#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fes s ALA 2 N 0.00 3.55 0.00 3.04 0.00 -1.26 -4.98 121.76 122.11 1fes s ALA 2 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.58 1fes s ALA 2 Cb 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1fes s ALA 2 CO 0.00 -1.45 0.00 0.39 0.00 0.00 0.00 175.76 174.70 1fes n GLU 3 N 7.06 3.59 -1.43 0.00 1.02 -1.26 -5.01 120.64 124.61 1fes n GLU 3 Ca 0.16 0.00 -0.47 0.00 -0.02 0.00 0.00 57.16 56.84 1fes n GLU 3 Cb 0.44 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.74 1fes n GLU 3 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1fes n ILE 4 N -0.02 0.01 -1.62 -3.67 5.41 -1.26 -4.20 119.36 114.00 1fes n ILE 4 Ca 0.00 -0.09 -0.29 0.00 1.00 0.00 0.00 62.75 63.37 1fes n ILE 4 Cb 0.00 -0.80 0.13 0.00 -0.71 0.00 0.00 39.64 38.26 1fes n ILE 4 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1fes s LYS 5 N 7.89 1.25 -0.34 0.38 3.01 0.71 -4.76 119.74 127.88 1fes s LYS 5 Ca 1.26 0.21 0.03 0.00 -1.01 0.00 0.00 55.97 56.46 1fes s LYS 5 Cb -1.20 -1.86 0.10 0.00 -1.01 0.00 0.00 37.83 33.87 1fes s LYS 5 CO 0.52 -2.11 0.06 -1.58 0.51 0.00 0.00 175.35 172.75 1fes s HIS 6 N -3.37 3.33 0.43 3.18 5.65 -1.26 -1.59 115.29 121.66 1fes s HIS 6 Ca 0.64 -2.74 -0.11 0.00 0.25 0.00 0.00 55.06 53.10 1fes s HIS 6 Cb -0.13 -2.67 -0.06 0.00 -1.18 0.00 0.00 32.58 28.53 1fes s HIS 6 CO 0.52 -0.93 0.80 0.71 -0.65 0.00 0.00 174.74 175.20 1fes s TYR 7 N 1.03 3.48 -0.03 3.88 2.02 0.16 -0.52 117.35 127.38 1fes s TYR 7 Ca 0.11 1.08 -0.01 0.00 -0.37 0.00 0.00 57.07 57.88 1fes s TYR 7 Cb -0.19 -2.48 0.03 0.00 -0.40 0.00 0.00 41.96 38.93 1fes s TYR 7 CO -0.11 -0.17 0.05 -1.14 -1.57 0.00 0.00 175.55 172.60 1fes s GLN 8 N -4.00 -0.01 0.02 -0.62 0.74 0.00 -0.68 119.66 115.11 1fes s GLN 8 Ca 0.52 0.21 0.05 0.00 0.05 0.00 0.00 55.36 56.19 1fes s GLN 8 Cb -0.10 -0.21 -0.02 0.00 1.10 0.00 0.00 33.01 33.77 1fes s GLN 8 CO 0.33 -0.15 -0.15 -0.06 -0.55 0.00 0.00 175.29 174.70 1fes s PHE 9 N 1.00 1.36 -0.71 1.67 0.40 0.29 -0.61 117.98 121.38 1fes s PHE 9 Ca -0.08 -0.32 -0.23 0.00 -0.60 0.00 0.00 56.93 55.70 1fes s PHE 9 Cb -0.12 -0.83 0.06 0.00 0.51 0.00 0.00 43.02 42.64 1fes s PHE 9 CO -0.03 0.02 1.07 1.21 0.70 0.00 0.00 175.22 178.19 1fes s ASN 10 N -0.86 6.21 -0.15 1.36 3.84 0.57 -0.41 114.94 125.50 1fes s ASN 10 Ca 0.04 -0.95 -0.01 0.00 0.21 0.00 0.00 52.86 52.15 1fes s ASN 10 Cb -0.07 -2.46 -0.01 0.00 -0.55 0.00 0.00 41.25 38.16 1fes s ASN 10 CO 0.01 -1.51 -0.13 0.54 -2.79 0.00 0.00 177.10 173.22 1fes s VAL 11 N 4.41 2.96 -0.67 -5.21 0.11 0.34 -0.43 120.40 121.90 1fes s VAL 11 Ca 0.27 -0.68 -0.27 0.00 -2.93 0.00 0.00 61.98 58.37 1fes s VAL 11 Cb -0.13 -2.26 0.01 0.00 -1.53 0.00 0.00 36.38 32.46 