#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 -0.20 -2.81 4.61 0.00 -1.26 -5.15 120.51 115.70 1x0o n ALA 2 Ca 0.00 -0.99 -0.36 0.00 0.00 0.00 0.00 53.44 52.09 1x0o n ALA 2 Cb 0.00 0.80 -0.07 0.00 0.00 0.00 0.00 19.45 20.18 1x0o n ALA 2 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1x0o s MET 3 N -2.49 3.77 -0.15 0.00 1.00 -1.26 -5.03 119.30 115.14 1x0o s MET 3 Ca 0.18 -0.18 -0.29 0.00 0.00 0.00 0.00 55.69 55.40 1x0o s MET 3 Cb -0.01 -3.28 -0.05 0.00 0.00 0.00 0.00 34.83 31.49 1x0o s MET 3 CO 0.13 0.56 1.96 0.16 0.00 0.00 0.00 175.02 177.82 1x0o s ASP 4 N -0.39 6.01 -0.24 3.03 -4.77 -1.26 -4.93 116.67 114.13 1x0o s ASP 4 Ca 0.12 2.01 -0.26 0.00 -3.30 0.00 0.00 52.55 51.11 1x0o s ASP 4 Cb -0.12 -2.52 0.10 0.00 -1.09 0.00 0.00 42.92 39.29 1x0o s ASP 4 CO 0.01 -1.50 0.90 0.54 0.70 0.00 0.00 175.17 175.83 1x0o s ASN 5 N 5.97 -0.54 -0.28 2.11 2.20 -1.26 -5.06 114.94 118.09 1x0o s ASN 5 Ca 0.88 0.94 -0.27 0.00 -0.94 0.00 0.00 52.86 53.47 1x0o s ASN 5 Cb -0.33 0.92 0.17 0.00 -2.00 0.00 0.00 41.25 40.01 1x0o s ASN 5 CO 0.35 -0.26 1.31 0.54 -2.94 0.00 0.00 177.10 176.10 1x0o s VAL 6 N -0.08 0.00 -1.09 3.54 0.11 -1.26 -5.04 120.40 116.57 1x0o s VAL 6 Ca 0.00 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 58.97 1x0o s VAL 6 Cb -0.04 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.76 1x0o s VAL 6 CO -0.01 0.00 0.89 0.00 -3.33 0.00 0.00 175.10 172.65 1x0o s GLN 8 N -4.89 1.85 0.69 0.00 -0.21 -1.26 -5.12 119.66 110.73 1x0o s GLN 8 Ca 0.40 -1.76 -0.17 0.00 0.02 0.00 0.00 55.36 53.85 1x0o s GLN 8 Cb -0.08 -1.83 -0.07 0.00 1.00 0.00 0.00 33.01 32.04 1x0o s GLN 8 CO 0.77 0.26 0.30 -2.30 -2.12 0.00 0.00 175.29 172.20 1x0o n PRO 9 N -0.74 0.24 -0.40 2.91 -0.02 -1.26 -4.82 135.00 130.91 1x0o n PRO 9 Ca -0.05 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1x0o n PRO 9 Cb 0.61 -1.60 0.15 0.00 -0.02 0.00 0.00 33.50 32.63 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 -2.18 1.30 -4.25 3.45 -1.04 -1.26 -4.21 114.28 106.09 1x0o n THR 10 Ca 0.09 -0.62 -0.19 0.00 -2.04 0.00 0.00 64.05 61.29 1x0o n THR 10 Cb 0.50 -0.49 -0.16 0.00 -1.82 0.00 0.00 70.33 68.36 1x0o n THR 10 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1x0o s GLU 11 N -1.64 0.81 0.00 -2.82 2.12 -1.26 -3.05 118.70 112.87 1x0o s GLU 11 Ca 0.23 -0.19 0.03 0.00 0.36 0.00 0.00 54.97 55.39 1x0o s GLU 11 Cb 0.18 -0.78 -0.01 0.00 0.26 0.00 0.00 34.13 33.77 1x0o s GLU 11 CO 0.06 0.02 -0.08 -0.59 -0.54 0.00 0.00 175.26 174.13 1x0o s PHE 12 N 0.47 0.74 -0.18 5.30 -0.71 -0.70 -4.87 117.98 118.03 1x0o s PHE 12 Ca -0.06 -0.18 -0.09 0.00 -1.04 0.00 0.00 56.93 55.56 1x0o s PHE 12 Cb -0.10 -0.47 -0.05 0.00 -1.21 0.00 0.00 43.02 41.19 1x0o s PHE 12 CO 0.00 -0.01 0.13 0.42 -1.34 0.00 0.00 175.22 174.42 1x0o s ILE 13 N -0.33 5.42 0.04 -4.49 1.01 -1.26 -0.70 121.20 120.88 1x0o s ILE 13 Ca 0.02 0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.88 1x0o s ILE 13 Cb -0.04 -3.44 -0.02 0.00 0.01 0.00 0.00 42.46 38.97 1x0o s ILE 13 CO -0.00 0.49 -0.07 -0.94 0.00 0.00 0.00 174.94 174.42 1x0o s SER 14 N -0.01 0.75 -0.11 3.58 1.04 -0.08 -2.86 113.70 116.00 1x0o s SER 14 Ca 0.10 -0.51 -0.02 0.00 0.48 0.00 0.00 55.95 56.00 1x0o s SER 14 Cb -0.11 0.04 -0.03 0.00 0.10 0.00 0.00 66.02 66.02 1x0o s SER 14 CO -0.00 -0.20 -0.05 -0.13 0.98 0.00 0.00 173.24 173.84 1x0o s ARG 15 N -1.45 3.23 0.06 4.02 3.00 0.47 -0.42 118.95 127.86 1x0o s ARG 15 Ca -0.10 -0.53 -0.04 0.00 0.00 0.00 0.00 55.73 55.07 1x0o s ARG 15 Cb -0.09 -2.76 -0.02 0.00 0.00 0.00 0.00 34.95 32.07 1x0o s ARG 15 CO 0.00 0.45 0.05 -3.38 0.00 0.00 0.00 175.30 172.42 1x0o s HIS 16 N -0.22 0.36 0.53 -0.53 -3.43 0.15 -1.64 115.29 110.50 1x0o s HIS 16 Ca 0.04 -0.82 -0.18 0.00 -0.80 0.00 0.00 55.06 53.29 1x0o s HIS 16 Cb -0.13 -0.25 -0.06 0.00 -1.43 0.00 0.00 32.58 