#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 1.65 -0.62 0.52 1.08 -1.93 -3.33 117.51 114.88 1stu h ILE 2 Ca 0.00 -2.27 0.12 0.00 -0.39 0.00 0.00 64.86 62.32 1stu h ILE 2 Cb 0.00 3.15 -0.12 0.00 -3.07 0.00 0.00 36.82 36.78 1stu h ILE 2 CO 0.00 0.61 -0.21 -1.28 -0.69 0.00 0.00 178.15 176.58 1stu h SER 3 N -0.69 -0.75 -0.05 1.72 0.87 -2.02 -0.99 113.55 111.65 1stu h SER 3 Ca -0.05 0.20 0.03 0.00 -1.23 0.00 0.00 61.79 60.75 1stu h SER 3 Cb 1.16 0.45 -0.06 0.00 -0.44 0.00 0.00 62.40 63.51 1stu h SER 3 CO 0.05 -0.24 -0.44 0.06 -0.53 0.00 0.00 176.83 175.74 1stu h GLN 4 N -0.05 -0.54 0.29 2.24 3.07 -2.00 -0.13 115.11 117.98 1stu h GLN 4 Ca 0.29 0.04 0.00 0.00 0.09 0.00 0.00 58.65 59.07 1stu h GLN 4 Cb 0.50 0.12 -0.03 0.00 0.08 0.00 0.00 27.48 28.15 1stu h GLN 4 CO -0.66 -0.36 -0.44 0.28 0.09 0.00 0.00 178.83 177.74 1stu h VAL 5 N -0.56 0.13 -1.40 1.86 2.07 -1.44 0.28 116.25 117.19 1stu h VAL 5 Ca 0.05 0.00 0.44 0.00 0.82 0.00 0.00 66.70 68.01 1stu h VAL 5 Cb 0.66 0.13 -0.11 0.00 -1.52 0.00 0.00 31.29 30.44 1stu h VAL 5 CO -0.35 0.00 0.93 0.45 0.02 0.00 0.00 177.57 178.62 1stu h HIS 6 N -0.79 0.42 0.00 1.57 3.86 -0.76 0.49 115.15 119.93 1stu h HIS 6 Ca -0.02 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1stu h HIS 6 Cb 0.74 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 29.11 1stu h HIS 6 CO -0.30 -0.15 0.00 0.39 0.86 0.00 0.00 177.93 178.73 1stu n GLU 7 N -4.54 0.00 -0.12 2.45 1.02 0.85 -1.70 120.64 118.61 1stu n GLU 7 Ca 0.37 0.41 -0.05 0.00 -0.02 0.00 0.00 57.16 57.87 1stu n GLU 7 Cb 1.48 -1.13 0.03 0.00 -0.02 0.00 0.00 31.44 31.79 1stu n GLU 7 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1stu h ILE 8 N 0.00 0.75 0.26 -3.67 -0.00 -0.47 0.66 117.51 115.04 1stu h ILE 8 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 64.86 64.81 1stu h ILE 8 Cb 0.00 0.59 -0.04 0.00 -0.00 0.00 0.00 36.82 37.37 1stu h ILE 8 CO 0.00 0.03 -0.49 1.23 -0.00 0.00 0.00 178.15 178.92 1stu h GLY 9 N 0.15 -1.11 0.66 8.18 0.00 -0.17 0.13 103.07 110.91 1stu h GLY 9 Ca 0.19 0.58 -0.01 0.00 0.00 0.00 0.00 47.33 48.10 1stu h GLY 9 CO -0.28 -0.30 -0.07 -2.22 0.00 0.00 0.00 176.54 173.67 1stu h ILE 10 N -0.82 1.01 0.00 2.60 1.08 -1.13 2.01 117.51 122.26 1stu h ILE 10 Ca -0.02 -0.71 0.00 0.00 -0.39 0.00 0.00 64.86 63.74 1stu h ILE 10 Cb 0.78 1.45 0.00 0.00 -3.07 0.00 0.00 36.82 35.98 1stu h ILE 10 CO -0.20 0.17 0.22 0.50 -0.69 0.00 0.00 178.15 178.16 1stu h LYS 11 N -0.53 0.00 0.00 2.37 3.64 -0.79 -1.43 116.57 119.83 1stu h LYS 11 Ca -0.02 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1stu h LYS 11 Cb 0.42 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1stu h LYS 11 CO 0.03 0.00 -0.20 2.89 -2.27 0.00 0.00 179.45 179.90 1stu n ARG 12 N -2.86 1.25 0.00 1.90 -4.01 0.43 -4.95 116.66 108.42 1stu n ARG 12 Ca -0.02 -2.67 0.00 0.00 -1.04 0.00 0.00 57.85 54.12 1stu