#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 -0.40 4.25 1.08 -1.93 -2.11 117.51 118.40 1stu h ILE 2 Ca 0.00 -0.31 0.12 0.00 -0.39 0.00 0.00 64.86 64.28 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 0.35 0.77 -0.69 0.00 0.00 178.15 178.58 1stu h SER 3 N -1.19 0.00 0.57 1.72 4.64 -2.02 -0.98 113.55 116.28 1stu h SER 3 Ca -0.09 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.20 1stu h SER 3 Cb 0.68 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.78 1stu h SER 3 CO 0.15 0.00 -0.27 1.56 -0.87 0.00 0.00 176.83 177.39 1stu h GLN 4 N 0.00 -0.74 0.22 4.77 4.20 -1.94 0.06 115.11 121.69 1stu h GLN 4 Ca 0.19 0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.95 1stu h GLN 4 Cb 0.89 0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.81 1stu h GLN 4 CO -0.00 -0.43 -0.33 0.28 -0.67 0.00 0.00 178.83 177.68 1stu h VAL 5 N -1.01 0.00 -1.09 -0.54 2.07 -0.57 0.77 116.25 115.89 1stu h VAL 5 Ca -0.08 0.00 0.43 0.00 0.82 0.00 0.00 66.70 67.87 1stu h VAL 5 Cb 0.65 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.25 1stu h VAL 5 CO 0.13 0.00 0.62 1.41 0.02 0.00 0.00 177.57 179.75 1stu n HIS 6 N -4.33 1.05 0.39 1.57 8.25 -0.49 0.20 115.22 121.87 1stu n HIS 6 Ca -0.07 1.06 -0.15 0.00 -0.26 0.00 0.00 57.72 58.30 1stu n HIS 6 Cb 0.28 -1.47 -0.07 0.00 1.12 0.00 0.00 29.99 29.85 1stu n HIS 6 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1stu h GLU 7 N 0.00 -0.96 0.06 -0.41 5.08 0.12 -1.70 114.58 116.77 1stu h GLU 7 Ca 0.85 0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 59.28 1stu h GLU 7 Cb 2.38 0.22 0.00 0.00 0.50 0.00 0.00 28.75 31.85 1stu h GLU 7 CO -0.69 -0.64 -0.03 -0.84 -1.00 0.00 0.00 179.01 175.81 1stu h ILE 8 N -1.06 1.23 -0.68 3.13 -0.00 -0.01 -1.44 117.51 118.67 1stu h ILE 8 Ca -0.10 -1.09 0.14 0.00 -0.00 0.00 0.00 64.86 63.81 1stu h ILE 8 Cb 0.76 1.93 -0.13 0.00 -0.00 0.00 0.00 36.82 39.38 1stu h ILE 8 CO 0.17 0.27 -0.11 1.23 -0.00 0.00 0.00 178.15 179.70 1stu h GLY 9 N -0.59 0.58 0.71 0.16 0.00 -0.35 0.49 103.07 104.07 1stu h GLY 9 Ca -0.01 0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.44 1stu h GLY 9 CO 0.01 -0.26 -0.19 -2.22 0.00 0.00 0.00 176.54 173.89 1stu h ILE 10 N 0.03 1.37 0.00 2.60 1.08 -1.33 2.37 117.51 123.64 1stu h ILE 10 Ca 0.34 -1.43 0.00 0.00 -0.39 0.00 0.00 64.86 63.38 1stu h ILE 10 Cb 0.54 2.02 0.00 0.00 -3.07 0.00 0.00 36.82 36.32 1stu h ILE 10 CO -0.67 0.41 0.00 0.29 -0.69 0.00 0.00 178.15 177.50 1stu n LYS 11 N -4.53 0.01 0.00 2.37 4.76 -0.47 -1.69 118.16 118.61 1stu n LYS 11 Ca -0.07 0.39 0.00 0.00 -2.87 0.00 0.00 58.31 55.76 1stu n LYS 11 Cb 0.40 -1.51 0.00 0.00 -1.84 0.00 0.00 35.03 32.08 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 -1.52 2.02 -0.19 1.97 5.12 0.16 -4.96 116.66 119.26 1stu n ARG 12 Ca 0.02 -1.21 0.00 0.00 -1.93 0.00 0.00 57.85 54.73 1stu n ARG 12 Cb 0.08 -0.93 0.00 0.00 -1.16 0.00 0.00 32.46 30.45 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 -0.36 0.00 -4.56 0.55 2.85 0.21 -4.93 115.26 109.02 1stu n ASN 13 Ca 0.00 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.07 1stu n ASN 13 Cb 0.24 -0.14 -0.03 0.00 1.24 0.00 0.00 39.78 41.09 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 3.53 1.00 1.20 -1.94 0.78 -4.05 119.30 119.80 1stu s MET 14 Ca 0.00 -1.22 -0.22 0.00 -1.71 0.00 0.00 55.69 52.55 1stu s MET 14 Cb 0.00 -5.36 -0.17 0.00 2.01 0.00 0.00 34.83 31.31 1stu s MET 14 CO 0.00 -2.39 -1.11 2.41 -0.01 0.00 0.00 175.02 173.92 1stu n THR 15 N 6.92 0.00 -3.43 2.05 -1.04 -1.25 -3.63 114.28 113.90 1stu n THR 15 Ca 0.37 -0.28 -0.27 0.00 -2.04 0.00 0.00 64.05 61.84 1stu n THR 15 Cb 0.49 -0.01 -0.10 0.00 -1.82 0.00 0.00 70.33 68.89 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 -2.96 -0.79 -3.34 12.58 0.31 -0.78 -3.41 118.33 119.93 1stu n VAL 16 Ca -0.02 -3.67 -0.46 0.00 -0.01 0.00 0.00 64.34 60.18 1stu n VAL 16 Cb 0.65 -1.75 -0.04 0.00 -0.91 0.00 0.00 33.84 31.79 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 -0.28 3.48 -0.01 3.52 3.76 -0.88 -4.74 115.29 120.14 1stu s HIS 17 Ca 0.32 -1.66 -0.30 0.00 -0.15 0.00 0.00 55.06 53.28 1stu s HIS 17 Cb 0.05 -3.77 -0.04 0.00 1.11 0.00 0.00 32.58 29.92 1stu s HIS 17 CO -0.18 -1.00 1.14 -0.06 -0.85 0.00 0.00 174.74 173.78 1stu s PHE 18 N 0.94 3.39 -0.21 1.40 0.40 -1.26 -1.05 117.98 121.59 1stu s PHE 18 Ca 0.10 1.37 -0.04 0.00 -0.60 0.00 0.00 56.93 57.76 1stu s PHE 18 Cb -0.21 -3.34 0.11 0.00 0.51 0.00 0.00 43.02 40.08 1stu s PHE 18 CO -0.02 -0.96 0.29 0.21 0.70 0.00 0.00 175.22 175.44 1stu s LYS 19 N 1.58 0.26 -0.25 0.44 2.20 0.52 -4.95 119.74 119.53 1stu s LYS 19 Ca 0.55 0.40 -0.29 0.00 -0.36 0.00 0.00 55.97 56.27 1stu s LYS 19 Cb -0.25 -0.79 -0.00 0.00 -1.51 0.00 0.00 37.83 35.28 1stu s LYS 19 CO 0.25 -0.61 1.24 0.08 -0.36 0.00 0.00 175.35 175.95 1stu s VAL 20 N 2.43 4.27 -0.15 4.02 1.01 -1.26 -0.71 120.40 130.01 1stu s VAL 20 Ca 0.09 1.48 0.20 0.00 0.00 0.00 0.00 61.98 63.75 1stu s VAL 20 Cb -0.15 -4.14 -0.14 0.00 0.00 0.00 0.00 36.38 31.94 1stu