#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x0o s ALA 2 N 0.00 3.26 0.00 4.61 0.00 -1.26 -4.53 121.76 123.84 1x0o s ALA 2 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1x0o s ALA 2 Cb 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 23.12 21.83 1x0o s ALA 2 CO 0.00 0.65 0.00 -0.12 0.00 0.00 0.00 175.76 176.29 1x0o n MET 3 N 1.25 0.00 -2.49 0.00 1.56 -1.26 -4.95 117.12 111.24 1x0o n MET 3 Ca -0.14 0.00 -0.40 0.00 -0.27 0.00 0.00 57.70 56.89 1x0o n MET 3 Cb 0.52 -2.03 -0.04 0.00 2.15 0.00 0.00 33.22 33.82 1x0o n MET 3 CO 0.00 0.00 0.00 0.16 -0.73 0.00 0.00 175.97 175.40 1x0o s ASP 4 N -1.33 7.24 0.00 6.12 1.47 -1.26 -5.01 116.67 123.89 1x0o s ASP 4 Ca 0.00 2.25 0.00 0.00 1.18 0.00 0.00 52.55 55.98 1x0o s ASP 4 Cb 0.00 -2.62 0.00 0.00 -0.34 0.00 0.00 42.92 39.96 1x0o s ASP 4 CO 0.00 -0.16 0.00 -0.46 0.68 0.00 0.00 175.17 175.23 1x0o n ASN 5 N 1.10 0.00 -3.65 2.11 0.23 -1.26 -4.87 115.26 108.92 1x0o n ASN 5 Ca -0.01 0.00 0.01 0.00 -0.53 0.00 0.00 54.58 54.05 1x0o n ASN 5 Cb 0.45 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.09 1x0o n ASN 5 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1x0o s VAL 6 N -1.67 0.00 -0.77 3.53 0.11 -1.26 -5.06 120.40 115.28 1x0o s VAL 6 Ca 0.00 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1x0o s VAL 6 Cb 0.00 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1x0o s VAL 6 CO 0.00 0.00 0.68 0.00 -3.33 0.00 0.00 175.10 172.45 1x0o s GLN 8 N -3.53 1.62 0.92 0.00 -1.52 -1.26 -5.13 119.66 110.76 1x0o s GLN 8 Ca 0.01 -1.25 -0.10 0.00 -1.95 0.00 0.00 55.36 52.07 1x0o s GLN 8 Cb -0.00 -2.01 0.15 0.00 -0.22 0.00 0.00 33.01 30.92 1x0o s GLN 8 CO 0.79 0.47 1.15 -2.14 -0.25 0.00 0.00 175.29 175.30 1x0o s PRO 9 N -2.04 0.99 -0.06 2.91 0.02 -1.26 -4.77 135.00 130.79 1x0o s PRO 9 Ca 0.16 1.54 0.05 0.00 0.02 0.00 0.00 61.00 62.77 1x0o s PRO 9 Cb -0.10 -1.72 0.24 0.00 0.02 0.00 0.00 34.50 32.93 1x0o s PRO 9 CO 0.08 -2.65 0.95 0.25 -0.33 0.00 0.00 177.00 175.30 1x0o n THR 10 N -4.25 0.72 -4.91 0.99 -2.24 -1.26 -4.27 114.28 99.07 1x0o n THR 10 Ca 0.12 -0.40 -0.27 0.00 -2.27 0.00 0.00 64.05 61.22 1x0o n THR 10 Cb 0.52 -0.29 -0.16 0.00 -2.10 0.00 0.00 70.33 68.29 1x0o n THR 10 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1x0o s GLU 11 N -1.58 2.07 0.11 -0.78 2.02 -1.26 -2.84 118.70 116.44 1x0o s GLU 11 Ca 0.16 -0.65 0.04 0.00 0.02 0.00 0.00 54.97 54.55 1x0o s GLU 11 Cb 0.12 -1.72 -0.04 0.00 0.10 0.00 0.00 34.13 32.59 1x0o s GLU 11 CO 0.06 0.21 -0.12 -0.59 0.02 0.00 0.00 175.26 174.85 1x0o s PHE 12 N 0.17 1.18 -0.28 1.61 -0.71 -0.95 -4.82 117.98 114.19 1x0o s PHE 12 Ca -0.08 -0.61 -0.11 0.00 -1.04 0.00 0.00 56.93 55.08 1x0o s PHE 12 Cb -0.14 -0.63 -0.05 0.00 -1.21 0.00 0.00 43.02 40.99 1x0o s PHE 12 CO 0.04 0.05 0.21 0.42 -1.34 0.00 0.00 175.22 174.60 1x0o s ILE 13 N -2.31 5.29 -0.32 -4.49 1.01 -1.26 -0.52 121.20 118.60 1x0o s ILE 13 Ca 0.06 0.22 -0.09 0.00 0.00 0.00 0.00 60.65 60.85 1x0o s ILE 13 Cb -0.04 -3.55 0.01 0.00 0.01 0.00 0.00 42.46 38.89 1x0o s ILE 13 CO 0.01 0.24 0.14 -0.94 0.00 0.00 0.00 174.94 174.39 1x0o s SER 14 N 1.73 5.43 -0.51 3.58 1.04 0.96 -2.34 113.70 123.59 1x0o s SER 14 Ca 0.08 -0.75 -0.17 0.00 0.48 0.00 0.00 55.95 55.59 1x0o s SER 14 Cb -0.16 -1.95 0.08 0.00 0.10 0.00 0.00 66.02 64.09 1x0o s SER 14 CO 0.11 -0.25 0.54 -0.60 0.98 0.00 0.00 173.24 174.02 1x0o s ARG 15 N 1.54 3.04 0.08 4.02 3.52 0.45 -1.45 118.95 130.16 1x0o s ARG 15 Ca 0.03 -1.21 0.02 0.00 -0.13 0.00 0.00 55.73 54.43 1x0o s ARG 15 Cb -0.18 -4.16 -0.04 0.00 -1.56 0.00 0.00 34.95 29.02 1x0o s ARG 15 CO 0.05 -1.21 -0.07 -3.38 -0.81 0.00 0.00 175.30 169.87 1x0o s HIS 16 N 2.17 0.82 0.52 5.12 -3.43 -0.58 -1.27 115.29 118.64 1x0o s HIS 16 Ca 0.09 -0.78 -0.07 0.00 -0.80 0.00 0.00 55.06 53.50 1x0o s HIS 16 Cb -0.23 -0.48 -0.04 0.00 -1.43 0.00 0.00 32.58 30.40 1x0o s HIS 16 CO 0.08 -0.13 0.85 1.21 -2.00 0.00 0.00 174.74 174.76 1x0o s ASN 