30.71 1x0o s HIS 16 CO 0.02 -0.41 1.05 1.21 -2.00 0.00 0.00 174.74 174.61 1x0o s ASN 17 N -2.69 6.10 0.58 7.38 2.47 0.94 -0.34 114.94 129.39 1x0o s ASN 17 Ca 0.03 1.89 0.30 0.00 0.42 0.00 0.00 52.86 55.50 1x0o s ASN 17 Cb 0.05 -2.55 1.41 0.00 -1.45 0.00 0.00 41.25 38.71 1x0o s ASN 17 CO -0.09 -0.95 1.80 0.16 -3.72 0.00 0.00 177.10 174.30 1x0o h ILE 18 N 1.10 0.33 0.00 -5.21 3.07 -1.90 0.67 117.51 115.56 1x0o h ILE 18 Ca -0.48 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.93 1x0o h ILE 18 Cb 1.22 0.50 0.00 0.00 -0.27 0.00 0.00 36.82 38.27 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 -3.74 0.00 0.00 0.16 1.02 -1.26 -4.84 120.64 111.98 1x0o n GLU 19 Ca 0.13 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 1x0o n GLU 19 Cb 0.89 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.81 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 0.64 1.05 3.63 0.62 0.00 0.23 -4.89 105.19 106.46 1x0o n GLY 20 Ca 0.05 0.00 -0.42 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 4.79 0.02 -0.61 -1.09 -1.01 -1.00 121.20 120.29 1x0o s ILE 21 Ca 0.00 1.42 -0.30 0.00 -2.23 0.00 0.00 60.65 59.54 1x0o s ILE 21 Cb 0.00 -4.15 -0.07 0.00 -1.58 0.00 0.00 42.46 36.66 1x0o s ILE 21 CO 0.00 -0.18 1.57 -0.36 -1.23 0.00 0.00 174.94 174.74 1x0o s PHE 22 N 2.95 2.46 -0.13 3.97 0.08 -0.73 -0.04 117.98 126.54 1x0o s PHE 22 Ca 0.35 0.46 0.09 0.00 0.12 0.00 0.00 56.93 57.94 1x0o s PHE 22 Cb -0.15 -3.85 -0.14 0.00 -0.57 0.00 0.00 43.02 38.31 1x0o s PHE 22 CO 0.10 -3.39 0.00 0.25 -0.10 0.00 0.00 175.22 172.08 1x0o n THR 23 N 4.89 0.88 -3.71 0.64 -2.24 -0.68 -3.24 114.28 110.81 1x0o n THR 23 Ca 0.15 -0.50 -0.11 0.00 -2.27 0.00 0.00 64.05 61.32 1x0o n THR 23 Cb 0.42 -0.76 -0.11 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 -2.31 -0.51 -0.02 4.78 5.36 -0.65 -4.97 117.98 119.66 1x0o s PHE 24 Ca -0.10 1.14 0.04 0.00 -0.96 0.00 0.00 56.93 57.05 1x0o s PHE 24 Cb 0.04 0.20 -0.01 0.00 -0.34 0.00 0.00 43.02 42.91 1x0o s PHE 24 CO 0.49 -0.29 -0.13 0.08 -1.46 0.00 0.00 175.22 173.91 1x0o s VAL 25 N 1.02 1.07 0.43 3.12 1.01 -1.26 -0.39 120.40 125.39 1x0o s VAL 25 Ca -0.07 -0.56 -0.22 0.00 0.00 0.00 0.00 61.98 61.14 1x0o s VAL 25 Cb -0.07 -0.90 -0.10 0.00 0.00 0.00 0.00 36.38 35.30 1x0o s VAL 25 CO -0.08 0.31 0.97 -0.62 0.00 0.00 0.00 175.10 175.68 1x0o s ASP 26 N -0.16 6.85 0.66 3.32 -1.08 -1.14 -4.73 116.67 120.39 1x0o s ASP 26 Ca 0.02 1.78 0.36 0.00 -0.52 0.00 0.00 52.55 54.20 1x0o s ASP 26 Cb -0.07 -2.55 2.00 0.00 -1.46 0.00 0.00 42.92 40.84 1x0o s ASP 26 CO 0.00 -0.42 2.14 0.45 0.52 0.00 0.00 175.17 177.86 1x0o h HIS 27 N 2.04 0.00 0.00 -5.34 3.86 -1.97 -1.46 115.15 112.27 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 1.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.66 1x0o h HIS 27 CO 0.61 0.00 0.00 0.54 0.86 0.00 0.00 177.93 179.94 1x0o n ARG 28 N -3.08 0.04 -0.21 2.45 1.74 -1.26 -2.15 116.66 114.19 1x0o n ARG 28 Ca -0.02 0.31 0.03 0.00 -0.77 0.00 0.00 57.85 57.40 1x0o n ARG 28 Cb 0.24 -1.50 0.29 0.00 -1.02 0.00 0.00 32.46 30.47 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 0.91 1.26 0.02 0.00 -1.51 -0.82 -1.49 116.25 114.62 1x0o h VAL 30 Ca 0.30 -1.19 -0.00 0.00 -1.23 0.00 0.00 66.70 64.59 1x0o h VAL 30 Cb 0.07 1.21 0.00 0.00 -2.13 0.00 0.00 31.29 30.44 1x0o h VAL 30 CO -0.09 0.39 -0.01 0.00 -1.23 0.00 0.00 177.57 176.63 1x0o h ALA 31 N 1.28 -0.03 -0.35 5.19 0.00 -1.66 0.73 119.26 124.42 1x0o h ALA 31 Ca 0.09 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 54.71 1x0o h ALA 31 Cb 0.61 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 1x0o h ALA 31 CO 0.04 -0.14 0.01 1.15 0.00 0.00 0.00 179.25 180.31 1x0o h THR 32 N -0.78 0.75 0.00 0.00 2.02 -1.36 -3.40 112.91 110.13 1x0o h THR 32 Ca -0.00 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1x0o h THR 