#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x2o s LEU 2 N 0.00 4.47 -0.22 -0.89 2.96 -1.26 -4.35 118.68 119.39 2x2o s LEU 2 Ca 0.00 1.93 -0.06 0.00 -0.22 0.00 0.00 54.13 55.78 2x2o s LEU 2 Cb 0.00 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.07 2x2o s LEU 2 CO 0.00 -0.19 0.03 -0.69 -1.32 0.00 0.00 176.35 174.18 2x2o s VAL 3 N 0.10 4.13 -0.08 1.68 1.01 -0.36 -1.34 120.40 125.53 2x2o s VAL 3 Ca 0.50 -0.24 -0.04 0.00 0.00 0.00 0.00 61.98 62.19 2x2o s VAL 3 Cb -0.26 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 2x2o s VAL 3 CO 0.32 0.39 0.12 0.00 0.00 0.00 0.00 175.10 175.92 2x2o s ALA 4 N 1.29 3.75 0.14 5.51 0.00 -0.03 -0.84 121.76 131.58 2x2o s ALA 4 Ca 0.04 -0.72 -0.08 0.00 0.00 0.00 0.00 51.96 51.20 2x2o s ALA 4 Cb -0.15 -1.82 -0.01 0.00 0.00 0.00 0.00 23.12 21.15 2x2o s ALA 4 CO 0.02 0.65 0.23 1.52 0.00 0.00 0.00 175.76 178.18 2x2o s TYR 5 N -1.09 0.37 0.04 0.00 1.13 -0.54 -0.81 117.35 116.45 2x2o s TYR 5 Ca 0.18 -0.76 0.00 0.00 -1.41 0.00 0.00 57.07 55.08 2x2o s TYR 5 Cb -0.12 -0.11 -0.03 0.00 -1.10 0.00 0.00 41.96 40.60 2x2o s TYR 5 CO 0.08 -0.64 -0.04 0.34 -2.51 0.00 0.00 175.55 172.78 2x2o s ASP 6 N -2.94 0.53 -0.23 -0.18 2.15 -1.05 -1.06 116.67 113.90 2x2o s ASP 6 Ca 0.14 -0.72 -0.11 0.00 0.43 0.00 0.00 52.55 52.29 2x2o s ASP 6 Cb 0.04 0.12 0.08 0.00 -0.30 0.00 0.00 42.92 42.86 2x2o s ASP 6 CO -0.03 -0.39 0.54 -0.55 -0.17 0.00 0.00 175.17 174.56 2x2o s SER 7 N -2.10 -0.71 -0.21 -0.34 0.15 -1.26 -4.25 113.70 104.97 2x2o s SER 7 Ca -0.05 1.21 -0.09 0.00 0.70 0.00 0.00 55.95 57.72 2x2o s SER 7 Cb -0.03 1.24 -0.19 0.00 -1.71 0.00 0.00 66.02 65.33 2x2o s SER 7 CO -0.04 -0.22 0.01 0.80 1.20 0.00 0.00 173.24 174.99 2x2o n MET 8 N 4.56 0.65 -0.16 5.44 1.56 -1.26 -4.58 117.12 123.33 2x2o n MET 8 Ca -0.19 0.30 0.05 0.00 -0.27 0.00 0.00 57.70 57.59 2x2o n MET 8 Cb 0.55 -1.62 0.13 0.00 2.15 0.00 0.00 33.22 34.43 2x2o n MET 8 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 2x2o n THR 9 N -3.80 1.13 -0.10 1.12 -2.24 -1.26 -5.00 114.28 104.13 2x2o n THR 9 Ca -0.41 -1.11 0.00 0.00 -2.27 0.00 0.00 64.05 60.26 2x2o n THR 9 Cb 0.92 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 2x2o n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x2o n GLY 10 N 0.15 0.56 0.10 3.38 0.00 -1.26 -4.98 105.19 103.14 2x2o n GLY 10 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 2x2o n GLY 10 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2x2o h ASN 11 N 0.00 0.22 -0.82 1.61 2.35 -1.94 -0.61 115.58 116.39 2x2o h ASN 11 Ca 0.00 -0.45 -0.03 0.00 -0.55 0.00 0.00 56.30 55.27 2x2o h ASN 11 Cb 0.00 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.27 2x2o h ASN 11 CO 0.00 0.63 0.41 0.58 -1.65 0.00 0.00 177.43 177.40 2x2o h VAL 12 N -0.19 1.25 -0.76 2.81 2.07 -1.86 -1.50 116.25 118.08 2x2o h VAL 12 Ca 0.02 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 2x2o h VAL 12 Cb 0.56 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 2x2o h VAL 12 CO 0.02 0.30 0.42 0.50 0.02 0.00 0.00 177.57 178.83 2x2o h LYS 13 N 1.18 1.06 -0.35 1.57 3.64 -1.81 0.05 116.57 121.90 2x2o h LYS 13 Ca 0.29 -0.12 0.02 0.00 -1.27 0.00 0.00 60.65 59.57 2x2o h LYS 13 Cb 0.09 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 2x2o h LYS 13 CO -0.04 0.78 0.18 0.00 -2.27 0.00 0.00 179.45 178.10 2x2o h ARG 14 N 1.05 0.36 -0.33 1.90 3.08 -0.75 -2.46 114.38 117.24 2x2o h ARG 14 Ca 0.27 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.34 2x2o h ARG 14 Cb 0.03 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 2x2o h ARG 14 CO -0.04 0.24 0.07 0.35 -1.07 0.00 0.00 179.97 179.52 2x2o h PHE 15 N 0.37 0.12 -1.00 3.04 3.57 -0.50 -2.60 116.94 119.94 2x2o h PHE 15 Ca 0.15 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.73 2x2o h PHE 15 Cb 0.05 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.71 2x2o h PHE 15 CO -0.09 0.03 0.65 0.82 -2.23 0.00 0.00 178.31 177.48 2x2o h ILE 16 N 0.19 1.09 0.00 1.41 1.08 -0.80 -0.85 117.51 119.63 2x2o h ILE 16 Ca 