#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 0.00 -3.52 4.61 0.00 -1.26 -5.05 120.51 115.29 1x0o n ALA 2 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1x0o n ALA 2 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 1x0o n ALA 2 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1x0o n MET 3 N -2.48 -7.26 0.00 0.00 1.56 -1.26 -4.85 117.12 102.84 1x0o n MET 3 Ca 0.00 0.84 0.00 0.00 -0.27 0.00 0.00 57.70 58.27 1x0o n MET 3 Cb 0.00 -5.87 0.00 0.00 2.15 0.00 0.00 33.22 29.50 1x0o n MET 3 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 1x0o n ASP 4 N -3.07 0.00 -3.19 6.12 2.03 -1.26 -5.03 116.55 112.15 1x0o n ASP 4 Ca -0.15 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 54.95 1x0o n ASP 4 Cb 0.62 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 41.02 1x0o n ASP 4 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1x0o n ASN 5 N -0.50 -3.94 -0.68 1.67 3.02 -1.26 -4.36 115.26 109.20 1x0o n ASN 5 Ca 0.00 -0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.27 1x0o n ASN 5 Cb 0.00 -3.27 0.00 0.00 -0.61 0.00 0.00 39.78 35.90 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 -3.90 -2.76 -1.61 2.41 0.31 -1.26 -4.80 118.33 106.72 1x0o n VAL 6 Ca -0.04 1.01 -0.45 0.00 -0.01 0.00 0.00 64.34 64.85 1x0o n VAL 6 Cb 0.56 -1.40 -0.04 0.00 -0.91 0.00 0.00 33.84 32.05 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 5.40 2.45 1.00 0.00 -1.52 -1.26 -5.13 119.66 120.60 1x0o s GLN 8 Ca 0.97 -1.16 -0.12 0.00 -1.95 0.00 0.00 55.36 53.11 1x0o s GLN 8 Cb -0.50 -2.35 0.19 0.00 -0.22 0.00 0.00 33.01 30.13 1x0o s GLN 8 CO 0.42 0.43 1.08 -2.14 -0.25 0.00 0.00 175.29 174.84 1x0o s PRO 9 N -3.18 0.41 -0.15 2.91 0.02 -1.26 -4.81 135.00 128.94 1x0o s PRO 9 Ca 0.29 1.03 0.03 0.00 0.02 0.00 0.00 61.00 62.38 1x0o s PRO 9 Cb -0.09 -1.69 0.30 0.00 0.02 0.00 0.00 34.50 33.04 1x0o s PRO 9 CO 0.20 -2.88 1.22 2.41 -0.33 0.00 0.00 177.00 177.62 1x0o n THR 10 N -4.35 1.57 -4.64 0.99 -1.04 -1.26 -4.24 114.28 101.31 1x0o n THR 10 Ca 0.07 -0.69 -0.24 0.00 -2.04 0.00 0.00 64.05 61.15 1x0o n THR 10 Cb 0.54 -0.62 -0.16 0.00 -1.82 0.00 0.00 70.33 68.27 1x0o n THR 10 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1x0o s GLU 11 N -1.51 1.44 0.01 -2.82 2.02 -1.26 -3.24 118.70 113.36 1x0o s GLU 11 Ca 0.23 -0.47 0.01 0.00 0.02 0.00 0.00 54.97 54.76 1x0o s GLU 11 Cb 0.19 -1.28 -0.01 0.00 0.10 0.00 0.00 34.13 33.12 1x0o s GLU 11 CO 0.05 0.18 -0.04 -0.59 0.02 0.00 0.00 175.26 174.88 1x0o s PHE 12 N 0.14 0.39 -0.20 1.61 -0.71 -0.93 -4.79 117.98 113.49 1x0o s PHE 12 Ca -0.04 -0.26 -0.08 0.00 -1.04 0.00 0.00 56.93 55.50 1x0o s PHE 12 Cb -0.11 -0.25 -0.04 0.00 -1.21 0.00 0.00 43.02 41.41 1x0o s PHE 12 CO 0.02 -0.06 0.09 0.42 -1.34 0.00 0.00 175.22 174.35 1x0o s ILE 13 N -0.68 4.90 -0.04 -4.49 1.01 -1.26 -0.30 121.20 120.34 1x0o s ILE 13 Ca -0.05 0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.63 1x0o s ILE 13 Cb -0.05 -3.24 0.01 0.00 0.01 0.00 0.00 42.46 39.19 1x0o s ILE 13 CO -0.00 0.42 -0.08 -0.44 0.00 0.00 0.00 174.94 174.83 1x0o s SER 14 N 0.67 1.29 -0.27 3.58 0.01 0.23 -1.92 113.70 117.29 1x0o s SER 14 Ca 0.05 -0.20 -0.10 0.00 1.31 0.00 0.00 55.95 57.00 1x0o s SER 14 Cb -0.13 -0.53 -0.05 0.00 0.21 0.00 0.00 66.02 65.52 1x0o s SER 14 CO 0.01 0.01 0.16 -0.13 0.41 0.00 0.00 173.24 173.71 1x0o s ARG 15 N 0.60 3.92 0.04 12.44 0.52 0.81 -0.35 118.95 136.93 1x0o s ARG 15 Ca -0.10 -0.34 0.02 0.00 -0.52 0.00 0.00 55.73 54.80 1x0o s ARG 15 Cb -0.13 -3.57 -0.02 0.00 0.52 0.00 0.00 34.95 31.74 1x0o s ARG 15 CO 0.01 -0.13 -0.08 -3.38 0.02 0.00 0.00 175.30 171.75 1x0o s HIS 16 N 1.57 0.70 0.65 -0.53 -3.43 0.81 -1.80 115.29 113.27 1x0o s HIS 16 Ca 0.07 -0.49 -0.14 0.00 -0.80 0.00 0.00 55.06 53.70 1x0o s HIS 16 Cb -0.15 -0.42 -0.01 0.00 -1.43 0.00 0.00 32.58 30.57 1x0o s HIS 