#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bf8 s ILE 22 N 0.00 -0.01 0.20 -0.72 -1.09 -0.33 -4.93 121.20 114.31 2bf8 s ILE 22 Ca 0.00 0.05 -0.30 0.00 -2.23 0.00 0.00 60.65 58.17 2bf8 s ILE 22 Cb 0.00 -0.70 -0.08 0.00 -1.58 0.00 0.00 42.46 40.10 2bf8 s ILE 22 CO 0.00 0.02 1.14 -0.75 -1.23 0.00 0.00 174.94 174.12 2bf8 s LYS 23 N 1.10 4.56 -0.02 2.79 2.47 -1.26 -1.48 119.74 127.90 2bf8 s LYS 23 Ca -0.07 1.80 0.01 0.00 -1.56 0.00 0.00 55.97 56.15 2bf8 s LYS 23 Cb -0.06 -3.25 0.02 0.00 -1.46 0.00 0.00 37.83 33.08 2bf8 s LYS 23 CO -0.10 0.02 -0.01 -0.51 0.16 0.00 0.00 175.35 174.91 2bf8 s LEU 24 N -0.49 1.42 -0.20 5.43 1.43 0.08 -1.88 118.68 124.48 2bf8 s LEU 24 Ca 0.50 -0.04 -0.14 0.00 -1.03 0.00 0.00 54.13 53.42 2bf8 s LEU 24 Cb -0.31 -0.21 -0.04 0.00 0.03 0.00 0.00 46.19 45.66 2bf8 s LEU 24 CO 0.37 -0.06 0.32 -0.54 0.23 0.00 0.00 176.35 176.67 2bf8 s LYS 25 N 0.69 4.18 -0.26 1.70 1.02 -0.46 -1.29 119.74 125.32 2bf8 s LYS 25 Ca -0.07 0.08 -0.09 0.00 0.02 0.00 0.00 55.97 55.90 2bf8 s LYS 25 Cb -0.10 -3.50 -0.04 0.00 -0.52 0.00 0.00 37.83 33.66 2bf8 s LYS 25 CO -0.01 0.06 0.13 0.08 -0.92 0.00 0.00 175.35 174.69 2bf8 s VAL 26 N 1.01 4.88 -0.19 3.17 1.01 0.16 0.07 120.40 130.52 2bf8 s VAL 26 Ca 0.16 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 2bf8 s VAL 26 Cb -0.14 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 2bf8 s VAL 26 CO 0.06 0.30 -0.08 -0.63 0.00 0.00 0.00 175.10 174.75 2bf8 s ILE 27 N 1.59 3.18 0.62 2.22 -1.09 -0.22 -1.54 121.20 125.95 2bf8 s ILE 27 Ca 0.07 -0.57 0.05 0.00 -2.23 0.00 0.00 60.65 57.96 2bf8 s ILE 27 Cb -0.15 -2.41 0.10 0.00 -1.58 0.00 0.00 42.46 38.41 2bf8 s ILE 27 CO 0.07 0.46 0.85 -0.83 -1.23 0.00 0.00 174.94 174.27 2bf8 s GLY 28 N 1.16 1.76 0.42 6.18 0.00 -1.10 -1.90 107.32 113.84 2bf8 s GLY 28 Ca 0.02 -1.93 0.18 0.00 0.00 0.00 0.00 44.72 42.99 2bf8 s GLY 28 CO -0.02 -1.45 1.88 -1.61 0.00 0.00 0.00 173.10 171.90 2bf8 h GLN 29 N -0.07 0.00 0.00 2.90 5.75 -1.93 0.18 115.11 121.95 2bf8 h GLN 29 Ca -0.33 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.15 2bf8 h GLN 29 Cb 1.28 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.83 2bf8 h GLN 29 CO 0.41 0.29 -0.05 0.38 -2.65 0.00 0.00 178.83 177.21 2bf8 h ASP 30 N 0.00 0.00 0.00 -0.69 3.04 -1.97 -3.46 116.42 113.35 2bf8 h ASP 30 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2bf8 h ASP 30 Cb 0.62 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.91 2bf8 h ASP 30 CO 0.04 0.05 0.00 -1.20 -2.04 0.00 0.00 179.24 176.09 2bf8 n SER 31 N -3.66 -0.94 -4.76 