17 N -2.56 6.25 0.38 7.38 2.47 0.76 -0.24 114.94 129.37 1x0o s ASN 17 Ca 0.05 1.06 0.23 0.00 0.42 0.00 0.00 52.86 54.61 1x0o s ASN 17 Cb 0.00 -2.30 1.23 0.00 -1.45 0.00 0.00 41.25 38.73 1x0o s ASN 17 CO -0.03 -0.66 1.67 0.16 -3.72 0.00 0.00 177.10 174.51 1x0o h ILE 18 N 0.07 0.00 -0.00 -5.21 3.07 -1.89 0.74 117.51 114.28 1x0o h ILE 18 Ca -0.46 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.95 1x0o h ILE 18 Cb 1.20 0.50 0.00 0.00 -0.27 0.00 0.00 36.82 38.25 1x0o h ILE 18 CO 0.62 0.00 -0.04 -0.62 -1.05 0.00 0.00 178.15 177.06 1x0o n GLU 19 N -2.33 0.96 -0.34 0.16 1.02 -1.26 -4.86 120.64 113.98 1x0o n GLU 19 Ca -0.02 -0.26 0.00 0.00 -0.02 0.00 0.00 57.16 56.87 1x0o n GLU 19 Cb 0.13 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 1x0o n GLU 19 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x0o n GLY 20 N 1.16 0.83 3.64 0.62 0.00 0.25 -4.75 105.19 106.93 1x0o n GLY 20 Ca 0.19 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1x0o n GLY 20 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x0o s ILE 21 N -2.00 4.67 -0.34 -0.61 -1.09 -1.00 -1.35 121.20 119.48 1x0o s ILE 21 Ca 0.00 1.60 -0.29 0.00 -2.23 0.00 0.00 60.65 59.73 1x0o s ILE 21 Cb 0.00 -4.28 0.00 0.00 -1.58 0.00 0.00 42.46 36.61 1x0o s ILE 21 CO 0.00 -0.31 1.34 -0.36 -1.23 0.00 0.00 174.94 174.38 1x0o s PHE 22 N 3.26 2.59 -0.18 3.97 0.08 -0.93 -0.17 117.98 126.60 1x0o s PHE 22 Ca 0.40 0.80 0.12 0.00 0.12 0.00 0.00 56.93 58.37 1x0o s PHE 22 Cb -0.14 -4.05 -0.23 0.00 -0.57 0.00 0.00 43.02 38.04 1x0o s PHE 22 CO 0.12 -1.81 0.13 0.25 -0.10 0.00 0.00 175.22 173.81 1x0o n THR 23 N 6.49 1.47 -3.72 0.64 -2.24 -0.70 -2.00 114.28 114.23 1x0o n THR 23 Ca 0.15 -0.78 -0.18 0.00 -2.27 0.00 0.00 64.05 60.98 1x0o n THR 23 Cb 0.47 -0.84 -0.17 0.00 -2.10 0.00 0.00 70.33 67.69 1x0o n THR 23 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1x0o s PHE 24 N -2.52 0.08 -0.06 4.78 5.36 -0.40 -4.98 117.98 120.24 1x0o s PHE 24 Ca -0.15 0.18 0.04 0.00 -0.96 0.00 0.00 56.93 56.05 1x0o s PHE 24 Cb 0.07 -0.39 -0.00 0.00 -0.34 0.00 0.00 43.02 42.36 1x0o s PHE 24 CO 0.78 -0.15 -0.18 0.08 -1.46 0.00 0.00 175.22 174.28 1x0o s VAL 25 N 1.68 1.54 0.45 3.12 1.01 -1.26 -0.41 120.40 126.54 1x0o s VAL 25 Ca -0.01 -0.76 -0.22 0.00 0.00 0.00 0.00 61.98 60.99 1x0o s VAL 25 Cb -0.12 -1.34 -0.08 0.00 0.00 0.00 0.00 36.38 34.84 1x0o s VAL 25 CO -0.03 0.44 1.08 -0.62 0.00 0.00 0.00 175.10 175.97 1x0o s ASP 26 N 0.18 6.40 0.50 3.32 -1.08 -0.99 -4.78 116.67 120.22 1x0o s ASP 26 Ca -0.08 2.07 0.34 0.00 -0.52 0.00 0.00 52.55 54.35 1x0o s ASP 26 Cb -0.14 -2.58 1.81 0.00 -1.46 0.00 0.00 42.92 40.56 1x0o s ASP 26 CO 0.04 -0.74 2.03 0.45 0.52 0.00 0.00 175.17 177.46 1x0o h HIS 27 N 1.98 0.00 0.00 -5.34 3.86 -1.92 -1.42 115.15 112.31 1x0o h HIS 27 Ca -0.49 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.72 1x0o h HIS 27 Cb 1.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.70 1x0o h HIS 27 CO 0.56 0.00 0.00 0.54 0.86 0.00 0.00 177.93 179.89 1x0o n ARG 28 N -2.68 0.11 -0.10 2.45 1.74 -1.26 -2.61 116.66 114.31 1x0o n ARG 28 Ca -0.02 0.22 0.08 0.00 -0.77 0.00 0.00 57.85 57.36 1x0o n ARG 28 Cb 0.06 -1.50 0.43 0.00 -1.02 0.00 0.00 32.46 30.43 1x0o n ARG 28 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x0o h VAL 30 N 0.56 1.25 0.01 0.00 -1.51 -1.04 -1.97 116.25 113.55 1x0o h VAL 30 Ca 0.26 -1.16 -0.00 0.00 -1.23 0.00 0.00 66.70 64.57 1x0o h VAL 30 Cb 0.32 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 30.71 1x0o h VAL 30 CO -0.08 0.38 -0.00 0.00 -1.23 0.00 0.00 177.57 176.64 1x0o h ALA 31 N 1.33 -0.01 -0.50 5.19 0.00 -1.48 0.22 119.26 124.01 1x0o h ALA 31 Ca 0.08 -0.41 0.08 0.00 0.00 0.00 0.00 54.91 54.66 1x0o h ALA 31 Cb 0.60 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 1x0o h ALA 31 CO 0.04 -0.03 0.12 1.15 0.00 0.00 0.00 179.25 180.53 1x0o h THR 32 N -0.96 0.74 0.00 0.00 2.02 -1.29 -3.40 112.91 110.02 1x0o h THR 32 