16 CO 0.08 -0.07 1.07 1.21 -2.00 0.00 0.00 174.74 175.03 1x0o s ASN 17 N -1.56 5.43 0.65 7.38 2.47 0.11 -0.06 114.94 129.37 1x0o s ASN 17 Ca -0.09 1.78 0.29 0.00 0.42 0.00 0.00 52.86 55.26 1x0o s ASN 17 Cb -0.10 -2.52 1.58 0.00 -1.45 0.00 0.00 41.25 38.76 1x0o s ASN 17 CO 0.01 -1.41 1.90 0.16 -3.72 0.00 0.00 177.10 174.04 1x0o h ILE 18 N -0.13 0.07 0.00 -5.21 3.07 -1.88 0.88 117.51 114.30 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 1.22 0.65 0.00 0.00 -0.27 0.00 0.00 36.82 38.42 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 -3.46 114.58 114.35 1x0o h GLU 19 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1x0o h GLU 19 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 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 0.05 0.90 3.64 -3.84 0.00 0.30 -4.87 105.19 101.38 1x0o n GLY 20 Ca 0.01 0.00 -0.42 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 4.82 0.07 -0.61 -1.09 -0.96 -1.40 121.20 120.03 1x0o s ILE 21 Ca 0.00 1.62 -0.31 0.00 -2.23 0.00 0.00 60.65 59.73 1x0o s ILE 21 Cb 0.00 -4.14 -0.06 0.00 -1.58 0.00 0.00 42.46 36.68 1x0o s ILE 21 CO 0.00 -0.08 1.23 -0.36 -1.23 0.00 0.00 174.94 174.50 1x0o s PHE 22 N 2.87 3.41 0.00 3.97 0.08 -0.96 0.08 117.98 127.43 1x0o s PHE 22 Ca 0.36 1.25 0.00 0.00 0.12 0.00 0.00 56.93 58.65 1x0o s PHE 22 Cb -0.15 -3.46 0.00 0.00 -0.57 0.00 0.00 43.02 38.83 1x0o s PHE 22 CO 0.07 -1.46 0.00 -2.37 -0.10 0.00 0.00 175.22 171.36 1x0o n THR 23 N 3.89 0.00 -3.68 0.64 5.66 -0.97 -1.24 114.28 118.58 1x0o n THR 23 Ca 0.09 -0.15 -0.11 0.00 -3.05 0.00 0.00 64.05 60.84 1x0o n THR 23 Cb 0.46 0.64 -0.11 0.00 -1.55 0.00 0.00 70.33 69.76 1x0o n THR 23 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 1x0o s PHE 24 N -1.61 -0.57 -0.02 1.09 5.36 -0.74 -4.99 117.98 116.50 1x0o s PHE 24 Ca 0.00 1.19 0.04 0.00 -0.96 0.00 0.00 56.93 57.21 1x0o s PHE 24 Cb 0.00 0.16 -0.01 0.00 -0.34 0.00 0.00 43.02 42.83 1x0o s PHE 24 CO 0.00 -0.37 -0.14 0.08 -1.46 0.00 0.00 175.22 173.33 1x0o s VAL 25 N 1.99 1.16 0.35 3.12 1.01 -1.26 -0.14 120.40 126.64 1x0o s VAL 25 Ca -0.04 -0.61 -0.19 0.00 0.00 0.00 0.00 61.98 61.13 1x0o s VAL 25 Cb -0.11 -0.97 -0.10 0.00 0.00 0.00 0.00 36.38 35.20 1x0o s VAL 25 CO -0.11 0.33 0.85 -0.62 0.00 0.00 0.00 175.10 175.55 1x0o s ASP 26 N -0.25 6.95 0.60 3.32 2.15 -0.81 -4.68 116.67 123.95 1x0o s ASP 26 Ca 0.04 1.53 0.38 0.00 0.43 0.00 0.00 52.55 54.94 1x0o s ASP 26 Cb -0.07 -2.47 2.09 0.00 -0.30 0.00 0.00 42.92 42.17 1x0o s ASP 26 CO -0.00 -0.22 2.18 0.45 -0.17 0.00 0.00 175.17 177.40 1x0o h HIS 27 N 2.37 0.00 0.00 -5.34 3.86 -1.94 -1.65 115.15 112.44 1x0o h HIS 27 Ca -0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 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 -2.89 0.03 -0.04 2.45 1.74 -1.26 -1.95 116.66 114.75 1x0o n ARG 28 Ca -0.03 0.33 0.04 0.00 -0.77 0.00 0.00 57.85 57.43 1x0o n ARG 28 Cb 0.10 -1.50 0.41 0.00 -1.02 0.00 0.00 32.46 30.45 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 0.60 1.25 0.05 0.00 -1.51 -0.61 -1.17 116.25 114.87 1x0o h VAL 30 Ca 0.18 -1.17 -0.10 0.00 -1.23 0.00 0.00 66.70 64.38 1x0o h VAL 30 Cb -0.00 1.11 0.01 0.00 -2.13 0.00 0.00 31.29 30.28 1x0o h VAL 30 CO -0.04 0.39 -0.43 0.00 -1.23 0.00 0.00 177.57 176.26 1x0o h ALA 31 N 1.23 -0.02 -0.07 5.19 0.00 -1.68 -0.49 119.26 123.42 1x0o h ALA 31 Ca 0.10 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1x0o h ALA 31 Cb 0.59 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1x0o h ALA 31 CO 0.04 0.20 0.03 1.15 0.00 0.00 0.00 179.25 180.67 1x0o h THR 32 N -0.56 1.00 0.00 0.00 2.02 -1.38 -3.40 112.91 110.58 1x0o h THR 32 Ca -0.07 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1x0o h THR 32 Cb 1.28 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 1x0o h THR 32 CO 0.08 0.01 -0.52 1.33 0.37 0.00 0.00 