0.22 0.15 0.06 -0.75 -0.29 0.00 0.00 176.35 175.74 1s6o s LYS 6 N -1.38 2.94 -0.14 1.98 2.47 -1.26 -0.98 119.74 123.36 1s6o s LYS 6 Ca 0.08 -0.95 -0.03 0.00 -1.56 0.00 0.00 55.97 53.51 1s6o s LYS 6 Cb -0.09 -3.32 -0.03 0.00 -1.46 0.00 0.00 37.83 32.93 1s6o s LYS 6 CO 0.03 -0.48 -0.04 -1.64 0.16 0.00 0.00 175.35 173.37 1s6o s MET 7 N 1.45 3.54 -0.23 4.03 -1.94 -0.07 -1.33 119.30 124.75 1s6o s MET 7 Ca 0.01 -0.52 -0.29 0.00 -1.71 0.00 0.00 55.69 53.18 1s6o s MET 7 Cb -0.18 -2.87 0.00 0.00 2.01 0.00 0.00 34.83 33.80 1s6o s MET 7 CO 0.01 0.31 1.13 0.15 -0.01 0.00 0.00 175.02 176.62 1s6o s LYS 8 N 0.17 4.20 -0.69 2.03 -0.14 0.81 -0.27 119.74 125.84 1s6o s LYS 8 Ca -0.02 1.40 0.01 0.00 -1.36 0.00 0.00 55.97 56.00 1s6o s LYS 8 Cb -0.14 -3.71 0.17 0.00 -1.68 0.00 0.00 37.83 32.47 1s6o s LYS 8 CO 0.03 -0.73 0.50 0.08 -0.76 0.00 0.00 175.35 174.47 1s6o s VAL 9 N 3.45 3.43 0.33 3.17 1.01 -1.26 -0.37 120.40 130.17 1s6o s VAL 9 Ca 0.48 -3.61 0.05 0.00 0.00 0.00 0.00 61.98 58.89 1s6o s VAL 9 Cb -0.17 -3.23 0.06 0.00 0.00 0.00 0.00 36.38 33.04 1s6o s VAL 9 CO 0.11 -0.95 0.46 -0.62 0.00 0.00 0.00 175.10 174.11 1s6o n GLU 10 N 2.72 0.69 0.00 2.72 1.02 -1.25 -4.57 120.64 121.97 1s6o n GLU 10 Ca 0.14 -1.69 0.00 0.00 -0.02 0.00 0.00 57.16 55.58 1s6o n GLU 10 Cb 0.36 -0.17 0.00 0.00 -0.02 0.00 0.00 31.44 31.61 1s6o n GLU 10 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s6o n GLY 11 N 1.04 1.03 3.60 0.62 0.00 -1.26 -4.41 105.19 105.80 1s6o n GLY 11 Ca 0.09 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.61 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 1.30 -0.21 1.61 2.81 -1.26 -4.88 117.12 116.49 1s6o n MET 12 Ca 0.00 0.47 -0.11 0.00 -1.81 0.00 0.00 57.70 56.25 1s6o n MET 12 Cb 0.00 -2.10 -0.07 0.00 -0.71 0.00 0.00 33.22 30.33 1s6o n MET 12 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1s6o h THR 13 N 3.25 0.03 0.00 2.03 1.03 -1.92 -3.45 112.91 113.87 1s6o h THR 13 Ca -0.47 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.93 1s6o h THR 13 Cb 1.32 0.03 0.00 0.00 -1.07 0.00 0.00 68.15 68.44 1s6o h THR 13 CO 0.78 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 176.29 1s6o n HIS 15 N 0.00 -0.97 -2.76 0.00 1.44 -1.26 -4.76 115.22 106.91 1s6o n HIS 15 Ca 0.00 0.54 -0.01 0.00 -2.01 0.00 0.00 57.72 56.24 1s6o n HIS 15 Cb 0.00 -1.79 0.07 0.00 0.12 0.00 0.00 29.99 28.40 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 -2.01 0.51 -2.67 4.39 2.88 -1.26 -4.91 113.62 110.55 1s6o n SER 16 Ca -0.04 -2.09 -0.05 0.00 -1.33 0.00 0.00 58.87 55.37 1s6o n SER 16 Cb 0.44 -0.08 0.07 0.00 -0.75 0.00 0.00 64.21 63.90 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 1.55 0.00 -0.32 0.00 -2.24 -1.26 -4.70 114.28 107.30 1s6o n THR 18 Ca 0.02 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.87 1s6o n THR 18 Cb 0.70 -0.66 0.28 0.00 -2.10 0.00 0.00 70.33 68.55 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 0.85 -0.10 3.42 0.02 -1.98 0.49 113.55 116.26 1s6o h SER 19 Ca 0.00 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.01 1s6o h SER 19 Cb 0.00 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.35 1s6o h SER 19 CO 0.00 0.47 -0.50 0.74 -1.14 0.00 0.00 176.83 176.40 1s6o h THR 20 N 0.93 0.00 -0.11 -2.27 2.02 -1.98 0.13 112.91 111.63 1s6o h THR 20 Ca 0.46 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.67 1s6o h THR 20 Cb 0.48 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 1s6o h THR 20 CO -0.22 0.00 -0.07 0.40 0.37 0.00 0.00 175.52 176.00 1s6o h ILE 21 N -0.55 0.80 0.57 3.11 5.03 -0.46 0.70 117.51 126.71 1s6o h ILE 21 Ca 0.03 0.00 -0.03 0.00 -0.12 0.00 0.00 64.86 64.74 1s6o h ILE 21 Cb 0.63 0.80 0.00 0.00 -3.03 0.00 0.00 36.82 35.22 1s6o h ILE 21 CO -0.39 0.00 -0.32 -0.33 -0.68 0.00 0.00 178.15 176.43 1s6o h GLU 22 N -0.07 -0.80 -0.54 2.37 5.08 -0.41 0.17 114.58 120.39 1s6o h GLU 22 Ca 0.06 0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.56 1s6o h GLU 22 Cb 0.16 0.18 -0.10 0.00 0.50 0.00 0.00 28.75 29.49 1s6o h GLU 22 CO -0.15 -0.53 -0.43 0.78 -1.00 0.00 0.00 179.01 177.68 1s6o h GLY 23 N -0.83 -0.48 0.71 -3.84 0.00 -0.79 0.21 103.07 98.06 1s6o h GLY 23 Ca -0.08 0.56 0.01 0.00 0.00 0.00 0.00 47.33 47.83 1s6o h GLY 23 CO 0.10 -0.16 -0.16 1.70 0.00 0.00 0.00 176.54 178.02 1s6o h LYS 24 N -0.25 -0.29 0.00 4.80 1.63 -0.67 -1.94 116.57 119.85 1s6o h LYS 24 Ca 0.17 0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.97 1s6o h LYS 24 Cb 0.57 0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.26 1s6o h LYS 24 CO -0.66 -0.20 -0.10 0.82 -3.45 0.00 0.00 179.45 175.87 1s6o h ILE 25 N -0.30 0.81 0.00 2.00 1.08 -0.26 -0.88 117.51 119.96 1s6o h ILE 25 Ca 0.03 -0.36 0.00 0.00 -0.39 0.00 0.00 64.86 64.13 1s6o h ILE 25 Cb 0.33 1.21 0.00 0.00 -3.07 0.00 0.00 36.82 35.29 1s6o h ILE 25 CO -0.09 0.09 0.31 1.23 -0.69 0.00 0.00 178.15 179.00 1s6o h GLY 26 N 0.42 0.00 1.42 5.37 0.00 0.24 0.14 103.07 110.66 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 -0.41 1.17 0.00 0.00 0.00 176.54 177.31 1s6o n LYS 27 N -2.89 0.25 -2.10 4.80 4.81 -0.33 -4.93 118.16 117.76 1s6o n LYS 27 Ca -0.02 0.11 -0.42 0.00 -0.87 0.00 0.00 58.31 57.11 1s6o n LYS 27 Cb 0.36 -1.70 -0.03 0.00 0.02 0.00 0.00 35.03 33.68 1s6o n LYS 27 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1s6o s LEU 28 N -4.15 4.39 -0.34 3.14 2.01 0.48 -4.90 118.68 119.30 1s6o s LEU 28 Ca 0.08 2.49 -0.29 0.00 0.01 0.00 0.00 54.13 56.43 1s6o s LEU 28 Cb 0.14 -3.60 -0.07 0.00 0.01 0.00 0.00 46.19 42.66 1s6o s LEU 28 CO 0.68 -0.66 2.29 0.00 1.01 0.00 0.00 176.35 179.66 1s6o n GLN 29 N 3.13 1.50 0.00 1.70 10.64 -1.26 -1.88 117.38 131.21 1s6o n GLN 29 Ca 0.09 0.33 0.00 0.00 -1.83 0.00 0.00 57.00 55.59 1s6o n GLN 29 Cb 0.41 -3.11 0.00 0.00 -0.86 0.00 0.00 30.24 26.68 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 6.00 1.77 3.70 2.61 0.00 -1.26 -3.58 105.19 114.42 1s6o n GLY 30 Ca 0.35 0.00 -0.42 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 -1.72 4.61 -0.21 1.61 1.01 -0.79 -3.50 120.40 121.40 1s6o s VAL 31 Ca 0.00 1.88 -0.21 0.00 0.00 0.00 0.00 61.98 63.64 1s6o s VAL 31 Cb 0.00 -4.20 -0.19 0.00 0.00 0.00 0.00 36.38 31.99 1s6o s VAL 31 CO 0.00 0.08 0.21 1.56 0.00 0.00 0.00 175.10 176.95 1s6o h GLN 32 N 6.99 0.00 -3.37 2.72 1.08 -1.12 -3.48 115.11 117.94 1s6o h GLN 32 Ca -0.37 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 56.78 1s6o h GLN 32 Cb 1.19 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 28.49 1s6o h GLN 32 CO 0.81 0.97 -0.04 0.50 -0.95 0.00 0.00 178.83 180.12 1s6o s ARG 33 N -2.36 1.14 -0.02 1.46 3.52 -1.16 -4.99 118.95 116.54 1s6o s ARG 33 Ca -0.28 -0.73 -0.02 0.00 -0.13 0.00 0.00 55.73 54.56 1s6o s ARG 33 Cb 0.06 0.48 0.00 0.00 -1.56 0.00 0.00 34.95 33.93 1s6o s ARG 33 CO 0.58 -0.45 0.06 -1.50 -0.81 0.00 0.00 175.30 173.18 1s6o s ILE 34 N -3.82 0.02 -0.18 4.11 2.07 -1.26 -0.86 121.20 121.29 1s6o s ILE 34 Ca 0.04 -0.19 -0.04 0.00 -1.41 0.00 0.00 60.65 59.05 1s6o s ILE 34 Cb 0.01 -0.15 0.08 0.00 0.13 0.00 0.00 42.46 42.54 1s6o s ILE 34 CO -0.10 -0.10 0.23 -0.75 -1.91 0.00 0.00 174.94 172.30 1s6o s LYS 35 N -0.30 0.17 -0.57 3.50 2.36 -0.19 -5.00 119.74 119.71 1s6o s LYS 35 Ca -0.04 0.36 -0.02 0.00 -2.55 0.00 0.00 55.97 53.72 1s6o s LYS 35 Cb -0.02 -0.84 0.15 0.00 -1.05 0.00 0.00 37.83 36.06 1s6o s LYS 35 CO 0.00 -0.54 0.38 0.08 1.55 0.00 0.00 175.35 176.82 1s6o s VAL 36 N 2.35 3.57 -1.30 4.02 1.01 -1.26 -0.48 120.40 128.30 1s6o s VAL 36 Ca 0.06 -2.79 -0.16 0.00 0.00 0.00 0.00 61.98 59.08 1s6o s VAL 36 Cb -0.15 -3.36 0.09 0.00 0.00 0.00 0.00 36.38 32.97 1s6o s VAL 36 CO -0.11 -0.83 1.74 -1.20 0.00 0.00 0.00 175.10 174.70 1s6o n SER 37 N 3.70 4.88 -0.31 3.32 7.64 -0.54 -4.81 113.62 127.49 1s6o n SER 37 Ca 0.06 -2.93 0.14 0.00 1.01 0.00 0.00 58.87 57.15 1s6o