32 Cb 0.71 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1x0o h THR 32 CO 0.01 0.02 -0.39 1.33 0.37 0.00 0.00 175.52 176.86 1x0o n VAL 33 N -5.17 0.00 0.00 3.16 0.24 -0.60 -4.97 118.33 110.98 1x0o n VAL 33 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1x0o n VAL 33 Cb 0.18 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.27 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 1.38 2.29 3.76 7.63 0.00 0.25 0.23 105.19 120.72 1x0o n GLY 34 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.10 3.36 0.41 1.61 2.02 -1.24 -4.67 117.35 116.74 1x0o s TYR 35 Ca 0.00 1.53 -0.22 0.00 -0.37 0.00 0.00 57.07 58.01 1x0o s TYR 35 Cb 0.00 -3.46 -0.10 0.00 -0.40 0.00 0.00 41.96 38.00 1x0o s TYR 35 CO 0.00 -1.17 0.98 -0.65 -1.57 0.00 0.00 175.55 173.14 1x0o s GLN 36 N -1.30 4.22 0.28 -0.62 -1.52 -1.26 -1.76 119.66 117.70 1x0o s GLN 36 Ca 0.48 1.26 0.00 0.00 -1.95 0.00 0.00 55.36 55.15 1x0o s GLN 36 Cb -0.35 -2.35 0.64 0.00 -0.22 0.00 0.00 33.01 30.74 1x0o s GLN 36 CO 0.44 -0.05 1.66 -1.35 -0.25 0.00 0.00 175.29 175.73 1x0o h PRO 37 N 2.20 0.22 -0.87 2.91 0.11 -1.85 0.70 132.00 135.42 1x0o h PRO 37 Ca -0.49 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.64 1x0o h PRO 37 Cb 1.19 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 1x0o h PRO 37 CO 0.62 0.15 0.57 1.96 -0.21 0.00 0.00 178.00 181.09 1x0o h GLN 38 N 0.23 1.08 0.00 1.05 1.08 -1.92 -2.29 115.11 114.33 1x0o h GLN 38 Ca 0.52 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.60 1x0o h GLN 38 Cb 1.00 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 28.18 1x0o h GLN 38 CO -0.62 0.71 -0.26 0.93 -0.95 0.00 0.00 178.83 178.64 1x0o h GLU 39 N 1.11 0.00 0.06 1.46 5.08 -1.23 -1.77 114.58 119.29 1x0o h GLU 39 Ca 0.34 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.46 1x0o h GLU 39 Cb -0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1x0o h GLU 39 CO -0.09 0.26 -1.10 -0.07 -1.00 0.00 0.00 179.01 177.00 1x0o h LEU 40 N 0.00 0.22 -8.86 1.33 3.38 -1.31 -3.43 115.31 106.65 1x0o h LEU 40 Ca -0.00 -0.23 -0.57 0.00 0.09 0.00 0.00 57.88 57.17 1x0o h LEU 40 Cb 0.58 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1x0o h LEU 40 CO 0.03 1.17 1.38 -0.76 0.09 0.00 0.00 178.44 180.35 1x0o s LEU 41 N -6.97 3.46 0.00 1.67 1.43 -0.67 -1.04 118.68 116.56 1x0o s LEU 41 Ca -0.02 1.40 0.00 0.00 -1.03 0.00 0.00 54.13 54.49 1x0o s LEU 41 Cb 0.09 -3.36 0.00 0.00 0.03 0.00 0.00 46.19 42.95 1x0o s LEU 41 CO 0.85 -1.94 0.00 0.61 0.23 0.00 0.00 176.35 176.10 1x0o n GLY 42 N 5.60 1.63 3.91 -3.19 0.00 -1.20 -5.00 105.19 106.95 1x0o n GLY 42 Ca 0.26 0.00 -0.25 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 0.00 2.27 0.03 1.61 1.02 -0.21 -4.95 119.74 119.51 1x0o s LYS 43 Ca 0.00 -1.96 0.04 0.00 0.02 0.00 0.00 55.97 54.07 1x0o s LYS 43 Cb 0.00 -2.16 -0.04 0.00 -0.52 0.00 0.00 37.83 35.12 1x0o s LYS 43 CO 0.00 -0.60 -0.06 1.21 -0.92 0.00 0.00 175.35 174.98 1x0o s ASN 44 N -4.30 4.68 0.58 2.83 3.84 -1.26 -1.77 114.94 119.54 1x0o s ASN 44 Ca 0.37 -0.18 0.31 0.00 0.21 0.00 0.00 52.86 53.57 1x0o s ASN 44 Cb -0.02 -1.08 1.77 0.00 -0.55 0.00 0.00 41.25 41.37 1x0o s ASN 44 CO 0.23 0.25 2.21 -0.29 -2.79 0.00 0.00 177.10 176.71 1x0o h ILE 45 N 3.53 0.47 0.00 -5.21 2.10 -1.41 -0.38 117.51 116.60 1x0o h ILE 45 Ca -0.48 -0.18 -0.07 0.00 1.08 0.00 0.00 64.86 65.21 1x0o h ILE 45 Cb 1.17 1.12 -0.01 0.00 -1.09 0.00 0.00 36.82 38.00 1x0o h ILE 45 CO 0.55 0.04 -0.35 0.58 -1.08 0.00 0.00 178.15 177.89 1x0o h VAL 46 N 0.00 0.84 -0.43 2.19 2.07 -1.90 -0.89 116.25 118.13 1x0o h VAL 46 Ca -0.00 -1.43 -0.04 0.00 0.82 0.00 0.00 66.70 66.06 1x0o h VAL 46 Cb 0.11 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1x0o h VAL 46 CO 0.00 0.34 0.12 -0.33 0.02 0.00 0.00 177.57 177.72 1x0o h GLU 47 N 0.00 0.64 -0.51 1.57 4.39 -1.45 -2.11 114.58 