4.15 7.64 0.63 -5.07 113.62 111.60 2bf8 n SER 31 Ca -0.02 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.47 2bf8 n SER 31 Cb 0.16 -0.16 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 2bf8 n SER 31 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2bf8 s SER 32 N -2.25 5.68 -0.26 6.43 1.04 -1.26 -4.83 113.70 118.26 2bf8 s SER 32 Ca 0.00 2.67 -0.02 0.00 0.48 0.00 0.00 55.95 59.09 2bf8 s SER 32 Cb 0.00 -2.63 0.08 0.00 0.10 0.00 0.00 66.02 63.57 2bf8 s SER 32 CO 0.00 -1.28 0.07 -1.61 0.98 0.00 0.00 173.24 171.40 2bf8 s GLU 33 N -2.71 0.71 -0.12 4.02 2.02 -1.26 -2.69 118.70 118.66 2bf8 s GLU 33 Ca 0.66 -0.79 -0.00 0.00 0.02 0.00 0.00 54.97 54.86 2bf8 s GLU 33 Cb -0.38 -2.00 -0.02 0.00 0.10 0.00 0.00 34.13 31.83 2bf8 s GLU 33 CO 0.46 -0.84 -0.12 0.42 0.02 0.00 0.00 175.26 175.20 2bf8 s ILE 34 N 1.73 3.19 -0.04 -1.63 1.01 -0.59 -4.90 121.20 119.96 2bf8 s ILE 34 Ca 0.05 -0.62 -0.08 0.00 0.00 0.00 0.00 60.65 60.00 2bf8 s ILE 34 Cb -0.17 -2.34 -0.05 0.00 0.01 0.00 0.00 42.46 39.91 2bf8 s ILE 34 CO -0.19 0.53 0.24 -1.00 0.00 0.00 0.00 174.94 174.52 2bf8 s HIS 35 N 0.22 3.61 -0.03 3.97 3.76 -1.26 -0.66 115.29 124.90 2bf8 s HIS 35 Ca -0.07 0.62 0.02 0.00 -0.15 0.00 0.00 55.06 55.47 2bf8 s HIS 35 Cb -0.15 -2.01 0.01 0.00 1.11 0.00 0.00 32.58 31.54 2bf8 s HIS 35 CO 0.05 0.67 -0.06 -0.06 -0.85 0.00 0.00 174.74 174.49 2bf8 s PHE 36 N -1.16 0.75 -0.20 1.40 0.40 -0.41 -4.97 117.98 113.79 2bf8 s PHE 36 Ca 0.22 -0.19 -0.29 0.00 -0.60 0.00 0.00 56.93 56.07 2bf8 s PHE 36 Cb -0.13 -0.59 0.00 0.00 0.51 0.00 0.00 43.02 42.81 2bf8 s PHE 36 CO 0.11 -0.12 1.04 0.21 0.70 0.00 0.00 175.22 177.16 2bf8 s LYS 37 N 0.47 4.30 -0.01 0.44 2.20 -1.26 -0.74 119.74 125.13 2bf8 s LYS 37 Ca -0.06 1.38 0.02 0.00 -0.36 0.00 0.00 55.97 56.95 2bf8 s LYS 37 Cb -0.10 -3.62 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 2bf8 s LYS 37 CO 0.00 -0.56 -0.07 0.14 -0.36 0.00 0.00 175.35 174.51 2bf8 s VAL 38 N 2.92 0.58 0.34 4.02 -7.23 -0.55 -4.93 120.40 115.55 2bf8 s VAL 38 Ca 0.46 -0.27 -0.27 0.00 -1.81 0.00 0.00 61.98 60.08 2bf8 s VAL 38 Cb -0.16 -0.51 -0.09 0.00 0.56 0.00 0.00 36.38 36.17 2bf8 s VAL 38 CO 0.09 0.18 1.06 -0.75 -0.31 0.00 0.00 175.10 175.38 2bf8 s LYS 39 N 0.08 4.42 0.19 4.82 2.20 -1.26 -1.19 119.74 128.99 2bf8 s LYS 39 Ca -0.01 1.63 -0.08 0.00 -0.36 0.00 0.00 55.97 57.15 2bf8 s LYS 39 Cb -0.06 -2.86 0.09 0.00 -1.51 0.00 0.00 37.83 33.49 2bf8 s LYS 39 CO -0.00 0.06 1.64 1.98 -0.36 0.00 0.00 175.35 178.67 2bf8 h MET 40 N 3.17 1.03 -2.05 4.03 1.85 -1.96 -3.18 114.93 117.83 