#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i7o s GLN 2 N 0.00 3.83 -0.35 0.00 -0.21 -1.26 -4.77 119.66 116.91 2i7o s GLN 2 Ca 0.00 -2.68 0.08 0.00 0.02 0.00 0.00 55.36 52.78 2i7o s GLN 2 Cb 0.00 -4.53 0.45 0.00 1.00 0.00 0.00 33.01 29.92 2i7o s GLN 2 CO 0.00 -1.33 1.14 0.00 -2.12 0.00 0.00 175.29 172.98 2i7o s SER 4 N -3.56 -0.27 -0.06 0.00 1.04 -1.26 -1.30 113.70 108.29 2i7o s SER 4 Ca 0.47 -0.32 -0.17 0.00 0.48 0.00 0.00 55.95 56.41 2i7o s SER 4 Cb 0.40 0.50 0.03 0.00 0.10 0.00 0.00 66.02 67.06 2i7o s SER 4 CO -0.06 -0.90 0.39 0.54 0.98 0.00 0.00 173.24 174.20 2i7o s VAL 5 N -3.81 0.03 -0.24 5.02 0.11 -0.35 -4.95 120.40 116.21 2i7o s VAL 5 Ca 0.04 -0.27 -0.08 0.00 -2.93 0.00 0.00 61.98 58.74 2i7o s VAL 5 Cb 0.01 -0.66 -0.04 0.00 -1.53 0.00 0.00 36.38 34.17 2i7o s VAL 5 CO -0.10 -0.15 0.11 -1.81 -3.33 0.00 0.00 175.10 169.81 2i7o s ASP 6 N -0.85 5.54 -0.03 3.54 1.01 -1.26 -0.93 116.67 123.69 2i7o s ASP 6 Ca -0.09 -0.07 0.06 0.00 0.71 0.00 0.00 52.55 53.16 2i7o s ASP 6 Cb -0.04 -2.00 -0.02 0.00 1.01 0.00 0.00 42.92 41.87 2i7o s ASP 6 CO 0.04 0.01 -0.21 -0.63 0.21 0.00 0.00 175.17 174.59 2i7o s ILE 7 N 1.34 2.47 0.01 0.77 -1.09 0.13 -4.95 121.20 119.87 2i7o s ILE 7 Ca 0.06 -0.97 0.08 0.00 -2.23 0.00 0.00 60.65 57.59 2i7o s ILE 7 Cb -0.15 -1.91 -0.02 0.00 -1.58 0.00 0.00 42.46 38.80 2i7o s ILE 7 CO 0.05 0.57 -0.25 -1.10 -1.23 0.00 0.00 174.94 172.98 2i7o s GLN 8 N -0.70 1.85 -0.12 2.79 -0.21 -1.26 -1.50 119.66 120.50 2i7o s GLN 8 Ca 0.11 -0.96 0.02 0.00 0.02 0.00 0.00 55.36 54.55 2i7o s GLN 8 Cb -0.10 -1.88 0.01 0.00 1.00 0.00 0.00 33.01 32.04 2i7o s GLN 8 CO -0.00 0.50 -0.17 0.20 -2.12 0.00 0.00 175.29 173.70 2i7o s GLY 9 N -0.86 1.16 0.10 3.09 0.00 -0.66 -1.74 107.32 108.42 2i7o s GLY 9 Ca 0.10 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 43.95 2i7o s GLY 9 CO 0.00 0.18 0.08 1.16 0.00 0.00 0.00 173.10 174.53 2i7o n ASN 10 N 4.23 1.21 0.00 1.64 0.23 -0.82 -3.25 115.26 118.51 2i7o n ASN 10 Ca -0.19 -1.34 0.10 0.00 -0.53 0.00 0.00 54.58 52.62 2i7o n ASN 10 Cb 0.51 -0.02 0.50 0.00 -2.08 0.00 0.00 39.78 38.70 2i7o n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2i7o n ASP 11 N -2.08 0.00 -1.61 0.53 8.00 -1.24 -2.70 116.55 117.44 2i7o n ASP 11 Ca -0.00 0.14 0.08 0.00 0.71 0.00 0.00 54.79 55.73 2i7o n ASP 11 Cb 0.11 -0.35 0.35 0.00 -0.02 0.00 0.00 41.12 41.22 2i7o n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2i7o n GLN 12 N -1.35 3.92 -3.57 -1.24 6.02 -1.26 -4.94 117.38 114.95 2i7o n GLN 12 Ca 0.08 -2.77 -0.20 0.00 -0.01 0.00 0.00 57.00 54.10 2i7o n GLN 12 Cb 0.19 -1.98 0.06 0.00 1.02 0.00 0.00 30.24 29.54 2i7o n GLN 12 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 2i7o n MET 13 N 0.91 -6.02 -3.91 -1.09 0.00 -1.10 -5.01 117.12 100.91 2i7o n MET 13 Ca 0.25 0.75 -0.11 0.00 -0.00 0.00 0.00 57.70 58.59 2i7o n MET 13 Cb 0.94 -5.58 -0.12 0.00 0.00 0.00 0.00 33.22 28.45 2i7o n MET 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 2i7o s GLN 14 N -5.74 0.20 0.42 2.12 -1.52 -1.26 -4.31 119.66 109.57 2i7o s GLN 14 Ca 0.08 -0.28 -0.01 0.00 -1.95 0.00 0.00 55.36 53.20 2i7o s GLN 14 Cb -0.04 0.07 -0.02 0.00 -0.22 0.00 0.00 33.01 32.80 2i7o s GLN 14 CO 0.77 -0.03 0.65 -0.06 -0.25 0.00 0.00 175.29 176.36 2i7o s PHE 15 N -0.75 3.42 -2.16 0.91 0.08 -1.26 -1.95 117.98 116.28 2i7o s PHE 15 Ca -0.08 0.43 0.17 0.00 0.12 0.00 0.00 56.93 57.57 2i7o s PHE 15 Cb -0.05 -2.14 0.70 0.00 -0.57 0.00 0.00 43.02 40.96 2i7o s PHE 15 CO -0.00 -0.14 1.50 0.27 -0.10 0.00 0.00 175.22 176.74 2i7o n ASN 16 N -2.00 1.28 -3.53 1.36 6.94 -0.71 -4.84 115.26 113.75 2i7o n ASN 16 Ca -0.02 -1.72 -0.17 0.00 -0.02 0.00 0.00 54.58 52.65 2i7o n ASN 16 Cb 0.56 -0.10 -0.06 0.00 -2.36 0.00 0.00 39.78 37.82 2i7o n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2i7o s THR 17 N -1.80 0.00 -0.16 5.53 -1.32 -1.26 -5.02 115.64 111.62 2i7o s THR 17 Ca 0.28 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.88 2i7o s THR 17 Cb 0.15 -1.00 0.24 0.00 -1.51 0.00 0.00 72.50 70.37 2i7o s THR 17 CO 0.22 0.00 1.15 -0.46 -2.21 0.00 0.00 174.62 173.32 2i7o n ASN 18 N 0.91 2.50 -3.69 8.08 0.23 -1.26 -4.83 115.26 117.20 2i7o n ASN 18 Ca -0.18 -2.66 -0.10 0.00 -0.53 0.00 0.00 54.58 51.11 2i7o n ASN 18 Cb 0.57 -0.30 -0.11 0.00 -2.08 0.00 0.00 39.78 37.87 2i7o n ASN 18 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2i7o s ALA 19 N -2.15 -1.08 -0.07 -2.53 0.00 -1.26 -1.07 121.76 113.60 2i7o s ALA 19 Ca 0.23 1.53 0.03 0.00 0.00 0.00 0.00 51.96 53.75 2i7o s ALA 19 Cb 0.19 -1.03 0.01 0.00 0.00 0.00 0.00 23.12 22.29 2i7o s ALA 19 CO 0.04 -0.38 -0.15 0.42 0.00 0.00 0.00 175.76 175.69 2i7o s ILE 20 N 1.69 1.32 -0.16 0.00 1.01 -0.05 -4.97 121.20 120.03 2i7o s ILE 20 Ca -0.08 -0.59 -0.05 0.00 0.00 0.00 0.00 60.65 59.93 2i7o s ILE 20 Cb -0.09 -1.19 -0.03 0.00 0.01 0.00 0.00 42.46 41.16 2i7o s ILE 20 CO -0.13 0.40 0.01 -0.89 0.00 0.00 0.00 174.94 174.33 2i7o s THR 21 N 0.58 4.37 -0.26 2.92 2.01 -1.26 -1.51 115.64 122.48 2i7o s THR 21 Ca -0.15 -0.19 -0.04 0.00 0.31 0.00 0.00 61.69 61.62 2i7o s THR 21 Cb -0.16 -2.94 0.02 0.00 0.01 0.00 0.00 72.50 69.43 2i7o s THR 21 CO 0.05 0.48 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.76 