s VAL 20 CO -0.13 -0.34 0.76 0.18 0.00 0.00 0.00 175.10 175.57 1stu n LEU 21 N 7.10 0.61 -4.03 3.92 4.77 -0.77 -4.94 117.00 123.66 1stu n LEU 21 Ca 0.14 0.25 -0.10 0.00 -0.03 0.00 0.00 56.01 56.27 1stu n LEU 21 Cb 0.46 0.05 -0.11 0.00 -2.33 0.00 0.00 43.42 41.49 1stu n LEU 21 CO 0.59 0.04 -0.38 -0.13 -1.33 0.00 0.00 177.39 176.19 1stu s ARG 22 N -3.15 0.43 -0.34 3.23 0.52 -1.24 -4.96 118.95 113.44 1stu s ARG 22 Ca -0.04 -0.74 0.01 0.00 -0.52 0.00 0.00 55.73 54.44 1stu s ARG 22 Cb 0.10 -0.04 0.14 0.00 0.52 0.00 0.00 34.95 35.67 1stu s ARG 22 CO 0.83 -0.02 0.29 -1.21 0.02 0.00 0.00 175.30 175.21 1stu s GLU 23 N -1.79 0.51 0.48 3.54 8.01 -1.26 -3.16 118.70 125.03 1stu s GLU 23 Ca -0.11 -0.82 0.00 0.00 0.01 0.00 0.00 54.97 54.05 1stu s GLU 23 Cb -0.08 -0.91 0.00 0.00 -4.31 0.00 0.00 34.13 28.83 1stu s GLU 23 CO -0.01 -1.15 0.00 -1.91 0.01 0.00 0.00 175.26 172.19 1stu n GLU 24 N 4.49 -4.38 0.00 1.61 0.00 -0.72 -4.95 120.64 116.69 1stu n GLU 24 Ca 0.07 3.25 0.00 0.00 0.00 0.00 0.00 57.16 60.48 1stu n GLU 24 Cb 0.43 -3.65 0.00 0.00 0.00 0.00 0.00 31.44 28.22 1stu n GLU 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1stu n GLY 25 N -0.71 -0.39 0.00 8.31 0.00 -0.51 -4.92 105.19 106.97 1stu n GLY 25 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1stu n GLY 25 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1stu n PRO 26 N 0.00 0.00 0.00 1.61 -0.02 -1.26 -4.61 135.00 130.72 1stu n PRO 26 Ca 0.00 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1stu n PRO 26 Cb 0.00 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 1stu n PRO 26 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1stu n ALA 27 N -0.99 1.31 -3.37 3.55 0.00 -1.26 -5.09 120.51 114.67 1stu n ALA 27 Ca 0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 53.44 52.78 1stu n ALA 27 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1stu n ALA 27 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1stu n HIS 28 N -0.16 -0.36 -3.26 0.00 -0.00 -1.26 -4.99 115.22 105.19 1stu n HIS 28 Ca 0.00 -0.83 -0.23 0.00 -0.00 0.00 0.00 57.72 56.66 1stu n HIS 28 Cb 0.35 0.11 0.02 0.00 -0.00 0.00 0.00 29.99 30.47 1stu n HIS 28 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 1stu n MET 29 N -0.19 -2.00 -1.04 -1.40 0.00 -1.26 -2.26 117.12 108.97 1stu n MET 29 Ca 0.02 1.62 -0.15 0.00 0.00 0.00 0.00 57.70 59.19 1stu n MET 29 Cb 0.18 -3.71 -0.08 0.00 0.00 0.00 0.00 33.22 29.61 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 -0.63 1.91 -3.33 2.12 5.02 -1.26 -1.42 118.16 120.57 1stu n LYS 30 Ca -0.03 -1.29 -0.35 0.00 -2.02 0.00 0.00 58.31 54.62 1stu n LYS 30 Cb 0.59 -1.81 -0.06 0.00 -0.02 0.00 0.00 35.03 33.73 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 1.28 6.84 -0.18 4.39 0.01 -1.26 0.13 114.94 126.15 1stu s ASN 31 Ca 0.48 1.11 0.01 0.00 -0.71 0.00 0.00 52.86 53.74 1stu s ASN 31 Cb 0.27 -2.30 0.01 0.00 0.41 0.00 0.00 41.25 39.64 1stu s ASN 31 CO -0.06 0.08 -0.18 -0.36 -1.51 0.00 0.00 177.10 175.07 1stu s PHE 32 N -1.50 2.79 -0.90 2.20 0.40 -0.25 -1.76 117.98 118.96 1stu s PHE 32 Ca 0.39 -1.46 -0.19 0.00 -0.60 0.00 0.00 56.93 55.07 1stu s PHE 32 Cb -0.15 -1.93 0.12 0.00 0.51 0.00 0.00 43.02 41.57 1stu s PHE 32 CO 0.19 -0.72 1.12 0.42 0.70 0.00 0.00 175.22 176.93 1stu s ILE 33 N 1.21 4.66 -0.48 0.64 -1.09 -1.19 -0.46 121.20 124.49 1stu s ILE 33 Ca 0.03 -1.41 -0.23 0.00 -2.23 0.00 0.00 60.65 56.81 1stu s ILE 33 Cb -0.14 -4.78 0.03 0.00 -1.58 0.00 0.00 42.46 36.00 1stu s ILE 33 CO -0.09 -1.51 0.79 -0.89 -1.23 0.00 0.00 174.94 172.00 1stu s THR 34 N 2.92 4.64 -0.33 2.92 2.01 -0.55 -1.84 115.64 125.39 1stu s THR 34 Ca 0.32 0.27 -0.29 0.00 0.31 0.00 0.00 61.69 62.29 1stu s THR 34 Cb -0.06 -4.35 0.02 0.00 0.01 0.00 0.00 72.50 68.11 1stu s THR 34 CO -0.07 -0.80 1.09 0.00 -0.69 0.00 0.00 174.62 174.15 1stu s ALA 35 N 3.31 3.46 -0.23 7.40 0.00 0.11 -0.12 121.76 135.69 1stu s ALA 35 Ca 0.28 -0.09 -0.06 0.00 0.00 0.00 0.00 51.96 52.08 1stu s ALA 35 Cb -0.13 -3.70 -0.02 0.00 0.00 0.00 0.00 23.12 19.27 1stu s ALA 35 CO 0.20 -1.58 0.02 0.00 0.00 0.00 0.00 175.76 174.41 1stu s ILE 37 N 1.42 4.34 -0.35 0.00 -1.16 -0.22 -0.57 121.20 124.67 1stu s ILE 37 Ca 0.05 1.67 0.00 0.00 -0.51 0.00 0.00 60.65 61.87 1stu s ILE 37 Cb -0.15 -4.07 0.09 0.00 0.61 0.00 0.00 42.46 38.94 1stu s ILE 37 CO 0.01 0.10 0.08 0.68 -2.81 0.00 0.00 174.94 173.00 1stu s VAL 38 N 1.33 2.74 0.00 4.00 -7.23 0.14 -1.86 120.40 119.52 1stu s VAL 38 Ca 0.56 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.73 1stu s VAL 38 Cb -0.26 -2.84 0.00 0.00 0.56 0.00 0.00 36.38 33.84 1stu s VAL 38 CO 0.27 -0.48 0.00 0.61 -0.31 0.00 0.00 175.10 175.19 1stu n GLY 39 N 4.46 0.00 0.18 2.32 0.00 -1.24 0.46 105.19 111.37 1stu n GLY 39 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 1stu n GLY 39 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1stu h SER 40 N 0.00 -0.87 0.00 1.61 0.02 -1.95 -3.47 113.55 108.89 1stu h SER 40 Ca 0.00 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1stu