#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1stu h ILE 2 N 0.00 0.00 -1.08 4.25 1.08 -1.91 -2.06 117.51 117.80 1stu h ILE 2 Ca 0.00 -0.15 0.31 0.00 -0.39 0.00 0.00 64.86 64.63 1stu h ILE 2 Cb 0.00 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 33.70 1stu h ILE 2 CO 0.00 0.00 0.77 -1.28 -0.69 0.00 0.00 178.15 176.95 1stu h SER 3 N -0.45 0.04 0.69 1.72 0.87 -2.02 -0.83 113.55 113.57 1stu h SER 3 Ca -0.03 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 1stu h SER 3 Cb 0.23 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1stu h SER 3 CO 0.05 0.01 -0.33 1.56 -0.53 0.00 0.00 176.83 177.59 1stu h GLN 4 N 0.04 -0.89 0.02 2.24 1.08 -1.97 -0.61 115.11 115.02 1stu h GLN 4 Ca 0.52 0.06 0.03 0.00 -1.45 0.00 0.00 58.65 57.81 1stu h GLN 4 Cb 2.01 0.20 -0.05 0.00 -0.05 0.00 0.00 27.48 29.59 1stu h GLN 4 CO -0.03 -0.59 -0.43 0.28 -0.95 0.00 0.00 178.83 177.11 1stu h VAL 5 N -1.09 0.14 -0.98 -0.54 2.07 -0.46 0.20 116.25 115.60 1stu h VAL 5 Ca -0.09 0.00 0.31 0.00 0.82 0.00 0.00 66.70 67.74 1stu h VAL 5 Cb 0.71 0.14 -0.15 0.00 -1.52 0.00 0.00 31.29 30.47 1stu h VAL 5 CO 0.15 0.00 0.48 0.45 0.02 0.00 0.00 177.57 178.68 1stu h HIS 6 N -0.59 0.78 0.80 1.57 3.86 -1.27 0.33 115.15 120.62 1stu h HIS 6 Ca 0.04 0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.25 1stu h HIS 6 Cb 0.66 -0.18 0.01 0.00 1.06 0.00 0.00 27.41 28.96 1stu h HIS 6 CO -0.42 -0.21 -0.38 0.93 0.86 0.00 0.00 177.93 178.70 1stu h GLU 7 N 0.27 -1.03 0.32 2.45 4.39 0.10 -1.66 114.58 119.42 1stu h GLU 7 Ca 0.70 0.07 -0.02 0.00 0.34 0.00 0.00 59.36 60.46 1stu h GLU 7 Cb 1.59 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 30.48 1stu h GLU 7 CO -0.64 -0.69 -0.15 0.97 -1.16 0.00 0.00 179.01 177.34 1stu h ILE 8 N -1.18 0.70 -0.43 3.13 -0.00 -0.14 -1.15 117.51 118.44 1stu h ILE 8 Ca -0.11 -0.42 0.09 0.00 -0.00 0.00 0.00 64.86 64.42 1stu h ILE 8 Cb 0.82 0.92 -0.09 0.00 -0.00 0.00 0.00 36.82 38.47 1stu h ILE 8 CO 0.18 0.08 -0.25 1.23 -0.00 0.00 0.00 178.15 179.40 1stu h GLY 9 N -0.66 -0.01 0.85 8.18 0.00 -0.50 0.38 103.07 111.31 1stu h GLY 9 Ca -0.04 0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.55 1stu h GLY 9 CO 0.07 -0.21 -0.04 -2.22 0.00 0.00 0.00 176.54 174.14 1stu h ILE 10 N -0.17 1.28 0.00 2.60 1.08 -1.16 2.05 117.51 123.18 1stu h ILE 10 Ca 0.20 -1.02 0.00 0.00 -0.39 0.00 0.00 64.86 63.65 1stu h ILE 10 Cb 0.48 1.44 0.00 0.00 -3.07 0.00 0.00 36.82 35.67 1stu h ILE 10 CO -0.53 0.32 0.00 0.29 -0.69 0.00 0.00 178.15 177.54 1stu n LYS 11 N -4.57 0.12 -0.03 2.37 4.01 -0.44 -1.68 118.16 117.94 1stu n LYS 11 Ca -0.04 0.49 0.01 0.00 -0.51 0.00 0.00 58.31 58.26 1stu n LYS 11 Cb 0.28 -1.80 0.03 0.00 -0.51 0.00 0.00 35.03 33.03 1stu n LYS 11 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1stu n ARG 12 N -2.04 2.73 0.00 1.97 1.74 0.13 -4.95 116.66 116.23 1stu n ARG 12 Ca 0.01 -1.54 0.00 0.00 -0.77 0.00 0.00 57.85 55.55 1stu n ARG 12 Cb 0.12 -1.05 0.00 0.00 -1.02 0.00 0.00 32.46 30.51 1stu n ARG 12 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1stu n ASN 13 N -0.28 0.00 -4.55 0.55 2.85 0.36 -4.95 115.26 109.24 1stu n ASN 13 Ca 0.02 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.09 1stu n ASN 13 Cb 0.27 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.26 1stu n ASN 13 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 1stu s MET 14 N -0.02 3.02 1.02 1.20 -1.94 0.67 -4.16 119.30 119.09 1stu s MET 14 Ca 0.00 -0.05 -0.20 0.00 -1.71 0.00 0.00 55.69 53.73 1stu s MET 14 Cb 0.00 -4.36 0.00 0.00 2.01 0.00 0.00 34.83 32.48 1stu s MET 14 CO 0.00 -2.38 -0.51 2.41 -0.01 0.00 0.00 175.02 174.53 1stu n THR 15 N 6.73 0.00 -3.32 2.05 -1.04 -1.26 -2.90 114.28 114.54 1stu n THR 15 Ca 0.12 -0.13 -0.23 0.00 -2.04 0.00 0.00 64.05 61.77 1stu n THR 15 Cb 0.50 -0.33 -0.09 0.00 -1.82 0.00 0.00 70.33 68.59 1stu n THR 15 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1stu s VAL 16 N -2.11 0.04 -0.42 12.58 1.01 -1.06 -3.71 120.40 126.73 1stu s VAL 16 Ca 0.42 -2.04 0.01 0.00 0.00 0.00 0.00 61.98 60.36 1stu s VAL 16 Cb -0.02 -0.99 0.12 0.00 0.00 0.00 0.00 36.38 35.49 1stu s VAL 16 CO 0.56 -0.95 0.18 -1.00 0.00 0.00 0.00 175.10 173.89 1stu s HIS 17 N 0.53 3.58 0.04 5.22 3.76 -0.84 -4.84 115.29 122.73 1stu s HIS 17 Ca 0.28 -2.80 -0.30 0.00 -0.15 0.00 0.00 55.06 52.08 1stu s HIS 17 Cb -0.04 -3.04 -0.04 0.00 1.11 0.00 0.00 32.58 30.56 1stu s HIS 17 CO -0.12 -0.91 1.05 -0.06 -0.85 0.00 0.00 174.74 173.85 1stu s PHE 18 N 0.68 3.60 -0.21 1.40 0.40 -1.26 -1.39 117.98 121.21 1stu s PHE 18 Ca 0.12 1.59 -0.05 0.00 -0.60 0.00 0.00 56.93 57.99 1stu s PHE 18 Cb -0.21 -3.21 0.11 0.00 0.51 0.00 0.00 43.02 40.21 1stu s PHE 18 CO -0.05 -0.39 0.38 0.21 0.70 0.00 0.00 175.22 176.07 1stu s LYS 19 N 0.88 0.31 -0.23 0.44 2.36 0.12 -4.96 119.74 118.66 1stu s LYS 19 Ca 0.53 0.75 -0.29 0.00 -2.55 0.00 0.00 55.97 54.42 1stu s LYS 19 Cb -0.24 -0.12 0.00 0.00 -1.05 0.00 0.00 37.83 36.42 1stu s LYS 19 CO 0.29 -0.45 1.13 0.08 1.55 0.00 0.00 175.35 177.95 1stu s VAL 20 N 2.56 4.50 -0.24 4.02 1.01 -1.26 -1.02 120.40 129.96 1stu s VAL 20 Ca 0.06 1.79 