0.15 -0.40 -0.06 0.00 -0.39 0.00 0.00 64.86 64.16 2x2o h ILE 16 Cb 0.16 -0.19 -0.01 0.00 -3.07 0.00 0.00 36.82 33.71 2x2o h ILE 16 CO -0.19 0.22 -0.29 0.45 -0.69 0.00 0.00 178.15 177.64 2x2o h HIS 17 N 1.18 0.00 0.00 1.37 3.86 -1.07 -2.27 115.15 118.22 2x2o h HIS 17 Ca 0.43 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.64 2x2o h HIS 17 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 2x2o h HIS 17 CO -0.00 0.29 0.00 0.87 0.86 0.00 0.00 177.93 179.95 2x2o h LYS 18 N 0.00 0.00 -0.01 2.45 1.57 -0.88 -3.17 116.57 116.53 2x2o h LYS 18 Ca -0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.61 2x2o h LYS 18 Cb 0.66 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 2x2o h LYS 18 CO 0.04 0.00 -0.74 -0.07 -0.57 0.00 0.00 179.45 178.10 2x2o h LEU 19 N 0.00 0.11 2.25 2.94 3.38 -1.31 -3.47 115.31 119.20 2x2o h LEU 19 Ca 0.00 -0.08 -0.39 0.00 0.09 0.00 0.00 57.88 57.51 2x2o h LEU 19 Cb 0.56 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2x2o h LEU 19 CO 0.00 0.81 -0.53 0.59 0.09 0.00 0.00 178.44 179.40 2x2o n ASN 20 N -3.70 -5.58 -4.79 -0.43 4.13 -1.20 -4.99 115.26 98.70 2x2o n ASN 20 Ca -0.02 -0.08 -0.22 0.00 1.68 0.00 0.00 54.58 55.94 2x2o n ASN 20 Cb 0.72 -4.61 -0.05 0.00 -1.54 0.00 0.00 39.78 34.30 2x2o n ASN 20 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 2x2o s MET 21 N -5.28 2.77 0.14 3.52 -1.94 -1.26 -5.07 119.30 112.18 2x2o s MET 21 Ca 0.11 -1.16 -0.33 0.00 -1.71 0.00 0.00 55.69 52.60 2x2o s MET 21 Cb -0.05 -2.46 -0.12 0.00 2.01 0.00 0.00 34.83 34.21 2x2o s MET 21 CO 0.13 0.37 1.72 -2.30 -0.01 0.00 0.00 175.02 174.94 2x2o n PRO 22 N -1.13 2.53 -3.81 2.03 -0.02 -1.26 -4.92 135.00 128.42 2x2o n PRO 22 Ca -0.07 0.92 -0.12 0.00 -2.02 0.00 0.00 63.50 62.20 2x2o n PRO 22 Cb 0.58 -2.75 -0.11 0.00 -0.02 0.00 0.00 33.50 31.20 2x2o n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x2o s ALA 23 N 1.79 -0.51 -0.03 3.55 0.00 -1.26 -1.23 121.76 124.07 2x2o s ALA 23 Ca 0.80 0.45 0.01 0.00 0.00 0.00 0.00 51.96 53.21 2x2o s ALA 23 Cb -0.57 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.33 2x2o s ALA 23 CO 0.37 -0.13 -0.04 0.54 0.00 0.00 0.00 175.76 176.50 2x2o s VAL 24 N -0.27 0.43 0.08 0.00 0.11 -0.02 -4.96 120.40 115.76 2x2o s VAL 24 Ca -0.04 -0.09 -0.30 0.00 -2.93 0.00 0.00 61.98 58.62 2x2o s VAL 24 Cb -0.03 -0.45 -0.06 0.00 -1.53 0.00 0.00 36.38 34.31 2x2o s VAL 24 CO 0.01 0.19 1.15 -1.58 -3.33 0.00 0.00 175.10 171.53 2x2o s GLN 25 N 0.74 4.48 0.51 1.54 2.00 -1.26 -1.47 119.66 126.20 2x2o s GLN 25 Ca -0.09 1.71 -0.20 0.00 -2.00 0.00 0.00 55.36 54.78 2x2o s GLN 25 Cb -0.12 -3.35 -0.08 0.00 0.80 0.00 0.00 33.01 30.26 2x2o s GLN 25 CO -0.00 -0.16 1.06 0.96 -0.50 0.00 0.00 175.29 176.65 2x2o s ILE 26 N 0.79 3.63 0.05 -2.34 -4.36 -0.22 -4.90 121.20 113.85 2x2o s ILE 26 Ca 0.56 1.00 -0.00 0.00 -0.26 0.00 0.00 60.65 61.95 2x2o s ILE 26 Cb -0.28 -3.40 0.00 0.00 1.25 0.00 0.00 42.46 40.02 2x2o s ILE 26 CO 0.30 -0.23 0.07 -0.90 0.24 0.00 0.00 174.94 174.42 2x2o n ASP 27 N -1.10 -0.18 0.03 4.36 5.68 -1.26 -4.97 116.55 119.10 2x2o n ASP 27 Ca 0.10 -1.26 0.12 0.00 -0.50 0.00 0.00 54.79 53.25 2x2o n ASP 27 Cb 0.52 0.34 0.30 0.00 -1.14 0.00 0.00 41.12 41.14 2x2o n ASP 27 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2x2o n GLU 28 N -0.08 0.11 0.00 0.11 4.71 -1.26 -3.15 120.64 121.08 2x2o n GLU 28 Ca 0.00 0.04 0.05 0.00 -0.01 0.00 0.00 57.16 57.24 2x2o n GLU 28 Cb 0.08 -1.58 0.00 0.00 -1.01 0.00 0.00 31.44 28.94 2x2o n GLU 28 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 2x2o n ASP 29 N -1.74 1.24 -4.71 1.62 5.75 -1.26 -4.99 116.55 112.46 2x2o n ASP 29 Ca 0.05 -1.12 -0.42 0.00 -0.01 0.00 0.00 54.79 53.29 2x2o n ASP 29 Cb 0.37 0.42 -0.03 0.00 -1.03 0.00 0.00 41.12 40.86 2x2o n ASP 29 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2x2o s LEU 30 N -1.51 4.37 -0.20 -2.12 2.96 -1.19 -4.99 118.68 116.00 2x2o s LEU 30 Ca 0.08 2.23 -0.02 0.00 -0.22 0.00 0.00 54.13 56.20 2x2o s LEU 30 Cb 0.08 