#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x0o s ALA 2 N 0.00 1.53 0.08 4.61 0.00 -1.26 -4.88 121.76 121.84 1x0o s ALA 2 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 51.96 49.87 1x0o s ALA 2 Cb 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.41 1x0o s ALA 2 CO 0.00 -1.99 0.00 -0.12 0.00 0.00 0.00 175.76 173.65 1x0o n MET 3 N 4.05 0.00 -3.15 0.00 1.56 -1.26 -4.61 117.12 113.71 1x0o n MET 3 Ca 0.07 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 57.08 1x0o n MET 3 Cb 0.37 0.00 -0.07 0.00 2.15 0.00 0.00 33.22 35.67 1x0o n MET 3 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 1x0o s ASP 4 N -1.38 6.35 -0.09 6.12 -1.08 -1.26 -5.01 116.67 120.32 1x0o s ASP 4 Ca 0.00 -0.13 -0.30 0.00 -0.52 0.00 0.00 52.55 51.60 1x0o s ASP 4 Cb 0.00 -2.30 0.10 0.00 -1.46 0.00 0.00 42.92 39.25 1x0o s ASP 4 CO 0.00 -0.64 0.84 0.54 0.52 0.00 0.00 175.17 176.43 1x0o s ASN 5 N 1.87 -0.51 -0.19 -0.34 2.20 -1.26 -5.02 114.94 111.69 1x0o s ASN 5 Ca 0.22 0.52 -0.30 0.00 -0.94 0.00 0.00 52.86 52.35 1x0o s ASN 5 Cb -0.15 0.42 0.14 0.00 -2.00 0.00 0.00 41.25 39.67 1x0o s ASN 5 CO 0.16 -0.49 1.09 0.54 -2.94 0.00 0.00 177.10 175.46 1x0o s VAL 6 N -1.31 0.00 -0.44 3.54 0.11 -1.26 -5.03 120.40 116.00 1x0o s VAL 6 Ca -0.06 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 58.98 1x0o s VAL 6 Cb -0.00 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 1x0o s VAL 6 CO 0.05 0.00 0.40 0.00 -3.33 0.00 0.00 175.10 172.21 1x0o s GLN 8 N -3.33 1.57 1.04 0.00 -1.52 -1.26 -5.12 119.66 111.03 1x0o s GLN 8 Ca 0.11 -1.33 -0.13 0.00 -1.95 0.00 0.00 55.36 52.06 1x0o s GLN 8 Cb -0.01 -1.97 0.17 0.00 -0.22 0.00 0.00 33.01 30.98 1x0o s GLN 8 CO 0.37 0.45 0.79 -2.30 -0.25 0.00 0.00 175.29 174.35 1x0o n PRO 9 N 0.71 -1.24 -0.74 2.91 -0.02 -1.26 -4.74 135.00 130.62 1x0o n PRO 9 Ca -0.16 -0.32 0.08 0.00 -2.02 0.00 0.00 63.50 61.08 1x0o n PRO 9 Cb 0.54 -2.11 0.37 0.00 -0.02 0.00 0.00 33.50 32.27 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 -4.39 2.23 -4.28 3.45 -1.04 -1.26 -4.10 114.28 104.89 1x0o n THR 10 Ca 0.06 -1.23 -0.19 0.00 -2.04 0.00 0.00 64.05 60.65 1x0o n THR 10 Cb 0.54 -0.12 -0.15 0.00 -1.82 0.00 0.00 70.33 68.78 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 -2.30 0.78 0.10 -2.82 1.03 -1.26 -2.30 118.70 111.92 1x0o s GLU 11 Ca 0.50 -0.23 0.07 0.00 0.03 0.00 0.00 54.97 55.34 1x0o s GLU 11 Cb 0.36 -0.75 -0.03 0.00 -0.80 0.00 0.00 34.13 32.91 1x0o s GLU 11 CO 0.19 0.08 -0.17 -0.59 -1.33 0.00 0.00 175.26 173.43 1x0o s PHE 12 N 0.25 1.51 -0.27 4.83 -0.71 -0.76 -4.83 117.98 118.01 1x0o s PHE 12 Ca -0.03 -0.46 -0.12 0.00 -1.04 0.00 0.00 56.93 55.27 1x0o s PHE 12 Cb -0.08 -0.82 -0.05 0.00 -1.21 0.00 0.00 43.02 40.86 1x0o s PHE 12 CO 0.00 0.15 0.25 0.42 -1.34 0.00 0.00 175.22 174.71 1x0o s ILE 13 N -1.47 5.27 -0.15 -4.49 1.01 -1.26 -0.47 121.20 119.64 1x0o s ILE 13 Ca 0.05 0.32 0.01 0.00 0.00 0.00 0.00 60.65 61.03 1x0o s ILE 13 Cb -0.09 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.80 1x0o s ILE 13 CO 0.03 0.23 -0.18 -0.94 0.00 0.00 0.00 174.94 174.08 1x0o s SER 14 N 1.61 3.41 -0.22 3.58 1.04 0.48 -2.57 113.70 121.03 1x0o s SER 14 Ca 0.10 -0.53 -0.07 0.00 0.48 0.00 0.00 55.95 55.93 1x0o s SER 14 Cb -0.16 -1.51 -0.03 0.00 0.10 0.00 0.00 66.02 64.42 1x0o s SER 14 CO 0.10 0.08 0.05 -0.13 0.98 0.00 0.00 173.24 174.32 1x0o s ARG 15 N 0.84 3.74 0.06 4.02 0.52 0.59 -0.15 118.95 128.58 1x0o s ARG 15 Ca -0.06 -0.45 -0.07 0.00 -0.52 0.00 0.00 55.73 54.64 1x0o s ARG 15 Cb -0.15 -3.23 -0.01 0.00 0.52 0.00 0.00 34.95 32.08 1x0o s ARG 15 CO -0.01 0.00 0.14 -3.38 0.02 0.00 0.00 175.30 172.06 1x0o s HIS 16 N 1.09 0.21 0.50 -0.53 -3.43 -0.15 -0.90 115.29 112.08 1x0o s HIS 16 Ca 0.04 -0.60 -0.23 0.00 -0.80 0.00 0.00 55.06 53.47 1x0o s HIS 16 Cb -0.14 -0.12 -0.07 0.00 -1.43 0.00 0.00 32.58 30.82 1x0o s HIS 16 CO 0.03 -0.46 1.36 -1.71 -2.00 0.00 0.00 174.74 171.95 1x0o n ASN 17 N 0.24 2.80 0.16 7.38 2.85 0.10 -0.92 115.26 127.86 1x0o n ASN 17 Ca -0.16 1.03 0.19 0.00 -0.11 0.00 0.00 54.58 55.53 1x0o n ASN 17 Cb 0.61 -1.57 0.77 0.00 1.24 0.00 0.00 39.78 40.83 1x0o n ASN 17 CO 0.00 0.00 0.00 0.16 -2.11 0.00 0.00 177.26 175.31 1x0o h ILE 18 N 1.75 0.29 0.00 -1.44 3.07 -1.91 0.76 117.51 120.03 1x0o h ILE 18 Ca -0.50 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.91 1x0o h ILE 18 Cb 1.29 0.66 0.00 0.00 -0.27 0.00 0.00 36.82 38.51 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 -3.53 0.12 0.00 0.16 1.02 -1.26 -4.86 120.64 112.29 1x0o n GLU 19 Ca 0.05 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 1x0o n GLU 19 Cb 0.55 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 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 1.13 1.07 3.60 0.62 0.00 0.26 -4.85 105.19 107.02 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 4.37 -0.05 -0.61 -1.09 -0.97 -1.53 121.20 119.33 1x0o s ILE 21 Ca 0.00 1.14 -0.30 0.00 -2.23 0.00 0.00 60.65 59.26 1x0o s ILE 21 Cb 0.00 -4.49 -0.07 0.00 -1.58 0.00 0.00 42.46 36.32 1x0o s ILE 21 CO 0.00 -0.83 1.82 -0.36 -1.23 0.00 0.00 174.94 174.34 1x0o s PHE 22 N 4.02 1.64 -0.11 3.97 0.08 -0.09 0.02 117.98 127.50 1x0o s PHE 22 Ca 0.43 -0.01 0.10 0.00 0.12 0.00 0.00 56.93 57.57 1x0o s PHE 22 Cb -0.09 -4.06 -0.14 0.00 -0.57 0.00 0.00 43.02 38.16 1x0o s PHE 22 CO 0.26 -4.48 0.04 0.25 -0.10 0.00 0.00 175.22 171.19 1x0o n THR 23 N 5.80 0.79 -3.72 0.64 -2.24 -1.02 -1.25 114.28 113.28 1x0o n THR 23 Ca 0.20 -0.49 -0.19 0.00 -2.27 0.00 0.00 64.05 61.30 1x0o n THR 23 Cb 0.43 -0.70 -0.17 0.00 -2.10 0.00 0.00 70.33 67.78 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 -2.28 0.15 -0.03 4.78 5.36 -0.08 -4.97 117.98 120.91 1x0o s PHE 24 Ca -0.06 0.17 0.04 0.00 -0.96 0.00 0.00 56.93 56.11 1x0o s PHE 24 Cb 0.03 -0.47 -0.00 0.00 -0.34 0.00 0.00 43.02 42.25 1x0o s PHE 24 CO 0.47 -0.18 -0.13 0.08 -1.46 0.00 0.00 175.22 174.00 1x0o s VAL 25 N 1.85 1.09 0.34 3.12 1.01 -1.26 -0.30 120.40 126.25 1x0o s VAL 25 Ca 0.01 -0.54 -0.17 0.00 0.00 0.00 0.00 61.98 61.28 1x0o s VAL 25 Cb -0.12 -0.94 -0.09 0.00 0.00 0.00 0.00 36.38 35.22 1x0o s VAL 25 CO -0.03 0.32 0.78 -0.62 0.00 0.00 0.00 175.10 175.55 1x0o s ASP 26 N 0.03 6.84 0.65 3.32 2.15 -1.06 -4.76 116.67 123.84 1x0o s ASP 26 Ca -0.02 1.38 0.33 0.00 0.43 0.00 0.00 52.55 54.67 1x0o s ASP 26 Cb -0.09 -2.41 1.77 0.00 -0.30 0.00 0.00 42.92 41.89 1x0o s ASP 26 CO 0.01 -0.22 2.02 0.45 -0.17 0.00 0.00 175.17 177.26 1x0o h HIS 27 N 2.28 0.00 0.00 -5.34 3.86 -1.94 -1.04 115.15 112.97 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 -3.07 0.03 0.06 2.45 1.74 -1.26 -2.13 116.66 114.48 1x0o n ARG 28 Ca -0.01 0.35 0.02 0.00 -0.77 0.00 0.00 57.85 57.44 1x0o n ARG 28 Cb 0.34 -1.50 0.38 0.00 -1.02 0.00 0.00 32.46 30.65 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 0.37 1.23 0.00 0.00 -1.51 -0.82 0.29 116.25 115.81 1x0o h VAL 30 Ca 0.08 -1.09 -0.01 0.00 -1.23 0.00 0.00 66.70 64.46 1x0o h VAL 30 Cb 0.26 1.41 -0.00 0.00 -2.13 0.00 0.00 31.29 30.83 1x0o h VAL 30 CO 0.01 0.33 -0.03 0.00 -1.23 0.00 0.00 177.57 176.65 1x0o h ALA 31 N 1.54 0.01 0.15 5.19 0.00 -1.72 -1.01 119.26 123.42 1x0o h ALA 31 Ca 0.03 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.58 1x0o h ALA 31 Cb 0.56 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1x0o h ALA 31 CO 0.04 0.02 -0.30 1.15 0.00 0.00 0.00 179.25 180.15 1x0o h THR 32 N -1.00 0.35 0.00 0.00 2.02 -1.38 -3.36 112.91 109.54 1x0o h THR 32 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1x0o h THR 32 Cb 0.73 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1x0o h THR 32 CO -0.00 0.00 -0.03 1.33 0.37 0.00 0.00 175.52 