Ca -0.00 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1x0o h THR 32 Cb 0.83 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1x0o h THR 32 CO 0.00 0.05 -0.44 1.33 0.37 0.00 0.00 175.52 176.83 1x0o n VAL 33 N -5.09 0.00 0.00 3.16 0.24 -0.80 -4.97 118.33 110.86 1x0o n VAL 33 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 1x0o n VAL 33 Cb 0.24 -0.35 0.00 0.00 -1.47 0.00 0.00 33.84 32.26 1x0o n VAL 33 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1x0o n GLY 34 N 1.92 1.55 3.75 7.63 0.00 0.07 0.21 105.19 120.31 1x0o n GLY 34 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1x0o n GLY 34 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x0o s TYR 35 N -1.88 3.86 0.45 1.61 2.02 -1.22 -4.70 117.35 117.49 1x0o s TYR 35 Ca 0.00 1.69 -0.13 0.00 -0.37 0.00 0.00 57.07 58.26 1x0o s TYR 35 Cb 0.00 -2.89 -0.07 0.00 -0.40 0.00 0.00 41.96 38.60 1x0o s TYR 35 CO 0.00 0.37 0.86 -0.65 -1.57 0.00 0.00 175.55 174.55 1x0o s GLN 36 N -0.59 3.84 0.20 -0.62 -1.52 -1.26 -1.60 119.66 118.11 1x0o s GLN 36 Ca 0.40 0.65 -0.16 0.00 -1.95 0.00 0.00 55.36 54.31 1x0o s GLN 36 Cb -0.23 -2.29 0.20 0.00 -0.22 0.00 0.00 33.01 30.47 1x0o s GLN 36 CO 0.27 -0.14 1.61 -1.35 -0.25 0.00 0.00 175.29 175.44 1x0o h PRO 37 N 1.08 -0.07 -0.53 2.91 0.11 -1.86 -0.16 132.00 133.49 1x0o h PRO 37 Ca -0.47 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 1x0o h PRO 37 Cb 1.19 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1x0o h PRO 37 CO 0.63 -0.04 0.05 1.96 -0.21 0.00 0.00 178.00 180.39 1x0o h GLN 38 N -0.07 0.85 0.00 1.05 1.08 -1.93 -2.38 115.11 113.72 1x0o h GLN 38 Ca 0.28 -0.21 -0.05 0.00 -1.45 0.00 0.00 58.65 57.21 1x0o h GLN 38 Cb 0.50 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.81 1x0o h GLN 38 CO -0.65 0.82 -0.26 0.93 -0.95 0.00 0.00 178.83 178.72 1x0o h GLU 39 N 0.80 0.00 0.00 1.46 4.39 -1.42 -2.15 114.58 117.67 1x0o h GLU 39 Ca 0.16 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.68 1x0o h GLU 39 Cb 0.41 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.03 1x0o h GLU 39 CO 0.01 0.26 -1.20 1.25 -1.16 0.00 0.00 179.01 178.16 1x0o h LEU 40 N 0.00 0.00 -9.19 1.33 5.85 -1.00 -3.44 115.31 108.85 1x0o h LEU 40 Ca -0.00 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 58.16 1x0o h LEU 40 Cb 0.60 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1x0o h LEU 40 CO 0.03 0.72 1.28 -0.76 -0.34 0.00 0.00 178.44 179.37 1x0o s LEU 41 N -6.15 4.06 0.00 2.25 1.43 -0.81 -1.49 118.68 117.96 1x0o s LEU 41 Ca -0.01 2.24 0.00 0.00 -1.03 0.00 0.00 54.13 55.33 1x0o s LEU 41 Cb 0.08 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.78 1x0o s LEU 41 CO 0.80 -1.34 0.00 0.61 0.23 0.00 0.00 176.35 176.66 1x0o n GLY 42 N 4.87 0.60 3.87 -3.19 0.00 -0.84 -4.99 105.19 105.51 1x0o n GLY 42 Ca 0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 1x0o n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x0o s LYS 43 N -0.63 3.15 0.15 1.61 -0.14 -0.56 -4.89 119.74 118.44 1x0o s LYS 43 Ca 0.00 -0.78 -0.15 0.00 -1.36 0.00 0.00 55.97 53.67 1x0o s LYS 43 Cb 0.00 -2.77 -0.07 0.00 -1.68 0.00 0.00 37.83 33.30 1x0o s LYS 43 CO 0.00 0.48 0.57 -0.80 -0.76 0.00 0.00 175.35 174.84 1x0o s ASN 44 N -3.33 6.87 0.63 2.83 -0.87 -1.26 -2.19 114.94 117.62 1x0o s ASN 44 Ca 0.33 1.13 0.41 0.00 -1.57 0.00 0.00 52.86 53.15 1x0o s ASN 44 Cb -0.10 -2.31 2.10 0.00 -0.02 0.00 0.00 41.25 40.92 1x0o s ASN 44 CO 0.26 0.11 2.26 -0.29 -2.57 0.00 0.00 177.10 176.87 1x0o h ILE 45 N 2.85 0.05 0.00 0.60 2.10 -1.51 -1.67 117.51 119.94 1x0o h ILE 45 Ca -0.49 -0.16 -0.16 0.00 1.08 0.00 0.00 64.86 65.13 1x0o h ILE 45 Cb 1.19 1.15 -0.02 0.00 -1.09 0.00 0.00 36.82 38.05 1x0o h ILE 45 CO 0.65 0.01 -0.78 0.58 -1.08 0.00 0.00 178.15 177.53 1x0o h VAL 46 N 0.00 1.49 -0.10 2.19 2.07 -1.89 -1.75 116.25 118.26 1x0o h VAL 46 Ca -0.00 -2.73 -0.03 0.00 0.82 0.00 0.00 66.70 64.76 1x0o h VAL 46 Cb 0.15 2.