2i7o s VAL 22 N 0.29 3.29 0.30 3.82 1.01 -0.16 -4.97 120.40 123.97 2i7o s VAL 22 Ca 0.00 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 60.85 2i7o s VAL 22 Cb -0.13 -2.65 -0.10 0.00 0.00 0.00 0.00 36.38 33.49 2i7o s VAL 22 CO 0.01 0.19 1.39 -0.62 0.00 0.00 0.00 175.10 176.08 2i7o s ASP 23 N 1.40 6.67 0.36 3.32 3.68 -1.26 -0.37 116.67 130.48 2i7o s ASP 23 Ca 0.02 2.72 0.26 0.00 2.13 0.00 0.00 52.55 57.67 2i7o s ASP 23 Cb -0.16 -2.64 1.30 0.00 -1.45 0.00 0.00 42.92 39.97 2i7o s ASP 23 CO -0.02 -0.65 1.78 0.50 0.13 0.00 0.00 175.17 176.91 2i7o h LYS 24 N 4.10 0.00 -0.00 4.34 3.11 -1.27 -0.88 116.57 125.97 2i7o h LYS 24 Ca -0.48 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.36 2i7o h LYS 24 Cb 1.22 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.45 2i7o h LYS 24 CO 0.71 0.00 -0.01 -1.13 -2.81 0.00 0.00 179.45 176.21 2i7o n SER 25 N -2.40 0.03 -4.74 4.20 3.41 -1.26 -4.79 113.62 108.07 2i7o n SER 25 Ca -0.01 -0.35 -0.40 0.00 -0.26 0.00 0.00 58.87 57.86 2i7o n SER 25 Cb 0.10 -0.21 -0.05 0.00 -0.26 0.00 0.00 64.21 63.78 2i7o n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i7o n LYS 27 N 2.94 0.67 -3.98 0.00 4.76 -1.26 -4.67 118.16 116.63 2i7o n LYS 27 Ca -0.02 0.05 -0.10 0.00 -2.87 0.00 0.00 58.31 55.37 2i7o n LYS 27 Cb 0.50 -1.59 -0.12 0.00 -1.84 0.00 0.00 35.03 31.98 2i7o n LYS 27 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 2i7o s GLN 28 N -2.62 0.30 -0.01 1.97 -2.07 -1.26 -1.11 119.66 114.86 2i7o s GLN 28 Ca -0.08 -0.52 0.04 0.00 -1.82 0.00 0.00 55.36 52.97 2i7o s GLN 28 Cb 0.07 0.01 -0.01 0.00 -1.09 0.00 0.00 33.01 32.00 2i7o s GLN 28 CO 0.83 -0.02 -0.14 0.12 -1.32 0.00 0.00 175.29 174.77 2i7o s PHE 29 N -1.18 1.22 -0.06 9.60 5.36 -0.32 -4.86 117.98 127.74 2i7o s PHE 29 Ca -0.12 -0.23 0.05 0.00 -0.96 0.00 0.00 56.93 55.67 2i7o s PHE 29 Cb -0.08 -0.78 -0.01 0.00 -0.34 0.00 0.00 43.02 41.80 2i7o s PHE 29 CO -0.01 -0.02 -0.23 0.99 -1.46 0.00 0.00 175.22 174.49 2i7o s THR 30 N -0.31 2.25 -0.17 0.12 2.01 -0.42 -1.52 115.64 117.59 2i7o s THR 30 Ca 0.05 -1.00 -0.00 0.00 0.31 0.00 0.00 61.69 61.05 2i7o s THR 30 Cb -0.05 -1.83 0.00 0.00 0.01 0.00 0.00 72.50 70.63 2i7o s THR 30 CO -0.01 0.57 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.66 2i7o s VAL 31 N -0.22 2.61 -0.38 3.82 1.01 -0.27 -1.22 120.40 125.76 2i7o s VAL 31 Ca -0.02 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.10 2i7o s VAL 31 Cb -0.13 -2.12 0.05 0.00 0.00 0.00 0.00 36.38 34.18 2i7o s VAL 31 CO 0.03 0.51 0.20 0.20 0.00 0.00 0.00 175.10 176.03 2i7o s ASN 32 N 1.05 