175.52 176.79 1x0o n VAL 33 N -5.06 0.00 0.00 3.16 0.24 -0.49 -5.02 118.33 111.15 1x0o n VAL 33 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 1x0o n VAL 33 Cb 0.04 0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.53 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 1.40 2.74 3.78 7.63 0.00 -0.19 0.67 105.19 121.22 1x0o n GLY 34 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.48 2.81 0.16 1.61 2.02 -1.24 -4.70 117.35 115.54 1x0o s TYR 35 Ca 0.00 1.56 0.01 0.00 -0.37 0.00 0.00 57.07 58.26 1x0o s TYR 35 Cb 0.00 -3.18 -0.04 0.00 -0.40 0.00 0.00 41.96 38.34 1x0o s TYR 35 CO 0.00 -1.26 0.32 -0.65 -1.57 0.00 0.00 175.55 172.39 1x0o s GLN 36 N -3.34 3.48 0.25 -0.62 -1.52 -1.26 -1.54 119.66 115.11 1x0o s GLN 36 Ca 0.70 -0.46 -0.09 0.00 -1.95 0.00 0.00 55.36 53.56 1x0o s GLN 36 Cb -0.20 -2.92 0.40 0.00 -0.22 0.00 0.00 33.01 30.06 1x0o s GLN 36 CO 0.25 0.48 1.59 -1.35 -0.25 0.00 0.00 175.29 176.02 1x0o h PRO 37 N 2.24 0.01 -0.93 2.91 0.11 -1.83 0.10 132.00 134.60 1x0o h PRO 37 Ca -0.48 -0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.75 1x0o h PRO 37 Cb 1.19 -0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.21 1x0o h PRO 37 CO 0.70 0.01 0.56 1.96 -0.21 0.00 0.00 178.00 181.01 1x0o h GLN 38 N 0.01 0.86 -0.12 1.05 1.08 -1.94 -2.28 115.11 113.77 1x0o h GLN 38 Ca 0.42 -0.05 -0.05 0.00 -1.45 0.00 0.00 58.65 57.52 1x0o h GLN 38 Cb 0.67 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.89 1x0o h GLN 38 CO -0.86 0.57 -0.13 0.93 -0.95 0.00 0.00 178.83 178.39 1x0o h GLU 39 N 0.89 0.19 0.00 1.46 4.39 -1.18 -2.07 114.58 118.27 1x0o h GLU 39 Ca 0.47 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 60.05 1x0o h GLU 39 Cb 0.49 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1x0o h GLU 39 CO -0.28 0.33 -1.13 -0.07 -1.16 0.00 0.00 179.01 176.71 1x0o h LEU 40 N 0.18 0.00 -8.82 1.33 3.38 -1.31 -3.43 115.31 106.64 1x0o h LEU 40 Ca 0.04 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.47 1x0o h LEU 40 Cb 0.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1x0o h LEU 40 CO 0.02 0.27 1.50 -0.76 0.09 0.00 0.00 178.44 179.56 1x0o s LEU 41 N -5.61 3.43 0.00 1.67 1.43 -0.78 -0.68 118.68 118.13 1x0o s LEU 41 Ca -0.01 1.45 0.00 0.00 -1.03 0.00 0.00 54.13 54.54 1x0o s LEU 41 Cb 0.09 -3.14 0.00 0.00 0.03 0.00 0.00 46.19 43.17 1x0o s LEU 41 CO 0.79 -2.24 0.00 0.61 0.23 0.00 0.00 176.35 175.75 1x0o n GLY 42 N 5.79 0.52 3.60 -3.19 0.00 -0.37 -5.00 105.19 106.53 1x0o n GLY 42 Ca 0.30 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.67 2.19 0.21 1.61 1.02 0.14 -4.90 119.74 119.34 1x0o s LYS 43 Ca 0.00 -1.04 -0.17 0.00 0.02 0.00 0.00 55.97 54.79 1x0o s LYS 43 Cb 0.00 -2.32 -0.08 0.00 -0.52 0.00 0.00 37.83 34.91 1x0o s LYS 43 CO 0.00 0.50 0.66 1.21 -0.92 0.00 0.00 175.35 176.80 1x0o s ASN 44 N -2.35 6.91 0.50 2.83 3.84 -1.26 -2.25 114.94 123.16 1x0o s ASN 44 Ca 0.23 1.26 0.20 0.00 0.21 0.00 0.00 52.86 54.75 1x0o s ASN 44 Cb -0.11 -2.36 1.29 0.00 -0.55 0.00 0.00 41.25 39.52 1x0o s ASN 44 CO 0.15 0.01 2.09 -0.29 -2.79 0.00 0.00 177.10 176.27 1x0o h ILE 45 N 2.60 0.90 0.00 -5.21 2.10 -1.57 -1.37 117.51 114.95 1x0o h ILE 45 Ca -0.48 -0.35 -0.03 0.00 1.08 0.00 0.00 64.86 65.08 1x0o h ILE 45 Cb 1.19 1.20 -0.00 0.00 -1.09 0.00 0.00 36.82 38.11 1x0o h ILE 45 CO 0.66 0.09 -0.13 1.62 -1.08 0.00 0.00 178.15 179.31 1x0o h VAL 46 N 0.00 0.30 -0.67 2.19 3.04 -1.90 -1.58 116.25 117.63 1x0o h VAL 46 Ca -0.00 -0.91 -0.08 0.00 -1.01 0.00 0.00 66.70 64.70 1x0o h VAL 46 Cb 0.19 1.71 -0.03 0.00 -2.01 0.00 0.00 31.29 31.16 1x0o h VAL 46 CO 0.01 0.12 0.12 -0.33 -1.01 0.00 0.00 177.57 176.48 1x0o h GLU 47 N 0.00 1.09 -0.46 4.17 4.39 -1.64 -2.55 114.58 119.59 1x0o h GLU 47 Ca -0.00 -0.28 -0.03 0.00 0.34 0.00 0.00 59.36 59.39 1x0o h GLU 47 Cb 0.70 