#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 -0.86 4.61 0.00 -1.26 -4.85 120.51 118.15 1x0o n ALA 2 Ca 0.00 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.50 1x0o n ALA 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -1.69 -1.78 -2.16 0.00 2.81 -1.26 -4.89 117.12 108.16 1x0o n MET 3 Ca 0.00 1.22 -0.18 0.00 -1.81 0.00 0.00 57.70 56.93 1x0o n MET 3 Cb 0.00 -2.15 -0.03 0.00 -0.71 0.00 0.00 33.22 30.33 1x0o n MET 3 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1x0o n ASP 4 N -3.13 -5.17 -0.48 7.83 8.00 -1.26 -4.84 116.55 117.48 1x0o n ASP 4 Ca -0.00 0.17 0.07 0.00 0.71 0.00 0.00 54.79 55.73 1x0o n ASP 4 Cb 0.40 -4.41 0.15 0.00 -0.02 0.00 0.00 41.12 37.23 1x0o n ASP 4 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1x0o n ASN 5 N -1.70 1.74 -4.59 -2.24 0.23 -1.26 -4.76 115.26 102.68 1x0o n ASN 5 Ca -0.21 -3.26 -0.43 0.00 -0.53 0.00 0.00 54.58 50.15 1x0o n ASN 5 Cb 0.65 -0.44 -0.03 0.00 -2.08 0.00 0.00 39.78 37.88 1x0o n ASN 5 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 1x0o s VAL 6 N -2.52 4.27 -0.73 3.53 -7.23 -1.26 -4.12 120.40 112.33 1x0o s VAL 6 Ca 0.32 1.10 -0.01 0.00 -1.81 0.00 0.00 61.98 61.59 1x0o s VAL 6 Cb 0.31 -4.56 0.00 0.00 0.56 0.00 0.00 36.38 32.69 1x0o s VAL 6 CO -0.04 -0.97 0.69 0.00 -0.31 0.00 0.00 175.10 174.48 1x0o s GLN 8 N -3.06 3.52 0.89 0.00 -1.52 -1.26 -5.09 119.66 113.15 1x0o s GLN 8 Ca 0.01 -0.23 -0.14 0.00 -1.95 0.00 0.00 55.36 53.05 1x0o s GLN 8 Cb -0.00 -3.01 0.02 0.00 -0.22 0.00 0.00 33.01 29.80 1x0o s GLN 8 CO 0.76 0.59 0.46 -2.30 -0.25 0.00 0.00 175.29 174.55 1x0o n PRO 9 N 0.57 -0.14 -0.06 2.91 -0.02 -1.26 -4.76 135.00 132.24 1x0o n PRO 9 Ca -0.07 0.01 0.04 0.00 -2.02 0.00 0.00 63.50 61.46 1x0o n PRO 9 Cb 0.52 -1.87 0.17 0.00 -0.02 0.00 0.00 33.50 32.30 1x0o n PRO 9 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1x0o n THR 10 N -3.31 0.15 -5.20 3.45 -1.04 -1.26 -4.47 114.28 102.60 1x0o n THR 10 Ca 0.08 -0.16 -0.32 0.00 -2.04 0.00 0.00 64.05 61.61 1x0o n THR 10 Cb 0.53 0.05 -0.16 0.00 -1.82 0.00 0.00 70.33 68.93 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 -1.85 2.66 -0.06 -2.82 2.02 -1.26 -3.60 118.70 113.79 1x0o s GLU 11 Ca 0.14 -0.87 0.04 0.00 0.02 0.00 0.00 54.97 54.30 1x0o s GLU 11 Cb 0.07 -2.23 0.00 0.00 0.10 0.00 0.00 34.13 32.07 1x0o s GLU 11 CO 0.10 0.36 -0.17 -0.59 0.02 0.00 0.00 175.26 174.99 1x0o s PHE 12 N -0.11 1.74 -0.20 1.61 -0.71 -0.92 -4.82 117.98 114.57 1x0o s PHE 12 Ca -0.05 -0.57 -0.17 0.00 -1.04 0.00 0.00 56.93 55.11 1x0o s PHE 12 Cb -0.14 -1.19 -0.04 0.00 -1.21 0.00 0.00 43.02 40.44 1x0o s PHE 12 CO 0.04 -0.22 0.43 0.42 -1.34 0.00 0.00 175.22 174.55 1x0o s ILE 13 N 0.24 5.18 -0.01 -4.49 1.01 -1.26 -1.46 121.20 120.41 1x0o s ILE 13 Ca -0.08 0.77 0.04 0.00 0.00 0.00 0.00 60.65 61.38 1x0o s ILE 13 Cb -0.13 -3.76 -0.01 0.00 0.01 0.00 0.00 42.46 38.57 1x0o s ILE 13 CO 0.03 0.24 -0.12 -0.94 0.00 0.00 0.00 174.94 174.16 1x0o s SER 14 N 1.04 1.37 -0.20 3.58 1.04 -0.40 -2.41 113.70 117.73 1x0o s SER 14 Ca 0.20 -0.22 -0.04 0.00 0.48 0.00 0.00 55.95 56.38 1x0o s SER 14 Cb -0.15 -0.15 -0.01 0.00 0.10 0.00 0.00 66.02 65.81 1x0o s SER 14 CO 0.08 0.14 -0.04 -0.13 0.98 0.00 0.00 173.24 174.27 1x0o s ARG 15 N -0.32 3.46 0.02 4.02 0.52 0.48 -1.10 118.95 126.04 1x0o s ARG 15 Ca 0.04 -0.60 -0.10 0.00 -0.52 0.00 0.00 55.73 54.56 1x0o s ARG 15 Cb -0.05 -2.97 0.01 0.00 0.52 0.00 0.00 34.95 32.46 1x0o s ARG 15 CO -0.00 -0.05 0.19 -3.38 0.02 0.00 0.00 175.30 172.08 1x0o s HIS 16 N 1.10 0.02 0.57 -0.53 -3.43 -0.35 -1.48 115.29 111.20 1x0o s HIS 16 Ca 0.01 -0.18 -0.16 0.00 -0.80 0.00 0.00 55.06 53.93 1x0o s HIS 16 Cb -0.15 -0.02 -0.05 0.00 -1.43 0.00 0.00 32.58 30.94 1x0o s HIS 16 CO -0.00 -0.39 1.05 1.21 -2.00 0.00 0.00 174.74 174.61 1x0o s ASN 17 N -1.82 5.93 0.65 