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.19 2x2o s LEU 30 CO 0.23 -0.60 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.86 2x2o s VAL 31 N 1.15 2.87 -0.27 1.68 1.01 -1.26 -4.94 120.40 120.64 2x2o s VAL 31 Ca 0.63 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.83 2x2o s VAL 31 Cb -0.35 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 2x2o s VAL 31 CO 0.30 0.47 0.19 -0.63 0.00 0.00 0.00 175.10 175.43 2x2o s ILE 32 N 1.35 5.32 -1.12 2.22 1.01 -1.26 -4.97 121.20 123.75 2x2o s ILE 32 Ca 0.04 0.19 0.29 0.00 0.00 0.00 0.00 60.65 61.18 2x2o s ILE 32 Cb -0.14 -3.53 0.30 0.00 0.01 0.00 0.00 42.46 39.10 2x2o s ILE 32 CO -0.06 0.28 1.93 -0.90 0.00 0.00 0.00 174.94 176.18 2x2o n ASP 33 N 4.82 0.04 -3.91 3.58 3.85 -1.26 -4.87 116.55 118.80 2x2o n ASP 33 Ca -0.14 0.28 -0.09 0.00 -0.71 0.00 0.00 54.79 54.13 2x2o n ASP 33 Cb 0.52 -0.40 -0.04 0.00 -1.35 0.00 0.00 41.12 39.85 2x2o n ASP 33 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.20 174.36 2x2o s GLU 34 N -2.89 1.58 0.30 0.11 -1.05 -1.26 -5.13 118.70 110.36 2x2o s GLU 34 Ca 0.18 -1.10 -0.29 0.00 -0.15 0.00 0.00 54.97 53.60 2x2o s GLU 34 Cb 0.19 0.52 -0.13 0.00 -0.44 0.00 0.00 34.13 34.27 2x2o s GLU 34 CO 0.52 -0.68 1.26 -0.25 0.95 0.00 0.00 175.26 177.07 2x2o n ASP 35 N -0.39 2.45 -3.94 0.83 8.00 -1.26 -4.84 116.55 117.40 2x2o n ASP 35 Ca -0.04 1.18 -0.08 0.00 0.71 0.00 0.00 54.79 56.56 2x2o n ASP 35 Cb 0.61 -1.43 -0.08 0.00 -0.02 0.00 0.00 41.12 40.21 2x2o n ASP 35 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2x2o s PHE 36 N -0.80 0.29 -0.14 1.24 -0.12 -0.61 -4.10 117.98 113.75 2x2o s PHE 36 Ca 0.60 -0.75 -0.04 0.00 -0.05 0.00 0.00 56.93 56.69 2x2o s PHE 36 Cb -0.62 -0.16 -0.03 0.00 -0.63 0.00 0.00 43.02 41.57 2x2o s PHE 36 CO 0.58 -0.51 0.00 0.42 -0.05 0.00 0.00 175.22 175.66 2x2o s ILE 37 N -3.89 4.27 -0.10 -4.49 -1.09 -0.45 -0.72 121.20 114.72 2x2o s ILE 37 Ca 0.07 -0.24 -0.14 0.00 -2.23 0.00 0.00 60.65 58.11 2x2o s ILE 37 Cb 0.06 -2.86 -0.05 0.00 -1.58 0.00 0.00 42.46 38.03 2x2o s ILE 37 CO -0.10 0.52 0.34 -0.22 -1.23 0.00 0.00 174.94 174.26 2x2o s LEU 38 N -0.07 4.33 -0.22 2.97 2.96 -0.68 -0.85 118.68 127.12 2x2o s LEU 38 Ca 0.04 0.68 -0.02 0.00 -0.22 0.00 0.00 54.13 54.61 2x2o s LEU 38 Cb -0.13 -2.45 0.01 0.00 0.50 0.00 0.00 46.19 44.13 2x2o s LEU 38 CO 0.02 0.18 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.51 2x2o s ILE 39 N -0.12 2.81 0.26 6.68 1.01 0.01 -0.74 121.20 131.11 2x2o s ILE 39 Ca 0.20 -0.85 0.11 0.00 0.00 0.00 0.00 60.65 60.11 2x2o s ILE 39 Cb -0.14 -2.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.96 2x2o s ILE 39 CO 0.08 0.35 -0.11 0.28 0.00 0.00 0.00 174.94 175.54 2x2o s THR 40 N 1.36 2.94 0.68 2.92 -1.32 -0.70 -2.52 115.64 119.00 2x2o s THR 40 Ca 0.03 -2.13 0.03 0.00 -1.21 0.00 0.00 61.69 58.41 2x2o s THR 40 Cb -0.15 -2.54 0.12 0.00 -1.51 0.00 0.00 72.50 68.42 2x2o s THR 40 CO -0.06 -0.36 0.94 -0.72 -2.21 0.00 0.00 174.62 172.21 2x2o s TYR 41 N -2.34 1.40 -0.11 9.09 -0.85 -1.26 -0.73 117.35 122.54 2x2o s TYR 41 Ca 0.30 -0.46 0.03 0.00 -0.52 0.00 0.00 57.07 56.41 2x2o s TYR 41 Cb -0.06 -2.73 0.01 0.00 0.38 0.00 0.00 41.96 39.55 2x2o s TYR 41 CO 0.17 -1.59 -0.21 0.99 -1.52 0.00 0.00 175.55 173.39 2x2o s THR 42 N -3.01 1.91 0.54 -3.49 2.01 -0.97 -4.41 115.64 108.22 2x2o s THR 42 Ca 0.66 -0.91 0.03 0.00 0.31 0.00 0.00 61.69 61.78 2x2o s THR 42 Cb -0.05 -1.68 0.04 0.00 0.01 0.00 0.00 72.50 70.82 2x2o s THR 42 CO 0.43 0.52 0.75 0.42 -0.69 0.00 0.00 174.62 176.06 2x2o s THR 43 N 0.64 2.66 0.14 -0.82 -4.23 -0.27 -4.90 115.64 108.87 2x2o s THR 43 Ca -0.12 -0.75 -0.34 0.00 -1.18 0.00 0.00 61.69 59.30 2x2o s THR 43 Cb -0.16 -2.91 -0.16 0.00 1.34 0.00 0.00 72.50 70.60 2x2o s THR 43 CO 0.03 0.00 1.22 0.61 -0.54 0.00 0.00 174.62 175.94 2x2o n GLY 44 N -2.28 0.20 2.37 3.99 0.00 -1.26 -1.71 105.19 106.49 2x2o n GLY 44 Ca 0.09 0.59 -0.10 0.00 0.00 0.00 0.00 46.02 46.60 2x2o n GLY 44 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2x2o n PHE 45 N 1.84 -1.04 -1.52 1.61 3.72 -1.26 -3.81 117.46 117.00 2x2o n PHE 45 Ca 0.16 0.32 -0.01 0.00 -0.05 0.00 0.00 57.45 57.87 2x2o n PHE 45 Cb 0.23 -2.68 -0.00 0.00 -0.94 0.00 0.00 39.48 36.08 2x2o n PHE 45 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2x2o n GLY 46 N -1.13 0.40 3.98 1.37 0.00 -0.99 -5.03 105.19 103.79 2x2o n GLY 46 Ca -0.03 -0.94 -0.20 0.00 0.00 0.00 0.00 46.02 44.85 2x2o n GLY 46 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2x2o s ASN 47 N -2.97 5.90 -0.13 1.61 0.01 -0.70 -2.89 114.94 115.78 2x2o s ASN 47 Ca 0.00 -0.06 -0.15 0.00 -0.71 0.00 0.00 52.86 51.94 2x2o s ASN 47 Cb 0.00 -1.28 -0.05 0.00 0.41 0.00 0.00 41.25 40.33 2x2o s ASN 47 CO 0.00 -0.54 0.34 -0.69 -1.51 0.00 0.00 177.10 174.70 2x2o s VAL 48 N -2.30 5.26 0.52 1.60 1.01 -1.26 -1.11 120.40 124.11 2x2o s VAL 48 Ca 0.47 0.66 -0.23 0.00 0.00 0.00 0.00 61.98 62.88 2x2o s VAL 48 Cb -0.10 -3.67 -0.06 0.00 0.00 0.00 0.00 36.38 32.55 2x2o s VAL 48 CO 0.33 0.40 1.40 -2.84 0.00 0.00 0.00 175.10 174.40 2x2o s PRO 49 N 0.28 3.31 0.25 2.72 0.02 -1.26 -4.78 135.00 135.54 2x2o s PRO 49 Ca 0.19 2.34 -0.05 0.00 0.02 0.00 0.00 61.00 63.50 2x2o s PRO 49 Cb -0.14 -2.40 0.31 0.00 0.02 0.00 0.00 34.50 32.29 2x2o s PRO 49 CO 0.06 -1.09 1.89 1.49 -0.33 0.00 0.00 177.00 179.02 2x2o h GLU 50 N 1.75 1.14 -0.47 5.54 4.57 -1.99 -1.16 114.58 123.97 2x2o h GLU 50 Ca -0.51 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 57.57 2x2o h GLU 50 Cb 1.29 -0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 29.60 2x2o h GLU 50 CO 0.58 0.75 0.16 -0.09 -1.18 0.00 0.00 179.01 179.24 2x2o h ARG 51 N 1.17 0.67 -0.35 1.92 2.43 -2.00 -0.24 114.38 117.99 2x2o h ARG 51 Ca 0.38 -0.10 -0.10 0.00 -0.81 0.00 0.00 59.98 59.35 2x2o h ARG 51 Cb 0.03 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 2x2o h ARG 51 CO -0.13 0.57 -0.17 0.28 -1.51 0.00 0.00 179.97 179.01 2x2o h VAL 52 N 0.66 1.29 -0.66 0.20 2.07 -1.62 -1.78 116.25 116.41 2x2o h VAL 52 Ca 0.16 -1.29 0.02 0.00 0.82 0.00 0.00 66.70 66.41 2x2o h VAL 52 Cb 0.17 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 2x2o h VAL 52 CO -0.01 0.42 0.42 -0.07 0.02 0.00 0.00 177.57 178.35 2x2o h LEU 53 N 0.52 0.71 -0.37 2.57 3.38 -0.64 -0.25 115.31 121.23 2x2o h LEU 53 Ca 0.08 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2x2o h LEU 53 Cb 0.71 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2x2o h LEU 53 CO 0.05 0.50 0.22 0.44 0.09 0.00 0.00 178.44 179.74 2x2o h ASP 54 N 0.84 0.44 -0.56 -0.43 3.32 -1.00 -0.86 116.42 118.17 2x2o h ASP 54 Ca 0.26 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2x2o h ASP 54 Cb -0.03 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 2x2o h ASP 54 CO -0.08 0.36 0.37 0.15 -1.72 0.00 0.00 179.24 178.31 2x2o h PHE 55 N 0.48 0.70 -0.12 4.55 3.57 -1.00 -2.84 116.94 122.28 2x2o h PHE 55 Ca 0.13 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.53 2x2o h PHE 55 Cb 0.00 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 2x2o h PHE 55 CO -0.04 0.45 -0.45 -0.07 -2.23 0.00 0.00 178.31 175.97 2x2o h LEU 56 N 0.75 0.31 -1.90 0.59 3.38 -0.80 -0.46 115.31 117.18 2x2o h LEU 56 Ca 0.20 -0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.13 2x2o h LEU 56 Cb -0.08 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2x2o h LEU 56 CO -0.04 0.72 0.27 -0.33 0.09 0.00 0.00 178.44 179.15 2x2o h GLU 57 N 0.24 0.11 0.00 1.13 5.08 -0.91 -2.16 114.58 118.07 2x2o h GLU 57 Ca 0.02 -0.01 -0.26 0.00 -1.00 0.00 0.00 59.36 58.11 2x2o h GLU 57 Cb 0.89 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.06 2x2o h GLU 57 CO 0.07 0.07 -1.77 0.54 -1.00 0.00 0.00 179.01 176.93 2x2o n ARG 58 N -4.45 0.64 -0.04 2.33 1.74 -0.89 -4.63 116.66 111.36 2x2o n ARG 58 Ca 0.06 0.21 0.05 0.00 -0.77 0.00 0.00 57.85 57.39 2x2o n ARG 58 Cb 0.39 -1.74 0.07 0.00 -1.02 0.00 0.00 32.46 30.15 2x2o n ARG 58 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2x2o n ASN 59 N -2.92 2.13 0.25 0.55 3.02 -0.23 -4.80 115.26 113.26 2x2o n ASN 59 Ca -0.18 -2.51 0.15 