#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 3.83 -1.55 4.61 0.00 -1.26 -4.29 121.76 123.09 1x0o s ALA 2 Ca 0.00 -0.73 -0.05 0.00 0.00 0.00 0.00 51.96 51.18 1x0o s ALA 2 Cb 0.00 -2.04 0.01 0.00 0.00 0.00 0.00 23.12 21.09 1x0o s ALA 2 CO 0.00 0.54 0.60 -1.33 0.00 0.00 0.00 175.76 175.57 1x0o n MET 3 N -0.34 -4.80 -3.89 0.00 0.00 -1.26 -4.95 117.12 101.89 1x0o n MET 3 Ca -0.04 0.89 -0.29 0.00 0.00 0.00 0.00 57.70 58.26 1x0o n MET 3 Cb 0.53 -5.75 -0.12 0.00 0.00 0.00 0.00 33.22 27.88 1x0o n MET 3 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1x0o s ASP 4 N -2.70 4.79 -0.33 7.83 2.15 -1.26 -4.97 116.67 122.18 1x0o s ASP 4 Ca 0.31 -3.58 -0.05 0.00 0.43 0.00 0.00 52.55 49.65 1x0o s ASP 4 Cb -0.14 -1.67 0.19 0.00 -0.30 0.00 0.00 42.92 41.00 1x0o s ASP 4 CO 0.38 -0.14 0.93 0.54 -0.17 0.00 0.00 175.17 176.71 1x0o s ASN 5 N -0.97 -0.69 -0.11 -0.34 2.20 -1.26 -4.86 114.94 108.91 1x0o s ASN 5 Ca 0.23 -0.18 0.02 0.00 -0.94 0.00 0.00 52.86 51.99 1x0o s ASN 5 Cb -0.11 1.09 0.01 0.00 -2.00 0.00 0.00 41.25 40.24 1x0o s ASN 5 CO -0.11 -0.10 -0.17 -0.69 -2.94 0.00 0.00 177.10 173.09 1x0o s VAL 6 N 2.31 1.63 -0.51 3.54 1.01 -1.26 -4.88 120.40 122.24 1x0o s VAL 6 Ca 0.18 -0.72 -0.14 0.00 0.00 0.00 0.00 61.98 61.30 1x0o s VAL 6 Cb -0.01 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.92 1x0o s VAL 6 CO -0.17 0.47 0.63 0.00 0.00 0.00 0.00 175.10 176.03 1x0o s GLN 8 N -2.75 1.80 0.80 0.00 -1.52 -1.26 -5.12 119.66 111.61 1x0o s GLN 8 Ca 0.20 -1.27 -0.14 0.00 -1.95 0.00 0.00 55.36 52.20 1x0o s GLN 8 Cb -0.05 -2.07 0.06 0.00 -0.22 0.00 0.00 33.01 30.73 1x0o s GLN 8 CO 0.78 0.45 1.10 -2.30 -0.25 0.00 0.00 175.29 175.07 1x0o n PRO 9 N 0.50 0.21 -0.07 2.91 -0.02 -1.26 -4.79 135.00 132.48 1x0o n PRO 9 Ca -0.14 0.14 0.07 0.00 -2.02 0.00 0.00 63.50 61.55 1x0o n PRO 9 Cb 0.54 -2.35 0.28 0.00 -0.02 0.00 0.00 33.50 31.95 1x0o n PRO 9 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1x0o n THR 10 N -3.16 0.18 -3.90 3.45 -2.24 -1.26 -4.49 114.28 102.85 1x0o n THR 10 Ca 0.13 -0.22 -0.35 0.00 -2.27 0.00 0.00 64.05 61.34 1x0o n THR 10 Cb 0.50 0.09 -0.05 0.00 -2.10 0.00 0.00 70.33 68.77 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 -1.82 3.43 0.03 -0.78 2.02 -1.26 -3.82 118.70 116.49 1x0o s GLU 11 Ca 0.22 -0.24 -0.03 0.00 0.02 0.00 0.00 54.97 54.93 1x0o s GLU 11 Cb 0.11 -3.13 -0.02 0.00 0.10 0.00 0.00 34.13 31.20 1x0o s GLU 11 CO 0.17 0.72 0.04 -0.59 0.02 0.00 0.00 175.26 175.62 1x0o s PHE 12 N -1.20 0.23 -0.15 1.61 -0.12 -1.11 -4.75 117.98 112.50 1x0o s PHE 12 Ca 0.22 -0.51 -0.02 0.00 -0.05 0.00 0.00 56.93 56.57 1x0o s PHE 12 Cb -0.12 -0.17 -0.02 0.00 -0.63 0.00 0.00 43.02 42.08 1x0o s PHE 12 CO 0.12 -0.29 -0.09 0.42 -0.05 0.00 0.00 175.22 175.33 1x0o s ILE 13 N -2.12 3.30 0.01 -4.49 -1.09 -1.26 -0.81 121.20 114.74 1x0o s ILE 13 Ca -0.09 -0.56 -0.03 0.00 -2.23 0.00 0.00 60.65 57.73 1x0o s ILE 13 Cb -0.04 -2.42 -0.01 0.00 -1.58 0.00 0.00 42.46 38.40 1x0o s ILE 13 CO -0.03 0.50 0.04 -0.44 -1.23 0.00 0.00 174.94 173.78 1x0o s SER 14 N 0.52 0.16 -0.17 3.58 0.01 -0.98 -1.56 113.70 115.26 1x0o s SER 14 Ca -0.07 -0.40 -0.02 0.00 1.31 0.00 0.00 55.95 56.77 1x0o s SER 14 Cb -0.15 0.14 -0.01 0.00 0.21 0.00 0.00 66.02 66.21 1x0o s SER 14 CO 0.03 -0.34 -0.07 -0.13 0.41 0.00 0.00 173.24 173.14 1x0o s ARG 15 N -1.50 3.44 0.01 12.44 0.52 0.74 -0.46 118.95 134.15 1x0o s ARG 15 Ca -0.15 -0.62 0.00 0.00 -0.52 0.00 0.00 55.73 54.44 1x0o s ARG 15 Cb -0.09 -2.85 -0.01 0.00 0.52 0.00 0.00 34.95 32.52 1x0o s ARG 15 CO -0.00 0.05 -0.02 -3.38 0.02 0.00 0.00 175.30 171.96 1x0o s HIS 16 N 0.82 0.20 0.83 -0.53 -3.43 0.59 -0.83 115.29 112.94 1x0o s HIS 16 Ca -0.02 -0.29 -0.13 0.00 -0.80 0.00 0.00 55.06 53.82 1x0o s HIS 16 Cb -0.15 -0.13 0.10 0.00 -1.43 0.00 0.00 32.58 30.97 1x0o s HIS 16 CO 0.01 -0.10 1.20 0.54 -2.00 0.00 