5.58 -0.09 3.32 0.01 -0.11 -1.67 114.94 123.03 2i7o s ASN 32 Ca -0.01 -1.22 -0.13 0.00 -0.71 0.00 0.00 52.86 50.80 2i7o s ASN 32 Cb -0.15 -1.97 -0.05 0.00 0.41 0.00 0.00 41.25 39.50 2i7o s ASN 32 CO -0.04 -0.42 0.30 -0.22 -1.51 0.00 0.00 177.10 175.21 2i7o s LEU 33 N 1.46 4.36 0.22 0.60 2.96 -0.13 -0.69 118.68 127.47 2i7o s LEU 33 Ca 0.01 0.66 0.01 0.00 -0.22 0.00 0.00 54.13 54.60 2i7o s LEU 33 Cb -0.21 -2.38 -0.05 0.00 0.50 0.00 0.00 46.19 44.05 2i7o s LEU 33 CO 0.04 0.25 0.06 -0.94 -1.32 0.00 0.00 176.35 174.43 2i7o s SER 34 N -0.41 1.19 -0.47 3.68 1.04 -0.56 -2.11 113.70 116.06 2i7o s SER 34 Ca 0.19 -1.30 0.03 0.00 0.48 0.00 0.00 55.95 55.36 2i7o s SER 34 Cb -0.14 0.15 0.16 0.00 0.10 0.00 0.00 66.02 66.29 2i7o s SER 34 CO 0.07 -0.66 0.34 -2.28 0.98 0.00 0.00 173.24 171.69 2i7o s HIS 35 N -3.72 1.67 0.76 5.02 2.46 -1.22 -1.66 115.29 118.60 2i7o s HIS 35 Ca 0.32 -2.46 -0.12 0.00 0.47 0.00 0.00 55.06 53.27 2i7o s HIS 35 Cb 0.07 -1.42 0.05 0.00 -0.13 0.00 0.00 32.58 31.16 2i7o s HIS 35 CO 0.10 -0.76 1.12 -1.25 -2.47 0.00 0.00 174.74 171.47 2i7o s PRO 36 N -0.09 2.19 0.00 2.88 0.04 -1.20 -2.45 135.00 136.38 2i7o s PRO 36 Ca 0.27 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.69 2i7o s PRO 36 Cb -0.05 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2i7o s PRO 36 CO -0.14 -1.72 0.00 0.41 0.04 0.00 0.00 177.00 175.59 2i7o n GLY 37 N -0.57 0.24 0.00 0.56 0.00 -1.26 -3.74 105.19 100.43 2i7o n GLY 37 Ca 0.10 -2.31 0.00 0.00 0.00 0.00 0.00 46.02 43.82 2i7o n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2i7o n ASN 38 N 0.01 1.34 -4.77 1.61 3.02 -1.26 -4.59 115.26 110.63 2i7o n ASN 38 Ca 0.00 -0.27 -0.40 0.00 -0.03 0.00 0.00 54.58 53.88 2i7o n ASN 38 Cb 0.00 0.81 -0.03 0.00 -0.61 0.00 0.00 39.78 39.95 2i7o n ASN 38 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2i7o s LEU 39 N -1.89 4.38 0.82 3.41 1.43 -1.26 -4.82 118.68 120.75 2i7o s LEU 39 Ca 0.00 2.41 -0.12 0.00 -1.03 0.00 0.00 54.13 55.39 2i7o s LEU 39 Cb 0.00 -3.78 0.08 0.00 0.03 0.00 0.00 46.19 42.52 2i7o s LEU 39 CO 0.00 -0.45 1.13 -2.16 0.23 0.00 0.00 176.35 175.11 2i7o s PRO 40 N -1.87 1.93 0.30 1.29 0.04 -1.26 -1.85 135.00 133.59 2i7o s PRO 40 Ca 0.50 0.34 0.04 0.00 0.04 0.00 0.00 61.00 61.93 2i7o s PRO 40 Cb -0.33 -1.93 0.67 0.00 0.04 0.00 0.00 34.50 32.95 2i7o s PRO 40 CO 0.43 -1.66 1.81 0.87 0.04 0.00 0.00 177.00 178.49 2i7o h LYS 41 N -1.11 0.83 -0.22 4.56 1.57 -1.85 -0.24 116.57 120.11 2i7o h LYS 41 Ca -0.47 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.17 2i7o h LYS 41 Cb 1.30 