0.00 -0.03 0.00 0.00 54.58 52.01 2x2o n ASN 59 Cb 1.00 -0.21 0.51 0.00 -0.61 0.00 0.00 39.78 40.47 2x2o n ASN 59 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2x2o h ASN 60 N 0.00 0.00 0.08 6.41 7.08 -1.66 -3.17 115.58 124.32 2x2o h ASN 60 Ca 0.00 0.00 -0.07 0.00 -3.08 0.00 0.00 56.30 53.15 2x2o h ASN 60 Cb 0.75 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.98 2x2o h ASN 60 CO 0.00 0.03 -0.21 -0.08 -2.08 0.00 0.00 177.43 175.09 2x2o h GLU 61 N 0.00 0.24 -0.07 4.14 4.22 -1.88 -2.33 114.58 118.90 2x2o h GLU 61 Ca -0.00 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.37 2x2o h GLU 61 Cb 0.69 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2x2o h GLU 61 CO 0.00 0.45 0.00 1.63 -2.18 0.00 0.00 179.01 178.91 2x2o n LYS 62 N -4.20 1.87 -2.11 1.92 4.76 -1.20 -4.90 118.16 114.31 2x2o n LYS 62 Ca -0.01 -1.28 -0.42 0.00 -2.87 0.00 0.00 58.31 53.73 2x2o n LYS 62 Cb 0.33 -1.46 -0.03 0.00 -1.84 0.00 0.00 35.03 32.03 2x2o n LYS 62 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2x2o s LEU 63 N -1.88 4.33 0.00 -0.35 2.96 -0.88 -1.57 118.68 121.29 2x2o s LEU 63 Ca 0.35 2.25 0.06 0.00 -0.22 0.00 0.00 54.13 56.57 2x2o s LEU 63 Cb 0.20 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.36 2x2o s LEU 63 CO 0.31 -0.79 0.59 0.29 -1.32 0.00 0.00 176.35 175.43 2x2o n LYS 64 N 5.58 1.06 0.00 1.98 4.76 0.10 -4.91 118.16 126.73 2x2o n LYS 64 Ca 0.14 -0.67 0.00 0.00 -2.87 0.00 0.00 58.31 54.91 2x2o n LYS 64 Cb 0.42 -1.04 0.00 0.00 -1.84 0.00 0.00 35.03 32.58 2x2o n LYS 64 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2x2o n GLY 65 N 0.52 1.37 2.90 0.72 0.00 -1.26 -4.26 105.19 105.19 2x2o n GLY 65 Ca 0.03 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 2x2o n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x2o s VAL 66 N -2.00 0.13 0.14 1.61 0.11 -0.67 -1.69 120.40 118.03 2x2o s VAL 66 Ca 0.00 -0.08 0.11 0.00 -2.93 0.00 0.00 61.98 59.08 2x2o s VAL 66 Cb 0.00 -0.12 -0.04 0.00 -1.53 0.00 0.00 36.38 34.69 2x2o s VAL 66 CO 0.00 0.03 -0.26 -0.44 -3.33 0.00 0.00 175.10 171.10 2x2o s SER 67 N -0.06 3.38 -0.04 3.54 0.01 0.08 -0.59 113.70 120.03 2x2o s SER 67 Ca 0.00 -0.75 0.05 0.00 1.31 0.00 0.00 55.95 56.57 2x2o s SER 67 Cb -0.01 -0.25 -0.01 0.00 0.21 0.00 0.00 66.02 65.96 2x2o s SER 67 CO -0.00 0.17 -0.21 0.00 0.41 0.00 0.00 173.24 173.61 2x2o s ALA 68 N -1.16 1.78 0.11 1.44 0.00 -0.90 -1.73 121.76 121.31 2x2o s ALA 68 Ca 0.15 -0.85 -0.22 0.00 0.00 0.00 0.00 51.96 51.04 2x2o s ALA 68 Cb -0.10 -0.55 -0.07 0.00 0.00 0.00 0.00 23.12 22.41 2x2o s ALA 68 CO 0.07 0.36 0.65 0.45 0.00 0.00 0.00 175.76 177.29 2x2o s SER 69 N -0.14 7.20 0.00 0.00 0.15 0.09 -1.39 113.70 119.60 2x2o s SER 69 Ca -0.01 1.42 0.00 0.00 0.70 0.00 0.00 55.95 58.06 2x2o s SER 69 Cb -0.11 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2x2o s SER 69 CO 0.02 0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.32 2x2o n GLY 70 N 1.66 3.66 3.27 9.45 0.00 -0.30 -2.30 105.19 120.63 2x2o n GLY 70 Ca -0.08 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 2x2o n GLY 70 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2x2o s ASN 71 N 1.90 -0.30 0.13 1.61 3.84 -1.26 -1.23 114.94 119.63 2x2o s ASN 71 Ca 0.00 0.98 0.13 0.00 0.21 0.00 0.00 52.86 54.19 2x2o s ASN 71 Cb 0.00 1.27 0.63 0.00 -0.55 0.00 0.00 41.25 42.59 2x2o s ASN 71 CO 0.00 -0.23 1.41 0.54 -2.79 0.00 0.00 177.10 176.04 2x2o n ARG 72 N 5.22 0.07 0.00 0.43 1.74 -1.26 -1.69 116.66 121.17 2x2o n ARG 72 Ca -0.11 0.46 0.08 0.00 -0.77 0.00 0.00 57.85 57.51 2x2o n ARG 72 Cb 0.50 -1.68 0.44 0.00 -1.02 0.00 0.00 32.46 30.70 2x2o n ARG 72 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2x2o n ASN 73 N -1.83 0.00 -0.57 0.55 0.23 -1.26 -1.36 115.26 111.02 2x2o n ASN 73 Ca 0.01 -0.12 0.10 0.00 -0.53 0.00 0.00 54.58 54.03 2x2o n ASN 73 Cb 0.10 -0.20 0.33 0.00 -2.08 0.00 0.00 39.78 37.93 2x2o n ASN 73 CO 0.00 0.00 0.00 0.79 -0.93 0.00 0.00 177.26 177.12 2x2o n TRP 74 N -1.20 0.26 -1.26 -2.53 7.02 -0.68 -5.03 