0.00 174.74 174.40 1x0o s ASN 17 N -0.81 4.28 0.53 7.38 4.22 0.50 0.02 114.94 131.06 1x0o s ASN 17 Ca -0.08 0.70 0.21 0.00 -2.14 0.00 0.00 52.86 51.55 1x0o s ASN 17 Cb -0.06 -1.12 1.34 0.00 1.28 0.00 0.00 41.25 42.69 1x0o s ASN 17 CO -0.00 -2.04 2.06 0.16 -2.04 0.00 0.00 177.10 175.24 1x0o h ILE 18 N -1.15 0.84 -0.00 0.54 3.07 -1.92 0.73 117.51 119.62 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 1.32 0.84 0.00 0.00 -0.27 0.00 0.00 36.82 38.71 1x0o h ILE 18 CO 0.62 0.00 -0.00 -0.62 -1.05 0.00 0.00 178.15 177.10 1x0o n GLU 19 N -4.45 0.90 -0.60 0.16 4.71 -1.26 -4.86 120.64 115.24 1x0o n GLU 19 Ca 0.04 -0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.18 1x0o n GLU 19 Cb 0.39 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.32 1x0o n GLU 19 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1x0o n GLY 20 N 1.06 1.25 3.60 0.62 0.00 0.25 -4.69 105.19 107.29 1x0o n GLY 20 Ca 0.22 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 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 5.16 -0.13 -0.61 -1.09 -1.11 -1.24 121.20 120.18 1x0o s ILE 21 Ca 0.00 0.52 -0.29 0.00 -2.23 0.00 0.00 60.65 58.65 1x0o s ILE 21 Cb 0.00 -3.72 -0.01 0.00 -1.58 0.00 0.00 42.46 37.15 1x0o s ILE 21 CO 0.00 0.12 1.04 -0.36 -1.23 0.00 0.00 174.94 174.51 1x0o s PHE 22 N 2.09 3.41 -0.11 3.97 0.40 -1.23 -0.37 117.98 126.14 1x0o s PHE 22 Ca 0.15 1.50 0.14 0.00 -0.60 0.00 0.00 56.93 58.13 1x0o s PHE 22 Cb -0.16 -3.24 -0.21 0.00 0.51 0.00 0.00 43.02 39.92 1x0o s PHE 22 CO 0.10 -0.45 0.14 0.25 0.70 0.00 0.00 175.22 175.96 1x0o n THR 23 N 4.78 0.73 -3.71 0.64 -2.24 -0.01 -2.58 114.28 111.88 1x0o n THR 23 Ca 0.10 -0.56 -0.16 0.00 -2.27 0.00 0.00 64.05 61.16 1x0o n THR 23 Cb 0.48 -0.38 -0.16 0.00 -2.10 0.00 0.00 70.33 68.17 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 -2.59 -0.10 -0.05 4.78 5.36 -1.00 -5.01 117.98 119.38 1x0o s PHE 24 Ca -0.07 0.43 0.03 0.00 -0.96 0.00 0.00 56.93 56.36 1x0o s PHE 24 Cb 0.06 -0.24 0.00 0.00 -0.34 0.00 0.00 43.02 42.51 1x0o s PHE 24 CO 0.63 -0.19 -0.14 0.08 -1.46 0.00 0.00 175.22 174.14 1x0o s VAL 25 N 1.70 1.21 0.46 3.12 1.01 -1.26 -0.18 120.40 126.45 1x0o s VAL 25 Ca -0.03 -0.57 -0.21 0.00 0.00 0.00 0.00 61.98 61.17 1x0o s VAL 25 Cb -0.12 -1.06 -0.09 0.00 0.00 0.00 0.00 36.38 35.11 1x0o s VAL 25 CO -0.05 0.36 1.02 -0.62 0.00 0.00 0.00 175.10 175.81 1x0o s ASP 26 N 0.25 6.54 0.58 3.32 2.15 -0.60 -4.74 116.67 124.16 1x0o s ASP 26 Ca -0.07 1.88 0.28 0.00 0.43 0.00 0.00 52.55 55.08 1x0o s ASP 26 Cb -0.12 -2.56 1.54 0.00 -0.30 0.00 0.00 42.92 41.48 1x0o s ASP 26 CO 0.02 -0.64 1.99 0.45 -0.17 0.00 0.00 175.17 176.83 1x0o h HIS 27 N 1.77 0.00 0.00 -5.34 3.86 -1.90 -1.42 115.15 112.12 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 1.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.68 1x0o h HIS 27 CO 0.58 0.00 0.00 0.54 0.86 0.00 0.00 177.93 179.91 1x0o n ARG 28 N -3.85 0.41 -0.17 2.45 1.74 -1.26 -2.56 116.66 113.42 1x0o n ARG 28 Ca 0.06 0.05 0.08 0.00 -0.77 0.00 0.00 57.85 57.27 1x0o n ARG 28 Cb 0.52 -1.50 0.39 0.00 -1.02 0.00 0.00 32.46 30.84 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 0.68 1.09 0.00 0.00 -1.51 -0.98 -0.98 116.25 114.55 1x0o h VAL 30 Ca 0.32 -1.56 -0.00 0.00 -1.23 0.00 0.00 66.70 64.23 1x0o h VAL 30 Cb 0.36 1.89 0.00 0.00 -2.13 0.00 0.00 31.29 31.41 1x0o h VAL 30 CO -0.11 0.41 -0.00 0.00 -1.23 0.00 0.00 177.57 176.64 1x0o h ALA 31 N 1.58 -0.00 0.24 5.19 0.00 -1.37 -1.26 119.26 123.63 1x0o h ALA 31 Ca -0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1x0o h ALA 31 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1x0o h ALA 31 CO 0.05 -0.14 -0.12 1.15 0.00 0.00 0.00 179.25 180.20 1x0o h THR 32 N -0.73 0.79 0.00 0.00 2.02 -1.36 -3.40 112.91 110.23 1x0o h THR 32 Ca -0.00 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 1x0o