#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x0o n ALA 2 N 0.00 -2.52 -1.72 4.61 0.00 -1.26 -5.00 120.51 114.61 1x0o n ALA 2 Ca 0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 53.44 53.14 1x0o n ALA 2 Cb 0.00 -2.22 0.10 0.00 0.00 0.00 0.00 19.45 17.33 1x0o n ALA 2 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1x0o s MET 3 N -3.48 1.87 -0.08 0.00 -1.94 -1.26 -5.01 119.30 109.40 1x0o s MET 3 Ca 0.09 0.32 -0.21 0.00 -1.71 0.00 0.00 55.69 54.18 1x0o s MET 3 Cb -0.02 -1.92 -0.29 0.00 2.01 0.00 0.00 34.83 34.61 1x0o s MET 3 CO 0.76 -1.70 0.77 0.38 -0.01 0.00 0.00 175.02 175.23 1x0o h ASP 4 N -1.14 0.37 -6.12 3.03 2.03 -1.97 -3.47 116.42 109.15 1x0o h ASP 4 Ca -0.47 -0.92 -0.43 0.00 -0.73 0.00 0.00 57.03 54.48 1x0o h ASP 4 Cb 1.31 -0.12 0.04 0.00 -0.83 0.00 0.00 39.33 39.72 1x0o h ASP 4 CO 0.63 1.40 -0.81 0.59 -1.03 0.00 0.00 179.24 180.02 1x0o n ASN 5 N -4.15 -2.04 -0.26 4.15 3.02 -1.26 -4.63 115.26 110.08 1x0o n ASN 5 Ca -0.17 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 1x0o n ASN 5 Cb 0.79 -4.06 0.00 0.00 -0.61 0.00 0.00 39.78 35.91 1x0o n ASN 5 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1x0o n VAL 6 N -4.37 -1.27 -1.57 2.41 0.31 -1.26 -4.77 118.33 107.80 1x0o n VAL 6 Ca -0.22 0.34 -0.41 0.00 -0.01 0.00 0.00 64.34 64.04 1x0o n VAL 6 Cb 0.64 -0.50 -0.04 0.00 -0.91 0.00 0.00 33.84 33.04 1x0o n VAL 6 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x0o s GLN 8 N 7.16 3.08 0.88 0.00 -1.52 -1.26 -5.10 119.66 122.90 1x0o s GLN 8 Ca 1.01 -0.46 -0.12 0.00 -1.95 0.00 0.00 55.36 53.85 1x0o s GLN 8 Cb -0.34 -2.87 0.12 0.00 -0.22 0.00 0.00 33.01 29.70 1x0o s GLN 8 CO 0.33 0.66 1.10 -2.14 -0.25 0.00 0.00 175.29 174.99 1x0o s PRO 9 N -1.63 1.37 -0.14 2.91 0.02 -1.26 -4.76 135.00 131.52 1x0o s PRO 9 Ca 0.22 0.69 0.01 0.00 0.02 0.00 0.00 61.00 61.94 1x0o s PRO 9 Cb -0.12 -1.83 0.21 0.00 0.02 0.00 0.00 34.50 32.78 1x0o s PRO 9 CO 0.12 -2.13 1.26 0.25 -0.33 0.00 0.00 177.00 176.18 1x0o n THR 10 N -3.78 1.64 -4.43 0.99 -2.24 -1.26 -4.20 114.28 101.00 1x0o n THR 10 Ca 0.07 -0.59 -0.21 0.00 -2.27 0.00 0.00 64.05 61.04 1x0o n THR 10 Cb 0.56 -0.81 -0.16 0.00 -2.10 0.00 0.00 70.33 67.82 1x0o n THR 10 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1x0o s GLU 11 N -1.06 1.12 -0.01 -0.78 -6.30 -1.26 -1.22 118.70 109.18 1x0o s GLU 11 Ca 0.18 -0.32 -0.07 0.00 -2.50 0.00 0.00 54.97 52.25 1x0o s GLU 11 Cb 0.15 -1.02 0.01 0.00 0.00 0.00 0.00 34.13 33.27 1x0o s GLU 11 CO 0.04 0.09 0.15 -0.59 0.02 0.00 0.00 175.26 174.97 1x0o s PHE 12 N 0.34 -0.02 -0.16 5.30 -0.71 0.30 -4.80 117.98 118.22 1x0o s PHE 12 Ca -0.06 0.02 -0.16 0.00 -1.04 0.00 0.00 56.93 55.69 1x0o s PHE 12 Cb -0.11 -0.02 -0.04 0.00 -1.21 0.00 0.00 43.02 41.65 1x0o s PHE 12 CO 0.01 -0.25 0.39 0.42 -1.34 0.00 0.00 175.22 174.46 1x0o s ILE 13 N -1.04 5.23 -0.03 -4.49 1.01 -1.26 -0.07 121.20 120.55 1x0o s ILE 13 Ca -0.11 0.75 0.04 0.00 0.00 0.00 0.00 60.65 61.33 1x0o s ILE 13 Cb -0.06 -3.73 -0.00 0.00 0.01 0.00 0.00 42.46 38.67 1x0o s ILE 13 CO 0.01 0.32 -0.16 -0.94 0.00 0.00 0.00 174.94 174.18 1x0o s SER 14 N 0.69 2.01 -0.17 3.58 1.04 0.62 -2.63 113.70 118.84 1x0o s SER 14 Ca 0.21 -0.32 -0.03 0.00 0.48 0.00 0.00 55.95 56.29 1x0o s SER 14 Cb -0.14 -0.48 -0.02 0.00 0.10 0.00 0.00 66.02 65.47 1x0o s SER 14 CO 0.07 0.15 -0.06 -0.13 0.98 0.00 0.00 173.24 174.26 1x0o s ARG 15 N -0.04 3.51 0.01 4.02 0.52 0.53 -1.29 118.95 126.21 1x0o s ARG 15 Ca -0.01 -0.59 -0.15 0.00 -0.52 0.00 0.00 55.73 54.45 1x0o s ARG 15 Cb -0.10 -2.89 0.02 0.00 0.52 0.00 0.00 34.95 32.51 1x0o s ARG 15 CO 0.01 0.09 0.33 -3.38 0.02 0.00 0.00 175.30 172.37 1x0o s HIS 16 N 0.75 -0.18 0.62 -0.53 -3.43 -0.82 -1.02 115.29 110.68 1x0o s HIS 16 Ca -0.03 0.19 -0.15 0.00 -0.80 0.00 0.00 55.06 54.27 1x0o s HIS 16 Cb -0.15 0.12 -0.02 0.00 -1.43 0.00 0.00 32.58 31.10 1x0o s HIS 16 CO 0.02 -0.45 1.07 1.21 -2.00 0.00 0.00 174.74 174.59 1x0o s ASN 17 N -1.64 5.54 0.57 7.38 2.47 0.92 -0.02 114.94 130.16 1x0o s ASN 17 Ca -0.10 1.85 0.31 0.00 0.42 0.00 0.00 52.86 55.34 1x0o s ASN 17 Cb -0.03 -2.53 1.43 0.00 -1.45 0.00 0.00 41.25 38.67 1x0o s ASN 17 CO 0.01 -1.34 1.81 0.16 -3.72 0.00 0.00 177.10 174.02 1x0o h ILE 18 N 0.18 0.36 0.00 -5.21 3.07 -1.89 0.75 117.51 114.78 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 1.23 0.49 0.00 0.00 -0.27 0.00 0.00 36.82 38.27 1x0o h ILE 18 CO 0.56 0.00 0.00 -0.33 -1.05 0.00 0.00 178.15 177.33 1x0o h GLU 19 N 0.00 0.00 0.00 0.16 5.08 -2.01 -3.45 114.58 114.36 1x0o h GLU 19 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1x0o h GLU 19 Cb 1.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.95 1x0o h GLU 19 CO -0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1x0o n GLY 20 N -0.12 0.93 3.62 -3.84 0.00 0.26 -4.84 105.19 101.20 1x0o n GLY 20 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 4.59 0.08 -0.61 -1.09 -0.97 -1.59 121.20 119.60 1x0o s ILE 21 Ca 0.00 1.38 -0.31 0.00 -2.23 0.00 0.00 60.65 59.50 1x0o s ILE 21 Cb 0.00 -4.34 -0.07 0.00 -1.58 0.00 0.00 42.46 36.48 1x0o s ILE 21 CO 0.00 -0.48 1.31 -0.36 -1.23 0.00 0.00 174.94 174.19 1x0o s PHE 22 N 3.47 3.28 -0.04 3.97 0.08 -0.89 -0.05 117.98 127.79 1x0o s PHE 22 Ca 0.40 1.08 0.08 0.00 0.12 0.00 0.00 56.93 58.60 1x0o s PHE 22 Cb -0.12 -3.57 -0.11 0.00 -0.57 0.00 0.00 43.02 38.64 1x0o s PHE 22 CO 0.17 -1.95 0.11 0.25 -0.10 0.00 0.00 175.22 173.70 1x0o n THR 23 N 4.02 0.24 -3.72 0.64 -2.24 -0.19 -0.76 114.28 112.27 1x0o n THR 23 Ca 0.11 -0.25 -0.14 0.00 -2.27 0.00 0.00 64.05 61.49 1x0o n THR 23 Cb 0.44 -0.20 -0.14 0.00 -2.10 0.00 0.00 70.33 68.33 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 -2.40 -0.21 -0.03 4.78 5.36 -0.35 -4.95 117.98 120.19 1x0o s PHE 24 Ca -0.03 0.59 0.03 0.00 -0.96 0.00 0.00 56.93 56.55 1x0o s PHE 24 Cb 0.04 -0.10 0.00 0.00 -0.34 0.00 0.00 43.02 42.62 1x0o s PHE 24 CO 0.33 -0.21 -0.10 0.08 -1.46 0.00 0.00 175.22 173.86 1x0o s VAL 25 N 1.49 0.90 0.40 3.12 1.01 -1.26 -0.35 120.40 125.71 1x0o s VAL 25 Ca -0.06 -0.42 -0.20 0.00 0.00 0.00 0.00 61.98 61.30 1x0o s VAL 25 Cb -0.12 -0.79 -0.10 0.00 0.00 0.00 0.00 36.38 35.37 1x0o s VAL 25 CO -0.06 0.28 0.90 -0.62 0.00 0.00 0.00 175.10 175.59 1x0o s ASP 26 N 0.17 6.92 0.61 3.32 -1.08 -1.08 -4.71 116.67 120.82 1x0o s ASP 26 Ca -0.03 1.60 0.28 0.00 -0.52 0.00 0.00 52.55 53.88 1x0o s ASP 26 Cb -0.09 -2.50 1.47 0.00 -1.46 0.00 0.00 42.92 40.34 1x0o s ASP 26 CO 0.01 -0.31 1.87 0.45 0.52 0.00 0.00 175.17 177.71 1x0o h HIS 27 N 2.06 0.00 0.00 -5.34 3.86 -1.94 -1.06 115.15 112.74 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 1.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.65 1x0o h HIS 27 CO 0.62 0.00 0.00 0.54 0.86 0.00 0.00 177.93 179.95 1x0o n ARG 28 N -3.43 0.02 -0.15 2.45 1.74 -1.26 -2.15 116.66 113.87 1x0o n ARG 28 Ca 0.05 0.38 0.01 0.00 -0.77 0.00 0.00 57.85 57.52 1x0o n ARG 28 Cb 0.61 -1.50 0.29 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 0.88 1.23 0.00 0.00 -1.51 -0.85 0.78 116.25 116.78 1x0o h VAL 30 Ca 0.23 -1.02 -0.00 0.00 -1.23 0.00 0.00 66.70 64.69 1x0o h VAL 30 Cb -0.07 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 30.23 1x0o h VAL 30 CO -0.05 0.33 -0.00 0.00 -1.23 0.00 0.00 177.57 176.62 1x0o h ALA 31 N 1.41 -0.01 0.22 5.19 0.00 -1.70 -1.07 119.26 123.30 1x0o h ALA 31 Ca 0.09 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.57 1x0o h ALA 31 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1x0o h ALA 31 CO 0.03 -0.03 -0.28 1.15 0.00 0.00 0.00 179.25 180.12 1x0o h THR 32 N -0.96 0.39 0.00 0.00 2.02 -1.32 -3.38 112.91 109.67 1x0o h THR 32 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1x0o