#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 -1.66 -0.99 4.61 0.00 -1.26 -5.02 120.51 116.19 1x0o n ALA 2 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1x0o n ALA 2 Cb 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1x0o n ALA 2 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1x0o n MET 3 N -3.01 0.00 -2.77 0.00 0.00 -1.26 -5.00 117.12 105.09 1x0o n MET 3 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 57.70 57.65 1x0o n MET 3 Cb 0.30 0.00 0.01 0.00 0.00 0.00 0.00 33.22 33.52 1x0o n MET 3 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1x0o n ASP 4 N -3.01 -7.90 -4.58 7.83 2.03 -1.26 -5.03 116.55 104.63 1x0o n ASP 4 Ca 0.00 0.92 -0.26 0.00 0.52 0.00 0.00 54.79 55.97 1x0o n ASP 4 Cb 0.00 -5.31 -0.09 0.00 -0.72 0.00 0.00 41.12 35.00 1x0o n ASP 4 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1x0o s ASN 5 N -2.15 4.27 -0.29 1.67 -0.87 -1.26 -5.12 114.94 111.19 1x0o s ASN 5 Ca 0.14 -0.61 -0.23 0.00 -1.57 0.00 0.00 52.86 50.59 1x0o s ASN 5 Cb -0.04 -0.72 0.15 0.00 -0.02 0.00 0.00 41.25 40.62 1x0o s ASN 5 CO 0.76 0.08 1.17 0.54 -2.57 0.00 0.00 177.10 177.08 1x0o s VAL 6 N -1.84 0.00 -0.95 1.60 0.11 -1.26 -5.04 120.40 113.01 1x0o s VAL 6 Ca 0.26 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.27 1x0o s VAL 6 Cb -0.08 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.71 1x0o s VAL 6 CO 0.16 0.00 0.83 0.00 -3.33 0.00 0.00 175.10 172.76 1x0o s GLN 8 N -4.37 2.06 0.93 0.00 0.00 -1.26 -5.07 119.66 111.96 1x0o s GLN 8 Ca 0.36 -0.96 -0.11 0.00 -0.00 0.00 0.00 55.36 54.65 1x0o s GLN 8 Cb -0.05 -2.07 0.15 0.00 0.00 0.00 0.00 33.01 31.04 1x0o s GLN 8 CO 0.66 0.55 1.10 -2.14 0.00 0.00 0.00 175.29 175.46 1x0o s PRO 9 N -0.87 0.98 -0.00 9.60 0.02 -1.26 -4.86 135.00 138.60 1x0o s PRO 9 Ca 0.11 1.10 0.04 0.00 0.02 0.00 0.00 61.00 62.27 1x0o s PRO 9 Cb -0.10 -1.76 0.13 0.00 0.02 0.00 0.00 34.50 32.79 1x0o s PRO 9 CO 0.01 -2.51 1.09 2.41 -0.33 0.00 0.00 177.00 177.66 1x0o n THR 10 N -4.10 0.22 -4.80 0.99 -1.04 -1.26 -4.44 114.28 99.85 1x0o n THR 10 Ca 0.08 -0.20 -0.26 0.00 -2.04 0.00 0.00 64.05 61.63 1x0o n THR 10 Cb 0.54 0.06 -0.16 0.00 -1.82 0.00 0.00 70.33 68.95 1x0o n THR 10 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1x0o s GLU 11 N -1.78 1.79 0.03 -2.82 -1.05 -1.26 -3.64 118.70 109.97 1x0o s GLU 11 Ca 0.10 -0.58 0.09 0.00 -0.15 0.00 0.00 54.97 54.43 1x0o s GLU 11 Cb 0.05 -1.53 -0.03 0.00 -0.44 0.00 0.00 34.13 32.19 1x0o s GLU 11 CO 0.06 0.20 -0.26 -0.59 0.95 0.00 0.00 175.26 175.63 1x0o s PHE 12 N 0.15 2.33 -0.35 4.83 -0.71 -0.86 -4.87 117.98 118.49 1x0o s PHE 12 Ca -0.06 -0.42 -0.18 0.00 -1.04 0.00 0.00 56.93 55.23 1x0o s PHE 12 Cb -0.12 -1.43 -0.00 0.00 -1.21 0.00 0.00 43.02 40.26 1x0o s PHE 12 CO 0.03 0.08 0.52 0.42 -1.34 0.00 0.00 175.22 174.92 1x0o s ILE 13 N -0.75 5.01 -0.14 -4.49 1.01 -1.26 -0.78 121.20 119.81 1x0o s ILE 13 Ca 0.11 0.36 -0.04 0.00 0.00 0.00 0.00 60.65 61.09 1x0o s ILE 13 Cb -0.10 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 1x0o s ILE 13 CO 0.01 -0.21 -0.02 -0.55 0.00 0.00 0.00 174.94 174.17 1x0o s SER 14 N 1.75 4.97 -0.33 3.58 0.15 0.86 -3.53 113.70 121.15 1x0o s SER 14 Ca 0.19 -0.05 -0.09 0.00 0.70 0.00 0.00 55.95 56.70 1x0o s SER 14 Cb -0.15 -1.71 0.01 0.00 -1.71 0.00 0.00 66.02 62.45 1x0o s SER 14 CO 0.13 0.22 0.15 -0.13 1.20 0.00 0.00 173.24 174.81 1x0o s ARG 15 N 0.07 3.12 0.02 5.44 3.00 0.05 -1.64 118.95 129.01 1x0o s ARG 15 Ca 0.01 -0.86 -0.01 0.00 0.00 0.00 0.00 55.73 54.86 1x0o s ARG 15 Cb -0.13 -3.56 -0.02 0.00 0.00 0.00 0.00 34.95 31.23 1x0o s ARG 15 CO 0.02 -0.51 -0.01 -3.38 0.00 0.00 0.00 175.30 171.42 1x0o s HIS 16 N 1.56 0.27 0.64 -0.53 -3.43 -0.91 -1.08 115.29 111.82 1x0o s HIS 16 Ca 0.03 -0.57 -0.12 0.00 -0.80 0.00 0.00 55.06 53.60 1x0o s HIS 16 Cb -0.18 -0.20 -0.02 0.00 -1.43 0.00 0.00 32.58 30.75 1x0o s HIS 16 CO 0.05 -0.23 1.04 1.21 -2.00 0.00 0.00 174.74 174.82 1x0o s ASN 17 N -1.67 5.82 0.56 7.38 2.47 0.11 0.12 114.94 129.73 1x0o s ASN 17 Ca -0.12 1.57 0.32 0.00 0.42 0.00 0.00 52.86 55.04 1x0o s ASN 17 Cb -0.07 -2.49 1.46 0.00 -1.45 0.00 0.00 41.25 38.70 1x0o s ASN 17 CO -0.02 -1.14 1.83 0.16 -3.72 0.00 0.00 177.10 174.21 1x0o h ILE 18 N -0.31 0.42 0.00 -5.21 3.07 -1.88 0.70 117.51 114.29 1x0o h ILE 18 Ca -0.44 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.97 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 0.59 0.00 0.00 -0.62 -1.05 0.00 0.00 178.15 177.07 1x0o n GLU 19 N -4.00 0.15 0.00 0.16 1.02 -1.26 -4.82 120.64 111.89 1x0o n GLU 19 Ca 0.17 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 1x0o n GLU 19 Cb 0.98 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 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 0.00 0.94 3.67 0.62 0.00 0.24 -4.86 105.19 105.80 1x0o n GLY 20 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 4.95 0.03 -0.61 -1.09 -1.02 -1.50 121.20 119.97 1x0o s ILE 21 Ca 0.00 1.43 -0.30 0.00 -2.23 0.00 0.00 60.65 59.55 1x0o s ILE 21 Cb 0.00 -4.05 -0.06 0.00 -1.58 0.00 0.00 42.46 36.77 1x0o s ILE 21 CO 0.00 0.08 1.31 -0.36 -1.23 0.00 0.00 174.94 174.74 1x0o s PHE 22 N 1.91 3.16 -0.09 3.97 0.08 -0.95 0.07 117.98 126.13 1x0o s PHE 22 Ca 0.34 1.05 0.04 0.00 0.12 0.00 0.00 56.93 58.48 1x0o s PHE 22 Cb -0.16 -3.56 -0.08 0.00 -0.57 0.00 0.00 43.02 38.65 1x0o s PHE 22 CO 0.12 -1.90 -0.03 0.25 -0.10 0.00 0.00 175.22 173.55 1x0o n THR 23 N 4.29 0.57 -3.68 0.64 -2.24 -0.74 -3.14 114.28 109.99 1x0o n THR 23 Ca 0.11 -0.28 -0.15 0.00 -2.27 0.00 0.00 64.05 61.46 1x0o n THR 23 Cb 0.45 -0.83 -0.15 0.00 -2.10 0.00 0.00 70.33 67.70 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 -2.20 -0.26 -0.03 4.78 5.36 -0.24 -5.01 117.98 120.37 1x0o s PHE 24 Ca -0.09 0.72 0.06 0.00 -0.96 0.00 0.00 56.93 56.66 1x0o s PHE 24 Cb 0.03 -0.15 -0.01 0.00 -0.34 0.00 0.00 43.02 42.55 1x0o s PHE 24 CO 0.28 -0.28 -0.23 0.08 -1.46 0.00 0.00 175.22 173.61 1x0o s VAL 25 N 2.13 1.82 0.39 3.12 1.01 -1.26 -0.77 120.40 126.85 1x0o s VAL 25 Ca 0.00 -0.96 -0.20 0.00 0.00 0.00 0.00 61.98 60.82 1x0o s VAL 25 Cb -0.12 -1.53 -0.10 0.00 0.00 0.00 0.00 36.38 34.63 1x0o s VAL 25 CO -0.07 0.51 0.90 -0.62 0.00 0.00 0.00 175.10 175.82 1x0o s ASP 26 N -0.32 6.95 0.66 3.32 -1.08 -1.23 -4.70 116.67 120.26 1x0o s ASP 26 Ca 0.03 1.61 0.28 0.00 -0.52 0.00 0.00 52.55 53.95 1x0o s ASP 26 Cb -0.11 -2.50 1.53 0.00 -1.46 0.00 0.00 42.92 40.38 1x0o s ASP 26 CO 0.01 -0.28 1.87 0.45 0.52 0.00 0.00 175.17 177.74 1x0o h HIS 27 N 2.16 0.00 0.00 -5.34 3.86 -1.97 -1.28 115.15 112.58 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 0.11 0.00 0.86 0.00 0.00 177.93 179.52 1x0o h ARG 28 N 0.00 0.00 -0.77 2.45 3.08 -1.89 -2.87 114.38 114.37 1x0o h ARG 28 Ca 0.02 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.21 1x0o h ARG 28 Cb 0.79 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.79 1x0o h ARG 28 CO -0.00 0.00 0.51 0.00 -1.07 0.00 0.00 179.97 179.41 1x0o h VAL 30 N 0.50 1.29 0.07 0.00 -1.51 -1.07 -0.30 116.25 115.23 1x0o h VAL 30 Ca 0.38 -1.39 -0.00 0.00 -1.23 0.00 0.00 66.70 64.45 1x0o h VAL 30 Cb 0.76 1.66 0.00 0.00 -2.13 0.00 0.00 31.29 31.58 1x0o h VAL 30 CO -0.13 0.41 -0.03 0.00 -1.23 0.00 0.00 177.57 176.58 1x0o h ALA 31 N 1.49 -0.09 0.55 5.19 0.00 -1.23 -1.36 119.26 123.81 1x0o h ALA 31 Ca 0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1x0o h ALA 31 Cb 0.73 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.56 1x0o h ALA 31 CO 0.05 -0.23 -0.27 1.15 0.00 0.00 0.00 179.25 179.96 1x0o h THR 32 N -0.74 0.43 0.00 0.00 2.02 -1.38 -3.40 112.91 109.84 1x0o h THR 32 Ca -0.01 