1fes s VAL 11 CO 0.09 0.51 1.56 -0.69 -3.33 0.00 0.00 175.10 173.24 1fes s VAL 12 N 0.65 3.55 -0.06 2.04 1.01 -0.22 -4.52 120.40 122.84 1fes s VAL 12 Ca -0.07 0.32 -0.22 0.00 0.00 0.00 0.00 61.98 62.01 1fes s VAL 12 Cb -0.15 -4.44 -0.18 0.00 0.00 0.00 0.00 36.38 31.61 1fes s VAL 12 CO 0.02 -1.39 0.88 -0.03 0.00 0.00 0.00 175.10 174.59 1fes h MET 13 N 12.41 -0.12 -6.67 2.72 4.05 -1.88 -3.39 114.93 122.05 1fes h MET 13 Ca -0.27 0.01 -0.46 0.00 -0.28 0.00 0.00 59.70 58.70 1fes h MET 13 Cb 1.10 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.94 1fes h MET 13 CO 1.25 0.40 -1.07 -2.37 0.23 0.00 0.00 176.91 175.34 1fes n THR 14 N -4.85 -3.73 -4.70 -0.77 5.66 -1.26 -4.58 114.28 100.05 1fes n THR 14 Ca -0.08 -0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 1fes n THR 14 Cb 0.29 -3.20 0.00 0.00 -1.55 0.00 0.00 70.33 65.87 1fes n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1fes n SER 16 N -1.93 0.00 0.07 0.00 7.64 -1.26 -4.54 113.62 113.61 1fes n SER 16 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 1fes n SER 16 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 1fes n SER 16 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1fes h GLY 17 N 0.00 -0.86 -6.85 0.23 0.00 -1.86 -3.47 103.07 90.26 1fes h GLY 17 Ca 0.00 0.54 -0.50 0.00 0.00 0.00 0.00 47.33 47.37 1fes h GLY 17 CO 0.00 -0.25 -0.94 0.00 0.00 0.00 0.00 176.54 175.35 1fes n SER 19 N -1.97 0.00 -4.70 0.00 7.64 -1.26 -4.97 113.62 108.36 1fes n SER 19 Ca -0.17 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.33 1fes n SER 19 Cb 0.54 -0.14 0.06 0.00 -1.01 0.00 0.00 64.21 63.66 1fes n SER 19 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fes n GLY 20 N -0.91 0.37 5.00 0.23 0.00 0.51 -0.20 105.19 110.19 1fes n GLY 20 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1fes n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fes n ALA 21 N -1.56 0.00 -0.27 4.61 0.00 -1.26 -4.42 120.51 117.61 1fes n ALA 21 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.56 1fes n ALA 21 Cb 0.46 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.02 1fes n ALA 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1fes h VAL 22 N 0.00 1.07 0.18 0.00 2.07 -1.91 0.11 116.25 117.76 1fes h VAL 22 Ca 0.00 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1fes h VAL 22 Cb 0.00 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.86 1fes h VAL 22 CO 0.00 0.16 -0.09 -1.13 0.02 0.00 0.00 177.57 176.54 1fes h ASN 23 N 0.90 -0.21 -0.42 0.57 -1.24 -0.79 -3.25 115.58 111.14 1fes h ASN 23 Ca 0.32 -0.31 0.09 0.00 0.71 0.00 0.00 56.30 57.11 1fes h ASN 23 Cb 0.09 0.05 -0.09 0.00 0.73 0.00 0.00 38.32 39.10 1fes h ASN 23 CO -0.14 0.25 -0.20 0.11 -1.29 0.00 0.00 