n ARG 12 Cb 0.27 -1.43 0.00 0.00 -3.04 0.00 0.00 32.46 28.26 1stu n ARG 12 CO 0.00 0.00 0.00 -1.71 -3.04 0.00 0.00 177.63 172.88 1stu n ASN 13 N -1.21 0.00 -4.56 2.89 4.05 -0.54 -4.94 115.26 110.96 1stu n ASN 13 Ca 0.16 0.00 -0.39 0.00 0.45 0.00 0.00 54.58 54.79 1stu n ASN 13 Cb 0.67 -0.16 -0.03 0.00 1.23 0.00 0.00 39.78 41.49 1stu n ASN 13 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 177.26 174.17 1stu s MET 14 N 0.00 3.29 1.01 1.20 -1.94 0.67 -4.06 119.30 119.48 1stu s MET 14 Ca 0.00 -0.64 -0.22 0.00 -1.71 0.00 0.00 55.69 53.12 1stu s MET 14 Cb 0.00 -4.88 -0.12 0.00 2.01 0.00 0.00 34.83 31.83 1stu s MET 14 CO 0.00 -2.34 -0.98 2.41 -0.01 0.00 0.00 175.02 174.10 1stu n THR 15 N 6.84 0.00 -3.35 2.05 -1.04 -1.25 -2.86 114.28 114.67 1stu n THR 15 Ca 0.23 -0.20 -0.26 0.00 -2.04 0.00 0.00 64.05 61.78 1stu n THR 15 Cb 0.50 -0.13 -0.09 0.00 -1.82 0.00 0.00 70.33 68.78 1stu n THR 15 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1stu n VAL 16 N -3.35 -1.07 -3.40 12.58 0.31 -1.00 -3.53 118.33 118.88 1stu n VAL 16 Ca -0.01 -3.57 -0.45 0.00 -0.01 0.00 0.00 64.34 60.30 1stu n VAL 16 Cb 0.67 -1.73 -0.04 0.00 -0.91 0.00 0.00 33.84 31.83 1stu n VAL 16 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1stu s HIS 17 N -0.24 3.64 -0.48 3.52 3.76 -0.81 -4.83 115.29 119.87 1stu s HIS 17 Ca 0.33 -2.02 -0.29 0.00 -0.15 0.00 0.00 55.06 52.93 1stu s HIS 17 Cb 0.07 -3.71 0.03 0.00 1.11 0.00 0.00 32.58 30.08 1stu s HIS 17 CO -0.18 -0.97 1.13 -0.06 -0.85 0.00 0.00 174.74 173.81 1stu s PHE 18 N 0.32 2.82 -0.11 1.40 0.08 -1.26 -1.59 117.98 119.64 1stu s PHE 18 Ca 0.16 0.71 -0.01 0.00 0.12 0.00 0.00 56.93 57.91 1stu s PHE 18 Cb -0.14 -4.42 0.03 0.00 -0.57 0.00 0.00 43.02 37.91 1stu s PHE 18 CO -0.06 -1.27 -0.04 0.21 -0.10 0.00 0.00 175.22 173.96 1stu s LYS 19 N 4.44 1.20 0.15 0.44 2.47 -0.03 -5.01 119.74 123.39 1stu s LYS 19 Ca 0.48 -0.18 -0.30 0.00 -1.56 0.00 0.00 55.97 54.41 1stu s LYS 19 Cb -0.07 -1.47 -0.07 0.00 -1.46 0.00 0.00 37.83 34.76 1stu s LYS 19 CO 0.32 -0.31 0.96 0.08 0.16 0.00 0.00 175.35 176.55 1stu s VAL 20 N 1.79 4.37 -0.55 4.02 1.01 -1.26 -0.82 120.40 128.96 1stu s VAL 20 Ca 0.04 2.07 0.22 0.00 0.00 0.00 0.00 61.98 64.31 1stu s VAL 20 Cb -0.13 -4.32 -0.17 0.00 0.00 0.00 0.00 36.38 31.76 1stu s VAL 20 CO -0.07 0.36 0.90 0.18 0.00 0.00 0.00 175.10 176.47 1stu n LEU 21 N 2.44 0.57 0.00 3.92 4.77 -0.61 -4.88 117.00 123.20 1stu n LEU 21 Ca 0.01 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1stu n LEU 21 Cb 0.49 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1stu n LEU 21 CO 0.51 0.06 0.00 -2.11 -1.33 0.00 0.00 177.39 174.52 1stu n ARG 22 N -1.97 0.00 -0.74 3.23 1.85 -1.25 -4.90 116.66 112.87 1stu n ARG 22 Ca 0.01 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.66 1stu n ARG 22 Cb 0.45 0.00 0.07 0.00 -1.05 0.00 0.00 32.46 31.93 1stu n ARG 