#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1stu n ILE 2 N 0.00 1.48 -0.06 0.52 2.08 -1.26 -3.62 119.36 118.50 1stu n ILE 2 Ca 0.00 0.05 0.09 0.00 0.56 0.00 0.00 62.75 63.45 1stu n ILE 2 Cb 0.00 -2.24 0.47 0.00 -0.75 0.00 0.00 39.64 37.13 1stu n ILE 2 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 1stu h SER 3 N -1.00 0.41 -0.09 4.38 0.87 -2.01 -0.31 113.55 115.80 1stu h SER 3 Ca -0.17 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1stu h SER 3 Cb 0.99 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.86 1stu h SER 3 CO -0.11 0.26 0.04 0.06 -0.53 0.00 0.00 176.83 176.56 1stu h GLN 4 N 0.46 0.14 0.19 2.24 3.07 -2.00 0.68 115.11 119.89 1stu h GLN 4 Ca 0.24 -0.02 -0.01 0.00 0.09 0.00 0.00 58.65 58.95 1stu h GLN 4 Cb 0.34 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.88 1stu h GLN 4 CO -0.06 0.23 -0.09 0.28 0.09 0.00 0.00 178.83 179.27 1stu h VAL 5 N 0.02 0.00 -1.16 1.86 2.07 -1.32 -1.20 116.25 116.53 1stu h VAL 5 Ca 0.03 0.00 0.38 0.00 0.82 0.00 0.00 66.70 67.93 1stu h VAL 5 Cb 0.14 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.81 1stu h VAL 5 CO -0.00 0.00 0.78 1.41 0.02 0.00 0.00 177.57 179.77 1stu n HIS 6 N -2.68 0.37 0.02 1.57 8.25 -0.24 0.17 115.22 122.68 1stu n HIS 6 Ca -0.03 0.37 -0.01 0.00 -0.26 0.00 0.00 57.72 57.79 1stu n HIS 6 Cb 0.10 -0.76 -0.00 0.00 1.12 0.00 0.00 29.99 30.44 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 -0.05 0.16 -0.41 5.08 0.28 -1.65 114.58 117.99 1stu h GLU 7 Ca 0.67 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.03 1stu h GLU 7 Cb 2.31 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 31.56 1stu h GLU 7 CO -0.25 -0.03 -0.17 0.97 -1.00 0.00 0.00 179.01 178.53 1stu h ILE 8 N -0.08 0.63 -0.67 3.13 -0.00 0.48 0.20 117.51 121.20 1stu h ILE 8 Ca -0.01 0.00 0.14 0.00 -0.00 0.00 0.00 64.86 64.99 1stu h ILE 8 Cb 0.04 0.63 -0.13 0.00 -0.00 0.00 0.00 36.82 37.37 1stu h ILE 8 CO 0.01 0.00 -0.14 1.23 -0.00 0.00 0.00 178.15 179.25 1stu h GLY 9 N -0.36 0.53 0.00 8.18 0.00 -0.40 0.04 103.07 111.06 1stu h GLY 9 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1stu h GLY 9 CO -0.05 -0.25 -0.00 -2.22 0.00 0.00 0.00 176.54 174.02 1stu h ILE 10 N 0.02 0.00 -0.84 2.60 1.08 -1.02 0.99 117.51 120.33 1stu h ILE 10 Ca 0.33 -0.47 0.24 0.00 -0.39 0.00 0.00 64.86 64.58 1stu h ILE 10 Cb 0.51 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.23 1stu h ILE 10 CO -0.67 0.00 1.17 1.17 -0.69 0.00 0.00 178.15 179.13 1stu n LYS 11 N -3.30 0.02 -0.11 