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 1x0o h VAL 46 CO 0.00 0.76 -0.08 -0.33 0.02 0.00 0.00 177.57 177.94 1x0o h GLU 47 N 0.00 0.14 -0.34 1.57 4.39 -1.70 -1.19 114.58 117.46 1x0o h GLU 47 Ca -0.01 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 1x0o h GLU 47 Cb 1.44 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 30.04 1x0o h GLU 47 CO 0.10 0.24 0.02 1.19 -1.16 0.00 0.00 179.01 179.39 1x0o n PHE 48 N -4.36 1.21 -3.72 4.33 3.72 -1.14 -4.94 117.46 112.56 1x0o n PHE 48 Ca -0.01 -0.96 -0.36 0.00 -0.05 0.00 0.00 57.45 56.07 1x0o n PHE 48 Cb 0.20 -0.39 -0.07 0.00 -0.94 0.00 0.00 39.48 38.28 1x0o n PHE 48 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x0o n HIS 50 N 3.25 1.76 0.13 0.00 -0.00 -0.49 -4.79 115.22 115.08 1x0o n HIS 50 Ca -0.16 0.78 0.19 0.00 0.46 0.00 0.00 57.72 58.99 1x0o n HIS 50 Cb 0.52 -2.34 0.72 0.00 -0.12 0.00 0.00 29.99 28.78 1x0o n HIS 50 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1x0o h PRO 51 N 5.80 0.00 -0.01 1.57 0.11 -1.91 0.70 132.00 138.26 1x0o h PRO 51 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1x0o h PRO 51 Cb 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1x0o h PRO 51 CO 0.91 0.00 -0.35 0.39 -0.21 0.00 0.00 178.00 178.74 1x0o n GLU 52 N -3.47 0.95 -0.06 1.05 1.02 -1.26 -3.95 120.64 114.92 1x0o n GLU 52 Ca 0.06 -0.66 0.05 0.00 -0.02 0.00 0.00 57.16 56.59 1x0o n GLU 52 Cb 0.64 -1.49 0.07 0.00 -0.02 0.00 0.00 31.44 30.64 1x0o n GLU 52 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1x0o n ASP 53 N -0.45 2.15 -0.13 1.62 9.92 0.24 -4.65 116.55 125.25 1x0o n ASP 53 Ca 0.11 -1.62 -0.11 0.00 -0.53 0.00 0.00 54.79 52.64 1x0o n ASP 53 Cb 0.39 -0.07 -0.02 0.00 -0.64 0.00 0.00 41.12 40.78 1x0o n ASP 53 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 1x0o h GLN 54 N 1.77 0.72 0.00 -1.24 4.20 -1.61 -0.12 115.11 118.84 1x0o h GLN 54 Ca 0.00 -0.26 -0.13 0.00 0.06 0.00 0.00 58.65 58.32 1x0o h GLN 54 Cb 0.50 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 1x0o h GLN 54 CO 0.00 0.85 -0.60 0.37 -0.67 0.00 0.00 178.83 178.78 1x0o h GLN 55 N 0.53 0.00 -0.24 1.46 5.75 -1.86 0.22 115.11 120.97 1x0o h GLN 55 Ca 0.10 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.61 1x0o h GLN 55 Cb 0.56 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.09 1x0o h GLN 55 CO 0.03 0.60 0.13 1.25 -2.65 0.00 0.00 178.83 178.19 1x0o h LEU 56 N 0.00 0.20 -0.12 -2.39 5.85 -1.70 0.20 115.31 117.35 1x0o h LEU 56 Ca -0.01 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1x0o h LEU 56 Cb 1.06 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 1x0o h LEU 56 CO 0.08 0.15 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.25 1x0o h LEU 57 N 0.27 0.22 0.05 2.25 3.38 -0.84 -2.58 115.31 118.05 1x0o h LEU 57 Ca 0.10 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.78 1x0o h LEU 57 Cb 0.01 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 1x0o h LEU 57 CO -0.06 0.48 -0.33 -0.09 0.09 0.00 0.00 178.44 178.54 1x0o h ARG 58 N -0.05 -0.49 -0.46 1.13 2.43 -0.25 0.34 114.38 117.03 1x0o h ARG 58 Ca 0.03 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.29 1x0o h ARG 58 Cb 0.37 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.98 1x0o h ARG 58 CO 0.01 -0.33 0.18 0.22 -1.51 0.00 0.00 179.97 178.54 1x0o h ASP 59 N -0.51 0.21 0.31 -3.80 3.58 -0.70 -1.11 116.42 114.41 1x0o h ASP 59 Ca 0.05 0.05 -0.11 0.00 0.42 0.00 0.00 57.03 57.44 1x0o h ASP 59 Cb 0.57 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 1x0o h ASP 59 CO -0.24 0.16 -0.44 0.28 -2.88 0.00 0.00 179.24 176.12 1x0o h SER 60 N 0.37 0.17 0.26 2.28 0.02 -0.95 0.22 113.55 115.91 1x0o h SER 60 Ca 0.21 -0.07 -0.14 0.00 -0.84 0.00 0.00 61.79 60.95 1x0o h SER 60 Cb 0.19 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1x0o h SER 60 CO -0.20 0.59 -0.53 -0.26 -1.14 0.00 0.00 176.83 175.29 1x0o h PHE 61 N 0.13 0.37 -0.41 3.45 0.04 0.05 -0.70 116.94 119.87 1x0o h PHE 61 Ca 0.01 -0.13 -0.15 0.00 2.80 0.00 0.00 57.97 60.50 1x0o h PHE 61 Cb 0.83 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.90 1x0o h PHE 61 CO 0.01 0.77 -0.32 1.96 -0.60 0.00 0.00 178.31 180.12 1x0o h GLN 62 N 0.23 0.94 -0.26 1.51 1.08 -0.26 -2.21 115.11 116.14 1x0o h GLN 62 Ca 0.01 -0.46 0.02 0.00 -1.45 0.00 0.00 58.65 56.77 1x0o h GLN 62 Cb 1.01 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.42 1x0o h GLN 62 CO 0.09 1.12 0.13 1.96 -0.95 0.00 0.00 178.83 181.17 1x0o h GLN 63 N 0.78 0.26 0.00 1.46 1.08 -0.26 -2.04 115.11 116.40 1x0o h GLN 63 Ca 0.08 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 1x0o h GLN 63 Cb 0.91 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 28.28 1x0o h GLN 63 CO 0.08 0.17 -0.03 -0.24 -0.95 0.00 0.00 178.83 177.86 1x0o h VAL 64 N 0.27 0.09 0.00 -0.54 3.04 -1.07 0.69 116.25 118.73 1x0o h VAL 64 Ca 0.11 -0.65 -0.07 0.00 -1.01 0.00 0.00 66.70 65.07 1x0o h VAL 64 Cb 0.03 1.60 -0.01 0.00 -2.01 0.00 0.00 31.29 30.90 1x0o h VAL 64 CO -0.08 0.03 -0.36 0.58 -1.01 0.00 0.00 177.57 176.74 1x0o h VAL 65 N 0.00 0.88 0.00 1.51 2.07 -0.80 -0.70 116.25 119.21 1x0o h VAL 65 Ca -0.00 -1.44 -0.07 0.00 0.82 0.00 0.00 66.70 66.00 1x0o h VAL 65 Cb 0.59 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 1x0o h VAL 65 CO 0.00 0.35 -0.63 0.11 0.02 0.00 0.00 177.57 177.43 1x0o h LYS 66 N 0.00 0.00 -0.35 1.57 1.57 -0.33 -3.39 116.57 115.63 1x0o h LYS 66 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1x0o h LYS 66 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1x0o h LYS 66 CO 0.05 0.41 0.00 1.47 -0.57 0.00 0.00 179.45 180.80 1x0o n LEU 67 N -4.58 2.02 -4.44 2.94 -0.00 0.22 -4.93 117.00 108.22 1x0o n LEU 67 Ca -0.14 -0.99 -0.47 0.00 -0.00 0.00 0.00 56.01 54.41 1x0o n LEU 67 Cb 0.38 -0.24 -0.02 0.00 -0.00 0.00 0.00 43.42 43.54 1x0o n LEU 67 CO 0.14 0.49 0.11 2.29 -0.00 0.00 0.00 177.39 180.42 1x0o n LYS 68 N 0.59 0.33 0.00 1.47 -0.00 -0.27 -1.37 118.16 118.91 1x0o n LYS 68 Ca 0.13 0.12 0.00 0.00 -0.00 0.00 0.00 58.31 58.56 1x0o n LYS 68 Cb 0.33 -1.21 0.00 0.00 -0.00 0.00 0.00 35.03 34.15 1x0o n LYS 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1x0o n GLY 69 N 1.82 2.07 3.72 2.58 0.00 -1.26 -5.02 105.19 109.10 1x0o n GLY 69 Ca 0.16 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 1x0o n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1x0o s GLN 70 N 0.00 3.09 -0.10 1.61 0.74 -0.47 -5.08 119.66 119.44 1x0o s GLN 70 Ca 0.00 -0.35 -0.30 0.00 0.05 0.00 0.00 55.36 54.76 1x0o s GLN 70 Cb 0.00 -2.88 -0.02 0.00 1.10 0.00 0.00 33.01 31.21 1x0o s GLN 70 CO 0.00 0.71 1.17 0.08 -0.55 0.00 0.00 175.29 176.70 1x0o s VAL 71 N -0.90 4.39 -0.30 1.34 1.01 -1.26 -4.87 120.40 119.81 1x0o s VAL 71 Ca 0.13 1.69 -0.10 0.00 0.00 0.00 0.00 61.98 63.71 1x0o s VAL 71 Cb -0.11 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 1x0o s VAL 71 CO 0.03 -0.04 0.15 -0.22 0.00 0.00 0.00 175.10 175.01 1x0o s LEU 72 N 2.51 4.02 -0.27 3.92 1.98 -1.07 -4.91 118.68 124.86 1x0o s LEU 72 Ca 0.53 -0.42 -0.11 0.00 -2.89 0.00 0.00 54.13 51.25 1x0o s LEU 72 Cb -0.22 -2.01 -0.05 0.00 0.66 0.00 0.00 46.19 44.57 1x0o s LEU 72 CO 0.18 -0.16 0.17 -0.44 -1.89 0.00 0.00 176.35 174.22 1x0o s SER 73 N 1.63 5.94 -0.04 3.68 0.01 -1.26 -0.42 113.70 123.25 1x0o s SER 73 Ca 0.05 -0.01 0.06 0.00 1.31 0.00 0.00 55.95 57.36 1x0o s SER 73 Cb -0.17 -2.10 -0.01 0.00 0.21 0.00 0.00 66.02 63.95 1x0o s SER 73 CO 0.07 -0.03 -0.23 0.54 0.41 0.00 0.00 173.24 174.00 1x0o s VAL 74 N 1.63 1.86 -0.13 3.43 0.11 0.01 -4.94 120.40 122.37 1x0o s VAL 74 Ca 0.07 -0.98 -0.02 0.00 -2.93 0.00 0.00 61.98 58.12 1x0o s VAL 74 Cb -0.16 -1.57 -0.03 0.00 -1.53 0.00 0.00 36.38 33.10 1x0o s VAL 74 CO 0.09 0.52 -0.05 -0.32 -3.33 0.00 0.00 175.10 172.02 1x0o s MET 75 N -0.29 3.41 0.37 1.54 1.75 -1.26 -0.23 119.30 124.60 1x0o s MET 75 Ca 0.02 -0.53 -0.16 0.00 -1.25 0.00 0.00 55.69 53.77 1x0o s MET 75 Cb -0.11 -2.82 0.05 0.00 