h THR 32 Cb 0.88 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1x0o h THR 32 CO 0.00 0.00 -0.26 1.33 0.37 0.00 0.00 175.52 176.96 1x0o n VAL 33 N -5.40 0.39 0.00 3.16 0.24 0.23 -4.91 118.33 112.04 1x0o n VAL 33 Ca -0.08 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.77 1x0o n VAL 33 Cb 0.31 0.49 0.00 0.00 -1.47 0.00 0.00 33.84 33.17 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 -0.28 2.35 3.73 7.63 0.00 -0.41 -0.54 105.19 117.68 1x0o n GLY 34 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.17 3.31 0.40 1.61 2.02 -1.24 -4.61 117.35 118.67 1x0o s TYR 35 Ca 0.00 1.24 -0.23 0.00 -0.37 0.00 0.00 57.07 57.71 1x0o s TYR 35 Cb 0.00 -3.56 -0.10 0.00 -0.40 0.00 0.00 41.96 37.90 1x0o s TYR 35 CO 0.00 -1.75 0.98 -0.65 -1.57 0.00 0.00 175.55 172.56 1x0o s GLN 36 N 0.10 4.26 0.25 -0.62 -1.52 -1.26 -1.89 119.66 118.98 1x0o s GLN 36 Ca 0.57 1.27 -0.12 0.00 -1.95 0.00 0.00 55.36 55.13 1x0o s GLN 36 Cb -0.35 -2.40 0.35 0.00 -0.22 0.00 0.00 33.01 30.39 1x0o s GLN 36 CO 0.36 -0.02 1.57 -1.35 -0.25 0.00 0.00 175.29 175.60 1x0o h PRO 37 N 2.31 -0.01 -0.76 2.91 0.11 -1.84 0.24 132.00 134.95 1x0o h PRO 37 Ca -0.48 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 1x0o h PRO 37 Cb 1.19 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1x0o h PRO 37 CO 0.62 -0.01 0.31 1.96 -0.21 0.00 0.00 178.00 180.67 1x0o h GLN 38 N -0.01 1.13 0.00 1.05 1.08 -1.92 -2.36 115.11 114.08 1x0o h GLN 38 Ca 0.41 -0.20 -0.03 0.00 -1.45 0.00 0.00 58.65 57.38 1x0o h GLN 38 Cb 0.65 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.89 1x0o h GLN 38 CO -0.95 0.91 -0.16 0.93 -0.95 0.00 0.00 178.83 178.62 1x0o h GLU 39 N 1.10 0.00 0.00 1.46 4.39 -0.92 -2.12 114.58 118.49 1x0o h GLU 39 Ca 0.25 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.83 1x0o h GLU 39 Cb 0.20 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 1x0o h GLU 39 CO -0.02 0.16 -1.38 -0.11 -1.16 0.00 0.00 179.01 176.49 1x0o n LEU 40 N -3.86 0.78 -4.69 1.33 7.94 -0.77 -4.84 117.00 112.90 1x0o n LEU 40 Ca -0.02 0.33 -0.42 0.00 -1.11 0.00 0.00 56.01 54.79 1x0o n LEU 40 Cb 0.25 0.05 -0.03 0.00 0.53 0.00 0.00 43.42 44.23 1x0o n LEU 40 CO 0.32 0.07 1.43 -0.76 -1.11 0.00 0.00 177.39 177.35 1x0o s LEU 41 N -5.60 4.39 0.00 -1.96 1.43 -0.80 -2.30 118.68 113.84 1x0o s LEU 41 Ca -0.03 2.65 0.00 0.00 -1.03 0.00 0.00 54.13 55.73 1x0o s LEU 41 Cb 0.09 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.75 1x0o s LEU 41 CO 0.81 -0.97 0.00 0.61 0.23 0.00 0.00 176.35 177.03 1x0o n GLY 42 N 4.18 2.02 3.67 -3.19 0.00 0.06 -4.99 105.19 106.93 1x0o n GLY 42 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.87 2.30 0.06 1.61 1.02 -0.97 -4.81 119.74 118.08 1x0o s LYS 43 Ca 0.00 -1.47 -0.17 0.00 0.02 0.00 0.00 55.97 54.35 1x0o s LYS 43 Cb 0.00 -2.15 -0.06 0.00 -0.52 0.00 0.00 37.83 35.10 1x0o s LYS 43 CO 0.00 0.28 0.51 1.21 -0.92 0.00 0.00 175.35 176.44 1x0o s ASN 44 N -3.72 6.94 0.51 2.83 3.84 -1.26 -2.10 114.94 121.98 1x0o s ASN 44 Ca 0.33 1.13 0.20 0.00 0.21 0.00 0.00 52.86 54.73 1x0o s ASN 44 Cb -0.05 -2.31 1.32 0.00 -0.55 0.00 0.00 41.25 39.66 1x0o s ASN 44 CO 0.21 0.26 2.11 -0.29 -2.79 0.00 0.00 177.10 176.60 1x0o h ILE 45 N 3.46 0.89 0.00 -5.21 2.10 -1.62 -1.68 117.51 115.45 1x0o h ILE 45 Ca -0.50 -0.27 -0.11 0.00 1.08 0.00 0.00 64.86 65.05 1x0o h ILE 45 Cb 1.21 1.15 -0.02 0.00 -1.09 0.00 0.00 36.82 38.08 1x0o h ILE 45 CO 0.63 0.07 -0.53 0.58 -1.08 0.00 0.00 178.15 177.83 1x0o h VAL 46 N 0.00 1.37 0.00 2.19 2.07 -1.88 -1.48 116.25 118.51 1x0o h VAL 46 Ca -0.00 -1.82 -0.04 0.00 0.82 0.00 0.00 66.70 65.66 1x0o h VAL 46 Cb 0.15 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1x0o h VAL 46 CO 0.01 0.52 -0.18 -0.33 0.02 0.00 0.00 177.57 177.61 1x0o h GLU 47 N 0.00 0.00 -0.17 1.57 4.39 -1.70 -2.25 114.58 116.42 1x0o