n SER 37 Cb 0.38 -1.70 0.32 0.00 -1.01 0.00 0.00 64.21 62.21 1s6o n SER 37 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1s6o h LEU 38 N 11.60 0.42 -0.85 -3.43 7.12 -1.93 0.32 115.31 128.55 1s6o h LEU 38 Ca 0.44 0.15 0.16 0.00 0.13 0.00 0.00 57.88 58.75 1s6o h LEU 38 Cb 0.84 0.11 -0.15 0.00 -0.53 0.00 0.00 40.66 40.92 1s6o h LEU 38 CO 1.47 0.03 -0.29 0.44 -0.13 0.00 0.00 178.44 179.96 1s6o h ASP 39 N 0.45 -1.04 1.28 1.25 5.19 -1.91 0.14 116.42 121.77 1s6o h ASP 39 Ca 0.58 0.27 0.00 0.00 -0.62 0.00 0.00 57.03 57.26 1s6o h ASP 39 Cb 1.09 0.61 0.00 0.00 0.18 0.00 0.00 39.33 41.21 1s6o h ASP 39 CO -0.51 -0.29 -0.08 -3.20 -3.12 0.00 0.00 179.24 172.03 1s6o n ASN 40 N -5.51 0.63 -2.43 6.45 2.85 0.95 -4.91 115.26 113.29 1s6o n ASN 40 Ca 0.11 0.49 -0.18 0.00 -0.11 0.00 0.00 54.58 54.89 1s6o n ASN 40 Cb 0.41 -0.60 0.03 0.00 1.24 0.00 0.00 39.78 40.86 1s6o n ASN 40 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1s6o n GLN 41 N -2.07 -3.84 -3.65 1.20 6.02 0.48 -4.98 117.38 110.56 1s6o n GLN 41 Ca 0.06 0.73 -0.15 0.00 -0.01 0.00 0.00 57.00 57.63 1s6o n GLN 41 Cb 0.41 -5.21 -0.08 0.00 1.02 0.00 0.00 30.24 26.39 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 -5.44 0.78 0.14 -1.09 -6.30 -1.09 -4.01 118.70 101.69 1s6o s GLU 42 Ca 0.23 0.49 0.05 0.00 -2.50 0.00 0.00 54.97 53.24 1s6o s GLU 42 Cb -0.10 0.37 -0.04 0.00 0.00 0.00 0.00 34.13 34.36 1s6o s GLU 42 CO 0.29 -0.17 -0.12 0.00 0.02 0.00 0.00 175.26 175.28 1s6o s ALA 43 N -0.38 1.49 -0.04 6.30 0.00 0.63 -1.47 121.76 128.29 1s6o s ALA 43 Ca -0.05 -1.42 -0.02 0.00 0.00 0.00 0.00 51.96 50.47 1s6o s ALA 43 Cb -0.03 -0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.11 1s6o s ALA 43 CO 0.04 -0.01 0.05 0.99 0.00 0.00 0.00 175.76 176.83 1s6o s THR 44 N -2.84 -0.05 0.26 0.00 2.01 0.36 -0.89 115.64 114.50 1s6o s THR 44 Ca 0.14 0.37 0.08 0.00 0.31 0.00 0.00 61.69 62.59 1s6o s THR 44 Cb -0.01 -0.19 -0.05 0.00 0.01 0.00 0.00 72.50 72.26 1s6o s THR 44 CO 0.02 0.18 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.40 1s6o s ILE 45 N 2.04 1.81 -0.06 1.82 1.01 -0.16 -1.02 121.20 126.63 1s6o s ILE 45 Ca 0.04 -2.19 0.01 0.00 0.00 0.00 0.00 60.65 58.51 1s6o s ILE 45 Cb -0.12 -2.33 0.02 0.00 0.01 0.00 0.00 42.46 40.04 1s6o s ILE 45 CO -0.03 -0.39 -0.06 0.54 0.00 0.00 0.00 174.94 175.00 1s6o s VAL 46 N -2.92 0.70 0.36 2.92 0.11 -0.04 -0.43 120.40 121.11 1s6o s VAL 46 Ca 0.28 -0.18 -0.12 0.00 -2.93 0.00 0.00 61.98 59.03 1s6o s VAL 46 Cb 0.01 -0.71 0.03 0.00 -1.53 0.00 0.00 36.38 34.19 1s6o s VAL 46 CO 0.11 0.27 0.67 -0.72 -3.33 0.00 0.00 175.10 