h SER 40 Cb 0.00 0.38 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1stu h SER 40 CO 0.00 -0.12 0.00 -0.38 -1.14 0.00 0.00 176.83 175.19 1stu n ILE 41 N -3.91 0.00 -4.26 3.27 -0.00 0.17 -5.17 119.36 109.47 1stu n ILE 41 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 62.75 62.52 1stu n ILE 41 Cb 0.12 0.00 -0.07 0.00 -0.00 0.00 0.00 39.64 39.69 1stu n ILE 41 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 1stu s VAL 42 N 1.38 3.20 -0.36 1.39 1.01 -1.26 -0.68 120.40 125.07 1stu s VAL 42 Ca 0.00 -1.89 0.04 0.00 0.00 0.00 0.00 61.98 60.13 1stu s VAL 42 Cb 0.00 -2.85 0.16 0.00 0.00 0.00 0.00 36.38 33.69 1stu s VAL 42 CO 0.00 -0.31 0.42 -0.89 0.00 0.00 0.00 175.10 174.32 1stu s THR 43 N -2.38 -0.47 0.57 3.92 2.01 0.27 -4.76 115.64 114.79 1stu s THR 43 Ca 0.33 -0.73 -0.06 0.00 0.31 0.00 0.00 61.69 61.54 1stu s THR 43 Cb -0.04 -0.62 0.12 0.00 0.01 0.00 0.00 72.50 71.97 1stu s THR 43 CO 0.20 -0.45 0.78 -1.84 -0.69 0.00 0.00 174.62 172.62 1stu n GLU 44 N 4.45 -0.37 -3.27 4.92 0.28 -1.26 -1.48 120.64 123.91 1stu n GLU 44 Ca 0.09 -1.59 -0.04 0.00 -0.16 0.00 0.00 57.16 55.46 1stu n GLU 44 Cb 0.48 -0.68 -0.05 0.00 1.43 0.00 0.00 31.44 32.62 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 -4.57 -0.67 -1.28 -1.84 0.00 0.83 -4.69 107.32 95.10 1stu s GLY 45 Ca 0.47 1.23 -0.19 0.00 0.00 0.00 0.00 44.72 46.24 1stu s GLY 45 CO 0.32 2.99 1.74 -1.83 0.00 0.00 0.00 173.10 176.32 1stu s GLU 46 N 2.67 3.86 1.08 2.90 1.03 -1.23 -1.48 118.70 127.54 1stu s GLU 46 Ca 0.16 -1.90 -0.12 0.00 0.03 0.00 0.00 54.97 53.13 1stu s GLU 46 Cb -0.15 -5.51 0.24 0.00 -0.80 0.00 0.00 34.13 27.91 1stu s GLU 46 CO -0.19 -2.39 1.06 0.20 -1.33 0.00 0.00 175.26 172.61 1stu s GLY 47 N 4.43 1.56 -0.99 -3.83 0.00 0.39 -4.59 107.32 104.29 1stu s GLY 47 Ca 0.55 -0.17 -0.04 0.00 0.00 0.00 0.00 44.72 45.06 1stu s GLY 47 CO 0.08 0.49 1.07 -2.01 0.00 0.00 0.00 173.10 172.73 1stu n ASN 48 N -4.59 5.17 0.00 1.64 4.05 -1.26 -1.10 115.26 119.17 1stu n ASN 48 Ca 0.04 -3.21 0.00 0.00 0.45 0.00 0.00 54.58 51.87 1stu n ASN 48 Cb 0.55 -1.18 0.00 0.00 1.23 0.00 0.00 39.78 40.38 1stu n ASN 48 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1stu n GLY 49 N 2.02 0.35 2.53 8.20 0.00 0.35 -4.86 105.19 113.79 1stu n GLY 49 Ca 0.24 -0.63 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 1stu n GLY 49 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1stu n LYS 50 N 0.00 -4.19 -3.79 1.61 4.81 -1.26 -3.50 118.16 111.84 1stu n LYS 50 Ca 0.00 