7.38 2.47 0.63 0.11 114.94 130.29 1x0o s ASN 17 Ca -0.08 1.80 0.30 0.00 0.42 0.00 0.00 52.86 55.29 1x0o s ASN 17 Cb -0.03 -2.53 1.61 0.00 -1.45 0.00 0.00 41.25 38.85 1x0o s ASN 17 CO -0.02 -1.07 1.92 0.16 -3.72 0.00 0.00 177.10 174.38 1x0o h ILE 18 N 0.59 0.07 0.00 -5.21 3.07 -1.88 0.88 117.51 115.04 1x0o h ILE 18 Ca -0.47 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.94 1x0o h ILE 18 Cb 1.22 0.67 0.00 0.00 -0.27 0.00 0.00 36.82 38.43 1x0o h ILE 18 CO 0.58 0.00 0.00 -0.62 -1.05 0.00 0.00 178.15 177.06 1x0o n GLU 19 N -3.05 0.06 0.00 0.16 1.02 -1.26 -4.83 120.64 112.74 1x0o n GLU 19 Ca -0.00 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1x0o n GLU 19 Cb 0.42 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 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 0.52 0.74 3.63 0.62 0.00 0.30 -4.79 105.19 106.21 1x0o n GLY 20 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 4.35 -0.12 -0.61 -1.09 -0.94 -1.60 121.20 119.19 1x0o s ILE 21 Ca 0.00 1.52 -0.30 0.00 -2.23 0.00 0.00 60.65 59.64 1x0o s ILE 21 Cb 0.00 -4.38 -0.02 0.00 -1.58 0.00 0.00 42.46 36.48 1x0o s ILE 21 CO 0.00 -0.58 1.23 -0.36 -1.23 0.00 0.00 174.94 174.00 1x0o s PHE 22 N 4.01 3.01 -0.09 3.97 0.08 -0.79 -0.27 117.98 127.89 1x0o s PHE 22 Ca 0.49 1.11 0.09 0.00 0.12 0.00 0.00 56.93 58.74 1x0o s PHE 22 Cb -0.12 -3.46 -0.12 0.00 -0.57 0.00 0.00 43.02 38.74 1x0o s PHE 22 CO 0.21 -1.49 0.04 0.25 -0.10 0.00 0.00 175.22 174.12 1x0o n THR 23 N 5.05 0.64 -3.76 0.64 -2.24 -1.02 -1.31 114.28 112.28 1x0o n THR 23 Ca 0.13 -0.40 -0.24 0.00 -2.27 0.00 0.00 64.05 61.26 1x0o n THR 23 Cb 0.45 -0.70 -0.17 0.00 -2.10 0.00 0.00 70.33 67.81 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 -2.26 0.71 -0.08 4.78 5.36 -0.55 -4.99 117.98 120.95 1x0o s PHE 24 Ca -0.05 -0.30 0.03 0.00 -0.96 0.00 0.00 56.93 55.66 1x0o s PHE 24 Cb 0.03 -0.84 0.00 0.00 -0.34 0.00 0.00 43.02 41.88 1x0o s PHE 24 CO 0.40 -0.39 -0.19 0.08 -1.46 0.00 0.00 175.22 173.66 1x0o s VAL 25 N 1.96 1.68 0.46 3.12 1.01 -1.26 -0.39 120.40 126.98 1x0o s VAL 25 Ca 0.04 -0.80 -0.22 0.00 0.00 0.00 0.00 61.98 61.00 1x0o s VAL 25 Cb -0.13 -1.47 -0.09 0.00 0.00 0.00 0.00 36.38 34.69 1x0o s VAL 25 CO -0.06 0.48 1.05 -0.62 0.00 0.00 0.00 175.10 175.95 1x0o s ASP 26 N 0.44 6.46 0.35 3.32 -1.08 -1.01 -4.80 116.67 120.34 1x0o s ASP 26 Ca -0.16 1.99 0.24 0.00 -0.52 0.00 0.00 52.55 54.09 1x0o s ASP 26 Cb -0.17 -2.57 1.29 0.00 -1.46 0.00 0.00 42.92 40.01 1x0o s ASP 26 CO 0.07 -0.70 1.73 0.45 0.52 0.00 0.00 175.17 177.24 1x0o h HIS 27 N 1.88 0.00 0.00 -5.34 3.86 -1.91 -1.58 115.15 112.06 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 1.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.69 1x0o h HIS 27 CO 0.57 0.00 0.00 0.54 0.86 0.00 0.00 177.93 179.90 1x0o n ARG 28 N -2.34 0.04 -0.08 2.45 1.74 -1.26 -2.74 116.66 114.47 1x0o n ARG 28 Ca -0.01 0.42 0.08 0.00 -0.77 0.00 0.00 57.85 57.56 1x0o n ARG 28 Cb 0.05 -1.60 0.44 0.00 -1.02 0.00 0.00 32.46 30.33 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 0.54 1.25 0.01 0.00 -1.51 -1.15 0.22 116.25 115.61 1x0o h VAL 30 Ca 0.25 -1.19 -0.00 0.00 -1.23 0.00 0.00 66.70 64.52 1x0o h VAL 30 Cb 0.28 1.62 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 1x0o h VAL 30 CO -0.07 0.34 -0.00 0.00 -1.23 0.00 0.00 177.57 176.61 1x0o h ALA 31 N 1.63 -0.01 0.03 5.19 0.00 -1.50 -1.31 119.26 123.28 1x0o h ALA 31 Ca 0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1x0o h ALA 31 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1x0o h ALA 31 CO 0.05 -0.03 -0.02 1.15 0.00 0.00 0.00 179.25 180.40 1x0o h THR 32 N -0.96 1.16 0.00 0.00 2.02 -1.42 -3.38 112.91 110.32 1x0o h THR 32 Ca -0.00 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1x0o h THR 32 Cb 0.83 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 