h GLU 47 Ca -0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1x0o h GLU 47 Cb 0.94 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.59 1x0o h GLU 47 CO 0.07 0.18 -0.01 1.19 -1.16 0.00 0.00 179.01 179.28 1x0o n PHE 48 N -3.55 0.61 -3.70 4.33 3.72 -0.97 -4.98 117.46 112.91 1x0o n PHE 48 Ca -0.01 -0.94 -0.34 0.00 -0.05 0.00 0.00 57.45 56.10 1x0o n PHE 48 Cb 0.32 -0.26 -0.05 0.00 -0.94 0.00 0.00 39.48 38.55 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 0.92 1.33 0.29 0.00 -0.00 0.41 -4.74 115.22 113.43 1x0o n HIS 50 Ca -0.09 0.85 0.16 0.00 0.46 0.00 0.00 57.72 59.10 1x0o n HIS 50 Cb 0.52 -2.25 0.86 0.00 -0.12 0.00 0.00 29.99 29.00 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 4.50 0.00 -0.01 1.57 0.13 -1.93 0.67 132.00 136.94 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 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1x0o h PRO 51 CO 0.79 0.00 -0.56 0.39 -0.23 0.00 0.00 178.00 178.39 1x0o n GLU 52 N -2.74 0.75 0.00 0.86 -0.58 -1.26 -4.18 120.64 113.48 1x0o n GLU 52 Ca -0.02 -0.58 0.02 0.00 -0.42 0.00 0.00 57.16 56.16 1x0o n GLU 52 Cb 0.22 -1.49 0.02 0.00 -0.57 0.00 0.00 31.44 29.62 1x0o n GLU 52 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1x0o n ASP 53 N -0.62 1.32 0.10 1.62 8.00 0.22 -4.51 116.55 122.69 1x0o n ASP 53 Ca 0.08 -1.16 -0.02 0.00 0.71 0.00 0.00 54.79 54.40 1x0o n ASP 53 Cb 0.40 0.03 0.21 0.00 -0.02 0.00 0.00 41.12 41.74 1x0o n ASP 53 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1x0o h GLN 54 N 0.82 0.20 -0.32 -1.24 4.20 -1.46 0.11 115.11 117.42 1x0o h GLN 54 Ca 0.00 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.54 1x0o h GLN 54 Cb 0.18 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1x0o h GLN 54 CO 0.00 0.62 -0.05 0.37 -0.67 0.00 0.00 178.83 179.10 1x0o h GLN 55 N 0.16 0.60 -0.51 1.46 -0.00 -1.85 -0.88 115.11 114.09 1x0o h GLN 55 Ca 0.01 -0.22 0.06 0.00 -0.00 0.00 0.00 58.65 58.50 1x0o h GLN 55 Cb 0.88 -0.04 -0.05 0.00 0.00 0.00 0.00 27.48 28.27 1x0o h GLN 55 CO 0.07 0.77 0.23 1.25 0.00 0.00 0.00 178.83 181.15 1x0o h LEU 56 N 0.38 0.30 -0.40 -2.39 6.46 -1.59 0.13 115.31 118.19 1x0o h LEU 56 Ca 0.08 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.88 1x0o h LEU 56 Cb 0.53 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.43 1x0o h LEU 56 CO 0.03 0.21 0.22 -0.07 -0.62 0.00 0.00 178.44 178.21 1x0o h LEU 57 N 0.45 0.50 -0.02 2.25 3.38 -0.77 -1.63 115.31 119.47 1x0o h LEU 57 Ca 0.24 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.16 1x0o h LEU 57 Cb 0.20 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 1x0o h LEU 57 CO -0.20 0.44 -0.30 -0.09 0.09 0.00 0.00 178.44 178.39 1x0o h ARG 58 N 0.52 -0.42 -0.28 1.13 2.43 0.22 0.18 114.38 118.17 1x0o h ARG 58 Ca 0.14 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.39 1x0o h ARG 58 Cb 0.05 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 1x0o h ARG 58 CO -0.02 -0.28 0.02 0.22 -1.51 0.00 0.00 179.97 178.40 1x0o h ASP 59 N -0.44 -0.06 0.09 -3.80 3.58 -0.75 -1.24 116.42 113.81 1x0o h ASP 59 Ca 0.07 0.05 -0.10 0.00 0.42 0.00 0.00 57.03 57.47 1x0o h ASP 59 Cb 0.53 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.66 1x0o h ASP 59 CO -0.27 0.00 -0.33 0.28 -2.88 0.00 0.00 179.24 176.05 1x0o h SER 60 N 0.12 0.36 -0.04 2.28 0.02 -0.75 0.22 113.55 115.75 1x0o h SER 60 Ca 0.13 -0.13 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 1x0o h SER 60 Cb 0.16 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1x0o h SER 60 CO -0.20 0.67 -0.41 -0.26 -1.14 0.00 0.00 176.83 175.49 1x0o h PHE 61 N 0.30 0.68 -0.57 3.45 0.04 -0.40 -1.80 116.94 118.65 1x0o h PHE 61 Ca 0.04 -0.20 -0.09 0.00 2.80 0.00 0.00 57.97 60.51 1x0o h PHE 61 Cb 0.74 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.72 1x0o h PHE 61 CO 0.02 0.89 -0.02 1.96 -0.60 