#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 -0.28 4.25 1.08 -1.91 -2.74 117.51 117.90 1stu h ILE 2 Ca 0.00 -0.04 0.08 0.00 -0.39 0.00 0.00 64.86 64.51 1stu h ILE 2 Cb 0.00 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.74 1stu h ILE 2 CO 0.00 0.00 0.43 0.77 -0.69 0.00 0.00 178.15 178.66 1stu h SER 3 N -0.04 0.00 0.27 1.72 4.64 -2.00 0.49 113.55 118.63 1stu h SER 3 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1stu h SER 3 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1stu h SER 3 CO 0.00 0.00 -0.13 1.56 -0.87 0.00 0.00 176.83 177.39 1stu h GLN 4 N 0.00 -0.36 0.60 4.77 4.20 -1.99 0.32 115.11 122.66 1stu h GLN 4 Ca 0.13 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 1stu h GLN 4 Cb 0.99 0.08 0.01 0.00 0.30 0.00 0.00 27.48 28.86 1stu h GLN 4 CO -0.00 -0.03 -0.29 0.28 -0.67 0.00 0.00 178.83 178.11 1stu h VAL 5 N -0.71 0.41 -1.11 -0.54 2.07 -0.63 -0.45 116.25 115.29 1stu h VAL 5 Ca -0.04 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.81 1stu h VAL 5 Cb 0.48 0.41 -0.12 0.00 -1.52 0.00 0.00 31.29 30.55 1stu h VAL 5 CO 0.06 0.00 0.70 0.45 0.02 0.00 0.00 177.57 178.80 1stu h HIS 6 N -0.81 0.69 0.40 1.57 3.86 -1.29 0.44 115.15 120.01 1stu h HIS 6 Ca -0.08 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.13 1stu h HIS 6 Cb 0.62 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.91 1stu h HIS 6 CO -0.03 -0.06 -0.19 0.93 0.86 0.00 0.00 177.93 179.43 1stu h GLU 7 N 0.30 -0.52 -0.02 2.45 5.08 0.67 -1.88 114.58 120.68 1stu h GLU 7 Ca 0.69 0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 59.08 1stu h GLU 7 Cb 1.82 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 31.19 1stu h GLU 7 CO -0.40 -0.35 -0.00 -0.84 -1.00 0.00 0.00 179.01 176.42 1stu h ILE 8 N -0.59 1.28 -0.56 3.13 -0.00 -0.42 -0.96 117.51 119.38 1stu h ILE 8 Ca -0.06 -0.82 0.11 0.00 -0.00 0.00 0.00 64.86 64.09 1stu h ILE 8 Cb 0.41 1.80 -0.11 0.00 -0.00 0.00 0.00 36.82 38.92 1stu h ILE 8 CO 0.09 0.22 -0.24 1.23 -0.00 0.00 0.00 178.15 179.44 1stu h GLY 9 N -0.31 0.13 0.75 0.16 0.00 -0.26 0.65 103.07 104.20 1stu h GLY 9 Ca 0.00 0.32 -0.08 0.00 0.00 0.00 0.00 47.33 47.58 1stu h GLY 9 CO 0.00 -0.22 -0.21 -2.22 0.00 0.00 0.00 176.54 173.89 1stu h ILE 10 N -0.11 1.36 0.00 2.60 1.08 -1.30 2.31 117.51 123.46 1stu h ILE 10 Ca 0.25 -1.43 0.00 0.00 -0.39 0.00 0.00 64.86 63.29 1stu h ILE 10 Cb 0.50 1.96 0.00 0.00 -3.07 0.00 0.00 36.82 36.22 1stu h ILE 10 CO -0.63 0.42 0.00 0.29 -0.69 0.00 0.00 178.15 177.54 1stu n LYS 11 N -4.49 0.06 -0.00 2.37 4.76 -0.37 -1.85 118.16 118.64 1stu n LYS 11 Ca -0.06 0.28 0.00 0.00 -2.87 0.00 0.00 58.31 55.66 1stu n LYS 11 Cb 0.41 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.10 1stu n LYS 11 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1stu n ARG 12 N -1.41 2.32 0.00 1.97 5.12 0.22 -4.96 116.66 119.92 1stu n ARG 12 Ca 0.03 -1.27 0.00 0.00 -1.93 0.00 0.00 57.85 54.68 1stu n ARG 12 Cb 0.09 -0.89 0.00 0.00 -1.16 0.00 0.00 32.46 30.51 1stu n ARG 12 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1stu n ASN 13 N -0.39 0.00 -4.55 0.55 2.85 -0.11 -4.94 115.26 108.66 1stu n ASN 13 Ca 0.00 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 54.08 1stu n ASN 13 Cb 0.31 -0.01 -0.03 0.00 1.24 0.00 0.00 39.78 41.28 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 0.00 3.09 0.76 1.20 -1.94 0.76 -4.22 119.30 118.95 1stu s MET 14 Ca 0.00 -0.26 -0.16 0.00 -1.71 0.00 0.00 55.69 53.56 1stu s MET 14 Cb 0.00 -4.59 -0.08 0.00 2.01 0.00 0.00 34.83 32.18 1stu s MET 14 CO 0.00 -2.42 0.10 0.25 -0.01 0.00 0.00 175.02 172.93 1stu n THR 15 N 6.84 0.84 -3.71 2.05 -2.24 -1.25 -3.19 114.28 113.61 1stu n THR 15 Ca 0.18 -0.42 -0.30 0.00 -2.27 0.00 0.00 64.05 61.24 1stu n THR 15 Cb 0.50 -0.42 -0.13 0.00 -2.10 0.00 0.00 70.33 68.18 1stu n THR 15 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1stu s VAL 16 N -2.00 1.36 -0.57 2.28 1.01 -1.13 -3.31 120.40 118.04 1stu s VAL 16 Ca 0.57 -2.50 -0.01 0.00 0.00 0.00 0.00 61.98 60.04 1stu s VAL 16 Cb -0.33 -1.96 0.15 0.00 0.00 0.00 0.00 36.38 34.24 1stu s VAL 16 CO 0.66 -0.89 0.36 -1.00 0.00 0.00 0.00 175.10 174.23 1stu s HIS 17 N 0.41 3.40 -0.16 5.22 3.76 -0.86 -4.84 115.29 122.22 1stu s HIS 17 Ca 0.17 -2.79 -0.29 0.00 -0.15 0.00 0.00 55.06 52.00 1stu s HIS 17 Cb -0.24 -3.12 -0.00 0.00 1.11 0.00 0.00 32.58 30.33 1stu s HIS 17 CO -0.00 -0.84 1.03 -0.06 -0.85 0.00 0.00 174.74 174.02 1stu s PHE 18 N 0.06 3.42 -0.23 1.40 0.08 -1.26 -1.44 117.98 120.01 1stu s PHE 18 Ca 0.16 1.52 -0.04 0.00 0.12 0.00 0.00 56.93 58.69 1stu s PHE 18 Cb -0.22 -3.23 0.12 0.00 -0.57 0.00 0.00 43.02 39.12 1stu s PHE 18 CO -0.03 -0.38 0.37 0.15 -0.10 0.00 0.00 175.22 175.23 1stu s LYS 19 N 2.55 0.33 -0.18 0.44 1.02 0.04 -4.98 119.74 118.95 1stu s LYS 19 Ca 0.47 0.62 -0.29 0.00 0.02 0.00 0.00 55.97 56.78 1stu s LYS 19 Cb -0.17 -0.35 -0.00 0.00 -0.52 0.00 0.00 37.83 36.79 1stu s LYS 19 CO 0.13 -0.56 1.10 0.08 -0.92 0.00 0.00 175.35 175.18 1stu s VAL 20 N 2.54 4.57 -0.46 3.17 1.01 -1.26 -0.93 120.40 129.03 1stu s VAL 