22 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1stu n GLU 23 N -0.05 -0.88 -2.91 2.89 0.00 -1.26 -2.37 120.64 116.05 1stu n GLU 23 Ca 0.00 -0.26 -0.44 0.00 0.00 0.00 0.00 57.16 56.47 1stu n GLU 23 Cb 0.00 -1.23 -0.03 0.00 0.00 0.00 0.00 31.44 30.17 1stu n GLU 23 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1stu s GLU 24 N -2.62 3.26 7.94 5.31 2.02 -1.20 -4.64 118.70 128.77 1stu s GLU 24 Ca 0.28 -1.20 0.00 0.00 0.02 0.00 0.00 54.97 54.07 1stu s GLU 24 Cb -0.00 -4.46 0.00 0.00 0.10 0.00 0.00 34.13 29.77 1stu s GLU 24 CO 0.37 -1.77 0.00 0.41 0.02 0.00 0.00 175.26 174.30 1stu n GLY 25 N 5.38 3.91 0.00 -1.39 0.00 -1.26 -4.57 105.19 107.26 1stu n GLY 25 Ca 0.04 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 13.73 3.23 0.00 1.61 -0.04 -1.26 -4.32 135.00 147.95 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 -2.71 0.55 0.00 -1.26 -4.67 120.51 109.42 1stu n ALA 27 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1stu n ALA 27 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 -1.48 -1.88 0.00 -0.00 -1.26 -4.72 115.22 105.88 1stu n HIS 28 Ca 0.00 0.21 -0.02 0.00 -0.00 0.00 0.00 57.72 57.92 1stu n HIS 28 Cb 0.00 -3.78 -0.02 0.00 -0.00 0.00 0.00 29.99 26.20 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 -3.37 0.00 0.00 -0.41 2.81 -1.26 -4.98 117.12 109.91 1stu n MET 29 Ca -0.16 -0.22 0.00 0.00 -1.81 0.00 0.00 57.70 55.51 1stu n MET 29 Cb 0.64 0.13 0.00 0.00 -0.71 0.00 0.00 33.22 33.27 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 -3.17 0.03 5.02 -1.26 -4.88 118.16 113.89 1stu n LYS 30 Ca -0.06 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.82 1stu n LYS 30 Cb 0.48 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.42 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 1.00 6.46 -0.13 4.39 -0.87 -1.26 0.00 114.94 124.54 1stu s ASN 31 Ca 0.00 0.45 -0.20 0.00 -1.57 0.00 0.00 52.86 51.55 1stu s ASN 31 Cb 0.00 -2.31 -0.04 0.00 -0.02 0.00 0.00 41.25 38.89 1stu s ASN 31 CO 0.00 -0.39 0.55 -0.36 -2.57 0.00 0.00 177.10 174.33 1stu s PHE 32 N 2.46 3.49 -0.77 2.20 0.40 -0.41 -3.26 117.98 122.08 1stu s PHE 32 Ca 0.23 0.96 -0.21 0.00 -0.60 0.00 0.00 56.93 57.31 1stu s PHE 32 Cb -0.15 -2.65 0.09 0.00 0.51 0.00 0.00 43.02 40.82 1stu s PHE 32 CO 0.10 0.08 1.03 0.42 0.70 0.00 0.00 175.22 177.56 1stu s ILE 33 N 0.93 4.47 -0.36 0.64 -1.09 -1.00 -0.31 121.20 124.49 1stu s ILE 33 Ca 0.29 -0.84 -0.21 0.00 -2.23 0.00 0.00 60.65 57.65 1stu s ILE 33 Cb -0.16 -4.73 0.00 0.00 -1.58 0.00 0.00 42.46 36.00 1stu s ILE 33 CO 0.12 -1.49 0.67 -0.89 -1.23 0.00 0.00 174.94 172.12 1stu s THR 34 N 3.55 4.85 -0.03 2.92 2.01 -0.43 -1.58 115.64 126.93 1stu s THR 34 Ca 0.27 0.65 -0.28 0.00 0.31 0.00 0.00 61.69 62.64 1stu s THR 34 Cb -0.12 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.25 1stu s THR 34 CO 0.02 -0.34 0.88 0.00 -0.69 0.00 0.00 174.62 