2.84 0.00 0.00 34.83 34.79 1x0o s MET 75 CO 0.02 0.36 0.79 -0.59 -0.65 0.00 0.00 175.02 174.95 1x0o s PHE 76 N 0.02 0.10 -0.26 4.11 -0.71 -1.01 -4.92 117.98 115.30 1x0o s PHE 76 Ca 0.00 -0.76 -0.06 0.00 -1.04 0.00 0.00 56.93 55.07 1x0o s PHE 76 Cb -0.13 0.83 -0.01 0.00 -1.21 0.00 0.00 43.02 42.50 1x0o s PHE 76 CO 0.03 -1.54 0.05 1.03 -1.34 0.00 0.00 175.22 173.45 1x0o s ARG 77 N -2.41 3.38 0.12 1.99 0.52 -1.25 -1.27 118.95 120.02 1x0o s ARG 77 Ca 0.15 -0.65 -0.07 0.00 -0.52 0.00 0.00 55.73 54.64 1x0o s ARG 77 Cb -0.05 -3.28 -0.06 0.00 0.52 0.00 0.00 34.95 32.08 1x0o s ARG 77 CO 0.11 -0.29 0.39 0.12 0.02 0.00 0.00 175.30 175.65 1x0o s PHE 78 N 1.54 3.52 -0.57 -0.53 2.19 0.45 -1.40 117.98 123.18 1x0o s PHE 78 Ca 0.05 0.67 -0.26 0.00 0.33 0.00 0.00 56.93 57.71 1x0o s PHE 78 Cb -0.16 -2.08 0.04 0.00 -1.31 0.00 0.00 43.02 39.51 1x0o s PHE 78 CO 0.02 0.47 1.08 0.50 1.83 0.00 0.00 175.22 179.11 1x0o s ARG 79 N -2.33 3.41 0.96 10.12 3.52 0.14 -1.88 118.95 132.89 1x0o s ARG 79 Ca 0.38 -0.02 -0.11 0.00 -0.13 0.00 0.00 55.73 55.84 1x0o s ARG 79 Cb -0.13 -4.04 0.14 0.00 -1.56 0.00 0.00 34.95 29.37 1x0o s ARG 79 CO 0.21 -1.61 0.98 0.45 -0.81 0.00 0.00 175.30 174.52 1x0o n SER 80 N 8.01 -0.38 0.03 -2.12 2.88 0.93 -4.86 113.62 118.11 1x0o n SER 80 Ca 0.05 0.33 0.05 0.00 -1.33 0.00 0.00 58.87 57.97 1x0o n SER 80 Cb 0.48 -1.40 0.24 0.00 -0.75 0.00 0.00 64.21 62.78 1x0o n SER 80 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1x0o n LYS 81 N -3.84 0.03 -0.26 -1.46 3.00 0.13 -0.36 118.16 115.40 1x0o n LYS 81 Ca 0.10 0.40 0.11 0.00 -0.00 0.00 0.00 58.31 58.92 1x0o n LYS 81 Cb 0.53 -1.58 0.27 0.00 0.00 0.00 0.00 35.03 34.25 1x0o n LYS 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1x0o n ASN 82 N -1.65 3.35 -1.95 3.14 3.02 -1.26 -4.91 115.26 115.00 1x0o n ASN 82 Ca 0.02 -1.98 -0.15 0.00 -0.03 0.00 0.00 54.58 52.44 1x0o n ASN 82 Cb 0.10 -0.35 0.01 0.00 -0.61 0.00 0.00 39.78 38.93 1x0o n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x0o n GLN 83 N 1.36 -2.35 -3.88 3.52 3.00 0.51 -5.02 117.38 114.52 1x0o n GLN 83 Ca 0.21 0.68 -0.25 0.00 -0.01 0.00 0.00 57.00 57.63 1x0o n GLN 83 Cb 0.56 -5.00 -0.03 0.00 0.00 0.00 0.00 30.24 25.77 1x0o n GLN 83 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1x0o s GLU 84 N -5.05 3.46 -0.44 -1.09 2.02 -1.25 -4.88 118.70 111.47 1x0o s GLU 84 Ca 0.11 -0.58 0.04 0.00 0.02 0.00 0.00 54.97 54.56 1x0o s GLU 84 Cb -0.05 -2.91 0.12 0.00 0.10 0.00 0.00 34.13 31.39 1x0o s GLU 84 CO 0.14 0.46 0.17 -1.58 0.02 0.00 0.00 175.26 174.47 1x0o s TRP 85 N -1.85 3.45 0.39 1.61 0.52 -1.26 -0.05 118.94 121.76 1x0o s TRP 85 Ca 0.35 -3.08 0.08 0.00 0.02 0.00 0.00 56.10 53.47 1x0o s TRP 85 Cb -0.10 -2.89 0.00 0.00 -1.15 0.00 0.00 33.47 29.33 1x0o s TRP 85 CO 0.29 -0.84 0.53 -0.48 0.02 0.00 0.00 176.95 176.47 1x0o s LEU 86 N 0.25 3.73 -0.08 2.99 0.05 -0.79 -4.51 118.68 120.32 1x0o s LEU 86 Ca 0.14 -0.37 -0.20 0.00 0.05 0.00 0.00 54.13 53.75 1x0o s LEU 86 Cb -0.23 -2.66 -0.04 0.00 -2.05 0.00 0.00 46.19 41.22 1x0o s LEU 86 CO -0.04 -0.66 0.57 0.26 -0.55 0.00 0.00 176.35 175.94 1x0o s TRP 87 N -2.31 3.56 -0.01 3.48 0.52 -1.26 -0.41 118.94 122.51 1x0o s TRP 87 Ca 0.52 1.06 -0.01 0.00 0.02 0.00 0.00 56.10 57.69 1x0o s TRP 87 Cb -0.10 -2.65 0.00 0.00 -1.15 0.00 0.00 33.47 29.58 1x0o s TRP 87 CO 0.32 0.16 0.03 0.00 0.02 0.00 0.00 176.95 177.48 1x0o s MET 88 N 0.58 0.03 -0.35 4.98 0.23 -0.40 -1.54 119.30 122.83 1x0o s MET 88 Ca 0.31 0.04 -0.16 0.00 -1.03 0.00 0.00 55.69 54.85 1x0o s MET 88 Cb -0.16 -0.00 -0.01 0.00 -1.53 0.00 0.00 34.83 33.13 1x0o s MET 88 CO 0.14 -0.01 0.43 0.50 -2.03 0.00 0.00 175.02 174.05 1x0o s ARG 89 N 0.08 3.58 -0.22 3.16 3.52 0.71 -2.41 118.95 127.37 1x0o s ARG 89 Ca -0.01 -0.31 -0.14 0.00 -0.13 0.00 0.00 55.73 55.15 1x0o s ARG 89 Cb -0.01 -3.81 -0.04 0.00 -1.56 0.00 0.00 34.95 29.53 1x0o s ARG 89 CO -0.00 -0.58 0.31 0.99 -0.81 0.00 0.00 175.30 175.21 