20 Ca 0.09 1.88 0.05 0.00 0.00 0.00 0.00 61.98 64.00 1stu s VAL 20 Cb -0.15 -4.21 0.13 0.00 0.00 0.00 0.00 36.38 32.16 1stu s VAL 20 CO -0.15 -0.12 1.07 0.00 0.00 0.00 0.00 175.10 175.90 1stu n LEU 21 N 6.08 2.33 -3.05 3.92 -0.00 -1.04 -4.84 117.00 120.41 1stu n LEU 21 Ca 0.12 -1.89 -0.13 0.00 -0.00 0.00 0.00 56.01 54.10 1stu n LEU 21 Cb 0.46 -0.10 -0.04 0.00 -0.00 0.00 0.00 43.42 43.75 1stu n LEU 21 CO 0.53 0.58 -0.06 -0.13 -0.00 0.00 0.00 177.39 178.31 1stu s ARG 22 N -0.94 0.97 -0.87 1.47 3.00 -1.23 -4.98 118.95 116.38 1stu s ARG 22 Ca 0.10 -1.41 -0.25 0.00 0.00 0.00 0.00 55.73 54.18 1stu s ARG 22 Cb 0.06 -0.59 0.00 0.00 0.00 0.00 0.00 34.95 34.42 1stu s ARG 22 CO 0.07 -1.34 1.64 -1.21 0.00 0.00 0.00 175.30 174.46 1stu s GLU 23 N 0.65 3.04 2.44 3.54 8.01 -1.26 -1.56 118.70 133.56 1stu s GLU 23 Ca 0.30 -0.43 0.00 0.00 0.01 0.00 0.00 54.97 54.85 1stu s GLU 23 Cb 0.00 -4.90 0.00 0.00 -4.31 0.00 0.00 34.13 24.92 1stu s GLU 23 CO -0.10 -2.64 0.00 -1.91 0.01 0.00 0.00 175.26 170.61 1stu n GLU 24 N 9.02 0.00 -0.08 1.61 2.13 0.16 -4.95 120.64 128.53 1stu n GLU 24 Ca 0.28 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.10 1stu n GLU 24 Cb 0.50 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.21 1stu n GLU 24 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1stu n GLY 25 N 0.00 -0.77 0.04 8.31 0.00 -1.26 -4.89 105.19 106.63 1stu n GLY 25 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 46.02 45.67 1stu n GLY 25 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1stu h PRO 26 N 0.00 -0.08 -1.50 1.61 0.11 -2.02 -3.46 132.00 126.66 1stu h PRO 26 Ca 0.00 0.01 0.12 0.00 0.11 0.00 0.00 66.00 66.24 1stu h PRO 26 Cb 0.00 0.02 -0.23 0.00 0.11 0.00 0.00 31.00 30.90 1stu h PRO 26 CO 0.00 -0.05 0.11 0.00 -0.21 0.00 0.00 178.00 177.85 1stu s ALA 27 N -3.52 -2.36 0.00 -0.75 0.00 -1.26 -5.04 121.76 108.83 1stu s ALA 27 Ca -0.01 2.21 0.00 0.00 0.00 0.00 0.00 51.96 54.15 1stu s ALA 27 Cb 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.26 1stu s ALA 27 CO 0.05 -0.81 0.00 -2.39 0.00 0.00 0.00 175.76 172.61 1stu n HIS 28 N 4.90 0.00 -1.23 0.00 1.44 -1.26 -5.09 115.22 113.97 1stu n HIS 28 Ca -0.12 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.59 1stu n HIS 28 Cb 0.53 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.64 1stu n HIS 28 CO 0.00 0.00 0.00 -0.12 -2.81 0.00 0.00 176.34 173.41 1stu n MET 29 N 0.00 -0.92 -0.79 -1.40 0.00 -1.26 -4.60 117.12 108.15 1stu n MET 29 Ca 0.00 1.08 -0.14 0.00 -0.00 0.00 0.00 57.70 