0.06 0.00 0.00 0.00 0.00 61.98 63.89 1stu s VAL 20 Cb -0.14 -4.23 -0.08 0.00 0.00 0.00 0.00 36.38 31.94 1stu s VAL 20 CO -0.14 -0.25 0.24 0.00 0.00 0.00 0.00 175.10 174.96 1stu n LEU 21 N 6.61 0.24 -4.14 3.92 -0.00 -1.10 -4.93 117.00 117.60 1stu n LEU 21 Ca 0.13 -0.40 -0.26 0.00 -0.00 0.00 0.00 56.01 55.48 1stu n LEU 21 Cb 0.46 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.72 1stu n LEU 21 CO 0.55 0.06 -0.50 -0.13 -0.00 0.00 0.00 177.39 177.37 1stu s ARG 22 N -1.77 1.70 -0.27 1.47 1.81 -1.21 -5.00 118.95 115.68 1stu s ARG 22 Ca 0.01 -0.61 -0.12 0.00 -1.72 0.00 0.00 55.73 53.30 1stu s ARG 22 Cb 0.05 -1.51 0.10 0.00 -0.45 0.00 0.00 34.95 33.14 1stu s ARG 22 CO 0.26 0.27 0.62 -1.21 -0.68 0.00 0.00 175.30 174.56 1stu s GLU 23 N -0.04 0.58 0.14 3.54 2.02 -1.26 -1.48 118.70 122.20 1stu s GLU 23 Ca -0.02 1.27 -0.30 0.00 0.02 0.00 0.00 54.97 55.94 1stu s GLU 23 Cb -0.11 0.47 -0.17 0.00 0.10 0.00 0.00 34.13 34.42 1stu s GLU 23 CO 0.02 -0.18 0.64 0.39 0.02 0.00 0.00 175.26 176.15 1stu n GLU 24 N 4.93 0.00 0.00 1.61 -0.58 -1.26 -4.86 120.64 120.48 1stu n GLU 24 Ca -0.16 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.58 1stu n GLU 24 Cb 0.53 -1.09 0.00 0.00 -0.57 0.00 0.00 31.44 30.31 1stu n GLU 24 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1stu n GLY 25 N 1.79 -0.28 0.00 0.62 0.00 -1.26 -4.20 105.19 101.86 1stu n GLY 25 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1stu n GLY 25 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1stu n PRO 26 N 0.00 3.08 0.00 1.61 -0.04 -1.26 -4.35 135.00 134.05 1stu n PRO 26 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1stu n PRO 26 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1stu n PRO 26 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1stu n ALA 27 N -3.00 0.00 -1.62 0.55 0.00 -1.26 -4.63 120.51 110.55 1stu n ALA 27 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1stu n ALA 27 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1stu n ALA 27 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1stu n HIS 28 N 0.00 -0.24 -1.96 0.00 -0.00 -1.26 -4.62 115.22 107.14 1stu n HIS 28 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1stu n HIS 28 Cb 0.00 -3.21 0.00 0.00 -0.00 0.00 0.00 29.99 26.78 1stu n HIS 28 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1stu n MET 29 N -2.28 0.00 0.00 -0.41 2.81 -1.26 -4.74 117.12 111.24 1stu n MET 29 Ca -0.19 -0.30 0.00 0.00 -1.81 0.00 0.00 57.70 55.41 1stu n MET 29 Cb 0.60 -0.16 0.00 0.00 -0.71 0.00 0.00 33.22 32.96 1stu