174.49 1stu s ALA 35 N 2.80 3.25 -0.19 7.40 0.00 -0.00 0.26 121.76 135.27 1stu s ALA 35 Ca 0.26 0.37 0.01 0.00 0.00 0.00 0.00 51.96 52.60 1stu s ALA 35 Cb -0.14 -3.21 0.04 0.00 0.00 0.00 0.00 23.12 19.81 1stu s ALA 35 CO 0.15 -0.22 -0.13 0.00 0.00 0.00 0.00 175.76 175.56 1stu s ILE 37 N 1.37 4.39 -0.02 0.00 -1.16 -0.62 -1.53 121.20 123.63 1stu s ILE 37 Ca 0.01 2.04 0.02 0.00 -0.51 0.00 0.00 60.65 62.20 1stu s ILE 37 Cb -0.15 -4.31 0.01 0.00 0.61 0.00 0.00 42.46 38.62 1stu s ILE 37 CO -0.09 0.38 -0.05 -0.69 -2.81 0.00 0.00 174.94 171.68 1stu s VAL 38 N -0.38 0.46 0.00 4.00 1.01 -0.53 -1.92 120.40 123.04 1stu s VAL 38 Ca 0.44 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.23 1stu s VAL 38 Cb -0.24 -0.43 0.00 0.00 0.00 0.00 0.00 36.38 35.71 1stu s VAL 38 CO 0.30 0.16 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1stu n GLY 39 N 3.33 3.24 0.64 4.51 0.00 -1.26 -1.02 105.19 114.63 1stu n GLY 39 Ca -0.18 0.11 0.06 0.00 0.00 0.00 0.00 46.02 46.02 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 4.58 2.62 -4.35 1.61 7.64 -1.26 -4.45 113.62 120.01 1stu n SER 40 Ca 0.00 -1.79 -0.28 0.00 1.01 0.00 0.00 58.87 57.81 1stu n SER 40 Cb 0.00 -0.15 -0.13 0.00 -1.01 0.00 0.00 64.21 62.92 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 -1.03 2.10 -0.03 0.44 1.01 -0.19 -5.13 121.20 118.38 1stu s ILE 41 Ca 0.21 -1.60 0.01 0.00 0.00 0.00 0.00 60.65 59.28 1stu s ILE 41 Cb 0.12 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 1stu s ILE 41 CO 0.17 0.14 -0.01 -0.69 0.00 0.00 0.00 174.94 174.55 1stu s VAL 42 N -1.00 4.12 -0.16 2.92 1.01 -1.26 -1.45 120.40 124.58 1stu s VAL 42 Ca 0.12 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 1stu s VAL 42 Cb -0.10 -2.80 0.05 0.00 0.00 0.00 0.00 36.38 33.53 1stu s VAL 42 CO 0.04 0.45 -0.01 0.42 0.00 0.00 0.00 175.10 176.00 1stu s THR 43 N -1.01 0.78 0.00 3.92 -4.23 -0.58 -4.95 115.64 109.57 1stu s THR 43 Ca 0.17 -0.49 0.00 0.00 -1.18 0.00 0.00 61.69 60.19 1stu s THR 43 Cb -0.11 -1.08 0.00 0.00 1.34 0.00 0.00 72.50 72.65 1stu s THR 43 CO 0.07 0.02 0.00 -0.62 -0.54 0.00 0.00 174.62 173.55 1stu n GLU 44 N 4.98 0.66 -3.36 3.99 1.02 -1.26 -1.48 120.64 125.19 1stu n GLU 44 Ca -0.10 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.06 1stu n GLU 44 Cb 0.48 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.87 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 -2.30 -0.82 -1.18 0.62 0.00 0.14 -4.63 107.32 99.16 1stu s GLY 45 Ca 0.00 2.15 -0.21 0.00 0.00 0.00 0.00 44.72 46.67 1stu s GLY 45 CO 0.00 3.27 1.69 -1.83 0.00 0.00 0.00 173.10 176.23 1stu s GLU 46 N 2.86 3.58 -0.21 2.90 1.03 -1.24 -1.31 118.70 126.31 1stu s GLU 46 Ca 0.08 -1.52 -0.23 0.00 0.03 0.00 0.00 54.97 53.33 1stu s GLU 46 Cb -0.13 -5.42 -0.02 0.00 -0.80 0.00 0.00 34.13 27.77 1stu s GLU 46 CO -0.20 -2.54 0.74 0.20 -1.33 0.00 0.00 175.26 172.13 1stu