2.37 4.81 0.67 -0.99 118.16 121.64 1stu n LYS 11 Ca -0.00 0.99 -0.23 0.00 -0.87 0.00 0.00 58.31 58.21 1stu n LYS 11 Cb 0.00 -2.51 -0.08 0.00 0.02 0.00 0.00 35.03 32.47 1stu n LYS 11 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1stu n ARG 12 N -3.08 0.45 0.00 1.64 0.00 -0.00 -5.03 116.66 110.64 1stu n ARG 12 Ca 0.19 0.20 0.00 0.00 -0.00 0.00 0.00 57.85 58.24 1stu n ARG 12 Cb 1.42 -1.26 0.00 0.00 0.00 0.00 0.00 32.46 32.62 1stu n ARG 12 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1stu n ASN 13 N -3.93 0.00 -4.54 6.15 4.13 0.24 -5.08 115.26 112.23 1stu n ASN 13 Ca -0.42 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 55.53 1stu n ASN 13 Cb 0.80 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.98 1stu n ASN 13 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 1stu n MET 14 N 0.00 0.74 -0.98 3.52 2.81 0.32 -4.39 117.12 119.14 1stu n MET 14 Ca 0.00 -0.19 -0.35 0.00 -1.81 0.00 0.00 57.70 55.35 1stu n MET 14 Cb 0.00 -3.12 0.07 0.00 -0.71 0.00 0.00 33.22 29.47 1stu n MET 14 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1stu n THR 15 N 7.99 0.26 -3.65 2.03 -2.24 -1.24 -3.50 114.28 113.93 1stu n THR 15 Ca 0.45 -0.37 -0.28 0.00 -2.27 0.00 0.00 64.05 61.58 1stu n THR 15 Cb 0.43 -0.35 -0.11 0.00 -2.10 0.00 0.00 70.33 68.20 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 -2.14 1.51 -0.69 2.28 1.01 -1.09 -3.51 120.40 117.78 1stu s VAL 16 Ca 0.51 -3.22 -0.05 0.00 0.00 0.00 0.00 61.98 59.23 1stu s VAL 16 Cb -0.24 -2.02 0.18 0.00 0.00 0.00 0.00 36.38 34.30 1stu s VAL 16 CO 0.72 -1.07 0.53 -1.00 0.00 0.00 0.00 175.10 174.28 1stu s HIS 17 N -0.42 3.51 -0.16 5.22 3.76 -0.89 -4.78 115.29 121.52 1stu s HIS 17 Ca 0.26 -2.64 -0.29 0.00 -0.15 0.00 0.00 55.06 52.24 1stu s HIS 17 Cb -0.06 -3.31 -0.01 0.00 1.11 0.00 0.00 32.58 30.31 1stu s HIS 17 CO -0.14 -0.85 1.23 -0.06 -0.85 0.00 0.00 174.74 174.06 1stu s PHE 18 N -0.18 2.95 -0.14 1.40 0.08 -1.26 -0.92 117.98 119.91 1stu s PHE 18 Ca 0.18 1.09 -0.04 0.00 0.12 0.00 0.00 56.93 58.28 1stu s PHE 18 Cb -0.17 -3.46 0.07 0.00 -0.57 0.00 0.00 43.02 38.88 1stu s PHE 18 CO -0.05 -1.50 0.23 0.21 -0.10 0.00 0.00 175.22 174.01 1stu s LYS 19 N 3.28 0.14 -0.37 0.44 2.20 -0.14 -4.95 119.74 120.33 1stu s LYS 19 Ca 0.54 0.54 -0.29 0.00 -0.36 0.00 0.00 55.97 56.39 1stu s LYS 19 Cb -0.21 -0.45 0.02 0.00 -1.51 0.00 0.00 37.83 35.67 1stu s LYS 19 CO 0.15 -0.41 1.19 0.08 -0.36 0.00 0.00 175.35 176.00 1stu s VAL 20 N 2.37 4.25 -0.41 4.02 1.01 -1.26 -1.13 120.40 129.24 