n MET 29 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1stu n LYS 30 N 0.00 0.00 -4.38 0.03 5.02 -1.26 -4.41 118.16 113.16 1stu n LYS 30 Ca 0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.10 1stu n LYS 30 Cb 0.56 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.47 1stu n LYS 30 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1stu s ASN 31 N -0.83 1.74 -0.16 4.39 0.01 -1.26 0.85 114.94 119.69 1stu s ASN 31 Ca 0.00 -1.45 -0.08 0.00 -0.71 0.00 0.00 52.86 50.62 1stu s ASN 31 Cb 0.00 0.19 0.06 0.00 0.41 0.00 0.00 41.25 41.91 1stu s ASN 31 CO 0.00 -0.75 0.37 -0.36 -1.51 0.00 0.00 177.10 174.85 1stu s PHE 32 N -3.55 -0.58 -0.73 2.20 0.40 -0.47 -4.15 117.98 111.10 1stu s PHE 32 Ca 0.35 1.23 -0.21 0.00 -0.60 0.00 0.00 56.93 57.70 1stu s PHE 32 Cb 0.07 0.21 0.09 0.00 0.51 0.00 0.00 43.02 43.90 1stu s PHE 32 CO 0.15 -0.35 0.97 0.42 0.70 0.00 0.00 175.22 177.11 1stu s ILE 33 N 1.71 4.53 -0.37 0.64 -1.09 -0.55 -0.43 121.20 125.65 1stu s ILE 33 Ca -0.07 -0.83 -0.22 0.00 -2.23 0.00 0.00 60.65 57.30 1stu s ILE 33 Cb -0.10 -4.68 0.01 0.00 -1.58 0.00 0.00 42.46 36.11 1stu s ILE 33 CO -0.12 -1.42 0.73 -0.89 -1.23 0.00 0.00 174.94 172.01 1stu s THR 34 N 3.42 4.78 -0.35 2.92 2.01 -0.46 -2.69 115.64 125.27 1stu s THR 34 Ca 0.24 0.73 -0.23 0.00 0.31 0.00 0.00 61.69 62.74 1stu s THR 34 Cb -0.14 -4.17 0.01 0.00 0.01 0.00 0.00 72.50 68.20 1stu s THR 34 CO 0.04 -0.42 0.76 0.00 -0.69 0.00 0.00 174.62 174.31 1stu s ALA 35 N 2.98 3.46 -0.32 7.40 0.00 -0.19 -0.03 121.76 135.06 1stu s ALA 35 Ca 0.29 -0.62 -0.09 0.00 0.00 0.00 0.00 51.96 51.54 1stu s ALA 35 Cb -0.14 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1stu s ALA 35 CO 0.17 -1.38 0.14 0.00 0.00 0.00 0.00 175.76 174.69 1stu s ILE 37 N 1.57 4.49 -0.02 0.00 -1.16 -0.48 -1.33 121.20 124.26 1stu s ILE 37 Ca 0.03 1.81 0.02 0.00 -0.51 0.00 0.00 60.65 62.01 1stu s ILE 37 Cb -0.17 -4.16 0.00 0.00 0.61 0.00 0.00 42.46 38.74 1stu s ILE 37 CO 0.05 0.15 -0.08 -0.69 -2.81 0.00 0.00 174.94 171.56 1stu s VAL 38 N 0.93 0.73 0.00 4.00 1.01 -0.57 -1.98 120.40 124.52 1stu s VAL 38 Ca 0.54 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.19 1stu s VAL 38 Cb -0.25 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.48 1stu s VAL 38 CO 0.29 0.23 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1stu n GLY 39 N 3.30 3.17 0.02 4.51 0.00 -1.25 -1.55 105.19 113.39 1stu n GLY 39 Ca -0.18 0.26 0.02 0.00 0.00 0.00 0.00 46.02 46.13 1stu n GLY 39 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1stu n SER 40 