0.52 -0.32 0.00 -0.87 0.00 0.00 58.31 57.64 1stu n LYS 50 Cb 0.00 -4.57 0.02 0.00 0.02 0.00 0.00 35.03 30.50 1stu n LYS 50 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1stu n LYS 51 N -2.97 -1.01 0.00 1.64 4.01 -1.26 -4.87 118.16 113.70 1stu n LYS 51 Ca -0.15 0.52 0.00 0.00 -0.51 0.00 0.00 58.31 58.17 1stu n LYS 51 Cb 0.60 -3.18 0.00 0.00 -0.51 0.00 0.00 35.03 31.94 1stu n LYS 51 CO 0.00 0.00 0.00 1.55 -1.11 0.00 0.00 177.40 177.84 1stu n VAL 52 N -3.76 0.00 0.00 -0.18 3.14 -1.23 -4.82 118.33 111.48 1stu n VAL 52 Ca -0.16 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.22 1stu n VAL 52 Cb 0.61 -0.80 0.00 0.00 -1.06 0.00 0.00 33.84 32.59 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 -2.54 0.00 0.42 6.55 3.41 -1.26 0.25 113.62 120.44 1stu n SER 53 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.44 1stu n SER 53 Cb 0.25 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.12 1stu n SER 53 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1stu h LYS 54 N 0.00 -1.05 0.48 4.33 1.79 -1.92 -1.14 116.57 119.06 1stu h LYS 54 Ca 0.00 0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.52 1stu h LYS 54 Cb 0.00 0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 1stu h LYS 54 CO 0.00 -0.69 -0.38 0.87 -1.08 0.00 0.00 179.45 178.17 1stu h LYS 55 N -1.26 -0.79 -0.95 3.15 1.57 0.30 -1.59 116.57 117.00 1stu h LYS 55 Ca -0.11 0.05 0.28 0.00 -1.87 0.00 0.00 60.65 59.00 1stu h LYS 55 Cb 0.84 0.18 -0.17 0.00 0.08 0.00 0.00 32.23 33.16 1stu h LYS 55 CO 0.18 -0.53 0.17 0.00 -0.57 0.00 0.00 179.45 178.71 1stu h ARG 56 N -0.82 0.07 0.86 3.15 2.47 -0.98 0.16 114.38 119.30 1stu h ARG 56 Ca -0.06 -0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.61 1stu h ARG 56 Cb 0.69 -0.02 0.01 0.00 -1.65 0.00 0.00 29.97 29.00 1stu h ARG 56 CO 0.01 0.05 -0.44 0.00 0.56 0.00 0.00 179.97 180.14 1stu h ALA 57 N 1.92 -1.20 -0.05 0.04 0.00 -0.66 -0.66 119.26 118.64 1stu h ALA 57 Ca 0.62 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 55.28 1stu h ALA 57 Cb 1.34 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 19.61 1stu h ALA 57 CO -0.81 -1.18 -0.19 0.00 0.00 0.00 0.00 179.25 177.07 1stu h ALA 58 N -1.07 -0.59 -1.00 0.00 0.00 0.22 0.56 119.26 117.38 1stu h ALA 58 Ca -0.12 -0.02 0.33 0.00 0.00 0.00 0.00 54.91 55.10 1stu h ALA 58 Cb 0.93 0.73 -0.15 0.00 0.00 0.00 0.00 17.79 19.30 1stu h ALA 58 CO 0.18 -0.65 0.56 0.93 0.00 0.00 0.00 179.25 180.26 1stu h GLU 59 N -0.20 0.29 -0.25 0.00 4.39 -1.14 0.66 