2bf8 h MET 40 Ca -0.47 -0.34 -0.69 0.00 -0.61 0.00 0.00 59.70 57.58 2bf8 h MET 40 Cb 1.21 -0.09 -0.35 0.00 0.43 0.00 0.00 31.60 32.81 2bf8 h MET 40 CO 0.65 1.03 0.18 2.41 -0.40 0.00 0.00 176.91 180.78 2bf8 n THR 41 N -4.17 3.89 -3.78 -0.77 -1.04 -1.26 0.47 114.28 107.62 2bf8 n THR 41 Ca 0.02 -5.28 -0.13 0.00 -2.04 0.00 0.00 64.05 56.63 2bf8 n THR 41 Cb 0.37 -1.38 -0.12 0.00 -1.82 0.00 0.00 70.33 67.38 2bf8 n THR 41 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2bf8 s THR 42 N -4.81 -0.01 0.15 12.58 2.01 -1.20 -5.05 115.64 119.31 2bf8 s THR 42 Ca 0.47 0.04 -0.34 0.00 0.31 0.00 0.00 61.69 62.16 2bf8 s THR 42 Cb 0.32 -0.32 -0.16 0.00 0.01 0.00 0.00 72.50 72.35 2bf8 s THR 42 CO -0.21 0.02 1.30 1.41 -0.69 0.00 0.00 174.62 176.45 2bf8 n HIS 43 N 3.28 1.58 0.65 4.92 8.25 -1.26 -4.40 115.22 128.24 2bf8 n HIS 43 Ca -0.16 0.59 0.09 0.00 -0.26 0.00 0.00 57.72 57.98 2bf8 n HIS 43 Cb 0.57 -2.35 0.39 0.00 1.12 0.00 0.00 29.99 29.72 2bf8 n HIS 43 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2bf8 n LEU 44 N 2.38 0.00 -0.23 2.41 4.77 0.47 -2.82 117.00 123.98 2bf8 n LEU 44 Ca 0.16 0.45 -0.04 0.00 -0.03 0.00 0.00 56.01 56.56 2bf8 n LEU 44 Cb 0.24 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.85 2bf8 n LEU 44 CO 0.62 -0.18 0.31 1.17 -1.33 0.00 0.00 177.39 177.97 2bf8 n LYS 45 N -1.45 -0.20 0.09 3.23 3.00 -1.14 -1.15 118.16 120.55 2bf8 n LYS 45 Ca 0.05 0.88 -0.13 0.00 -0.00 0.00 0.00 58.31 59.11 2bf8 n LYS 45 Cb 0.19 -1.29 -0.07 0.00 0.00 0.00 0.00 35.03 33.86 2bf8 n LYS 45 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2bf8 h LYS 46 N 0.00 -0.15 -0.06 1.64 1.63 -1.86 -0.27 116.57 117.51 2bf8 h LYS 46 Ca 0.14 0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.99 2bf8 h LYS 46 Cb 0.29 0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 31.90 2bf8 h LYS 46 CO -0.55 -0.10 -0.30 1.25 -3.45 0.00 0.00 179.45 176.30 2bf8 h LEU 47 N -0.15 -0.91 -1.05 5.20 7.12 -1.65 0.94 115.31 124.81 2bf8 h LEU 47 Ca -0.01 0.13 0.05 0.00 0.13 0.00 0.00 57.88 58.18 2bf8 h LEU 47 Cb 0.13 0.38 -0.06 0.00 -0.53 0.00 0.00 40.66 40.58 2bf8 h LEU 47 CO 0.01 -0.36 0.64 0.11 -0.13 0.00 0.00 178.44 178.71 2bf8 h LYS 48 N -0.42 1.16 0.08 1.25 1.57 -0.89 0.24 116.57 119.57 2bf8 h LYS 48 Ca 0.08 -0.07 -0.23 0.00 -1.87 0.00 0.00 60.65 58.56 2bf8 h LYS 48 Cb 0.53 -0.26 0.02 0.00 0.08 0.00 0.00 32.23 32.60 2bf8 h LYS 48 CO -0.29 0.77 -0.95 1.05 -0.57 0.00 0.00 179.45 179.45 2bf8 h GLU 49 N 1.20 0.51 -0.83 3.15 4.11 -0.67 -2.17 114.58 119.88 2bf8 h GLU 49 Ca 0.40 -0.65 0.07 0.00 0.07 