1x0o h THR 32 CO 0.00 0.16 -0.09 1.33 0.37 0.00 0.00 175.52 177.28 1x0o n VAL 33 N -4.98 0.72 0.00 3.16 0.24 0.02 -4.85 118.33 112.64 1x0o n VAL 33 Ca -0.08 -0.81 0.00 0.00 -2.04 0.00 0.00 64.34 61.41 1x0o n VAL 33 Cb 0.16 0.48 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 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 -0.47 1.80 3.76 7.63 0.00 -0.50 -0.41 105.19 117.01 1x0o n GLY 34 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.21 3.27 0.44 1.61 2.02 -1.24 -4.59 117.35 118.66 1x0o s TYR 35 Ca 0.00 1.55 -0.12 0.00 -0.37 0.00 0.00 57.07 58.12 1x0o s TYR 35 Cb 0.00 -3.49 -0.07 0.00 -0.40 0.00 0.00 41.96 38.00 1x0o s TYR 35 CO 0.00 -1.26 0.84 -0.65 -1.57 0.00 0.00 175.55 172.91 1x0o s GLN 36 N -1.68 3.82 0.20 -0.62 -1.52 -1.26 -1.76 119.66 116.84 1x0o s GLN 36 Ca 0.48 0.62 -0.14 0.00 -1.95 0.00 0.00 55.36 54.37 1x0o s GLN 36 Cb -0.36 -2.30 0.21 0.00 -0.22 0.00 0.00 33.01 30.34 1x0o s GLN 36 CO 0.47 -0.12 1.63 -1.35 -0.25 0.00 0.00 175.29 175.67 1x0o h PRO 37 N 1.10 -0.01 -0.53 2.91 0.11 -1.87 -0.73 132.00 132.99 1x0o h PRO 37 Ca -0.47 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.72 1x0o h PRO 37 Cb 1.19 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 1x0o h PRO 37 CO 0.63 -0.01 0.19 1.96 -0.21 0.00 0.00 178.00 180.56 1x0o h GLN 38 N -0.01 0.36 0.00 1.05 1.08 -1.92 -2.09 115.11 113.57 1x0o h GLN 38 Ca 0.28 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.43 1x0o h GLN 38 Cb 0.44 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1x0o h GLN 38 CO -0.62 0.24 -0.13 0.93 -0.95 0.00 0.00 178.83 178.30 1x0o h GLU 39 N 0.37 0.00 0.00 1.46 4.39 -1.51 -2.10 114.58 117.18 1x0o h GLU 39 Ca 0.26 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.80 1x0o h GLU 39 Cb 0.28 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 1x0o h GLU 39 CO -0.26 0.13 -1.34 1.25 -1.16 0.00 0.00 179.01 177.63 1x0o h LEU 40 N 0.00 0.00 -9.18 1.33 5.85 -1.17 -3.45 115.31 108.70 1x0o h LEU 40 Ca -0.00 0.00 -0.56 0.00 0.84 0.00 0.00 57.88 58.16 1x0o h LEU 40 Cb 0.23 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.27 1x0o h LEU 40 CO 0.02 0.56 1.35 -0.76 -0.34 0.00 0.00 178.44 179.27 1x0o s LEU 41 N -5.83 3.97 0.00 2.25 1.43 -0.79 -1.35 118.68 118.36 1x0o s LEU 41 Ca -0.02 2.29 0.00 0.00 -1.03 0.00 0.00 54.13 55.37 1x0o s LEU 41 Cb 0.09 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.78 1x0o s LEU 41 CO 0.81 -1.48 0.00 0.61 0.23 0.00 0.00 176.35 176.52 1x0o n GLY 42 N 5.11 1.32 3.89 -3.19 0.00 -0.43 -4.99 105.19 106.90 1x0o n GLY 42 Ca 0.24 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.54 3.24 0.27 1.61 -0.14 -0.46 -4.81 119.74 118.90 1x0o s LYS 43 Ca 0.00 -0.68 -0.19 0.00 -1.36 0.00 0.00 55.97 53.74 1x0o s LYS 43 Cb 0.00 -2.86 -0.09 0.00 -1.68 0.00 0.00 37.83 33.20 1x0o s LYS 43 CO 0.00 0.52 0.77 -0.80 -0.76 0.00 0.00 175.35 175.08 1x0o s ASN 44 N -3.09 7.01 0.56 2.83 -0.87 -1.26 -1.89 114.94 118.23 1x0o s ASN 44 Ca 0.33 1.45 0.27 0.00 -1.57 0.00 0.00 52.86 53.34 1x0o s ASN 44 Cb -0.11 -2.43 1.63 0.00 -0.02 0.00 0.00 41.25 40.32 1x0o s ASN 44 CO 0.26 -0.06 2.19 -0.29 -2.57 0.00 0.00 177.10 176.63 1x0o h ILE 45 N 2.48 0.62 0.00 0.60 2.10 -1.60 -1.63 117.51 120.08 1x0o h ILE 45 Ca -0.48 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.30 1x0o h ILE 45 Cb 1.19 1.10 0.00 0.00 -1.09 0.00 0.00 36.82 38.02 1x0o h ILE 45 CO 0.65 0.04 0.00 1.62 -1.08 0.00 0.00 178.15 179.38 1x0o h VAL 46 N 0.00 0.00 0.00 2.19 3.04 -1.89 -2.03 116.25 117.55 1x0o h VAL 46 Ca -0.00 -0.42 -0.16 0.00 -1.01 0.00 0.00 66.70 65.11 1x0o h VAL 46 Cb 0.10 1.31 -0.02 0.00 -2.01 0.00 0.00 31.29 30.67 1x0o h VAL 46 CO 0.01 0.00 -0.76 -0.33 -1.01 0.00 0.00 177.57 175.47 1x0o h GLU 47 N 0.00 0.00 -0.21 4.17 4.39 -1.68 -3.22 114.58 118.03 1x0o h GLU 47 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1x0o h GLU 47 Cb 0.