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 1x0o h GLU 47 CO 0.02 0.99 0.03 1.19 -1.16 0.00 0.00 179.01 180.08 1x0o n PHE 48 N -4.22 1.63 -3.61 4.33 3.72 -1.05 -4.91 117.46 113.35 1x0o n PHE 48 Ca 0.05 -0.87 -0.36 0.00 -0.05 0.00 0.00 57.45 56.21 1x0o n PHE 48 Cb 0.28 -0.45 -0.08 0.00 -0.94 0.00 0.00 39.48 38.30 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 3.63 1.77 0.02 0.00 -0.00 -0.91 -4.72 115.22 115.01 1x0o n HIS 50 Ca -0.13 0.57 0.22 0.00 0.46 0.00 0.00 57.72 58.84 1x0o n HIS 50 Cb 0.52 -2.40 0.65 0.00 -0.12 0.00 0.00 29.99 28.64 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 5.79 0.00 0.00 1.57 0.11 -1.93 0.58 132.00 138.12 1x0o h PRO 51 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1x0o h PRO 51 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1x0o h PRO 51 CO 0.86 0.00 -0.40 0.39 -0.21 0.00 0.00 178.00 178.64 1x0o n GLU 52 N -3.50 0.01 0.00 1.05 1.02 -1.26 -3.75 120.64 114.21 1x0o n GLU 52 Ca 0.11 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.30 1x0o n GLU 52 Cb 0.89 -1.51 0.01 0.00 -0.02 0.00 0.00 31.44 30.81 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 -1.52 1.28 -0.16 1.62 8.00 0.20 -4.64 116.55 121.33 1x0o n ASP 53 Ca 0.06 -1.14 -0.07 0.00 0.71 0.00 0.00 54.79 54.35 1x0o n ASP 53 Cb 0.34 0.35 0.02 0.00 -0.02 0.00 0.00 41.12 41.80 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 1.17 0.62 -0.26 -1.24 4.20 -1.51 0.36 115.11 118.46 1x0o h GLN 54 Ca 0.00 -0.04 -0.13 0.00 0.06 0.00 0.00 58.65 58.54 1x0o h GLN 54 Cb 0.32 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1x0o h GLN 54 CO 0.00 0.41 -0.39 0.37 -0.67 0.00 0.00 178.83 178.55 1x0o h GLN 55 N 0.64 0.59 -0.85 1.46 5.75 -1.82 -1.52 115.11 119.36 1x0o h GLN 55 Ca 0.18 -0.30 0.03 0.00 -0.15 0.00 0.00 58.65 58.41 1x0o h GLN 55 Cb -0.06 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.44 1x0o h GLN 55 CO -0.05 0.88 0.55 1.25 -2.65 0.00 0.00 178.83 178.82 1x0o h LEU 56 N 0.49 0.92 -0.20 -2.39 5.85 -1.62 0.15 115.31 118.51 1x0o h LEU 56 Ca 0.05 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1x0o h LEU 56 Cb 0.89 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1x0o h LEU 56 CO 0.08 0.63 0.03 -0.07 -0.34 0.00 0.00 178.44 178.78 1x0o h LEU 57 N 1.08 0.31 0.18 2.25 3.38 -0.70 -2.48 115.31 119.32 1x0o h LEU 57 Ca 0.34 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1x0o h LEU 57 Cb -0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1x0o h LEU 57 CO -0.11 0.49 -0.16 0.03 0.09 0.00 0.00 178.44 178.77 1x0o h ARG 58 N 0.12 -0.35 -0.69 1.13 3.08 -0.61 0.22 114.38 117.29 1x0o h ARG 58 Ca 0.06 0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.23 1x0o h ARG 58 Cb 0.31 0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.36 1x0o h ARG 58 CO 0.00 -0.23 0.33 0.22 -1.07 0.00 0.00 179.97 179.22 1x0o h ASP 59 N -0.36 0.41 0.53 7.04 3.58 -0.77 0.11 116.42 126.96 1x0o h ASP 59 Ca -0.00 0.06 -0.21 0.00 0.42 0.00 0.00 57.03 57.30 1x0o h ASP 59 Cb 0.34 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 1x0o h ASP 59 CO -0.03 0.24 -0.91 0.28 -2.88 0.00 0.00 179.24 175.93 1x0o h SER 60 N 0.56 0.33 0.24 2.28 0.02 -1.12 -2.28 113.55 113.59 1x0o h SER 60 Ca 0.34 -0.27 -0.11 0.00 -0.84 0.00 0.00 61.79 60.91 1x0o h SER 60 Cb 0.37 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1x0o h SER 60 CO -0.27 1.08 -0.43 -0.26 -1.14 0.00 0.00 176.83 175.80 1x0o h PHE 61 N 0.14 0.29 -0.50 3.45 0.04 0.12 -1.11 116.94 119.37 1x0o h PHE 61 Ca -0.06 -0.08 -0.07 0.00 2.80 0.00 0.00 57.97 60.56 1x0o h PHE 61 Cb 1.55 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 39.61 1x0o h PHE 61 CO 0.04 0.64 0.01 1.96 -0.60 0.00 0.00 178.31 180.36 1x0o h GLN 62 N 0.20 0.83 0.00 1.51 1.08 -0.64 -2.55 115.11 115.54 1x0o h GLN 62 Ca 0.02 -0.22 -0.13 0.00 -1.45 0.00 0.00 58.65 56.86 1x0o h