177.43 176.16 1fes h LYS 24 N -0.73 -0.11 0.00 6.67 1.57 -1.62 0.49 116.57 122.84 1fes h LYS 24 Ca -0.02 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1fes h LYS 24 Cb 0.50 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 1fes h LYS 24 CO 0.04 -0.07 -0.03 -0.24 -0.57 0.00 0.00 179.45 178.58 1fes h VAL 25 N -0.12 0.46 0.00 0.50 3.04 -0.91 -0.47 116.25 118.75 1fes h VAL 25 Ca 0.20 -0.14 -0.06 0.00 -1.01 0.00 0.00 66.70 65.69 1fes h VAL 25 Cb 0.43 1.09 -0.01 0.00 -2.01 0.00 0.00 31.29 30.79 1fes h VAL 25 CO -0.49 0.03 -0.60 -0.07 -1.01 0.00 0.00 177.57 175.43 1fes h LEU 26 N 0.00 0.00 -0.98 3.16 3.38 -0.96 -3.37 115.31 116.55 1fes h LEU 26 Ca -0.00 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.16 1fes h LEU 26 Cb 0.09 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.73 1fes h LEU 26 CO 0.00 0.27 0.57 0.71 0.09 0.00 0.00 178.44 180.09 1fes h THR 27 N 0.00 0.68 -1.31 0.22 1.35 -0.24 0.45 112.91 114.07 1fes h THR 27 Ca -0.03 -0.24 0.38 0.00 -0.55 0.00 0.00 66.41 65.97 1fes h THR 27 Cb 1.23 -0.09 -0.06 0.00 -1.73 0.00 0.00 68.15 67.51 1fes h THR 27 CO 0.03 0.13 0.94 0.50 -0.25 0.00 0.00 175.52 176.86 1fes h LYS 28 N 0.71 0.02 -0.16 4.72 1.63 -1.72 -0.49 116.57 121.28 1fes h LYS 28 Ca 0.57 -0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 60.20 1fes h LYS 28 Cb 0.90 -0.00 -0.22 0.00 -0.60 0.00 0.00 32.23 32.30 1fes h LYS 28 CO -0.40 0.01 -0.77 1.47 -3.45 0.00 0.00 179.45 176.31 1fes n LEU 29 N -4.17 2.42 -0.37 5.20 -0.00 0.12 -4.86 117.00 115.34 1fes n LEU 29 Ca 0.29 -3.38 -0.03 0.00 -0.00 0.00 0.00 56.01 52.89 1fes n LEU 29 Cb 1.36 -0.24 0.01 0.00 -0.00 0.00 0.00 43.42 44.55 1fes n LEU 29 CO 0.40 1.21 0.54 -0.62 -0.00 0.00 0.00 177.39 178.91 1fes n GLU 30 N -0.52 -0.26 0.07 1.47 -0.58 -0.19 -0.64 120.64 119.99 1fes n GLU 30 Ca 0.18 1.45 0.05 0.00 -0.42 0.00 0.00 57.16 58.42 1fes n GLU 30 Cb 0.88 -2.15 0.26 0.00 -0.57 0.00 0.00 31.44 29.86 1fes n GLU 30 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1fes n PRO 31 N -5.36 0.06 0.00 3.49 -0.04 -1.26 -0.82 135.00 131.07 1fes n PRO 31 Ca 0.08 0.55 0.07 0.00 -0.04 0.00 0.00 63.50 64.16 1fes n PRO 31 Cb 0.36 -1.70 0.03 0.00 -0.04 0.00 0.00 33.50 32.15 1fes n PRO 31 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1fes n ASP 32 N -1.83 1.80 -4.29 3.54 -0.08 0.18 -5.00 116.55 110.88 1fes n ASP 32 Ca -0.00 -1.40 -0.31 0.00 -1.51 0.00 0.00 54.79 51.56 1fes n ASP 32 Cb 0.02 0.23 -0.16 0.00 2.34 0.00 0.00 41.12 43.55 1fes n ASP 32 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1fes s VAL 33 N -1.39 2.02 -0.16 5.18 1.01 -0.00 -3.27 120.40 123.78 1fes s VAL 33 Ca 0.14 -1.08 -0.18 0.00 0.00 0.00 0.00 61.98 60.86 1fes s VAL 33 Cb 0.11 -1.69 -0.15 0.00 0.00 0.00 0.00 36.38 34.66 1fes s VAL 33 CO 0.25 0.57 0.26 -1.28 0.00 0.00 0.00 175.10 174.90 1fes h SER 34 N 5.67 0.00 -5.52 3.32 0.87 -0.84 -3.46 113.55 113.59 1fes h SER 34 Ca -0.39 -0.47 0.21 0.00 -1.23 0.00 0.00 61.79 59.91 1fes h SER 34 Cb 1.14 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.05 1fes h SER 34 CO 0.47 1.05 0.66 -0.75 -0.53 0.00 0.00 176.83 177.73 1fes s LYS 35 N -2.17 1.04 0.16 2.24 2.47 -0.72 -5.02 119.74 117.74 1fes s LYS 35 Ca -0.19 -0.66 0.07 0.00 -1.56 0.00 0.00 55.97 53.63 1fes s LYS 35 Cb 0.02 0.30 -0.04 0.00 -1.46 0.00 0.00 37.83 36.64 1fes s LYS 35 CO 0.45 -0.49 -0.15 0.42 0.16 0.00 0.00 175.35 175.75 1fes s ILE 36 N -2.24 1.54 0.11 5.43 1.09 -1.26 -0.36 121.20 125.52 1fes s ILE 36 Ca 0.22 -1.95 -0.02 0.00 -1.10 0.00 0.00 60.65 57.81 1fes s ILE 36 Cb -0.02 -1.79 -0.04 0.00 -1.06 0.00 0.00 42.46 39.56 1fes s ILE 36 CO 0.03 -0.48 0.06 -0.62 -0.10 0.00 0.00 174.94 173.82 1fes s ASP 37 N -2.83 0.33 -0.03 3.58 -1.08 0.07 -4.95 116.67 111.76 1fes s ASP 37 Ca 0.15 -1.12 -0.01 0.00 -0.52 0.00 0.00 52.55 51.05 1fes s ASP 37 Cb -0.03 0.29 0.02 0.00 -1.46 0.00 0.00 42.92 41.74 1fes s ASP 37 CO 0.05 -0.71 0.06 -0.63 0.52 0.00 0.00 175.17 174.45 1fes s ILE 38 N -4.01 -0.04 -0.44 4.11 1.01 -1.26 -0.26 121.20 120.32 1fes s ILE 38 Ca 0.19 0.14 0.02 0.00 0.00 0.00 0.00 60.65 61.01 1fes s ILE 38 Cb 0.07 -0.11 0.13 0.00 0.01 0.00 0.00 42.46 42.57 1fes s ILE 38 CO -0.01 0.06 0.23 -0.44 0.00 0.00 0.00 174.94 174.78 1fes s SER 39 N 0.77 3.71 0.26 3.58 0.01 0.30 -5.00 113.70 117.34 1fes s SER 39 Ca -0.06 -2.60 -0.08 0.00 1.31 0.00 0.00 55.95 54.53 1fes s SER 39 Cb -0.09 -1.06 0.44 0.00 0.21 0.00 0.00 66.02 65.52 1fes s SER 39 CO -0.03 -0.27 1.60 -0.07 0.41 0.00 0.00 173.24 174.88 1fes h LEU 40 N 6.79 -0.63 -0.92 2.44 3.38 -1.94 -0.81 115.31 123.62 1fes h LEU 40 Ca -0.02 0.24 0.13 0.00 0.09 0.00 0.00 57.88 58.33 1fes h LEU 40 Cb 0.93 0.47 -0.14 0.00 0.09 0.00 0.00 40.66 42.01 1fes h LEU 40 CO 0.49 -0.27 -0.39 -0.62 0.09 0.00 0.00 178.44 177.75 1fes n GLU 41 N -5.49 -0.25 -0.37 1.13 1.02 -1.26 -0.56 120.64 114.87 1fes n GLU 41 Ca 0.14 1.41 0.07 0.00 -0.02 0.00 0.00 57.16 58.76 1fes n GLU 41 Cb 0.49 -2.08 0.23 0.00 -0.02 0.00 0.00 31.44 30.06 1fes n GLU 41 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1fes n LYS 42 N -5.32 3.05 -3.90 3.49 4.01 -1.13 -4.97 118.16 113.39 1fes n LYS 42 Ca 0.08 -2.53 -0.28 0.00 -0.51 0.00 0.00 58.31 55.06 1fes n LYS 42 Cb 0.35 -1.63 0.02 0.00 -0.51 0.00 0.00 35.03 33.26 1fes n LYS 42 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1fes n GLN 43 N 0.12 -5.00 -3.97 1.97 1.13 0.28 -4.87 117.38 107.04 1fes n GLN 43 Ca 0.18 0.57 -0.31 0.00 -1.94 0.00 0.00 57.00 