0.00 0.00 178.31 180.57 1x0o h GLN 62 N 0.47 0.99 -0.16 1.51 1.08 -0.06 -2.45 115.11 116.49 1x0o h GLN 62 Ca 0.04 -0.31 -0.00 0.00 -1.45 0.00 0.00 58.65 56.92 1x0o h GLN 62 Cb 0.92 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.25 1x0o h GLN 62 CO 0.08 0.98 0.09 1.96 -0.95 0.00 0.00 178.83 180.99 1x0o h GLN 63 N 0.91 0.23 0.00 1.46 1.08 -0.33 -1.99 115.11 116.47 1x0o h GLN 63 Ca 0.16 -0.03 -0.05 0.00 -1.45 0.00 0.00 58.65 57.28 1x0o h GLN 63 Cb 0.55 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.93 1x0o h GLN 63 CO 0.03 0.25 -0.23 -0.24 -0.95 0.00 0.00 178.83 177.69 1x0o h VAL 64 N 0.16 0.61 0.00 -0.54 3.04 -1.25 0.84 116.25 119.11 1x0o h VAL 64 Ca 0.06 -1.05 -0.06 0.00 -1.01 0.00 0.00 66.70 64.64 1x0o h VAL 64 Cb 0.09 1.70 -0.01 0.00 -2.01 0.00 0.00 31.29 31.05 1x0o h VAL 64 CO -0.01 0.22 -0.26 0.58 -1.01 0.00 0.00 177.57 177.09 1x0o h VAL 65 N 0.00 0.57 0.09 1.51 2.07 -1.17 -2.24 116.25 117.09 1x0o h VAL 65 Ca -0.00 -1.33 -0.33 0.00 0.82 0.00 0.00 66.70 65.86 1x0o h VAL 65 Cb 0.68 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 1x0o h VAL 65 CO 0.03 0.26 -1.76 0.11 0.02 0.00 0.00 177.57 176.23 1x0o h LYS 66 N 0.00 0.20 -0.99 1.57 1.57 -0.36 -3.35 116.57 115.22 1x0o h LYS 66 Ca -0.00 -0.34 -0.24 0.00 -1.87 0.00 0.00 60.65 58.20 1x0o h LYS 66 Cb 0.89 0.13 -0.14 0.00 0.08 0.00 0.00 32.23 33.18 1x0o h LYS 66 CO 0.03 1.01 0.30 1.28 -0.57 0.00 0.00 179.45 181.50 1x0o n LEU 67 N -3.37 4.74 -3.11 2.94 4.77 0.28 -4.97 117.00 118.28 1x0o n LEU 67 Ca -0.23 -2.48 -0.42 0.00 -0.03 0.00 0.00 56.01 52.86 1x0o n LEU 67 Cb 1.05 -0.66 -0.09 0.00 -2.33 0.00 0.00 43.42 41.39 1x0o n LEU 67 CO 0.46 0.75 1.30 0.29 -1.33 0.00 0.00 177.39 178.87 1x0o n LYS 68 N -0.27 0.00 0.00 3.23 5.02 -0.85 0.32 118.16 125.61 1x0o n LYS 68 Ca 0.28 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 1x0o n LYS 68 Cb 1.05 -1.09 0.00 0.00 -0.02 0.00 0.00 35.03 34.98 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 5.34 2.47 3.86 0.72 0.00 -1.26 -5.02 105.19 111.30 1x0o n GLY 69 Ca 0.41 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.45 3.75 -0.33 1.61 -1.52 0.15 -4.95 119.66 117.92 1x0o s GLN 70 Ca 0.00 0.19 -0.29 0.00 -1.95 0.00 0.00 55.36 53.31 1x0o s GLN 70 Cb 0.00 -3.13 0.01 0.00 -0.22 0.00 0.00 33.01 29.67 1x0o s GLN 70 CO 0.00 0.66 1.21 0.08 -0.25 0.00 0.00 175.29 176.99 1x0o s VAL 71 N -1.20 4.26 -0.28 1.09 1.01 -1.26 -4.56 120.40 119.46 1x0o s VAL 71 Ca 0.26 1.42 -0.04 0.00 0.00 0.00 0.00 61.98 63.61 1x0o s VAL 71 Cb -0.15 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 31.96 1x0o s VAL 71 CO 0.14 -0.55 0.01 -0.22 0.00 0.00 0.00 175.10 174.48 1x0o s LEU 72 N 4.18 3.63 -0.23 3.92 1.98 -0.09 -4.88 118.68 127.19 1x0o s LEU 72 Ca 0.52 -0.90 -0.19 0.00 -2.89 0.00 0.00 54.13 50.67 1x0o s LEU 72 Cb -0.14 -1.77 -0.03 0.00 0.66 0.00 0.00 46.19 44.92 1x0o s LEU 72 CO 0.22 -0.19 0.55 -0.94 -1.89 0.00 0.00 176.35 174.10 1x0o s SER 73 N 1.38 6.54 -0.11 3.68 1.04 -1.26 0.24 113.70 125.21 1x0o s SER 73 Ca -0.00 0.65 0.02 0.00 0.48 0.00 0.00 55.95 57.10 1x0o s SER 73 Cb -0.18 -2.30 -0.01 0.00 0.10 0.00 0.00 66.02 63.63 1x0o s SER 73 CO -0.01 -0.26 -0.18 0.54 0.98 0.00 0.00 173.24 174.31 1x0o s VAL 74 N 2.05 2.62 -0.17 5.02 0.11 0.44 -4.95 120.40 125.53 1x0o s VAL 74 Ca 0.24 -0.83 -0.01 0.00 -2.93 0.00 0.00 61.98 58.46 1x0o s VAL 74 Cb -0.16 -2.05 -0.01 0.00 -1.53 0.00 0.00 36.38 32.63 1x0o s VAL 74 CO 0.09 0.55 -0.12 -0.32 -3.33 0.00 0.00 175.10 171.97 1x0o s MET 75 N 0.23 3.29 0.36 1.54 1.75 -1.26 -0.10 119.30 125.11 1x0o s MET 75 Ca -0.12 -0.70 -0.08 0.00 -1.25 0.00 0.00 55.69 53.54 1x0o s MET 75 Cb -0.16 -2.72 0.02 0.00 2.84 0.00 0.00 34.83 34.81 1x0o s MET 75 CO 0.06 0.00 0.60 -0.59 -0.65 0.00 0.00 175.02 174.45 1x0o s PHE 76 N 0.88 0.67 -0.39 4.11 -0.71 -0.30 -4.99 117.98 