1x0o s THR 90 N 2.18 5.26 -0.25 4.11 2.01 0.68 -1.18 115.64 128.45 1x0o s THR 90 Ca 0.15 0.51 -0.13 0.00 0.31 0.00 0.00 61.69 62.52 1x0o s THR 90 Cb -0.16 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 1x0o s THR 90 CO 0.12 0.28 0.30 -0.44 -0.69 0.00 0.00 174.62 174.20 1x0o s SER 91 N 1.06 6.22 0.01 3.53 0.01 0.05 -0.81 113.70 123.77 1x0o s SER 91 Ca 0.15 0.24 0.04 0.00 1.31 0.00 0.00 55.95 57.69 1x0o s SER 91 Cb -0.14 -2.18 -0.03 0.00 0.21 0.00 0.00 66.02 63.88 1x0o s SER 91 CO 0.07 -0.09 -0.09 -0.44 0.41 0.00 0.00 173.24 173.10 1x0o s SER 92 N 1.42 4.48 -0.09 2.44 0.01 0.44 -1.43 113.70 120.98 1x0o s SER 92 Ca 0.13 -0.20 -0.06 0.00 1.31 0.00 0.00 55.95 57.13 1x0o s SER 92 Cb -0.15 -0.99 0.03 0.00 0.21 0.00 0.00 66.02 65.12 1x0o s SER 92 CO 0.09 0.28 0.21 0.12 0.41 0.00 0.00 173.24 174.34 1x0o s PHE 93 N -0.99 -0.26 -0.27 2.43 2.19 -1.01 -2.61 117.98 117.47 1x0o s PHE 93 Ca 0.17 0.63 -0.12 0.00 0.33 0.00 0.00 56.93 57.94 1x0o s PHE 93 Cb -0.11 0.04 -0.05 0.00 -1.31 0.00 0.00 43.02 41.60 1x0o s PHE 93 CO 0.07 -0.17 0.23 0.95 1.83 0.00 0.00 175.22 178.14 1x0o s THR 94 N 0.71 5.29 -0.59 0.12 -4.23 -1.26 -0.16 115.64 115.52 1x0o s THR 94 Ca -0.05 0.28 -0.28 0.00 -1.18 0.00 0.00 61.69 60.46 1x0o s THR 94 Cb -0.06 -3.57 0.02 0.00 1.34 0.00 0.00 72.50 70.23 1x0o s THR 94 CO -0.04 0.25 1.40 0.12 -0.54 0.00 0.00 174.62 175.81 1x0o s PHE 95 N 1.64 2.28 -0.08 3.99 2.19 0.64 -4.80 117.98 123.83 1x0o s PHE 95 Ca 0.09 0.40 -0.21 0.00 0.33 0.00 0.00 56.93 57.54 1x0o s PHE 95 Cb -0.15 -4.43 -0.04 0.00 -1.31 0.00 0.00 43.02 37.09 1x0o s PHE 95 CO 0.09 -1.97 0.61 -0.65 1.83 0.00 0.00 175.22 175.13 1x0o s GLN 96 N 5.57 4.40 -0.21 10.12 -0.21 -1.26 -0.84 119.66 137.23 1x0o s GLN 96 Ca 0.49 0.71 -0.29 0.00 0.02 0.00 0.00 55.36 56.29 1x0o s GLN 96 Cb -0.10 -3.44 -0.01 0.00 1.00 0.00 0.00 33.01 30.46 1x0o s GLN 96 CO 0.23 0.11 1.34 1.21 -2.12 0.00 0.00 175.29 176.06 1x0o s ASN 97 N 0.70 6.77 0.00 5.90 3.84 0.13 -4.89 114.94 127.40 1x0o s ASN 97 Ca 0.33 1.56 0.10 0.00 0.21 0.00 0.00 52.86 55.06 1x0o s ASN 97 Cb -0.17 -2.54 0.50 0.00 -0.55 0.00 0.00 41.25 38.49 1x0o s ASN 97 CO 0.15 -0.93 1.23 -0.81 -2.79 0.00 0.00 177.10 173.95 1x0o n PRO 98 N 6.99 0.12 -0.65 0.43 -0.04 -1.26 0.37 135.00 140.96 1x0o n PRO 98 Ca 0.15 0.22 0.03 0.00 -0.04 0.00 0.00 63.50 63.86 1x0o n PRO 98 Cb 0.45 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.62 1x0o n PRO 98 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1x0o n TYR 99 N -1.33 0.31 0.00 0.54 4.02 -1.26 -4.61 117.16 114.83 1x0o n TYR 99 Ca 0.04 -1.52 0.00 0.00 -0.01 0.00 0.00 57.90 56.42 1x0o n TYR 99 Cb 0.09 -0.32 0.00 0.00 -0.02 0.00 0.00 39.34 39.09 1x0o n TYR 99 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1x0o n SER 100 N -1.13 0.00 -1.31 7.72 2.88 -0.79 -5.01 113.62 115.98 1x0o n SER 100 Ca 0.23 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.60 1x0o n SER 100 Cb 0.79 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.17 1x0o n SER 100 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1x0o n ASP 101 N -0.00 -5.04 -4.91 -3.46 8.00 0.16 -4.99 116.55 106.30 1x0o n ASP 101 Ca 0.00 0.41 -0.27 0.00 0.71 0.00 0.00 54.79 55.64 1x0o n ASP 101 Cb 0.00 -4.03 -0.02 0.00 -0.02 0.00 0.00 41.12 37.05 1x0o n ASP 101 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1x0o s GLU 102 N -3.46 3.59 -0.27 -1.24 -1.05 -1.25 -4.80 118.70 110.22 1x0o s GLU 102 Ca 0.00 -0.02 -0.11 0.00 -0.15 0.00 0.00 54.97 54.69 1x0o s GLU 102 Cb 0.00 -2.60 -0.05 0.00 -0.44 0.00 0.00 34.13 31.04 1x0o s GLU 102 CO 0.00 0.13 0.19 0.42 0.95 0.00 0.00 175.26 176.94 1x0o s ILE 103 N -2.25 5.32 -0.06 1.83 1.01 -1.26 -0.69 121.20 125.10 1x0o s ILE 103 Ca 0.44 0.18 -0.23 0.00 0.00 0.00 0.00 60.65 61.05 1x0o s ILE 103 Cb -0.10 -3.53 -0.18 0.00 0.01 0.00 0.00 42.46 38.66 1x0o s ILE 103 CO 0.34 0.27 0.91 -0.33 0.00 0.00 0.00 174.94 176.13 1x0o h GLU 104 N 8.18 -0.14 0.00 