1stu s VAL 20 Ca 0.04 1.37 0.15 0.00 0.00 0.00 0.00 61.98 63.53 1stu s VAL 20 Cb -0.13 -4.38 0.45 0.00 0.00 0.00 0.00 36.38 32.32 1stu s VAL 20 CO -0.09 -0.67 1.36 0.00 0.00 0.00 0.00 175.10 175.70 1stu n LEU 21 N 7.60 3.56 -3.83 3.92 -0.00 -1.08 -4.94 117.00 122.23 1stu n LEU 21 Ca 0.13 -2.69 -0.10 0.00 -0.00 0.00 0.00 56.01 53.35 1stu n LEU 21 Cb 0.48 -0.44 -0.08 0.00 -0.00 0.00 0.00 43.42 43.38 1stu n LEU 21 CO 0.65 0.69 -0.07 -0.13 -0.00 0.00 0.00 177.39 178.53 1stu s ARG 22 N -2.23 0.75 -0.25 1.47 0.52 -1.23 -4.95 118.95 113.03 1stu s ARG 22 Ca 0.36 -0.67 -0.08 0.00 -0.52 0.00 0.00 55.73 54.82 1stu s ARG 22 Cb 0.27 0.31 0.12 0.00 0.52 0.00 0.00 34.95 36.17 1stu s ARG 22 CO 0.11 -0.23 0.53 -1.21 0.02 0.00 0.00 175.30 174.53 1stu s GLU 23 N -2.81 0.46 0.23 3.54 2.02 -1.26 -3.42 118.70 117.45 1stu s GLU 23 Ca -0.03 1.21 0.01 0.00 0.02 0.00 0.00 54.97 56.18 1stu s GLU 23 Cb 0.00 0.57 -0.04 0.00 0.10 0.00 0.00 34.13 34.76 1stu s GLU 23 CO -0.05 -0.26 0.17 -1.83 0.02 0.00 0.00 175.26 173.30 1stu s GLU 24 N 2.76 1.33 0.00 1.61 -1.05 -0.81 -5.02 118.70 117.52 1stu s GLU 24 Ca -0.02 -1.72 0.00 0.00 -0.15 0.00 0.00 54.97 53.08 1stu s GLU 24 Cb -0.12 0.28 0.00 0.00 -0.44 0.00 0.00 34.13 33.85 1stu s GLU 24 CO -0.16 -0.45 0.00 0.41 0.95 0.00 0.00 175.26 176.01 1stu n GLY 25 N -0.35 3.62 0.03 -3.83 0.00 -1.26 -1.91 105.19 101.48 1stu n GLY 25 Ca 0.03 -1.58 -0.01 0.00 0.00 0.00 0.00 46.02 44.46 1stu n GLY 25 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1stu h PRO 26 N 0.00 -0.06 0.00 1.61 0.13 -2.00 -3.46 132.00 128.22 1stu h PRO 26 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.07 1stu h PRO 26 Cb 0.00 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.08 1stu h PRO 26 CO 0.00 -0.04 -0.14 0.00 -0.23 0.00 0.00 178.00 177.59 1stu n ALA 27 N -2.04 0.80 -0.02 -0.56 0.00 -1.26 -5.04 120.51 112.39 1stu n ALA 27 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1stu n ALA 27 Cb 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.26 -2.37 -1.66 0.00 -0.00 -1.26 -4.96 115.22 104.71 1stu n HIS 28 Ca -0.12 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.24 1stu n HIS 28 Cb 0.54 0.49 -0.03 0.00 -0.00 0.00 0.00 29.99 30.99 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 -2.47 3.92 -2.37 -1.40 2.81 -1.26 -4.91 117.12 111.44 1stu n MET 29 Ca 0.00 -2.78 -0.43 0.00 -1.81 0.00 0.00 57.70 52.68 1stu n MET 29 Cb 0.00 -2.59 -0.02 0.00 -0.71 0.00 0.00 33.22 29.90 1stu n MET 29 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1stu