0.00 0.00 59.36 59.25 2bf8 h GLU 49 Cb 0.07 0.21 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 2bf8 h GLU 49 CO -0.14 1.27 0.50 1.03 0.07 0.00 0.00 179.01 181.74 2bf8 h SER 50 N 0.04 0.76 0.31 3.06 0.87 -0.61 0.17 113.55 118.15 2bf8 h SER 50 Ca -0.14 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.43 2bf8 h SER 50 Cb 1.67 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.50 2bf8 h SER 50 CO 0.18 0.47 -0.15 0.22 -0.53 0.00 0.00 176.83 177.02 2bf8 h TYR 51 N 0.89 -0.39 -0.61 2.24 5.03 -0.95 -0.12 116.97 123.06 2bf8 h TYR 51 Ca 0.38 -0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.75 2bf8 h TYR 51 Cb 0.24 0.13 -0.04 0.00 1.55 0.00 0.00 36.73 38.61 2bf8 h TYR 51 CO -0.04 -0.17 0.40 0.00 -1.32 0.00 0.00 178.16 177.03 2bf8 h GLN 53 N 0.56 0.60 -0.94 0.00 4.20 -0.50 -0.67 115.11 118.36 2bf8 h GLN 53 Ca 0.27 -0.25 0.08 0.00 0.06 0.00 0.00 58.65 58.81 2bf8 h GLN 53 Cb 0.32 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.01 2bf8 h GLN 53 CO -0.08 0.81 0.59 -0.09 -0.67 0.00 0.00 178.83 179.39 2bf8 h ARG 54 N 0.36 0.98 -0.14 1.46 2.43 -0.42 -2.28 114.38 116.77 2bf8 h ARG 54 Ca 0.07 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2bf8 h ARG 54 Cb 0.62 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 2bf8 h ARG 54 CO 0.04 0.65 0.00 1.04 -1.51 0.00 0.00 179.97 180.19 2bf8 n GLN 55 N -4.60 1.90 -1.57 0.20 1.13 -0.68 -4.96 117.38 108.79 2bf8 n GLN 55 Ca 0.15 -1.34 -0.16 0.00 -1.94 0.00 0.00 57.00 53.72 2bf8 n GLN 55 Cb 0.25 -1.44 -0.06 0.00 0.11 0.00 0.00 30.24 29.09 2bf8 n GLN 55 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2bf8 n GLY 56 N 1.23 1.31 3.60 1.08 0.00 -0.35 -5.02 105.19 107.04 2bf8 n GLY 56 Ca 0.17 -0.28 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 2bf8 n GLY 56 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bf8 s VAL 57 N -2.60 3.31 0.52 1.61 -7.23 -0.67 -5.03 120.40 110.30 2bf8 s VAL 57 Ca 0.00 -1.70 -0.21 0.00 -1.81 0.00 0.00 61.98 58.26 2bf8 s VAL 57 Cb 0.00 -2.67 -0.06 0.00 0.56 0.00 0.00 36.38 34.20 2bf8 s VAL 57 CO 0.00 -0.18 1.16 -2.84 -0.31 0.00 0.00 175.10 172.93 2bf8 s PRO 58 N -3.06 3.46 0.51 4.82 0.02 -1.26 -4.42 135.00 135.07 2bf8 s PRO 58 Ca 0.27 1.72 -0.18 0.00 0.02 0.00 0.00 61.00 62.84 2bf8 s PRO 58 Cb -0.08 -2.16 -0.08 0.00 0.02 0.00 0.00 34.50 32.20 2bf8 s PRO 58 CO 0.17 -0.79 1.00 1.41 -0.33 0.00 0.00 177.00 178.46 2bf8 s MET 59 N -3.05 3.88 0.00 5.54 1.75 -1.26 -2.21 119.30 123.95 2bf8 s MET 59 Ca 0.70 1.07 0.00 0.00 -1.25 0.00 0.00 55.69 56.21 2bf8 s MET 59 Cb -0.27 -2.12 0.00 