#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 0.62 -0.81 4.61 0.00 -1.26 -5.09 120.51 118.58 1x0o n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1x0o n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -3.18 0.00 -3.56 0.00 0.00 -1.26 -4.86 117.12 104.26 1x0o n MET 3 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 57.70 57.52 1x0o n MET 3 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 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 7.53 -5.80 -3.66 7.83 2.03 -1.26 -4.97 116.55 118.25 1x0o n ASP 4 Ca 0.00 -0.70 -0.15 0.00 0.52 0.00 0.00 54.79 54.46 1x0o n ASP 4 Cb 0.00 -2.94 -0.08 0.00 -0.72 0.00 0.00 41.12 37.38 1x0o n ASP 4 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1x0o s ASN 5 N -3.04 -0.45 0.00 1.67 2.20 -1.26 -5.06 114.94 109.00 1x0o s ASN 5 Ca 0.05 0.58 0.00 0.00 -0.94 0.00 0.00 52.86 52.54 1x0o s ASN 5 Cb -0.02 0.61 0.00 0.00 -2.00 0.00 0.00 41.25 39.84 1x0o s ASN 5 CO 0.85 -0.42 0.00 0.55 -2.94 0.00 0.00 177.10 175.14 1x0o n VAL 6 N 1.60 0.00 -3.45 3.54 3.14 -1.26 -5.05 118.33 116.84 1x0o n VAL 6 Ca -0.18 0.00 -0.18 0.00 -2.96 0.00 0.00 64.34 61.02 1x0o n VAL 6 Cb 0.56 -0.10 -0.12 0.00 -1.06 0.00 0.00 33.84 33.13 1x0o n VAL 6 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1x0o s GLN 8 N 2.34 1.51 0.75 0.00 -1.52 -1.26 -5.11 119.66 116.36 1x0o s GLN 8 Ca 0.08 -1.53 -0.15 0.00 -1.95 0.00 0.00 55.36 51.81 1x0o s GLN 8 Cb -0.15 -1.81 0.04 0.00 -0.22 0.00 0.00 33.01 30.87 1x0o s GLN 8 CO -0.22 0.39 1.21 -2.30 -0.25 0.00 0.00 175.29 174.12 1x0o n PRO 9 N 0.22 0.54 -0.19 2.91 -0.02 -1.26 -4.76 135.00 132.44 1x0o n PRO 9 Ca -0.12 0.25 0.02 0.00 -2.02 0.00 0.00 63.50 61.63 1x0o n PRO 9 Cb 0.56 -2.45 0.10 0.00 -0.02 0.00 0.00 33.50 31.70 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 -2.74 0.57 -4.90 3.45 -1.04 -1.26 -4.22 114.28 104.14 1x0o n THR 10 Ca 0.14 -0.34 -0.27 0.00 -2.04 0.00 0.00 64.05 61.54 1x0o n THR 10 Cb 0.49 -0.22 -0.16 0.00 -1.82 0.00 0.00 70.33 68.62 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 -1.58 1.95 0.03 -2.82 2.12 -1.26 -3.08 118.70 114.06 1x0o s GLU 11 Ca 0.14 -0.65 0.05 0.00 0.36 0.00 0.00 54.97 54.87 1x0o s GLU 11 Cb 0.10 -1.67 -0.02 0.00 0.26 0.00 0.00 34.13 32.80 1x0o s GLU 11 CO 0.06 0.24 -0.15 -0.59 -0.54 0.00 0.00 175.26 174.29 1x0o s PHE 12 N 0.07 1.32 -0.23 5.30 -0.71 -0.94 -4.79 117.98 118.01 1x0o s PHE 12 Ca -0.05 -0.33 -0.10 0.00 -1.04 0.00 0.00 56.93 55.41 1x0o s PHE 12 Cb -0.12 -0.80 -0.05 0.00 -1.21 0.00 0.00 43.02 40.84 1x0o s PHE 12 CO 0.03 0.03 0.14 0.42 -1.34 0.00 0.00 175.22 174.50 1x0o s ILE 13 N -0.72 5.32 0.04 -4.49 1.01 -1.26 -1.17 121.20 119.92 1x0o s ILE 13 Ca 0.03 0.16 0.04 0.00 0.00 0.00 0.00 60.65 60.88 1x0o s ILE 13 Cb -0.07 -3.46 -0.02 0.00 0.01 0.00 0.00 42.46 38.91 1x0o s ILE 13 CO 0.01 0.38 -0.11 -0.94 0.00 0.00 0.00 174.94 174.28 1x0o s SER 14 N 0.83 1.31 -0.08 3.58 1.04 -0.12 -2.64 113.70 117.62 1x0o s SER 14 Ca 0.07 -0.45 0.05 0.00 0.48 0.00 0.00 55.95 56.09 1x0o s SER 14 Cb -0.13 -0.06 -0.00 0.00 0.10 0.00 0.00 66.02 65.93 1x0o s SER 14 CO 0.02 -0.04 -0.24 -0.13 0.98 0.00 0.00 173.24 173.83 1x0o s ARG 15 N -1.20 2.87 0.01 4.02 0.52 0.50 -0.52 118.95 125.16 1x0o s ARG 15 Ca -0.02 -0.88 -0.02 0.00 -0.52 0.00 0.00 55.73 54.29 1x0o s ARG 15 Cb -0.08 -2.26 -0.01 0.00 0.52 0.00 0.00 34.95 33.12 1x0o s ARG 15 CO 0.01 0.26 0.02 -3.38 0.02 0.00 0.00 175.30 172.23 1x0o s HIS 16 N 0.14 0.18 0.71 -0.53 -3.43 0.07 -1.65 115.29 110.78 1x0o s HIS 16 Ca -0.13 -0.38 -0.12 0.00 -0.80 0.00 0.00 55.06 53.63 1x0o s HIS 16 Cb -0.16 -0.14 0.02 0.00 -1.43 0.00 0.00 32.58 30.87 1x0o s HIS 16 CO 0.07 -0.21 1.08 1.21 -2.00 0.00 0.00 174.74 174.89 1x0o s ASN 17 N -1.36 5.00 0.58 7.38 2.47 0.12 -0.05 114.94 129.09 1x0o s ASN 17 Ca -0.15 1.80 