#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 -0.55 4.25 1.08 -1.89 -2.23 117.51 118.17 1stu h ILE 2 Ca 0.00 -0.33 0.16 0.00 -0.39 0.00 0.00 64.86 64.30 1stu h ILE 2 Cb 0.00 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 33.73 1stu h ILE 2 CO 0.00 0.00 0.46 0.77 -0.69 0.00 0.00 178.15 178.69 1stu h SER 3 N -0.59 0.00 0.12 1.72 4.64 -2.02 0.04 113.55 117.47 1stu h SER 3 Ca -0.03 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1stu h SER 3 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1stu h SER 3 CO 0.04 0.00 -0.06 1.56 -0.87 0.00 0.00 176.83 177.51 1stu h GLN 4 N 0.00 -0.16 0.82 4.77 4.20 -1.99 -0.36 115.11 122.40 1stu h GLN 4 Ca 0.26 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.95 1stu h GLN 4 Cb 1.19 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 29.00 1stu h GLN 4 CO -0.00 0.19 -0.48 0.28 -0.67 0.00 0.00 178.83 178.14 1stu h VAL 5 N -0.52 0.00 -1.00 -0.54 2.07 -0.40 -0.99 116.25 114.87 1stu h VAL 5 Ca -0.02 0.00 0.35 0.00 0.82 0.00 0.00 66.70 67.85 1stu h VAL 5 Cb 0.41 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.03 1stu h VAL 5 CO 0.03 0.00 0.56 0.45 0.02 0.00 0.00 177.57 178.63 1stu h HIS 6 N -1.21 0.91 0.58 1.57 3.86 -1.26 0.43 115.15 120.03 1stu h HIS 6 Ca -0.11 0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.11 1stu h HIS 6 Cb 0.96 -0.23 0.01 0.00 1.06 0.00 0.00 27.41 29.20 1stu h HIS 6 CO -0.08 -0.25 -0.28 0.93 0.86 0.00 0.00 177.93 179.11 1stu h GLU 7 N 0.24 -0.76 -0.00 2.45 4.39 0.19 -1.65 114.58 119.45 1stu h GLU 7 Ca 0.76 0.05 -0.00 0.00 0.34 0.00 0.00 59.36 60.52 1stu h GLU 7 Cb 1.82 0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 30.64 1stu h GLU 7 CO -0.65 -0.50 -0.00 -0.84 -1.16 0.00 0.00 179.01 175.86 1stu h ILE 8 N -0.80 1.33 -0.56 3.13 -0.00 -0.19 -1.15 117.51 119.27 1stu h ILE 8 Ca -0.08 -0.96 0.11 0.00 -0.00 0.00 0.00 64.86 63.93 1stu h ILE 8 Cb 0.60 1.97 -0.11 0.00 -0.00 0.00 0.00 36.82 39.29 1stu h ILE 8 CO 0.13 0.25 -0.19 1.23 -0.00 0.00 0.00 178.15 179.57 1stu h GLY 9 N -0.40 0.27 0.72 0.16 0.00 -0.28 0.57 103.07 104.11 1stu h GLY 9 Ca 0.00 0.25 -0.06 0.00 0.00 0.00 0.00 47.33 47.52 1stu h GLY 9 CO 0.00 -0.22 -0.17 -2.22 0.00 0.00 0.00 176.54 173.93 1stu h ILE 10 N -0.06 1.36 0.00 2.60 1.08 -1.30 2.26 117.51 123.46 1stu h ILE 10 Ca 0.26 -1.38 0.00 0.00 -0.39 0.00 0.00 64.86 63.35 1stu h ILE 10 Cb 0.46 1.98 0.00 0.00 -3.07 0.00 0.00 36.82 36.19 1stu h ILE 10 CO -0.60 0.40 0.00 0.29 -0.69 0.00 0.00 178.15 177.55 1stu n LYS 11 N -4.54 0.01 -0.10 2.37 5.02 -0.44 -1.76 118.16 118.72 1stu n LYS 11 Ca -0.07 0.36 0.04 0.00 -2.02 0.00 0.00 58.31 56.63 1stu n LYS 11 Cb 0.38 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.95 1stu n LYS 11 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1stu n ARG 12 N -1.48 1.56 -0.21 1.97 3.00 0.19 -4.96 116.66 116.73 1stu n ARG 12 Ca 0.02 -1.76 0.00 0.00 -0.00 0.00 0.00 57.85 