s LYS 30 N -0.02 3.93 0.05 0.03 1.02 -1.26 -4.68 119.74 118.80 1stu s LYS 30 Ca 0.61 1.35 -0.10 0.00 0.02 0.00 0.00 55.97 57.85 1stu s LYS 30 Cb 0.21 -3.89 -0.05 0.00 -0.52 0.00 0.00 37.83 33.58 1stu s LYS 30 CO -0.09 -1.11 0.36 -0.80 -0.92 0.00 0.00 175.35 172.80 1stu s ASN 31 N 2.94 6.62 -0.02 2.83 0.01 -0.80 0.38 114.94 126.90 1stu s ASN 31 Ca 0.59 0.75 0.07 0.00 -0.71 0.00 0.00 52.86 53.56 1stu s ASN 31 Cb -0.18 -2.16 -0.02 0.00 0.41 0.00 0.00 41.25 39.30 1stu s ASN 31 CO 0.23 0.21 -0.24 -0.36 -1.51 0.00 0.00 177.10 175.44 1stu s PHE 32 N -1.33 2.19 -0.74 2.20 0.40 -0.05 -1.92 117.98 118.72 1stu s PHE 32 Ca 0.30 -0.45 -0.21 0.00 -0.60 0.00 0.00 56.93 55.98 1stu s PHE 32 Cb -0.14 -1.41 0.10 0.00 0.51 0.00 0.00 43.02 42.07 1stu s PHE 32 CO 0.17 -0.06 0.99 0.42 0.70 0.00 0.00 175.22 177.43 1stu s ILE 33 N -0.51 4.52 -0.25 0.64 -1.09 -1.22 -0.49 121.20 122.80 1stu s ILE 33 Ca 0.08 -0.86 -0.22 0.00 -2.23 0.00 0.00 60.65 57.42 1stu s ILE 33 Cb -0.10 -4.69 -0.01 0.00 -1.58 0.00 0.00 42.46 36.07 1stu s ILE 33 CO -0.00 -1.44 0.69 -0.89 -1.23 0.00 0.00 174.94 172.07 1stu s THR 34 N 3.42 4.94 -0.36 2.92 2.01 0.15 -2.63 115.64 126.10 1stu s THR 34 Ca 0.24 1.24 -0.17 0.00 0.31 0.00 0.00 61.69 63.32 1stu s THR 34 Cb -0.14 -3.99 -0.00 0.00 0.01 0.00 0.00 72.50 68.38 1stu s THR 34 CO 0.03 -0.01 0.46 0.00 -0.69 0.00 0.00 174.62 174.41 1stu s ALA 35 N 2.61 3.47 -0.22 7.40 0.00 -0.28 -0.66 121.76 134.08 1stu s ALA 35 Ca 0.29 -1.15 -0.09 0.00 0.00 0.00 0.00 51.96 51.00 1stu s ALA 35 Cb -0.15 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 1stu s ALA 35 CO 0.08 -1.25 0.12 0.00 0.00 0.00 0.00 175.76 174.71 1stu s ILE 37 N 0.89 3.97 -0.07 0.00 -1.16 -0.10 -0.52 121.20 124.20 1stu s ILE 37 Ca 0.06 1.56 0.03 0.00 -0.51 0.00 0.00 60.65 61.80 1stu s ILE 37 Cb -0.13 -4.00 0.01 0.00 0.61 0.00 0.00 42.46 38.94 1stu s ILE 37 CO 0.03 0.21 -0.17 0.54 -2.81 0.00 0.00 174.94 172.73 1stu s VAL 38 N 0.30 1.52 0.00 4.00 0.11 -0.14 -2.10 120.40 124.10 1stu s VAL 38 Ca 0.53 -0.71 0.00 0.00 -2.93 0.00 0.00 61.98 58.87 1stu s VAL 38 Cb -0.29 -1.34 0.00 0.00 -1.53 0.00 0.00 36.38 33.22 1stu s VAL 38 CO 0.33 0.44 0.00 0.61 -3.33 0.00 0.00 175.10 173.15 1stu n GLY 39 N 3.60 1.51 0.04 6.54 0.00 -1.25 -0.13 105.19 115.49 1stu n GLY 39 Ca -0.21 0.64 0.02 0.00 0.00 0.00 0.00 46.02 46.47 1stu n GLY 39 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1stu n SER 40 N 4.60 0.47 -4.57 1.61 2.88 -1.26 -4.44 113.62 112.91 1stu