h THR 32 Cb 0.73 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 1x0o h THR 32 CO 0.00 0.15 -0.29 1.33 0.37 0.00 0.00 175.52 177.08 1x0o n VAL 33 N -5.06 1.05 0.00 3.16 0.24 -0.39 -4.92 118.33 112.41 1x0o n VAL 33 Ca -0.09 -1.36 0.00 0.00 -2.04 0.00 0.00 64.34 60.85 1x0o n VAL 33 Cb 0.26 0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 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 -0.73 1.59 3.75 7.63 0.00 -0.48 0.45 105.19 117.40 1x0o n GLY 34 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.01 3.37 0.53 1.61 2.02 -1.24 -4.55 117.35 119.08 1x0o s TYR 35 Ca 0.00 1.50 -0.18 0.00 -0.37 0.00 0.00 57.07 58.03 1x0o s TYR 35 Cb 0.00 -3.46 -0.07 0.00 -0.40 0.00 0.00 41.96 38.03 1x0o s TYR 35 CO 0.00 -1.20 1.02 -0.65 -1.57 0.00 0.00 175.55 173.15 1x0o s GLN 36 N -1.09 3.70 0.22 -0.62 -1.52 -1.26 -1.48 119.66 117.61 1x0o s GLN 36 Ca 0.49 1.18 -0.10 0.00 -1.95 0.00 0.00 55.36 54.98 1x0o s GLN 36 Cb -0.35 -2.09 0.34 0.00 -0.22 0.00 0.00 33.01 30.69 1x0o s GLN 36 CO 0.43 -0.50 1.64 -1.35 -0.25 0.00 0.00 175.29 175.27 1x0o h PRO 37 N 1.01 0.08 -0.65 2.91 0.11 -1.85 0.04 132.00 133.65 1x0o h PRO 37 Ca -0.48 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.69 1x0o h PRO 37 Cb 1.21 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 1x0o h PRO 37 CO 0.59 0.06 0.34 1.96 -0.21 0.00 0.00 178.00 180.74 1x0o h GLN 38 N 0.09 0.61 -0.35 1.05 1.08 -1.92 -1.36 115.11 114.30 1x0o h GLN 38 Ca 0.35 -0.04 0.02 0.00 -1.45 0.00 0.00 58.65 57.53 1x0o h GLN 38 Cb 0.58 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.86 1x0o h GLN 38 CO -0.61 0.40 0.24 0.93 -0.95 0.00 0.00 178.83 178.84 1x0o h GLU 39 N 0.62 0.40 0.00 1.46 4.39 -1.36 -2.16 114.58 117.93 1x0o h GLU 39 Ca 0.30 -0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.83 1x0o h GLU 39 Cb 0.23 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 1x0o h GLU 39 CO -0.21 0.27 -1.29 1.25 -1.16 0.00 0.00 179.01 177.87 1x0o h LEU 40 N 0.42 0.00 -9.03 1.33 5.85 -0.85 -3.44 115.31 109.59 1x0o h LEU 40 Ca 0.14 0.00 -0.58 0.00 0.84 0.00 0.00 57.88 58.28 1x0o h LEU 40 Cb 0.04 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1x0o h LEU 40 CO -0.03 0.51 1.37 -0.76 -0.34 0.00 0.00 178.44 179.18 1x0o s LEU 41 N -5.79 3.66 0.00 2.25 1.43 -0.58 -1.64 118.68 118.01 1x0o s LEU 41 Ca -0.02 1.87 0.00 0.00 -1.03 0.00 0.00 54.13 54.95 1x0o s LEU 41 Cb 0.09 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.79 1x0o s LEU 41 CO 0.80 -1.69 0.00 0.61 0.23 0.00 0.00 176.35 176.30 1x0o n GLY 42 N 5.38 0.78 3.84 -3.19 0.00 -1.07 -4.99 105.19 105.94 1x0o n GLY 42 Ca 0.26 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.59 2.97 -0.08 1.61 1.02 -0.65 -4.92 119.74 119.09 1x0o s LYS 43 Ca 0.00 -1.02 -0.21 0.00 0.02 0.00 0.00 55.97 54.76 1x0o s LYS 43 Cb 0.00 -2.60 -0.04 0.00 -0.52 0.00 0.00 37.83 34.67 1x0o s LYS 43 CO 0.00 0.41 0.59 -0.80 -0.92 0.00 0.00 175.35 174.63 1x0o s ASN 44 N -3.81 6.85 0.60 2.83 -0.87 -1.26 -3.52 114.94 115.76 1x0o s ASN 44 Ca 0.33 1.02 0.31 0.00 -1.57 0.00 0.00 52.86 52.96 1x0o s ASN 44 Cb -0.08 -2.35 1.89 0.00 -0.02 0.00 0.00 41.25 40.69 1x0o s ASN 44 CO 0.25 -0.05 2.27 -0.29 -2.57 0.00 0.00 177.10 176.71 1x0o h ILE 45 N 4.69 0.46 -0.04 0.60 2.10 -1.45 -1.15 117.51 122.73 1x0o h ILE 45 Ca -0.41 -0.02 -0.11 0.00 1.08 0.00 0.00 64.86 65.40 1x0o h ILE 45 Cb 1.19 1.01 -0.01 0.00 -1.09 0.00 0.00 36.82 37.92 1x0o h ILE 45 CO 0.75 0.00 -0.51 0.58 -1.08 0.00 0.00 178.15 177.90 1x0o h VAL 46 N 0.00 1.36 -0.03 2.19 2.07 -1.85 -0.28 116.25 119.71 1x0o h VAL 46 Ca -0.00 -1.75 -0.13 0.00 0.82 0.00 0.00 66.70 65.64 1x0o h VAL 46 Cb 0.01 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 1x0o h VAL 46 CO 0.00 0.51 -0.60 -0.33 0.02 0.00 0.00 177.57 177.17 1x0o h GLU 47 N 0.08 0.10 -0.39 1.57 4.39 -1.61 -2.20 114.58 116.52 1x0o h