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 2i7o h LYS 41 CO 0.63 0.55 -0.25 -2.95 -0.57 0.00 0.00 179.45 176.86 2i7o h ASN 42 N 0.86 0.41 0.18 0.86 -1.07 -1.96 0.13 115.58 114.99 2i7o h ASN 42 Ca 0.53 -0.14 -0.35 0.00 0.07 0.00 0.00 56.30 56.41 2i7o h ASN 42 Cb 0.72 -0.11 -0.02 0.00 -2.07 0.00 0.00 38.32 36.83 2i7o h ASN 42 CO -0.31 0.67 -1.96 0.52 0.07 0.00 0.00 177.43 176.42 2i7o n VAL 43 N -4.13 1.76 -2.77 6.14 0.31 -0.99 -4.70 118.33 113.94 2i7o n VAL 43 Ca -0.00 -0.68 -0.10 0.00 -0.01 0.00 0.00 64.34 63.54 2i7o n VAL 43 Cb 0.39 -1.63 0.04 0.00 -0.91 0.00 0.00 33.84 31.74 2i7o n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2i7o n MET 44 N -3.41 1.11 -2.57 5.55 0.00 -0.14 -5.02 117.12 112.64 2i7o n MET 44 Ca -0.30 -2.94 -0.37 0.00 -0.00 0.00 0.00 57.70 54.10 2i7o n MET 44 Cb 1.05 -1.10 -0.04 0.00 0.00 0.00 0.00 33.22 33.13 2i7o n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2i7o s GLY 45 N -2.53 2.74 0.02 -5.12 0.00 0.45 -4.71 107.32 98.18 2i7o s GLY 45 Ca 0.28 0.68 0.04 0.00 0.00 0.00 0.00 44.72 45.72 2i7o s GLY 45 CO -0.01 1.12 -0.12 0.30 0.00 0.00 0.00 173.10 174.39 2i7o s HIS 46 N -1.65 1.02 0.26 1.90 3.76 -0.22 -4.69 115.29 115.67 2i7o s HIS 46 Ca 0.57 -0.29 0.01 0.00 -0.15 0.00 0.00 55.06 55.20 2i7o s HIS 46 Cb -0.22 -0.62 -0.05 0.00 1.11 0.00 0.00 32.58 32.80 2i7o s HIS 46 CO 0.27 0.00 0.11 0.54 -0.85 0.00 0.00 174.74 174.81 2i7o s ASN 47 N -0.78 1.22 -0.20 1.40 2.20 -1.26 -0.35 114.94 117.17 2i7o s ASN 47 Ca 0.01 -1.41 0.01 0.00 -0.94 0.00 0.00 52.86 50.54 2i7o s ASN 47 Cb -0.06 0.20 0.04 0.00 -2.00 0.00 0.00 41.25 39.43 2i7o s ASN 47 CO 0.00 -0.76 -0.13 0.86 -2.94 0.00 0.00 177.10 174.13 2i7o s TRP 48 N -3.74 2.68 -0.03 1.54 -0.11 -1.26 -4.03 118.94 113.98 2i7o s TRP 48 Ca 0.37 -1.75 0.05 0.00 1.22 0.00 0.00 56.10 56.00 2i7o s TRP 48 Cb 0.07 -1.77 -0.01 0.00 -1.50 0.00 0.00 33.47 30.26 2i7o s TRP 48 CO 0.14 -0.79 -0.18 0.08 -4.62 0.00 0.00 176.95 171.58 2i7o s VAL 49 N 1.31 1.51 -0.10 5.86 1.01 0.02 -1.37 120.40 128.64 2i7o s VAL 49 Ca -0.01 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.23 2i7o s VAL 49 Cb -0.16 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 34.94 2i7o s VAL 49 CO -0.09 0.43 -0.22 -0.22 0.00 0.00 0.00 175.10 175.01 2i7o s LEU 50 N -0.14 2.01 0.35 3.92 2.96 -0.26 -1.05 118.68 126.46 2i7o s LEU 50 Ca -0.00 -0.52 -0.09 0.00 -0.22 0.00 0.00 54.13 53.30 2i7o s LEU 50 Cb -0.10 -1.31 0.02 0.00 0.50 0.00 0.00 46.19 45.30 2i7o s LEU 50 CO 0.01 0.13 0.60 -0.94 -1.32 0.00 0.00 176.35 174.83 2i7o s SER 51 N 0.46 0.45 0.69 3.68 1.04 -0.78 -0.88 113.70 118.37 2i7o