n SER 40 Ca 0.00 -0.73 -0.30 0.00 -1.33 0.00 0.00 58.87 56.51 1stu n SER 40 Cb 0.00 0.75 -0.10 0.00 -0.75 0.00 0.00 64.21 64.11 1stu n SER 40 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1stu s ILE 41 N -1.10 3.37 -0.14 2.46 1.01 0.81 -5.10 121.20 122.51 1stu s ILE 41 Ca 0.02 -1.21 -0.19 0.00 0.00 0.00 0.00 60.65 59.28 1stu s ILE 41 Cb 0.03 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 1stu s ILE 41 CO 0.13 0.16 0.51 -0.69 0.00 0.00 0.00 174.94 175.05 1stu s VAL 42 N -1.17 5.15 -0.69 2.92 1.01 -1.26 -0.97 120.40 125.39 1stu s VAL 42 Ca 0.20 1.00 -0.11 0.00 0.00 0.00 0.00 61.98 63.07 1stu s VAL 42 Cb -0.11 -3.85 0.18 0.00 0.00 0.00 0.00 36.38 32.60 1stu s VAL 42 CO 0.12 0.27 0.59 0.42 0.00 0.00 0.00 175.10 176.50 1stu s THR 43 N 0.99 4.91 0.69 3.92 -4.23 0.32 -4.87 115.64 117.37 1stu s THR 43 Ca 0.26 -2.35 0.03 0.00 -1.18 0.00 0.00 61.69 58.46 1stu s THR 43 Cb -0.15 -4.11 0.13 0.00 1.34 0.00 0.00 72.50 69.71 1stu s THR 43 CO 0.11 -0.93 0.95 -1.83 -0.54 0.00 0.00 174.62 172.37 1stu s GLU 44 N 0.49 1.78 0.16 3.99 -1.05 -1.26 -1.67 118.70 121.14 1stu s GLU 44 Ca 0.14 -1.39 -0.24 0.00 -0.15 0.00 0.00 54.97 53.33 1stu s GLU 44 Cb -0.18 -2.43 0.06 0.00 -0.44 0.00 0.00 34.13 31.14 1stu s GLU 44 CO -0.05 -1.34 0.84 0.20 0.95 0.00 0.00 175.26 175.86 1stu s GLY 45 N -4.76 -0.28 -0.54 -3.83 0.00 0.17 -4.76 107.32 93.30 1stu s GLY 45 Ca 0.66 0.21 -0.01 0.00 0.00 0.00 0.00 44.72 45.58 1stu s GLY 45 CO 0.43 0.06 0.33 -1.83 0.00 0.00 0.00 173.10 172.09 1stu s GLU 46 N -3.48 2.26 0.88 2.90 -1.05 -1.26 0.34 118.70 119.30 1stu s GLU 46 Ca 0.09 -2.38 -0.12 0.00 -0.15 0.00 0.00 54.97 52.42 1stu s GLU 46 Cb -0.02 -3.58 0.12 0.00 -0.44 0.00 0.00 34.13 30.21 1stu s GLU 46 CO -0.00 -1.12 1.11 0.20 0.95 0.00 0.00 175.26 176.40 1stu s GLY 47 N 0.70 1.59 -0.61 -3.83 0.00 0.35 -4.73 107.32 100.80 1stu s GLY 47 Ca 0.15 -0.36 -0.05 0.00 0.00 0.00 0.00 44.72 44.46 1stu s GLY 47 CO -0.03 0.16 0.44 0.54 0.00 0.00 0.00 173.10 174.20 1stu s ASN 48 N -3.86 5.45 0.00 1.64 4.22 -1.26 -0.87 114.94 120.25 1stu s ASN 48 Ca 0.63 -2.65 0.00 0.00 -2.14 0.00 0.00 52.86 48.70 1stu s ASN 48 Cb -0.15 -1.90 0.00 0.00 1.28 0.00 0.00 41.25 40.47 1stu s ASN 48 CO 0.54 -0.44 0.00 0.61 -2.04 0.00 0.00 177.10 175.77 1stu n GLY 49 N 3.81 0.84 0.43 0.45 0.00 0.16 -4.74 105.19 106.13 1stu n GLY 49 Ca 0.06 -1.73 -0.09 0.00 0.00 0.00 0.00 46.02 44.26 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 0.22 0.06 1.61 4.81 -1.26 -4.05 118.16 119.55 1stu