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 66.96 1x0o h THR 32 Cb 0.59 0.49 -0.10 0.00 -1.74 0.00 0.00 68.15 67.40 1x0o h THR 32 CO 0.02 0.03 -0.57 1.33 0.37 0.00 0.00 175.52 176.69 1x0o n VAL 33 N -5.37 0.32 0.00 3.16 0.24 -0.17 -4.91 118.33 111.61 1x0o n VAL 33 Ca -0.12 -0.66 0.00 0.00 -2.04 0.00 0.00 64.34 61.52 1x0o n VAL 33 Cb 0.32 0.50 0.00 0.00 -1.47 0.00 0.00 33.84 33.20 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 -0.09 2.05 3.77 7.63 0.00 -0.51 0.01 105.19 118.05 1x0o n GLY 34 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.26 2.98 0.26 1.61 2.02 -1.23 -4.52 117.35 118.21 1x0o s TYR 35 Ca 0.00 1.56 -0.11 0.00 -0.37 0.00 0.00 57.07 58.15 1x0o s TYR 35 Cb 0.00 -3.33 -0.07 0.00 -0.40 0.00 0.00 41.96 38.16 1x0o s TYR 35 CO 0.00 -1.31 0.60 -0.65 -1.57 0.00 0.00 175.55 172.63 1x0o s GLN 36 N -2.61 3.84 0.22 -0.62 -1.52 -1.26 -1.64 119.66 116.07 1x0o s GLN 36 Ca 0.62 0.36 -0.14 0.00 -1.95 0.00 0.00 55.36 54.25 1x0o s GLN 36 Cb -0.27 -2.58 0.27 0.00 -0.22 0.00 0.00 33.01 30.20 1x0o s GLN 36 CO 0.34 0.26 1.59 -1.35 -0.25 0.00 0.00 175.29 175.88 1x0o h PRO 37 N 2.38 -0.04 -0.50 2.91 0.11 -1.84 0.12 132.00 135.15 1x0o h PRO 37 Ca -0.47 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.71 1x0o h PRO 37 Cb 1.17 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.23 1x0o h PRO 37 CO 0.68 -0.02 0.16 1.96 -0.21 0.00 0.00 178.00 180.57 1x0o h GLN 38 N -0.04 0.32 0.00 1.05 1.08 -1.93 -0.75 115.11 114.84 1x0o h GLN 38 Ca 0.34 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.50 1x0o h GLN 38 Cb 0.56 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1x0o h GLN 38 CO -0.78 0.21 -0.08 0.93 -0.95 0.00 0.00 178.83 178.16 1x0o h GLU 39 N 0.33 0.00 0.02 1.46 4.39 -1.17 -1.39 114.58 118.22 1x0o h GLU 39 Ca 0.24 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.63 1x0o h GLU 39 Cb 0.27 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.88 1x0o h GLU 39 CO -0.26 0.08 -1.78 -0.11 -1.16 0.00 0.00 179.01 175.78 1x0o n LEU 40 N -3.34 1.19 -4.66 1.33 7.94 -0.81 -4.80 117.00 113.84 1x0o n LEU 40 Ca -0.01 0.37 -0.42 0.00 -1.11 0.00 0.00 56.01 54.84 1x0o n LEU 40 Cb 0.26 -0.06 -0.03 0.00 0.53 0.00 0.00 43.42 44.11 1x0o n LEU 40 CO 0.28 0.48 1.59 -0.76 -1.11 0.00 0.00 177.39 177.86 1x0o s LEU 41 N -6.25 4.43 0.00 -1.96 1.43 -0.35 -1.50 118.68 114.47 1x0o s LEU 41 Ca -0.08 2.67 0.00 0.00 -1.03 0.00 0.00 54.13 55.69 1x0o s LEU 41 Cb 0.08 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.76 1x0o s LEU 41 CO 0.81 -1.05 0.00 0.61 0.23 0.00 0.00 176.35 176.96 1x0o n GLY 42 N 4.51 2.53 3.94 -3.19 0.00 -1.19 -4.97 105.19 106.83 1x0o n GLY 42 Ca 0.20 0.00 -0.26 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 -0.40 3.45 0.12 1.61 -0.14 -0.56 -4.92 119.74 118.89 1x0o s LYS 43 Ca 0.00 -0.58 -0.14 0.00 -1.36 0.00 0.00 55.97 53.89 1x0o s LYS 43 Cb 0.00 -2.94 -0.07 0.00 -1.68 0.00 0.00 37.83 33.14 1x0o s LYS 43 CO 0.00 0.50 0.53 1.21 -0.76 0.00 0.00 175.35 176.83 1x0o s ASN 44 N -3.29 6.84 0.52 2.83 3.84 -1.26 -2.23 114.94 122.18 1x0o s ASN 44 Ca 0.35 1.07 0.19 0.00 0.21 0.00 0.00 52.86 54.68 1x0o s ASN 44 Cb -0.11 -2.28 1.30 0.00 -0.55 0.00 0.00 41.25 39.61 1x0o s ASN 44 CO 0.29 0.14 2.09 -0.29 -2.79 0.00 0.00 177.10 176.54 1x0o h ILE 45 N 2.95 0.90 -0.26 -5.21 2.10 -1.60 0.72 117.51 117.11 1x0o h ILE 45 Ca -0.49 -0.01 -0.02 0.00 1.08 0.00 0.00 64.86 65.43 1x0o h ILE 45 Cb 1.20 0.88 -0.01 0.00 -1.09 0.00 0.00 36.82 37.79 1x0o h ILE 45 CO 0.65 0.00 0.08 0.58 -1.08 0.00 0.00 178.15 178.39 1x0o h VAL 46 N 0.02 1.12 -0.41 2.19 2.07 -1.91 0.01 116.25 119.35 1x0o h VAL 46 Ca 0.11 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 1x0o h VAL 46 Cb 0.40 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1x0o h VAL 46 CO -0.00 0.14 0.05 -0.33 0.02 0.00 