177.19 1x0o n VAL 33 N -5.41 0.69 0.00 3.16 0.24 0.97 -4.93 118.33 113.05 1x0o n VAL 33 Ca -0.07 -0.72 0.00 0.00 -2.04 0.00 0.00 64.34 61.51 1x0o n VAL 33 Cb 0.32 0.60 0.00 0.00 -1.47 0.00 0.00 33.84 33.29 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 -0.39 1.95 3.76 7.63 0.00 -0.38 -0.11 105.19 117.65 1x0o n GLY 34 Ca 0.01 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 -0.08 3.28 0.43 1.61 2.02 -1.24 -4.59 117.35 118.78 1x0o s TYR 35 Ca 0.00 1.49 -0.14 0.00 -0.37 0.00 0.00 57.07 58.05 1x0o s TYR 35 Cb 0.00 -3.52 -0.08 0.00 -0.40 0.00 0.00 41.96 37.97 1x0o s TYR 35 CO 0.00 -1.36 0.85 -0.65 -1.57 0.00 0.00 175.55 172.82 1x0o s GLN 36 N -1.39 3.91 0.22 -0.62 -1.52 -1.26 -1.85 119.66 117.16 1x0o s GLN 36 Ca 0.48 0.72 -0.13 0.00 -1.95 0.00 0.00 55.36 54.48 1x0o s GLN 36 Cb -0.36 -2.30 0.27 0.00 -0.22 0.00 0.00 33.01 30.40 1x0o s GLN 36 CO 0.46 -0.08 1.61 -1.35 -0.25 0.00 0.00 175.29 175.68 1x0o h PRO 37 N 1.37 -0.02 -0.92 2.91 0.11 -1.85 0.77 132.00 134.36 1x0o h PRO 37 Ca -0.47 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.65 1x0o h PRO 37 Cb 1.18 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 1x0o h PRO 37 CO 0.63 -0.01 0.61 1.96 -0.21 0.00 0.00 178.00 180.98 1x0o h GLN 38 N -0.02 1.22 -0.04 1.05 1.08 -1.91 -1.26 115.11 115.23 1x0o h GLN 38 Ca 0.33 -0.08 -0.02 0.00 -1.45 0.00 0.00 58.65 57.43 1x0o h GLN 38 Cb 0.53 -0.27 -0.00 0.00 -0.05 0.00 0.00 27.48 27.68 1x0o h GLN 38 CO -0.73 0.81 -0.07 0.93 -0.95 0.00 0.00 178.83 178.81 1x0o h GLU 39 N 1.25 0.06 0.00 1.46 4.39 -1.22 -1.59 114.58 118.93 1x0o h GLU 39 Ca 0.34 -0.01 -0.18 0.00 0.34 0.00 0.00 59.36 59.85 1x0o h GLU 39 Cb -0.14 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.47 1x0o h GLU 39 CO -0.07 0.14 -1.34 1.25 -1.16 0.00 0.00 179.01 177.83 1x0o h LEU 40 N 0.06 0.00 -9.14 1.33 5.85 -1.02 -3.44 115.31 108.95 1x0o h LEU 40 Ca 0.01 0.00 -0.56 0.00 0.84 0.00 0.00 57.88 58.17 1x0o h LEU 40 Cb 0.17 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 1x0o h LEU 40 CO 0.01 0.65 1.25 -0.76 -0.34 0.00 0.00 178.44 179.25 1x0o s LEU 41 N -5.94 3.98 0.00 2.25 1.43 -0.54 -1.60 118.68 118.26 1x0o s LEU 41 Ca -0.02 2.07 0.00 0.00 -1.03 0.00 0.00 54.13 55.14 1x0o s LEU 41 Cb 0.08 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.78 1x0o s LEU 41 CO 0.81 -1.36 0.00 0.61 0.23 0.00 0.00 176.35 176.64 1x0o n GLY 42 N 4.88 1.35 3.95 -3.19 0.00 -0.38 -4.97 105.19 106.82 1x0o n GLY 42 Ca 0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.43 3.45 0.06 1.61 -0.14 -0.63 -4.85 119.74 118.81 1x0o s LYS 43 Ca 0.00 -0.59 -0.17 0.00 -1.36 0.00 0.00 55.97 53.85 1x0o s LYS 43 Cb 0.00 -2.95 -0.06 0.00 -1.68 0.00 0.00 37.83 33.14 1x0o s LYS 43 CO 0.00 0.50 0.52 1.21 -0.76 0.00 0.00 175.35 176.82 1x0o s ASN 44 N -3.29 6.95 0.59 2.83 3.84 -1.26 -0.91 114.94 123.70 1x0o s ASN 44 Ca 0.35 1.15 0.30 0.00 0.21 0.00 0.00 52.86 54.86 1x0o s ASN 44 Cb -0.11 -2.32 1.81 0.00 -0.55 0.00 0.00 41.25 40.09 1x0o s ASN 44 CO 0.29 0.27 2.23 -0.29 -2.79 0.00 0.00 177.10 176.81 1x0o h ILE 45 N 3.48 0.50 0.00 -5.21 2.10 -1.61 -0.72 117.51 116.06 1x0o h ILE 45 Ca -0.50 0.00 -0.11 0.00 1.08 0.00 0.00 64.86 65.33 1x0o h ILE 45 Cb 1.21 0.97 -0.02 0.00 -1.09 0.00 0.00 36.82 37.90 1x0o h ILE 45 CO 0.63 0.00 -0.50 0.58 -1.08 0.00 0.00 178.15 177.78 1x0o h VAL 46 N 0.00 1.13 -0.90 2.19 2.07 -1.90 -2.37 116.25 116.47 1x0o h VAL 46 Ca 0.01 -1.89 -0.02 0.00 0.82 0.00 0.00 66.70 65.63 1x0o h VAL 46 Cb 0.09 2.