114.58 118.34 1stu h GLU 59 Ca 0.01 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.74 1stu h GLU 59 Cb 0.23 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.78 1stu h GLU 59 CO -0.15 0.19 -0.01 0.87 -1.16 0.00 0.00 179.01 178.75 1stu h LYS 60 N 0.30 0.06 0.43 2.33 6.56 0.69 0.13 116.57 127.07 1stu h LYS 60 Ca 0.74 -0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 60.30 1stu h LYS 60 Cb 1.70 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 33.35 1stu h LYS 60 CO -0.62 0.04 -0.21 1.98 -2.06 0.00 0.00 179.45 178.59 1stu h MET 61 N 0.07 -0.56 -0.12 3.15 1.85 0.14 0.22 114.93 119.67 1stu h MET 61 Ca 0.12 0.04 0.02 0.00 -0.61 0.00 0.00 59.70 59.26 1stu h MET 61 Cb 0.15 0.13 -0.04 0.00 0.43 0.00 0.00 31.60 32.27 1stu h MET 61 CO -0.20 -0.37 -0.31 -0.07 -0.40 0.00 0.00 176.91 175.55 1stu h LEU 62 N -0.90 -1.01 -1.51 3.39 3.38 -1.06 0.75 115.31 118.34 1stu h LEU 62 Ca -0.06 0.12 0.24 0.00 0.09 0.00 0.00 57.88 58.27 1stu h LEU 62 Cb 0.44 0.40 -0.07 0.00 0.09 0.00 0.00 40.66 41.52 1stu h LEU 62 CO 0.10 -0.26 0.64 0.58 0.09 0.00 0.00 178.44 179.59 1stu h VAL 63 N -0.30 0.60 0.09 1.22 2.07 -0.86 -1.42 116.25 117.64 1stu h VAL 63 Ca 0.02 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1stu h VAL 63 Cb 0.38 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1stu h VAL 63 CO -0.28 0.07 -0.20 -0.08 0.02 0.00 0.00 177.57 177.10 1stu h GLU 64 N 0.36 -0.31 -0.71 1.57 4.22 0.38 -0.04 114.58 120.05 1stu h GLU 64 Ca 0.52 0.02 0.11 0.00 0.08 0.00 0.00 59.36 60.09 1stu h GLU 64 Cb 1.39 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 30.63 1stu h GLU 64 CO -0.20 -0.20 0.33 -0.07 -2.18 0.00 0.00 179.01 176.69 1stu h LEU 65 N -0.32 0.40 -1.83 1.64 -0.00 -0.35 0.33 115.31 115.19 1stu h LEU 65 Ca -0.01 0.07 0.18 0.00 -0.00 0.00 0.00 57.88 58.12 1stu h LEU 65 Cb 0.30 0.01 -0.04 0.00 -0.00 0.00 0.00 40.66 40.94 1stu h LEU 65 CO -0.09 0.22 0.49 1.56 -0.00 0.00 0.00 178.44 180.62 1stu h GLN 66 N 0.55 0.15 0.19 1.13 7.50 -0.67 -1.49 115.11 122.47 1stu h GLN 66 Ca 0.36 -0.01 -0.30 0.00 0.50 0.00 0.00 58.65 59.21 1stu h GLN 66 Cb 0.43 -0.03 0.02 0.00 0.05 0.00 0.00 27.48 27.95 1stu h GLN 66 CO -0.30 0.10 -1.39 0.87 -1.50 0.00 0.00 178.83 176.61 1stu h LYS 67 N 0.16 0.40 0.00 1.46 6.56 0.95 -3.51 116.57 122.59 1stu h LYS 67 Ca 0.34 -0.69 0.00 0.00 -1.06 0.00 0.00 60.65 59.25 1stu h LYS 67 Cb 1.13 0.26 0.00 0.00 -0.57 0.00 0.00 32.23 33.05 1stu h LYS 67 CO -0.05 1.33 0.00 1.28 -2.06 0.00 0.00 179.45 179.95