172.11 1s6o s TYR 47 N 1.09 0.42 0.01 1.54 -0.85 -0.89 -0.49 117.35 118.18 1s6o s TYR 47 Ca -0.08 -0.93 0.06 0.00 -0.52 0.00 0.00 57.07 55.60 1s6o s TYR 47 Cb -0.14 0.51 -0.02 0.00 0.38 0.00 0.00 41.96 42.69 1s6o s TYR 47 CO -0.01 -1.40 -0.18 1.14 -1.52 0.00 0.00 175.55 173.58 1s6o s GLN 48 N -2.69 1.36 -1.01 -3.49 -2.07 -1.23 -0.75 119.66 109.78 1s6o s GLN 48 Ca 0.20 -0.76 -0.20 0.00 -1.82 0.00 0.00 55.36 52.79 1s6o s GLN 48 Cb -0.03 -1.37 -0.09 0.00 -1.09 0.00 0.00 33.01 30.42 1s6o s GLN 48 CO 0.14 0.36 1.98 -0.35 -1.32 0.00 0.00 175.29 176.10 1s6o n PRO 49 N 2.27 1.90 0.13 9.60 -0.04 -1.26 -3.56 135.00 144.04 1s6o n PRO 49 Ca -0.16 -2.18 0.00 0.00 -0.04 0.00 0.00 63.50 61.12 1s6o n PRO 49 Cb 0.54 -3.15 0.00 0.00 -0.04 0.00 0.00 33.50 30.85 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 8.27 -2.66 0.07 0.54 8.25 -1.26 -4.91 115.22 123.52 1s6o n HIS 50 Ca 0.49 0.63 -0.09 0.00 -0.26 0.00 0.00 57.72 58.50 1s6o n HIS 50 Cb 0.41 1.50 -0.12 0.00 1.12 0.00 0.00 29.99 32.90 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 0.09 -8.80 2.41 4.07 -1.83 -3.45 115.31 107.80 1s6o h LEU 51 Ca 0.00 -0.10 -0.69 0.00 0.08 0.00 0.00 57.88 57.17 1s6o h LEU 51 Cb 0.00 -0.03 -0.25 0.00 1.08 0.00 0.00 40.66 41.46 1s6o h LEU 51 CO 0.00 1.08 -0.86 -0.51 -1.08 0.00 0.00 178.44 177.07 1s6o s ILE 52 N -2.69 2.36 -0.24 1.22 1.10 -1.24 -4.76 121.20 116.96 1s6o s ILE 52 Ca -0.00 -1.29 0.01 0.00 -0.51 0.00 0.00 60.65 58.86 1s6o s ILE 52 Cb 0.09 -1.94 0.07 0.00 0.15 0.00 0.00 42.46 40.84 1s6o s ILE 52 CO 0.83 0.38 0.99 -1.20 -2.11 0.00 0.00 174.94 173.83 1s6o n SER 53 N 1.78 2.72 0.00 4.50 7.64 -1.26 -4.41 113.62 124.58 1s6o n SER 53 Ca -0.17 -2.14 0.00 0.00 1.01 0.00 0.00 58.87 57.57 1s6o n SER 53 Cb 0.52 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 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 0.28 0.00 -0.03 0.44 0.31 -1.26 -3.77 118.33 114.30 1s6o n VAL 54 Ca 0.05 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.22 1s6o n VAL 54 Cb 0.56 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.43 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 0.79 -0.94 5.55 4.57 -2.01 -3.34 114.58 119.20 1s6o h GLU 55 Ca 0.00 -0.61 0.13 0.00 -1.18 0.00 0.00 59.36 57.70 1s6o h GLU 55 Cb 0.00 0.12 -0.14 0.00 -0.16 0.00 0.00 28.75 28.56 1s6o h GLU 55 CO 0.00 1.23 -0.45 0.93 -1.18 0.00 0.00 179.01 179.54 1s6o h GLU 56 N 0.56 -0.03 -0.89 1.92 4.39 -1.93 0.13 114.58 118.73 1s6o h GLU 56 Ca -0.04 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.74 1s6o h GLU 56 Cb 1.35 0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 