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 1x0o h VAL 46 CO -0.00 0.49 0.50 -0.33 0.02 0.00 0.00 177.57 178.26 1x0o h GLU 47 N 0.00 1.25 -0.56 1.57 5.08 -1.52 -1.49 114.58 118.91 1x0o h GLU 47 Ca -0.01 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1x0o h GLU 47 Cb 1.05 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1x0o h GLU 47 CO 0.07 0.91 0.00 1.19 -1.00 0.00 0.00 179.01 180.17 1x0o n PHE 48 N -4.33 1.59 -3.27 4.33 3.72 -1.18 -4.89 117.46 113.42 1x0o n PHE 48 Ca 0.10 -0.68 -0.38 0.00 -0.05 0.00 0.00 57.45 56.43 1x0o n PHE 48 Cb 0.09 -0.34 -0.06 0.00 -0.94 0.00 0.00 39.48 38.23 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 1.04 -0.13 0.00 -0.00 -1.02 -4.68 115.22 113.56 1x0o n HIS 50 Ca -0.07 0.75 -0.06 0.00 0.46 0.00 0.00 57.72 58.80 1x0o n HIS 50 Cb 0.51 -2.22 0.00 0.00 -0.12 0.00 0.00 29.99 28.16 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 3.09 -0.17 0.00 1.57 0.11 -1.94 0.51 132.00 135.16 1x0o h PRO 51 Ca -0.43 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1x0o h PRO 51 Cb 1.36 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.51 1x0o h PRO 51 CO 0.68 -0.12 0.00 -0.85 -0.21 0.00 0.00 178.00 177.50 1x0o n GLU 52 N -5.41 0.21 0.00 1.05 0.28 -1.26 -2.93 120.64 112.57 1x0o n GLU 52 Ca 0.02 0.15 0.05 0.00 -0.16 0.00 0.00 57.16 57.22 1x0o n GLU 52 Cb 0.32 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.67 1x0o n GLU 52 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1x0o n ASP 53 N -1.30 0.92 -0.02 -1.84 2.03 0.17 -4.42 116.55 112.09 1x0o n ASP 53 Ca 0.07 -0.96 -0.10 0.00 0.52 0.00 0.00 54.79 54.32 1x0o n ASP 53 Cb 0.13 0.70 0.05 0.00 -0.72 0.00 0.00 41.12 41.27 1x0o n ASP 53 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1x0o h GLN 54 N 0.67 0.64 -0.56 -0.67 4.20 -1.16 -2.06 115.11 116.17 1x0o h GLN 54 Ca 0.00 -0.38 -0.04 0.00 0.06 0.00 0.00 58.65 58.29 1x0o h GLN 54 Cb 0.31 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 1x0o h GLN 54 CO 0.00 0.99 0.17 0.37 -0.67 0.00 0.00 178.83 179.69 1x0o h GLN 55 N 0.50 0.84 0.30 1.46 -0.00 -1.79 0.21 115.11 116.64 1x0o h GLN 55 Ca 0.02 -0.16 -0.01 0.00 -0.00 0.00 0.00 58.65 58.50 1x0o h GLN 55 Cb 1.05 -0.13 0.00 0.00 0.00 0.00 0.00 27.48 28.40 1x0o h GLN 55 CO 0.10 0.74 -0.14 1.25 0.00 0.00 0.00 178.83 180.77 1x0o h LEU 56 N 0.82 -0.34 -0.57 -2.39 6.46 -1.68 -0.34 115.31 117.27 1x0o h LEU 56 Ca 0.19 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.97 1x0o h LEU 56 Cb 0.25 0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.24 1x0o h LEU 56 CO -0.01 -0.24 0.36 -0.07 -0.62 0.00 0.00 178.44 177.86 1x0o h LEU 57 N -0.41 0.59 0.11 2.25 3.38 -1.17 -1.75 115.31 118.32 1x0o h LEU 57 Ca -0.04 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1x0o h LEU 57 Cb 0.31 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1x0o h LEU 57 CO 0.07 0.42 -0.38 -0.09 0.09 0.00 0.00 178.44 178.55 1x0o h ARG 58 N 0.71 -0.59 -0.49 1.13 2.43 -0.13 0.26 114.38 117.70 1x0o h ARG 58 Ca 0.22 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.41 1x0o h ARG 58 Cb -0.02 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1x0o h ARG 58 CO -0.08 -0.39 0.24 0.22 -1.51 0.00 0.00 179.97 178.45 1x0o h ASP 59 N -0.61 0.64 -0.02 -3.80 3.58 -1.00 -1.45 116.42 113.75 1x0o h ASP 59 Ca 0.03 -0.13 -0.07 0.00 0.42 0.00 0.00 57.03 57.28 1x0o h ASP 59 Cb 0.64 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.51 1x0o h ASP 59 CO -0.23 0.59 -0.18 0.28 -2.88 0.00 0.00 179.24 176.82 1x0o h SER 60 N 0.65 0.36 -0.34 2.28 0.02 -0.92 0.18 113.55 115.78 1x0o h SER 60 Ca 0.17 -0.10 -0.15 0.00 -0.84 0.00 0.00 61.79 60.87 1x0o h SER 60 Cb 0.12 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1x0o h SER 60 CO -0.02 0.57 -0.34 -0.26 -1.14 0.00 0.00 176.83 175.63 1x0o h PHE 61 N 0.34 1.04 -0.80 3.45 0.04 -0.20 -2.60 116.94 118.22 1x0o h PHE 61 Ca 0.06 -0.29 -0.04 0.00 2.80 0.00 0.00 57.97 60.50 1x0o h PHE 61 Cb 0.52 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 38.41 1x0o h PHE 61 CO 0.01 1.10 0.36 1.96 -0.60 0.00 0.00 178.31 181.14 1x0o h GLN 62 N 0.73 1.17 -0.13 1.51 1.08 -0.16 -1.82 