GLN 62 Cb 0.85 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 28.16 1x0o h GLN 62 CO 0.07 0.82 -0.62 1.96 -0.95 0.00 0.00 178.83 180.11 1x0o h GLN 63 N 0.77 0.00 0.00 1.46 4.20 -0.82 0.27 115.11 120.99 1x0o h GLN 63 Ca 0.15 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.78 1x0o h GLN 63 Cb 0.45 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1x0o h GLN 63 CO 0.02 0.62 -0.39 -0.24 -0.67 0.00 0.00 178.83 178.17 1x0o h VAL 64 N 0.00 0.88 0.00 -0.54 3.04 -1.04 0.44 116.25 119.03 1x0o h VAL 64 Ca -0.01 -1.59 -0.14 0.00 -1.01 0.00 0.00 66.70 63.95 1x0o h VAL 64 Cb 1.17 1.97 -0.02 0.00 -2.01 0.00 0.00 31.29 32.41 1x0o h VAL 64 CO 0.08 0.38 -0.68 0.58 -1.01 0.00 0.00 177.57 176.92 1x0o h VAL 65 N 0.00 1.36 0.00 1.51 2.07 -1.02 0.13 116.25 120.30 1x0o h VAL 65 Ca -0.00 -2.44 -0.08 0.00 0.82 0.00 0.00 66.70 65.00 1x0o h VAL 65 Cb 0.94 2.36 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 1x0o h VAL 65 CO 0.05 0.67 -0.37 0.11 0.02 0.00 0.00 177.57 178.05 1x0o h LYS 66 N 0.00 0.00 0.00 1.57 1.57 -0.13 -3.33 116.57 116.25 1x0o h LYS 66 Ca -0.01 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 1x0o h LYS 66 Cb 1.31 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.60 1x0o h LYS 66 CO 0.09 0.37 -0.61 -0.07 -0.57 0.00 0.00 179.45 178.66 1x0o h LEU 67 N 0.00 0.00 -2.17 2.94 3.38 -0.05 -3.50 115.31 115.90 1x0o h LEU 67 Ca -0.00 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1x0o h LEU 67 Cb 1.21 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.89 1x0o h LEU 67 CO 0.05 1.16 -1.18 0.29 0.09 0.00 0.00 178.44 178.85 1x0o n LYS 68 N -4.54 -3.67 0.00 1.13 5.02 0.45 -4.41 118.16 112.14 1x0o n LYS 68 Ca -0.19 2.88 0.00 0.00 -2.02 0.00 0.00 58.31 58.98 1x0o n LYS 68 Cb 0.52 -4.78 0.00 0.00 -0.02 0.00 0.00 35.03 30.75 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 1.10 1.06 3.82 0.72 0.00 -1.23 -4.99 105.19 105.68 1x0o n GLY 69 Ca -0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.74 3.95 -0.16 1.61 1.11 -1.26 -4.89 119.66 119.27 1x0o s GLN 70 Ca 0.00 0.33 -0.29 0.00 0.01 0.00 0.00 55.36 55.40 1x0o s GLN 70 Cb 0.00 -3.26 -0.01 0.00 -1.01 0.00 0.00 33.01 28.73 1x0o s GLN 70 CO 0.00 0.60 1.19 0.54 0.01 0.00 0.00 175.29 177.63 1x0o s VAL 71 N -0.73 4.39 -0.29 1.09 0.11 -1.26 -4.57 120.40 119.14 1x0o s VAL 71 Ca 0.22 1.69 -0.06 0.00 -2.93 0.00 0.00 61.98 60.89 1x0o s VAL 71 Cb -0.16 -4.09 0.01 0.00 -1.53 0.00 0.00 36.38 30.62 1x0o s VAL 71 CO 0.11 -0.12 0.07 -0.22 -3.33 0.00 0.00 175.10 171.61 1x0o s LEU 72 N 3.16 3.81 -0.25 2.54 1.98 0.18 -4.86 118.68 125.24 1x0o s LEU 72 Ca 0.52 -0.72 -0.18 0.00 -2.89 0.00 0.00 54.13 50.85 1x0o s LEU 72 Cb -0.20 -1.86 -0.03 0.00 0.66 0.00 0.00 46.19 44.75 1x0o s LEU 72 CO 0.14 -0.19 0.53 -0.44 -1.89 0.00 0.00 176.35 174.50 1x0o s SER 73 N 1.49 6.48 -0.02 3.68 0.01 -1.26 0.02 113.70 124.10 1x0o s SER 73 Ca 0.02 0.58 0.03 0.00 1.31 0.00 0.00 55.95 57.90 1x0o s SER 73 Cb -0.17 -2.29 -0.00 0.00 0.21 0.00 0.00 66.02 63.77 1x0o s SER 73 CO 0.02 -0.28 -0.10 0.54 0.41 0.00 0.00 173.24 173.84 1x0o s VAL 74 N 2.19 0.82 -0.11 3.43 0.11 -0.71 -4.98 120.40 121.15 1x0o s VAL 74 Ca 0.23 -0.40 0.02 0.00 -2.93 0.00 0.00 61.98 58.90 1x0o s VAL 74 Cb -0.16 -0.71 -0.01 0.00 -1.53 0.00 0.00 36.38 33.98 1x0o s VAL 74 CO 0.09 0.25 -0.19 -0.32 -3.33 0.00 0.00 175.10 171.59 1x0o s MET 75 N 0.03 3.17 0.37 1.54 1.75 -1.26 -0.20 119.30 124.70 1x0o s MET 75 Ca -0.01 -0.79 -0.07 0.00 -1.25 0.00 0.00 55.69 53.57 1x0o s MET 75 Cb -0.07 -2.44 0.03 0.00 2.84 0.00 0.00 34.83 35.19 1x0o s MET 75 CO 0.00 0.21 0.61 -0.59 -0.65 0.00 0.00 175.02 174.60 1x0o s PHE 76 N 0.31 0.71 -0.42 4.11 -0.71 -0.15 -4.98 117.98 116.85 1x0o s PHE 76 Ca -0.15 -1.12 -0.12 0.00 -1.04 0.00 0.00 56.93 54.50 1x0o s PHE 76 Cb -0.17 0.30 0.06 0.00 -1.21 0.00 0.00 43.02 