0.30 0.00 0.42 0.00 0.00 52.86 55.23 1x0o s ASN 17 Cb -0.09 -2.52 1.43 0.00 -1.45 0.00 0.00 41.25 38.62 1x0o s ASN 17 CO -0.00 -1.70 1.82 0.16 -3.72 0.00 0.00 177.10 173.66 1x0o h ILE 18 N -0.61 0.35 0.00 -5.21 3.07 -1.88 0.81 117.51 114.04 1x0o h ILE 18 Ca -0.45 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.96 1x0o h ILE 18 Cb 1.23 0.52 0.00 0.00 -0.27 0.00 0.00 36.82 38.30 1x0o h ILE 18 CO 0.54 0.00 0.00 -0.62 -1.05 0.00 0.00 178.15 177.02 1x0o n GLU 19 N -3.77 0.03 0.00 0.16 1.02 -1.26 -4.85 120.64 111.98 1x0o n GLU 19 Ca 0.13 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 1x0o n GLU 19 Cb 0.85 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.73 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 0.82 1.05 3.62 0.62 0.00 0.28 -4.88 105.19 106.70 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 4.72 0.09 -0.61 -1.09 -0.98 -2.10 121.20 119.22 1x0o s ILE 21 Ca 0.00 1.34 -0.31 0.00 -2.23 0.00 0.00 60.65 59.45 1x0o s ILE 21 Cb 0.00 -4.22 -0.08 0.00 -1.58 0.00 0.00 42.46 36.59 1x0o s ILE 21 CO 0.00 -0.30 1.44 -0.36 -1.23 0.00 0.00 174.94 174.48 1x0o s PHE 22 N 3.13 3.05 -0.01 3.97 0.08 -0.75 0.14 117.98 127.58 1x0o s PHE 22 Ca 0.36 0.82 0.02 0.00 0.12 0.00 0.00 56.93 58.26 1x0o s PHE 22 Cb -0.14 -3.73 -0.03 0.00 -0.57 0.00 0.00 43.02 38.55 1x0o s PHE 22 CO 0.13 -2.65 0.03 -2.37 -0.10 0.00 0.00 175.22 170.26 1x0o n THR 23 N 4.21 0.09 -3.70 0.64 5.66 -0.71 -1.26 114.28 119.20 1x0o n THR 23 Ca 0.13 -0.08 -0.17 0.00 -3.05 0.00 0.00 64.05 60.88 1x0o n THR 23 Cb 0.42 -0.37 -0.16 0.00 -1.55 0.00 0.00 70.33 68.67 1x0o n THR 23 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 1x0o s PHE 24 N -2.10 -0.08 -0.01 1.09 5.36 -0.66 -4.97 117.98 116.59 1x0o s PHE 24 Ca -0.01 0.42 0.01 0.00 -0.96 0.00 0.00 56.93 56.39 1x0o s PHE 24 Cb 0.01 -0.27 0.00 0.00 -0.34 0.00 0.00 43.02 42.43 1x0o s PHE 24 CO 0.10 -0.20 -0.04 0.08 -1.46 0.00 0.00 175.22 173.70 1x0o s VAL 25 N 1.81 0.39 0.37 3.12 1.01 -1.26 -0.37 120.40 125.46 1x0o s VAL 25 Ca -0.01 -0.16 -0.19 0.00 0.00 0.00 0.00 61.98 61.62 1x0o s VAL 25 Cb -0.12 -0.36 -0.10 0.00 0.00 0.00 0.00 36.38 35.80 1x0o s VAL 25 CO -0.05 0.13 0.85 -0.62 0.00 0.00 0.00 175.10 175.41 1x0o s ASP 26 N 0.17 6.90 0.33 3.32 2.15 -1.08 -4.80 116.67 123.66 1x0o s ASP 26 Ca -0.02 1.51 0.18 0.00 0.43 0.00 0.00 52.55 54.66 1x0o s ASP 26 Cb -0.05 -2.46 1.01 0.00 -0.30 0.00 0.00 42.92 41.11 1x0o s ASP 26 CO -0.00 -0.26 1.52 1.41 -0.17 0.00 0.00 175.17 177.67 1x0o n HIS 27 N -0.38 0.63 0.27 -5.34 8.25 -1.26 -1.23 115.22 116.15 1x0o n HIS 27 Ca 0.05 0.33 0.08 0.00 -0.26 0.00 0.00 57.72 57.92 1x0o n HIS 27 Cb 0.53 -0.94 0.39 0.00 1.12 0.00 0.00 29.99 31.10 1x0o n HIS 27 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1x0o n ARG 28 N -2.19 0.10 -0.33 -0.41 1.74 -1.26 -2.40 116.66 111.91 1x0o n ARG 28 Ca -0.01 0.47 0.15 0.00 -0.77 0.00 0.00 57.85 57.70 1x0o n ARG 28 Cb 0.16 -1.76 0.38 0.00 -1.02 0.00 0.00 32.46 30.22 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 0.65 1.22 0.00 0.00 -1.51 -1.09 0.11 116.25 115.63 1x0o h VAL 30 Ca 0.57 -0.94 -0.00 0.00 -1.23 0.00 0.00 66.70 65.10 1x0o h VAL 30 Cb 1.03 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 1x0o h VAL 30 CO -0.34 0.31 -0.00 0.00 -1.23 0.00 0.00 177.57 176.31 1x0o h ALA 31 N 1.46 -0.01 0.34 5.19 0.00 -1.35 -0.57 119.26 124.33 1x0o h ALA 31 Ca 0.08 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1x0o h ALA 31 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1x0o h ALA 31 CO 0.02 -0.02 -0.22 1.15 0.00 0.00 0.00 179.25 180.18 1x0o h THR 32 N -0.97 0.53 0.00 0.00 2.02 -1.28 -3.39 112.91 109.82 1x0o h THR 32 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1x0o h THR 32 Cb 0.85 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1x0o h