56.11 1stu n ARG 12 Cb 0.08 -1.08 0.00 0.00 0.00 0.00 0.00 32.46 31.46 1stu n ARG 12 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1stu n ASN 13 N -0.76 0.00 -4.56 6.15 5.15 -0.25 -4.91 115.26 116.08 1stu n ASN 13 Ca 0.06 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.64 1stu n ASN 13 Cb 0.50 -0.65 -0.03 0.00 -0.53 0.00 0.00 39.78 39.07 1stu n ASN 13 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1stu s MET 14 N -0.10 3.45 1.02 1.20 -1.94 0.75 -4.10 119.30 119.59 1stu s MET 14 Ca 0.00 -0.86 -0.24 0.00 -1.71 0.00 0.00 55.69 52.88 1stu s MET 14 Cb 0.00 -5.04 -0.13 0.00 2.01 0.00 0.00 34.83 31.66 1stu s MET 14 CO 0.00 -2.23 -1.13 2.41 -0.01 0.00 0.00 175.02 174.06 1stu n THR 15 N 6.79 0.00 -3.47 2.05 -1.04 -1.25 -3.36 114.28 114.00 1stu n THR 15 Ca 0.25 -0.13 -0.28 0.00 -2.04 0.00 0.00 64.05 61.85 1stu n THR 15 Cb 0.50 -0.12 -0.11 0.00 -1.82 0.00 0.00 70.33 68.78 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 -2.05 0.55 -0.67 12.58 1.01 -0.89 -3.34 120.40 127.60 1stu s VAL 16 Ca 0.41 -2.52 -0.09 0.00 0.00 0.00 0.00 61.98 59.78 1stu s VAL 16 Cb 0.02 -1.39 0.17 0.00 0.00 0.00 0.00 36.38 35.18 1stu s VAL 16 CO 0.69 -1.13 0.54 -1.00 0.00 0.00 0.00 175.10 174.20 1stu s HIS 17 N 0.23 3.54 -0.16 5.22 3.76 -0.81 -4.78 115.29 122.29 1stu s HIS 17 Ca 0.27 -2.24 -0.29 0.00 -0.15 0.00 0.00 55.06 52.65 1stu s HIS 17 Cb -0.06 -3.50 -0.01 0.00 1.11 0.00 0.00 32.58 30.12 1stu s HIS 17 CO -0.13 -0.93 1.10 -0.06 -0.85 0.00 0.00 174.74 173.87 1stu s PHE 18 N 0.35 3.26 -0.17 1.40 0.08 -1.26 -1.31 117.98 120.32 1stu s PHE 18 Ca 0.15 1.37 -0.07 0.00 0.12 0.00 0.00 56.93 58.50 1stu s PHE 18 Cb -0.18 -3.32 0.08 0.00 -0.57 0.00 0.00 43.02 39.02 1stu s PHE 18 CO -0.05 -0.80 0.37 0.21 -0.10 0.00 0.00 175.22 174.85 1stu s LYS 19 N 2.84 0.28 0.03 0.44 2.20 0.02 -4.99 119.74 120.56 1stu s LYS 19 Ca 0.49 0.90 -0.30 0.00 -0.36 0.00 0.00 55.97 56.69 1stu s LYS 19 Cb -0.19 0.16 -0.04 0.00 -1.51 0.00 0.00 37.83 36.25 1stu s LYS 19 CO 0.13 -0.24 1.08 0.08 -0.36 0.00 0.00 175.35 176.03 1stu s VAL 20 N 2.31 4.50 -0.20 4.02 1.01 -1.26 -0.85 120.40 129.92 1stu s VAL 20 Ca -0.02 1.79 0.20 0.00 0.00 0.00 0.00 61.98 63.95 1stu s VAL 20 Cb -0.11 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 1stu s VAL 20 CO -0.11 0.14 1.03 -0.07 0.00 0.00 0.00 175.10 176.09 1stu h LEU 21 N 6.80 0.00 0.00 3.92 3.38 -1.78 -3.47 115.31 124.16 1stu h LEU 21 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1stu h LEU 21 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1stu h LEU 21 CO 0.78 0.25 0.00 0.54 0.09 0.00 0.00 178.44 180.09 1stu n ARG 22 N -2.82 -1.07 -2.10 1.13 1.74 -1.25 -5.04 116.66 107.25 1stu n ARG 22 Ca -0.03 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.99 1stu n ARG 22 Cb 0.67 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 32.10 1stu n ARG 22 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1stu n