58.64 1stu n MET 29 Cb 0.00 -1.24 -0.11 0.00 0.00 0.00 0.00 33.22 31.87 1stu n MET 29 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1stu n LYS 30 N 0.32 0.00 -3.33 2.12 4.01 -1.26 -4.77 118.16 115.25 1stu n LYS 30 Ca 0.00 0.00 -0.19 0.00 -0.51 0.00 0.00 58.31 57.61 1stu n LYS 30 Cb 0.00 -0.59 -0.02 0.00 -0.51 0.00 0.00 35.03 33.91 1stu n LYS 30 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1stu n ASN 31 N 3.50 2.47 -3.68 4.39 6.94 -1.26 0.26 115.26 127.88 1stu n ASN 31 Ca 0.36 -2.34 -0.10 0.00 -0.02 0.00 0.00 54.58 52.48 1stu n ASN 31 Cb 0.06 0.08 -0.11 0.00 -2.36 0.00 0.00 39.78 37.45 1stu n ASN 31 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 1stu s PHE 32 N -1.96 -0.63 -0.83 -2.53 0.40 -0.49 0.37 117.98 112.31 1stu s PHE 32 Ca 0.12 1.30 -0.20 0.00 -0.60 0.00 0.00 56.93 57.55 1stu s PHE 32 Cb -0.01 0.23 0.11 0.00 0.51 0.00 0.00 43.02 43.87 1stu s PHE 32 CO 0.08 -0.38 1.04 0.42 0.70 0.00 0.00 175.22 177.08 1stu s ILE 33 N 1.89 4.65 -0.40 0.64 -1.09 -0.60 -0.10 121.20 126.19 1stu s ILE 33 Ca -0.06 -1.23 -0.23 0.00 -2.23 0.00 0.00 60.65 56.90 1stu s ILE 33 Cb -0.10 -4.72 0.02 0.00 -1.58 0.00 0.00 42.46 36.07 1stu s ILE 33 CO -0.12 -1.45 0.77 -0.89 -1.23 0.00 0.00 174.94 172.02 1stu s THR 34 N 2.99 4.71 -0.34 2.92 2.01 -0.36 -2.48 115.64 125.09 1stu s THR 34 Ca 0.28 0.69 -0.29 0.00 0.31 0.00 0.00 61.69 62.67 1stu s THR 34 Cb -0.10 -4.24 0.02 0.00 0.01 0.00 0.00 72.50 68.19 1stu s THR 34 CO -0.03 -0.54 1.11 0.00 -0.69 0.00 0.00 174.62 174.47 1stu s ALA 35 N 3.15 3.44 -0.27 7.40 0.00 -0.10 0.17 121.76 135.54 1stu s ALA 35 Ca 0.30 -0.09 -0.03 0.00 0.00 0.00 0.00 51.96 52.14 1stu s ALA 35 Cb -0.13 -3.71 0.03 0.00 0.00 0.00 0.00 23.12 19.30 1stu s ALA 35 CO 0.19 -1.62 -0.02 0.00 0.00 0.00 0.00 175.76 174.31 1stu s ILE 37 N 1.35 4.22 0.09 0.00 -1.16 -0.52 -1.00 121.20 124.17 1stu s ILE 37 Ca -0.00 1.71 0.10 0.00 -0.51 0.00 0.00 60.65 61.95 1stu s ILE 37 Cb -0.17 -4.10 -0.03 0.00 0.61 0.00 0.00 42.46 38.77 1stu s ILE 37 CO -0.02 0.20 -0.26 0.54 -2.81 0.00 0.00 174.94 172.59 1stu s VAL 38 N 0.51 2.24 -0.86 4.00 0.11 -0.55 -2.03 120.40 123.83 1stu s VAL 38 Ca 0.53 -1.56 -0.15 0.00 -2.93 0.00 0.00 61.98 57.86 1stu s VAL 38 Cb -0.27 -1.94 -0.24 0.00 -1.53 0.00 0.00 36.38 32.40 1stu s VAL 38 CO 0.31 0.23 2.17 0.61 -3.33 0.00 0.00 175.10 175.08 1stu n GLY 39 N 1.32 -0.34 0.00 6.54 0.00 -1.23 -1.31 105.19 110.18 1stu n GLY 39 Ca -0.17 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 10.81 0.00 -0.66 1.61 7.64 -1.26 -4.82 113.62 126.93 1stu n SER 40 Ca 0.55 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.43 1stu n SER 40 Cb 0.28 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 1stu n SER 40 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1stu n ILE 41 N 0.00 0.00 -3.60 0.44 -6.64 -0.42 -5.14 119.36 103.99 1stu n ILE 41 Ca 0.00 0.00 -0.37 0.00 -1.77 0.00 0.00 62.75 60.61 1stu n ILE 41 Cb 0.00 0.00 -0.07 0.00 -1.44 0.00 0.00 39.64 38.13 1stu n ILE 41 CO 0.00 0.00 0.00 -0.69 -1.77 0.00 0.00 176.55 174.09 1stu s VAL 42 N -2.47 5.30 -0.41 7.28 1.01 -1.26 -1.48 120.40 128.37 1stu s VAL 42 Ca 0.00 0.52 0.02 0.00 0.00 0.00 0.00 61.98 62.52 1stu s VAL 42 Cb 0.00 -3.60 0.12 0.00 0.00 0.00 0.00 36.38 32.91 1stu s VAL 42 CO 0.00 0.47 0.18 -0.89 0.00 0.00 0.00 175.10 174.86 1stu s THR 43 N -0.11 1.63 0.35 3.92 2.01 -0.17 -4.92 115.64 118.34 1stu s THR 43 Ca 0.17 -2.40 -0.06 0.00 0.31 0.00 0.00 61.69 59.71 1stu s THR 43 Cb -0.13 -2.16 0.08 0.00 0.01 0.00 0.00 72.50 70.29 1stu s THR 43 CO 0.05 -0.79 0.47 -1.84 -0.69 0.00 0.00 174.62 171.83 1stu n GLU 44 N 3.86 -0.44 -3.30 4.92 0.00 -1.26 -1.54 120.64 122.89 1stu n GLU 44 Ca 0.05 -0.75 0.03 0.00 0.00 0.00 0.00 57.16 56.49 1stu n GLU 44 Cb 0.37 -0.48 -0.02 0.00 0.00 0.00 0.00 31.44 31.30 1stu n GLU 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1stu s GLY 45 N -4.02 -0.76 -1.23 -1.84 0.00 0.13 -4.74 107.32 94.86 1stu s GLY 45 Ca 0.27 2.22 -0.20 0.00 0.00 0.00 0.00 44.72 47.01 1stu s GLY 45 CO 0.19 3.35 1.73 -1.83 0.00 0.00 0.00 173.10 176.54 1stu s GLU 46 N 2.84 3.66 1.20 2.90 1.03 -1.25 -1.23 118.70 127.86 1stu s GLU 46 Ca 0.09 -1.69 -0.20 0.00 0.03 0.00 0.00 54.97 53.20 1stu s GLU 46 Cb -0.13 -5.45 0.30 0.00 -0.80 0.00 0.00 34.13 28.05 1stu s GLU 46 CO -0.19 -2.54 0.92 0.41 -1.33 0.00 0.00 175.26 172.54 1stu n GLY 47 N 5.74 -3.17 2.84 -3.83 0.00 0.86 -4.62 105.19 103.00 1stu n GLY 47 Ca 0.46 -1.42 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 1stu n GLY 47 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1stu s ASN 48 N -3.77 3.77 0.00 1.61 2.47 -1.26 -1.40 114.94 116.36 1stu s ASN 48 Ca 0.63 -1.32 0.00 0.00 0.42 0.00 0.00 52.86 52.59 1stu s ASN 48 Cb -0.08 -0.99 0.00 0.00 -1.45 0.00 0.00 41.25 38.73 1stu s ASN 48 CO 0.50 -0.32 0.00 0.61 -3.72 0.00 0.00 177.10 174.17 1stu n GLY 49 N 4.78 3.95 0.19 1.21 0.00 0.14 -4.88 105.19 110.57 1stu n GLY 49 Ca -0.07 -1.62 -0.07 0.00 0.00 0.00 0.00 46.02 44.27 1stu n GLY 49 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1stu h