n LYS 50 Ca 0.00 0.08 0.12 0.00 -0.87 0.00 0.00 58.31 57.64 1stu n LYS 50 Cb 0.00 -0.99 0.17 0.00 0.02 0.00 0.00 35.03 34.23 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 -3.18 0.28 0.05 1.64 5.02 -1.26 -3.92 118.16 116.80 1stu n LYS 51 Ca -0.18 0.08 -0.20 0.00 -2.02 0.00 0.00 58.31 55.98 1stu n LYS 51 Cb 0.65 -1.68 -0.11 0.00 -0.02 0.00 0.00 35.03 33.88 1stu n LYS 51 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 1stu h VAL 52 N 0.00 1.28 -1.48 -0.18 3.04 -1.85 -3.26 116.25 113.81 1stu h VAL 52 Ca 0.00 -2.29 0.47 0.00 -1.01 0.00 0.00 66.70 63.87 1stu h VAL 52 Cb 0.74 2.44 -0.11 0.00 -2.01 0.00 0.00 31.29 32.35 1stu h VAL 52 CO 0.00 0.71 1.00 -1.54 -1.01 0.00 0.00 177.57 176.73 1stu n SER 53 N -3.84 0.12 -0.03 3.17 3.41 -1.25 0.12 113.62 115.31 1stu n SER 53 Ca -0.11 1.12 -0.14 0.00 -0.26 0.00 0.00 58.87 59.47 1stu n SER 53 Cb 0.90 -0.55 -0.10 0.00 -0.26 0.00 0.00 64.21 64.20 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 0.23 0.17 4.33 1.79 -1.81 -0.62 116.57 120.66 1stu h LYS 54 Ca 0.82 -0.18 -0.01 0.00 -2.18 0.00 0.00 60.65 59.11 1stu h LYS 54 Cb 2.93 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 33.62 1stu h LYS 54 CO -0.26 0.81 -0.09 0.87 -1.08 0.00 0.00 179.45 179.70 1stu h LYS 55 N -0.30 -0.23 0.64 3.15 1.57 0.69 -1.25 116.57 120.84 1stu h LYS 55 Ca -0.01 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1stu h LYS 55 Cb 0.84 0.05 0.01 0.00 0.08 0.00 0.00 32.23 33.21 1stu h LYS 55 CO 0.04 -0.16 -0.31 -0.09 -0.57 0.00 0.00 179.45 178.37 1stu h ARG 56 N -0.24 -0.82 -0.91 3.15 9.65 -1.30 -1.72 114.38 122.19 1stu h ARG 56 Ca -0.02 0.06 0.21 0.00 -1.10 0.00 0.00 59.98 59.12 1stu h ARG 56 Cb 0.19 0.19 -0.17 0.00 -1.39 0.00 0.00 29.97 28.79 1stu h ARG 56 CO 0.03 -0.55 -0.12 0.00 2.80 0.00 0.00 179.97 182.13 1stu h ALA 57 N -1.60 0.80 0.16 2.80 0.00 -1.12 0.27 119.26 120.57 1stu h ALA 57 Ca -0.09 0.33 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1stu h ALA 57 Cb 0.66 0.62 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1stu h ALA 57 CO 0.14 -0.45 -0.29 0.00 0.00 0.00 0.00 179.25 178.65 1stu h ALA 58 N 1.90 -0.53 -1.10 0.00 0.00 -1.04 0.28 119.26 118.78 1stu h ALA 58 Ca 0.48 -0.06 0.30 0.00 0.00 0.00 0.00 54.91 55.64 1stu h ALA 58 Cb 0.84 0.46 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 1stu h ALA 58 CO -0.89 -0.85 0.75 0.93 0.00 0.00 0.00 179.25 179.19 1stu h GLU 59 N -0.54 0.20 -0.34 0.00 4.39 0.41 0.72 114.58 119.41 1stu h GLU 59 Ca 0.02 