117.44 114.02 2x2o n TRP 74 Ca 0.09 -0.13 0.00 0.00 -1.02 0.00 0.00 57.50 56.44 2x2o n TRP 74 Cb 0.11 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.00 2x2o n TRP 74 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2x2o n GLY 75 N 1.12 3.01 0.00 6.99 0.00 -0.46 -1.34 105.19 114.50 2x2o n GLY 75 Ca 0.15 -0.25 0.06 0.00 0.00 0.00 0.00 46.02 45.98 2x2o n GLY 75 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2x2o n ASP 76 N 4.28 0.00 -0.83 1.61 3.85 -1.26 -1.44 116.55 122.76 2x2o n ASP 76 Ca 0.00 -1.38 0.11 0.00 -0.71 0.00 0.00 54.79 52.81 2x2o n ASP 76 Cb 0.00 0.00 0.29 0.00 -1.35 0.00 0.00 41.12 40.06 2x2o n ASP 76 CO 0.00 0.00 0.00 0.23 -1.01 0.00 0.00 177.20 176.42 2x2o n MET 77 N -0.73 2.09 -1.64 0.11 2.81 -0.45 -4.85 117.12 114.47 2x2o n MET 77 Ca 0.10 -1.65 -0.47 0.00 -1.81 0.00 0.00 57.70 53.87 2x2o n MET 77 Cb 0.04 -1.44 -0.05 0.00 -0.71 0.00 0.00 33.22 31.06 2x2o n MET 77 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2x2o n PHE 78 N 0.87 2.20 -1.76 2.03 7.35 -0.52 -2.30 117.46 125.33 2x2o n PHE 78 Ca 0.17 -0.02 -0.18 0.00 -0.76 0.00 0.00 57.45 56.66 2x2o n PHE 78 Cb 0.46 -2.67 -0.06 0.00 0.35 0.00 0.00 39.48 37.56 2x2o n PHE 78 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2x2o n GLY 79 N 4.90 1.15 0.00 7.13 0.00 -1.26 -4.84 105.19 112.26 2x2o n GLY 79 Ca 0.26 -0.14 0.11 0.00 0.00 0.00 0.00 46.02 46.25 2x2o n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x2o n ALA 80 N 0.40 2.14 -0.30 4.61 0.00 -0.97 -1.47 120.51 124.91 2x2o n ALA 80 Ca -0.19 -0.10 0.04 0.00 0.00 0.00 0.00 53.44 53.19 2x2o n ALA 80 Cb 0.61 -1.37 0.18 0.00 0.00 0.00 0.00 19.45 18.87 2x2o n ALA 80 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2x2o h SER 81 N 0.00 0.71 -0.63 0.00 4.64 -1.72 -1.49 113.55 115.06 2x2o h SER 81 Ca 0.00 0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 61.28 2x2o h SER 81 Cb 0.27 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 2x2o h SER 81 CO 0.00 0.40 0.03 0.00 -0.87 0.00 0.00 176.83 176.39 2x2o h ALA 82 N 1.47 0.85 -0.43 5.18 0.00 -1.60 -1.97 119.26 122.77 2x2o h ALA 82 Ca 0.42 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 55.07 2x2o h ALA 82 Cb 0.39 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2x2o h ALA 82 CO -0.25 0.68 0.18 -0.44 0.00 0.00 0.00 179.25 179.41 2x2o h ASP 83 N 1.01 0.23 -0.52 0.00 3.32 -1.52 0.25 116.42 119.19 2x2o h ASP 83 Ca 0.18 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.22 2x2o h ASP 83 Cb 0.53 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 2x2o h ASP 83 CO 0.03 0.17 0.13 0.11 -1.72 0.00 0.00 179.24 177.96 2x2o h LYS 84 N 0.37 0.83 -0.21 3.56 1.57 -1.08 -0.65 116.57 120.95 2x2o h LYS 84 Ca 0.19 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2x2o h LYS 84 Cb 0.14 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2x2o h LYS 84 CO -0.17 0.79 0.03 0.82 -0.57 0.00 0.00 179.45 180.35 2x2o h ILE 85 N 0.72 1.23 -0.41 1.86 2.04 -1.20 -1.30 117.51 120.45 2x2o h ILE 85 Ca 0.16 -0.78 0.01 0.00 1.00 0.00 0.00 64.86 65.25 2x2o h ILE 85 Cb 0.33 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 2x2o h ILE 85 CO 0.00 0.24 0.27 -1.28 0.00 0.00 0.00 178.15 177.38 2x2o h SER 86 N 0.15 0.46 -0.34 1.72 0.87 -0.85 -1.20 113.55 114.36 2x2o h SER 86 Ca 0.06 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 2x2o h SER 86 Cb 0.34 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 2x2o h SER 86 CO 0.01 0.33 0.08 0.74 -0.53 0.00 0.00 176.83 177.45 2x2o h THR 87 N 0.54 1.23 0.01 2.23 2.02 -1.06 0.50 112.91 118.38 2x2o h THR 87 Ca 0.15 -0.77 -0.00 0.00 0.77 0.00 0.00 66.41 66.57 2x2o h THR 87 Cb -0.05 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 2x2o h THR 87 CO -0.04 0.26 -0.01 0.50 0.37 0.00 0.00 175.52 176.60 2x2o h LYS 88 N 0.39 -0.02 -0.03 6.66 3.64 -1.07 -3.30 116.57 122.85 2x2o h LYS 88 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2x2o h LYS 88 Cb 0.