0.00 177.57 177.45 1x0o h GLU 47 N 0.36 0.63 -0.46 1.57 4.39 -1.24 -1.88 114.58 117.95 1x0o h GLU 47 Ca 0.09 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1x0o h GLU 47 Cb 0.11 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1x0o h GLU 47 CO -0.01 0.61 0.00 1.19 -1.16 0.00 0.00 179.01 179.65 1x0o n PHE 48 N -4.28 1.30 -3.48 4.33 3.72 -0.92 -4.93 117.46 113.21 1x0o n PHE 48 Ca 0.02 -0.71 -0.37 0.00 -0.05 0.00 0.00 57.45 56.34 1x0o n PHE 48 Cb 0.23 -0.30 -0.06 0.00 -0.94 0.00 0.00 39.48 38.41 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 3.12 1.47 0.01 0.00 -0.00 -0.62 -4.76 115.22 114.44 1x0o n HIS 50 Ca -0.11 0.79 0.23 0.00 0.46 0.00 0.00 57.72 59.08 1x0o n HIS 50 Cb 0.52 -2.29 0.67 0.00 -0.12 0.00 0.00 29.99 28.77 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 4.89 0.00 0.00 1.57 0.11 -1.92 0.48 132.00 137.13 1x0o h PRO 51 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1x0o h PRO 51 Cb 1.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.47 1x0o h PRO 51 CO 0.82 0.00 -0.26 0.39 -0.21 0.00 0.00 178.00 178.74 1x0o n GLU 52 N -3.56 0.02 0.00 1.05 1.02 -1.26 -3.79 120.64 114.12 1x0o n GLU 52 Ca 0.12 0.01 0.06 0.00 -0.02 0.00 0.00 57.16 57.33 1x0o n GLU 52 Cb 0.87 -1.52 -0.01 0.00 -0.02 0.00 0.00 31.44 30.77 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 -1.55 1.32 -0.30 1.62 8.00 0.17 -4.54 116.55 121.26 1x0o n ASP 53 Ca 0.06 -1.16 0.00 0.00 0.71 0.00 0.00 54.79 54.40 1x0o n ASP 53 Cb 0.34 0.50 0.19 0.00 -0.02 0.00 0.00 41.12 42.13 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 1.28 1.14 -0.36 -1.24 4.20 -1.63 0.22 115.11 118.72 1x0o h GLN 54 Ca 0.00 -0.07 -0.14 0.00 0.06 0.00 0.00 58.65 58.50 1x0o h GLN 54 Cb 0.41 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1x0o h GLN 54 CO 0.00 0.75 -0.34 0.37 -0.67 0.00 0.00 178.83 178.94 1x0o h GLN 55 N 1.17 0.82 -0.60 1.46 -0.00 -1.84 -2.40 115.11 113.72 1x0o h GLN 55 Ca 0.34 -0.40 -0.02 0.00 -0.00 0.00 0.00 58.65 58.58 1x0o h GLN 55 Cb -0.07 -0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.38 1x0o h GLN 55 CO -0.09 1.03 0.31 1.25 0.00 0.00 0.00 178.83 181.34 1x0o h LEU 56 N 0.69 0.76 -0.80 -2.39 6.46 -1.31 -1.18 115.31 117.54 1x0o h LEU 56 Ca 0.07 -0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.72 1x0o h LEU 56 Cb 0.89 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.59 1x0o h LEU 56 CO 0.08 0.65 0.49 -0.07 -0.62 0.00 0.00 178.44 178.97 1x0o h LEU 57 N 0.82 0.96 -0.01 2.25 -0.00 -0.56 0.20 115.31 118.96 1x0o h LEU 57 Ca 0.21 -0.06 0.01 0.00 -0.00 0.00 0.00 57.88 58.04 1x0o h LEU 57 Cb 0.07 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 40.48 1x0o h LEU 57 CO -0.03 0.73 -0.06 0.03 -0.00 0.00 0.00 178.44 179.11 1x0o h ARG 58 N 1.10 -0.10 -0.74 1.13 3.08 -0.83 -0.36 114.38 117.66 1x0o h ARG 58 Ca 0.29 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.29 1x0o h ARG 58 Cb -0.05 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 1x0o h ARG 58 CO -0.06 -0.06 0.26 0.22 -1.07 0.00 0.00 179.97 179.26 1x0o h ASP 59 N -0.10 1.05 -0.43 7.04 3.58 -0.93 -1.61 116.42 125.02 1x0o h ASP 59 Ca 0.03 -0.18 -0.05 0.00 0.42 0.00 0.00 57.03 57.25 1x0o h ASP 59 Cb 0.14 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.90 1x0o h ASP 59 CO -0.07 0.95 0.08 0.77 -2.88 0.00 0.00 179.24 178.09 1x0o h SER 60 N 1.09 0.67 -0.46 2.28 4.64 -0.18 0.17 113.55 121.75 1x0o h SER 60 Ca 0.24 -0.25 -0.13 0.00 -0.47 0.00 0.00 61.79 61.18 1x0o h SER 60 Cb 0.26 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1x0o h SER 60 CO -0.01 0.75 -0.21 -0.26 -0.87 0.00 0.00 176.83 176.23 1x0o h PHE 61 N 0.56 1.10 0.00 4.77 0.04 -0.96 -2.64 116.94 119.82 1x0o h PHE 61 Ca 0.13 -0.27 -0.14 0.00 2.80 0.00 0.00 57.97 60.49 1x0o h PHE 61 Cb 0.36 