0.00 2.84 0.00 0.00 34.83 35.28 2bf8 s MET 59 CO 0.31 -0.33 0.00 0.09 -0.65 0.00 0.00 175.02 174.44 2bf8 n ASN 60 N -1.41 0.00 0.09 1.11 5.03 -1.26 -4.88 115.26 113.94 2bf8 n ASN 60 Ca 0.07 0.00 0.05 0.00 0.87 0.00 0.00 54.58 55.57 2bf8 n ASN 60 Cb 0.54 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.27 2bf8 n ASN 60 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 2bf8 h SER 61 N 0.00 0.00 -4.11 6.41 4.64 -1.63 -3.04 113.55 115.82 2bf8 h SER 61 Ca 0.00 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.64 2bf8 h SER 61 Cb 0.00 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 61.85 2bf8 h SER 61 CO 0.00 0.35 -0.87 -0.76 -0.87 0.00 0.00 176.83 174.68 2bf8 s LEU 62 N -5.80 2.25 0.12 5.97 1.43 -1.26 -0.81 118.68 120.58 2bf8 s LEU 62 Ca -0.00 -0.67 0.08 0.00 -1.03 0.00 0.00 54.13 52.51 2bf8 s LEU 62 Cb 0.08 -1.21 -0.04 0.00 0.03 0.00 0.00 46.19 45.06 2bf8 s LEU 62 CO 0.78 0.20 -0.12 0.00 0.23 0.00 0.00 176.35 177.45 2bf8 s ARG 63 N -1.65 2.03 -0.10 1.70 1.70 0.13 -4.89 118.95 117.87 2bf8 s ARG 63 Ca 0.12 -1.10 0.04 0.00 -0.47 0.00 0.00 55.73 54.31 2bf8 s ARG 63 Cb -0.10 -2.23 0.00 0.00 -0.57 0.00 0.00 34.95 32.05 2bf8 s ARG 63 CO 0.04 0.49 -0.22 -0.06 -1.08 0.00 0.00 175.30 174.46 2bf8 s PHE 64 N -1.28 2.43 0.04 5.89 0.40 -1.26 0.12 117.98 124.31 2bf8 s PHE 64 Ca 0.21 -1.00 0.07 0.00 -0.60 0.00 0.00 56.93 55.61 2bf8 s PHE 64 Cb -0.11 -1.63 -0.03 0.00 0.51 0.00 0.00 43.02 41.76 2bf8 s PHE 64 CO 0.13 -0.41 -0.17 -0.51 0.70 0.00 0.00 175.22 174.96 2bf8 s LEU 65 N 0.40 2.64 -0.07 -0.37 1.43 0.24 -0.91 118.68 122.05 2bf8 s LEU 65 Ca -0.18 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 52.52 2bf8 s LEU 65 Cb -0.18 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.52 2bf8 s LEU 65 CO 0.08 0.25 -0.09 0.12 0.23 0.00 0.00 176.35 176.94 2bf8 s PHE 66 N -0.94 1.26 -1.62 0.29 5.36 -0.45 -0.56 117.98 121.34 2bf8 s PHE 66 Ca 0.15 -0.47 -0.14 0.00 -0.96 0.00 0.00 56.93 55.51 2bf8 s PHE 66 Cb -0.11 -0.98 0.12 0.00 -0.34 0.00 0.00 43.02 41.71 2bf8 s PHE 66 CO 0.06 -0.28 0.76 0.39 -1.46 0.00 0.00 175.22 174.68 2bf8 n GLU 67 N 4.02 -3.64 -1.38 10.12 1.02 -1.26 -2.12 120.64 127.40 2bf8 n GLU 67 Ca -0.22 0.42 -0.10 0.00 -0.02 0.00 0.00 57.16 57.24 2bf8 n GLU 67 Cb 0.51 -5.07 -0.04 0.00 -0.02 0.00 0.00 31.44 26.82 2bf8 n GLU 67 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bf8 n GLY 68 N -1.56 1.00 2.88 0.62 0.00 -1.26 -5.01 105.19 101.86 2bf8 n GLY 68 Ca -0.00 -0.58 -0.16 0.00 0.00 0.00 0.00 46.02 45.28 2bf8 n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bf8 