117.10 1x0o h GLU 47 Ca -0.00 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1x0o h GLU 47 Cb 0.85 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 1x0o h GLU 47 CO 0.04 0.57 0.00 1.19 -1.16 0.00 0.00 179.01 179.66 1x0o n PHE 48 N -4.32 0.83 -3.10 4.33 3.72 -1.04 -4.93 117.46 112.95 1x0o n PHE 48 Ca 0.03 -0.55 -0.39 0.00 -0.05 0.00 0.00 57.45 56.49 1x0o n PHE 48 Cb 0.19 -0.08 -0.05 0.00 -0.94 0.00 0.00 39.48 38.60 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 3.27 1.53 -0.24 0.00 -0.00 -0.65 -4.74 115.22 114.39 1x0o n HIS 50 Ca -0.04 0.76 0.31 0.00 0.46 0.00 0.00 57.72 59.22 1x0o n HIS 50 Cb 0.51 -2.31 0.74 0.00 -0.12 0.00 0.00 29.99 28.81 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 5.07 0.00 -0.01 1.57 0.11 -1.92 0.78 132.00 137.61 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 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1x0o h PRO 51 CO 0.83 0.00 -0.27 0.39 -0.21 0.00 0.00 178.00 178.74 1x0o n GLU 52 N -4.22 0.76 0.00 1.05 -0.58 -1.26 -3.71 120.64 112.68 1x0o n GLU 52 Ca 0.21 -0.44 0.07 0.00 -0.42 0.00 0.00 57.16 56.58 1x0o n GLU 52 Cb 1.09 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 30.45 1x0o n GLU 52 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1x0o n ASP 53 N -0.73 1.31 -0.25 1.62 9.92 0.27 -4.55 116.55 124.15 1x0o n ASP 53 Ca 0.12 -1.16 -0.06 0.00 -0.53 0.00 0.00 54.79 53.16 1x0o n ASP 53 Cb 0.35 0.58 0.05 0.00 -0.64 0.00 0.00 41.12 41.45 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 1.25 0.94 -0.31 -1.24 4.20 -1.50 0.49 115.11 118.94 1x0o h GLN 54 Ca 0.00 -0.10 -0.11 0.00 0.06 0.00 0.00 58.65 58.51 1x0o h GLN 54 Cb 0.44 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1x0o h GLN 54 CO 0.00 0.68 -0.26 0.37 -0.67 0.00 0.00 178.83 178.96 1x0o h GLN 55 N 0.93 0.62 0.17 1.46 -0.00 -1.83 0.13 115.11 116.60 1x0o h GLN 55 Ca 0.24 -0.25 -0.01 0.00 -0.00 0.00 0.00 58.65 58.63 1x0o h GLN 55 Cb -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 27.48 27.45 1x0o h GLN 55 CO -0.04 0.82 -0.08 1.25 0.00 0.00 0.00 178.83 180.78 1x0o h LEU 56 N 0.54 -0.19 -0.48 -2.39 5.85 -1.53 0.23 115.31 117.33 1x0o h LEU 56 Ca 0.07 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1x0o h LEU 56 Cb 0.73 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 1x0o h LEU 56 CO 0.06 -0.14 0.24 -0.07 -0.34 0.00 0.00 178.44 178.18 1x0o h LEU 57 N -0.23 0.63 -0.20 2.25 3.38 -0.84 0.09 115.31 120.39 1x0o h LEU 57 Ca -0.02 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 57.86 1x0o h LEU 57 Cb 0.18 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1x0o h LEU 57 CO 0.04 0.58 -0.02 -0.09 0.09 0.00 0.00 178.44 179.04 1x0o h ARG 58 N 0.64 0.04 -0.46 1.13 2.43 -0.39 0.19 114.38 117.96 1x0o h ARG 58 Ca 0.17 -0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.21 1x0o h ARG 58 Cb 0.11 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1x0o h ARG 58 CO -0.02 0.02 -0.20 0.22 -1.51 0.00 0.00 179.97 178.48 1x0o h ASP 59 N 0.04 0.94 -0.63 -3.80 3.58 -0.45 -1.76 116.42 114.34 1x0o h ASP 59 Ca 0.09 -0.34 -0.09 0.00 0.42 0.00 0.00 57.03 57.11 1x0o h ASP 59 Cb 0.13 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.90 1x0o h ASP 59 CO -0.18 1.10 0.03 0.77 -2.88 0.00 0.00 179.24 178.09 1x0o h SER 60 N 0.80 1.06 -0.40 2.28 4.64 -0.41 0.22 113.55 121.74 1x0o h SER 60 Ca 0.11 -0.29 -0.06 0.00 -0.47 0.00 0.00 61.79 61.07 1x0o h SER 60 Cb 0.75 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 1x0o h SER 60 CO 0.06 1.09 0.03 -0.26 -0.87 0.00 0.00 176.83 176.88 1x0o h PHE 61 N 1.00 0.80 -0.35 4.77 0.04 -0.55 -1.22 116.94 121.44 1x0o h PHE 61 Ca 0.18 -0.10 -0.07 0.00 2.80 0.00 0.00 57.97 60.78 1x0o h PHE 61 Cb 0.53 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.43 1x0o h PHE 61 CO 0.04 0.73 -0.08 1.96 -0.60 0.00 0.00 178.31 