42.00 1x0o s PHE 76 CO 0.07 -1.34 0.29 1.03 -1.34 0.00 0.00 175.22 173.94 1x0o s ARG 77 N -2.65 2.79 0.14 1.99 0.52 -1.25 -0.78 118.95 119.70 1x0o s ARG 77 Ca 0.25 -1.32 -0.23 0.00 -0.52 0.00 0.00 55.73 53.91 1x0o s ARG 77 Cb -0.02 -3.89 -0.08 0.00 0.52 0.00 0.00 34.95 31.48 1x0o s ARG 77 CO 0.17 -0.91 0.70 0.12 0.02 0.00 0.00 175.30 175.40 1x0o s PHE 78 N 1.53 3.84 -0.34 -0.53 2.19 0.72 -2.14 117.98 123.26 1x0o s PHE 78 Ca 0.03 1.48 -0.29 0.00 0.33 0.00 0.00 56.93 58.48 1x0o s PHE 78 Cb -0.22 -2.66 0.01 0.00 -1.31 0.00 0.00 43.02 38.85 1x0o s PHE 78 CO 0.05 0.52 1.16 0.50 1.83 0.00 0.00 175.22 179.28 1x0o s ARG 79 N -1.24 3.96 1.08 10.12 3.52 -0.01 -0.47 118.95 135.91 1x0o s ARG 79 Ca 0.34 1.04 -0.12 0.00 -0.13 0.00 0.00 55.73 56.86 1x0o s ARG 79 Cb -0.21 -3.81 0.24 0.00 -1.56 0.00 0.00 34.95 29.61 1x0o s ARG 79 CO 0.23 -1.05 1.06 0.45 -0.81 0.00 0.00 175.30 175.18 1x0o s SER 80 N 2.14 1.78 0.48 -2.12 0.15 0.86 -4.83 113.70 112.16 1x0o s SER 80 Ca 0.49 1.44 0.32 0.00 0.70 0.00 0.00 55.95 58.91 1x0o s SER 80 Cb -0.13 -2.16 1.56 0.00 -1.71 0.00 0.00 66.02 63.58 1x0o s SER 80 CO 0.20 -3.69 1.98 0.50 1.20 0.00 0.00 173.24 173.43 1x0o h LYS 81 N -2.27 0.00 -0.01 5.44 1.63 -0.06 0.34 116.57 121.64 1x0o h LYS 81 Ca -0.57 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.23 1x0o h LYS 81 Cb 1.33 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.96 1x0o h LYS 81 CO 0.53 0.00 -0.06 0.09 -3.45 0.00 0.00 179.45 176.55 1x0o n ASN 82 N -2.75 0.84 -1.17 4.20 3.02 -1.26 -4.88 115.26 113.26 1x0o n ASN 82 Ca -0.01 -1.06 -0.13 0.00 -0.03 0.00 0.00 54.58 53.36 1x0o n ASN 82 Cb 0.17 -0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.30 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 -0.49 -0.94 -2.05 3.52 1.13 0.12 -5.02 117.38 113.64 1x0o n GLN 83 Ca 0.18 0.82 -0.28 0.00 -1.94 0.00 0.00 57.00 55.78 1x0o n GLN 83 Cb 0.28 -4.93 0.11 0.00 0.11 0.00 0.00 30.24 25.81 1x0o n GLN 83 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1x0o s GLU 84 N -3.69 1.68 -0.38 -1.09 0.41 -1.26 -4.78 118.70 109.59 1x0o s GLU 84 Ca 0.00 -0.22 0.01 0.00 -0.41 0.00 0.00 54.97 54.35 1x0o s GLU 84 Cb 0.00 -2.02 0.12 0.00 -1.78 0.00 0.00 34.13 30.45 1x0o s GLU 84 CO 0.00 -1.68 0.16 -1.58 -0.49 0.00 0.00 175.26 171.67 1x0o s TRP 85 N -3.52 2.21 0.27 1.61 0.52 -1.26 -0.10 118.94 118.68 1x0o s TRP 85 Ca 0.65 -2.30 0.01 0.00 0.02 0.00 0.00 56.10 54.48 1x0o s TRP 85 Cb -0.09 -2.03 -0.04 0.00 -1.15 0.00 0.00 33.47 30.16 1x0o s TRP 85 CO 0.48 -0.84 0.45 -0.48 0.02 0.00 0.00 176.95 176.58 1x0o s LEU 86 N 0.86 4.16 -0.54 2.99 0.05 0.38 -4.57 118.68 122.01 1x0o s LEU 86 Ca 0.14 0.35 -0.28 0.00 0.05 0.00 0.00 54.13 54.39 1x0o s LEU 86 Cb -0.21 -3.17 0.01 0.00 -2.05 0.00 0.00 46.19 40.77 1x0o s LEU 86 CO -0.10 -0.15 1.45 0.26 -0.55 0.00 0.00 176.35 177.25 1x0o s TRP 87 N -2.08 2.25 -0.06 3.48 0.52 -1.26 -0.20 118.94 121.58 1x0o s TRP 87 Ca 0.38 0.50 0.05 0.00 0.02 0.00 0.00 56.10 57.06 1x0o s TRP 87 Cb -0.10 -4.36 -0.01 0.00 -1.15 0.00 0.00 33.47 27.85 1x0o s TRP 87 CO 0.32 -2.02 -0.22 1.41 0.02 0.00 0.00 176.95 176.45 1x0o s MET 88 N 5.54 2.43 -0.35 4.98 1.75 0.04 -0.95 119.30 132.74 1x0o s MET 88 Ca 0.55 -0.81 -0.06 0.00 -1.25 0.00 0.00 55.69 54.11 1x0o s MET 88 Cb -0.11 -2.01 0.05 0.00 2.84 0.00 0.00 34.83 35.59 1x0o s MET 88 CO 0.26 0.29 0.12 0.50 -0.65 0.00 0.00 175.02 175.54 1x0o s ARG 89 N 0.03 2.59 -0.12 4.11 3.52 0.67 -0.98 118.95 128.77 1x0o s ARG 89 Ca -0.07 -1.23 -0.16 0.00 -0.13 0.00 0.00 55.73 54.14 1x0o s ARG 89 Cb -0.14 -3.49 -0.05 0.00 -1.56 0.00 0.00 34.95 29.71 1x0o s ARG 89 CO 0.04 -0.70 0.39 0.99 -0.81 0.00 0.00 175.30 175.21 1x0o s THR 90 N 1.39 5.23 -0.40 4.11 2.01 0.72 -2.02 115.64 126.68 1x0o s THR 90 Ca -0.01 0.76 -0.22 0.00 0.31 0.00 0.00 61.69 62.53 1x0o s THR 90 Cb -0.20 