THR 32 CO 0.00 0.00 -0.51 1.33 0.37 0.00 0.00 175.52 176.71 1x0o n VAL 33 N -5.35 0.00 0.00 3.16 0.24 0.30 -4.97 118.33 111.70 1x0o n VAL 33 Ca -0.10 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 1x0o n VAL 33 Cb 0.26 0.72 0.00 0.00 -1.47 0.00 0.00 33.84 33.34 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 1.71 2.95 3.77 7.63 0.00 -0.22 -1.39 105.19 119.63 1x0o n GLY 34 Ca 0.00 -0.54 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.64 3.12 0.43 1.61 2.02 -1.25 -4.58 117.35 117.05 1x0o s TYR 35 Ca 0.00 1.57 -0.23 0.00 -0.37 0.00 0.00 57.07 58.04 1x0o s TYR 35 Cb 0.00 -3.38 -0.09 0.00 -0.40 0.00 0.00 41.96 38.10 1x0o s TYR 35 CO 0.00 -1.23 1.06 -0.65 -1.57 0.00 0.00 175.55 173.16 1x0o s GLN 36 N -2.23 4.03 0.19 -0.62 -1.52 -1.26 -2.31 119.66 115.94 1x0o s GLN 36 Ca 0.56 1.49 -0.17 0.00 -1.95 0.00 0.00 55.36 55.29 1x0o s GLN 36 Cb -0.30 -2.40 0.16 0.00 -0.22 0.00 0.00 33.01 30.24 1x0o s GLN 36 CO 0.38 -0.26 1.63 -1.35 -0.25 0.00 0.00 175.29 175.44 1x0o h PRO 37 N 2.20 -0.07 -0.56 2.91 0.11 -1.87 0.77 132.00 135.49 1x0o h PRO 37 Ca -0.49 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.72 1x0o h PRO 37 Cb 1.22 0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.27 1x0o h PRO 37 CO 0.61 -0.05 0.16 1.96 -0.21 0.00 0.00 178.00 180.47 1x0o h GLN 38 N -0.08 0.30 -0.07 1.05 7.50 -1.92 -0.55 115.11 121.35 1x0o h GLN 38 Ca 0.24 -0.02 -0.02 0.00 0.50 0.00 0.00 58.65 59.36 1x0o h GLN 38 Cb 0.45 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 27.91 1x0o h GLN 38 CO -0.57 0.20 -0.03 0.93 -1.50 0.00 0.00 178.83 177.86 1x0o h GLU 39 N 0.31 0.09 0.00 1.46 4.39 -1.27 -1.70 114.58 117.87 1x0o h GLU 39 Ca 0.28 -0.01 -0.21 0.00 0.34 0.00 0.00 59.36 59.76 1x0o h GLU 39 Cb 0.37 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 1x0o h GLU 39 CO -0.33 0.14 -1.13 1.25 -1.16 0.00 0.00 179.01 177.79 1x0o h LEU 40 N 0.10 0.00 -9.32 1.33 5.85 -0.30 -3.44 115.31 109.52 1x0o h LEU 40 Ca 0.02 0.00 -0.56 0.00 0.84 0.00 0.00 57.88 58.19 1x0o h LEU 40 Cb 0.13 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.17 1x0o h LEU 40 CO 0.01 0.87 1.20 0.18 -0.34 0.00 0.00 178.44 180.36 1x0o n LEU 41 N -3.21 3.95 0.00 2.25 4.77 -0.30 -1.08 117.00 123.38 1x0o n LEU 41 Ca -0.05 0.91 0.00 0.00 -0.03 0.00 0.00 56.01 56.84 1x0o n LEU 41 Cb 0.92 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 1x0o n LEU 41 CO 0.45 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1x0o n GLY 42 N 4.55 0.99 3.89 -0.72 0.00 -0.39 -5.00 105.19 108.50 1x0o n GLY 42 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.86 3.18 0.11 1.61 -0.14 -0.24 -4.87 119.74 118.54 1x0o s LYS 43 Ca 0.00 -0.82 -0.12 0.00 -1.36 0.00 0.00 55.97 53.66 1x0o s LYS 43 Cb 0.00 -2.77 -0.06 0.00 -1.68 0.00 0.00 37.83 33.32 1x0o s LYS 43 CO 0.00 0.46 0.48 1.21 -0.76 0.00 0.00 175.35 176.73 1x0o s ASN 44 N -3.57 6.74 0.53 2.83 3.84 -1.26 -1.82 114.94 122.23 1x0o s ASN 44 Ca 0.33 0.94 0.26 0.00 0.21 0.00 0.00 52.86 54.60 1x0o s ASN 44 Cb -0.09 -2.23 1.50 0.00 -0.55 0.00 0.00 41.25 39.87 1x0o s ASN 44 CO 0.27 0.14 2.12 -0.29 -2.79 0.00 0.00 177.10 176.55 1x0o h ILE 45 N 2.86 0.65 0.00 -5.21 2.10 -1.76 -1.29 117.51 114.85 1x0o h ILE 45 Ca -0.49 -0.36 -0.05 0.00 1.08 0.00 0.00 64.86 65.05 1x0o h ILE 45 Cb 1.19 1.22 -0.01 0.00 -1.09 0.00 0.00 36.82 38.14 1x0o h ILE 45 CO 0.66 0.08 -0.23 1.62 -1.08 0.00 0.00 178.15 179.21 1x0o h VAL 46 N 0.00 0.47 -0.49 2.19 3.04 -1.92 -1.56 116.25 117.99 1x0o h VAL 46 Ca -0.00 -1.27 -0.05 0.00 -1.01 0.00 0.00 66.70 64.37 1x0o h VAL 46 Cb 0.21 1.91 -0.02 0.00 -2.01 0.00 0.00 31.29 31.39 1x0o h VAL 46 CO 0.01 0.22 0.11 -0.33 -1.01 0.00 0.00 177.57 176.57 1x0o h GLU 47 N 0.00 0.75 -0.27 4.17 4.39 -1.63 -2.71 114.58 119.28 1x0o h GLU 47 Ca -0.00 