115.11 117.51 1x0o h GLN 62 Ca 0.07 -0.19 0.03 0.00 -1.45 0.00 0.00 58.65 57.11 1x0o h GLN 62 Cb 0.92 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 28.12 1x0o h GLN 62 CO 0.08 0.92 -0.04 1.96 -0.95 0.00 0.00 178.83 180.81 1x0o h GLN 63 N 1.15 -0.01 0.00 1.46 1.08 -0.49 -0.09 115.11 118.22 1x0o h GLN 63 Ca 0.27 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.44 1x0o h GLN 63 Cb 0.16 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 1x0o h GLN 63 CO -0.03 -0.01 -0.17 -0.24 -0.95 0.00 0.00 178.83 177.43 1x0o h VAL 64 N -0.01 0.39 -0.14 -0.54 3.04 -1.27 0.16 116.25 117.89 1x0o h VAL 64 Ca 0.06 -1.04 -0.15 0.00 -1.01 0.00 0.00 66.70 64.56 1x0o h VAL 64 Cb 0.10 1.77 -0.01 0.00 -2.01 0.00 0.00 31.29 31.15 1x0o h VAL 64 CO -0.13 0.17 -0.55 0.58 -1.01 0.00 0.00 177.57 176.62 1x0o h VAL 65 N 0.00 1.34 -0.16 1.51 2.07 -0.74 0.03 116.25 120.30 1x0o h VAL 65 Ca -0.00 -1.82 -0.18 0.00 0.82 0.00 0.00 66.70 65.51 1x0o h VAL 65 Cb 0.76 1.84 -0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1x0o h VAL 65 CO 0.02 0.55 -0.64 0.11 0.02 0.00 0.00 177.57 177.64 1x0o h LYS 66 N 0.31 0.57 0.82 1.57 1.57 -0.14 -3.31 116.57 117.96 1x0o h LYS 66 Ca 0.01 -0.40 -0.04 0.00 -1.87 0.00 0.00 60.65 58.34 1x0o h LYS 66 Cb 1.06 0.07 0.01 0.00 0.08 0.00 0.00 32.23 33.44 1x0o h LYS 66 CO 0.09 1.02 -0.40 -0.07 -0.57 0.00 0.00 179.45 179.53 1x0o h LEU 67 N 0.42 -0.94 -2.36 2.94 3.38 -0.47 -3.49 115.31 114.78 1x0o h LEU 67 Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1x0o h LEU 67 Cb 1.21 0.24 -0.04 0.00 0.09 0.00 0.00 40.66 42.17 1x0o h LEU 67 CO 0.12 -0.63 -1.09 0.29 0.09 0.00 0.00 178.44 177.22 1x0o n LYS 68 N -5.54 -3.19 0.00 1.13 5.02 -0.02 -4.52 118.16 111.03 1x0o n LYS 68 Ca -0.15 2.58 0.00 0.00 -2.02 0.00 0.00 58.31 58.72 1x0o n LYS 68 Cb 0.44 -4.33 0.00 0.00 -0.02 0.00 0.00 35.03 31.12 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 1.21 1.57 3.72 0.72 0.00 -1.24 -5.00 105.19 106.16 1x0o n GLY 69 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.55 3.34 -0.06 1.61 -1.52 -1.26 -4.94 119.66 116.29 1x0o s GLN 70 Ca 0.00 -0.33 -0.30 0.00 -1.95 0.00 0.00 55.36 52.79 1x0o s GLN 70 Cb 0.00 -2.99 -0.03 0.00 -0.22 0.00 0.00 33.01 29.77 1x0o s GLN 70 CO 0.00 0.61 1.09 0.08 -0.25 0.00 0.00 175.29 176.82 1x0o s VAL 71 N -0.61 4.53 -0.05 1.09 1.01 -1.26 -4.55 120.40 120.58 1x0o s VAL 71 Ca 0.11 1.83 0.05 0.00 0.00 0.00 0.00 61.98 63.97 1x0o s VAL 71 Cb -0.12 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 1x0o s VAL 71 CO 0.02 0.04 -0.21 -0.22 0.00 0.00 0.00 175.10 174.73 1x0o s LEU 72 N 1.84 2.32 -0.27 3.92 2.96 -0.46 -4.89 118.68 124.10 1x0o s LEU 72 Ca 0.53 -0.39 -0.11 0.00 -0.22 0.00 0.00 54.13 53.93 1x0o s LEU 72 Cb -0.22 -1.44 -0.05 0.00 0.50 0.00 0.00 46.19 44.98 1x0o s LEU 72 CO 0.22 0.29 0.19 -0.94 -1.32 0.00 0.00 176.35 174.79 1x0o s SER 73 N -0.41 6.06 -0.07 3.68 1.04 -1.26 0.05 113.70 122.80 1x0o s SER 73 Ca 0.04 0.04 0.03 0.00 0.48 0.00 0.00 55.95 56.55 1x0o s SER 73 Cb -0.12 -2.12 0.00 0.00 0.10 0.00 0.00 66.02 63.88 1x0o s SER 73 CO 0.02 -0.02 -0.17 0.54 0.98 0.00 0.00 173.24 174.59 1x0o s VAL 74 N 1.56 1.46 -0.21 5.02 0.11 0.01 -4.96 120.40 123.39 1x0o s VAL 74 Ca 0.08 -0.69 -0.04 0.00 -2.93 0.00 0.00 61.98 58.40 1x0o s VAL 74 Cb -0.15 -1.28 -0.01 0.00 -1.53 0.00 0.00 36.38 33.40 1x0o s VAL 74 CO 0.09 0.42 -0.05 -0.32 -3.33 0.00 0.00 175.10 171.92 1x0o s MET 75 N 0.37 3.41 0.36 1.54 1.75 -1.26 -0.08 119.30 125.40 1x0o s MET 75 Ca -0.12 -0.61 -0.06 0.00 -1.25 0.00 0.00 55.69 53.64 1x0o s MET 75 Cb -0.15 -2.98 0.02 0.00 2.84 0.00 0.00 34.83 34.56 1x0o s MET 75 CO 0.04 -0.12 0.58 -0.59 -0.65 0.00 0.00 175.02 174.28 1x0o s PHE 76 N 1.29 0.78 -0.27 4.11 -0.71 -0.05 -4.97 117.98 118.14 1x0o s PHE 76 Ca 0.03 -1.15 -0.05 0.00 -1.04 0.00 0.00 56.93 