117.26 1x0o s PHE 76 Ca -0.03 -1.09 -0.09 0.00 -1.04 0.00 0.00 56.93 54.68 1x0o s PHE 76 Cb -0.15 0.29 0.06 0.00 -1.21 0.00 0.00 43.02 42.01 1x0o s PHE 76 CO -0.00 -1.31 0.22 1.03 -1.34 0.00 0.00 175.22 173.81 1x0o s ARG 77 N -2.76 2.66 0.06 1.99 0.52 -1.25 -0.25 118.95 119.92 1x0o s ARG 77 Ca 0.24 -1.31 -0.27 0.00 -0.52 0.00 0.00 55.73 53.88 1x0o s ARG 77 Cb -0.02 -3.71 -0.06 0.00 0.52 0.00 0.00 34.95 31.68 1x0o s ARG 77 CO 0.17 -0.84 0.83 0.12 0.02 0.00 0.00 175.30 175.60 1x0o s PHE 78 N 1.46 3.76 -0.66 -0.53 2.19 0.80 -0.45 117.98 124.55 1x0o s PHE 78 Ca 0.02 1.58 -0.26 0.00 0.33 0.00 0.00 56.93 58.59 1x0o s PHE 78 Cb -0.21 -2.90 0.04 0.00 -1.31 0.00 0.00 43.02 38.63 1x0o s PHE 78 CO 0.03 0.25 1.18 0.50 1.83 0.00 0.00 175.22 179.01 1x0o s ARG 79 N -0.02 3.29 1.28 10.12 3.52 0.10 -1.11 118.95 136.13 1x0o s ARG 79 Ca 0.41 -0.17 -0.17 0.00 -0.13 0.00 0.00 55.73 55.67 1x0o s ARG 79 Cb -0.21 -4.12 0.30 0.00 -1.56 0.00 0.00 34.95 29.36 1x0o s ARG 79 CO 0.25 -1.89 0.82 0.45 -0.81 0.00 0.00 175.30 174.12 1x0o n SER 80 N 8.67 -2.76 0.00 -2.12 2.88 0.12 -4.79 113.62 115.62 1x0o n SER 80 Ca 0.04 -0.43 0.08 0.00 -1.33 0.00 0.00 58.87 57.22 1x0o n SER 80 Cb 0.48 -1.11 0.37 0.00 -0.75 0.00 0.00 64.21 63.20 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 -4.82 0.09 -0.33 -1.46 3.00 0.30 -0.51 118.16 114.43 1x0o n LYS 81 Ca 0.06 0.19 0.12 0.00 -0.00 0.00 0.00 58.31 58.67 1x0o n LYS 81 Cb 0.56 -1.50 0.30 0.00 0.00 0.00 0.00 35.03 34.39 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 -1.42 3.74 -2.92 3.14 3.02 -1.26 -4.93 115.26 114.63 1x0o n ASN 82 Ca 0.05 -2.00 -0.16 0.00 -0.03 0.00 0.00 54.58 52.44 1x0o n ASN 82 Cb 0.17 -0.44 0.07 0.00 -0.61 0.00 0.00 39.78 38.96 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 1.56 -5.81 -4.54 3.52 3.00 0.33 -5.03 117.38 110.41 1x0o n GLN 83 Ca 0.23 0.66 -0.30 0.00 -0.01 0.00 0.00 57.00 57.58 1x0o n GLN 83 Cb 0.60 -5.15 -0.13 0.00 0.00 0.00 0.00 30.24 25.56 1x0o n GLN 83 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 1x0o s GLU 84 N -5.61 1.83 -0.46 -1.09 -1.05 -1.24 -4.90 118.70 106.17 1x0o s GLU 84 Ca 0.26 -1.13 -0.10 0.00 -0.15 0.00 0.00 54.97 53.85 1x0o s GLU 84 Cb -0.11 -2.08 0.11 0.00 -0.44 0.00 0.00 34.13 31.60 1x0o s GLU 84 CO 0.57 0.50 0.34 -1.58 0.95 0.00 0.00 175.26 176.04 1x0o s TRP 85 N -1.00 3.39 0.20 4.83 0.52 -1.26 0.14 118.94 125.77 1x0o s TRP 85 Ca 0.15 -1.71 0.05 0.00 0.02 0.00 0.00 56.10 54.61 1x0o s TRP 85 Cb -0.10 -3.37 -0.04 0.00 -1.15 0.00 0.00 33.47 28.81 1x0o s TRP 85 CO 0.06 -0.95 0.21 -0.48 0.02 0.00 0.00 176.95 175.81 1x0o s LEU 86 N 1.40 3.96 -0.44 2.99 0.05 -0.27 -4.43 118.68 121.94 1x0o s LEU 86 Ca 0.05 -0.10 -0.29 0.00 0.05 0.00 0.00 54.13 53.84 1x0o s LEU 86 Cb -0.26 -2.53 0.02 0.00 -2.05 0.00 0.00 46.19 41.38 1x0o s LEU 86 CO 0.00 0.01 1.22 0.26 -0.55 0.00 0.00 176.35 177.29 1x0o s TRP 87 N -1.91 2.72 -0.09 3.48 0.52 -0.29 -0.14 118.94 123.23 1x0o s TRP 87 Ca 0.33 0.74 0.04 0.00 0.02 0.00 0.00 56.10 57.23 1x0o s TRP 87 Cb -0.09 -4.34 0.00 0.00 -1.15 0.00 0.00 33.47 27.89 1x0o s TRP 87 CO 0.25 -1.45 -0.22 1.41 0.02 0.00 0.00 176.95 176.96 1x0o s MET 88 N 4.53 2.73 -0.37 4.98 1.75 0.66 -0.07 119.30 133.51 1x0o s MET 88 Ca 0.52 -0.80 -0.08 0.00 -1.25 0.00 0.00 55.69 54.07 1x0o s MET 88 Cb -0.10 -2.12 0.05 0.00 2.84 0.00 0.00 34.83 35.50 1x0o s MET 88 CO 0.31 0.18 0.17 0.50 -0.65 0.00 0.00 175.02 175.53 1x0o s ARG 89 N 0.32 2.67 -0.13 4.11 3.52 0.88 -1.15 118.95 129.16 1x0o s ARG 89 Ca -0.16 -1.22 -0.13 0.00 -0.13 0.00 0.00 55.73 54.09 1x0o s ARG 89 Cb -0.17 -3.62 -0.05 0.00 -1.56 0.00 0.00 34.95 29.56 1x0o s ARG 89 CO 0.07 -0.74 0.28 0.99 -0.81 0.00 0.00 175.30 175.09 1x0o s THR 90 N 1.45 5.30 -0.26 4.11 2.01 0.86 -2.22 115.64 126.89 1x0o s THR 90 Ca 0.01 0.52 -0.20 0.00 0.31 0.00 0.00 61.69 