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1x0o h GLU 47 CO 0.00 0.76 0.00 1.19 -1.16 0.00 0.00 179.01 179.80 1x0o n PHE 48 N -3.55 0.47 -3.18 4.33 3.72 -1.11 -4.99 117.46 113.16 1x0o n PHE 48 Ca -0.00 -0.68 -0.37 0.00 -0.05 0.00 0.00 57.45 56.34 1x0o n PHE 48 Cb 0.76 -0.14 -0.06 0.00 -0.94 0.00 0.00 39.48 39.10 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 1.18 1.82 -0.30 0.00 -0.00 0.60 -4.72 115.22 113.80 1x0o n HIS 50 Ca -0.06 0.51 0.26 0.00 0.46 0.00 0.00 57.72 58.89 1x0o n HIS 50 Cb 0.51 -2.42 0.59 0.00 -0.12 0.00 0.00 29.99 28.55 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 5.73 0.25 -0.00 1.57 0.13 -1.94 0.64 132.00 138.38 1x0o h PRO 51 Ca -0.47 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1x0o h PRO 51 Cb 1.31 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1x0o h PRO 51 CO 0.85 0.17 -0.14 0.39 -0.23 0.00 0.00 178.00 179.04 1x0o n GLU 52 N -4.47 0.02 -0.00 0.86 1.02 -1.26 -3.71 120.64 113.10 1x0o n GLU 52 Ca 0.24 -0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.43 1x0o n GLU 52 Cb 0.95 -1.50 -0.07 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 -1.49 1.12 -0.34 1.62 9.92 0.21 -4.43 116.55 123.16 1x0o n ASP 53 Ca 0.07 -0.52 -0.03 0.00 -0.53 0.00 0.00 54.79 53.78 1x0o n ASP 53 Cb 0.34 1.15 0.09 0.00 -0.64 0.00 0.00 41.12 42.06 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 0.00 1.18 0.01 -1.24 4.20 -1.32 0.41 115.11 118.36 1x0o h GLN 54 Ca 0.00 -0.07 -0.19 0.00 0.06 0.00 0.00 58.65 58.44 1x0o h GLN 54 Cb 0.32 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1x0o h GLN 54 CO 0.00 0.78 -0.91 1.96 -0.67 0.00 0.00 178.83 180.00 1x0o h GLN 55 N 1.22 0.08 -0.04 1.46 1.08 -1.80 0.16 115.11 117.27 1x0o h GLN 55 Ca 0.33 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.42 1x0o h GLN 55 Cb -0.13 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.33 1x0o h GLN 55 CO -0.08 0.93 -0.02 1.25 -0.95 0.00 0.00 178.83 179.96 1x0o h LEU 56 N 0.04 0.09 -0.57 1.46 6.46 -1.58 0.45 115.31 121.66 1x0o h LEU 56 Ca -0.03 -0.42 -0.01 0.00 -0.12 0.00 0.00 57.88 57.30 1x0o h LEU 56 Cb 1.57 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 41.45 1x0o h LEU 56 CO 0.13 0.50 0.33 0.25 -0.62 0.00 0.00 178.44 179.02 1x0o h LEU 57 N -0.31 0.70 0.19 2.25 5.85 -0.27 -1.76 115.31 121.96 1x0o h LEU 57 Ca 0.01 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1x0o h LEU 57 Cb 0.46 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1x0o h LEU 57 CO 0.01 0.57 -0.25 -0.09 -0.34 0.00 0.00 178.44 178.34 1x0o h ARG 58 N 0.77 -0.48 -0.40 1.25 2.43 -0.79 0.31 114.38 117.48 1x0o h ARG 58 Ca 0.20 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.45 1x0o h ARG 58 Cb 0.02 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1x0o h ARG 58 CO -0.04 -0.32 0.27 0.22 -1.51 0.00 0.00 179.97 178.59 1x0o h ASP 59 N -0.49 0.29 0.66 -3.80 3.58 -0.79 -0.78 116.42 115.09 1x0o h ASP 59 Ca 0.01 -0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.25 1x0o h ASP 59 Cb 0.48 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 1x0o h ASP 59 CO -0.09 0.20 -0.93 0.28 -2.88 0.00 0.00 179.24 175.81 1x0o h SER 60 N 0.34 0.22 0.26 2.28 0.02 -0.72 -1.59 113.55 114.36 1x0o h SER 60 Ca 0.17 -0.19 -0.11 0.00 -0.84 0.00 0.00 61.79 60.81 1x0o h SER 60 Cb 0.25 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1x0o h SER 60 CO -0.04 1.03 -0.45 -0.26 -1.14 0.00 0.00 176.83 175.98 1x0o h PHE 61 N 0.08 0.28 -0.65 3.45 -1.00 0.17 -0.83 116.94 118.44 1x0o h PHE 61 Ca -0.05 -0.08 -0.06 0.00 2.81 0.00 0.00 57.97 60.59 1x0o h PHE 61 Cb 1.59 -0.06 -0.03 0.00 3.61 0.00 0.00 35.95 41.06 1x0o h PHE 61 CO 0.03 0.65 0.16 1.96 -1.61 0.00 0.00 178.31 179.49 1x0o