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1x0o h GLU 47 Cb 0.90 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1x0o h GLU 47 CO 0.03 0.69 0.00 1.19 -1.16 0.00 0.00 179.01 179.76 1x0o n PHE 48 N -4.29 0.86 -3.24 4.33 3.72 -1.11 -4.98 117.46 112.75 1x0o n PHE 48 Ca 0.03 -0.81 -0.39 0.00 -0.05 0.00 0.00 57.45 56.24 1x0o n PHE 48 Cb 0.22 -0.26 -0.06 0.00 -0.94 0.00 0.00 39.48 38.44 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 2.10 1.91 -0.09 0.00 -0.00 -0.13 -4.78 115.22 114.23 1x0o n HIS 50 Ca -0.09 0.52 0.26 0.00 0.46 0.00 0.00 57.72 58.87 1x0o n HIS 50 Cb 0.51 -2.44 0.70 0.00 -0.12 0.00 0.00 29.99 28.64 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 6.47 0.00 -0.00 1.57 0.13 -1.93 0.55 132.00 138.78 1x0o h PRO 51 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1x0o h PRO 51 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1x0o h PRO 51 CO 0.90 0.00 -0.27 0.39 -0.23 0.00 0.00 178.00 178.79 1x0o n GLU 52 N -3.83 0.56 0.00 0.86 -0.58 -1.26 -3.73 120.64 112.66 1x0o n GLU 52 Ca 0.15 -0.29 0.03 0.00 -0.42 0.00 0.00 57.16 56.64 1x0o n GLU 52 Cb 0.95 -1.49 0.02 0.00 -0.57 0.00 0.00 31.44 30.35 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 -0.97 1.40 -0.18 1.62 8.00 0.19 -4.59 116.55 122.02 1x0o n ASP 53 Ca 0.11 -1.20 -0.08 0.00 0.71 0.00 0.00 54.79 54.33 1x0o n ASP 53 Cb 0.33 0.14 0.07 0.00 -0.02 0.00 0.00 41.12 41.63 1x0o n ASP 53 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1x0o h GLN 54 N 1.17 0.99 -0.07 -1.24 4.20 -1.52 0.16 115.11 118.80 1x0o h GLN 54 Ca 0.00 -0.30 -0.17 0.00 0.06 0.00 0.00 58.65 58.24 1x0o h GLN 54 Cb 0.27 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1x0o h GLN 54 CO 0.00 0.98 -0.68 0.37 -0.67 0.00 0.00 178.83 178.82 1x0o h GLN 55 N 0.91 0.31 -0.83 1.46 -0.00 -1.82 -2.46 115.11 112.68 1x0o h GLN 55 Ca 0.17 -0.24 0.01 0.00 -0.00 0.00 0.00 58.65 58.58 1x0o h GLN 55 Cb 0.53 0.05 -0.04 0.00 0.00 0.00 0.00 27.48 28.02 1x0o h GLN 55 CO 0.03 0.88 0.55 1.25 0.00 0.00 0.00 178.83 181.53 1x0o h LEU 56 N 0.22 0.96 -0.73 -2.39 5.85 -1.57 -1.20 115.31 116.43 1x0o h LEU 56 Ca -0.02 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 1x0o h LEU 56 Cb 1.23 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 1x0o h LEU 56 CO 0.11 0.70 0.23 -0.07 -0.34 0.00 0.00 178.44 179.07 1x0o h LEU 57 N 1.13 1.07 0.10 2.25 3.38 -0.63 -1.84 115.31 120.77 1x0o h LEU 57 Ca 0.30 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1x0o h LEU 57 Cb -0.12 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.30 1x0o h LEU 57 CO -0.07 1.00 -0.46 0.03 0.09 0.00 0.00 178.44 179.03 1x0o h ARG 58 N 1.09 -0.63 -0.91 1.13 3.08 -0.82 0.18 114.38 117.49 1x0o h ARG 58 Ca 0.24 0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.37 1x0o h ARG 58 Cb 0.31 0.14 -0.06 0.00 0.08 0.00 0.00 29.97 30.45 1x0o h ARG 58 CO -0.01 -0.42 0.58 0.22 -1.07 0.00 0.00 179.97 179.28 1x0o h ASP 59 N -0.65 0.96 0.22 7.04 3.58 -1.18 -0.75 116.42 125.63 1x0o h ASP 59 Ca -0.01 -0.00 -0.24 0.00 0.42 0.00 0.00 57.03 57.20 1x0o h ASP 59 Cb 0.66 -0.21 0.01 0.00 1.72 0.00 0.00 39.33 41.51 1x0o h ASP 59 CO -0.25 0.65 -0.97 0.28 -2.88 0.00 0.00 179.24 176.07 1x0o h SER 60 N 1.12 0.66 0.07 2.28 0.02 -1.11 -2.29 113.55 114.29 1x0o h SER 60 Ca 0.37 -0.53 -0.18 0.00 -0.84 0.00 0.00 61.79 60.62 1x0o h SER 60 Cb 0.05 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.38 1x0o h SER 60 CO -0.13 1.33 -0.64 -0.26 -1.14 0.00 0.00 176.83 175.98 1x0o h PHE 61 N 0.29 0.71 0.00 3.45 0.04 -0.28 -2.40 116.94 118.76 1x0o h PHE 61 Ca -0.09 -0.28 -0.09 0.00 2.80 0.00 0.00 57.97 60.30 1x0o h PHE 61 Cb 1.61 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 39.62 1x0o h PHE 61 CO 0.07 1.04 -0.44 -0.56 -0.60 0.00 0.00 178.31 177.82 1x0o h GLN 62 N 0.40 0.00 -0.11 1.51 3.07 -1.16 -2.53 115.11 116.29 1x0o h GLN 62 Ca -0.01 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.59 1x0o h GLN 62 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.76 1x0o h GLN 62 CO 0.12 0.44 -0.54 1.96 0.09 0.00 0.00 178.83 180.90 1x0o h GLN 63 N 0.00 0.32 0.00 0.06 4.20 -1.09 -0.32 115.11 118.28 1x0o h GLN 63 Ca -0.00 -0.20 -0.08 0.00 0.06 0.00 0.00 58.65 58.43 1x0o h GLN 63 Cb 0.89 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 1x0o h GLN 63 CO 0.06 0.78 -0.38 -0.24 -0.67 0.00 0.00 178.83 178.38 1x0o h VAL 64 N 0.25 0.82 0.00 -0.54 3.04 -1.21 0.36 116.25 118.96 1x0o h VAL 64 Ca 0.00 -1.61 -0.10 0.00 -1.01 0.00 0.00 66.70 63.98 1x0o h VAL 64 Cb 1.03 2.02 -0.01 0.00 -2.01 0.00 0.00 31.29 32.31 1x0o h VAL 64 CO 0.09 0.37 -0.48 0.58 -1.01 0.00 0.00 177.57 177.12 1x0o h VAL 65 N 0.00 1.15 0.11 1.51 2.07 -1.06 0.26 116.25 120.30 1x0o h VAL 65 Ca -0.00 -1.77 -0.29 0.00 0.82 0.00 0.00 66.70 65.46 1x0o h VAL 65 Cb 0.99 2.01 0.02 0.00 -1.52 0.00 0.00 31.29 32.78 1x0o h VAL 65 CO 0.05 0.47 -1.22 0.11 0.02 0.00 0.00 177.57 177.00 1x0o h LYS 66 N 0.00 0.52 0.11 1.57 1.57 -0.17 -3.36 116.57 116.80 1x0o h LYS 66 Ca -0.00 -0.71 -0.01 0.00 -1.87 0.00 0.00 60.65 58.06 1x0o h LYS 66 Cb 0.97 0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1x0o h LYS 66 CO 0.06 1.31 -0.05 -0.07 -0.57 0.00 0.00 179.45 180.13 1x0o h LEU 67 N 0.22 -0.12 -2.16 2.94 3.38 -0.24 -3.50 115.31 115.83 1x0o h LEU 67 Ca -0.17 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1x0o h LEU 67 Cb 1.89 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.67 1x0o h LEU 67 CO 0.22 0.47 -0.98 0.29 0.09 0.00 0.00 178.44 178.52 1x0o n LYS 68 N -4.87 -3.48 0.00 1.13 5.02 0.07 -4.47 118.16 111.56 1x0o n LYS 68 Ca -0.08 2.78 0.00 0.00 -2.02 0.00 0.00 58.31 58.99 1x0o n LYS 68 Cb 0.28 -5.33 0.00 0.00 -0.02 0.00 0.00 35.03 29.96 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 0.70 2.54 3.85 0.72 0.00 -1.26 -5.00 105.19 106.74 1x0o n GLY 69 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.35 3.84 -0.09 1.61 2.00 -1.26 -4.93 119.66 120.47 1x0o s GLN 70 Ca 0.00 0.32 -0.30 0.00 -2.00 0.00 0.00 55.36 53.38 1x0o s GLN 70 Cb 0.00 -3.18 -0.02 0.00 0.80 0.00 0.00 33.01 30.61 1x0o s GLN 70 CO 0.00 0.68 1.13 0.54 -0.50 0.00 0.00 175.29 177.14 1x0o s VAL 71 N -1.13 4.46 -0.24 1.34 0.11 -1.26 -4.61 120.40 119.06 1x0o s VAL 71 Ca 0.24 1.76 -0.05 0.00 -2.93 0.00 0.00 61.98 61.00 1x0o s VAL 71 Cb -0.16 -4.13 -0.01 0.00 -1.53 0.00 0.00 36.38 30.55 1x0o s VAL 71 CO 0.13 -0.02 0.01 -0.22 -3.33 0.00 0.00 175.10 171.67 1x0o s LEU 72 N 2.31 3.23 -0.26 2.54 1.98 -0.28 -4.87 118.68 123.33 1x0o s LEU 72 Ca 0.52 -0.41 -0.15 0.00 -2.89 0.00 0.00 54.13 51.21 1x0o s LEU 72 Cb -0.22 -1.82 -0.04 0.00 0.66 0.00 0.00 46.19 44.78 1x0o s LEU 72 CO 0.19 -0.06 0.37 -0.94 -1.89 0.00 0.00 176.35 174.02 1x0o s SER 73 N 1.52 6.27 -0.07 3.68 1.04 -1.26 -0.09 113.70 124.79 1x0o s SER 73 Ca 0.05 0.31 0.04 0.00 0.48 0.00 0.00 55.95 56.83 1x0o s SER 73 Cb -0.15 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 63.76 1x0o s SER 73 CO -0.00 -0.16 -0.19 0.54 0.98 0.00 0.00 173.24 174.41 1x0o s VAL 74 N 1.93 1.61 -0.23 5.02 0.11 -0.51 -4.95 120.40 123.38 1x0o s VAL 74 Ca 0.15 -0.78 -0.06 0.00 -2.93 0.00 0.00 61.98 58.36 1x0o s VAL 74 Cb -0.16 -1.41 -0.02 0.00 -1.53 0.00 0.00 36.38 33.26 1x0o s VAL 74 CO 0.09 0.46 0.03 -0.32 -3.33 0.00 0.00 175.10 172.04 1x0o s MET 75 N 0.34 3.58 0.35 1.54 1.75 -1.26 -0.04 119.30 125.55 1x0o s MET 75 Ca -0.13 -0.52 -0.03 0.00 -1.25 0.00 0.00 55.69 53.76 1x0o s MET 75 Cb -0.15 -3.21 0.01 0.00 2.84 0.00 0.00 34.83 34.31 1x0o s MET 75 CO 0.05 -0.16 0.49 -0.59 -0.65 0.00 0.00 175.02 174.16 1x0o s PHE 76 N 1.49 1.02 -0.21 4.11 -0.71 -0.68 -5.00 117.98 117.98 1x0o s PHE 76 Ca 0.06 -1.27 -0.04 0.00 -1.04 0.00 0.00 56.93 54.64 1x0o s PHE 76 Cb -0.15 -0.04 -0.01 0.00 -1.21 0.00 0.00 43.02 41.62 1x0o s PHE 76 CO 0.02 -1.16 -0.04 1.03 -1.34 0.00 0.00 175.22 173.72 1x0o s ARG 77 N -3.02 3.40 0.29 1.99 0.52 -1.26 -1.61 118.95 119.27 1x0o s ARG 77 Ca 0.30 -0.62 -0.16 0.00 -0.52 0.00 0.00 55.73 54.73 1x0o s ARG 77 Cb -0.01 -3.00 -0.09 0.00 0.52 0.00 0.00 34.95 32.38 1x0o s ARG 77 CO 0.20 -0.16 0.72 0.12 0.02 0.00 0.00 175.30 176.19 1x0o s PHE 78 N 1.39 3.45 -0.48 -0.53 2.19 -0.82 -0.96 117.98 122.21 1x0o s PHE 78 Ca 0.05 1.23 -0.26 0.00 0.33 0.00 0.00 56.93 58.29 1x0o s PHE 78 Cb -0.14 -2.53 0.03 0.00 -1.31 0.00 0.00 43.02 39.06 1x0o s PHE 78 CO -0.02 0.17 0.95 0.50 1.83 0.00 0.00 175.22 178.65 1x0o s ARG 79 N -2.71 3.51 1.08 10.12 3.52 0.11 -2.47 118.95 132.12 1x0o s ARG 79 Ca 0.51 0.13 -0.14 0.00 -0.13 0.00 0.00 55.73 56.10 1x0o s ARG 79 Cb -0.12 -3.95 0.19 0.00 -1.56 0.00 0.00 34.95 29.51 1x0o s ARG 79 CO 0.18 -1.29 0.72 0.45 -0.81 0.00 0.00 175.30 174.56 1x0o n SER 80 N 7.29 -1.52 0.00 -2.12 2.88 0.82 -4.74 113.62 116.23 1x0o n SER 80 Ca 0.06 0.03 0.04 0.00 -1.33 0.00 0.00 58.87 57.67 1x0o n SER 80 Cb 0.48 -1.23 0.18 0.00 -0.75 0.00 0.00 64.21 62.90 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 -3.72 0.04 -0.19 -1.46 3.00 -0.49 -0.18 118.16 115.17 1x0o n LYS 81 Ca 0.05 0.31 0.10 0.00 -0.00 0.00 0.00 58.31 58.77 1x0o n LYS 81 Cb 0.55 -1.50 0.20 0.00 0.00 0.00 0.00 35.03 34.28 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 -1.42 3.28 -2.23 3.14 3.02 -1.26 -4.93 115.26 114.85 1x0o n ASN 82 Ca 0.03 -1.94 -0.08 0.00 -0.03 0.00 0.00 54.58 52.56 1x0o n ASN 82 Cb 0.08 -0.25 0.04 0.00 -0.61 0.00 0.00 39.78 39.04 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 1.26 -2.75 -4.47 3.52 3.00 0.75 -5.04 117.38 113.65 1x0o n GLN 83 Ca 0.17 0.42 -0.23 0.00 -0.01 0.00 0.00 57.00 57.35 1x0o n GLN 83 Cb 0.54 -4.03 -0.10 0.00 0.00 0.00 0.00 30.24 26.65 1x0o n GLN 83 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 1x0o s GLU 84 N -4.44 1.65 -0.46 -1.09 -6.30 -1.23 -4.86 118.70 101.97 1x0o s GLU 84 Ca 0.05 -1.79 0.03 0.00 -2.50 0.00 0.00 54.97 50.77 1x0o s GLU 84 Cb -0.01 -1.60 0.12 0.00 0.00 0.00 0.00 34.13 32.65 1x0o s GLU 84 CO 0.36 0.23 0.21 -1.58 0.02 0.00 0.00 175.26 174.51 1x0o s TRP 85 N -2.65 2.94 0.23 5.30 0.52 -1.26 -0.13 118.94 123.90 1x0o s TRP 85 Ca 0.29 -2.92 0.06 0.00 0.02 0.00 0.00 56.10 53.56 1x0o s TRP 85 Cb -0.02 -2.58 -0.03 0.00 -1.15 0.00 0.00 33.47 29.69 1x0o s TRP 85 CO 0.14 -0.79 0.27 -0.48 0.02 0.00 0.00 176.95 176.11 1x0o s LEU 86 N 0.13 4.08 -0.04 2.99 0.05 -1.03 -4.79 118.68 120.07 1x0o s LEU 86 Ca 0.16 -0.07 -0.25 0.00 0.05 0.00 0.00 54.13 54.02 1x0o s LEU 86 Cb -0.24 -2.62 -0.04 0.00 -2.05 0.00 0.00 46.19 41.24 1x0o s LEU 86 CO -0.02 -0.04 0.76 0.26 -0.55 0.00 0.00 176.35 176.75 1x0o s TRP 87 N -2.01 3.61 -0.07 3.48 0.52 -1.25 -1.95 118.94 121.27 1x0o s TRP 87 Ca 0.33 1.35 -0.07 0.00 0.02 0.00 0.00 56.10 57.74 1x0o s TRP 87 Cb -0.09 -2.86 0.02 0.00 -1.15 0.00 0.00 33.47 29.39 1x0o s TRP 87 CO 0.27 0.09 0.19 0.00 0.02 0.00 0.00 176.95 177.52 1x0o s MET 88 N 0.77 0.23 -0.29 4.98 0.23 -0.63 -0.10 119.30 124.49 1x0o s MET 88 Ca 0.40 0.25 -0.11 0.00 -1.03 0.00 0.00 55.69 55.21 1x0o s MET 88 Cb -0.19 0.11 -0.04 0.00 -1.53 0.00 0.00 34.83 33.19 1x0o s MET 88 CO 0.20 -0.03 0.19 0.50 -2.03 0.00 0.00 175.02 173.85 1x0o s ARG 89 N 0.06 3.78 -0.14 3.16 3.00 -0.81 -1.69 118.95 126.31 1x0o s ARG 89 Ca -0.00 -0.43 -0.13 0.00 -1.00 0.00 0.00 55.73 54.16 1x0o s ARG 89 Cb -0.01 -3.65 -0.05 0.00 0.00 0.00 0.00 34.95 31.24 1x0o s ARG 89 CO 0.00 -0.25 0.28 0.99 0.00 0.00 0.00 175.30 176.32 1x0o s THR 90 N 1.73 5.30 -0.35 4.11 2.01 0.94 -2.52 115.64 126.86 1x0o s THR 90 Ca 0.07 0.53 -0.21 0.00 0.31 0.00 0.00 61.69 62.39 