54.73 1x0o s PHE 76 Cb -0.14 0.21 0.02 0.00 -1.21 0.00 0.00 43.02 41.89 1x0o s PHE 76 CO -0.02 -1.28 0.02 1.03 -1.34 0.00 0.00 175.22 173.63 1x0o s ARG 77 N -2.80 2.97 -0.09 1.99 0.52 -1.26 -0.33 118.95 119.95 1x0o s ARG 77 Ca 0.26 -0.91 -0.11 0.00 -0.52 0.00 0.00 55.73 54.44 1x0o s ARG 77 Cb -0.02 -3.20 -0.05 0.00 0.52 0.00 0.00 34.95 32.20 1x0o s ARG 77 CO 0.18 -0.43 0.27 0.12 0.02 0.00 0.00 175.30 175.46 1x0o s PHE 78 N 1.42 3.60 -0.61 -0.53 2.19 0.58 -2.43 117.98 122.21 1x0o s PHE 78 Ca 0.01 0.70 -0.26 0.00 0.33 0.00 0.00 56.93 57.71 1x0o s PHE 78 Cb -0.17 -2.16 0.04 0.00 -1.31 0.00 0.00 43.02 39.41 1x0o s PHE 78 CO -0.01 0.57 1.11 0.50 1.83 0.00 0.00 175.22 179.23 1x0o s ARG 79 N -0.64 3.36 1.25 10.12 3.52 -0.14 -1.04 118.95 135.38 1x0o s ARG 79 Ca 0.18 -0.09 -0.18 0.00 -0.13 0.00 0.00 55.73 55.52 1x0o s ARG 79 Cb -0.14 -4.07 0.30 0.00 -1.56 0.00 0.00 34.95 29.48 1x0o s ARG 79 CO 0.07 -1.72 1.02 0.45 -0.81 0.00 0.00 175.30 174.31 1x0o s SER 80 N 3.13 0.43 0.00 -2.12 0.15 0.10 -4.84 113.70 110.55 1x0o s SER 80 Ca 0.36 1.02 0.13 0.00 0.70 0.00 0.00 55.95 58.17 1x0o s SER 80 Cb -0.10 -1.53 0.68 0.00 -1.71 0.00 0.00 66.02 63.36 1x0o s SER 80 CO 0.20 -4.47 1.36 1.17 1.20 0.00 0.00 173.24 172.70 1x0o n LYS 81 N -5.05 0.18 -0.28 5.44 3.00 0.84 -1.03 118.16 121.26 1x0o n LYS 81 Ca 0.09 0.16 0.11 0.00 -0.00 0.00 0.00 58.31 58.67 1x0o n LYS 81 Cb 0.58 -1.50 0.28 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 -1.29 3.52 -1.74 3.14 3.02 -1.26 -4.91 115.26 115.74 1x0o n ASN 82 Ca 0.06 -1.99 -0.15 0.00 -0.03 0.00 0.00 54.58 52.47 1x0o n ASN 82 Cb 0.11 -0.37 -0.01 0.00 -0.61 0.00 0.00 39.78 38.90 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 1.46 -1.23 -4.24 3.52 3.00 -0.20 -5.01 117.38 114.68 1x0o n GLN 83 Ca 0.21 0.76 -0.26 0.00 -0.01 0.00 0.00 57.00 57.71 1x0o n GLN 83 Cb 0.58 -5.12 -0.08 0.00 0.00 0.00 0.00 30.24 25.62 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 -4.71 2.29 -0.35 -1.09 -1.05 -1.25 -4.91 118.70 107.63 1x0o s GLU 84 Ca 0.00 -1.20 -0.05 0.00 -0.15 0.00 0.00 54.97 53.57 1x0o s GLU 84 Cb 0.00 -2.27 0.06 0.00 -0.44 0.00 0.00 34.13 31.48 1x0o s GLU 84 CO 0.00 0.43 0.12 -1.58 0.95 0.00 0.00 175.26 175.19 1x0o s TRP 85 N -1.81 3.33 0.24 4.83 0.52 -1.26 0.03 118.94 124.82 1x0o s TRP 85 Ca 0.27 -1.73 0.08 0.00 0.02 0.00 0.00 56.10 54.74 1x0o s TRP 85 Cb -0.09 -2.51 -0.04 0.00 -1.15 0.00 0.00 33.47 29.68 1x0o s TRP 85 CO 0.18 -0.81 0.04 -0.48 0.02 0.00 0.00 176.95 175.89 1x0o s LEU 86 N 1.32 3.35 0.07 2.99 0.05 -0.21 -4.21 118.68 122.04 1x0o s LEU 86 Ca -0.00 -0.50 -0.29 0.00 0.05 0.00 0.00 54.13 53.40 1x0o s LEU 86 Cb -0.21 -1.91 -0.05 0.00 -2.05 0.00 0.00 46.19 41.97 1x0o s LEU 86 CO 0.00 0.02 0.91 0.26 -0.55 0.00 0.00 176.35 177.00 1x0o s TRP 87 N -2.12 3.76 -0.02 3.48 0.52 -1.09 -0.30 118.94 123.17 1x0o s TRP 87 Ca 0.31 1.69 -0.04 0.00 0.02 0.00 0.00 56.10 58.08 1x0o s TRP 87 Cb -0.07 -3.01 0.00 0.00 -1.15 0.00 0.00 33.47 29.24 1x0o s TRP 87 CO 0.21 0.18 0.09 0.00 0.02 0.00 0.00 176.95 177.44 1x0o s MET 88 N 0.19 0.21 -0.35 4.98 0.23 0.55 -1.99 119.30 123.13 1x0o s MET 88 Ca 0.46 -0.08 -0.09 0.00 -1.03 0.00 0.00 55.69 54.95 1x0o s MET 88 Cb -0.22 0.09 0.03 0.00 -1.53 0.00 0.00 34.83 33.20 1x0o s MET 88 CO 0.28 -0.04 0.15 0.50 -2.03 0.00 0.00 175.02 173.88 1x0o s ARG 89 N -0.45 2.83 -0.14 3.16 3.52 0.37 -0.88 118.95 127.36 1x0o s ARG 89 Ca -0.05 -1.06 -0.08 0.00 -0.13 0.00 0.00 55.73 54.41 1x0o s ARG 89 Cb -0.03 -3.57 -0.04 0.00 -1.56 0.00 0.00 34.95 29.74 1x0o s ARG 89 CO 0.00 -0.63 0.16 0.99 -0.81 0.00 0.00 175.30 175.01 1x0o s THR 90 N 1.50 5.45 -0.27 4.11 2.01 0.89 -2.22 115.64 127.11 1x0o s THR 90 Ca 0.01 0.25 -0.14 0.00 0.31 0.00 0.00 61.69 62.11 1x0o s THR 90 Cb -0.19 -3.44 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 