s GLN 69 N -3.00 0.35 0.15 1.61 -0.21 -0.90 -5.09 119.66 112.57 2bf8 s GLN 69 Ca 0.00 -0.05 -0.31 0.00 0.02 0.00 0.00 55.36 55.03 2bf8 s GLN 69 Cb 0.00 -0.41 -0.08 0.00 1.00 0.00 0.00 33.01 33.52 2bf8 s GLN 69 CO 0.00 -0.02 1.33 -0.98 -2.12 0.00 0.00 175.29 173.50 2bf8 s ARG 70 N 0.44 4.37 0.80 2.91 1.70 -1.26 -1.34 118.95 126.58 2bf8 s ARG 70 Ca -0.05 2.03 -0.13 0.00 -0.47 0.00 0.00 55.73 57.11 2bf8 s ARG 70 Cb -0.08 -3.23 0.08 0.00 -0.57 0.00 0.00 34.95 31.15 2bf8 s ARG 70 CO -0.01 -0.33 1.20 0.42 -1.08 0.00 0.00 175.30 175.50 2bf8 s ILE 71 N 0.63 2.12 0.32 4.99 -1.09 -0.08 -4.90 121.20 123.18 2bf8 s ILE 71 Ca 0.60 0.05 0.06 0.00 -2.23 0.00 0.00 60.65 59.14 2bf8 s ILE 71 Cb -0.36 -2.46 -0.06 0.00 -1.58 0.00 0.00 42.46 38.00 2bf8 s ILE 71 CO 0.34 -0.04 -0.03 0.00 -1.23 0.00 0.00 174.94 173.99 2bf8 s ALA 72 N -2.17 2.54 0.26 9.38 0.00 -1.26 -4.81 121.76 125.71 2bf8 s ALA 72 Ca 0.73 -2.02 -0.02 0.00 0.00 0.00 0.00 51.96 50.65 2bf8 s ALA 72 Cb -0.28 0.27 0.35 0.00 0.00 0.00 0.00 23.12 23.46 2bf8 s ALA 72 CO 0.50 -0.12 1.77 -0.44 0.00 0.00 0.00 175.76 177.47 2bf8 h ASP 73 N 2.14 0.75 0.83 0.00 5.19 -1.97 -2.57 116.42 120.78 2bf8 h ASP 73 Ca -0.41 -0.18 -0.10 0.00 -0.62 0.00 0.00 57.03 55.72 2bf8 h ASP 73 Cb 1.24 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 40.54 2bf8 h ASP 73 CO 0.70 0.81 -0.50 -0.55 -3.12 0.00 0.00 179.24 176.58 2bf8 h ASN 74 N 0.73 0.00 -3.69 6.45 -1.07 -1.96 -3.00 115.58 113.03 2bf8 h ASN 74 Ca 0.14 0.00 -0.57 0.00 0.07 0.00 0.00 56.30 55.95 2bf8 h ASN 74 Cb 0.44 0.00 0.15 0.00 -2.07 0.00 0.00 38.32 36.84 2bf8 h ASN 74 CO 0.02 0.50 0.29 1.41 0.07 0.00 0.00 177.43 179.72 2bf8 n HIS 75 N -3.59 1.35 -4.28 4.14 8.25 -0.97 -4.72 115.22 115.41 2bf8 n HIS 75 Ca -0.00 0.45 -0.15 0.00 -0.26 0.00 0.00 57.72 57.75 2bf8 n HIS 75 Cb 0.59 -2.22 -0.10 0.00 1.12 0.00 0.00 29.99 29.38 2bf8 n HIS 75 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2bf8 s THR 76 N -1.42 0.89 0.32 1.59 -1.32 -1.26 -0.39 115.64 114.04 2bf8 s THR 76 Ca 0.74 -2.01 0.29 0.00 -1.21 0.00 0.00 61.69 59.50 2bf8 s THR 76 Cb -0.43 -2.16 0.31 0.00 -1.51 0.00 0.00 72.50 68.71 2bf8 s THR 76 CO 0.48 -0.46 2.03 -0.65 -2.21 0.00 0.00 174.62 173.80 2bf8 h PRO 77 N 2.62 0.00 -0.11 7.08 0.11 -1.76 -3.09 132.00 136.86 2bf8 h PRO 77 Ca -0.37 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.76 2bf8 h PRO 77 Cb 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 2bf8 h PRO 77 CO 0.63 0.11 -0.28 -0.22 -0.21 0.00 0.00 178.00 178.03 2bf8 h LYS 78 N 0.00 -0.26 0.00 