GLU 47 Ca 0.00 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1x0o h GLU 47 Cb 0.93 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 1x0o h GLU 47 CO 0.07 0.66 0.00 1.19 -1.16 0.00 0.00 179.01 179.77 1x0o n PHE 48 N -3.85 0.51 -3.27 4.33 3.72 -1.09 -4.89 117.46 112.91 1x0o n PHE 48 Ca -0.02 -0.25 -0.39 0.00 -0.05 0.00 0.00 57.45 56.74 1x0o n PHE 48 Cb 0.60 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.08 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 1.87 1.48 -0.16 0.00 -0.00 -0.56 -4.70 115.22 113.15 1x0o n HIS 50 Ca -0.10 0.81 0.28 0.00 0.46 0.00 0.00 57.72 59.18 1x0o n HIS 50 Cb 0.51 -2.28 0.72 0.00 -0.12 0.00 0.00 29.99 28.82 1x0o n HIS 50 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1x0o h PRO 51 N 4.93 0.00 -0.01 1.57 0.13 -1.92 0.75 132.00 137.45 1x0o h PRO 51 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1x0o h PRO 51 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1x0o h PRO 51 CO 0.83 0.00 -0.26 0.39 -0.23 0.00 0.00 178.00 178.73 1x0o n GLU 52 N -4.14 0.78 -0.04 0.86 1.02 -1.26 -3.71 120.64 114.15 1x0o n GLU 52 Ca 0.18 -0.45 0.02 0.00 -0.02 0.00 0.00 57.16 56.90 1x0o n GLU 52 Cb 0.97 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 30.95 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 -0.72 1.93 -0.05 1.62 9.92 0.26 -4.61 116.55 124.89 1x0o n ASP 53 Ca 0.12 -1.64 -0.11 0.00 -0.53 0.00 0.00 54.79 52.63 1x0o n ASP 53 Cb 0.34 -0.05 -0.05 0.00 -0.64 0.00 0.00 41.12 40.72 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 0.84 0.28 -0.12 -1.24 4.20 -1.45 -0.33 115.11 117.29 1x0o h GLN 54 Ca 0.00 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.57 1x0o h GLN 54 Cb 0.41 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 1x0o h GLN 54 CO 0.00 0.38 -0.29 1.96 -0.67 0.00 0.00 178.83 180.21 1x0o h GLN 55 N 0.13 0.23 -0.36 1.46 1.08 -1.83 0.05 115.11 115.86 1x0o h GLN 55 Ca 0.06 -0.08 0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1x0o h GLN 55 Cb 0.21 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 1x0o h GLN 55 CO -0.00 0.50 0.23 1.25 -0.95 0.00 0.00 178.83 179.86 1x0o h LEU 56 N 0.20 0.38 -0.02 1.46 6.46 -1.70 0.70 115.31 122.80 1x0o h LEU 56 Ca 0.03 -0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1x0o h LEU 56 Cb 0.62 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.46 1x0o h LEU 56 CO 0.04 0.28 0.01 -0.07 -0.62 0.00 0.00 178.44 178.08 1x0o h LEU 57 N 0.47 0.03 0.02 2.25 3.38 -0.71 -2.26 115.31 118.48 1x0o h LEU 57 Ca 0.14 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1x0o h LEU 57 Cb -0.03 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 1x0o h LEU 57 CO -0.05 0.20 -0.39 -0.09 0.09 0.00 0.00 178.44 178.21 1x0o h ARG 58 N -0.15 -0.53 -0.21 1.13 2.43 -0.59 0.17 114.38 116.62 1x0o h ARG 58 Ca 0.01 0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 1x0o h ARG 58 Cb 0.18 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 1x0o h ARG 58 CO -0.00 -0.36 -0.08 0.22 -1.51 0.00 0.00 179.97 178.25 1x0o h ASP 59 N -0.55 -0.26 0.25 -3.80 3.58 -0.92 -0.79 116.42 113.93 1x0o h ASP 59 Ca 0.05 0.07 -0.09 0.00 0.42 0.00 0.00 57.03 57.48 1x0o h ASP 59 Cb 0.63 0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.82 1x0o h ASP 59 CO -0.29 -0.10 -0.37 0.28 -2.88 0.00 0.00 179.24 175.88 1x0o h SER 60 N -0.04 0.18 0.01 2.28 0.02 -0.86 0.23 113.55 115.38 1x0o h SER 60 Ca 0.11 -0.07 -0.16 0.00 -0.84 0.00 0.00 61.79 60.83 1x0o h SER 60 Cb 0.20 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1x0o h SER 60 CO -0.24 0.55 -0.52 -0.26 -1.14 0.00 0.00 176.83 175.22 1x0o h PHE 61 N 0.15 0.70 -0.42 3.45 0.04 -0.35 -2.41 116.94 118.09 1x0o h PHE 61 Ca 0.02 -0.24 -0.08 0.00 2.80 0.00 0.00 57.97 60.46 1x0o h PHE 61 Cb 0.74 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.73 1x0o h PHE 61 CO 0.01 0.96 -0.08 