#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 -0.62 4.25 1.08 -1.88 -1.93 117.51 118.41 1stu h ILE 2 Ca 0.00 -0.30 0.15 0.00 -0.39 0.00 0.00 64.86 64.32 1stu h ILE 2 Cb 0.00 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 33.72 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 -0.56 0.15 0.30 1.72 4.64 -2.00 -1.23 113.55 116.56 1stu h SER 3 Ca -0.03 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1stu h SER 3 Cb 0.20 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1stu h SER 3 CO 0.04 0.08 -0.14 1.56 -0.87 0.00 0.00 176.83 177.50 1stu h GLN 4 N 0.16 -0.38 0.38 4.77 1.08 -1.99 -0.32 115.11 118.81 1stu h GLN 4 Ca 0.30 0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.51 1stu h GLN 4 Cb 0.95 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.46 1stu h GLN 4 CO -0.05 -0.14 -0.25 0.28 -0.95 0.00 0.00 178.83 177.72 1stu h VAL 5 N -0.57 0.48 -1.07 -0.54 2.07 -0.44 -0.01 116.25 116.17 1stu h VAL 5 Ca -0.04 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.78 1stu h VAL 5 Cb 0.42 0.48 -0.11 0.00 -1.52 0.00 0.00 31.29 30.55 1stu h VAL 5 CO 0.07 0.00 0.67 0.45 0.02 0.00 0.00 177.57 178.77 1stu h HIS 6 N -0.61 0.75 0.32 1.57 3.86 -1.23 0.48 115.15 120.29 1stu h HIS 6 Ca -0.04 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 1stu h HIS 6 Cb 0.51 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1stu h HIS 6 CO -0.10 -0.02 -0.15 0.93 0.86 0.00 0.00 177.93 179.45 1stu h GLU 7 N 0.37 -0.41 -0.04 2.45 5.08 0.79 -1.83 114.58 120.99 1stu h GLU 7 Ca 0.66 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 59.04 1stu h GLU 7 Cb 1.64 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.99 1stu h GLU 7 CO -0.40 -0.27 0.01 -0.84 -1.00 0.00 0.00 179.01 176.50 1stu h ILE 8 N -0.49 1.22 -0.46 3.13 -0.00 -0.69 0.10 117.51 120.32 1stu h ILE 8 Ca -0.04 -0.66 0.08 0.00 -0.00 0.00 0.00 64.86 64.23 1stu h ILE 8 Cb 0.33 1.58 -0.10 0.00 -0.00 0.00 0.00 36.82 38.63 1stu h ILE 8 CO 0.07 0.18 -0.43 1.23 -0.00 0.00 0.00 178.15 179.21 1stu h GLY 9 N -0.18 -0.51 1.92 0.16 0.00 -0.16 0.90 103.07 105.19 1stu h GLY 9 Ca 0.01 0.55 -0.10 0.00 0.00 0.00 0.00 47.33 47.79 1stu h GLY 9 CO 0.00 -0.18 -0.46 -2.22 0.00 0.00 0.00 176.54 173.69 1stu h ILE 10 N -0.29 1.33 0.00 2.60 1.08 -1.30 1.43 117.51 122.36 1stu h ILE 10 Ca 0.15 -1.60 0.00 0.00 -0.39 0.00 0.00 64.86 63.02 1stu h ILE 10 Cb 0.58 1.82 0.00 0.00 -3.07 0.00 0.00 36.82 36.14 1stu h ILE 10 CO -0.61 0.46 0.00 0.29 -0.69 0.00 0.00 178.15 177.61 1stu n LYS 11 N -3.99 0.57 -0.11 2.37 5.02 0.53 -3.36 118.16 119.19 1stu n LYS 11 Ca -0.02 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.29 1stu n LYS 11 Cb 0.49 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 34.02 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 -1.21 0.95 -0.23 1.97 0.00 0.28 -4.96 116.66 113.45 1stu n ARG 12 Ca 0.17 -1.12 0.00 0.00 -0.00 0.00 0.00 57.85 56.89 1stu n ARG 12 Cb 0.21 -0.76 0.00 0.00 0.00 0.00 0.00 32.46 31.91 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 -0.31 0.00 -4.55 6.15 5.15 -0.08 -4.94 115.26 116.67 1stu n ASN 13 Ca 0.02 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.60 1stu n ASN 13 Cb 0.49 -0.10 -0.03 0.00 -0.53 0.00 0.00 39.78 39.61 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 -0.01 3.29 0.78 1.20 -1.94 0.47 -4.06 119.30 119.02 1stu s MET 14 Ca 0.00 -0.57 -0.16 0.00 -1.71 0.00 0.00 55.69 53.25 1stu s MET 14 Cb 0.00 -4.74 -0.07 0.00 2.01 0.00 0.00 34.83 32.03 1stu s MET 14 CO 0.00 -2.28 0.14 0.25 -0.01 0.00 0.00 175.02 173.12 1stu n THR 15 N 6.73 0.86 -3.69 2.05 -2.24 -1.26 -3.25 114.28 113.47 1stu n THR 15 Ca 0.19 -0.40 -0.30 0.00 -2.27 0.00 0.00 64.05 61.27 1stu n THR 15 Cb 0.50 -0.45 -0.14 0.00 -2.10 0.00 0.00 70.33 68.14 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 -2.02 1.06 -0.51 2.28 1.01 -1.10 -3.07 120.40 118.05 1stu s VAL 16 Ca 0.58 -2.02 0.03 0.00 0.00 0.00 0.00 61.98 60.56 1stu s VAL 16 Cb -0.32 -1.76 0.13 0.00 0.00 0.00 0.00 36.38 34.43 1stu s VAL 16 CO 0.66 -0.82 0.26 -1.00 0.00 0.00 0.00 175.10 174.19 1stu s HIS 17 N 0.91 3.28 0.00 5.22 3.76 -0.82 -4.85 115.29 122.79 1stu s HIS 17 Ca 0.15 -3.09 -0.30 0.00 -0.15 0.00 0.00 55.06 51.67 1stu s HIS 17 Cb -0.22 -2.89 -0.03 0.00 1.11 0.00 0.00 32.58 30.55 1stu s HIS 17 CO -0.09 -0.78 1.04 -0.06 -0.85 0.00 0.00 174.74 174.00 1stu s PHE 18 N -0.12 3.58 -0.24 1.40 0.08 -1.26 -1.45 117.98 119.97 1stu s PHE 18 Ca 0.16 1.58 -0.03 0.00 0.12 0.00 0.00 56.93 58.76 1stu s PHE 18 Cb -0.24 -3.21 0.13 0.00 -0.57 0.00 0.00 43.02 39.13 1stu s PHE 18 CO -0.01 -0.37 0.38 0.15 -0.10 0.00 0.00 175.22 175.27 1stu s LYS 19 N 1.15 0.35 -0.24 0.44 1.02 0.37 -4.99 119.74 117.85 1stu s LYS 19 Ca 0.53 0.58 -0.29 0.00 0.02 0.00 0.00 55.97 56.81 1stu s LYS 19 Cb -0.23 -0.40 0.01 0.00 -0.52 0.00 0.00 37.83 36.69 1stu s LYS 19 CO 0.27 -0.61 1.12 0.08 -0.92 0.00 0.00 175.35 175.29 1stu s VAL 20 N 2.56 4.51 -0.08 3.17 1.01 -1.26 -0.85 120.40 129.45 1stu s VAL 20 Ca 0.12 1.80 0.02 0.00 0.00 0.00 0.00 61.98 63.92 1stu s VAL 20 Cb -0.15 -4.25 0.05 0.00 0.00 0.00 0.00 36.38 32.02 1stu s VAL 20 CO -0.16 -0.26 1.03 0.00 0.00 0.00 0.00 175.10 175.72 1stu n LEU 21 N 6.61 2.11 -4.11 3.92 -0.00 -1.11 -4.93 117.00 119.48 1stu n LEU 21 Ca 0.13 -2.07 -0.11 0.00 -0.00 0.00 0.00 56.01 53.95 1stu n LEU 21 Cb 0.46 -0.05 -0.11 0.00 -0.00 0.00 0.00 43.42 43.73 1stu n LEU 21 CO 0.55 0.53 -0.39 -0.13 -0.00 0.00 0.00 177.39 177.96 1stu s ARG 22 N -1.13 0.67 -0.35 1.47 0.52 -1.21 -4.94 118.95 113.98 1stu s ARG 22 Ca 0.04 -1.06 0.15 0.00 -0.52 0.00 0.00 55.73 54.34 1stu s ARG 22 Cb 0.03 -0.19 0.42 0.00 0.52 0.00 0.00 34.95 35.73 1stu s ARG 22 CO 0.01 -0.00 1.00 0.39 0.02 0.00 0.00 175.30 176.73 1stu n GLU 23 N 0.65 1.12 -1.59 3.54 1.02 -1.26 -3.82 120.64 120.29 1stu n GLU 23 Ca -0.17 -2.92 -0.59 0.00 -0.02 0.00 0.00 57.16 53.45 1stu n GLU 23 Cb 0.58 -1.07 -0.09 0.00 -0.02 0.00 0.00 31.44 30.84 1stu n GLU 23 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1stu n GLU 24 N -0.09 0.66 0.00 3.49 0.00 -0.28 -4.78 120.64 119.64 1stu n GLU 24 Ca 0.09 0.22 0.00 0.00 0.00 0.00 0.00 57.16 57.47 1stu n GLU 24 Cb 0.79 -1.91 0.00 0.00 0.00 0.00 0.00 31.44 30.32 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 5.16 3.81 0.40 8.31 0.00 -1.26 -2.40 105.19 119.20 1stu n GLY 25 Ca 0.35 -0.30 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.97 -0.20 1.61 0.11 -2.02 -3.41 132.00 127.12 1stu h PRO 26 Ca 0.00 0.07 -0.20 0.00 0.11 0.00 0.00 66.00 65.97 1stu h PRO 26 Cb 0.00 0.22 -0.28 0.00 0.11 0.00 0.00 31.00 31.05 1stu h PRO 26 CO 0.00 -0.65 -0.71 0.00 -0.21 0.00 0.00 178.00 176.43 1stu n ALA 27 N -2.55 2.77 -2.99 -0.75 0.00 -1.26 -5.11 120.51 110.62 1stu n ALA 27 Ca -0.13 -1.88 0.00 0.00 0.00 0.00 0.00 53.44 51.44 1stu n ALA 27 Cb 0.40 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.03 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 -0.93 0.00 -3.43 0.00 8.25 -1.26 -5.09 115.22 112.76 1stu n HIS 28 Ca -0.06 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.14 1stu n HIS 28 Cb 0.85 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.87 1stu n HIS 28 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1stu n MET 29 N 0.00 1.94 0.00 -0.41 0.00 -1.26 -4.86 117.12 112.53 1stu n MET 29 Ca 0.00 -4.26 0.00 0.00 0.00 0.00 0.00 57.70 53.44 1stu n MET 29 Cb 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 33.22 31.21 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 1.20 0.00 -4.44 3.17 4.76 -1.22 -3.59 118.16 118.05 1stu n LYS 30 Ca 0.27 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.47 1stu n LYS 30 Cb 0.43 -0.03 -0.11 0.00 -1.84 0.00 0.00 35.03 33.49 1stu n LYS 30 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1stu s ASN 31 N -1.24 3.40 -0.02 4.39 0.01 -1.01 0.61 114.94 121.08 1stu s ASN 31 Ca 0.00 -0.97 0.01 0.00 -0.71 0.00 0.00 52.86 51.19 1stu s ASN 31 Cb 0.00 -0.26 0.01 0.00 0.41 0.00 0.00 41.25 41.41 1stu s ASN 31 CO 0.00 0.04 -0.03 -0.36 -1.51 0.00 0.00 177.10 175.24 1stu s PHE 32 N -2.28 0.43 -0.72 2.20 0.40 -0.47 -1.13 117.98 116.41 1stu s PHE 32 Ca 0.26 -0.07 -0.21 0.00 -0.60 0.00 0.00 56.93 56.31 1stu s PHE 32 Cb -0.06 -0.39 0.09 0.00 0.51 0.00 0.00 43.02 43.17 1stu s PHE 32 CO 0.12 -0.09 0.97 0.42 0.70 0.00 0.00 175.22 177.35 1stu s ILE 33 N 0.54 4.48 -0.39 0.64 -1.09 -1.25 -0.56 121.20 123.58 1stu s ILE 33 Ca -0.06 -0.74 -0.23 0.00 -2.23 0.00 0.00 60.65 57.40 1stu s ILE 33 Cb -0.09 -4.69 0.01 0.00 -1.58 0.00 0.00 42.46 36.12 1stu s ILE 33 CO -0.01 -1.43 0.75 -0.89 -1.23 0.00 0.00 174.94 172.13 1stu s THR 34 N 3.56 4.74 -0.27 2.92 2.01 -0.40 -2.76 115.64 125.45 1stu