55.50 1fes n GLN 43 Cb 0.71 -5.30 -0.05 0.00 0.11 0.00 0.00 30.24 25.71 1fes n GLN 43 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1fes s LEU 44 N -7.12 4.14 -0.03 1.08 1.43 -0.37 -0.50 118.68 117.30 1fes s LEU 44 Ca 0.46 0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.74 1fes s LEU 44 Cb -0.23 -2.77 0.01 0.00 0.03 0.00 0.00 46.19 43.23 1fes s LEU 44 CO 0.84 0.17 -0.06 0.54 0.23 0.00 0.00 176.35 178.07 1fes s VAL 45 N -1.46 0.60 0.03 -1.59 0.11 0.45 -0.54 120.40 118.00 1fes s VAL 45 Ca 0.33 -0.22 -0.06 0.00 -2.93 0.00 0.00 61.98 59.09 1fes s VAL 45 Cb -0.13 -0.58 -0.05 0.00 -1.53 0.00 0.00 36.38 34.10 1fes s VAL 45 CO 0.25 0.22 0.28 -1.81 -3.33 0.00 0.00 175.10 170.72 1fes s ASP 46 N 0.52 6.50 -0.16 3.54 1.01 0.65 -0.55 116.67 128.18 1fes s ASP 46 Ca -0.07 0.57 -0.02 0.00 0.71 0.00 0.00 52.55 53.74 1fes s ASP 46 Cb -0.11 -2.09 0.05 0.00 1.01 0.00 0.00 42.92 41.78 1fes s ASP 46 CO 0.00 0.23 0.00 -0.69 0.21 0.00 0.00 175.17 174.92 1fes s VAL 47 N -1.34 0.67 -0.46 -1.27 1.01 0.14 -0.75 120.40 118.40 1fes s VAL 47 Ca 0.29 -0.42 -0.13 0.00 0.00 0.00 0.00 61.98 61.72 1fes s VAL 47 Cb -0.13 -1.00 0.09 0.00 0.00 0.00 0.00 36.38 35.34 1fes s VAL 47 CO 0.17 0.01 0.35 -0.31 0.00 0.00 0.00 175.10 175.32 1fes s TYR 48 N 1.81 3.30 -0.00 5.22 1.51 0.51 -0.67 117.35 129.03 1fes s TYR 48 Ca 0.01 -1.29 -0.28 0.00 -1.01 0.00 0.00 57.07 54.49 1fes s TYR 48 Cb -0.15 -3.21 0.09 0.00 -0.11 0.00 0.00 41.96 38.58 1fes s TYR 48 CO -0.07 -0.87 0.81 -0.08 -1.11 0.00 0.00 175.55 174.23 1fes s THR 49 N 1.53 0.00 -0.30 -0.71 -1.32 -0.62 -0.21 115.64 114.01 1fes s THR 49 Ca 0.04 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.73 1fes s THR 49 Cb -0.25 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 69.86 1fes s THR 49 CO 0.04 0.00 1.26 0.00 -2.21 0.00 0.00 174.62 173.71 1fes h THR 50 N 2.26 0.09 -3.28 5.08 1.03 -1.72 0.20 112.91 116.58 1fes h THR 50 Ca -0.25 -1.15 -0.58 0.00 -0.01 0.00 0.00 66.41 64.42 1fes h THR 50 Cb 1.23 1.78 0.15 0.00 -1.07 0.00 0.00 68.15 70.24 1fes h THR 50 CO 0.34 0.05 0.10 0.18 -0.01 0.00 0.00 175.52 176.18 1fes n LEU 51 N -2.89 2.90 -4.77 0.00 4.77 -1.26 -4.83 117.00 110.93 1fes n LEU 51 Ca 0.01 0.91 -0.41 0.00 -0.03 0.00 0.00 56.01 56.49 1fes n LEU 51 Cb 0.58 -1.35 -0.02 0.00 -2.33 0.00 0.00 43.42 40.30 1fes n LEU 51 CO 0.38 -1.78 1.06 -2.16 -1.33 0.00 0.00 177.39 173.56 1fes s PRO 52 N -2.33 4.26 0.12 3.23 0.04 -1.26 -4.83 135.00 134.24 1fes s PRO 52 Ca 0.69 2.34 -0.14 0.00 0.04 0.00 0.00 61.00 63.93 1fes s PRO 52 Cb -0.48 -3.05 0.07 0.00 0.04 0.00 0.00 34.50 31.08 1fes s PRO 52 CO 0.53 -0.35 0.95 0.98 0.04 0.00 0.00 177.00 179.16 1fes n TYR 53 N 1.10 -0.10 -0.25 0.56 9.36 -1.26 0.05 117.16 