s SER 51 Ca -0.17 -1.28 -0.11 0.00 0.48 0.00 0.00 55.95 54.88 2i7o s SER 51 Cb -0.17 0.73 0.01 0.00 0.10 0.00 0.00 66.02 66.68 2i7o s SER 51 CO 0.07 -1.42 1.06 0.42 0.98 0.00 0.00 173.24 174.34 2i7o s THR 52 N -2.92 4.03 0.21 2.02 -4.23 -1.26 -0.79 115.64 112.71 2i7o s THR 52 Ca 0.24 0.66 -0.09 0.00 -1.18 0.00 0.00 61.69 61.31 2i7o s THR 52 Cb -0.02 -3.41 0.15 0.00 1.34 0.00 0.00 72.50 70.55 2i7o s THR 52 CO 0.15 -0.86 1.83 0.00 -0.54 0.00 0.00 174.62 175.20 2i7o h ALA 53 N -0.71 0.93 -0.05 3.99 0.00 -1.33 -2.02 119.26 120.07 2i7o h ALA 53 Ca -0.44 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 2i7o h ALA 53 Cb 1.21 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2i7o h ALA 53 CO 0.57 0.15 0.03 0.00 0.00 0.00 0.00 179.25 180.00 2i7o h ALA 54 N 1.33 1.96 0.00 0.00 0.00 -1.92 -2.78 119.26 117.85 2i7o h ALA 54 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2i7o h ALA 54 Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2i7o h ALA 54 CO -0.15 0.04 -0.77 -0.25 0.00 0.00 0.00 179.25 178.12 2i7o n ASP 55 N -4.53 0.64 -0.05 0.00 8.00 -0.82 -4.55 116.55 115.24 2i7o n ASP 55 Ca -0.02 -0.33 -0.09 0.00 0.71 0.00 0.00 54.79 55.06 2i7o n ASP 55 Cb 0.09 0.55 -0.02 0.00 -0.02 0.00 0.00 41.12 41.72 2i7o n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 2i7o h MET 56 N 0.00 -0.27 -0.58 -1.24 4.05 -1.11 -1.28 114.93 114.50 2i7o h MET 56 Ca 0.00 0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.49 2i7o h MET 56 Cb 0.60 0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.41 2i7o h MET 56 CO 0.00 -0.18 0.31 0.37 0.23 0.00 0.00 176.91 177.63 2i7o h GLN 57 N -0.28 0.57 -0.78 0.39 5.75 -1.80 -0.54 115.11 118.42 2i7o h GLN 57 Ca 0.14 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.56 2i7o h GLN 57 Cb 0.50 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.88 2i7o h GLN 57 CO -0.41 0.37 0.30 0.78 -2.65 0.00 0.00 178.83 177.22 2i7o h GLY 58 N 0.58 1.25 1.02 2.39 0.00 -1.74 0.07 103.07 106.64 2i7o h GLY 58 Ca 0.25 -0.69 -0.08 0.00 0.00 0.00 0.00 47.33 46.82 2i7o h GLY 58 CO -0.17 0.65 -0.01 -2.08 0.00 0.00 0.00 176.54 174.93 2i7o h VAL 59 N 1.13 1.26 -0.13 4.60 2.07 -0.71 -1.26 116.25 123.22 2i7o h VAL 59 Ca 0.26 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 2i7o h VAL 59 Cb 0.23 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2i7o h VAL 59 CO -0.02 0.39 0.01 0.58 0.02 0.00 0.00 177.57 178.55 2i7o h VAL 60 N 0.76 1.24 -0.32 2.57 2.07 -0.83 -0.36 116.25 121.37 2i7o h VAL 60 Ca 0.14 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 2i7o h VAL 60 Cb 0.53 