s GLY 47 N 5.00 1.97 -0.88 -3.83 0.00 0.58 -4.55 107.32 105.60 1stu s GLY 47 Ca 0.55 -0.16 -0.20 0.00 0.00 0.00 0.00 44.72 44.91 1stu s GLY 47 CO 0.03 1.56 2.37 0.70 0.00 0.00 0.00 173.10 177.76 1stu n ASN 48 N 5.41 0.19 0.00 1.64 5.03 -1.26 -1.29 115.26 124.99 1stu n ASN 48 Ca 0.02 -0.63 0.00 0.00 0.87 0.00 0.00 54.58 54.85 1stu n ASN 48 Cb 0.49 -1.03 0.00 0.00 -1.02 0.00 0.00 39.78 38.22 1stu n ASN 48 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1stu n GLY 49 N 6.10 0.00 3.65 7.41 0.00 0.10 -4.26 105.19 118.19 1stu n GLY 49 Ca 0.58 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.32 1stu n GLY 49 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1stu n LYS 50 N 0.00 -1.10 -2.24 1.61 5.02 -1.26 0.38 118.16 120.57 1stu n LYS 50 Ca 0.00 0.09 -0.05 0.00 -2.02 0.00 0.00 58.31 56.34 1stu n LYS 50 Cb 0.00 -3.82 0.02 0.00 -0.02 0.00 0.00 35.03 31.21 1stu n LYS 50 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1stu n LYS 51 N -3.16 -0.87 0.00 1.97 4.81 -1.26 -4.96 118.16 114.69 1stu n LYS 51 Ca 0.08 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 58.06 1stu n LYS 51 Cb 0.37 -3.39 0.00 0.00 0.02 0.00 0.00 35.03 32.04 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 -2.00 0.00 -0.07 3.15 3.14 0.16 -4.92 118.33 117.79 1stu n VAL 52 Ca -0.02 0.00 0.05 0.00 -2.96 0.00 0.00 64.34 61.41 1stu n VAL 52 Cb 0.54 -0.12 0.10 0.00 -1.06 0.00 0.00 33.84 33.30 1stu n VAL 52 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1stu n SER 53 N -1.95 0.03 0.26 6.55 7.64 -1.20 0.86 113.62 125.80 1stu n SER 53 Ca 0.00 0.37 -0.11 0.00 1.01 0.00 0.00 58.87 60.13 1stu n SER 53 Cb 0.00 -0.16 -0.06 0.00 -1.01 0.00 0.00 64.21 62.99 1stu n SER 53 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1stu h LYS 54 N 0.00 -0.69 -0.86 1.43 1.57 -1.91 -0.05 116.57 116.06 1stu h LYS 54 Ca 0.16 0.05 0.18 0.00 -1.87 0.00 0.00 60.65 59.17 1stu h LYS 54 Cb 0.38 0.16 -0.11 0.00 0.08 0.00 0.00 32.23 32.74 1stu h LYS 54 CO -0.19 -0.44 0.39 -0.22 -0.57 0.00 0.00 179.45 178.42 1stu h LYS 55 N -1.17 0.48 -0.17 3.15 3.64 0.10 0.91 116.57 123.51 1stu h LYS 55 Ca -0.07 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.15 1stu h LYS 55 Cb 0.57 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1stu h LYS 55 CO 0.12 0.31 -0.46 -0.09 -2.27 0.00 0.00 179.45 177.07 1stu h ARG 56 N 0.49 0.41 0.09 1.90 9.65 -1.29 -1.67 114.38 123.96 1stu h ARG 56 Ca 0.50 -0.22 -0.00 0.00 -1.10 0.00 0.00 59.98 59.15 1stu h ARG 56 Cb 0.84 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.43 1stu h ARG 56 CO -0.45 0.79 -0.04 0.00 2.80 0.00 0.00 179.97 183.07 1stu h ALA 57 N 1.17 -0.12 0.17 2.80 0.00 0.11 -1.07 119.26 122.32 1stu h ALA 57 Ca 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1stu h ALA 57 Cb 0.94 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1stu h ALA 57 CO 0.08 -0.45 -0.08 