126.61 1fes n TYR 53 Ca 0.02 0.77 0.06 0.00 3.32 0.00 0.00 57.90 62.07 1fes n TYR 53 Cb 0.41 -0.66 0.18 0.00 -0.63 0.00 0.00 39.34 38.64 1fes n TYR 53 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 1fes h ASP 54 N 0.00 -0.15 -0.38 2.98 3.32 -1.99 0.69 116.42 120.89 1fes h ASP 54 Ca 0.17 0.17 0.02 0.00 0.02 0.00 0.00 57.03 57.41 1fes h ASP 54 Cb 0.32 0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 1fes h ASP 54 CO -0.60 -0.11 0.20 0.15 -1.72 0.00 0.00 179.24 177.16 1fes h PHE 55 N 0.18 0.38 0.10 4.55 3.57 -0.74 -0.48 116.94 124.50 1fes h PHE 55 Ca 0.42 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.93 1fes h PHE 55 Cb 0.76 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.38 1fes h PHE 55 CO -0.33 0.21 -0.05 0.82 -2.23 0.00 0.00 178.31 176.73 1fes h ILE 56 N 0.41 0.94 -0.39 1.41 5.03 -0.74 -2.04 117.51 122.14 1fes h ILE 56 Ca 0.16 -0.17 0.08 0.00 -0.12 0.00 0.00 64.86 64.81 1fes h ILE 56 Cb 0.04 1.05 -0.09 0.00 -3.03 0.00 0.00 36.82 34.80 1fes h ILE 56 CO -0.09 0.04 -0.24 -0.07 -0.68 0.00 0.00 178.15 177.10 1fes h LEU 57 N -0.21 -0.82 -0.66 1.44 3.38 -0.64 0.37 115.31 118.17 1fes h LEU 57 Ca -0.01 0.17 0.12 0.00 0.09 0.00 0.00 57.88 58.24 1fes h LEU 57 Cb 0.17 0.41 -0.12 0.00 0.09 0.00 0.00 40.66 41.21 1fes h LEU 57 CO 0.02 -0.27 -0.33 -0.33 0.09 0.00 0.00 178.44 177.63 1fes h GLU 58 N -0.18 -0.12 -0.40 1.13 4.39 -0.87 0.23 114.58 118.77 1fes h GLU 58 Ca 0.19 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.89 1fes h GLU 58 Cb 0.47 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 1fes h GLU 58 CO -0.50 -0.08 0.21 0.87 -1.16 0.00 0.00 179.01 178.36 1fes h LYS 59 N -0.13 0.56 -0.26 2.33 6.56 -0.45 0.67 116.57 125.85 1fes h LYS 59 Ca 0.26 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.79 1fes h LYS 59 Cb 0.56 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 32.10 1fes h LYS 59 CO -0.73 0.46 0.17 0.82 -2.06 0.00 0.00 179.45 178.11 1fes h ILE 60 N 0.51 1.06 -0.63 1.86 2.04 -0.48 -2.23 117.51 119.64 1fes h ILE 60 Ca 0.14 -0.12 0.12 0.00 1.00 0.00 0.00 64.86 66.01 1fes h ILE 60 Cb 0.07 0.68 -0.12 0.00 -0.74 0.00 0.00 36.82 36.71 1fes h ILE 60 CO -0.02 0.06 -0.16 0.50 0.00 0.00 0.00 178.15 178.53 1fes h LYS 61 N 0.34 -0.00 -0.07 2.37 1.63 -0.08 -0.35 116.57 120.41 1fes h LYS 61 Ca 0.10 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.92 1fes h LYS 61 Cb -0.03 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.60 1fes h LYS 61 CO -0.03 -0.00 0.19 0.87 -3.45 0.00 0.00 179.45 177.03 1fes h LYS 62 N -0.00 0.00 0.00 1.90 6.56 -0.24 0.48 116.57 125.26 1fes h LYS 62 Ca 0.30 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.87 1fes h LYS 62 Cb 0.46 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.12 