180.36 1x0o h GLN 62 N 0.72 0.58 0.14 1.51 1.08 -0.36 -2.35 115.11 116.44 1x0o h GLN 62 Ca 0.15 -0.16 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 1x0o h GLN 62 Cb 0.40 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 1x0o h GLN 62 CO 0.01 0.66 -0.07 1.96 -0.95 0.00 0.00 178.83 180.45 1x0o h GLN 63 N 0.54 -0.18 0.00 1.46 1.08 0.35 -2.67 115.11 115.69 1x0o h GLN 63 Ca 0.10 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.31 1x0o h GLN 63 Cb 0.47 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.94 1x0o h GLN 63 CO 0.03 -0.03 -0.04 -0.24 -0.95 0.00 0.00 178.83 177.59 1x0o h VAL 64 N -0.29 0.14 -0.28 -0.54 3.04 -1.07 0.61 116.25 117.87 1x0o h VAL 64 Ca -0.02 -0.45 -0.12 0.00 -1.01 0.00 0.00 66.70 65.11 1x0o h VAL 64 Cb 0.23 1.38 -0.00 0.00 -2.01 0.00 0.00 31.29 30.89 1x0o h VAL 64 CO 0.03 0.04 -0.30 0.58 -1.01 0.00 0.00 177.57 176.91 1x0o h VAL 65 N 0.00 1.30 0.00 1.51 2.07 -1.16 -2.84 116.25 117.13 1x0o h VAL 65 Ca -0.00 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.05 1x0o h VAL 65 Cb 0.38 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1x0o h VAL 65 CO 0.01 0.47 -0.52 0.07 0.02 0.00 0.00 177.57 177.61 1x0o h LYS 66 N 0.42 0.00 -0.99 1.57 2.10 -1.01 -3.25 116.57 115.41 1x0o h LYS 66 Ca 0.04 0.00 -0.38 0.00 -2.00 0.00 0.00 60.65 58.32 1x0o h LYS 66 Cb 0.87 0.00 -0.22 0.00 -0.90 0.00 0.00 32.23 31.98 1x0o h LYS 66 CO 0.07 0.00 0.48 1.28 -2.00 0.00 0.00 179.45 179.28 1x0o n LEU 67 N -2.66 5.75 -2.04 7.07 4.77 0.20 -5.00 117.00 125.09 1x0o n LEU 67 Ca 0.02 -3.04 -0.28 0.00 -0.03 0.00 0.00 56.01 52.67 1x0o n LEU 67 Cb 0.51 -0.75 -0.06 0.00 -2.33 0.00 0.00 43.42 40.79 1x0o n LEU 67 CO 0.37 0.90 0.84 0.29 -1.33 0.00 0.00 177.39 178.45 1x0o n LYS 68 N -0.69 0.00 0.00 3.23 5.02 -1.08 -0.00 118.16 124.64 1x0o n LYS 68 Ca 0.44 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 1x0o n LYS 68 Cb 1.36 -0.72 0.00 0.00 -0.02 0.00 0.00 35.03 35.66 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 3.58 2.83 3.84 0.72 0.00 -1.26 -5.04 105.19 109.86 1x0o n GLY 69 Ca 0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.65 3.79 -0.27 1.61 -0.21 1.00 -4.90 119.66 120.03 1x0o s GLN 70 Ca 0.00 0.24 -0.29 0.00 0.02 0.00 0.00 55.36 55.33 1x0o s GLN 70 Cb 0.00 -3.22 0.01 0.00 1.00 0.00 0.00 33.01 30.80 1x0o s GLN 70 CO 0.00 0.70 1.15 0.08 -2.12 0.00 0.00 175.29 175.09 1x0o s VAL 71 N -0.99 4.43 -0.33 1.09 1.01 -1.26 -4.59 120.40 119.76 1x0o s VAL 71 Ca 0.21 1.67 -0.12 0.00 0.00 0.00 0.00 61.98 63.74 1x0o s VAL 71 Cb -0.15 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 31.94 1x0o s VAL 71 CO 0.10 -0.37 0.21 -0.22 0.00 0.00 0.00 175.10 174.82 1x0o s LEU 72 N 3.70 4.37 -0.25 3.92 1.98 0.55 -4.83 118.68 128.12 1x0o s LEU 72 Ca 0.49 -0.45 -0.17 0.00 -2.89 0.00 0.00 54.13 51.11 1x0o s LEU 72 Cb -0.15 -2.09 -0.03 0.00 0.66 0.00 0.00 46.19 44.58 1x0o s LEU 72 CO 0.15 -0.22 0.48 -0.94 -1.89 0.00 0.00 176.35 173.93 1x0o s SER 73 N 1.69 6.42 -0.03 3.68 1.04 -1.26 0.05 113.70 125.28 1x0o s SER 73 Ca 0.06 0.50 0.03 0.00 0.48 0.00 0.00 55.95 57.01 1x0o s SER 73 Cb -0.17 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.68 1x0o s SER 73 CO 0.09 -0.23 -0.11 0.54 0.98 0.00 0.00 173.24 174.50 1x0o s VAL 74 N 2.09 0.95 -0.17 5.02 0.11 -0.32 -4.99 120.40 123.09 1x0o s VAL 74 Ca 0.20 -0.46 -0.01 0.00 -2.93 0.00 0.00 61.98 58.78 1x0o s VAL 74 Cb -0.16 -0.84 -0.01 0.00 -1.53 0.00 0.00 36.38 33.85 1x0o s VAL 74 CO 0.09 0.29 -0.11 -0.32 -3.33 0.00 0.00 175.10 171.72 1x0o s MET 75 N 0.15 3.31 0.34 1.54 1.75 -1.26 -0.13 119.30 125.00 1x0o s MET 75 Ca -0.03 -0.69 -0.03 0.00 -1.25 0.00 0.00 55.69 53.69 1x0o s MET 75 Cb -0.09 -2.77 0.00 0.00 2.84 0.00 0.00 34.83 34.81 1x0o s MET 75 CO 0.01 -0.02 0.49 -0.59 -0.65 0.00 0.00 175.02 174.25 1x0o s PHE 76 N 0.96 1.02 -0.28 4.11 -0.71 -0.73 -5.00 117.98 117.36 1x0o s PHE 76 Ca -0.02 -1.27 -0.09 0.00 -1.04 0.00 0.00 56.93 54.51 1x0o s PHE 76 Cb -0.15 -0.05 -0.03 0.00 -1.21 0.00 0.00 43.02 41.58 1x0o s PHE 76 CO -0.01 -1.15 0.14 1.03 -1.34 0.00 0.00 175.22 173.89 1x0o s ARG 77 N -3.04 3.66 -0.01 1.99 0.52 -1.26 -0.34 118.95 120.47 1x0o s ARG 77 Ca 0.30 -0.50 -0.17 0.00 -0.52 0.00 0.00 55.73 54.84 1x0o s ARG 77 Cb -0.01 -3.52 -0.06 0.00 0.52 0.00 0.00 34.95 31.89 1x0o s ARG 77 CO 0.20 -0.26 0.47 0.12 0.02 0.00 0.00 175.30 175.85 1x0o s PHE 78 N 1.67 3.69 -0.51 -0.53 2.19 0.65 -1.63 117.98 123.50 1x0o s PHE 78 Ca 0.06 1.04 -0.28 0.00 0.33 0.00 0.00 56.93 58.09 1x0o s PHE 78 Cb -0.16 -2.42 0.03 0.00 -1.31 0.00 0.00 43.02 39.16 1x0o s PHE 78 CO 0.07 0.49 1.11 0.50 1.83 0.00 0.00 175.22 179.22 1x0o s ARG 79 N -0.60 3.60 1.20 10.12 3.52 -0.27 -1.40 118.95 135.12 1x0o s ARG 79 Ca 0.26 0.34 -0.20 0.00 -0.13 0.00 0.00 55.73 55.99 1x0o s ARG 79 Cb -0.17 -3.96 0.31 0.00 -1.56 0.00 0.00 34.95 29.57 1x0o s ARG 79 CO 0.14 -1.46 0.83 -1.13 -0.81 0.00 0.00 175.30 172.87 1x0o n SER 80 N 7.89 -3.16 0.00 -2.12 3.41 0.88 -4.85 113.62 115.67 1x0o n SER 80 Ca 0.09 -0.88 0.12 0.00 -0.26 0.00 0.00 58.87 57.94 1x0o n SER 80 Cb 0.49 -0.87 0.59 0.00 -0.26 0.00 0.00 64.21 64.17 1x0o n SER 80 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1x0o n LYS 81 N -4.97 0.22 -0.05 4.33 3.00 0.13 -1.69 118.16 119.13 1x0o n LYS 81 Ca 0.12 0.06 0.12 0.00 -0.00 0.00 0.00 58.31 58.61 1x0o n LYS 81 Cb 0.52 -1.50 0.24 0.00 0.00 0.00 0.00 35.03 34.29 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 -1.37 2.67 -1.54 3.14 3.02 -1.26 -4.92 115.26 115.01 1x0o n ASN 82 Ca 0.10 -1.87 -0.14 0.00 -0.03 0.00 0.00 54.58 52.63 1x0o n ASN 82 Cb 0.24 -0.07 -0.02 0.00 -0.61 0.00 0.00 39.78 39.32 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 1.05 -1.12 -4.11 3.52 3.00 -0.68 -5.01 117.38 114.02 1x0o n GLN 83 Ca 0.16 0.77 -0.28 0.00 -0.01 0.00 0.00 57.00 57.64 1x0o n GLN 83 Cb 0.52 -5.03 -0.07 0.00 0.00 0.00 0.00 30.24 25.66 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 -4.41 2.70 -0.42 -1.09 -1.05 -1.26 -4.86 118.70 108.31 1x0o s GLU 84 Ca 0.00 -0.87 -0.05 0.00 -0.15 0.00 0.00 54.97 53.90 1x0o s GLU 84 Cb 0.00 -2.57 0.11 0.00 -0.44 0.00 0.00 34.13 31.22 1x0o s GLU 84 CO 0.00 0.51 0.23 -1.58 0.95 0.00 0.00 175.26 175.37 1x0o s TRP 85 N -1.55 3.51 0.23 4.83 0.52 -1.26 -0.09 118.94 125.13 1x0o s TRP 85 Ca 0.28 -2.16 0.05 0.00 0.02 0.00 0.00 56.10 54.29 1x0o s TRP 85 Cb -0.11 -3.20 -0.03 0.00 -1.15 0.00 0.00 33.47 28.98 1x0o s TRP 85 CO 0.21 -0.96 0.34 -0.48 0.02 0.00 0.00 176.95 176.08 1x0o s LEU 86 N 1.23 4.31 -0.03 2.99 -0.00 -0.49 -4.76 118.68 121.93 1x0o s LEU 86 Ca 0.06 0.08 -0.30 0.00 -0.00 0.00 0.00 54.13 53.97 1x0o s LEU 86 Cb -0.23 -2.85 -0.05 0.00 -0.00 0.00 0.00 46.19 43.05 1x0o s LEU 86 CO -0.03 -0.05 1.38 0.26 -0.00 0.00 0.00 176.35 177.91 1x0o s TRP 87 N -1.95 2.84 -0.07 3.48 0.52 -1.26 -0.25 118.94 122.25 1x0o s TRP 87 Ca 0.34 0.85 0.00 0.00 0.02 0.00 0.00 56.10 57.31 1x0o s TRP 87 Cb -0.09 -3.63 0.02 0.00 -1.15 0.00 0.00 33.47 28.62 1x0o s TRP 87 CO 0.29 -2.32 -0.04 1.41 0.02 0.00 0.00 176.95 176.31 1x0o s MET 88 N 2.59 0.93 -0.39 4.98 1.75 0.54 0.78 119.30 130.47 1x0o s MET 88 Ca 0.63 -0.07 -0.16 0.00 -1.25 0.00 0.00 55.69 54.83 1x0o s MET 88 Cb -0.30 -1.05 0.01 0.00 2.84 0.00 0.00 34.83 36.33 1x0o s MET 88 CO 0.25 -0.18 0.37 0.50 -0.65 0.00 0.00 175.02 175.31 1x0o s ARG 89 N 1.41 3.20 -0.17 4.11 3.52 0.72 -1.77 118.95 129.97 1x0o s ARG 89 Ca -0.03 -0.73 -0.16 0.00 -0.13 0.00 0.00 55.73 54.68 1x0o s ARG 89 Cb -0.13 -3.92 -0.04 0.00 -1.56 0.00 0.00 34.95 29.29 1x0o s ARG 89 CO -0.03 -0.72 0.38 0.99 -0.81 0.00 0.00 175.30 175.11 1x0o s THR 90 N 1.97 5.23 -0.34 4.11 2.01 0.82 -1.73 115.64 127.70 1x0o s THR 90 Ca 0.10 0.71 -0.17 0.00 0.31 0.00 0.00 61.69 62.64 1x0o s THR 90 Cb -0.17 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.61 1x0o s THR 90 CO 0.12 0.30 0.45 -0.44 -0.69 0.00 0.00 174.62 174.37 1x0o s SER 91 N 0.81 6.27 -0.20 3.53 0.01 0.82 -1.17 113.70 123.77 1x0o s SER 91 Ca 0.20 -0.06 -0.16 0.00 1.31 0.00 0.00 55.95 57.23 1x0o s SER 91 Cb -0.14 -2.24 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 1x0o s SER 91 CO 0.07 -0.41 0.41 -0.44 0.41 0.00 0.00 173.24 173.28 1x0o s SER 92 N 1.74 6.46 -0.05 2.44 0.01 0.11 -1.65 113.70 122.75 1x0o s SER 92 Ca 0.16 0.54 0.05 0.00 1.31 0.00 0.00 55.95 58.01 1x0o s SER 92 Cb -0.16 -2.24 -0.00 0.00 0.21 0.00 0.00 66.02 63.83 1x0o s SER 92 CO 0.12 -0.08 -0.19 0.12 0.41 0.00 0.00 173.24 173.63 1x0o s PHE 93 N 1.27 1.89 -0.41 2.43 5.36 -0.46 -0.33 117.98 127.74 1x0o s PHE 93 Ca 0.20 -0.56 -0.15 0.00 -0.96 0.00 0.00 56.93 55.45 1x0o s PHE 93 Cb -0.15 -1.27 0.02 0.00 -0.34 0.00 0.00 43.02 41.29 1x0o s PHE 93 CO 0.08 -0.19 0.32 0.95 -1.46 0.00 0.00 175.22 174.92 1x0o s THR 94 N 0.02 5.24 -0.53 0.12 -4.23 -1.26 -0.02 115.64 114.97 1x0o s THR 94 Ca -0.04 -0.62 -0.29 0.00 -1.18 0.00 0.00 61.69 59.56 1x0o s THR 94 Cb -0.12 -3.94 0.03 0.00 1.34 0.00 0.00 72.50 69.80 1x0o s THR 94 CO 0.03 -0.33 1.20 0.12 -0.54 0.00 0.00 174.62 175.10 1x0o s PHE 95 N 1.74 2.66 -0.04 3.99 5.36 -0.67 -4.15 117.98 126.87 1x0o s PHE 95 Ca 0.06 0.56 -0.05 0.00 -0.96 0.00 0.00 56.93 56.54 1x0o s PHE 95 Cb -0.19 -4.47 -0.04 0.00 -0.34 0.00 0.00 43.02 37.98 1x0o s PHE 95 CO 0.10 -1.50 0.19 -0.65 -1.46 0.00 0.00 175.22 171.90 1x0o s GLN 96 N 4.78 3.47 -0.18 10.12 -0.21 -1.26 -0.26 119.66 136.11 1x0o s GLN 96 Ca 0.47 -0.22 -0.27 0.00 0.02 0.00 0.00 55.36 55.36 1x0o s GLN 96 Cb -0.08 -3.12 -0.01 0.00 1.00 0.00 0.00 33.01 30.80 1x0o s GLN 96 CO 0.29 0.70 0.93 1.21 -2.12 0.00 0.00 175.29 176.30 1x0o s ASN 97 N -1.62 7.05 0.64 5.90 3.84 -0.30 -4.91 114.94 125.54 1x0o s ASN 97 Ca 0.24 1.30 0.41 0.00 0.21 0.00 0.00 52.86 55.02 1x0o s ASN 97 Cb -0.13 -2.50 2.21 0.00 -0.55 0.00 0.00 41.25 40.29 1x0o s ASN 97 CO 0.14 -0.50 2.30 1.55 -2.79 0.00 0.00 177.10 177.80 1x0o h PRO 98 N 7.35 0.00 0.00 0.43 0.13 -1.95 0.58 132.00 138.54 1x0o h PRO 98 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1x0o h PRO 98 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1x0o h PRO 98 CO 0.88 0.00 -0.95 0.66 -0.23 0.00 0.00 178.00 178.37 1x0o n TYR 99 N -3.17 0.00 -0.02 1.56 4.02 -1.26 -4.51 117.16 113.78 1x0o n TYR 99 Ca -0.02 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 57.86 1x0o n TYR 99 Cb 0.11 -0.07 -0.06 0.00 -0.02 0.00 0.00 39.34 39.30 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 -1.51 3.12 0.00 7.72 7.64 -0.60 -4.99 113.62 125.00 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 0.29 1.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.49 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 -2.06 0.00 -4.80 6.43 2.03 0.19 -4.96 116.55 113.39 1x0o n ASP 101 Ca -0.07 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.95 1x0o n ASP 101 Cb 0.50 -0.19 0.13 0.00 -0.72 0.00 0.00 41.12 40.84 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 1.32 -0.22 -0.67 -1.05 -1.26 -4.66 118.70 112.17 1x0o s GLU 102 Ca 0.00 0.24 -0.08 0.00 -0.15 0.00 0.00 54.97 54.97 1x0o s GLU 102 Cb 0.00 -1.87 -0.04 0.00 -0.44 0.00 0.00 34.13 31.79 1x0o s GLU 102 CO 0.00 -2.06 0.09 0.42 0.95 0.00 0.00 175.26 174.66 1x0o s ILE 103 N -3.36 4.75 0.02 1.83 1.01 -1.26 -1.15 121.20 123.04 1x0o s ILE 103 Ca 0.63 -0.04 -0.24 0.00 0.00 0.00 0.00 60.65 61.01 1x0o s ILE 103 Cb -0.14 -3.18 -0.17 0.00 0.01 0.00 0.00 42.46 38.98 1x0o s ILE 103 CO 0.52 0.39 1.40 -0.33 0.00 0.00 0.00 174.94 176.92 1x0o h GLU 104 N 7.42 0.08 0.00 2.79 4.39 -0.98 -3.49 114.58 124.79 1x0o h GLU 104 Ca -0.37 -0.03 0.18 0.00 