GLU 23 N 0.00 1.42 -3.79 5.56 4.71 -1.26 -1.94 120.64 125.34 1stu n GLU 23 Ca 0.00 -0.72 -0.13 0.00 -0.01 0.00 0.00 57.16 56.30 1stu n GLU 23 Cb 0.00 0.10 -0.14 0.00 -1.01 0.00 0.00 31.44 30.40 1stu n GLU 23 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1stu s GLU 24 N -2.45 0.09 0.36 3.49 0.41 -0.70 -4.71 118.70 115.20 1stu s GLU 24 Ca 0.05 0.26 0.00 0.00 -0.41 0.00 0.00 54.97 54.87 1stu s GLU 24 Cb -0.00 -0.09 0.00 0.00 -1.78 0.00 0.00 34.13 32.26 1stu s GLU 24 CO 0.03 -0.10 0.00 0.41 -0.49 0.00 0.00 175.26 175.11 1stu n GLY 25 N 3.71 -3.60 0.41 -1.39 0.00 -1.26 -4.50 105.19 98.56 1stu n GLY 25 Ca -0.21 -1.02 -0.16 0.00 0.00 0.00 0.00 46.02 44.63 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 0.13 -1.01 0.00 1.61 0.11 -1.98 -3.48 132.00 127.38 1stu h PRO 26 Ca 0.00 0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1stu h PRO 26 Cb 0.58 0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1stu h PRO 26 CO 0.00 -0.67 0.00 0.00 -0.21 0.00 0.00 178.00 177.12 1stu n ALA 27 N -2.53 0.00 -1.11 -0.75 0.00 -1.26 -4.94 120.51 109.93 1stu n ALA 27 Ca -0.13 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.27 1stu n ALA 27 Cb 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.85 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 0.00 0.00 0.00 8.25 -1.26 -4.63 115.22 117.58 1stu n HIS 28 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1stu n HIS 28 Cb 0.00 -1.88 0.00 0.00 1.12 0.00 0.00 29.99 29.23 1stu n HIS 28 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1stu n MET 29 N -0.41 0.00 -1.55 -0.41 2.00 -1.26 -5.10 117.12 110.40 1stu n MET 29 Ca -0.04 0.00 -0.45 0.00 0.00 0.00 0.00 57.70 57.22 1stu n MET 29 Cb 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.61 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 0.00 1.65 -3.77 0.03 5.02 -1.26 -4.89 118.16 114.93 1stu n LYS 30 Ca 0.00 0.43 -0.13 0.00 -2.02 0.00 0.00 58.31 56.59 1stu n LYS 30 Cb 0.00 -3.02 -0.14 0.00 -0.02 0.00 0.00 35.03 31.85 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 8.29 -0.11 0.01 4.39 -0.87 -1.26 0.14 114.94 125.53 1stu s ASN 31 Ca 1.04 0.27 0.06 0.00 -1.57 0.00 0.00 52.86 52.66 1stu s ASN 31 Cb -0.48 0.20 -0.03 0.00 -0.02 0.00 0.00 41.25 40.92 1stu s ASN 31 CO 0.39 -0.11 -0.19 -0.36 -2.57 0.00 0.00 177.10 174.25 1stu s PHE 32 N 0.82 2.54 -0.41 2.20 0.40 0.90 -1.71 117.98 122.72 1stu s PHE 32 Ca -0.06 -0.27 -0.21 0.00 -0.60 0.00 0.00 56.93 55.79 1stu s PHE 32 Cb -0.08 -1.51 0.02 0.00 0.51 0.00 0.00 43.02 41.96 1stu s PHE 32 CO -0.04 0.18 0.67 0.42 0.70 0.00 0.00 175.22 177.16 1stu s ILE 33 N -0.82 4.81 -0.28 0.64 -1.09 -0.82 -0.75 121.20 122.89 1stu s ILE 33 Ca 0.13 0.37 -0.09 0.00 -2.23 0.00 0.00 60.65 58.83 1stu s ILE 33 Cb -0.10 -4.19 -0.03 0.00 -1.58 0.00 0.00 42.46 36.56 1stu s ILE 33 CO 0.03 -0.52 0.13 -0.89 -1.23 0.00 0.00 174.94 172.46 1stu s THR 34 N 2.89 4.68 -0.18 2.92 2.01 0.59 -2.02 115.64 126.52 1stu s THR 34 Ca 0.25 -0.15 -0.25 0.00 0.31 0.00 0.00 61.69 61.85 1stu s THR 34 Cb -0.14 -3.26 -0.01 0.00 0.01 0.00 0.00 72.50 69.10 1stu s THR 34 CO 0.18 0.23 0.82 0.00 -0.69 0.00 0.00 174.62 175.16 1stu s ALA 35 N 1.66 3.54 -0.20 7.40 0.00 -0.03 -0.35 121.76 133.77 1stu s ALA 35 Ca 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.99 1stu s ALA 35 Cb -0.16 -3.23 -0.00 0.00 0.00 0.00 0.00 23.12 19.73 1stu s ALA 35 CO 0.06 -0.70 -0.10 0.00 0.00 0.00 0.00 175.76 175.03 1stu s ILE 37 N 1.30 4.38 -0.08 0.00 -1.16 -0.43 -1.20 121.20 124.01 1stu s ILE 37 Ca 0.04 1.74 -0.01 0.00 -0.51 0.00 0.00 60.65 61.90 1stu s ILE 37 Cb -0.14 -4.11 0.03 0.00 0.61 0.00 0.00 42.46 38.85 1stu s ILE 37 CO -0.05 0.15 0.00 -0.69 -2.81 0.00 0.00 174.94 171.54 1stu s VAL 38 N 0.91 0.38 0.00 4.00 1.01 -0.35 -1.93 120.40 124.42 1stu s VAL 38 Ca 0.55 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.61 1stu s VAL 38 Cb -0.26 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.56 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 5.14 0.00 0.15 4.51 0.00 -1.25 -0.40 105.19 113.34 1stu n GLY 39 Ca -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 -0.37 -0.74 1.61 7.64 -1.26 -4.77 113.62 115.72 1stu n SER 40 Ca 0.00 0.65 0.00 0.00 1.01 0.00 0.00 58.87 60.53 1stu n SER 40 Cb 0.00 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 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 -4.31 0.00 -3.25 0.44 -6.64 0.47 -5.13 119.36 100.94 1stu n ILE 41 Ca 0.01 0.00 -0.39 0.00 -1.77 0.00 0.00 62.75 60.60 1stu n ILE 41 Cb 0.09 0.00 -0.06 0.00 -1.44 0.00 0.00 39.64 38.23 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 -2.76 4.97 -0.26 7.28 1.01 -1.26 -1.21 120.40 128.16 1stu s VAL 42 Ca 0.00 1.17 0.02 0.00 0.00 0.00 0.00 61.98 63.17 1stu s VAL 42 Cb 0.00 -3.90 0.07 0.00 0.00 0.00 0.00 36.38 32.55 1stu s VAL 42 CO 0.00 0.41 -0.05 -0.89 0.00 0.00 0.00 175.10 174.57 1stu s THR 43 N -0.12 1.82 0.29 3.92 2.01 -0.34 -4.90 115.64 118.32 1stu s THR 43 Ca 0.30 -1.54 -0.01 0.00 0.31 0.00 0.00 61.69 60.74 1stu s THR 43 Cb -0.18 -2.09 0.06 0.00 0.01 0.00 0.00 72.50 70.31 1stu s THR 43 CO 0.16 -0.18 0.40 -1.84 -0.69 0.00 0.00 174.62 172.46 1stu n GLU 44 N 4.54 0.19 -3.93 4.92 0.28 -1.26 -1.75 120.64 123.61 1stu n GLU 44 Ca -0.10 -0.97 -0.10 0.00 -0.16 0.00 0.00 57.16 55.83 1stu n GLU 44 Cb 0.43 -0.30 -0.02 0.00 1.43 0.00 0.00 31.44 32.98 1stu n GLU 44 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1stu s GLY 45 N -3.54 0.68 -0.40 -1.84 0.00 0.52 -4.71 107.32 98.04 1stu s GLY 45 Ca 0.26 -0.95 0.02 0.00 0.00 0.00 0.00 44.72 44.04 1stu s GLY 45 CO 0.17 -0.55 0.18 -1.83 0.00 0.00 0.00 173.10 171.08 1stu s GLU 46 N -3.05 1.18 0.07 2.90 -1.05 -1.26 -0.30 118.70 117.19 1stu s GLU 46 Ca 0.21 -1.77 -0.00 0.00 -0.15 0.00 0.00 54.97 53.26 1stu s GLU 46 Cb -0.03 -2.37 0.01 0.00 -0.44 0.00 0.00 34.13 31.30 1stu s GLU 