29.90 1s6o h GLU 56 CO 0.15 -0.02 -0.52 -0.12 -1.16 0.00 0.00 179.01 177.34 1s6o n MET 57 N -5.41 -0.39 0.08 2.33 1.56 -1.25 -0.40 117.12 113.64 1s6o n MET 57 Ca 0.07 1.41 -0.04 0.00 -0.27 0.00 0.00 57.70 58.87 1s6o n MET 57 Cb 0.36 -2.07 0.16 0.00 2.15 0.00 0.00 33.22 33.82 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 0.28 0.00 2.12 3.11 -1.07 -2.52 116.57 118.48 1s6o h LYS 58 Ca 0.14 -0.16 -0.05 0.00 -2.81 0.00 0.00 60.65 57.78 1s6o h LYS 58 Cb 0.36 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.60 1s6o h LYS 58 CO -0.83 0.71 -0.22 0.87 -2.81 0.00 0.00 179.45 177.17 1s6o h LYS 59 N 0.22 0.00 -0.47 1.90 1.79 0.15 -0.85 116.57 119.31 1s6o h LYS 59 Ca 0.01 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 1s6o h LYS 59 Cb 0.96 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.59 1s6o h LYS 59 CO 0.08 0.22 0.18 1.96 -1.08 0.00 0.00 179.45 180.81 1s6o h GLN 60 N 0.00 0.70 -0.74 3.15 4.20 -0.37 -0.32 115.11 121.73 1s6o h GLN 60 Ca -0.00 -0.13 0.09 0.00 0.06 0.00 0.00 58.65 58.67 1s6o h GLN 60 Cb 0.39 -0.11 -0.07 0.00 0.30 0.00 0.00 27.48 27.99 1s6o h GLN 60 CO 0.03 0.64 0.39 0.82 -0.67 0.00 0.00 178.83 180.04 1s6o h ILE 61 N 0.61 0.88 0.09 2.54 2.04 -1.24 0.79 117.51 123.23 1s6o h ILE 61 Ca 0.16 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.80 1s6o h ILE 61 Cb 0.20 0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 36.40 1s6o h ILE 61 CO -0.01 0.12 -0.25 -0.33 0.00 0.00 0.00 178.15 177.68 1s6o h GLU 62 N 0.67 -0.42 -0.14 2.37 5.08 -0.46 -2.93 114.58 118.75 1s6o h GLU 62 Ca 0.36 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.79 1s6o h GLU 62 Cb 0.34 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1s6o h GLU 62 CO -0.25 -0.28 0.12 0.00 -1.00 0.00 0.00 179.01 177.61 1s6o h ALA 63 N 0.34 1.93 -0.65 3.43 0.00 0.13 0.87 119.26 125.31 1s6o h ALA 63 Ca 0.04 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.13 1s6o h ALA 63 Cb 0.47 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1s6o h ALA 63 CO -0.16 -0.20 0.51 0.52 0.00 0.00 0.00 179.25 179.92 1s6o h MET 64 N 0.00 0.00 0.00 0.00 2.86 -0.70 -3.45 114.93 113.65 1s6o h MET 64 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1s6o h MET 64 Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1s6o h MET 64 CO -0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 1s6o n GLY 65 N -1.63 1.00 3.09 8.32 0.00 0.23 -5.13 105.19 111.08 1s6o n GLY 65 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.00 -0.58 -0.28 1.61 0.08 -0.78 -5.00 117.98 111.03 1s6o s PHE 66 Ca 0.00 1.16 -0.28 0.00 0.12 0.00 0.00 56.93 57.93 1s6o s PHE 66 Cb 0.00 0.09 -0.03 0.00 -0.57 0.00 0.00 43.02 42.51 1s6o s PHE 66 CO 0.00 -0.43 1.99 -1.25 -0.10 0.00 0.00 175.22 175.43 1s6o s PRO 67 N 2.50 3.23 0.00 0.24 0.04 -1.26 -4.09 135.00 135.66 1s6o s PRO 67 Ca 0.01 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1s6o s PRO 67 Cb -0.12 -4.28 0.00 0.00 0.04 0.00 0.00 34.50 30.14 1s6o s PRO 67 CO -0.11 -1.98 0.00 0.00 0.04 0.00 0.00 177.00 174.96 1s6o n ALA 68 N 10.95 0.00 -3.52 8.56 0.00 -1.26 -3.75 120.51 131.49 1s6o n ALA 68 Ca 0.26 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.56 1s6o n ALA 68 Cb 0.46 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.86 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 0.25 -0.52 -0.16 0.00 0.08 0.50 -4.92 117.98 113.20 1s6o s PHE 69 Ca 0.00 0.77 -0.16 0.00 0.12 0.00 0.00 56.93 57.66 1s6o s PHE 69 Cb 0.00 0.46 -0.04 0.00 -0.57 0.00 0.00 43.02 42.86 1s6o s PHE 69 CO 0.00 -0.56 0.38 0.08 -0.10 0.00 0.00 175.22 175.02 1s6o s VAL 70 N -1.74 5.24 -0.03 -0.44 1.01 -1.26 -0.14 120.40 123.04 1s6o s VAL 70 Ca -0.05 0.71 -0.03 0.00 0.00 0.00 0.00 61.98 62.62 1s6o s VAL 70 Cb -0.00 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 1s6o s VAL 70 CO 0.02 0.32 -0.05 0.29 0.00 0.00 0.00 175.10 175.68 1s6o n LYS 71 N 3.93 0.08 -2.39 2.72 5.02 -0.44 -4.87 118.16 122.20 1s6o n LYS 71 Ca -0.09 0.07 -0.25 0.00 -2.02 0.00 0.00 58.31 56.01 1s6o n LYS 71 Cb 0.51 -0.67 0.11 0.00 -0.02 0.00 0.00 35.03 34.96 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 -1.28 1.67 0.36 1.97 2.20 -0.88 -4.97 119.74 118.81 1s6o s LYS 72 Ca -0.04 -0.78 -0.13 0.00 -0.36 0.00 0.00 55.97 54.66 1s6o s LYS 72 Cb 0.01 -2.22 0.04 0.00 -1.51 0.00 0.00 37.83 34.14 1s6o s LYS 72 CO 0.06 -1.52 0.70 -1.50 -0.36 0.00 0.00 175.35 172.73 1s6o s ILE 73 N -3.27 0.00 0.36 5.43 2.07 -1.26 -4.37 121.20 120.17 1s6o s ILE 73 Ca 0.66 -1.16 -0.26 0.00 -1.41 0.00 0.00 60.65 58.48 1s6o s ILE 73 Cb -0.07 -2.70 -0.09 0.00 0.13 0.00 0.00 42.46 39.73 1s6o s ILE 73 CO 0.45 0.00 1.13 -0.70 -1.91 0.00 0.00 174.94 173.91 1s6o s GLU 74 N -2.73 4.26 0.00 3.50 -6.30 -1.26 -4.83 118.70 111.34 1s6o s GLU 74 Ca 0.19 1.76 0.00 0.00 -2.50 0.00 0.00 54.97 54.42 1s6o s GLU 74 Cb -0.04 -2.81 0.00 0.00 0.00 0.00 0.00 34.13 31.29 1s6o s GLU 74 CO 0.13 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.70 1s6o n GLY 75 N 0.72 -1.31 0.00 -1.50 0.00 -1.26 -5.12 105.19 96.72 1s6o n GLY 75 Ca 0.03 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1s6o n GLY 75 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36