1x0o s THR 90 CO 0.05 0.56 0.33 -0.44 -0.69 0.00 0.00 174.62 174.43 1x0o s SER 91 N -0.60 6.21 0.20 3.53 0.01 0.38 -0.81 113.70 122.62 1x0o s SER 91 Ca 0.14 0.23 0.01 0.00 1.31 0.00 0.00 55.95 57.64 1x0o s SER 91 Cb -0.12 -2.19 -0.04 0.00 0.21 0.00 0.00 66.02 63.88 1x0o s SER 91 CO 0.03 -0.15 0.36 -0.55 0.41 0.00 0.00 173.24 173.34 1x0o s SER 92 N 1.64 6.36 -0.20 2.44 0.15 0.11 -0.33 113.70 123.87 1x0o s SER 92 Ca 0.13 0.29 -0.14 0.00 0.70 0.00 0.00 55.95 56.93 1x0o s SER 92 Cb -0.16 -1.96 0.06 0.00 -1.71 0.00 0.00 66.02 62.25 1x0o s SER 92 CO 0.10 -0.03 0.50 0.12 1.20 0.00 0.00 173.24 175.13 1x0o s PHE 93 N -1.87 -0.66 -0.43 3.44 5.36 -0.36 -1.36 117.98 122.10 1x0o s PHE 93 Ca 0.37 1.47 -0.13 0.00 -0.96 0.00 0.00 56.93 57.68 1x0o s PHE 93 Cb -0.11 0.29 0.06 0.00 -0.34 0.00 0.00 43.02 42.93 1x0o s PHE 93 CO 0.29 -0.34 0.31 0.95 -1.46 0.00 0.00 175.22 174.97 1x0o s THR 94 N 0.92 4.78 -0.38 0.12 -4.23 -1.26 0.17 115.64 115.76 1x0o s THR 94 Ca -0.05 -1.10 -0.28 0.00 -1.18 0.00 0.00 61.69 59.08 1x0o s THR 94 Cb -0.06 -3.82 -0.01 0.00 1.34 0.00 0.00 72.50 69.95 1x0o s THR 94 CO -0.08 -0.47 1.68 0.12 -0.54 0.00 0.00 174.62 175.33 1x0o s PHE 95 N 1.56 1.99 -0.15 3.99 2.19 -0.40 -3.67 117.98 123.49 1x0o s PHE 95 Ca 0.03 0.64 -0.18 0.00 0.33 0.00 0.00 56.93 57.75 1x0o s PHE 95 Cb -0.22 -4.19 -0.04 0.00 -1.31 0.00 0.00 43.02 37.26 1x0o s PHE 95 CO 0.05 -2.60 0.49 -0.65 1.83 0.00 0.00 175.22 174.34 1x0o s GLN 96 N 5.51 4.28 -0.08 10.12 -0.21 -1.25 -0.43 119.66 137.60 1x0o s GLN 96 Ca 0.73 0.43 -0.29 0.00 0.02 0.00 0.00 55.36 56.24 1x0o s GLN 96 Cb -0.19 -3.49 -0.06 0.00 1.00 0.00 0.00 33.01 30.27 1x0o s GLN 96 CO 0.32 0.04 1.85 1.21 -2.12 0.00 0.00 175.29 176.59 1x0o s ASN 97 N 0.83 6.34 0.29 5.90 3.84 0.53 -4.86 114.94 127.81 1x0o s ASN 97 Ca 0.25 2.22 0.18 0.00 0.21 0.00 0.00 52.86 55.72 1x0o s ASN 97 Cb -0.15 -2.53 0.99 0.00 -0.55 0.00 0.00 41.25 39.01 1x0o s ASN 97 CO 0.10 -1.20 1.54 -0.81 -2.79 0.00 0.00 177.10 173.94 1x0o n PRO 98 N 7.64 0.12 -0.02 0.43 -0.04 -1.26 0.35 135.00 142.22 1x0o n PRO 98 Ca 0.20 0.61 0.01 0.00 -0.04 0.00 0.00 63.50 64.29 1x0o n PRO 98 Cb 0.43 -1.93 0.02 0.00 -0.04 0.00 0.00 33.50 31.98 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 -2.14 0.05 -0.05 0.54 4.01 -1.26 -4.74 117.16 113.57 1x0o n TYR 99 Ca -0.01 -0.25 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 1x0o n TYR 99 Cb 0.07 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 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 -0.07 0.00 0.00 7.72 7.64 -0.21 -5.02 113.62 123.68 1x0o n SER 100 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1x0o n SER 100 Cb 0.17 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 1x0o n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1x0o n ASP 101 N 0.00 0.00 -4.72 6.43 2.03 0.16 -4.91 116.55 115.54 1x0o n ASP 101 Ca 0.00 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.99 1x0o n ASP 101 Cb 0.00 -0.42 0.12 0.00 -0.72 0.00 0.00 41.12 40.10 1x0o n ASP 101 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1x0o s GLU 102 N 0.00 1.78 -0.39 -0.67 -1.05 -1.26 -4.47 118.70 112.64 1x0o s GLU 102 Ca 0.00 1.55 -0.19 0.00 -0.15 0.00 0.00 54.97 56.18 1x0o s GLU 102 Cb 0.00 -1.81 0.01 0.00 -0.44 0.00 0.00 34.13 31.89 1x0o s GLU 102 CO 0.00 -2.07 0.55 0.42 0.95 0.00 0.00 175.26 175.11 1x0o s ILE 103 N -2.42 4.96 0.08 1.83 -1.09 -1.26 -0.35 121.20 122.95 1x0o s ILE 103 Ca 0.69 0.13 -0.20 0.00 -2.23 0.00 0.00 60.65 59.04 1x0o s ILE 103 Cb -0.24 -4.07 -0.10 0.00 -1.58 0.00 0.00 42.46 36.47 1x0o s ILE 103 CO 0.52 -0.39 1.58 -0.33 -1.23 0.00 0.00 174.94 175.08 1x0o h GLU 104 N 8.66 0.29 -1.89 2.79 5.08 -1.11 -3.49 114.58 124.91 1x0o h GLU 104 Ca -0.27 -0.07 0.34 0.00 -1.00 0.00 0.00 59.36 58.37 1x0o h GLU 104 Cb 1.11 