N 9.87 2.03 -4.09 1.61 7.64 -1.26 -4.45 113.62 124.96 1stu n SER 40 Ca 0.00 -2.24 -0.14 0.00 1.01 0.00 0.00 58.87 57.51 1stu n SER 40 Cb 0.00 -0.10 -0.11 0.00 -1.01 0.00 0.00 64.21 62.98 1stu n SER 40 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1stu s ILE 41 N -1.42 0.66 -0.10 0.44 1.09 -0.60 -5.13 121.20 116.15 1stu s ILE 41 Ca 0.08 -1.22 -0.13 0.00 -1.10 0.00 0.00 60.65 58.27 1stu s ILE 41 Cb 0.07 -0.82 -0.05 0.00 -1.06 0.00 0.00 42.46 40.60 1stu s ILE 41 CO 0.01 -0.41 0.30 -0.69 -0.10 0.00 0.00 174.94 174.05 1stu s VAL 42 N -1.63 5.25 -0.32 2.92 1.01 -1.26 -1.51 120.40 124.86 1stu s VAL 42 Ca -0.06 0.59 0.03 0.00 0.00 0.00 0.00 61.98 62.54 1stu s VAL 42 Cb -0.08 -3.62 0.09 0.00 0.00 0.00 0.00 36.38 32.78 1stu s VAL 42 CO 0.00 0.50 0.03 -0.89 0.00 0.00 0.00 175.10 174.74 1stu s THR 43 N -0.35 2.03 0.33 3.92 2.01 -0.44 -4.93 115.64 118.21 1stu s THR 43 Ca 0.19 -2.07 -0.02 0.00 0.31 0.00 0.00 61.69 60.09 1stu s THR 43 Cb -0.14 -2.45 0.07 0.00 0.01 0.00 0.00 72.50 69.99 1stu s THR 43 CO 0.07 -0.51 0.45 -0.62 -0.69 0.00 0.00 174.62 173.32 1stu n GLU 44 N 4.38 0.04 -3.43 4.92 1.02 -1.26 -1.63 120.64 124.67 1stu n GLU 44 Ca 0.00 -1.00 0.01 0.00 -0.02 0.00 0.00 57.16 56.15 1stu n GLU 44 Cb 0.42 -0.36 -0.03 0.00 -0.02 0.00 0.00 31.44 31.45 1stu n GLU 44 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1stu s GLY 45 N -3.71 -0.77 -1.03 0.62 0.00 0.95 -4.69 107.32 98.70 1stu s GLY 45 Ca 0.28 2.25 -0.23 0.00 0.00 0.00 0.00 44.72 47.02 1stu s GLY 45 CO 0.19 3.22 1.52 -1.83 0.00 0.00 0.00 173.10 176.20 1stu s GLU 46 N 2.85 3.51 1.12 2.90 -1.05 -1.25 -1.36 118.70 125.42 1stu s GLU 46 Ca 0.04 -1.09 -0.17 0.00 -0.15 0.00 0.00 54.97 53.60 1stu s GLU 46 Cb -0.13 -5.34 0.25 0.00 -0.44 0.00 0.00 34.13 28.47 1stu s GLU 46 CO -0.19 -2.34 1.14 0.20 0.95 0.00 0.00 175.26 175.02 1stu s GLY 47 N 5.24 1.60 -0.30 -3.83 0.00 0.43 -4.67 107.32 105.79 1stu s GLY 47 Ca 0.49 -0.87 0.02 0.00 0.00 0.00 0.00 44.72 44.36 1stu s GLY 47 CO -0.08 -0.06 0.04 -1.31 0.00 0.00 0.00 173.10 171.69 1stu s ASN 48 N -3.97 4.32 0.00 1.64 0.01 -1.26 -1.36 114.94 114.32 1stu s ASN 48 Ca 0.70 -1.75 0.00 0.00 -0.71 0.00 0.00 52.86 51.10 1stu s ASN 48 Cb -0.11 -1.29 0.00 0.00 0.41 0.00 0.00 41.25 40.27 1stu s ASN 48 CO 0.56 -0.35 0.00 0.61 -1.51 0.00 0.00 177.10 176.40 1stu n GLY 49 N 4.54 2.60 3.47 0.66 0.00 0.25 -4.88 105.19 111.82 1stu n GLY 49 Ca -0.02 -1.73 -0.28 0.00 0.00 0.00 0.00 46.02 43.99 1stu n GLY 49 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1stu s LYS 50 N -4.10 -1.25 -1.34 1.61 2.20 -1.26 -2.71 119.74 112.89 1stu s LYS 50 Ca 0.00 0.66 0.00 0.00 -0.36 0.00 0.00 55.97 56.27 1stu s LYS 50 Cb 0.00 -1.53 0.00 0.00 -1.51 0.00 0.00 37.83 34.79 1stu s LYS 50 CO 0.00 -3.90 0.00 1.17 -0.36 0.00 0.00 175.35 172.26 1stu n LYS 51 N -5.02 -1.65 0.00 4.03 4.81 -1.26 -4.63 118.16 114.45 1stu n LYS 51 Ca 0.04 0.93 0.00 0.00 -0.87 0.00 0.00 58.31 58.41 1stu n LYS 51 Cb 0.56 -5.32 0.00 0.00 0.02 0.00 0.00 35.03 30.29 1stu n LYS 51 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1stu n VAL 52 N -2.18 0.00 -0.34 3.15 3.14 -1.10 -4.78 118.33 116.23 1stu n VAL 52 Ca -0.13 0.00 0.14 0.00 -2.96 0.00 0.00 64.34 61.39 1stu n VAL 52 Cb 0.59 -0.26 0.28 0.00 -1.06 0.00 0.00 33.84 33.39 1stu n VAL 52 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1stu n SER 53 N -1.74 -0.13 0.00 6.55 3.41 -1.24 -0.59 113.62 119.89 1stu n SER 53 Ca 0.00 1.64 0.00 0.00 -0.26 0.00 0.00 58.87 60.25 1stu n SER 53 Cb 0.21 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 1stu n SER 53 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1stu n LYS 54 N -5.45 0.00 -0.12 4.33 4.01 -1.26 -1.40 118.16 118.28 1stu n LYS 54 Ca 0.22 0.21 -0.04 0.00 -0.51 0.00 0.00 58.31 58.20 1stu n LYS 54 Cb 0.73 -1.16 -0.03 0.00 -0.51 0.00 0.00 35.03 34.06 1stu n LYS 54 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 1stu h LYS 55 N 0.00 -0.04 -0.94 1.97 3.64 -1.73 -0.33 116.57 119.15 1stu h LYS 55 Ca 0.00 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.50 1stu h LYS 55 Cb 0.00 0.01 -0.13 0.00 -0.41 0.00 0.00 32.23 31.69 1stu h LYS 55 CO 0.00 -0.03 -0.44 0.54 -2.27 0.00 0.00 179.45 177.25 1stu n ARG 56 N -3.74 -0.30 -0.14 1.90 5.12 0.24 0.13 116.66 119.88 1stu n ARG 56 Ca 0.00 1.43 -0.04 0.00 -1.93 0.00 0.00 57.85 57.31 1stu n ARG 56 Cb 0.10 -2.12 0.02 0.00 -1.16 0.00 0.00 32.46 29.30 1stu n ARG 56 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1stu h ALA 57 N 0.95 0.25 0.56 7.54 0.00 0.13 -1.18 119.26 127.51 1stu h ALA 57 Ca 0.25 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 1stu h ALA 57 Cb 0.49 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1stu h ALA 57 CO -0.91 -0.47 -0.36 0.00 0.00 0.00 0.00 179.25 177.51 1stu h ALA 58 N 1.38 -0.90 -1.03 0.00 0.00 0.76 -0.33 119.26 119.15 1stu h ALA 58 Ca 0.21 -0.17 0.26 0.00 0.00 0.00 0.00 54.91 55.21 1stu h ALA 58 Cb 0.36 0.45 -0.12 0.00 0.00 0.00 0.00 17.79 18.49 1stu h ALA 58 CO -0.47 -1.02 0.63 0.93 0.00 0.00 0.00 179.25 179.32 1stu h GLU 59 N -0.88 0.47 -0.58 0.00 5.08 -0.87 0.83 114.58 