h GLN 62 N 0.19 1.02 -0.08 1.51 4.20 -0.95 -2.50 115.11 118.51 1x0o h GLN 62 Ca 0.01 -0.23 -0.12 0.00 0.06 0.00 0.00 58.65 58.38 1x0o h GLN 62 Cb 0.87 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 1x0o h GLN 62 CO 0.07 0.90 -0.48 1.96 -0.67 0.00 0.00 178.83 180.61 1x0o h GLN 63 N 0.97 0.20 0.00 1.46 4.20 -0.71 -1.41 115.11 119.81 1x0o h GLN 63 Ca 0.21 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.74 1x0o h GLN 63 Cb 0.34 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1x0o h GLN 63 CO 0.00 0.64 -0.35 -0.24 -0.67 0.00 0.00 178.83 178.21 1x0o h VAL 64 N 0.16 0.83 0.00 -0.54 3.04 -0.89 0.89 116.25 119.74 1x0o h VAL 64 Ca 0.01 -1.43 -0.09 0.00 -1.01 0.00 0.00 66.70 64.18 1x0o h VAL 64 Cb 0.91 1.89 -0.01 0.00 -2.01 0.00 0.00 31.29 32.07 1x0o h VAL 64 CO 0.07 0.34 -0.42 0.58 -1.01 0.00 0.00 177.57 177.13 1x0o h VAL 65 N 0.00 0.89 0.21 1.51 2.07 -1.01 -2.72 116.25 117.20 1x0o h VAL 65 Ca -0.00 -1.72 -0.32 0.00 0.82 0.00 0.00 66.70 65.48 1x0o h VAL 65 Cb 0.86 2.06 0.03 0.00 -1.52 0.00 0.00 31.29 32.72 1x0o h VAL 65 CO 0.04 0.41 -1.43 0.11 0.02 0.00 0.00 177.57 176.72 1x0o h LYS 66 N 0.00 0.44 -1.01 1.57 1.57 -0.11 -3.33 116.57 115.71 1x0o h LYS 66 Ca -0.00 -0.76 -0.42 0.00 -1.87 0.00 0.00 60.65 57.60 1x0o h LYS 66 Cb 1.03 0.28 -0.24 0.00 0.08 0.00 0.00 32.23 33.38 1x0o h LYS 66 CO 0.05 1.36 0.53 1.28 -0.57 0.00 0.00 179.45 182.10 1x0o n LEU 67 N -3.64 6.02 -2.09 2.94 4.77 0.30 -5.00 117.00 120.29 1x0o n LEU 67 Ca -0.15 -3.20 -0.30 0.00 -0.03 0.00 0.00 56.01 52.34 1x0o n LEU 67 Cb 1.08 -0.78 -0.06 0.00 -2.33 0.00 0.00 43.42 41.33 1x0o n LEU 67 CO 0.58 0.95 0.85 0.29 -1.33 0.00 0.00 177.39 178.73 1x0o n LYS 68 N -0.78 0.00 0.00 3.23 5.02 -1.03 0.39 118.16 124.99 1x0o n LYS 68 Ca 0.47 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 1x0o n LYS 68 Cb 1.39 -0.74 0.00 0.00 -0.02 0.00 0.00 35.03 35.67 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 3.70 2.72 3.87 0.72 0.00 -1.26 -5.03 105.19 109.91 1x0o n GLY 69 Ca 0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.60 3.71 -0.27 1.61 -0.21 0.16 -4.96 119.66 119.10 1x0o s GLN 70 Ca 0.00 0.11 -0.29 0.00 0.02 0.00 0.00 55.36 55.20 1x0o s GLN 70 Cb 0.00 -3.03 0.00 0.00 1.00 0.00 0.00 33.01 30.99 1x0o s GLN 70 CO 0.00 0.59 1.22 0.54 -2.12 0.00 0.00 175.29 175.52 1x0o s VAL 71 N -1.36 4.30 -0.32 1.09 0.11 -1.26 -4.53 120.40 118.43 1x0o s VAL 71 Ca 0.31 1.51 -0.10 0.00 -2.93 0.00 0.00 61.98 60.77 1x0o s VAL 71 Cb -0.14 -4.20 -0.01 0.00 -1.53 0.00 0.00 36.38 30.51 1x0o s VAL 71 CO 0.17 -0.38 0.17 -0.22 -3.33 0.00 0.00 175.10 171.51 1x0o s LEU 72 N 3.92 4.20 -0.24 2.54 1.98 0.26 -4.85 118.68 126.50 1x0o s LEU 72 Ca 0.52 -0.53 -0.20 0.00 -2.89 0.00 0.00 54.13 51.03 1x0o s LEU 72 Cb -0.17 -2.02 -0.02 0.00 0.66 0.00 0.00 46.19 44.64 1x0o s LEU 72 CO 0.18 -0.21 0.61 -0.94 -1.89 0.00 0.00 176.35 174.10 1x0o s SER 73 N 1.63 6.59 -0.09 3.68 1.04 -1.26 -0.06 113.70 125.22 1x0o s SER 73 Ca 0.05 0.72 0.03 0.00 0.48 0.00 0.00 55.95 57.22 1x0o s SER 73 Cb -0.17 -2.33 0.01 0.00 0.10 0.00 0.00 66.02 63.63 1x0o s SER 73 CO 0.07 -0.32 -0.18 0.54 0.98 0.00 0.00 173.24 174.33 1x0o s VAL 74 N 2.26 1.61 -0.18 5.02 0.11 -0.55 -4.96 120.40 123.71 1x0o s VAL 74 Ca 0.26 -0.74 -0.05 0.00 -2.93 0.00 0.00 61.98 58.52 1x0o s VAL 74 Cb -0.16 -1.43 -0.03 0.00 -1.53 0.00 0.00 36.38 33.23 1x0o s VAL 74 CO 0.09 0.46 0.01 -0.32 -3.33 0.00 0.00 175.10 172.01 1x0o s MET 75 N 0.65 3.75 0.35 1.54 1.75 -1.26 -0.19 119.30 125.90 1x0o s MET 75 Ca -0.13 -0.46 -0.17 0.00 -1.25 0.00 0.00 55.69 53.67 1x0o s MET 75 Cb -0.16 -3.07 0.06 0.00 2.84 0.00 0.00 34.83 34.50 1x0o s MET 75 CO 0.04 0.17 0.83 -0.59 -0.65 0.00 0.00 175.02 174.83 1x0o s PHE 76 N 0.58 0.10 -0.21 4.11 -0.71 -0.17 -4.91 117.98 116.76 1x0o s PHE 76 Ca -0.00 -0.73 -0.05 0.00 -1.04 0.00 0.00 56.93 55.10 1x0o s PHE 76 Cb -0.14 0.81 -0.02 0.00 -1.21 0.00 0.00 43.02 42.46 1x0o s PHE 76 CO 0.02 -1.45 0.01 1.03 -1.34 0.00 0.00 175.22 173.49 1x0o s ARG 77 N -2.31 3.60 -0.09 1.99 0.52 -1.25 -0.51 118.95 120.90 1x0o s ARG 77 Ca 0.16 -0.52 -0.09 0.00 -0.52 0.00 0.00 55.73 54.76 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 0.10 -0.05 0.21 0.12 0.02 0.00 0.00 175.30 175.70 1x0o s PHE 78 N 1.19 3.63 -0.49 -0.53 2.19 0.06 -0.29 117.98 123.73 1x0o s PHE 78 Ca 0.03 0.65 -0.27 0.00 0.33 0.00 0.00 56.93 57.67 1x0o s PHE 78 Cb -0.14 -2.03 0.03 0.00 -1.31 0.00 0.00 43.02 39.56 1x0o s PHE 78 CO 0.01 0.71 1.07 0.50 1.83 0.00 0.00 175.22 179.34 1x0o s ARG 79 N -1.03 3.60 1.24 10.12 3.52 0.77 -1.22 118.95 135.96 1x0o s ARG 79 Ca 0.17 0.33 -0.18 0.00 -0.13 0.00 0.00 55.73 55.92 1x0o s ARG 79 Cb -0.13 -3.94 0.30 0.00 -1.56 0.00 0.00 34.95 29.62 1x0o s ARG 79 CO 0.06 -1.39 1.04 -1.54 -0.81 0.00 0.00 175.30 172.67 1x0o s SER 80 N 2.50 0.55 0.00 -2.12 1.04 0.14 -4.85 113.70 110.96 1x0o s SER 80 Ca 0.43 0.91 0.19 0.00 0.48 0.00 0.00 55.95 57.95 1x0o s SER 80 Cb -0.08 -1.34 0.84 0.00 0.10 0.00 0.00 66.02 65.54 1x0o s SER 80 CO 0.28 -4.38 1.59 1.17 0.98 0.00 0.00 173.24 172.88 1x0o n LYS 81 N -4.97 0.09 -0.35 4.02 3.00 0.45 -0.87 118.16 119.52 1x0o n LYS 81 Ca 0.10 0.16 0.11 0.00 -0.00 0.00 0.00 58.31 58.68 1x0o n LYS 81 Cb 0.59 -1.50 0.30 0.00 0.00 0.00 0.00 35.03 34.41 1x0o n LYS 81 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1x0o n ASN 82 N -1.43 3.82 -2.52 3.14 0.23 -1.26 -4.95 115.26 112.29 1x0o n ASN 82 Ca 0.06 -2.01 -0.15 0.00 -0.53 0.00 0.00 54.58 51.94 1x0o n ASN 82 Cb 0.20 -0.45 0.05 0.00 -2.08 0.00 0.00 39.78 37.50 1x0o n ASN 82 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1x0o n GLN 83 N 1.45 -5.12 -4.37 -3.83 3.00 -0.05 -5.04 117.38 103.43 1x0o n GLN 83 Ca 0.23 0.54 -0.23 0.00 -0.01 0.00 0.00 57.00 57.52 1x0o n GLN 83 Cb 0.60 -4.70 -0.08 0.00 0.00 0.00 0.00 30.24 26.06 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 -5.77 2.04 -0.55 -1.09 0.41 -1.25 -4.90 118.70 107.58 1x0o s GLU 84 Ca 0.35 -1.56 -0.00 0.00 -0.41 0.00 0.00 54.97 53.34 1x0o s GLU 84 Cb -0.15 -2.00 0.14 0.00 -1.78 0.00 0.00 34.13 30.34 1x0o s GLU 84 CO 0.47 0.35 0.33 -1.58 -0.49 0.00 0.00 175.26 174.34 1x0o s TRP 85 N -2.40 3.39 0.61 1.61 0.52 -1.25 0.29 118.94 121.70 1x0o s TRP 85 Ca 0.31 -2.85 -0.08 0.00 0.02 0.00 0.00 56.10 53.50 1x0o s TRP 85 Cb -0.06 -3.07 -0.00 0.00 -1.15 0.00 0.00 33.47 29.19 1x0o s TRP 85 CO 0.18 -0.83 0.95 -0.48 0.02 0.00 0.00 176.95 176.79 1x0o s LEU 86 N 0.07 3.20 -0.23 2.99 -0.00 -0.36 -3.96 118.68 120.39 1x0o s LEU 86 Ca 0.16 0.96 -0.20 0.00 -0.00 0.00 0.00 54.13 55.05 1x0o s LEU 86 Cb -0.22 -3.83 -0.02 0.00 -0.00 0.00 0.00 46.19 42.12 1x0o s LEU 86 CO -0.03 -1.04 0.59 0.26 -0.00 0.00 0.00 176.35 176.13 1x0o s TRP 87 N -3.08 3.32 0.04 3.48 0.52 -0.36 -0.76 118.94 122.11 1x0o s TRP 87 Ca 0.54 0.81 0.03 0.00 0.02 0.00 0.00 56.10 57.50 1x0o s TRP 87 Cb -0.11 -2.78 -0.02 0.00 -1.15 0.00 0.00 33.47 29.41 1x0o s TRP 87 CO 0.48 -0.24 -0.09 0.00 0.02 0.00 0.00 176.95 177.13 1x0o s MET 88 N 2.16 0.57 -0.30 4.98 0.23 0.34 0.10 119.30 127.38 1x0o s MET 88 Ca 0.26 -0.73 -0.04 0.00 -1.03 0.00 0.00 55.69 54.15 1x0o s MET 88 Cb -0.16 -0.40 0.03 0.00 -1.53 0.00 0.00 34.83 32.77 1x0o s MET 88 CO 0.09 0.08 0.04 0.50 -2.03 0.00 0.00 175.02 173.70 1x0o s ARG 89 N -1.44 2.76 -0.11 3.16 3.52 0.23 -1.00 118.95 126.07 1x0o s ARG 89 Ca -0.07 -1.06 -0.16 0.00 -0.13 0.00 0.00 55.73 54.31 1x0o s ARG 89 Cb -0.09 -3.26 -0.05 0.00 -1.56 0.00 0.00 34.95 29.99 1x0o s ARG 89 CO 0.01 -0.53 0.40 0.99 -0.81 0.00 0.00 175.30 175.36 1x0o s THR 90 N 1.38 5.21 -0.44 4.11 2.01 0.74 -2.41 115.64 126.24 1x0o s THR 90 Ca -0.01 0.80 -0.22 0.00 0.31 