1fes h LYS 62 CO -0.64 0.00 -0.09 1.79 -2.06 0.00 0.00 179.45 178.44 1fes h THR 63 N 0.00 0.20 0.00 -0.16 1.35 -0.98 -3.47 112.91 109.84 1fes h THR 63 Ca 0.03 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 1fes h THR 63 Cb 0.42 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 1fes h THR 63 CO -0.00 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 175.97 1fes n GLY 64 N 0.38 1.51 3.75 5.82 0.00 0.16 -5.04 105.19 111.77 1fes n GLY 64 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1fes n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fes s LYS 65 N -0.27 4.75 0.67 1.61 1.02 -1.26 -5.02 119.74 121.23 1fes s LYS 65 Ca 0.00 1.59 -0.17 0.00 0.02 0.00 0.00 55.97 57.41 1fes s LYS 65 Cb 0.00 -3.27 -0.01 0.00 -0.52 0.00 0.00 37.83 34.03 1fes s LYS 65 CO 0.00 0.34 1.04 0.39 -0.92 0.00 0.00 175.35 176.20 1fes n GLU 66 N 1.72 0.76 -3.65 1.68 -0.58 -1.26 -4.73 120.64 114.57 1fes n GLU 66 Ca -0.01 0.31 -0.29 0.00 -0.42 0.00 0.00 57.16 56.75 1fes n GLU 66 Cb 0.47 -2.28 -0.15 0.00 -0.57 0.00 0.00 31.44 28.91 1fes n GLU 66 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1fes s VAL 67 N -1.63 0.46 0.09 2.62 1.01 -1.26 -1.06 120.40 120.64 1fes s VAL 67 Ca 0.77 -1.08 -0.10 0.00 0.00 0.00 0.00 61.98 61.56 1fes s VAL 67 Cb -0.37 -1.34 -0.22 0.00 0.00 0.00 0.00 36.38 34.44 1fes s VAL 67 CO 0.47 -0.67 1.22 0.03 0.00 0.00 0.00 175.10 176.15 1fes h ARG 68 N 8.23 0.59 -2.19 2.72 3.08 -1.14 -3.48 114.38 122.19 1fes h ARG 68 Ca -0.16 -0.65 0.21 0.00 0.07 0.00 0.00 59.98 59.44 1fes h ARG 68 Cb 1.02 0.19 -0.08 0.00 0.08 0.00 0.00 29.97 31.18 1fes h ARG 68 CO 0.45 1.26 0.56 -1.12 -1.07 0.00 0.00 179.97 180.04 1fes s SER 69 N -7.23 -0.14 -0.19 7.04 0.01 -1.24 -5.02 113.70 106.93 1fes s SER 69 Ca -0.08 -0.38 -0.35 0.00 1.31 0.00 0.00 55.95 56.45 1fes s SER 69 Cb 0.07 0.43 0.14 0.00 0.21 0.00 0.00 66.02 66.88 1fes s SER 69 CO 0.90 -0.80 1.28 -0.83 0.41 0.00 0.00 173.24 174.21 1fes s GLY 70 N -2.98 -0.29 0.29 3.44 0.00 -1.26 -0.31 107.32 106.20 1fes s GLY 70 Ca 0.13 1.55 -0.04 0.00 0.00 0.00 0.00 44.72 46.37 1fes s GLY 70 CO 0.01 0.50 0.39 -1.59 0.00 0.00 0.00 173.10 172.41 1fes s LYS 71 N -2.29 1.66 0.12 2.90 0.00 0.22 -4.96 119.74 117.38 1fes s LYS 71 Ca 0.11 -1.63 0.05 0.00 0.00 0.00 0.00 55.97 54.51 1fes s LYS 71 Cb 0.00 0.40 -0.04 0.00 0.00 0.00 0.00 37.83 38.20 1fes s LYS 71 CO -0.04 -0.66 0.02 1.14 0.00 0.00 0.00 175.35 175.81 1fes s GLN 72 N -3.56 2.57 0.00 1.78 -2.07 -1.26 -0.82 119.66 116.31 1fes s GLN 72 Ca 0.31 -0.90 0.00 0.00 -1.82 0.00 0.00 55.36 52.96 1fes s GLN 72 Cb 0.01 -2.52 0.00 0.00 -1.09 0.00 0.00 33.01 29.41 1fes s GLN 72 CO 0.16 0.51 0.24 1.28 -1.32 0.00 0.00 175.29 176.17