1.96 -0.60 0.00 0.00 178.31 180.56 1x0o h GLN 62 N 0.44 0.74 -0.45 1.51 1.08 0.36 -2.12 115.11 116.66 1x0o h GLN 62 Ca 0.01 -0.23 -0.01 0.00 -1.45 0.00 0.00 58.65 56.98 1x0o h GLN 62 Cb 1.06 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.40 1x0o h GLN 62 CO 0.10 0.81 0.24 1.96 -0.95 0.00 0.00 178.83 180.99 1x0o h GLN 63 N 0.68 0.63 0.00 1.46 1.08 -0.35 0.14 115.11 118.74 1x0o h GLN 63 Ca 0.12 -0.08 -0.07 0.00 -1.45 0.00 0.00 58.65 57.17 1x0o h GLN 63 Cb 0.54 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 1x0o h GLN 63 CO 0.03 0.50 -0.35 -0.24 -0.95 0.00 0.00 178.83 177.83 1x0o h VAL 64 N 0.59 0.89 0.00 -0.54 3.04 -1.32 0.40 116.25 119.30 1x0o h VAL 64 Ca 0.16 -1.39 -0.10 0.00 -1.01 0.00 0.00 66.70 64.36 1x0o h VAL 64 Cb 0.06 1.84 -0.01 0.00 -2.01 0.00 0.00 31.29 31.17 1x0o h VAL 64 CO -0.02 0.34 -0.47 0.58 -1.01 0.00 0.00 177.57 176.99 1x0o h VAL 65 N 0.00 1.12 0.00 1.51 2.07 -0.67 0.24 116.25 120.52 1x0o h VAL 65 Ca -0.00 -1.73 -0.07 0.00 0.82 0.00 0.00 66.70 65.72 1x0o h VAL 65 Cb 0.81 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 1x0o h VAL 65 CO 0.05 0.46 -0.77 0.11 0.02 0.00 0.00 177.57 177.43 1x0o h LYS 66 N 0.00 0.00 0.05 1.57 1.57 0.21 -3.34 116.57 116.63 1x0o h LYS 66 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1x0o h LYS 66 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1x0o h LYS 66 CO 0.06 0.22 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.07 1x0o h LEU 67 N 0.00 -0.06 -2.98 2.94 3.38 0.13 -3.50 115.31 115.23 1x0o h LEU 67 Ca -0.04 -0.60 -0.21 0.00 0.09 0.00 0.00 57.88 57.12 1x0o h LEU 67 Cb 1.27 0.01 0.01 0.00 0.09 0.00 0.00 40.66 42.04 1x0o h LEU 67 CO 0.03 0.66 -0.90 0.29 0.09 0.00 0.00 178.44 178.61 1x0o n LYS 68 N -4.77 -2.12 0.00 1.13 5.02 0.80 -4.40 118.16 113.83 1x0o n LYS 68 Ca -0.08 1.74 0.00 0.00 -2.02 0.00 0.00 58.31 57.95 1x0o n LYS 68 Cb 0.32 -3.63 0.00 0.00 -0.02 0.00 0.00 35.03 31.70 1x0o n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x0o n GLY 69 N -0.17 2.63 3.86 0.72 0.00 -1.26 -5.04 105.19 105.93 1x0o n GLY 69 Ca 0.01 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 1x0o n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x0o s GLN 70 N 0.00 3.79 -0.04 1.61 -0.21 -1.26 -4.97 119.66 118.58 1x0o s GLN 70 Ca 0.00 0.22 -0.30 0.00 0.02 0.00 0.00 55.36 55.30 1x0o s GLN 70 Cb 0.00 -3.03 -0.03 0.00 1.00 0.00 0.00 33.01 30.95 1x0o s GLN 70 CO 0.00 0.58 1.08 0.08 -2.12 0.00 0.00 175.29 174.91 1x0o s VAL 71 N -1.35 4.56 -0.24 1.09 1.01 -1.26 -4.71 120.40 119.50 1x0o s VAL 71 Ca 0.32 1.84 0.00 0.00 0.00 0.00 0.00 61.98 64.14 1x0o s VAL 71 Cb -0.14 -4.18 0.03 0.00 0.00 0.00 0.00 36.38 32.09 1x0o s VAL 71 CO 0.17 0.06 -0.10 -0.22 0.00 0.00 0.00 175.10 175.01 1x0o s LEU 72 N 1.67 3.03 -0.26 3.92 1.98 -1.01 -4.88 118.68 123.15 1x0o s LEU 72 Ca 0.53 -0.97 -0.08 0.00 -2.89 0.00 0.00 54.13 50.71 1x0o s LEU 72 Cb -0.22 -1.59 -0.03 0.00 0.66 0.00 0.00 46.19 45.00 1x0o s LEU 72 CO 0.23 -0.12 0.10 -0.44 -1.89 0.00 0.00 176.35 174.23 1x0o s SER 73 N 1.26 5.38 -0.06 3.68 0.01 -1.26 0.13 113.70 122.83 1x0o s SER 73 Ca -0.01 -0.15 0.04 0.00 1.31 0.00 0.00 55.95 57.14 1x0o s SER 73 Cb -0.17 -1.98 -0.02 0.00 0.21 0.00 0.00 66.02 64.07 1x0o s SER 73 CO -0.06 -0.03 -0.17 0.54 0.41 0.00 0.00 173.24 173.92 1x0o s VAL 74 N 1.62 2.80 -0.17 3.43 0.11 0.47 -4.89 120.40 123.76 1x0o s VAL 74 Ca 0.06 -0.81 -0.03 0.00 -2.93 0.00 0.00 61.98 58.28 1x0o s VAL 74 Cb -0.15 -2.09 -0.02 0.00 -1.53 0.00 0.00 36.38 32.59 1x0o s VAL 74 CO 0.05 0.57 -0.06 -0.32 -3.33 0.00 0.00 175.10 172.02 1x0o s MET 75 N -0.43 3.50 0.38 1.54 1.75 -1.26 -0.10 119.30 124.68 1x0o s MET 75 Ca 0.05 -0.60 -0.12 0.00 -1.25 0.00 0.00 55.69 53.77 1x0o s MET 75 Cb -0.12 -2.88 0.04 0.00 2.84 0.00 0.00 34.83 34.71 1x0o s MET 75 CO 0.02 0.08 0.71 -0.59 -0.65 0.00 0.00 175.02 