1.05 1.63 -0.30 -3.16 116.57 115.53 2bf8 h LYS 78 Ca -0.00 0.02 -0.27 0.00 -0.85 0.00 0.00 60.65 59.55 2bf8 h LYS 78 Cb 0.43 0.06 0.13 0.00 -0.60 0.00 0.00 32.23 32.25 2bf8 h LYS 78 CO 0.01 -0.17 0.14 -0.85 -3.45 0.00 0.00 179.45 175.13 2bf8 n GLU 79 N -4.05 -1.92 0.00 1.90 0.28 -1.17 -3.99 120.64 111.69 2bf8 n GLU 79 Ca -0.03 -1.23 0.00 0.00 -0.16 0.00 0.00 57.16 55.74 2bf8 n GLU 79 Cb 0.19 -1.03 0.00 0.00 1.43 0.00 0.00 31.44 32.03 2bf8 n GLU 79 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2bf8 n LEU 80 N 0.00 0.00 -1.14 -1.84 4.77 -1.26 -3.91 117.00 113.62 2bf8 n LEU 80 Ca 0.10 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.98 2bf8 n LEU 80 Cb 0.39 -0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.33 2bf8 n LEU 80 CO 0.27 0.00 -0.13 0.61 -1.33 0.00 0.00 177.39 176.81 2bf8 n GLY 81 N -1.63 0.05 3.73 -0.72 0.00 -1.25 -4.96 105.19 100.41 2bf8 n GLY 81 Ca 0.00 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 2bf8 n GLY 81 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2bf8 s MET 82 N -4.37 4.45 0.43 1.61 -1.94 -1.19 -5.03 119.30 113.25 2bf8 s MET 82 Ca 0.00 1.87 0.04 0.00 -1.71 0.00 0.00 55.69 55.88 2bf8 s MET 82 Cb 0.00 -3.28 0.04 0.00 2.01 0.00 0.00 34.83 33.60 2bf8 s MET 82 CO 0.00 -0.20 0.30 0.39 -0.01 0.00 0.00 175.02 175.50 2bf8 n GLU 83 N 3.21 0.86 -2.00 2.03 1.02 -1.26 -4.91 120.64 119.59 2bf8 n GLU 83 Ca 0.07 -2.75 -0.39 0.00 -0.02 0.00 0.00 57.16 54.07 2bf8 n GLU 83 Cb 0.45 0.33 0.01 0.00 -0.02 0.00 0.00 31.44 32.21 2bf8 n GLU 83 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2bf8 s GLU 84 N -3.77 3.76 0.00 3.49 2.56 -1.26 -3.31 118.70 120.17 2bf8 s GLU 84 Ca 0.23 2.16 0.00 0.00 0.00 0.00 0.00 54.97 57.35 2bf8 s GLU 84 Cb -0.02 -2.61 0.00 0.00 2.00 0.00 0.00 34.13 33.50 2bf8 s GLU 84 CO 0.14 -0.67 0.00 0.39 -0.56 0.00 0.00 175.26 174.57 2bf8 n GLU 85 N -0.20 -0.38 -1.84 4.30 -0.58 -0.79 -4.95 120.64 116.20 2bf8 n GLU 85 Ca 0.05 0.10 -0.36 0.00 -0.42 0.00 0.00 57.16 56.53 2bf8 n GLU 85 Cb 0.44 -4.36 0.05 0.00 -0.57 0.00 0.00 31.44 27.01 2bf8 n GLU 85 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2bf8 s ASP 86 N -2.10 4.89 -0.08 1.62 1.01 -1.21 -4.59 116.67 116.22 2bf8 s ASP 86 Ca 0.00 2.39 -0.02 0.00 0.71 0.00 0.00 52.55 55.63 2bf8 s ASP 86 Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 2bf8 s ASP 86 CO 0.00 -1.79 0.04 -0.69 0.21 0.00 0.00 175.17 172.93 2bf8 s VAL 87 N -1.69 4.59 -0.06 -1.27 1.01 -1.26 -1.35 120.40 120.37 2bf8 s VAL 87 Ca 0.77 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.60 