s THR 34 Ca 0.23 0.69 -0.29 0.00 0.31 0.00 0.00 61.69 62.63 1stu s THR 34 Cb -0.15 -4.21 0.01 0.00 0.01 0.00 0.00 72.50 68.16 1stu s THR 34 CO 0.05 -0.49 1.12 0.00 -0.69 0.00 0.00 174.62 174.61 1stu s ALA 35 N 3.06 3.55 -0.23 7.40 0.00 -0.03 0.24 121.76 135.75 1stu s ALA 35 Ca 0.29 0.10 -0.01 0.00 0.00 0.00 0.00 51.96 52.34 1stu s ALA 35 Cb -0.13 -3.65 0.02 0.00 0.00 0.00 0.00 23.12 19.37 1stu s ALA 35 CO 0.18 -1.36 -0.09 0.00 0.00 0.00 0.00 175.76 174.49 1stu s ILE 37 N 1.32 4.71 0.04 0.00 -1.16 -0.53 -0.63 121.20 124.96 1stu s ILE 37 Ca 0.01 1.97 0.05 0.00 -0.51 0.00 0.00 60.65 62.17 1stu s ILE 37 Cb -0.16 -4.26 -0.04 0.00 0.61 0.00 0.00 42.46 38.61 1stu s ILE 37 CO -0.06 0.17 -0.10 0.68 -2.81 0.00 0.00 174.94 172.81 1stu s VAL 38 N 0.93 3.36 -0.79 4.00 -7.23 -0.46 -1.95 120.40 118.25 1stu s VAL 38 Ca 0.53 -1.02 -0.19 0.00 -1.81 0.00 0.00 61.98 59.48 1stu s VAL 38 Cb -0.22 -2.48 -0.18 0.00 0.56 0.00 0.00 36.38 34.05 1stu s VAL 38 CO 0.28 0.30 2.03 0.61 -0.31 0.00 0.00 175.10 178.01 1stu n GLY 39 N 1.30 -0.29 0.00 2.32 0.00 -1.17 -1.31 105.19 106.03 1stu n GLY 39 Ca -0.15 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 14.55 0.00 -2.59 1.61 7.64 -1.26 -4.72 113.62 128.84 1stu n SER 40 Ca 0.40 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 60.27 1stu n SER 40 Cb 0.41 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.62 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 -3.19 0.44 -6.64 -0.42 -5.15 119.36 104.39 1stu n ILE 41 Ca 0.00 -0.34 -0.30 0.00 -1.77 0.00 0.00 62.75 60.34 1stu n ILE 41 Cb 0.00 0.50 -0.04 0.00 -1.44 0.00 0.00 39.64 38.66 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 -2.20 4.92 -0.34 7.28 1.01 -1.26 -1.36 120.40 128.45 1stu s VAL 42 Ca 0.16 0.34 0.02 0.00 0.00 0.00 0.00 61.98 62.51 1stu s VAL 42 Cb -0.02 -3.71 0.15 0.00 0.00 0.00 0.00 36.38 32.81 1stu s VAL 42 CO 0.03 -0.34 0.37 -0.89 0.00 0.00 0.00 175.10 174.27 1stu s THR 43 N -2.13 -0.43 0.28 3.92 2.01 0.20 -4.85 115.64 114.64 1stu s THR 43 Ca 0.47 -0.69 -0.05 0.00 0.31 0.00 0.00 61.69 61.74 1stu s THR 43 Cb -0.11 -0.79 0.06 0.00 0.01 0.00 0.00 72.50 71.68 1stu s THR 43 CO 0.28 -0.48 0.37 -1.84 -0.69 0.00 0.00 174.62 172.27 1stu n GLU 44 N 4.74 -0.40 -3.50 4.92 0.00 -1.26 -1.32 120.64 123.81 1stu n GLU 44 Ca 0.06 -0.57 0.01 0.00 0.00 0.00 0.00 57.16 56.65 1stu n GLU 44 Cb 0.47 -0.39 -0.03 0.00 0.00 0.00 0.00 31.44 31.49 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 -3.79 -0.68 -1.03 -1.84 0.00 0.14 -4.72 107.32 95.40 1stu s GLY 45 Ca 0.21 2.38 -0.23 0.00 0.00 0.00 0.00 44.72 47.08 1stu s GLY 45 CO 0.15 3.18 1.58 -1.83 0.00 0.00 0.00 173.10 176.18 1stu s GLU 46 N 2.82 3.41 1.09 2.90 -1.05 -1.25 -1.27 118.70 125.35 1stu s GLU 46 Ca -0.00 -1.05 -0.18 0.00 -0.15 0.00 0.00 54.97 53.59 1stu s GLU 46 Cb -0.12 -5.32 0.25 0.00 -0.44 0.00 0.00 34.13 28.50 1stu s GLU 46 CO -0.19 -2.47 1.22 0.20 0.95 0.00 0.00 175.26 174.97 1stu s GLY 47 N 5.51 1.68 -0.42 -3.83 0.00 0.28 -4.66 107.32 105.88 1stu s GLY 47 Ca 0.52 -1.09 -0.01 0.00 0.00 0.00 0.00 44.72 44.14 1stu s GLY 47 CO -0.06 -0.26 0.19 0.54 0.00 0.00 0.00 173.10 173.51 1stu s ASN 48 N -4.40 5.08 0.00 1.64 4.22 -1.26 -1.37 114.94 118.85 1stu s ASN 48 Ca 0.73 -2.20 0.00 0.00 -2.14 0.00 0.00 52.86 49.25 1stu s ASN 48 Cb -0.06 -1.77 0.00 0.00 1.28 0.00 0.00 41.25 40.70 1stu s ASN 48 CO 0.55 -0.47 0.00 0.61 -2.04 0.00 0.00 177.10 175.75 1stu n GLY 49 N 4.32 3.63 0.11 0.45 0.00 0.20 -4.71 105.19 109.18 1stu n GLY 49 Ca 0.01 -1.81 -0.12 0.00 0.00 0.00 0.00 46.02 44.09 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 0.23 -1.02 1.61 3.64 -1.85 -2.95 116.57 116.23 1stu h LYS 50 Ca 0.00 -0.33 -0.43 0.00 -1.27 0.00 0.00 60.65 58.62 1stu h LYS 50 Cb 0.00 0.11 -0.25 0.00 -0.41 0.00 0.00 32.23 31.69 1stu h LYS 50 CO 0.00 1.11 0.55 1.17 -2.27 0.00 0.00 179.45 180.01 1stu n LYS 51 N -3.56 2.04 0.00 1.90 0.00 -1.26 -4.18 118.16 113.09 1stu n LYS 51 Ca -0.06 -2.43 0.00 0.00 0.00 0.00 0.00 58.31 55.82 1stu n LYS 51 Cb 0.93 -1.95 0.00 0.00 0.00 0.00 0.00 35.03 34.01 1stu n LYS 51 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 1stu n VAL 52 N -0.77 0.00 -0.22 3.15 3.14 -1.21 -4.81 118.33 117.60 1stu n VAL 52 Ca 0.48 0.00 0.21 0.00 -2.96 0.00 0.00 64.34 62.07 1stu n VAL 52 Cb 1.35 -0.10 0.37 0.00 -1.06 0.00 0.00 33.84 34.39 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 -1.60 0.19 0.08 6.55 7.64 -1.12 0.19 113.62 125.55 1stu n SER 53 Ca 0.00 0.96 -0.12 0.00 1.01 0.00 0.00 58.87 60.71 1stu n SER 53 Cb 0.09 -0.47 -0.08 0.00 -1.01 0.00 0.00 64.21 62.74 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 -0.23 0.58 1.43 1.57 -1.88 -0.84 116.57 117.21 1stu h LYS 54 Ca 0.52 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.30 1stu h LYS 54 Cb 1.46 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.81 1stu h LYS 54 CO -0.41 0.17 -0.47 -0.22 -0.57 0.00 0.00 179.45 177.94 1stu h LYS 55 N -0.71 -0.99 -0.81 3.15 3.64 0.17 -1.48 116.57 119.54 1stu h LYS 55 Ca -0.02 0.07 0.14 0.00 -1.27 0.00 0.00 60.65 59.56 1stu h LYS 55 Cb 0.50 0.23 -0.09 0.00 -0.41 0.00 0.00 32.23 32.45 1stu h LYS 55 CO 0.04 -0.66 0.41 0.00 -2.27 0.00 0.00 179.45 176.96 1stu h ARG 56 N -1.03 0.58 -0.08 1.90 -0.00 -1.21 -0.87 114.38 113.67 1stu h ARG 56 Ca -0.07 -0.03 0.03 0.00 -0.50 0.00 0.00 59.98 59.41 1stu h ARG 56 Cb 0.87 -0.13 -0.04 0.00 0.00 0.00 0.00 29.97 30.67 1stu h ARG 56 CO 0.00 0.38 -0.15 0.00 0.00 0.00 0.00 179.97 180.21 1stu h ALA 57 N 1.54 -0.11 -0.24 0.04 0.00 -0.68 -0.68 119.26 119.13 1stu h ALA 57 Ca 0.44 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.43 1stu h ALA 57 Cb 0.60 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 1stu h ALA 57 CO -0.35 -0.62 -0.06 0.00 0.00 0.00 0.00 179.25 178.22 