174.59 1x0o s PHE 76 N 0.75 0.39 -0.29 4.11 -0.71 -0.67 -5.00 117.98 116.57 1x0o s PHE 76 Ca -0.03 -0.95 -0.06 0.00 -1.04 0.00 0.00 56.93 54.86 1x0o s PHE 76 Cb -0.15 0.59 0.02 0.00 -1.21 0.00 0.00 43.02 42.27 1x0o s PHE 76 CO 0.02 -1.46 0.06 1.03 -1.34 0.00 0.00 175.22 173.52 1x0o s ARG 77 N -2.47 2.97 -0.04 1.99 0.52 -1.25 -1.60 118.95 119.08 1x0o s ARG 77 Ca 0.20 -0.93 -0.16 0.00 -0.52 0.00 0.00 55.73 54.32 1x0o s ARG 77 Cb -0.04 -3.32 -0.05 0.00 0.52 0.00 0.00 34.95 32.06 1x0o s ARG 77 CO 0.14 -0.47 0.44 0.12 0.02 0.00 0.00 175.30 175.55 1x0o s PHE 78 N 1.45 3.66 -0.24 -0.53 2.19 -0.03 -1.49 117.98 122.99 1x0o s PHE 78 Ca 0.01 0.97 -0.29 0.00 0.33 0.00 0.00 56.93 57.95 1x0o s PHE 78 Cb -0.17 -2.39 0.01 0.00 -1.31 0.00 0.00 43.02 39.16 1x0o s PHE 78 CO 0.01 0.48 1.09 0.50 1.83 0.00 0.00 175.22 179.13 1x0o s ARG 79 N -0.51 4.21 0.86 10.12 3.52 0.22 -1.80 118.95 135.57 1x0o s ARG 79 Ca 0.24 1.35 -0.12 0.00 -0.13 0.00 0.00 55.73 57.08 1x0o s ARG 79 Cb -0.16 -3.69 0.11 0.00 -1.56 0.00 0.00 34.95 29.65 1x0o s ARG 79 CO 0.12 -0.71 1.11 0.45 -0.81 0.00 0.00 175.30 175.46 1x0o s SER 80 N 1.46 3.91 0.00 -2.12 0.15 0.96 -4.89 113.70 113.17 1x0o s SER 80 Ca 0.46 1.21 0.14 0.00 0.70 0.00 0.00 55.95 58.46 1x0o s SER 80 Cb -0.16 -1.88 0.60 0.00 -1.71 0.00 0.00 66.02 62.87 1x0o s SER 80 CO 0.10 -2.33 1.43 1.17 1.20 0.00 0.00 173.24 174.81 1x0o n LYS 81 N -3.65 0.03 -0.24 5.44 3.00 0.17 -0.46 118.16 122.45 1x0o n LYS 81 Ca 0.07 0.25 0.11 0.00 -0.00 0.00 0.00 58.31 58.74 1x0o n LYS 81 Cb 0.57 -1.50 0.26 0.00 0.00 0.00 0.00 35.03 34.36 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 -1.47 3.31 -2.33 3.14 3.02 -1.26 -4.92 115.26 114.75 1x0o n ASN 82 Ca 0.04 -1.97 -0.19 0.00 -0.03 0.00 0.00 54.58 52.43 1x0o n ASN 82 Cb 0.15 -0.31 0.01 0.00 -0.61 0.00 0.00 39.78 39.02 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 1.35 -2.85 -2.93 3.52 3.00 0.39 -5.01 117.38 114.86 1x0o n GLN 83 Ca 0.20 0.83 -0.25 0.00 -0.01 0.00 0.00 57.00 57.77 1x0o n GLN 83 Cb 0.56 -5.37 0.00 0.00 0.00 0.00 0.00 30.24 25.43 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 -5.22 3.37 -0.63 -1.09 2.02 -1.25 -4.82 118.70 111.09 1x0o s GLU 84 Ca 0.13 -0.13 0.05 0.00 0.02 0.00 0.00 54.97 55.04 1x0o s GLU 84 Cb -0.06 -2.50 0.17 0.00 0.10 0.00 0.00 34.13 31.84 1x0o s GLU 84 CO 0.16 -0.15 0.45 -1.58 0.02 0.00 0.00 175.26 174.17 1x0o s TRP 85 N -2.59 2.96 0.56 1.61 0.52 -1.26 -0.03 118.94 120.71 1x0o s TRP 85 Ca 0.46 -3.08 -0.07 0.00 0.02 0.00 0.00 56.10 53.42 1x0o s TRP 85 Cb -0.10 -2.28 -0.02 0.00 -1.15 0.00 0.00 33.47 29.93 1x0o s TRP 85 CO 0.41 -0.62 0.89 -0.48 0.02 0.00 0.00 176.95 177.16 1x0o s LEU 86 N -1.05 3.38 -0.31 2.99 0.05 -0.75 -3.55 118.68 119.45 1x0o s LEU 86 Ca 0.26 0.95 -0.17 0.00 0.05 0.00 0.00 54.13 55.22 1x0o s LEU 86 Cb -0.03 -3.86 -0.02 0.00 -2.05 0.00 0.00 46.19 40.22 1x0o s LEU 86 CO -0.17 -0.85 0.46 0.26 -0.55 0.00 0.00 176.35 175.51 1x0o s TRP 87 N -2.94 3.22 0.04 3.48 0.52 0.12 -0.85 118.94 122.53 1x0o s TRP 87 Ca 0.52 0.34 0.04 0.00 0.02 0.00 0.00 56.10 57.01 1x0o s TRP 87 Cb -0.11 -2.76 -0.02 0.00 -1.15 0.00 0.00 33.47 29.44 1x0o s TRP 87 CO 0.47 -0.38 -0.11 0.00 0.02 0.00 0.00 176.95 176.94 1x0o s MET 88 N 2.25 0.74 -0.31 4.98 0.23 -0.63 -0.67 119.30 125.89 1x0o s MET 88 Ca 0.18 -0.74 -0.07 0.00 -1.03 0.00 0.00 55.69 54.03 1x0o s MET 88 Cb -0.16 -0.68 0.02 0.00 -1.53 0.00 0.00 34.83 32.49 1x0o s MET 88 CO 0.11 0.16 0.09 0.50 -2.03 0.00 0.00 175.02 173.85 1x0o s ARG 89 N -1.28 2.92 -0.21 3.16 3.52 0.06 -1.66 118.95 125.45 1x0o s ARG 89 Ca -0.02 -0.98 -0.16 0.00 -0.13 0.00 0.00 55.73 54.44 1x0o s ARG 89 Cb -0.08 -3.42 -0.04 0.00 -1.56 0.00 0.00 34.95 29.85 1x0o s ARG 89 CO 0.01 -0.53 0.42 0.99 -0.81 0.00 0.00 175.30 175.38 1x0o s THR 90 N 1.47 5.18 -0.25 4.11 2.01 0.86 -2.39 115.64 126.62 1x0o s THR 