1x0o s THR 90 Cb -0.16 -3.61 0.00 0.00 0.01 0.00 0.00 72.50 68.74 1x0o s THR 90 CO 0.10 0.43 0.66 -0.44 -0.69 0.00 0.00 174.62 174.68 1x0o s SER 91 N 0.17 6.46 -0.14 3.53 0.01 0.10 -1.42 113.70 122.40 1x0o s SER 91 Ca 0.17 0.22 -0.14 0.00 1.31 0.00 0.00 55.95 57.51 1x0o s SER 91 Cb -0.13 -2.34 -0.05 0.00 0.21 0.00 0.00 66.02 63.71 1x0o s SER 91 CO 0.05 -0.59 0.31 -0.44 0.41 0.00 0.00 173.24 172.97 1x0o s SER 92 N 1.77 6.48 -0.02 2.44 0.01 0.87 -2.27 113.70 122.99 1x0o s SER 92 Ca 0.25 0.57 0.01 0.00 1.31 0.00 0.00 55.95 58.09 1x0o s SER 92 Cb -0.14 -2.19 0.01 0.00 0.21 0.00 0.00 66.02 63.91 1x0o s SER 92 CO 0.15 0.12 -0.01 0.12 0.41 0.00 0.00 173.24 174.03 1x0o s PHE 93 N 0.28 0.28 -0.39 2.43 5.36 -0.22 -1.13 117.98 124.60 1x0o s PHE 93 Ca 0.18 -0.02 -0.17 0.00 -0.96 0.00 0.00 56.93 55.95 1x0o s PHE 93 Cb -0.13 -0.30 0.01 0.00 -0.34 0.00 0.00 43.02 42.26 1x0o s PHE 93 CO 0.05 -0.07 0.46 0.95 -1.46 0.00 0.00 175.22 175.15 1x0o s THR 94 N 0.52 5.06 -0.88 0.12 -4.23 -1.26 0.15 115.64 115.12 1x0o s THR 94 Ca -0.05 -0.06 -0.25 0.00 -1.18 0.00 0.00 61.69 60.14 1x0o s THR 94 Cb -0.08 -3.99 0.04 0.00 1.34 0.00 0.00 72.50 69.80 1x0o s THR 94 CO -0.01 -0.33 1.37 0.12 -0.54 0.00 0.00 174.62 175.23 1x0o s PHE 95 N 2.24 2.40 -0.19 3.99 5.36 -0.58 -4.15 117.98 127.04 1x0o s PHE 95 Ca 0.15 -0.43 -0.21 0.00 -0.96 0.00 0.00 56.93 55.48 1x0o s PHE 95 Cb -0.16 -4.66 -0.03 0.00 -0.34 0.00 0.00 43.02 37.83 1x0o s PHE 95 CO 0.14 -2.01 0.62 -0.65 -1.46 0.00 0.00 175.22 171.85 1x0o s GLN 96 N 5.38 4.23 -0.18 10.12 -0.21 -1.26 -1.69 119.66 136.06 1x0o s GLN 96 Ca 0.41 0.61 -0.38 0.00 0.02 0.00 0.00 55.36 56.01 1x0o s GLN 96 Cb -0.04 -3.56 -0.15 0.00 1.00 0.00 0.00 33.01 30.26 1x0o s GLN 96 CO 0.03 -0.20 1.73 -1.71 -2.12 0.00 0.00 175.29 173.02 1x0o n ASN 97 N 4.89 2.58 0.31 5.90 2.85 0.92 -4.76 115.26 127.94 1x0o n ASN 97 Ca -0.02 1.06 0.19 0.00 -0.11 0.00 0.00 54.58 55.69 1x0o n ASN 97 Cb 0.50 -1.21 1.00 0.00 1.24 0.00 0.00 39.78 41.31 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 7.34 0.00 0.00 1.20 0.13 -1.95 0.60 132.00 139.31 1x0o h PRO 98 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1x0o h PRO 98 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1x0o h PRO 98 CO 0.94 0.00 -0.05 0.66 -0.23 0.00 0.00 178.00 179.31 1x0o n TYR 99 N -2.87 0.00 -0.19 1.56 4.01 -1.26 -4.65 117.16 113.75 1x0o n TYR 99 Ca -0.02 -0.87 0.00 0.00 -0.16 0.00 0.00 57.90 56.85 1x0o n TYR 99 Cb 0.15 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 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 -1.24 0.00 -2.03 7.72 7.64 -0.58 -5.03 113.62 120.09 1x0o n SER 100 Ca 0.14 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.84 1x0o n SER 100 Cb 0.63 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.79 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 -4.96 -4.70 6.43 8.00 0.20 -4.92 116.55 116.60 1x0o n ASP 101 Ca 0.00 0.22 -0.24 0.00 0.71 0.00 0.00 54.79 55.48 1x0o n ASP 101 Cb 0.00 -4.28 -0.07 0.00 -0.02 0.00 0.00 41.12 36.75 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 -4.39 2.48 -0.20 -1.24 -1.05 -1.26 -4.82 118.70 108.22 1x0o s GLU 102 Ca 0.00 -1.24 -0.17 0.00 -0.15 0.00 0.00 54.97 53.41 1x0o s GLU 102 Cb 0.00 -2.32 -0.04 0.00 -0.44 0.00 0.00 34.13 31.34 1x0o s GLU 102 CO 0.00 0.40 0.43 0.42 0.95 0.00 0.00 175.26 177.46 1x0o s ILE 103 N -2.11 5.17 -0.08 1.83 1.01 -1.26 -0.06 121.20 125.70 1x0o s ILE 103 Ca 0.31 0.78 -0.07 0.00 0.00 0.00 0.00 60.65 61.66 1x0o s ILE 103 Cb -0.08 -3.76 -0.28 0.00 0.01 0.00 0.00 42.46 38.35 1x0o s ILE 103 CO 0.21 0.22 0.53 1.05 0.00 0.00 0.00 174.94 176.95 1x0o h GLU 104 N 7.44 0.30 0.00 2.79 4.11 -1.71 -3.49 114.58 124.01 1x0o h GLU 104 Ca -0.35 -0.51 0.07 0.00 0.07 0.00 0.00 59.36 58.63 1x0o h GLU 104 Cb 1.16 