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.60 1x0o s THR 90 CO 0.02 0.38 0.74 -0.44 -0.69 0.00 0.00 174.62 174.63 1x0o s SER 91 N 0.37 6.45 -0.11 3.53 0.01 0.99 -1.74 113.70 123.20 1x0o s SER 91 Ca 0.22 0.08 -0.20 0.00 1.31 0.00 0.00 55.95 57.36 1x0o s SER 91 Cb -0.14 -2.37 -0.04 0.00 0.21 0.00 0.00 66.02 63.68 1x0o s SER 91 CO 0.08 -0.77 0.55 -0.44 0.41 0.00 0.00 173.24 173.07 1x0o s SER 92 N 1.95 6.76 -0.04 2.44 0.01 0.10 -2.04 113.70 122.89 1x0o s SER 92 Ca 0.28 0.91 0.03 0.00 1.31 0.00 0.00 55.95 58.48 1x0o s SER 92 Cb -0.13 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.78 1x0o s SER 92 CO 0.19 -0.06 -0.13 0.12 0.41 0.00 0.00 173.24 173.77 1x0o s PHE 93 N 0.82 1.31 -0.37 2.43 2.19 -0.62 -0.65 117.98 123.09 1x0o s PHE 93 Ca 0.29 -0.36 -0.12 0.00 0.33 0.00 0.00 56.93 57.07 1x0o s PHE 93 Cb -0.16 -0.91 0.01 0.00 -1.31 0.00 0.00 43.02 40.66 1x0o s PHE 93 CO 0.12 -0.14 0.22 0.95 1.83 0.00 0.00 175.22 178.21 1x0o s THR 94 N 0.16 4.84 -0.30 0.12 -4.23 -1.26 -0.01 115.64 114.96 1x0o s THR 94 Ca -0.04 -0.64 -0.29 0.00 -1.18 0.00 0.00 61.69 59.54 1x0o s THR 94 Cb -0.10 -3.62 0.01 0.00 1.34 0.00 0.00 72.50 70.13 1x0o s THR 94 CO 0.01 -0.16 1.12 0.12 -0.54 0.00 0.00 174.62 175.17 1x0o s PHE 95 N 1.62 3.07 0.04 3.99 5.36 -0.46 -3.50 117.98 128.10 1x0o s PHE 95 Ca 0.04 1.16 -0.03 0.00 -0.96 0.00 0.00 56.93 57.14 1x0o s PHE 95 Cb -0.18 -3.68 -0.04 0.00 -0.34 0.00 0.00 43.02 38.77 1x0o s PHE 95 CO 0.08 -0.95 0.23 -0.65 -1.46 0.00 0.00 175.22 172.46 1x0o s GLN 96 N 3.69 3.48 -0.43 10.12 -0.21 -1.26 -0.84 119.66 134.21 1x0o s GLN 96 Ca 0.48 -0.30 -0.25 0.00 0.02 0.00 0.00 55.36 55.30 1x0o s GLN 96 Cb -0.14 -3.05 0.02 0.00 1.00 0.00 0.00 33.01 30.85 1x0o s GLN 96 CO 0.16 0.62 0.91 1.21 -2.12 0.00 0.00 175.29 176.08 1x0o s ASN 97 N -2.17 6.54 0.00 5.90 2.47 0.97 -4.90 114.94 123.76 1x0o s ASN 97 Ca 0.32 0.23 0.08 0.00 0.42 0.00 0.00 52.86 53.91 1x0o s ASN 97 Cb -0.13 -2.45 0.48 0.00 -1.45 0.00 0.00 41.25 37.70 1x0o s ASN 97 CO 0.22 -0.99 0.89 -0.81 -3.72 0.00 0.00 177.10 172.70 1x0o n PRO 98 N 7.03 0.31 -0.09 0.43 -0.04 -1.26 -0.23 135.00 141.15 1x0o n PRO 98 Ca 0.06 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.59 1x0o n PRO 98 Cb 0.48 -1.40 0.11 0.00 -0.04 0.00 0.00 33.50 32.65 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 -0.90 0.23 -1.87 0.54 4.02 -1.26 -4.65 117.16 113.27 1x0o n TYR 99 Ca 0.06 -0.19 0.00 0.00 -0.01 0.00 0.00 57.90 57.76 1x0o n TYR 99 Cb 0.03 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.34 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 0.78 0.00 -2.13 7.72 2.88 -0.28 -5.00 113.62 117.58 1x0o n SER 100 Ca 0.11 -0.97 -0.10 0.00 -1.33 0.00 0.00 58.87 56.58 1x0o n SER 100 Cb 0.40 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.84 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 -3.05 -4.93 -3.46 9.92 0.68 -4.95 116.55 110.77 1x0o n ASP 101 Ca 0.00 0.26 -0.25 0.00 -0.53 0.00 0.00 54.79 54.26 1x0o n ASP 101 Cb 0.24 -2.71 -0.01 0.00 -0.64 0.00 0.00 41.12 38.00 1x0o n ASP 101 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 1x0o s GLU 102 N -4.42 3.51 -0.24 -1.24 -1.05 -1.24 -4.83 118.70 109.19 1x0o s GLU 102 Ca 0.00 -0.14 -0.09 0.00 -0.15 0.00 0.00 54.97 54.59 1x0o s GLU 102 Cb 0.00 -2.57 -0.04 0.00 -0.44 0.00 0.00 34.13 31.08 1x0o s GLU 102 CO 0.00 0.03 0.12 0.42 0.95 0.00 0.00 175.26 176.78 1x0o s ILE 103 N -2.45 4.90 -0.06 1.83 1.01 -1.26 -0.02 121.20 125.15 1x0o s ILE 103 Ca 0.43 0.02 -0.14 0.00 0.00 0.00 0.00 60.65 60.96 1x0o s ILE 103 Cb -0.10 -3.28 -0.30 0.00 0.01 0.00 0.00 42.46 38.79 1x0o s ILE 103 CO 0.39 0.35 0.69 -0.33 0.00 0.00 0.00 174.94 176.03 1x0o h GLU 104 N 7.74 0.37 -2.31 2.79 5.08 -1.34 -3.48 114.58 123.43 1x0o h GLU 104 Ca -0.37 -0.63 0.24 0.00 -1.00 0.00 0.00 59.36 57.60 1x0o