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.24 1x0o h PHE 61 CO 0.02 1.08 -0.65 -0.56 -0.60 0.00 0.00 178.31 177.61 1x0o h GLN 62 N 0.80 0.00 -0.40 1.51 3.07 -1.02 -2.38 115.11 116.70 1x0o h GLN 62 Ca 0.10 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.82 1x0o h GLN 62 Cb 0.79 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.33 1x0o h GLN 62 CO 0.07 0.65 0.14 1.96 0.09 0.00 0.00 178.83 181.73 1x0o h GLN 63 N 0.00 0.61 0.00 0.06 1.08 -0.49 -0.95 115.11 115.42 1x0o h GLN 63 Ca -0.01 -0.12 -0.04 0.00 -1.45 0.00 0.00 58.65 57.03 1x0o h GLN 63 Cb 1.19 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.53 1x0o h GLN 63 CO 0.08 0.60 -0.21 -0.24 -0.95 0.00 0.00 178.83 178.12 1x0o h VAL 64 N 0.50 0.57 -0.06 -0.54 3.04 -1.35 0.22 116.25 118.63 1x0o h VAL 64 Ca 0.13 -0.98 -0.13 0.00 -1.01 0.00 0.00 66.70 64.71 1x0o h VAL 64 Cb 0.23 1.66 -0.01 0.00 -2.01 0.00 0.00 31.29 31.16 1x0o h VAL 64 CO -0.01 0.20 -0.55 0.58 -1.01 0.00 0.00 177.57 176.79 1x0o h VAL 65 N 0.00 1.37 -0.10 1.51 2.07 -0.96 0.43 116.25 120.57 1x0o h VAL 65 Ca -0.00 -1.86 -0.22 0.00 0.82 0.00 0.00 66.70 65.43 1x0o h VAL 65 Cb 0.64 1.93 0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1x0o h VAL 65 CO 0.03 0.55 -0.82 0.11 0.02 0.00 0.00 177.57 177.45 1x0o h LYS 66 N 0.15 0.67 0.24 1.57 1.57 -0.01 -3.35 116.57 117.41 1x0o h LYS 66 Ca -0.00 -0.58 -0.01 0.00 -1.87 0.00 0.00 60.65 58.18 1x0o h LYS 66 Cb 1.01 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1x0o h LYS 66 CO 0.08 1.20 -0.12 -0.07 -0.57 0.00 0.00 179.45 179.97 1x0o h LEU 67 N 0.44 -0.28 -2.10 2.94 3.38 -0.41 -3.50 115.31 115.77 1x0o h LEU 67 Ca -0.06 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.67 1x0o h LEU 67 Cb 1.45 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 42.16 1x0o h LEU 67 CO 0.16 0.21 -1.44 0.29 0.09 0.00 0.00 178.44 177.75 1x0o n LYS 68 N -5.01 -4.27 0.00 1.13 5.02 0.15 -4.53 118.16 110.65 1x0o n LYS 68 Ca -0.08 3.25 0.00 0.00 -2.02 0.00 0.00 58.31 59.46 1x0o n LYS 68 Cb 0.26 -4.87 0.00 0.00 -0.02 0.00 0.00 35.03 30.39 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 1.62 3.12 3.75 0.72 0.00 -1.26 -5.02 105.19 108.12 1x0o n GLY 69 Ca -0.34 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.70 4.28 -0.24 1.61 2.00 -1.26 -4.95 119.66 120.40 1x0o s GLN 70 Ca 0.00 0.60 -0.29 0.00 -2.00 0.00 0.00 55.36 53.67 1x0o s GLN 70 Cb 0.00 -3.37 -0.00 0.00 0.80 0.00 0.00 33.01 30.44 1x0o s GLN 70 CO 0.00 0.32 1.23 0.08 -0.50 0.00 0.00 175.29 176.42 1x0o s VAL 71 N 0.04 4.30 -0.30 1.34 1.01 -1.25 -4.61 120.40 120.93 1x0o s VAL 71 Ca 0.29 1.53 -0.08 0.00 0.00 0.00 0.00 61.98 63.71 1x0o s VAL 71 Cb -0.17 -4.14 -0.00 0.00 0.00 0.00 0.00 36.38 32.07 1x0o s VAL 71 CO 0.14 -0.30 0.12 -0.22 0.00 0.00 0.00 175.10 174.84 1x0o s LEU 72 N 3.80 3.97 -0.22 3.92 1.98 -0.25 -4.81 118.68 127.08 1x0o s LEU 72 Ca 0.53 -0.58 -0.21 0.00 -2.89 0.00 0.00 54.13 50.98 1x0o s LEU 72 Cb -0.18 -1.95 -0.02 0.00 0.66 0.00 0.00 46.19 44.70 1x0o s LEU 72 CO 0.17 -0.19 0.63 -0.94 -1.89 0.00 0.00 176.35 174.13 1x0o s SER 73 N 1.57 6.64 -0.10 3.68 1.04 -1.26 -0.01 113.70 125.26 1x0o s SER 73 Ca 0.04 0.78 0.03 0.00 0.48 0.00 0.00 55.95 57.28 1x0o s SER 73 Cb -0.17 -2.34 -0.00 0.00 0.10 0.00 0.00 66.02 63.60 1x0o s SER 73 CO 0.05 -0.30 -0.22 0.54 0.98 0.00 0.00 173.24 174.28 1x0o s VAL 74 N 2.11 2.27 -0.20 5.02 0.11 0.32 -4.95 120.40 125.09 1x0o s VAL 74 Ca 0.28 -0.95 -0.05 0.00 -2.93 0.00 0.00 61.98 58.33 1x0o s VAL 74 Cb -0.16 -1.88 -0.02 0.00 -1.53 0.00 0.00 36.38 32.79 1x0o s VAL 74 CO 0.10 0.55 -0.01 -0.32 -3.33 0.00 0.00 175.10 172.09 1x0o s MET 75 N 0.31 3.59 0.39 1.54 1.75 -1.26 -0.26 119.30 125.36 1x0o s MET 75 Ca -0.17 -0.54 -0.16 0.00 -1.25 0.00 0.00 55.69 53.58 1x0o s MET 75 Cb -0.17 -3.06 0.06 0.00 2.84 0.00 0.00 34.83 34.50 