62.33 1x0o s THR 90 Cb -0.20 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 1x0o s THR 90 CO 0.04 0.45 0.60 -0.94 -0.69 0.00 0.00 174.62 174.08 1x0o s SER 91 N 0.02 6.54 -0.23 3.53 1.04 0.10 -0.42 113.70 124.30 1x0o s SER 91 Ca 0.17 0.65 -0.14 0.00 0.48 0.00 0.00 55.95 57.11 1x0o s SER 91 Cb -0.13 -2.32 -0.04 0.00 0.10 0.00 0.00 66.02 63.62 1x0o s SER 91 CO 0.05 -0.36 0.30 -0.44 0.98 0.00 0.00 173.24 173.77 1x0o s SER 92 N 1.50 6.28 -0.04 7.02 0.01 0.14 -2.35 113.70 126.26 1x0o s SER 92 Ca 0.25 0.32 0.04 0.00 1.31 0.00 0.00 55.95 57.87 1x0o s SER 92 Cb -0.15 -2.18 -0.00 0.00 0.21 0.00 0.00 66.02 63.90 1x0o s SER 92 CO 0.09 -0.03 -0.15 0.12 0.41 0.00 0.00 173.24 173.67 1x0o s PHE 93 N 1.31 1.56 -0.41 2.43 5.36 -0.38 -0.92 117.98 126.93 1x0o s PHE 93 Ca 0.14 -0.45 -0.19 0.00 -0.96 0.00 0.00 56.93 55.46 1x0o s PHE 93 Cb -0.14 -1.07 0.02 0.00 -0.34 0.00 0.00 43.02 41.49 1x0o s PHE 93 CO 0.07 -0.16 0.57 0.95 -1.46 0.00 0.00 175.22 175.19 1x0o s THR 94 N 0.11 4.92 -0.79 0.12 -4.23 -1.26 0.21 115.64 114.72 1x0o s THR 94 Ca -0.04 0.09 -0.25 0.00 -1.18 0.00 0.00 61.69 60.30 1x0o s THR 94 Cb -0.11 -4.11 -0.01 0.00 1.34 0.00 0.00 72.50 69.60 1x0o s THR 94 CO 0.02 -0.47 1.74 0.12 -0.54 0.00 0.00 174.62 175.49 1x0o s PHE 95 N 2.58 1.93 -0.05 3.99 5.36 -0.18 -4.22 117.98 127.40 1x0o s PHE 95 Ca 0.20 0.37 -0.27 0.00 -0.96 0.00 0.00 56.93 56.26 1x0o s PHE 95 Cb -0.15 -4.25 -0.03 0.00 -0.34 0.00 0.00 43.02 38.25 1x0o s PHE 95 CO 0.16 -2.03 0.87 -0.65 -1.46 0.00 0.00 175.22 172.11 1x0o s GLN 96 N 6.53 4.48 0.04 10.12 -0.21 -1.25 -0.98 119.66 138.39 1x0o s GLN 96 Ca 0.60 1.19 -0.30 0.00 0.02 0.00 0.00 55.36 56.86 1x0o s GLN 96 Cb -0.08 -3.47 -0.09 0.00 1.00 0.00 0.00 33.01 30.36 1x0o s GLN 96 CO 0.08 -0.06 1.96 -1.71 -2.12 0.00 0.00 175.29 173.44 1x0o n ASN 97 N 4.09 4.12 0.00 5.90 2.85 0.29 -4.84 115.26 127.68 1x0o n ASN 97 Ca 0.04 0.91 0.00 0.00 -0.11 0.00 0.00 54.58 55.42 1x0o n ASN 97 Cb 0.51 -1.52 0.00 0.00 1.24 0.00 0.00 39.78 40.01 1x0o n ASN 97 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1x0o n PRO 98 N 7.31 0.00 -0.12 1.20 -0.04 -1.26 -0.14 135.00 141.95 1x0o n PRO 98 Ca 0.20 0.40 -0.15 0.00 -0.04 0.00 0.00 63.50 63.91 1x0o n PRO 98 Cb 0.40 -1.52 -0.12 0.00 -0.04 0.00 0.00 33.50 32.21 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 -1.40 0.00 -2.08 0.54 4.02 -1.26 -4.79 117.16 112.19 1x0o n TYR 99 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1x0o n TYR 99 Cb 0.02 -0.95 0.00 0.00 -0.02 0.00 0.00 39.34 38.39 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 -3.08 0.11 0.00 7.72 2.88 -0.83 -5.01 113.62 115.41 1x0o n SER 100 Ca -0.40 -1.82 0.00 0.00 -1.33 0.00 0.00 58.87 55.31 1x0o n SER 100 Cb 1.01 -0.16 0.00 0.00 -0.75 0.00 0.00 64.21 64.31 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 0.08 -4.73 -4.76 -3.46 9.92 0.80 -4.90 116.55 109.50 1x0o n ASP 101 Ca -0.00 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 53.89 1x0o n ASP 101 Cb 0.74 -2.85 0.03 0.00 -0.64 0.00 0.00 41.12 38.39 1x0o n ASP 101 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1x0o s GLU 102 N -1.54 3.21 -0.61 -1.24 2.02 -1.26 -4.38 118.70 114.91 1x0o s GLU 102 Ca 0.00 1.93 -0.21 0.00 0.02 0.00 0.00 54.97 56.71 1x0o s GLU 102 Cb 0.00 -2.14 0.08 0.00 0.10 0.00 0.00 34.13 32.17 1x0o s GLU 102 CO 0.00 -1.04 0.83 0.42 0.02 0.00 0.00 175.26 175.49 1x0o s ILE 103 N -1.50 4.56 0.14 -1.63 -1.09 -1.26 0.11 121.20 120.53 1x0o s ILE 103 Ca 0.72 -0.56 -0.17 0.00 -2.23 0.00 0.00 60.65 58.41 1x0o s ILE 103 Cb -0.33 -4.56 -0.01 0.00 -1.58 0.00 0.00 42.46 35.98 1x0o s ILE 103 CO 0.37 -1.25 1.77 -0.33 -1.23 0.00 0.00 174.94 174.28 1x0o h GLU 104 N 9.35 0.30 0.00 2.79 4.39 -1.42 -3.48 114.58 126.51 1x0o h GLU 104 Ca -0.29 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.39 