90 Ca 0.01 0.73 -0.19 0.00 0.31 0.00 0.00 61.69 62.55 1x0o s THR 90 Cb -0.18 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.56 1x0o s THR 90 CO 0.03 0.22 0.55 -0.44 -0.69 0.00 0.00 174.62 174.30 1x0o s SER 91 N 1.14 6.49 0.26 3.53 0.01 -0.19 -0.40 113.70 124.54 1x0o s SER 91 Ca 0.19 0.60 0.00 0.00 1.31 0.00 0.00 55.95 58.05 1x0o s SER 91 Cb -0.15 -2.30 -0.04 0.00 0.21 0.00 0.00 66.02 63.74 1x0o s SER 91 CO 0.08 -0.31 0.44 -0.55 0.41 0.00 0.00 173.24 173.32 1x0o s SER 92 N 1.49 6.35 -0.26 2.44 0.15 0.12 -1.20 113.70 122.80 1x0o s SER 92 Ca 0.23 0.38 -0.19 0.00 0.70 0.00 0.00 55.95 57.07 1x0o s SER 92 Cb -0.16 -2.00 0.07 0.00 -1.71 0.00 0.00 66.02 62.23 1x0o s SER 92 CO 0.09 -0.13 0.65 0.12 1.20 0.00 0.00 173.24 175.17 1x0o s PHE 93 N -2.04 -0.87 -0.37 3.44 5.36 -1.13 -2.39 117.98 119.99 1x0o s PHE 93 Ca 0.38 1.90 -0.08 0.00 -0.96 0.00 0.00 56.93 58.17 1x0o s PHE 93 Cb -0.10 0.42 0.05 0.00 -0.34 0.00 0.00 43.02 43.05 1x0o s PHE 93 CO 0.31 -0.43 0.18 0.95 -1.46 0.00 0.00 175.22 174.77 1x0o s THR 94 N 1.00 4.11 -0.16 0.12 -4.23 -1.26 -0.04 115.64 115.18 1x0o s THR 94 Ca -0.05 -1.16 -0.29 0.00 -1.18 0.00 0.00 61.69 59.00 1x0o s THR 94 Cb -0.05 -3.39 -0.03 0.00 1.34 0.00 0.00 72.50 70.38 1x0o s THR 94 CO -0.09 -0.30 1.42 0.12 -0.54 0.00 0.00 174.62 175.22 1x0o s PHE 95 N 1.44 2.50 -0.10 3.99 2.19 -0.79 -4.40 117.98 122.81 1x0o s PHE 95 Ca 0.01 0.71 -0.10 0.00 0.33 0.00 0.00 56.93 57.88 1x0o s PHE 95 Cb -0.21 -3.72 -0.05 0.00 -1.31 0.00 0.00 43.02 37.74 1x0o s PHE 95 CO 0.03 -2.45 0.22 -0.65 1.83 0.00 0.00 175.22 174.20 1x0o s GLN 96 N 3.87 3.69 -0.16 10.12 -0.21 -1.26 -1.21 119.66 134.49 1x0o s GLN 96 Ca 0.62 0.01 -0.33 0.00 0.02 0.00 0.00 55.36 55.69 1x0o s GLN 96 Cb -0.25 -3.24 -0.10 0.00 1.00 0.00 0.00 33.01 30.43 1x0o s GLN 96 CO 0.21 0.67 2.02 0.09 -2.12 0.00 0.00 175.29 176.17 1x0o n ASN 97 N 2.21 3.18 0.00 5.90 5.03 0.30 -4.82 115.26 127.06 1x0o n ASN 97 Ca -0.17 0.69 0.00 0.00 0.87 0.00 0.00 54.58 55.97 1x0o n ASN 97 Cb 0.54 -1.40 0.00 0.00 -1.02 0.00 0.00 39.78 37.90 1x0o n ASN 97 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 1x0o n PRO 98 N 7.47 0.00 0.00 3.52 -0.04 -1.26 0.34 135.00 145.03 1x0o n PRO 98 Ca 0.28 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 1x0o n PRO 98 Cb 0.32 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.48 0.00 0.00 0.54 4.01 -1.26 -4.77 117.16 114.20 1x0o n TYR 99 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1x0o n TYR 99 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 1x0o n TYR 99 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1x0o n SER 100 N -0.62 0.37 0.00 7.72 7.64 -0.08 -5.00 113.62 123.65 1x0o n SER 100 Ca 0.00 -0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.68 1x0o n SER 100 Cb 0.00 0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1x0o n SER 100 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1x0o n ASP 101 N -0.51 -4.14 -4.83 6.43 8.00 0.15 -4.90 116.55 116.75 1x0o n ASP 101 Ca 0.00 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.18 1x0o n ASP 101 Cb 0.00 -3.06 -0.01 0.00 -0.02 0.00 0.00 41.12 38.03 1x0o n ASP 101 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1x0o s GLU 102 N -1.62 3.60 -0.28 -1.24 0.41 -1.26 -4.59 118.70 113.72 1x0o s GLU 102 Ca 0.00 1.05 -0.14 0.00 -0.41 0.00 0.00 54.97 55.47 1x0o s GLU 102 Cb 0.00 -2.08 -0.04 0.00 -1.78 0.00 0.00 34.13 30.23 1x0o s GLU 102 CO 0.00 -0.57 0.33 0.42 -0.49 0.00 0.00 175.26 174.95 1x0o s ILE 103 N -2.61 5.20 0.01 -1.63 1.01 -1.26 0.11 121.20 122.02 1x0o s ILE 103 Ca 0.61 0.40 -0.21 0.00 0.00 0.00 0.00 60.65 61.44 1x0o s ILE 103 Cb -0.13 -3.68 -0.19 0.00 0.01 0.00 0.00 42.46 38.47 1x0o s ILE 103 CO 0.37 0.13 1.19 -0.33 0.00 0.00 0.00 174.94 176.30 1x0o h GLU 104 N 8.26 0.32 -2.01 2.79 5.08 -1.52 -3.48 114.58 124.03 1x0o h GLU 