1x0o s MET 75 CO 0.08 0.00 0.79 -0.59 -0.65 0.00 0.00 175.02 174.66 1x0o s PHE 76 N 1.02 0.12 -0.20 4.11 -0.71 -0.69 -4.98 117.98 116.65 1x0o s PHE 76 Ca 0.02 -0.81 -0.06 0.00 -1.04 0.00 0.00 56.93 55.04 1x0o s PHE 76 Cb -0.14 0.84 -0.03 0.00 -1.21 0.00 0.00 43.02 42.48 1x0o s PHE 76 CO 0.01 -1.58 0.02 1.03 -1.34 0.00 0.00 175.22 173.37 1x0o s ARG 77 N -2.27 3.74 -0.03 1.99 0.52 -1.25 -0.67 118.95 120.97 1x0o s ARG 77 Ca 0.16 -0.46 -0.02 0.00 -0.52 0.00 0.00 55.73 54.89 1x0o s ARG 77 Cb -0.05 -3.13 -0.04 0.00 0.52 0.00 0.00 34.95 32.25 1x0o s ARG 77 CO 0.11 0.09 0.08 0.12 0.02 0.00 0.00 175.30 175.73 1x0o s PHE 78 N 0.82 3.32 -0.55 -0.53 2.19 -0.54 -1.60 117.98 121.09 1x0o s PHE 78 Ca 0.02 0.25 -0.27 0.00 0.33 0.00 0.00 56.93 57.25 1x0o s PHE 78 Cb -0.14 -1.77 0.03 0.00 -1.31 0.00 0.00 43.02 39.83 1x0o s PHE 78 CO 0.02 0.57 1.12 0.50 1.83 0.00 0.00 175.22 179.26 1x0o s ARG 79 N -1.54 3.53 1.01 10.12 3.52 0.29 -1.98 118.95 133.90 1x0o s ARG 79 Ca 0.21 0.22 -0.11 0.00 -0.13 0.00 0.00 55.73 55.92 1x0o s ARG 79 Cb -0.12 -3.99 0.19 0.00 -1.56 0.00 0.00 34.95 29.47 1x0o s ARG 79 CO 0.11 -1.55 1.05 0.45 -0.81 0.00 0.00 175.30 174.55 1x0o n SER 80 N 8.07 -0.53 0.02 -2.12 2.88 -0.21 -4.87 113.62 116.87 1x0o n SER 80 Ca 0.08 0.21 0.07 0.00 -1.33 0.00 0.00 58.87 57.89 1x0o n SER 80 Cb 0.49 -1.38 0.29 0.00 -0.75 0.00 0.00 64.21 62.86 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 -4.36 0.03 -0.19 -1.46 3.00 0.10 -0.47 118.16 114.81 1x0o n LYS 81 Ca 0.08 0.33 0.10 0.00 -0.00 0.00 0.00 58.31 58.82 1x0o n LYS 81 Cb 0.53 -1.57 0.27 0.00 0.00 0.00 0.00 35.03 34.26 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 -1.62 2.67 -2.34 3.14 3.02 -1.26 -4.90 115.26 113.95 1x0o n ASN 82 Ca 0.03 -1.91 -0.18 0.00 -0.03 0.00 0.00 54.58 52.49 1x0o n ASN 82 Cb 0.15 -0.25 0.02 0.00 -0.61 0.00 0.00 39.78 39.09 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 0.96 -3.38 -2.47 3.52 3.00 0.37 -5.02 117.38 114.37 1x0o n GLN 83 Ca 0.18 0.75 -0.24 0.00 -0.01 0.00 0.00 57.00 57.68 1x0o n GLN 83 Cb 0.46 -5.23 0.08 0.00 0.00 0.00 0.00 30.24 25.55 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 -5.33 1.98 -0.37 -1.09 0.41 -1.24 -4.86 118.70 108.21 1x0o s GLU 84 Ca 0.19 -0.77 0.01 0.00 -0.41 0.00 0.00 54.97 53.99 1x0o s GLU 84 Cb -0.08 -2.31 0.15 0.00 -1.78 0.00 0.00 34.13 30.11 1x0o s GLU 84 CO 0.24 -1.25 0.25 -1.58 -0.49 0.00 0.00 175.26 172.43 1x0o s TRP 85 N -3.10 0.83 0.30 1.61 0.52 -1.25 -1.04 118.94 116.80 1x0o s TRP 85 Ca 0.63 -1.82 0.03 0.00 0.02 0.00 0.00 56.10 54.95 1x0o s TRP 85 Cb -0.08 -0.92 -0.03 0.00 -1.15 0.00 0.00 33.47 31.29 1x0o s TRP 85 CO 0.43 -0.83 0.46 -0.48 0.02 0.00 0.00 176.95 176.55 1x0o s LEU 86 N 0.78 4.16 -0.17 2.99 -0.00 -0.84 -4.67 118.68 120.93 1x0o s LEU 86 Ca 0.22 0.24 -0.29 0.00 -0.00 0.00 0.00 54.13 54.30 1x0o s LEU 86 Cb -0.16 -3.07 -0.00 0.00 -0.00 0.00 0.00 46.19 42.96 1x0o s LEU 86 CO -0.05 -0.20 1.07 0.26 -0.00 0.00 0.00 176.35 177.44 1x0o s TRP 87 N -2.15 3.32 0.02 3.48 0.52 -1.20 -1.47 118.94 121.45 1x0o s TRP 87 Ca 0.37 1.43 0.03 0.00 0.02 0.00 0.00 56.10 57.95 1x0o s TRP 87 Cb -0.09 -3.29 -0.01 0.00 -1.15 0.00 0.00 33.47 28.93 1x0o s TRP 87 CO 0.32 -0.63 -0.09 0.00 0.02 0.00 0.00 176.95 176.57 1x0o s MET 88 N 2.77 0.64 -0.39 4.98 0.23 0.15 -1.22 119.30 126.46 1x0o s MET 88 Ca 0.48 -0.49 -0.12 0.00 -1.03 0.00 0.00 55.69 54.52 1x0o s MET 88 Cb -0.18 -0.57 0.02 0.00 -1.53 0.00 0.00 34.83 32.57 1x0o s MET 88 CO 0.12 0.14 0.24 0.50 -2.03 0.00 0.00 175.02 174.00 1x0o s ARG 89 N -0.74 2.88 -0.14 3.16 3.52 0.01 -1.71 118.95 125.94 1x0o s ARG 89 Ca -0.01 -1.06 -0.15 0.00 -0.13 0.00 0.00 55.73 54.39 1x0o s ARG 89 Cb -0.06 -3.82 -0.05 0.00 -1.56 0.00 0.00 34.95 29.47 1x0o s ARG 89 CO 0.00 -0.72 0.35 0.99 -0.81 0.00 0.00 175.30 175.12 