2bf8 s VAL 87 Cb -0.31 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 2bf8 s VAL 87 CO 0.37 0.56 -0.22 -0.51 0.00 0.00 0.00 175.10 175.30 2bf8 s ILE 88 N -0.97 1.82 -0.20 2.22 2.07 0.11 -4.73 121.20 121.52 2bf8 s ILE 88 Ca 0.15 -0.92 -0.15 0.00 -1.41 0.00 0.00 60.65 58.32 2bf8 s ILE 88 Cb -0.12 -1.55 -0.04 0.00 0.13 0.00 0.00 42.46 40.88 2bf8 s ILE 88 CO 0.05 0.51 0.35 -1.61 -1.91 0.00 0.00 174.94 172.33 2bf8 s GLU 89 N 0.01 4.17 -0.09 3.50 2.02 0.28 -1.05 118.70 127.53 2bf8 s GLU 89 Ca -0.06 0.12 0.00 0.00 0.02 0.00 0.00 54.97 55.05 2bf8 s GLU 89 Cb -0.14 -3.53 -0.03 0.00 0.10 0.00 0.00 34.13 30.54 2bf8 s GLU 89 CO 0.04 0.00 -0.09 0.54 0.02 0.00 0.00 175.26 175.77 2bf8 s VAL 90 N 1.19 3.46 0.09 2.63 0.11 -0.80 0.79 120.40 127.86 2bf8 s VAL 90 Ca 0.17 -0.55 0.05 0.00 -2.93 0.00 0.00 61.98 58.72 2bf8 s VAL 90 Cb -0.14 -2.43 -0.03 0.00 -1.53 0.00 0.00 36.38 32.25 2bf8 s VAL 90 CO 0.07 0.56 -0.14 -0.31 -3.33 0.00 0.00 175.10 171.96 2bf8 s TYR 91 N -0.36 1.25 0.46 1.54 1.51 0.12 -4.36 117.35 117.52 2bf8 s TYR 91 Ca 0.05 -0.50 -0.22 0.00 -1.01 0.00 0.00 57.07 55.38 2bf8 s TYR 91 Cb -0.12 -0.69 -0.07 0.00 -0.11 0.00 0.00 41.96 40.96 2bf8 s TYR 91 CO 0.02 0.07 1.13 -0.65 -1.11 0.00 0.00 175.55 175.02 2bf8 s GLN 92 N -2.07 3.77 0.06 -0.62 -0.21 -1.26 0.20 119.66 119.52 2bf8 s GLN 92 Ca 0.01 1.68 -0.17 0.00 0.02 0.00 0.00 55.36 56.90 2bf8 s GLN 92 Cb -0.08 -2.35 -0.06 0.00 1.00 0.00 0.00 33.01 31.52 2bf8 s GLN 92 CO 0.02 -0.52 0.51 -1.21 -2.12 0.00 0.00 175.29 171.97 2bf8 s GLU 93 N -2.79 4.07 0.10 2.91 0.41 0.01 -4.77 118.70 118.64 2bf8 s GLU 93 Ca 0.64 0.58 -0.34 0.00 -0.41 0.00 0.00 54.97 55.45 2bf8 s GLU 93 Cb -0.26 -3.19 -0.14 0.00 -1.78 0.00 0.00 34.13 28.76 2bf8 s GLU 93 CO 0.31 0.64 1.57 1.96 -0.49 0.00 0.00 175.26 179.25 2bf8 h GLN 94 N 4.46 -0.77 -1.06 1.61 4.20 -1.96 0.72 115.11 122.30 2bf8 h GLN 94 Ca -0.50 0.05 0.35 0.00 0.06 0.00 0.00 58.65 58.61 2bf8 h GLN 94 Cb 1.21 0.17 -0.14 0.00 0.30 0.00 0.00 27.48 29.02 2bf8 h GLN 94 CO 0.63 -0.51 0.63 1.79 -0.67 0.00 0.00 178.83 180.69 2bf8 h THR 95 N -0.80 0.25 -0.17 -0.54 1.35 -1.95 -3.45 112.91 107.60 2bf8 h THR 95 Ca -0.01 -0.08 -0.07 0.00 -0.55 0.00 0.00 66.41 65.69 2bf8 h THR 95 Cb 0.77 -0.02 -0.03 0.00 -1.73 0.00 0.00 68.15 67.14 2bf8 h THR 95 CO -0.22 0.04 -0.07 0.61 -0.25 0.00 0.00 175.52 175.64 2bf8 n GLY 96 N -1.34 0.63 3.93 5.82 0.00 0.24 -5.11 105.19 109.36 2bf8 n GLY 96 Ca 0.33 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2bf8 n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93