0.00 0.00 0.00 0.00 179.25 178.80 1stu h ALA 58 N 0.53 -0.22 -0.76 0.00 0.00 -1.25 0.69 119.26 118.25 1stu h ALA 58 Ca -0.01 -0.07 0.15 0.00 0.00 0.00 0.00 54.91 54.98 1stu h ALA 58 Cb 0.30 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.08 1stu h ALA 58 CO 0.02 -0.60 0.30 0.93 0.00 0.00 0.00 179.25 179.90 1stu h GLU 59 N -0.27 0.42 -0.57 0.00 5.08 -1.29 0.65 114.58 118.60 1stu h GLU 59 Ca -0.02 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1stu h GLU 59 Cb 0.21 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1stu h GLU 59 CO 0.04 0.28 0.28 0.87 -1.00 0.00 0.00 179.01 179.48 1stu h LYS 60 N 0.43 0.79 0.00 2.33 6.56 -0.57 0.32 116.57 126.43 1stu h LYS 60 Ca 0.42 -0.09 0.00 0.00 -1.06 0.00 0.00 60.65 59.92 1stu h LYS 60 Cb 0.65 -0.15 0.00 0.00 -0.57 0.00 0.00 32.23 32.16 1stu h LYS 60 CO -0.41 0.61 0.00 -0.12 -2.06 0.00 0.00 179.45 177.46 1stu n MET 61 N -4.37 0.00 -0.12 3.15 1.56 0.21 -0.58 117.12 116.97 1stu n MET 61 Ca 0.05 0.43 -0.06 0.00 -0.27 0.00 0.00 57.70 57.85 1stu n MET 61 Cb 0.12 -1.18 0.00 0.00 2.15 0.00 0.00 33.22 34.32 1stu n MET 61 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 1stu h LEU 62 N 0.00 -0.82 -1.04 -0.89 3.38 -1.02 0.71 115.31 115.64 1stu h LEU 62 Ca 0.00 0.17 0.18 0.00 0.09 0.00 0.00 57.88 58.31 1stu h LEU 62 Cb 0.00 0.42 -0.10 0.00 0.09 0.00 0.00 40.66 41.07 1stu h LEU 62 CO 0.00 -0.27 0.62 0.58 0.09 0.00 0.00 178.44 179.46 1stu h VAL 63 N -0.17 0.75 0.55 1.22 2.07 -1.04 -0.99 116.25 118.64 1stu h VAL 63 Ca 0.19 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 1stu h VAL 63 Cb 0.48 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1stu h VAL 63 CO -0.51 0.15 -0.28 -0.33 0.02 0.00 0.00 177.57 176.62 1stu h GLU 64 N 0.80 -0.73 -0.54 1.57 4.39 0.29 -2.53 114.58 117.82 1stu h GLU 64 Ca 0.56 0.05 0.16 0.00 0.34 0.00 0.00 59.36 60.46 1stu h GLU 64 Cb 0.82 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.62 1stu h GLU 64 CO -0.34 -0.49 0.44 1.37 -1.16 0.00 0.00 179.01 178.83 1stu h LEU 65 N -0.76 0.00 0.32 1.33 -0.00 -0.74 -2.48 115.31 112.97 1stu h LEU 65 Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.80 1stu h LEU 65 Cb 0.59 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.23 1stu h LEU 65 CO 0.11 0.00 -0.39 1.56 -0.00 0.00 0.00 178.44 179.72 1stu h GLN 66 N 0.00 -0.70 -1.01 0.17 1.08 -0.75 -2.05 115.11 111.86 1stu h GLN 66 Ca 0.26 0.05 0.11 0.00 -1.45 0.00 0.00 58.65 57.62 1stu h GLN 66 Cb 1.13 0.16 -0.08 0.00 -0.05 0.00 0.00 27.48 28.64 1stu h GLN 66 CO -0.00 -0.47 0.64 0.87 -0.95 0.00 0.00 178.83 178.92 1stu h LYS 67 N -0.72 0.99 -0.00 1.46 1.57 -1.39 -3.52 116.57 114.96 1stu h LYS 67 Ca -0.04 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1stu h LYS 67 Cb 0.65 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1stu h LYS 67 CO -0.09 0.66 0.00 1.28 -0.57 0.00 0.00 179.45 180.73