0.34 0.00 0.00 59.36 59.48 1x0o h GLU 104 Cb 1.17 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.78 1x0o h GLU 104 CO 0.64 0.43 0.46 2.48 -1.16 0.00 0.00 179.01 181.86 1x0o n TYR 105 N -4.85 -0.08 -3.96 4.33 0.18 -1.25 -4.90 117.16 106.64 1x0o n TYR 105 Ca -0.07 -0.26 -0.37 0.00 1.88 0.00 0.00 57.90 59.08 1x0o n TYR 105 Cb 0.21 0.11 -0.07 0.00 -0.38 0.00 0.00 39.34 39.22 1x0o n TYR 105 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1x0o s ILE 106 N -2.03 5.32 -0.29 -3.48 1.01 0.54 -1.67 121.20 120.60 1x0o s ILE 106 Ca 0.15 0.14 -0.03 0.00 0.00 0.00 0.00 60.65 60.91 1x0o s ILE 106 Cb -0.00 -3.31 0.04 0.00 0.01 0.00 0.00 42.46 39.20 1x0o s ILE 106 CO -0.01 0.62 0.01 -0.63 0.00 0.00 0.00 174.94 174.92 1x0o s ILE 107 N -1.00 3.19 -0.22 2.92 1.01 0.97 -0.68 121.20 127.40 1x0o s ILE 107 Ca 0.15 -1.16 -0.04 0.00 0.00 0.00 0.00 60.65 59.60 1x0o s ILE 107 Cb -0.12 -2.75 -0.00 0.00 0.01 0.00 0.00 42.46 39.60 1x0o s ILE 107 CO 0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 174.94 174.92 1x0o s THR 109 N 1.47 5.09 -0.24 0.00 2.01 -0.66 -0.91 115.64 122.41 1x0o s THR 109 Ca 0.05 1.28 0.01 0.00 0.31 0.00 0.00 61.69 63.35 1x0o s THR 109 Cb -0.14 -3.96 0.04 0.00 0.01 0.00 0.00 72.50 68.44 1x0o s THR 109 CO -0.03 0.28 -0.13 0.20 -0.69 0.00 0.00 174.62 174.25 1x0o s ASN 110 N 0.73 4.04 -0.28 3.53 0.01 0.12 -0.13 114.94 122.97 1x0o s ASN 110 Ca 0.34 -1.08 -0.04 0.00 -0.71 0.00 0.00 52.86 51.37 1x0o s ASN 110 Cb -0.17 -1.55 0.02 0.00 0.41 0.00 0.00 41.25 39.96 1x0o s ASN 110 CO 0.15 -0.13 0.00 -0.89 -1.51 0.00 0.00 177.10 174.73 1x0o s THR 111 N 1.20 3.29 -0.22 1.60 2.01 -0.71 -1.72 115.64 121.09 1x0o s THR 111 Ca -0.03 -0.97 -0.27 0.00 0.31 0.00 0.00 61.69 60.73 1x0o s THR 111 Cb -0.17 -2.72 0.00 0.00 0.01 0.00 0.00 72.50 69.62 1x0o s THR 111 CO -0.07 0.10 0.94 0.21 -0.69 0.00 0.00 174.62 175.11 1x0o s ASN 112 N 1.38 7.00 0.00 3.53 3.04 -1.17 -0.20 114.94 128.52 1x0o s ASN 112 Ca 0.00 1.25 0.00 0.00 0.04 0.00 0.00 52.86 54.15 1x0o s ASN 112 Cb -0.17 -2.50 0.00 0.00 -1.54 0.00 0.00 41.25 37.04 1x0o s ASN 112 CO -0.01 -0.57 0.00 0.52 -3.04 0.00 0.00 177.10 173.99 1x0o n VAL 113 N 5.19 0.00 -2.45 -5.21 0.31 0.23 -4.96 118.33 111.43 1x0o n VAL 113 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 1x0o n VAL 113 Cb 0.47 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.40 1x0o n VAL 113 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1x0o n LYS 114 N 0.00 2.13 0.00 5.55 4.76 -1.26 -4.79 118.16 124.55 1x0o n LYS 114 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1x0o n LYS 114 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1x0o n LYS 114 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1x0o n ASN 115 N 0.00 0.00 -0.35 4.39 2.85 -1.26 -4.34 115.26 116.55 1x0o n ASN 115 Ca 0.00 0.00 0.02 0.00 -0.11 0.00 0.00 54.58 54.49 1x0o n ASN 115 Cb 0.00 0.00 0.06 0.00 1.24 0.00 0.00 39.78 41.08 1x0o n ASN 115 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1x0o n SER 116 N 2.12 0.95 -4.62 1.20 3.41 -1.26 -4.85 113.62 110.57 1x0o n SER 116 Ca 0.00 -2.04 -0.43 0.00 -0.26 0.00 0.00 58.87 56.14 1x0o n SER 116 Cb 0.00 -0.19 -0.02 0.00 -0.26 0.00 0.00 64.21 63.74 1x0o n SER 116 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x0o s SER 117 N -0.80 6.46 -0.09 4.04 0.01 -1.26 -4.87 113.70 117.19 1x0o s SER 117 Ca 0.09 1.25 -0.14 0.00 1.31 0.00 0.00 55.95 58.46 1x0o s SER 117 Cb 0.05 -2.54 -0.28 0.00 0.21 0.00 0.00 66.02 63.46 1x0o s SER 117 CO 0.05 -1.25 0.59 -0.61 0.41 0.00 0.00 173.24 172.43 1x0o h GLN 118 N 10.26 0.29 0.00 12.44 4.15 -2.00 -3.53 115.11 136.72 1x0o h GLN 118 Ca -0.29 -0.50 0.00 0.00 0.77 0.00 0.00 58.65 58.63 1x0o h GLN 118 Cb 1.12 0.19 0.00 0.00 0.21 0.00 0.00 27.48 29.00 1x0o h GLN 118 CO 1.04 1.24 0.00 -1.91 -1.93 0.00 0.00 178.83 177.26