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 1x0o h GLU 104 CO 0.72 1.21 0.19 2.48 0.07 0.00 0.00 179.01 183.67 1x0o n TYR 105 N -3.50 -0.41 -4.14 2.06 0.18 -1.26 -4.79 117.16 105.31 1x0o n TYR 105 Ca -0.27 -0.21 -0.31 0.00 1.88 0.00 0.00 57.90 58.99 1x0o n TYR 105 Cb 1.06 0.10 -0.08 0.00 -0.38 0.00 0.00 39.34 40.04 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 -2.24 4.20 -0.11 -3.48 1.01 0.93 -1.53 121.20 119.98 1x0o s ILE 106 Ca 0.06 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 59.89 1x0o s ILE 106 Cb -0.00 -2.98 -0.02 0.00 0.01 0.00 0.00 42.46 39.47 1x0o s ILE 106 CO 0.00 0.18 -0.13 -0.63 0.00 0.00 0.00 174.94 174.37 1x0o s ILE 107 N -1.28 3.10 -0.06 2.92 1.01 0.12 -0.75 121.20 126.26 1x0o s ILE 107 Ca 0.25 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 60.22 1x0o s ILE 107 Cb -0.12 -2.28 0.03 0.00 0.01 0.00 0.00 42.46 40.10 1x0o s ILE 107 CO 0.17 0.54 0.03 0.00 0.00 0.00 0.00 174.94 175.69 1x0o s THR 109 N 2.05 5.18 -0.25 0.00 2.01 -0.96 -0.94 115.64 122.73 1x0o s THR 109 Ca 0.05 0.71 0.02 0.00 0.31 0.00 0.00 61.69 62.77 1x0o s THR 109 Cb -0.12 -3.67 0.06 0.00 0.01 0.00 0.00 72.50 68.78 1x0o s THR 109 CO -0.04 0.50 -0.10 0.20 -0.69 0.00 0.00 174.62 174.49 1x0o s ASN 110 N -0.47 4.18 -0.23 3.53 -0.87 -0.32 -0.72 114.94 120.05 1x0o s ASN 110 Ca 0.21 -1.28 -0.07 0.00 -1.57 0.00 0.00 52.86 50.15 1x0o s ASN 110 Cb -0.15 -1.42 -0.03 0.00 -0.02 0.00 0.00 41.25 39.63 1x0o s ASN 110 CO 0.09 -0.20 0.06 -0.89 -2.57 0.00 0.00 177.10 173.60 1x0o s THR 111 N 1.21 4.42 -0.17 1.60 2.01 -1.05 -2.20 115.64 121.46 1x0o s THR 111 Ca -0.07 -0.15 -0.29 0.00 0.31 0.00 0.00 61.69 61.49 1x0o s THR 111 Cb -0.19 -3.04 -0.01 0.00 0.01 0.00 0.00 72.50 69.27 1x0o s THR 111 CO -0.06 0.37 1.18 0.21 -0.69 0.00 0.00 174.62 175.63 1x0o s ASN 112 N 1.25 7.02 0.00 3.53 3.04 -1.18 -1.93 114.94 126.67 1x0o s ASN 112 Ca 0.05 1.61 0.00 0.00 0.04 0.00 0.00 52.86 54.56 1x0o s ASN 112 Cb -0.14 -2.54 0.00 0.00 -1.54 0.00 0.00 41.25 37.02 1x0o s ASN 112 CO 0.03 -0.69 0.00 0.52 -3.04 0.00 0.00 177.10 173.92 1x0o n VAL 113 N 5.21 0.00 -4.27 -5.21 0.31 0.86 -4.97 118.33 110.26 1x0o n VAL 113 Ca 0.13 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.30 1x0o n VAL 113 Cb 0.46 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.29 1x0o n VAL 113 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1x0o s LYS 114 N 0.72 1.45 -0.11 5.55 1.02 -1.26 -4.97 119.74 122.14 1x0o s LYS 114 Ca 0.00 -1.80 -0.08 0.00 0.02 0.00 0.00 55.97 54.11 1x0o s LYS 114 Cb 0.00 0.10 0.03 0.00 -0.52 0.00 0.00 37.83 37.44 1x0o s LYS 114 CO 0.00 -0.44 0.16 -1.71 -0.92 0.00 0.00 175.35 172.43 1x0o n ASN 115 N -0.73 -2.72 0.00 2.83 2.85 -1.26 -3.92 115.26 112.31 1x0o n ASN 115 Ca 0.02 1.28 0.00 0.00 -0.11 0.00 0.00 54.58 55.77 1x0o n ASN 115 Cb 0.65 -4.65 0.00 0.00 1.24 0.00 0.00 39.78 37.02 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 1.49 0.00 -0.68 1.20 3.41 -1.26 -4.28 113.62 113.50 1x0o n SER 116 Ca -0.27 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.31 1x0o n SER 116 Cb 0.41 0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 64.67 1x0o n SER 116 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x0o n SER 117 N -2.07 -0.46 0.07 4.04 2.88 -1.26 -4.97 113.62 111.85 1x0o n SER 117 Ca 0.00 -1.05 -0.09 0.00 -1.33 0.00 0.00 58.87 56.40 1x0o n SER 117 Cb 0.00 0.14 -0.12 0.00 -0.75 0.00 0.00 64.21 63.47 1x0o n SER 117 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1x0o h GLN 118 N 0.00 0.06 -0.01 -1.46 1.08 -2.00 -3.54 115.11 109.24 1x0o h GLN 118 Ca -0.26 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 56.83 1x0o h GLN 118 Cb 0.94 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.41 1x0o h GLN 118 CO -0.13 1.04 0.00 0.39 -0.95 0.00 0.00 178.83 179.18