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 2i7o h VAL 60 CO 0.03 0.22 0.16 0.74 0.02 0.00 0.00 177.57 178.74 2i7o h THR 61 N -0.02 1.15 0.00 2.57 2.02 -0.95 -1.96 112.91 115.72 2i7o h THR 61 Ca 0.04 -0.42 -0.08 0.00 0.77 0.00 0.00 66.41 66.71 2i7o h THR 61 Cb 0.33 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 2i7o h THR 61 CO 0.00 0.16 -0.39 0.44 0.37 0.00 0.00 175.52 176.10 2i7o h ASP 62 N 0.39 0.00 -0.16 4.18 3.32 -1.25 -2.82 116.42 120.09 2i7o h ASP 62 Ca 0.11 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 2i7o h ASP 62 Cb 0.10 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2i7o h ASP 62 CO -0.02 0.39 0.05 1.23 -1.72 0.00 0.00 179.24 179.18 2i7o h GLY 63 N 1.58 0.27 0.82 2.75 0.00 -0.65 -1.72 103.07 106.12 2i7o h GLY 63 Ca -0.00 -0.16 0.04 0.00 0.00 0.00 0.00 47.33 47.21 2i7o h GLY 63 CO 0.05 0.15 0.44 1.98 0.00 0.00 0.00 176.54 179.16 2i7o h MET 64 N 0.08 0.82 0.00 4.80 1.85 -1.25 -1.66 114.93 119.57 2i7o h MET 64 Ca 0.05 -0.05 -0.02 0.00 -0.61 0.00 0.00 59.70 59.07 2i7o h MET 64 Cb 0.22 -0.19 -0.00 0.00 0.43 0.00 0.00 31.60 32.06 2i7o h MET 64 CO -0.00 0.55 -0.08 0.00 -0.40 0.00 0.00 176.91 176.97 2i7o h ALA 65 N 1.32 1.56 0.00 0.39 0.00 -1.24 -2.64 119.26 118.66 2i7o h ALA 65 Ca 0.30 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 2i7o h ALA 65 Cb 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2i7o h ALA 65 CO -0.13 0.10 -0.41 0.77 0.00 0.00 0.00 179.25 179.59 2i7o h SER 66 N 0.00 0.00 -4.58 0.00 0.02 -0.37 -3.50 113.55 105.13 2i7o h SER 66 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2i7o h SER 66 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2i7o h SER 66 CO 0.01 0.41 0.00 0.61 -1.14 0.00 0.00 176.83 176.72 2i7o n GLY 67 N 0.31 0.18 0.35 -3.77 0.00 -1.00 -4.35 105.19 96.91 2i7o n GLY 67 Ca -0.00 -1.70 0.06 0.00 0.00 0.00 0.00 46.02 44.37 2i7o n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2i7o h LEU 68 N 0.00 0.69 -0.34 0.99 5.85 -1.90 0.14 115.31 120.74 2i7o h LEU 68 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2i7o h LEU 68 Cb 0.00 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.88 2i7o h LEU 68 CO 0.00 0.45 0.00 0.47 -0.34 0.00 0.00 178.44 179.02 2i7o n ASP 69 N -4.47 0.27 -0.55 1.25 9.92 -1.26 -0.82 116.55 120.89 2i7o n ASP 69 Ca 0.10 0.58 0.08 0.00 -0.53 0.00 0.00 54.79 55.02 2i7o n ASP 69 Cb 0.20 -0.63 0.20 0.00 -0.64 0.00 0.00 41.12 40.25 2i7o n ASP 69 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2i7o n LYS 70 N -1.81 2.06 -2.91 -1.24 5.02 -0.60 -4.94 118.16 113.73 2i7o n LYS 70 Ca 0.02 -2.78 -0.20 