1x0o h GLU 104 Cb 1.08 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1x0o h GLU 104 CO 1.12 0.20 0.00 2.48 -1.16 0.00 0.00 179.01 181.66 1x0o n TYR 105 N -4.96 0.00 -3.93 4.33 0.18 -1.26 -4.85 117.16 106.67 1x0o n TYR 105 Ca -0.00 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.41 1x0o n TYR 105 Cb 0.08 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 38.97 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 -2.79 5.40 -0.32 -3.48 1.01 0.97 -1.01 121.20 120.98 1x0o s ILE 106 Ca 0.00 0.16 -0.06 0.00 0.00 0.00 0.00 60.65 60.75 1x0o s ILE 106 Cb 0.00 -3.35 0.03 0.00 0.01 0.00 0.00 42.46 39.15 1x0o s ILE 106 CO 0.00 0.61 0.07 -0.63 0.00 0.00 0.00 174.94 174.99 1x0o s ILE 107 N -1.03 3.65 -0.15 2.92 -1.09 0.13 -1.95 121.20 123.69 1x0o s ILE 107 Ca 0.15 -1.06 0.01 0.00 -2.23 0.00 0.00 60.65 57.53 1x0o s ILE 107 Cb -0.12 -3.01 0.02 0.00 -1.58 0.00 0.00 42.46 37.77 1x0o s ILE 107 CO 0.04 -0.08 -0.18 0.00 -1.23 0.00 0.00 174.94 173.49 1x0o s THR 109 N 1.18 5.12 -0.37 0.00 2.01 -0.99 -0.28 115.64 122.31 1x0o s THR 109 Ca 0.01 0.78 -0.11 0.00 0.31 0.00 0.00 61.69 62.67 1x0o s THR 109 Cb -0.14 -3.78 0.02 0.00 0.01 0.00 0.00 72.50 68.62 1x0o s THR 109 CO -0.08 0.14 0.21 0.20 -0.69 0.00 0.00 174.62 174.40 1x0o s ASN 110 N 1.46 5.75 -0.25 3.53 -0.87 0.90 -0.72 114.94 124.74 1x0o s ASN 110 Ca 0.19 -0.95 -0.00 0.00 -1.57 0.00 0.00 52.86 50.53 1x0o s ASN 110 Cb -0.16 -2.03 0.04 0.00 -0.02 0.00 0.00 41.25 39.08 1x0o s ASN 110 CO 0.09 -0.38 -0.08 -0.89 -2.57 0.00 0.00 177.10 173.28 1x0o s THR 111 N 1.57 2.63 -0.05 1.60 2.01 -0.94 -0.54 115.64 121.91 1x0o s THR 111 Ca 0.02 -1.23 -0.27 0.00 0.31 0.00 0.00 61.69 60.52 1x0o s THR 111 Cb -0.19 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 69.90 1x0o s THR 111 CO 0.07 0.13 0.85 0.21 -0.69 0.00 0.00 174.62 175.19 1x0o s ASN 112 N 1.25 7.16 0.00 3.53 3.84 -0.36 -0.09 114.94 130.28 1x0o s ASN 112 Ca -0.03 1.41 0.00 0.00 0.21 0.00 0.00 52.86 54.45 1x0o s ASN 112 Cb -0.18 -2.49 0.00 0.00 -0.55 0.00 0.00 41.25 38.03 1x0o s ASN 112 CO -0.05 -0.23 0.00 0.52 -2.79 0.00 0.00 177.10 174.55 1x0o n VAL 113 N 3.99 0.00 -2.30 -5.21 0.31 0.89 -4.87 118.33 111.14 1x0o n VAL 113 Ca 0.03 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.11 1x0o n VAL 113 Cb 0.51 -0.70 0.10 0.00 -0.91 0.00 0.00 33.84 32.84 1x0o n VAL 113 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1x0o s LYS 114 N 0.00 1.77 -0.16 5.55 1.02 -1.19 -4.95 119.74 121.77 1x0o s LYS 114 Ca 0.00 -0.59 0.17 0.00 0.02 0.00 0.00 55.97 55.57 1x0o s LYS 114 Cb 0.00 -2.18 0.39 0.00 -0.52 0.00 0.00 37.83 35.51 1x0o s LYS 114 CO 0.00 -1.48 1.26 -1.71 -0.92 0.00 0.00 175.35 172.49 1x0o n ASN 115 N -3.01 2.77 -0.65 2.83 4.05 -1.26 -1.14 115.26 118.85 1x0o n ASN 115 Ca 0.11 -3.18 0.08 0.00 0.45 0.00 0.00 54.58 52.05 1x0o n ASN 115 Cb 0.60 -0.49 -0.04 0.00 1.23 0.00 0.00 39.78 41.09 1x0o n ASN 115 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 1x0o n SER 116 N -1.12 -3.66 -3.52 1.20 2.88 -1.26 -4.31 113.62 103.83 1x0o n SER 116 Ca 0.19 0.61 -0.38 0.00 -1.33 0.00 0.00 58.87 57.95 1x0o n SER 116 Cb 0.75 -2.21 -0.02 0.00 -0.75 0.00 0.00 64.21 61.97 1x0o n SER 116 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x0o n SER 117 N -3.14 4.67 0.25 -3.46 3.41 -1.26 -4.63 113.62 109.47 1x0o n SER 117 Ca -0.04 -2.66 0.09 0.00 -0.26 0.00 0.00 58.87 56.00 1x0o n SER 117 Cb 0.31 -1.40 0.65 0.00 -0.26 0.00 0.00 64.21 63.51 1x0o n SER 117 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1x0o h GLN 118 N 6.36 0.00 0.00 4.33 5.75 -1.96 -3.55 115.11 126.04 1x0o h GLN 118 Ca 0.58 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.08 1x0o h GLN 118 Cb 0.50 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.05 1x0o h GLN 118 CO 1.82 0.08 0.00 -1.91 -2.65 0.00 0.00 178.83 176.17