0.00 0.00 61.69 62.57 1x0o s THR 90 Cb -0.18 -3.74 0.02 0.00 0.01 0.00 0.00 72.50 68.62 1x0o s THR 90 CO 0.00 0.39 0.71 -0.44 -0.69 0.00 0.00 174.62 174.59 1x0o s SER 91 N 0.31 6.37 -0.15 3.53 0.01 0.79 -1.49 113.70 123.06 1x0o s SER 91 Ca 0.22 -0.22 -0.17 0.00 1.31 0.00 0.00 55.95 57.09 1x0o s SER 91 Cb -0.15 -2.35 -0.04 0.00 0.21 0.00 0.00 66.02 63.69 1x0o s SER 91 CO 0.09 -0.84 0.45 -0.44 0.41 0.00 0.00 173.24 172.90 1x0o s SER 92 N 2.06 6.59 -0.03 2.44 0.01 0.91 -2.14 113.70 123.55 1x0o s SER 92 Ca 0.26 0.71 0.03 0.00 1.31 0.00 0.00 55.95 58.25 1x0o s SER 92 Cb -0.13 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1x0o s SER 92 CO 0.21 -0.04 -0.10 0.12 0.41 0.00 0.00 173.24 173.84 1x0o s PHE 93 N 0.91 1.10 -0.35 2.43 5.36 -0.77 -0.57 117.98 126.09 1x0o s PHE 93 Ca 0.23 -0.29 -0.10 0.00 -0.96 0.00 0.00 56.93 55.81 1x0o s PHE 93 Cb -0.15 -0.78 0.01 0.00 -0.34 0.00 0.00 43.02 41.76 1x0o s PHE 93 CO 0.09 -0.12 0.19 0.95 -1.46 0.00 0.00 175.22 174.86 1x0o s THR 94 N 0.21 4.59 -0.65 0.12 -4.23 -1.26 -0.18 115.64 114.25 1x0o s THR 94 Ca -0.04 -0.69 -0.27 0.00 -1.18 0.00 0.00 61.69 59.51 1x0o s THR 94 Cb -0.10 -3.48 0.04 0.00 1.34 0.00 0.00 72.50 70.30 1x0o s THR 94 CO 0.01 -0.12 1.17 0.12 -0.54 0.00 0.00 174.62 175.25 1x0o s PHE 95 N 1.58 2.51 -0.27 3.99 5.36 -0.85 -4.02 117.98 126.27 1x0o s PHE 95 Ca 0.03 0.08 -0.29 0.00 -0.96 0.00 0.00 56.93 55.79 1x0o s PHE 95 Cb -0.18 -4.48 -0.00 0.00 -0.34 0.00 0.00 43.02 38.02 1x0o s PHE 95 CO 0.07 -1.75 1.33 -0.65 -1.46 0.00 0.00 175.22 172.76 1x0o s GLN 96 N 5.03 3.94 0.04 10.12 -0.21 -1.25 -1.92 119.66 135.42 1x0o s GLN 96 Ca 0.36 1.35 -0.31 0.00 0.02 0.00 0.00 55.36 56.78 1x0o s GLN 96 Cb -0.09 -3.88 -0.10 0.00 1.00 0.00 0.00 33.01 29.94 1x0o s GLN 96 CO 0.19 -1.09 1.94 -1.71 -2.12 0.00 0.00 175.29 172.51 1x0o n ASN 97 N 7.58 4.09 0.01 5.90 2.85 0.93 -4.76 115.26 131.87 1x0o n ASN 97 Ca 0.15 0.92 0.23 0.00 -0.11 0.00 0.00 54.58 55.77 1x0o n ASN 97 Cb 0.46 -1.52 0.70 0.00 1.24 0.00 0.00 39.78 40.67 1x0o n ASN 97 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1x0o h PRO 98 N 10.11 0.00 -0.42 1.20 0.13 -1.93 0.75 132.00 141.83 1x0o h PRO 98 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1x0o h PRO 98 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1x0o h PRO 98 CO 0.94 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.37 1x0o n TYR 99 N -3.70 0.56 -0.04 1.56 4.02 -1.26 -4.57 117.16 113.73 1x0o n TYR 99 Ca 0.11 -0.41 0.00 0.00 -0.01 0.00 0.00 57.90 57.59 1x0o n TYR 99 Cb 0.80 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 40.11 1x0o n TYR 99 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1x0o n SER 100 N 0.97 0.00 0.00 7.72 7.64 0.15 -5.02 113.62 125.09 1x0o n SER 100 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1x0o n SER 100 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 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 0.00 -4.32 -4.95 6.43 8.00 0.24 -4.93 116.55 117.02 1x0o n ASP 101 Ca 0.00 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.26 1x0o n ASP 101 Cb 0.00 -2.79 0.05 0.00 -0.02 0.00 0.00 41.12 38.36 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 -1.48 2.41 -0.52 -1.24 -1.05 -1.26 -4.69 118.70 110.87 1x0o s GLU 102 Ca 0.00 -0.48 -0.19 0.00 -0.15 0.00 0.00 54.97 54.15 1x0o s GLU 102 Cb 0.00 -2.33 0.07 0.00 -0.44 0.00 0.00 34.13 31.43 1x0o s GLU 102 CO 0.00 -0.95 0.61 0.42 0.95 0.00 0.00 175.26 176.29 1x0o s ILE 103 N -3.00 4.91 0.23 1.83 -1.09 -1.26 -0.05 121.20 122.77 1x0o s ILE 103 Ca 0.58 -0.63 -0.02 0.00 -2.23 0.00 0.00 60.65 58.35 1x0o s ILE 103 Cb -0.11 -4.31 0.03 0.00 -1.58 0.00 0.00 42.46 36.49 1x0o s ILE 103 CO 0.42 -0.83 1.64 1.05 -1.23 0.00 0.00 174.94 175.98 1x0o h GLU 104 N 9.00 0.63 -1.99 2.79 4.11 -1.76 -3.48 114.58 