1stu h ALA 58 N 0.80 0.16 -0.87 0.00 0.00 -0.15 0.16 119.26 119.36 1stu h ALA 58 Ca 0.08 0.09 0.14 0.00 0.00 0.00 0.00 54.91 55.22 1stu h ALA 58 Cb 0.32 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 1stu h ALA 58 CO -0.20 -0.47 0.56 0.93 0.00 0.00 0.00 179.25 180.07 1stu h GLU 59 N -0.00 0.65 -0.49 0.00 5.08 -0.80 0.56 114.58 119.59 1stu h GLU 59 Ca 0.12 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1stu h GLU 59 Cb 0.18 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1stu h GLU 59 CO -0.25 0.43 0.09 -0.22 -1.00 0.00 0.00 179.01 178.06 1stu h LYS 60 N 0.67 0.76 0.03 2.33 1.63 0.76 -0.19 116.57 122.56 1stu h LYS 60 Ca 0.43 -0.16 -0.00 0.00 -0.85 0.00 0.00 60.65 60.07 1stu h LYS 60 Cb 0.69 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 1stu h LYS 60 CO -0.19 0.71 -0.01 0.52 -3.45 0.00 0.00 179.45 177.03 1stu h MET 61 N 0.73 -0.04 -0.97 1.90 2.86 0.20 0.19 114.93 119.80 1stu h MET 61 Ca 0.16 0.00 0.19 0.00 -2.06 0.00 0.00 59.70 57.99 1stu h MET 61 Cb 0.31 0.01 -0.09 0.00 0.06 0.00 0.00 31.60 31.89 1stu h MET 61 CO 0.00 -0.03 0.61 -0.07 1.06 0.00 0.00 176.91 178.49 1stu h LEU 62 N -0.08 0.66 -0.63 1.22 3.38 -1.17 0.70 115.31 119.40 1stu h LEU 62 Ca -0.00 0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 1stu h LEU 62 Cb 0.03 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1stu h LEU 62 CO 0.01 0.26 -0.41 0.58 0.09 0.00 0.00 178.44 178.96 1stu h VAL 63 N 0.66 1.30 0.41 1.22 2.07 -1.11 -1.44 116.25 119.36 1stu h VAL 63 Ca 0.53 -1.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 1stu h VAL 63 Cb 0.97 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 1stu h VAL 63 CO -0.30 0.50 -0.29 -0.33 0.02 0.00 0.00 177.57 177.18 1stu h GLU 64 N 0.50 -0.66 -0.69 1.57 3.07 0.36 -0.33 114.58 118.40 1stu h GLU 64 Ca 0.04 0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 58.91 1stu h GLU 64 Cb 0.93 0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 28.95 1stu h GLU 64 CO 0.08 -0.44 0.28 1.37 -1.40 0.00 0.00 179.01 178.91 1stu h LEU 65 N -0.68 0.93 -0.99 1.33 -0.00 -1.18 -0.75 115.31 113.97 1stu h LEU 65 Ca -0.04 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.71 1stu h LEU 65 Cb 0.58 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 41.00 1stu h LEU 65 CO 0.02 0.83 0.00 0.00 -0.00 0.00 0.00 178.44 179.29 1stu n GLN 66 N -4.30 0.17 -0.10 0.17 6.02 -0.55 -3.18 117.38 115.62 1stu n GLN 66 Ca 0.06 0.51 -0.15 0.00 -0.01 0.00 0.00 57.00 57.41 1stu n GLN 66 Cb 0.17 -1.91 -0.07 0.00 1.02 0.00 0.00 30.24 29.46 1stu n GLN 66 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1stu n LYS 67 N -2.25 0.53 0.00 -1.09 5.02 -0.17 -5.06 118.16 115.13 1stu n LYS 67 Ca 0.01 0.45 0.05 0.00 -2.02 0.00 0.00 58.31 56.80 1stu n LYS 67 Cb 0.15 -1.63 0.32 0.00 -0.02 0.00 0.00 35.03 33.84 1stu n LYS 67 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16