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2x2o h LYS 88 CO 0.00 0.24 -0.05 0.66 -2.27 0.00 0.00 179.45 178.04 2x2o n TYR 89 N -4.97 0.00 -3.42 1.91 4.01 -0.47 -4.99 117.16 109.23 2x2o n TYR 89 Ca -0.08 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.49 2x2o n TYR 89 Cb 0.15 -0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.26 2x2o n TYR 89 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2x2o n GLU 90 N 1.10 -4.87 -4.24 -0.72 1.02 0.15 -5.03 120.64 108.05 2x2o n GLU 90 Ca 0.14 0.81 -0.20 0.00 -0.02 0.00 0.00 57.16 57.89 2x2o n GLU 90 Cb 0.56 -5.71 -0.12 0.00 -0.02 0.00 0.00 31.44 26.16 2x2o n GLU 90 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2x2o s VAL 91 N -3.41 1.42 0.63 2.62 -7.23 -1.12 -5.07 120.40 108.24 2x2o s VAL 91 Ca 0.16 -1.56 -0.15 0.00 -1.81 0.00 0.00 61.98 58.62 2x2o s VAL 91 Cb -0.03 -1.42 -0.01 0.00 0.56 0.00 0.00 36.38 35.48 2x2o s VAL 91 CO 0.75 -0.24 1.10 -2.16 -0.31 0.00 0.00 175.10 174.23 2x2o s PRO 92 N -2.17 2.98 -0.53 4.82 0.04 -1.26 -4.44 135.00 134.44 2x2o s PRO 92 Ca 0.05 1.35 -0.27 0.00 0.04 0.00 0.00 61.00 62.17 2x2o s PRO 92 Cb -0.08 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.52 2x2o s PRO 92 CO 0.03 -1.10 1.05 0.42 0.04 0.00 0.00 177.00 177.45 2x2o s ILE 93 N -2.35 4.25 0.08 0.56 1.01 -1.26 -1.67 121.20 121.83 2x2o s ILE 93 Ca 0.66 0.75 -0.24 0.00 0.00 0.00 0.00 60.65 61.82 2x2o s ILE 93 Cb -0.19 -4.59 -0.15 0.00 0.01 0.00 0.00 42.46 37.53 2x2o s ILE 93 CO 0.40 -1.11 1.72 0.58 0.00 0.00 0.00 174.94 176.52 2x2o h VAL 94 N 6.12 0.97 -2.00 2.92 2.07 -1.21 -3.48 116.25 121.64 2x2o h VAL 94 Ca -0.25 -0.04 0.20 0.00 0.82 0.00 0.00 66.70 67.44 2x2o h VAL 94 Cb 1.07 1.00 -0.13 0.00 -1.52 0.00 0.00 31.29 31.71 2x2o h VAL 94 CO 1.11 0.01 0.61 -0.94 0.02 0.00 0.00 177.57 178.39 2x2o s SER 95 N -5.16 -0.20 -0.00 0.57 1.04 -1.25 -4.93 113.70 103.77 2x2o s SER 95 Ca -0.13 -0.17 0.06 0.00 0.48 0.00 0.00 55.95 56.19 2x2o s SER 95 Cb 0.06 0.33 -0.02 0.00 0.10 0.00 0.00 66.02 66.50 2x2o s SER 95 CO 0.66 -0.59 -0.19 -0.54 0.98 0.00 0.00 173.24 173.56 2x2o s LYS 96 N -2.92 1.45 0.09 4.02 1.02 -1.26 -2.12 119.74 120.03 2x2o s LYS 96 Ca 0.10 -0.71 -0.06 0.00 0.02 0.00 0.00 55.97 55.32 2x2o s LYS 96 Cb 0.00 -1.44 -0.02 0.00 -0.52 0.00 0.00 37.83 35.86 2x2o s LYS 96 CO -0.03 0.39 0.14 -0.59 -0.92 0.00 0.00 175.35 174.33 2x2o s PHE 97 N -0.52 0.34 -0.03 3.18 -0.12 -0.49 -4.98 117.98 115.36 2x2o s PHE 97 Ca 0.07 -0.78 -0.17 0.00 -0.05 0.00 0.00 56.93 56.00 2x2o s PHE 97 Cb -0.07 -0.18 -0.05 0.00 -0.63 0.00 0.00 43.02 42.09 2x2o s PHE 97 CO -0.00 -0.53 0.47 -1.21 -0.05 0.00 0.00 175.22 173.90 2x2o s GLU 98 N -3.91 4.14 7.09 1.99 2.02 -1.26 -1.15 118.70 127.62 2x2o s GLU 98 Ca 0.09 0.49 0.00 0.00 0.02 0.00 0.00 54.97 55.57 2x2o s GLU 98 Cb 0.06 -3.31 0.00 0.00 0.10 0.00 0.00 34.13 30.98 2x2o s GLU 98 CO -0.08 0.47 0.00 1.28 0.02 0.00 0.00 175.26 176.94 2x2o n LEU 99 N 2.55 0.00 -0.52 1.80 4.77 -0.37 -0.87 117.00 124.36 2x2o n LEU 99 Ca -0.10 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 55.98 2x2o n LEU 99 Cb 0.52 0.00 0.37 0.00 -2.33 0.00 0.00 43.42 41.98 2x2o n LEU 99 CO 0.40 0.00 0.77 -1.54 -1.33 0.00 0.00 177.39 175.69 2x2o n SER 100 N 5.03 1.56 -0.28 -1.43 3.41 -1.26 -4.45 113.62 116.20 2x2o n SER 100 Ca 0.00 -1.70 0.03 0.00 -0.26 0.00 0.00 58.87 56.94 2x2o n SER 100 Cb 0.00 -0.10 -0.02 0.00 -0.26 0.00 0.00 64.21 63.83 2x2o n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x2o n GLY 101 N 1.10 -2.59 4.00 5.00 0.00 -0.05 -4.05 105.19 108.60 2x2o n GLY 101 Ca 0.16 -1.38 -0.19 0.00 0.00 0.00 0.00 46.02 44.61 2x2o n GLY 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2x2o s THR 102 N -2.99 2.79 0.29 2.61 -4.23 -1.26 -4.98 115.64 107.87 2x2o s THR 102 Ca 0.00 -0.88 0.03 0.00 -1.18 0.00 0.00 61.69 59.65 2x2o s THR 102 Cb 0.00 -2.91 0.29 0.00 1.34 0.00 0.00 72.50 71.22 2x2o s THR 102 CO 0.00 0.00 1.83 -1.13 -0.54 0.00 0.00 174.62 174.78 2x2o h ASN 103 N 0.38 0.88 -0.42 3.99 -1.24 -2.00 -1.77 115.58 115.41 2x2o h ASN 103 Ca -0.40 0.05 -0.11 0.00 0.71 