123.88 1x0o h GLU 104 Ca -0.28 -0.27 0.31 0.00 0.07 0.00 0.00 59.36 59.18 1x0o h GLU 104 Cb 1.10 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.25 1x0o h GLU 104 CO 0.98 0.86 0.82 1.52 0.07 0.00 0.00 179.01 183.25 1x0o s TYR 105 N -4.45 0.01 -0.08 2.06 -0.85 -1.26 -4.84 117.35 107.94 1x0o s TYR 105 Ca -0.08 -0.17 -0.07 0.00 -0.52 0.00 0.00 57.07 56.23 1x0o s TYR 105 Cb 0.13 0.58 -0.04 0.00 0.38 0.00 0.00 41.96 43.01 1x0o s TYR 105 CO 0.82 -0.39 0.18 0.42 -1.52 0.00 0.00 175.55 175.07 1x0o s ILE 106 N -2.20 5.44 -0.32 -3.49 1.01 0.12 -2.01 121.20 119.74 1x0o s ILE 106 Ca 0.23 0.19 -0.02 0.00 0.00 0.00 0.00 60.65 61.05 1x0o s ILE 106 Cb 0.01 -3.47 0.06 0.00 0.01 0.00 0.00 42.46 39.07 1x0o s ILE 106 CO -0.01 0.54 0.04 -0.63 0.00 0.00 0.00 174.94 174.88 1x0o s ILE 107 N -1.12 3.02 -0.19 2.92 1.01 0.75 -1.21 121.20 126.39 1x0o s ILE 107 Ca 0.19 -1.56 0.00 0.00 0.00 0.00 0.00 60.65 59.28 1x0o s ILE 107 Cb -0.13 -2.83 0.02 0.00 0.01 0.00 0.00 42.46 39.53 1x0o s ILE 107 CO 0.09 -0.25 -0.17 0.00 0.00 0.00 0.00 174.94 174.61 1x0o s THR 109 N 1.31 4.96 -0.26 0.00 2.01 -0.91 -1.27 115.64 121.48 1x0o s THR 109 Ca 0.05 1.15 0.01 0.00 0.31 0.00 0.00 61.69 63.21 1x0o s THR 109 Cb -0.14 -3.89 0.05 0.00 0.01 0.00 0.00 72.50 68.54 1x0o s THR 109 CO -0.11 0.43 -0.09 0.20 -0.69 0.00 0.00 174.62 174.36 1x0o s ASN 110 N -0.19 4.41 -0.35 3.53 0.01 -0.53 -0.15 114.94 121.66 1x0o s ASN 110 Ca 0.29 -1.23 -0.08 0.00 -0.71 0.00 0.00 52.86 51.13 1x0o s ASN 110 Cb -0.18 -1.60 0.03 0.00 0.41 0.00 0.00 41.25 39.92 1x0o s ASN 110 CO 0.16 -0.18 0.14 -0.89 -1.51 0.00 0.00 177.10 174.82 1x0o s THR 111 N 1.18 4.11 -0.48 1.60 2.01 -1.01 -2.16 115.64 120.90 1x0o s THR 111 Ca -0.06 -0.99 -0.28 0.00 0.31 0.00 0.00 61.69 60.67 1x0o s THR 111 Cb -0.19 -3.30 0.03 0.00 0.01 0.00 0.00 72.50 69.05 1x0o s THR 111 CO -0.05 -0.18 1.09 0.21 -0.69 0.00 0.00 174.62 175.00 1x0o s ASN 112 N 1.47 6.59 0.00 3.53 3.04 -1.24 -0.60 114.94 127.73 1x0o s ASN 112 Ca 0.00 0.36 0.00 0.00 0.04 0.00 0.00 52.86 53.26 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 0.04 -1.21 0.00 0.52 -3.04 0.00 0.00 177.10 173.41 1x0o n VAL 113 N 6.75 0.00 -2.74 -5.21 0.31 0.11 -4.96 118.33 112.59 1x0o n VAL 113 Ca 0.10 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.22 1x0o n VAL 113 Cb 0.49 -0.03 0.08 0.00 -0.91 0.00 0.00 33.84 33.47 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 0.08 2.04 0.38 5.55 -2.85 -1.23 -4.97 119.74 118.75 1x0o s LYS 114 Ca 0.00 -1.22 0.08 0.00 -1.00 0.00 0.00 55.97 53.83 1x0o s LYS 114 Cb 0.00 -2.47 -0.06 0.00 -2.06 0.00 0.00 37.83 33.25 1x0o s LYS 114 CO 0.00 -1.11 0.10 0.54 0.10 0.00 0.00 175.35 174.97 1x0o s ASN 115 N -4.65 4.29 -0.78 0.03 2.20 -1.26 -1.22 114.94 113.54 1x0o s ASN 115 Ca 0.63 -1.06 -0.25 0.00 -0.94 0.00 0.00 52.86 51.24 1x0o s ASN 115 Cb -0.06 -0.51 -0.02 0.00 -2.00 0.00 0.00 41.25 38.65 1x0o s ASN 115 CO 0.41 -0.40 1.83 -0.55 -2.94 0.00 0.00 177.10 175.46 1x0o s SER 116 N -3.81 5.36 -1.28 3.54 0.15 -1.25 -4.60 113.70 111.80 1x0o s SER 116 Ca 0.38 -0.31 -0.08 0.00 0.70 0.00 0.00 55.95 56.64 1x0o s SER 116 Cb 0.03 -2.55 -0.09 0.00 -1.71 0.00 0.00 66.02 61.70 1x0o s SER 116 CO 0.21 -2.45 2.75 -1.20 1.20 0.00 0.00 173.24 173.74 1x0o n SER 117 N 12.83 7.33 -1.52 5.45 7.64 -1.26 -4.32 113.62 139.76 1x0o n SER 117 Ca 0.29 -2.48 -0.12 0.00 1.01 0.00 0.00 58.87 57.57 1x0o n SER 117 Cb 0.49 -1.40 0.09 0.00 -1.01 0.00 0.00 64.21 62.38 1x0o n SER 117 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1x0o n GLN 118 N 3.67 2.79 0.00 1.43 7.27 -1.26 -5.23 117.38 126.04 1x0o n GLN 118 Ca 0.66 -3.81 0.02 0.00 0.07 0.00 0.00 57.00 53.93 1x0o n GLN 118 Cb 0.25 -1.99 0.01 0.00 2.41 0.00 0.00 30.24 30.92 1x0o n GLN 118 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28