1x0o s THR 90 N 1.60 5.26 -0.18 4.11 2.01 0.64 -2.16 115.64 126.93 1x0o s THR 90 Ca 0.03 0.68 -0.17 0.00 0.31 0.00 0.00 61.69 62.54 1x0o s THR 90 Cb -0.19 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 1x0o s THR 90 CO 0.08 0.38 0.43 -0.94 -0.69 0.00 0.00 174.62 173.88 1x0o s SER 91 N 0.43 6.51 -0.19 3.53 1.04 -0.30 -0.52 113.70 124.19 1x0o s SER 91 Ca 0.20 0.60 -0.08 0.00 0.48 0.00 0.00 55.95 57.15 1x0o s SER 91 Cb -0.14 -2.25 -0.04 0.00 0.10 0.00 0.00 66.02 63.69 1x0o s SER 91 CO 0.06 -0.06 0.07 -0.44 0.98 0.00 0.00 173.24 173.85 1x0o s SER 92 N 0.93 5.67 -0.02 7.02 0.01 0.99 -2.30 113.70 125.99 1x0o s SER 92 Ca 0.21 0.07 0.02 0.00 1.31 0.00 0.00 55.95 57.56 1x0o s SER 92 Cb -0.15 -1.98 0.01 0.00 0.21 0.00 0.00 66.02 64.11 1x0o s SER 92 CO 0.08 0.15 -0.07 0.12 0.41 0.00 0.00 173.24 173.94 1x0o s PHE 93 N 0.50 0.75 -0.45 2.43 5.36 -0.11 -1.09 117.98 125.38 1x0o s PHE 93 Ca 0.04 -0.18 -0.19 0.00 -0.96 0.00 0.00 56.93 55.64 1x0o s PHE 93 Cb -0.13 -0.56 0.03 0.00 -0.34 0.00 0.00 43.02 42.02 1x0o s PHE 93 CO 0.01 -0.09 0.57 0.95 -1.46 0.00 0.00 175.22 175.19 1x0o s THR 94 N 0.29 4.93 -0.75 0.12 -4.23 -1.26 -0.01 115.64 114.73 1x0o s THR 94 Ca -0.04 -0.21 -0.26 0.00 -1.18 0.00 0.00 61.69 59.99 1x0o s THR 94 Cb -0.08 -4.18 0.02 0.00 1.34 0.00 0.00 72.50 69.60 1x0o s THR 94 CO 0.00 -0.60 1.41 0.12 -0.54 0.00 0.00 174.62 175.02 1x0o s PHE 95 N 2.54 2.18 -0.07 3.99 2.19 -0.66 -4.46 117.98 123.69 1x0o s PHE 95 Ca 0.17 0.04 -0.19 0.00 0.33 0.00 0.00 56.93 57.28 1x0o s PHE 95 Cb -0.17 -4.53 -0.05 0.00 -1.31 0.00 0.00 43.02 36.97 1x0o s PHE 95 CO 0.15 -2.10 0.51 -0.65 1.83 0.00 0.00 175.22 174.96 1x0o s GLN 96 N 5.93 4.29 -0.01 10.12 -0.21 -1.26 -1.73 119.66 136.79 1x0o s GLN 96 Ca 0.42 0.54 -0.30 0.00 0.02 0.00 0.00 55.36 56.04 1x0o s GLN 96 Cb -0.08 -3.39 -0.05 0.00 1.00 0.00 0.00 33.01 30.49 1x0o s GLN 96 CO 0.13 0.27 1.41 1.21 -2.12 0.00 0.00 175.29 176.19 1x0o s ASN 97 N 0.23 6.84 0.04 5.90 3.84 -0.48 -4.89 114.94 126.42 1x0o s ASN 97 Ca 0.28 2.11 0.08 0.00 0.21 0.00 0.00 52.86 55.54 1x0o s ASN 97 Cb -0.16 -2.56 0.36 0.00 -0.55 0.00 0.00 41.25 38.34 1x0o s ASN 97 CO 0.13 -0.73 1.25 -0.81 -2.79 0.00 0.00 177.10 174.14 1x0o n PRO 98 N 5.49 0.02 0.00 0.43 -0.04 -1.26 0.29 135.00 139.93 1x0o n PRO 98 Ca 0.13 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 64.01 1x0o n PRO 98 Cb 0.44 -1.55 -0.00 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.60 0.00 0.00 0.54 4.01 -1.26 -4.70 117.16 114.15 1x0o n TYR 99 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1x0o n TYR 99 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 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 -0.57 3.63 0.00 7.72 7.64 -0.68 -5.01 113.62 126.35 1x0o n SER 100 Ca 0.00 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1x0o n SER 100 Cb 0.01 0.83 0.00 0.00 -1.01 0.00 0.00 64.21 64.04 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 -1.20 0.00 -4.91 6.43 8.00 0.14 -4.94 116.55 120.08 1x0o n ASP 101 Ca 0.00 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.22 1x0o n ASP 101 Cb 0.00 -0.79 0.04 0.00 -0.02 0.00 0.00 41.12 40.36 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 0.00 2.81 -0.53 -1.24 -1.05 -1.26 -4.66 118.70 112.76 1x0o s GLU 102 Ca 0.00 0.13 -0.21 0.00 -0.15 0.00 0.00 54.97 54.74 1x0o s GLU 102 Cb 0.00 -2.17 0.05 0.00 -0.44 0.00 0.00 34.13 31.57 1x0o s GLU 102 CO 0.00 -0.89 0.74 0.42 0.95 0.00 0.00 175.26 176.49 1x0o s ILE 103 N -3.15 4.69 0.28 1.83 -1.09 -1.26 -1.38 121.20 121.12 1x0o s ILE 103 Ca 0.56 -0.25 0.02 0.00 -2.23 0.00 0.00 60.65 58.75 1x0o s ILE 103 Cb -0.11 -4.40 0.08 0.00 -1.58 0.00 0.00 42.46 36.45 1x0o s ILE 103 CO 0.47 -0.94 1.73 1.05 -1.23 0.00 0.00 174.94 176.02 1x0o h GLU 104 N 9.12 0.54 -1.63 2.79 4.11 -1.71 -3.47 114.58 124.34 1x0o h GLU 104 Ca -0.27 -0.19 0.29 0.00 0.07 0.00 0.00 59.36 59.26 1x0o h GLU 104 Cb 1.09 -0.04 -0.11 0.00 0.50 0.00 0.00 28.75 30.18 1x0o h GLU 104 CO 1.02 0.72 0.76 1.52 0.07 0.00 0.00 179.01 183.09 1x0o s TYR 105 N -4.59 -0.06 -0.03 2.06 -0.85 -1.25 -4.85 117.35 107.78 1x0o s TYR 105 Ca -0.07 -0.08 -0.06 0.00 -0.52 0.00 0.00 57.07 56.34 1x0o s TYR 105 Cb 0.14 0.56 -0.04 0.00 0.38 0.00 0.00 41.96 43.00 1x0o s TYR 105 CO 0.79 -0.38 0.22 0.42 -1.52 0.00 0.00 175.55 175.08 1x0o s ILE 106 N -2.60 5.37 -0.27 -3.49 1.01 0.12 -1.65 121.20 119.69 1x0o s ILE 106 Ca 0.14 0.12 -0.05 0.00 0.00 0.00 0.00 60.65 60.85 1x0o s ILE 106 Cb 0.03 -3.53 0.01 0.00 0.01 0.00 0.00 42.46 38.99 1x0o s ILE 106 CO -0.03 0.42 0.04 -0.63 0.00 0.00 0.00 174.94 174.74 1x0o s ILE 107 N -1.24 3.68 -0.08 2.92 -1.09 0.98 -2.14 121.20 124.23 1x0o s ILE 107 Ca 0.24 -0.71 0.01 0.00 -2.23 0.00 0.00 60.65 57.96 1x0o s ILE 107 Cb -0.13 -2.86 0.02 0.00 -1.58 0.00 0.00 42.46 37.91 1x0o s ILE 107 CO 0.14 0.16 -0.11 0.00 -1.23 0.00 0.00 174.94 173.90 1x0o s THR 109 N 0.96 5.34 -0.36 0.00 2.01 -0.97 -0.10 115.64 122.52 1x0o s THR 109 Ca -0.09 0.27 -0.10 0.00 0.31 0.00 0.00 61.69 62.08 1x0o s THR 109 Cb -0.15 -3.54 0.03 0.00 0.01 0.00 0.00 72.50 68.85 1x0o s THR 109 CO 0.00 0.34 0.19 0.20 -0.69 0.00 0.00 174.62 174.66 1x0o s ASN 110 N 0.97 5.65 -0.34 3.53 -0.87 0.04 -1.15 114.94 122.77 1x0o s ASN 110 Ca 0.10 -0.96 -0.07 0.00 -1.57 0.00 0.00 52.86 50.35 1x0o s ASN 110 Cb -0.13 -2.00 0.04 0.00 -0.02 0.00 0.00 41.25 39.14 1x0o s ASN 110 CO 0.04 -0.36 0.11 -0.89 -2.57 0.00 0.00 177.10 173.44 1x0o s THR 111 N 1.54 3.82 -0.38 1.60 2.01 -0.92 -2.04 115.64 121.28 1x0o s THR 111 Ca 0.02 -1.11 -0.28 0.00 0.31 0.00 0.00 61.69 60.62 1x0o s THR 111 Cb -0.19 -3.16 0.02 0.00 0.01 0.00 0.00 72.50 69.18 1x0o s THR 111 CO 0.06 -0.18 1.05 0.21 -0.69 0.00 0.00 174.62 175.08 1x0o s ASN 112 N 1.41 6.78 0.00 3.53 3.04 -1.24 -0.81 114.94 127.65 1x0o s ASN 112 Ca -0.01 0.76 0.00 0.00 0.04 0.00 0.00 52.86 53.64 1x0o s ASN 112 Cb -0.19 -2.52 0.00 0.00 -1.54 0.00 0.00 41.25 36.99 1x0o s ASN 112 CO 0.03 -0.98 0.00 0.52 -3.04 0.00 0.00 177.10 173.63 1x0o n VAL 113 N 6.18 0.00 -4.06 -5.21 0.31 -0.36 -4.94 118.33 110.25 1x0o n VAL 113 Ca 0.11 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.31 1x0o n VAL 113 Cb 0.48 -0.01 -0.04 0.00 -0.91 0.00 0.00 33.84 33.35 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 0.37 1.83 0.37 5.55 -2.85 -1.26 -5.03 119.74 118.72 1x0o s LYS 114 Ca 0.00 -1.63 0.00 0.00 -1.00 0.00 0.00 55.97 53.34 1x0o s LYS 114 Cb 0.00 0.45 0.00 0.00 -2.06 0.00 0.00 37.83 36.22 1x0o s LYS 114 CO 0.00 -0.76 0.00 -1.71 0.10 0.00 0.00 175.35 172.98 1x0o n ASN 115 N -1.15 -6.33 -0.14 0.03 2.85 -1.26 -4.15 115.26 105.11 1x0o n ASN 115 Ca -0.00 0.89 -0.02 0.00 -0.11 0.00 0.00 54.58 55.34 1x0o n ASN 115 Cb 0.62 -3.08 -0.01 0.00 1.24 0.00 0.00 39.78 38.55 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 -0.96 -4.79 -4.52 1.20 7.64 -1.26 -3.21 113.62 107.72 1x0o n SER 116 Ca 0.00 0.05 -0.37 0.00 1.01 0.00 0.00 58.87 59.55 1x0o n SER 116 Cb 0.01 -2.45 -0.12 0.00 -1.01 0.00 0.00 64.21 60.64 1x0o n SER 116 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x0o s SER 117 N -2.13 5.62 0.00 6.43 0.01 -1.26 -3.51 113.70 118.87 1x0o s SER 117 Ca 0.00 -0.14 0.28 0.00 1.31 0.00 0.00 55.95 57.40 1x0o s SER 117 Cb 0.00 -2.03 1.13 0.00 0.21 0.00 0.00 66.02 65.33 1x0o s SER 117 CO 0.00 -0.06 1.79 1.67 0.41 0.00 0.00 173.24 177.05 1x0o n GLN 118 N 5.00 1.58 0.00 12.44 -0.06 -1.26 -5.13 117.38 129.95 1x0o n GLN 118 Ca -0.15 -0.85 0.00 0.00 -2.00 0.00 0.00 57.00 54.00 1x0o n GLN 118 Cb 0.51 -1.47 0.00 0.00 -4.06 0.00 0.00 30.24 25.22 1x0o n GLN 118 CO 0.00 0.00 0.00 -0.85 -0.20 0.00 0.00 177.06 176.01