h GLU 104 Cb 1.18 0.23 -0.05 0.00 0.50 0.00 0.00 28.75 30.61 1x0o h GLU 104 CO 0.62 1.30 0.72 1.52 -1.00 0.00 0.00 179.01 182.17 1x0o s TYR 105 N -2.54 0.04 -0.04 4.33 -0.85 -1.25 -4.78 117.35 112.26 1x0o s TYR 105 Ca -0.16 -0.32 -0.01 0.00 -0.52 0.00 0.00 57.07 56.06 1x0o s TYR 105 Cb 0.05 0.64 -0.04 0.00 0.38 0.00 0.00 41.96 42.99 1x0o s TYR 105 CO 0.84 -0.64 0.05 0.42 -1.52 0.00 0.00 175.55 174.71 1x0o s ILE 106 N -2.16 4.60 -0.27 -3.49 1.01 0.92 -1.36 121.20 120.45 1x0o s ILE 106 Ca 0.24 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.57 1x0o s ILE 106 Cb -0.01 -3.04 0.06 0.00 0.01 0.00 0.00 42.46 39.47 1x0o s ILE 106 CO 0.02 0.45 -0.07 -0.63 0.00 0.00 0.00 174.94 174.71 1x0o s ILE 107 N -1.08 2.45 -0.26 2.92 1.01 0.99 -0.13 121.20 127.10 1x0o s ILE 107 Ca 0.19 -1.54 -0.04 0.00 0.00 0.00 0.00 60.65 59.26 1x0o s ILE 107 Cb -0.12 -2.43 0.02 0.00 0.01 0.00 0.00 42.46 39.94 1x0o s ILE 107 CO 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 174.94 174.97 1x0o s THR 109 N 1.40 4.77 -0.28 0.00 2.01 -0.86 -0.60 115.64 122.06 1x0o s THR 109 Ca 0.01 1.61 -0.01 0.00 0.31 0.00 0.00 61.69 63.61 1x0o s THR 109 Cb -0.17 -4.10 0.04 0.00 0.01 0.00 0.00 72.50 68.28 1x0o s THR 109 CO -0.02 0.35 -0.03 0.20 -0.69 0.00 0.00 174.62 174.44 1x0o s ASN 110 N 0.03 4.70 -0.37 3.53 0.01 0.59 -0.00 114.94 123.42 1x0o s ASN 110 Ca 0.38 -1.18 -0.08 0.00 -0.71 0.00 0.00 52.86 51.28 1x0o s ASN 110 Cb -0.20 -1.68 0.05 0.00 0.41 0.00 0.00 41.25 39.83 1x0o s ASN 110 CO 0.22 -0.22 0.17 -0.89 -1.51 0.00 0.00 177.10 174.88 1x0o s THR 111 N 1.26 3.98 -0.29 1.60 2.01 -0.86 -2.20 115.64 121.14 1x0o s THR 111 Ca -0.04 -1.24 -0.29 0.00 0.31 0.00 0.00 61.69 60.43 1x0o s THR 111 Cb -0.19 -3.33 0.01 0.00 0.01 0.00 0.00 72.50 69.00 1x0o s THR 111 CO -0.02 -0.32 1.10 0.21 -0.69 0.00 0.00 174.62 174.90 1x0o s ASN 112 N 1.66 6.95 0.00 3.53 3.84 -1.20 -0.24 114.94 129.48 1x0o s ASN 112 Ca 0.01 1.17 0.00 0.00 0.21 0.00 0.00 52.86 54.25 1x0o s ASN 112 Cb -0.21 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 37.95 1x0o s ASN 112 CO 0.03 -0.85 0.00 0.52 -2.79 0.00 0.00 177.10 174.01 1x0o n VAL 113 N 5.75 0.00 0.04 -5.21 0.31 -0.13 -4.84 118.33 114.25 1x0o n VAL 113 Ca 0.12 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.33 1x0o n VAL 113 Cb 0.47 -0.13 -0.09 0.00 -0.91 0.00 0.00 33.84 33.18 1x0o n VAL 113 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1x0o h LYS 114 N 0.00 -0.08 -2.13 5.55 1.57 -1.93 -3.49 116.57 116.06 1x0o h LYS 114 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1x0o h LYS 114 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1x0o h LYS 114 CO 0.00 0.22 -0.52 -1.71 -0.57 0.00 0.00 179.45 176.87 1x0o n ASN 115 N -4.98 -5.37 -3.68 0.86 2.85 -1.20 -4.58 115.26 99.16 1x0o n ASN 115 Ca -0.08 0.73 -0.42 0.00 -0.11 0.00 0.00 54.58 54.69 1x0o n ASN 115 Cb 0.18 -2.35 -0.02 0.00 1.24 0.00 0.00 39.78 38.84 1x0o n ASN 115 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1x0o n SER 116 N -0.97 3.71 -4.63 1.20 7.64 -1.26 -4.62 113.62 114.68 1x0o n SER 116 Ca 0.00 -2.78 -0.42 0.00 1.01 0.00 0.00 58.87 56.67 1x0o n SER 116 Cb 0.01 -1.51 -0.03 0.00 -1.01 0.00 0.00 64.21 61.67 1x0o n SER 116 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x0o s SER 117 N 3.62 6.10 -1.15 6.43 1.04 -1.26 -4.90 113.70 123.57 1x0o s SER 117 Ca 0.50 2.23 -0.20 0.00 0.48 0.00 0.00 55.95 58.96 1x0o s SER 117 Cb 0.14 -2.52 0.06 0.00 0.10 0.00 0.00 66.02 63.80 1x0o s SER 117 CO -0.04 -1.40 1.58 -1.10 0.98 0.00 0.00 173.24 173.26 1x0o s GLN 118 N 5.14 3.79 0.00 4.02 -0.21 -1.26 -5.24 119.66 125.89 1x0o s GLN 118 Ca 0.90 -1.57 0.00 0.00 0.02 0.00 0.00 55.36 54.71 1x0o s GLN 118 Cb -0.36 -5.43 0.00 0.00 1.00 0.00 0.00 33.01 28.22 1x0o s GLN 118 CO 0.37 -2.22 0.00 0.39 -2.12 0.00 0.00 175.29 171.71