2.79 5.08 -1.37 -3.49 114.58 125.64 1x0o h GLU 104 Ca -0.36 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.11 1x0o h GLU 104 Cb 1.19 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1x0o h GLU 104 CO 0.57 0.37 0.36 2.48 -1.00 0.00 0.00 179.01 181.79 1x0o n TYR 105 N -4.87 -1.16 -4.65 4.33 0.18 -1.26 -4.87 117.16 104.86 1x0o n TYR 105 Ca -0.08 -0.86 -0.32 0.00 1.88 0.00 0.00 57.90 58.52 1x0o n TYR 105 Cb 0.28 0.42 -0.12 0.00 -0.38 0.00 0.00 39.34 39.54 1x0o n TYR 105 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1x0o s ILE 106 N -2.26 3.16 -0.28 -3.48 1.01 0.66 -0.26 121.20 119.75 1x0o s ILE 106 Ca 0.14 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.91 1x0o s ILE 106 Cb -0.02 -2.32 0.07 0.00 0.01 0.00 0.00 42.46 40.20 1x0o s ILE 106 CO 0.04 0.43 -0.06 -0.63 0.00 0.00 0.00 174.94 174.72 1x0o s ILE 107 N -0.90 2.17 -0.05 2.92 1.01 0.78 -1.52 121.20 125.60 1x0o s ILE 107 Ca 0.15 -1.84 0.06 0.00 0.00 0.00 0.00 60.65 59.01 1x0o s ILE 107 Cb -0.11 -2.38 -0.02 0.00 0.01 0.00 0.00 42.46 39.96 1x0o s ILE 107 CO 0.05 -0.22 -0.22 0.00 0.00 0.00 0.00 174.94 174.55 1x0o s THR 109 N -0.33 5.40 -0.30 0.00 2.01 -0.52 -0.03 115.64 121.87 1x0o s THR 109 Ca 0.02 0.34 -0.03 0.00 0.31 0.00 0.00 61.69 62.32 1x0o s THR 109 Cb -0.12 -3.48 0.04 0.00 0.01 0.00 0.00 72.50 68.95 1x0o s THR 109 CO 0.02 0.56 0.02 0.20 -0.69 0.00 0.00 174.62 174.74 1x0o s ASN 110 N -0.68 4.95 -0.30 3.53 -0.87 0.32 -0.77 114.94 121.12 1x0o s ASN 110 Ca 0.15 -1.18 -0.10 0.00 -1.57 0.00 0.00 52.86 50.17 1x0o s ASN 110 Cb -0.13 -1.75 -0.01 0.00 -0.02 0.00 0.00 41.25 39.34 1x0o s ASN 110 CO 0.04 -0.26 0.15 -0.89 -2.57 0.00 0.00 177.10 173.58 1x0o s THR 111 N 1.31 4.66 -0.43 1.60 2.01 -0.32 -2.24 115.64 122.23 1x0o s THR 111 Ca -0.04 -0.35 -0.29 0.00 0.31 0.00 0.00 61.69 61.33 1x0o s THR 111 Cb -0.19 -3.35 0.01 0.00 0.01 0.00 0.00 72.50 68.98 1x0o s THR 111 CO -0.00 0.10 1.42 0.21 -0.69 0.00 0.00 174.62 175.66 1x0o s ASN 112 N 1.63 6.30 0.00 3.53 3.04 -1.13 -0.21 114.94 128.11 1x0o s ASN 112 Ca 0.05 0.78 0.00 0.00 0.04 0.00 0.00 52.86 53.73 1x0o s ASN 112 Cb -0.17 -2.54 0.00 0.00 -1.54 0.00 0.00 41.25 37.00 1x0o s ASN 112 CO 0.07 -1.47 0.00 1.33 -3.04 0.00 0.00 177.10 173.99 1x0o n VAL 113 N 7.08 0.00 -0.01 -5.21 0.24 -0.59 -4.86 118.33 114.98 1x0o n VAL 113 Ca 0.16 0.00 0.15 0.00 -2.04 0.00 0.00 64.34 62.62 1x0o n VAL 113 Cb 0.48 0.00 0.60 0.00 -1.47 0.00 0.00 33.84 33.45 1x0o n VAL 113 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1x0o h LYS 114 N 0.00 0.17 -3.87 7.34 1.57 -1.93 -3.48 116.57 116.37 1x0o h LYS 114 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1x0o h LYS 114 Cb 0.00 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 1x0o h LYS 114 CO 0.00 0.11 -0.60 -1.71 -0.57 0.00 0.00 179.45 176.68 1x0o n ASN 115 N -4.44 -2.43 -0.06 0.86 5.15 -1.26 -4.90 115.26 108.18 1x0o n ASN 115 Ca 0.09 0.59 -0.00 0.00 -0.60 0.00 0.00 54.58 54.66 1x0o n ASN 115 Cb 0.46 -2.85 0.28 0.00 -0.53 0.00 0.00 39.78 37.14 1x0o n ASN 115 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1x0o h SER 116 N 1.60 0.61 -4.31 1.20 0.02 -1.86 -3.44 113.55 107.37 1x0o h SER 116 Ca -0.16 -0.08 -0.46 0.00 -0.84 0.00 0.00 61.79 60.25 1x0o h SER 116 Cb 0.36 -0.16 -0.14 0.00 0.14 0.00 0.00 62.40 62.61 1x0o h SER 116 CO 0.02 0.59 -0.55 -0.55 -1.14 0.00 0.00 176.83 175.20 1x0o s SER 117 N -6.64 1.91 -1.30 3.07 0.15 -1.26 -4.80 113.70 104.83 1x0o s SER 117 Ca -0.09 -1.58 -0.01 0.00 0.70 0.00 0.00 55.95 54.97 1x0o s SER 117 Cb 0.16 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1x0o s SER 117 CO 0.77 -0.89 0.18 0.00 1.20 0.00 0.00 173.24 174.51 1x0o n GLN 118 N -0.67 -2.26 0.00 5.44 1.13 -1.26 -4.90 117.38 114.86 1x0o n GLN 118 Ca -0.01 0.75 0.00 0.00 -1.94 0.00 0.00 57.00 55.80 1x0o n GLN 118 Cb 0.65 -5.15 0.00 0.00 0.11 0.00 0.00 30.24 25.85 1x0o n GLN 118 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71