0.00 0.00 56.30 56.56 2x2o h ASN 103 Cb 1.29 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 40.20 2x2o h ASN 103 CO 0.47 0.45 -0.14 0.78 -1.29 0.00 0.00 177.43 177.69 2x2o h ASN 104 N 0.94 0.89 -0.95 1.15 2.35 -1.99 -1.55 115.58 116.41 2x2o h ASN 104 Ca 0.51 -0.30 0.05 0.00 -0.55 0.00 0.00 56.30 56.01 2x2o h ASN 104 Cb 0.57 -0.24 -0.06 0.00 0.05 0.00 0.00 38.32 38.64 2x2o h ASN 104 CO -0.28 1.04 0.61 0.44 -1.65 0.00 0.00 177.43 177.59 2x2o h ASP 105 N 0.79 0.99 -0.06 5.81 3.32 -1.72 -0.25 116.42 125.31 2x2o h ASP 105 Ca 0.12 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 2x2o h ASP 105 Cb 0.67 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 2x2o h ASP 105 CO 0.05 0.65 0.03 0.58 -1.72 0.00 0.00 179.24 178.83 2x2o h VAL 106 N 1.14 1.11 -0.49 -1.35 2.07 -1.04 -1.49 116.25 116.20 2x2o h VAL 106 Ca 0.40 -0.31 -0.11 0.00 0.82 0.00 0.00 66.70 67.50 2x2o h VAL 106 Cb 0.11 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2x2o h VAL 106 CO -0.15 0.09 -0.13 -0.33 0.02 0.00 0.00 177.57 177.07 2x2o h GLU 107 N -0.03 0.92 -0.48 1.57 5.08 -1.02 -2.34 114.58 118.28 2x2o h GLU 107 Ca 0.02 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 2x2o h GLU 107 Cb 0.12 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2x2o h GLU 107 CO -0.00 0.99 0.25 -0.92 -1.00 0.00 0.00 179.01 178.33 2x2o h TYR 108 N 0.82 0.66 -0.25 4.33 3.20 -0.96 -0.95 116.97 123.82 2x2o h TYR 108 Ca 0.13 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.03 2x2o h TYR 108 Cb 0.67 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.67 2x2o h TYR 108 CO 0.04 0.51 -0.10 0.35 -1.64 0.00 0.00 178.16 177.32 2x2o h PHE 109 N 0.63 -0.22 -0.58 -3.82 3.57 -1.07 -0.33 116.94 115.12 2x2o h PHE 109 Ca 0.17 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 2x2o h PHE 109 Cb 0.07 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 2x2o h PHE 109 CO -0.02 -0.15 0.21 0.87 -2.23 0.00 0.00 178.31 176.99 2x2o h LYS 110 N -0.05 0.88 -0.83 1.11 1.57 -1.13 0.17 116.57 118.29 2x2o h LYS 110 Ca 0.13 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2x2o h LYS 110 Cb 0.25 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 2x2o h LYS 110 CO -0.29 0.78 0.46 0.93 -0.57 0.00 0.00 179.45 180.76 2x2o h GLU 111 N 0.81 1.16 -0.34 3.15 5.08 -0.85 -1.33 114.58 122.26 2x2o h GLU 111 Ca 0.19 -0.13 -0.13 0.00 -1.00 0.00 0.00 59.36 58.29 2x2o h GLU 111 Cb 0.25 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2x2o h GLU 111 CO -0.01 0.85 -0.30 0.00 -1.00 0.00 0.00 179.01 178.55 2x2o h ARG 112 N 1.16 0.73 -0.69 2.33 2.47 -0.71 -2.25 114.38 117.42 2x2o h ARG 112 Ca 0.29 -0.33 -0.08 0.00 -1.26 0.00 0.00 59.98 58.61 2x2o h ARG 112 Cb 0.02 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.30 2x2o h ARG 112 CO -0.05 0.94 0.13 0.28 0.56 0.00 0.00 179.97 181.83 2x2o h VAL 113 N 0.63 1.26 -0.98 2.04 2.07 -0.83 -1.82 116.25 118.62 2x2o h VAL 113 Ca 0.07 -1.03 0.04 0.00 0.82 0.00 0.00 66.70 66.61 2x2o h VAL 113 Cb 0.82 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 31.12 2x2o h VAL 113 CO 0.07 0.39 0.64 0.03 0.02 0.00 0.00 177.57 178.72 2x2o h ARG 114 N 1.06 1.19 -0.20 1.57 3.08 -0.99 0.16 114.38 120.25 2x2o h ARG 114 Ca 0.21 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 2x2o h ARG 114 Cb 0.43 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2x2o h ARG 114 CO 0.01 0.79 0.11 0.93 -1.07 0.00 0.00 179.97 180.73 2x2o h GLU 115 N 1.22 0.28 -0.14 0.04 5.08 -0.95 -3.17 114.58 116.95 2x2o h GLU 115 Ca 0.40 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.57 2x2o h GLU 115 Cb 0.03 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2x2o h GLU 115 CO -0.13 0.28 -0.57 0.82 -1.00 0.00 0.00 179.01 178.41 2x2o h ILE 116 N 0.21 1.34 0.00 3.13 2.04 -0.84 -3.52 117.51 119.88 2x2o h ILE 116 Ca 0.07 -1.85 0.00 0.00 1.00 0.00 0.00 64.86 64.08 2x2o h ILE 116 Cb 0.08 1.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 2x2o h ILE 116 CO -0.01 0.56 0.00 0.00 0.00 0.00 0.00 178.15 178.70