46 CO 0.13 -1.09 0.09 0.41 0.95 0.00 0.00 175.26 175.75 1stu n GLY 47 N 3.95 0.73 0.00 -3.83 0.00 0.07 -4.80 105.19 101.31 1stu n GLY 47 Ca 0.05 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1stu n GLY 47 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1stu n ASN 48 N -2.99 0.00 -3.87 1.61 4.13 -1.26 -0.07 115.26 112.81 1stu n ASN 48 Ca 0.02 0.00 -0.28 0.00 1.68 0.00 0.00 54.58 55.99 1stu n ASN 48 Cb 0.05 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.17 1stu n ASN 48 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1stu s GLY 49 N -1.00 2.82 0.00 7.41 0.00 0.37 -1.51 107.32 115.41 1stu s GLY 49 Ca 0.00 -3.74 0.00 0.00 0.00 0.00 0.00 44.72 40.98 1stu s GLY 49 CO 0.00 1.14 0.00 1.17 0.00 0.00 0.00 173.10 175.41 1stu n LYS 50 N 2.07 0.00 -4.15 2.90 4.81 -1.26 -4.91 118.16 117.62 1stu n LYS 50 Ca 0.20 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.33 1stu n LYS 50 Cb 0.36 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.36 1stu n LYS 50 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1stu n LYS 51 N 0.00 -2.53 0.00 1.64 4.81 -1.26 -4.74 118.16 116.08 1stu n LYS 51 Ca 0.00 0.30 0.00 0.00 -0.87 0.00 0.00 58.31 57.74 1stu n LYS 51 Cb 0.00 -4.47 0.00 0.00 0.02 0.00 0.00 35.03 30.58 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 -4.42 0.00 -0.34 3.15 3.14 -1.26 -4.81 118.33 113.79 1stu n VAL 52 Ca -0.18 0.00 0.16 0.00 -2.96 0.00 0.00 64.34 61.36 1stu n VAL 52 Cb 0.62 -0.13 0.32 0.00 -1.06 0.00 0.00 33.84 33.59 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 -1.74 -0.07 0.33 6.55 7.64 -1.25 -0.63 113.62 124.45 1stu n SER 53 Ca 0.00 1.66 -0.17 0.00 1.01 0.00 0.00 58.87 61.38 1stu n SER 53 Cb 0.06 -0.63 -0.08 0.00 -1.01 0.00 0.00 64.21 62.55 1stu n SER 53 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1stu h LYS 54 N 0.00 -0.79 0.25 1.43 3.64 -1.92 -0.78 116.57 118.40 1stu h LYS 54 Ca 0.62 0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 60.04 1stu h LYS 54 Cb 1.32 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 33.31 1stu h LYS 54 CO -0.90 -0.49 -0.22 -0.22 -2.27 0.00 0.00 179.45 175.35 1stu h LYS 55 N -0.93 -0.45 -0.96 1.90 3.11 -1.19 -1.11 116.57 116.95 1stu h LYS 55 Ca -0.08 0.03 0.30 0.00 -2.81 0.00 0.00 60.65 58.09 1stu h LYS 55 Cb 0.66 0.10 -0.15 0.00 -1.00 0.00 0.00 32.23 31.84 1stu h LYS 55 CO 0.14 -0.30 0.40 0.00 -2.81 0.00 0.00 179.45 176.88 1stu h ARG 56 N -0.47 0.20 -0.43 1.90 2.47 -1.13 0.75 114.38 117.68 1stu h ARG 56 Ca -0.03 -0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.69 1stu h ARG 56 Cb 0.40 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.64 1stu h ARG 56 CO -0.01 0.13 0.25 0.00 0.56 0.00 0.00 179.97 180.90 1stu h ALA 57 N 1.87 0.54 0.77 0.04 0.00 -0.52 -1.07 119.26 120.89 1stu h ALA 57 Ca 0.68 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.54 1stu h ALA 57 Cb 1.53 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 