118.63 1stu h GLU 59 Ca -0.07 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1stu h GLU 59 Cb 0.72 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1stu h GLU 59 CO 0.05 0.31 0.30 -0.22 -1.00 0.00 0.00 179.01 178.46 1stu h LYS 60 N 0.48 0.82 0.04 2.33 1.63 -0.12 0.74 116.57 122.49 1stu h LYS 60 Ca 0.64 -0.11 -0.00 0.00 -0.85 0.00 0.00 60.65 60.33 1stu h LYS 60 Cb 1.40 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.87 1stu h LYS 60 CO -0.42 0.64 -0.02 1.98 -3.45 0.00 0.00 179.45 178.19 1stu h MET 61 N 0.79 -0.05 -0.27 1.90 4.05 0.22 0.60 114.93 122.17 1stu h MET 61 Ca 0.20 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.66 1stu h MET 61 Cb 0.07 0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 30.81 1stu h MET 61 CO -0.03 -0.03 -0.55 -0.07 0.23 0.00 0.00 176.91 176.46 1stu h LEU 62 N -0.07 -1.78 -0.97 3.39 3.38 -1.03 0.78 115.31 119.01 1stu h LEU 62 Ca -0.00 0.22 0.26 0.00 0.09 0.00 0.00 57.88 58.45 1stu h LEU 62 Cb 0.04 0.71 -0.13 0.00 0.09 0.00 0.00 40.66 41.36 1stu h LEU 62 CO 0.01 -0.44 0.51 0.58 0.09 0.00 0.00 178.44 179.19 1stu h VAL 63 N -0.49 0.43 0.14 1.22 2.07 -0.96 -0.26 116.25 118.40 1stu h VAL 63 Ca 0.05 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1stu h VAL 63 Cb 0.63 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1stu h VAL 63 CO -0.51 0.08 -0.16 -0.33 0.02 0.00 0.00 177.57 176.67 1stu h GLU 64 N 0.43 -0.29 -0.05 1.57 4.39 0.29 -1.23 114.58 119.69 1stu h GLU 64 Ca 0.65 0.02 0.01 0.00 0.34 0.00 0.00 59.36 60.38 1stu h GLU 64 Cb 1.32 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 30.03 1stu h GLU 64 CO -0.55 -0.20 0.18 1.37 -1.16 0.00 0.00 179.01 178.66 1stu h LEU 65 N -0.30 0.00 -0.19 1.33 -0.00 -0.29 -1.35 115.31 114.50 1stu h LEU 65 Ca -0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.82 1stu h LEU 65 Cb 0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.92 1stu h LEU 65 CO -0.03 0.00 -0.03 1.56 -0.00 0.00 0.00 178.44 179.94 1stu h GLN 66 N 0.00 0.36 0.33 0.17 1.08 0.08 -3.20 115.11 113.94 1stu h GLN 66 Ca 0.02 -0.13 -0.02 0.00 -1.45 0.00 0.00 58.65 57.08 1stu h GLN 66 Cb 0.39 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 1stu h GLN 66 CO -0.00 0.60 -0.16 0.87 -0.95 0.00 0.00 178.83 179.19 1stu h LYS 67 N 0.09 -0.43 -0.02 1.46 1.57 -0.54 -3.51 116.57 115.20 1stu h LYS 67 Ca 0.05 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1stu h LYS 67 Cb 0.46 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1stu h LYS 67 CO 0.02 -0.24 0.00 1.28 -0.57 0.00 0.00 179.45 179.94