LYS 50 N 0.00 -0.44 -4.81 1.61 1.63 -1.92 -3.32 116.57 109.31 1stu h LYS 50 Ca 0.00 0.03 -0.70 0.00 -0.85 0.00 0.00 60.65 59.13 1stu h LYS 50 Cb 0.00 0.10 -0.07 0.00 -0.60 0.00 0.00 32.23 31.66 1stu h LYS 50 CO 0.00 -0.30 2.62 0.36 -3.45 0.00 0.00 179.45 178.68 1stu n LYS 51 N -3.64 3.06 0.00 1.90 2.85 -1.26 -3.73 118.16 117.34 1stu n LYS 51 Ca -0.06 -2.98 0.00 0.00 -1.05 0.00 0.00 58.31 54.22 1stu n LYS 51 Cb 0.18 -3.36 0.00 0.00 -0.65 0.00 0.00 35.03 31.21 1stu n LYS 51 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 1stu n VAL 52 N 5.57 0.00 -0.04 0.58 3.14 -1.25 -4.96 118.33 121.37 1stu n VAL 52 Ca 0.50 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.87 1stu n VAL 52 Cb 0.42 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.19 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 -1.47 -0.10 -0.24 6.55 7.64 -1.24 0.17 113.62 124.92 1stu n SER 53 Ca 0.00 0.57 -0.00 0.00 1.01 0.00 0.00 58.87 60.45 1stu n SER 53 Cb 0.00 -0.22 0.07 0.00 -1.01 0.00 0.00 64.21 63.05 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 -0.02 0.00 1.43 1.79 -1.94 -0.18 116.57 117.65 1stu h LYS 54 Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1stu h LYS 54 Cb 0.04 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1stu h LYS 54 CO -0.09 -0.02 0.00 1.17 -1.08 0.00 0.00 179.45 179.43 1stu n LYS 55 N -5.47 0.00 -0.10 3.15 4.81 0.44 -1.54 118.16 119.45 1stu n LYS 55 Ca 0.09 0.38 -0.03 0.00 -0.87 0.00 0.00 58.31 57.87 1stu n LYS 55 Cb 0.36 -1.34 -0.02 0.00 0.02 0.00 0.00 35.03 34.04 1stu n LYS 55 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1stu n ARG 56 N -1.59 -0.11 -0.37 1.64 5.12 0.25 -0.30 116.66 121.31 1stu n ARG 56 Ca 0.00 1.01 -0.03 0.00 -1.93 0.00 0.00 57.85 56.89 1stu n ARG 56 Cb 0.00 -1.50 0.01 0.00 -1.16 0.00 0.00 32.46 29.82 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 -0.52 0.02 0.02 7.54 0.00 -1.09 -0.21 119.26 125.02 1stu h ALA 57 Ca 0.04 0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.22 1stu h ALA 57 Cb 0.10 1.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1stu h ALA 57 CO -0.23 -0.69 -0.42 0.00 0.00 0.00 0.00 179.25 177.91 1stu h ALA 58 N 1.19 -0.69 -0.81 0.00 0.00 0.42 -0.04 119.26 119.32 1stu h ALA 58 Ca 0.30 -0.05 0.19 0.00 0.00 0.00 0.00 54.91 55.36 1stu h ALA 58 Cb 0.56 0.74 -0.12 0.00 0.00 0.00 0.00 17.79 18.98 1stu h ALA 58 CO -0.95 -0.97 0.23 0.93 0.00 0.00 0.00 179.25 178.49 1stu h GLU 59 N -0.59 0.27 -0.72 0.00 5.08 0.08 0.75 114.58 119.45 1stu h GLU 59 Ca 0.04 