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.24 1x0o h GLU 104 CO 0.82 0.42 0.88 1.52 -1.00 0.00 0.00 179.01 181.65 1x0o s TYR 105 N -5.33 0.01 -0.03 4.33 -0.85 -1.26 -4.92 117.35 109.31 1x0o s TYR 105 Ca -0.14 -0.12 -0.09 0.00 -0.52 0.00 0.00 57.07 56.21 1x0o s TYR 105 Cb 0.07 0.56 -0.05 0.00 0.38 0.00 0.00 41.96 42.92 1x0o s TYR 105 CO 0.71 -0.27 0.27 0.42 -1.52 0.00 0.00 175.55 175.16 1x0o s ILE 106 N -2.13 5.29 -0.29 -3.49 1.01 -0.10 -1.28 121.20 120.22 1x0o s ILE 106 Ca 0.24 0.35 -0.02 0.00 0.00 0.00 0.00 60.65 61.22 1x0o s ILE 106 Cb 0.01 -3.55 0.04 0.00 0.01 0.00 0.00 42.46 38.97 1x0o s ILE 106 CO -0.02 0.49 -0.01 -0.63 0.00 0.00 0.00 174.94 174.77 1x0o s ILE 107 N -1.17 3.07 -0.26 2.92 1.01 0.13 -0.98 121.20 125.91 1x0o s ILE 107 Ca 0.23 -1.22 -0.05 0.00 0.00 0.00 0.00 60.65 59.61 1x0o s ILE 107 Cb -0.14 -2.69 0.00 0.00 0.01 0.00 0.00 42.46 39.65 1x0o s ILE 107 CO 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 174.94 175.05 1x0o s THR 109 N 1.46 4.89 -0.42 0.00 2.01 0.55 -0.39 115.64 123.74 1x0o s THR 109 Ca 0.03 -0.06 -0.18 0.00 0.31 0.00 0.00 61.69 61.79 1x0o s THR 109 Cb -0.16 -4.18 0.02 0.00 0.01 0.00 0.00 72.50 68.19 1x0o s THR 109 CO -0.01 -0.58 0.50 0.20 -0.69 0.00 0.00 174.62 174.04 1x0o s ASN 110 N 2.03 6.24 -0.22 3.53 -0.87 0.39 -0.47 114.94 125.56 1x0o s ASN 110 Ca 0.19 -0.56 -0.05 0.00 -1.57 0.00 0.00 52.86 50.87 1x0o s ASN 110 Cb -0.15 -2.25 -0.02 0.00 -0.02 0.00 0.00 41.25 38.81 1x0o s ASN 110 CO 0.17 -0.64 -0.00 -0.89 -2.57 0.00 0.00 177.10 173.17 1x0o s THR 111 N 2.35 3.78 -0.45 1.60 2.01 -0.94 -1.82 115.64 122.17 1x0o s THR 111 Ca 0.15 -0.36 -0.29 0.00 0.31 0.00 0.00 61.69 61.51 1x0o s THR 111 Cb -0.16 -2.73 0.02 0.00 0.01 0.00 0.00 72.50 69.64 1x0o s THR 111 CO 0.15 0.40 1.20 0.21 -0.69 0.00 0.00 174.62 175.90 1x0o s ASN 112 N 1.39 6.58 0.72 3.53 3.04 -0.97 -0.48 114.94 128.74 1x0o s ASN 112 Ca 0.05 0.60 -0.03 0.00 0.04 0.00 0.00 52.86 53.52 1x0o s ASN 112 Cb -0.15 -2.55 0.09 0.00 -1.54 0.00 0.00 41.25 37.11 1x0o s ASN 112 CO 0.00 -1.27 0.57 1.33 -3.04 0.00 0.00 177.10 174.69 1x0o n VAL 113 N 6.83 0.00 -1.54 -5.21 0.24 -0.84 -4.95 118.33 112.86 1x0o n VAL 113 Ca 0.13 -0.70 -0.30 0.00 -2.04 0.00 0.00 64.34 61.44 1x0o n VAL 113 Cb 0.49 -1.35 0.10 0.00 -1.47 0.00 0.00 33.84 31.61 1x0o n VAL 113 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1x0o s LYS 114 N -4.02 1.88 0.26 7.34 -2.85 -1.26 -4.67 119.74 116.42 1x0o s LYS 114 Ca 0.35 0.58 0.00 0.00 -1.00 0.00 0.00 55.97 55.90 1x0o s LYS 114 Cb -0.02 -1.90 0.00 0.00 -2.06 0.00 0.00 37.83 33.85 1x0o s LYS 114 CO 0.24 -1.75 0.00 0.09 0.10 0.00 0.00 175.35 174.03 1x0o n ASN 115 N -3.51 -4.89 0.00 0.03 4.13 -1.26 -4.45 115.26 105.31 1x0o n ASN 115 Ca 0.07 0.55 0.00 0.00 1.68 0.00 0.00 54.58 56.88 1x0o n ASN 115 Cb 0.57 -2.61 0.00 0.00 -1.54 0.00 0.00 39.78 36.19 1x0o n ASN 115 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1x0o n SER 116 N -3.42 0.00 -2.75 6.41 7.64 -1.26 -2.67 113.62 117.57 1x0o n SER 116 Ca -0.02 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.84 1x0o n SER 116 Cb 0.38 0.02 0.01 0.00 -1.01 0.00 0.00 64.21 63.61 1x0o n SER 116 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x0o n SER 117 N -1.60 -6.33 -0.05 6.43 7.64 -1.26 -4.27 113.62 114.17 1x0o n SER 117 Ca 0.00 -0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1x0o n SER 117 Cb 0.00 -4.33 0.30 0.00 -1.01 0.00 0.00 64.21 59.18 1x0o n SER 117 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1x0o h GLN 118 N 0.10 0.64 0.00 1.43 1.08 -1.98 -3.46 115.11 112.91 1x0o h GLN 118 Ca -0.10 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.00 1x0o h GLN 118 Cb 1.05 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.37 1x0o h GLN 118 CO 0.26 0.56 0.00 -1.91 -0.95 0.00 0.00 178.83 176.78