19.21 1stu h ALA 57 CO -0.68 -0.07 -0.37 0.00 0.00 0.00 0.00 179.25 178.13 1stu h ALA 58 N 1.19 -1.04 -0.98 0.00 0.00 0.17 -0.41 119.26 118.20 1stu h ALA 58 Ca 0.17 -0.23 0.23 0.00 0.00 0.00 0.00 54.91 55.08 1stu h ALA 58 Cb 0.00 0.40 -0.12 0.00 0.00 0.00 0.00 17.79 18.07 1stu h ALA 58 CO -0.07 -1.05 0.55 0.93 0.00 0.00 0.00 179.25 179.60 1stu h GLU 59 N -1.10 0.54 -0.66 0.00 4.39 -1.13 0.82 114.58 117.43 1stu h GLU 59 Ca -0.11 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.57 1stu h GLU 59 Cb 0.81 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.30 1stu h GLU 59 CO 0.17 0.36 0.43 -0.22 -1.16 0.00 0.00 179.01 178.60 1stu h LYS 60 N 0.56 0.85 0.00 2.33 3.11 -0.66 0.68 116.57 123.44 1stu h LYS 60 Ca 0.62 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 58.41 1stu h LYS 60 Cb 1.16 -0.19 0.00 0.00 -1.00 0.00 0.00 32.23 32.20 1stu h LYS 60 CO -0.48 0.56 0.00 -0.12 -2.81 0.00 0.00 179.45 176.60 1stu n MET 61 N -4.64 0.00 -0.13 1.90 1.56 0.26 -0.46 117.12 115.61 1stu n MET 61 Ca 0.06 0.46 -0.14 0.00 -0.27 0.00 0.00 57.70 57.81 1stu n MET 61 Cb 0.04 -1.27 -0.10 0.00 2.15 0.00 0.00 33.22 34.04 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 -1.84 -1.07 -0.89 3.38 -1.03 0.90 115.31 114.76 1stu h LEU 62 Ca 0.00 0.24 0.25 0.00 0.09 0.00 0.00 57.88 58.46 1stu h LEU 62 Cb 0.00 0.75 -0.12 0.00 0.09 0.00 0.00 40.66 41.38 1stu h LEU 62 CO 0.00 -0.40 0.61 0.58 0.09 0.00 0.00 178.44 179.32 1stu h VAL 63 N -0.40 0.54 0.06 1.22 2.07 -0.97 -1.53 116.25 117.24 1stu h VAL 63 Ca 0.07 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1stu h VAL 63 Cb 0.59 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1stu h VAL 63 CO -0.58 0.10 -0.03 -0.33 0.02 0.00 0.00 177.57 176.74 1stu h GLU 64 N 0.56 -0.08 -1.24 1.57 4.39 0.35 -1.34 114.58 118.79 1stu h GLU 64 Ca 0.63 0.01 0.37 0.00 0.34 0.00 0.00 59.36 60.70 1stu h GLU 64 Cb 1.26 0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 29.83 1stu h GLU 64 CO -0.44 -0.05 0.83 1.37 -1.16 0.00 0.00 179.01 179.56 1stu h LEU 65 N -0.08 0.25 -0.38 1.33 -0.00 -0.56 0.47 115.31 116.34 1stu h LEU 65 Ca -0.01 0.08 -0.03 0.00 -0.00 0.00 0.00 57.88 57.92 1stu h LEU 65 Cb 0.07 0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 40.76 1stu h LEU 65 CO 0.01 -0.03 0.13 1.56 -0.00 0.00 0.00 178.44 180.10 1stu h GLN 66 N 0.17 0.58 -0.18 0.17 1.08 -0.79 -2.98 115.11 113.16 1stu h GLN 66 Ca 0.69 -0.12 -0.00 0.00 -1.45 0.00 0.00 58.65 57.77 1stu h GLN 66 Cb 2.22 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 29.55 1stu h GLN 66 CO -0.26 0.58 0.10 0.87 -0.95 0.00 0.00 178.83 179.18 1stu h LYS 67 N 0.46 0.24 0.00 1.46 1.57 0.11 -3.51 116.57 116.89 1stu h LYS 67 Ca 0.12 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1stu h LYS 67 Cb 0.24 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1stu h LYS 67 CO -0.01 0.21 0.00 1.28 -0.57 0.00 0.00 179.45 180.37