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.49 1stu h GLU 59 Cb 0.66 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.77 1stu h GLU 59 CO -0.31 0.18 0.35 -0.22 -1.00 0.00 0.00 179.01 178.01 1stu h LYS 60 N 0.28 0.56 0.27 2.33 1.63 0.12 0.52 116.57 122.28 1stu h LYS 60 Ca 0.48 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 60.23 1stu h LYS 60 Cb 0.88 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.38 1stu h LYS 60 CO -0.56 0.37 -0.13 0.52 -3.45 0.00 0.00 179.45 176.21 1stu h MET 61 N 0.58 -0.35 0.09 1.90 2.86 0.18 0.51 114.93 120.71 1stu h MET 61 Ca 0.36 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 58.04 1stu h MET 61 Cb 0.41 0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.10 1stu h MET 61 CO -0.29 -0.23 -0.51 -0.07 1.06 0.00 0.00 176.91 176.87 1stu h LEU 62 N -0.47 -1.56 -2.14 1.22 3.38 -1.06 0.63 115.31 115.31 1stu h LEU 62 Ca -0.04 0.17 0.07 0.00 0.09 0.00 0.00 57.88 58.17 1stu h LEU 62 Cb 0.27 0.58 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1stu h LEU 62 CO 0.06 -0.53 0.24 0.58 0.09 0.00 0.00 178.44 178.88 1stu h VAL 63 N -0.71 0.57 0.49 1.22 2.07 -1.00 0.64 116.25 119.52 1stu h VAL 63 Ca -0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1stu h VAL 63 Cb 0.73 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1stu h VAL 63 CO -0.29 0.00 -0.23 -0.33 0.02 0.00 0.00 177.57 176.73 1stu h GLU 64 N 0.00 -0.63 -0.24 1.57 4.39 0.54 -3.27 114.58 116.94 1stu h GLU 64 Ca 0.12 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.87 1stu h GLU 64 Cb 0.61 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 1stu h GLU 64 CO -0.00 -0.35 0.00 1.47 -1.16 0.00 0.00 179.01 178.96 1stu n LEU 65 N -5.32 3.28 -0.10 1.33 -0.00 -0.56 -4.53 117.00 111.10 1stu n LEU 65 Ca -0.11 -2.63 -0.13 0.00 -0.00 0.00 0.00 56.01 53.14 1stu n LEU 65 Cb 0.30 -0.39 -0.14 0.00 -0.00 0.00 0.00 43.42 43.18 1stu n LEU 65 CO 0.34 0.68 -1.16 0.00 -0.00 0.00 0.00 177.39 177.25 1stu n GLN 66 N -0.28 0.68 0.23 1.47 1.13 0.22 -4.20 117.38 116.63 1stu n GLN 66 Ca 0.16 0.08 0.09 0.00 -1.94 0.00 0.00 57.00 55.39 1stu n GLN 66 Cb 0.67 -1.55 0.57 0.00 0.11 0.00 0.00 30.24 30.04 1stu n GLN 66 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1stu h LYS 67 N 0.00 0.00 0.00 -1.09 1.57 -1.72 -3.49 116.57 111.84 1stu h LYS 67 Ca -0.54 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 1stu h LYS 67 Cb 2.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.42 1stu h LYS 67 CO -0.00 0.21 0.00 1.28 -0.57 0.00 0.00 179.45 180.36