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 1stu h GLU 59 Cb 0.55 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1stu h GLU 59 CO -0.14 0.13 0.01 0.87 -1.16 0.00 0.00 179.01 178.71 1stu h LYS 60 N 0.21 0.60 0.72 2.33 1.79 0.85 0.55 116.57 123.62 1stu h LYS 60 Ca 0.58 -0.19 -0.04 0.00 -2.18 0.00 0.00 60.65 58.83 1stu h LYS 60 Cb 1.85 -0.06 0.01 0.00 -1.58 0.00 0.00 32.23 32.45 1stu h LYS 60 CO -0.17 0.72 -0.35 1.98 -1.08 0.00 0.00 179.45 180.55 1stu h MET 61 N 0.42 -0.93 0.58 3.15 4.05 0.20 0.17 114.93 122.56 1stu h MET 61 Ca 0.10 0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.56 1stu h MET 61 Cb 0.44 0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 31.44 1stu h MET 61 CO 0.02 -0.62 -0.44 -0.07 0.23 0.00 0.00 176.91 176.02 1stu h LEU 62 N -1.19 -1.17 -1.55 3.39 3.38 -1.20 -0.74 115.31 116.23 1stu h LEU 62 Ca -0.10 0.08 0.26 0.00 0.09 0.00 0.00 57.88 58.21 1stu h LEU 62 Cb 0.74 0.37 -0.08 0.00 0.09 0.00 0.00 40.66 41.78 1stu h LEU 62 CO 0.16 -0.63 0.68 0.58 0.09 0.00 0.00 178.44 179.32 1stu h VAL 63 N -0.99 0.54 0.63 1.22 2.07 -0.98 -0.58 116.25 118.17 1stu h VAL 63 Ca -0.08 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1stu h VAL 63 Cb 0.82 0.21 0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1stu h VAL 63 CO 0.02 0.06 -0.31 -0.33 0.02 0.00 0.00 177.57 177.03 1stu h GLU 64 N 0.30 -0.82 -0.01 1.57 4.39 0.75 0.14 114.58 120.90 1stu h GLU 64 Ca 0.55 0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.31 1stu h GLU 64 Cb 1.56 0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 30.40 1stu h GLU 64 CO -0.20 -0.55 0.02 1.37 -1.16 0.00 0.00 179.01 178.49 1stu h LEU 65 N -0.85 0.00 0.00 1.33 -0.00 -0.46 -0.12 115.31 115.21 1stu h LEU 65 Ca -0.09 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.72 1stu h LEU 65 Cb 0.65 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.30 1stu h LEU 65 CO 0.14 0.00 -0.53 1.56 -0.00 0.00 0.00 178.44 179.61 1stu h GLN 66 N 0.00 0.00 0.13 0.17 7.50 -0.63 -3.28 115.11 119.00 1stu h GLN 66 Ca 0.00 0.00 -0.28 0.00 0.50 0.00 0.00 58.65 58.88 1stu h GLN 66 Cb 0.05 0.00 0.01 0.00 0.05 0.00 0.00 27.48 27.59 1stu h GLN 66 CO -0.00 0.30 -1.24 0.87 -1.50 0.00 0.00 178.83 177.25 1stu h LYS 67 N 0.00 0.28 0.00 1.46 1.57 0.12 -3.50 116.57 116.50 1stu h LYS 67 Ca -0.02 -0.48 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1stu h LYS 67 Cb 1.28 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.76 1stu h LYS 67 CO 0.04 1.23 0.00 1.28 -0.57 0.00 0.00 179.45 181.43