104 Ca -0.32 -0.25 0.11 0.00 -1.00 0.00 0.00 59.36 57.90 1x0o h GLU 104 Cb 1.16 0.05 -0.18 0.00 0.50 0.00 0.00 28.75 30.29 1x0o h GLU 104 CO 0.63 0.89 0.53 1.52 -1.00 0.00 0.00 179.01 181.58 1x0o s TYR 105 N -3.68 -0.34 0.07 4.33 -0.85 -1.26 -4.88 117.35 110.74 1x0o s TYR 105 Ca -0.14 0.33 -0.13 0.00 -0.52 0.00 0.00 57.07 56.61 1x0o s TYR 105 Cb 0.04 0.51 -0.06 0.00 0.38 0.00 0.00 41.96 42.82 1x0o s TYR 105 CO 0.77 -0.46 0.45 0.42 -1.52 0.00 0.00 175.55 175.21 1x0o s ILE 106 N -2.47 4.99 -0.36 -3.49 1.01 0.10 -1.89 121.20 119.09 1x0o s ILE 106 Ca 0.03 0.73 -0.05 0.00 0.00 0.00 0.00 60.65 61.37 1x0o s ILE 106 Cb -0.01 -3.71 0.07 0.00 0.01 0.00 0.00 42.46 38.82 1x0o s ILE 106 CO -0.05 0.40 0.13 -0.63 0.00 0.00 0.00 174.94 174.78 1x0o s ILE 107 N -1.29 3.49 -0.38 2.92 1.01 0.94 -0.30 121.20 127.60 1x0o s ILE 107 Ca 0.31 -1.50 -0.15 0.00 0.00 0.00 0.00 60.65 59.30 1x0o s ILE 107 Cb -0.16 -3.12 0.00 0.00 0.01 0.00 0.00 42.46 39.20 1x0o s ILE 107 CO 0.17 -0.35 0.36 0.00 0.00 0.00 0.00 174.94 175.11 1x0o s THR 109 N 1.95 5.00 -0.29 0.00 2.01 -0.34 -2.33 115.64 121.64 1x0o s THR 109 Ca 0.10 1.46 -0.10 0.00 0.31 0.00 0.00 61.69 63.46 1x0o s THR 109 Cb -0.17 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.26 1x0o s THR 109 CO 0.12 0.18 0.15 0.21 -0.69 0.00 0.00 174.62 174.59 1x0o s ASN 110 N 0.94 5.64 -0.34 3.53 2.47 0.01 -1.03 114.94 126.15 1x0o s ASN 110 Ca 0.37 -0.32 -0.01 0.00 0.42 0.00 0.00 52.86 53.32 1x0o s ASN 110 Cb -0.17 -2.03 0.08 0.00 -1.45 0.00 0.00 41.25 37.68 1x0o s ASN 110 CO 0.16 -0.13 0.07 -0.89 -3.72 0.00 0.00 177.10 172.59 1x0o s THR 111 N 1.66 2.88 -0.18 -5.21 2.01 -1.01 -2.74 115.64 113.06 1x0o s THR 111 Ca 0.06 -1.83 -0.27 0.00 0.31 0.00 0.00 61.69 59.96 1x0o s THR 111 Cb -0.16 -2.86 -0.01 0.00 0.01 0.00 0.00 72.50 69.48 1x0o s THR 111 CO 0.07 -0.40 0.91 0.21 -0.69 0.00 0.00 174.62 174.72 1x0o s ASN 112 N 1.37 7.02 0.00 3.53 3.04 -1.25 -0.76 114.94 127.89 1x0o s ASN 112 Ca 0.02 1.27 0.00 0.00 0.04 0.00 0.00 52.86 54.19 1x0o s ASN 112 Cb -0.21 -2.49 0.00 0.00 -1.54 0.00 0.00 41.25 37.01 1x0o s ASN 112 CO -0.04 -0.48 0.00 0.52 -3.04 0.00 0.00 177.10 174.06 1x0o n VAL 113 N 4.90 0.00 -4.61 -5.21 0.31 0.15 -4.98 118.33 108.90 1x0o n VAL 113 Ca 0.07 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.13 1x0o n VAL 113 Cb 0.48 -0.29 -0.10 0.00 -0.91 0.00 0.00 33.84 33.02 1x0o n VAL 113 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1x0o s LYS 114 N 0.07 1.94 -0.03 5.55 0.00 -1.20 -4.99 119.74 121.08 1x0o s LYS 114 Ca 0.00 -2.13 0.03 0.00 0.00 0.00 0.00 55.97 53.87 1x0o s LYS 114 Cb 0.00 -1.41 -0.03 0.00 0.00 0.00 0.00 37.83 36.39 1x0o s LYS 114 CO 0.00 -0.16 -0.09 1.21 0.00 0.00 0.00 175.35 176.31 1x0o s ASN 115 N -3.69 4.46 -0.34 0.03 2.47 -1.26 0.13 114.94 116.73 1x0o s ASN 115 Ca 0.29 -0.13 -0.20 0.00 0.42 0.00 0.00 52.86 53.24 1x0o s ASN 115 Cb 0.08 -1.03 -0.00 0.00 -1.45 0.00 0.00 41.25 38.85 1x0o s ASN 115 CO 0.14 0.32 0.63 -0.55 -3.72 0.00 0.00 177.10 173.93 1x0o s SER 116 N -1.07 6.45 -1.05 -4.21 0.15 -1.23 -4.87 113.70 107.86 1x0o s SER 116 Ca 0.14 0.23 -0.08 0.00 0.70 0.00 0.00 55.95 56.94 1x0o s SER 116 Cb -0.11 -2.33 -0.11 0.00 -1.71 0.00 0.00 66.02 61.76 1x0o s SER 116 CO 0.04 -0.56 3.10 -0.24 1.20 0.00 0.00 173.24 176.77 1x0o n SER 117 N 6.00 7.54 -3.65 5.45 2.88 -1.26 -4.19 113.62 126.39 1x0o n SER 117 Ca -0.01 -2.64 -0.21 0.00 -1.33 0.00 0.00 58.87 54.68 1x0o n SER 117 Cb 0.49 -1.48 0.05 0.00 -0.75 0.00 0.00 64.21 62.51 1x0o n SER 117 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1x0o n GLN 118 N 2.93 -5.49 0.00 -1.46 -0.06 -1.26 -5.15 117.38 106.89 1x0o n GLN 118 Ca 0.65 0.68 0.04 0.00 -2.00 0.00 0.00 57.00 56.37 1x0o n GLN 118 Cb 0.45 -5.39 0.03 0.00 -4.06 0.00 0.00 30.24 21.27 1x0o n GLN 118 CO 0.00 0.00 0.00 -0.85 -0.20 0.00 0.00 177.06 176.01