0.00 -2.02 0.00 0.00 58.31 53.33 2i7o n LYS 70 Cb 0.16 -1.68 0.01 0.00 -0.02 0.00 0.00 35.03 33.50 2i7o n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2i7o n ASP 71 N -0.99 -4.82 -3.93 4.39 9.92 -0.00 -2.20 116.55 118.93 2i7o n ASP 71 Ca 0.20 -0.17 -0.29 0.00 -0.53 0.00 0.00 54.79 54.00 2i7o n ASP 71 Cb 0.79 -3.97 0.01 0.00 -0.64 0.00 0.00 41.12 37.31 2i7o n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2i7o n TYR 72 N -4.00 -2.06 -3.74 1.24 4.01 0.39 -4.74 117.16 108.27 2i7o n TYR 72 Ca -0.11 0.86 -0.14 0.00 -0.16 0.00 0.00 57.90 58.36 2i7o n TYR 72 Cb 0.60 -3.88 -0.14 0.00 -0.31 0.00 0.00 39.34 35.61 2i7o n TYR 72 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2i7o s LEU 73 N -7.12 0.58 0.10 7.72 2.96 -0.93 -4.14 118.68 117.84 2i7o s LEU 73 Ca 0.46 0.36 -0.31 0.00 -0.22 0.00 0.00 54.13 54.42 2i7o s LEU 73 Cb -0.24 0.44 -0.09 0.00 0.50 0.00 0.00 46.19 46.81 2i7o s LEU 73 CO 0.85 -0.16 1.64 -0.75 -1.32 0.00 0.00 176.35 176.61 2i7o s LYS 74 N 1.29 4.20 0.51 1.98 2.20 -1.26 -4.88 119.74 123.78 2i7o s LYS 74 Ca -0.08 2.36 -0.22 0.00 -0.36 0.00 0.00 55.97 57.67 2i7o s LYS 74 Cb -0.11 -3.48 -0.07 0.00 -1.51 0.00 0.00 37.83 32.66 2i7o s LYS 74 CO -0.07 -0.71 1.22 -2.30 -0.36 0.00 0.00 175.35 173.13 2i7o n PRO 75 N 5.16 1.55 -3.95 4.03 -0.02 -1.26 -2.85 135.00 137.66 2i7o n PRO 75 Ca 0.15 0.57 -0.32 0.00 -2.02 0.00 0.00 63.50 61.88 2i7o n PRO 75 Cb 0.40 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.46 2i7o n PRO 75 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2i7o n ASP 76 N -0.49 -3.04 -4.61 2.55 3.85 -1.26 -4.88 116.55 108.68 2i7o n ASP 76 Ca 0.10 -0.80 -0.43 0.00 -0.71 0.00 0.00 54.79 52.95 2i7o n ASP 76 Cb 0.43 -2.52 -0.03 0.00 -1.35 0.00 0.00 41.12 37.66 2i7o n ASP 76 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2i7o s ASP 77 N -3.05 6.15 0.02 -1.12 -1.08 -1.13 -4.86 116.67 111.60 2i7o s ASP 77 Ca 0.63 1.33 0.12 0.00 -0.52 0.00 0.00 52.55 54.11 2i7o s ASP 77 Cb -0.35 -2.53 0.53 0.00 -1.46 0.00 0.00 42.92 39.11 2i7o s ASP 77 CO 0.78 -1.50 1.39 -1.54 0.52 0.00 0.00 175.17 174.82 2i7o n SER 78 N 9.37 0.06 0.17 -0.34 3.41 -1.26 -2.14 113.62 122.88 2i7o n SER 78 Ca 0.20 0.52 0.12 0.00 -0.26 0.00 0.00 58.87 59.45 2i7o n SER 78 Cb 0.46 -0.53 0.10 0.00 -0.26 0.00 0.00 64.21 63.99 2i7o n SER 78 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2i7o h ARG 79 N 0.00 0.00 -5.97 4.33 3.08 -1.98 -3.45 114.38 110.40 2i7o h ARG 79 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 2i7o h ARG 79 Cb 0.20 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.17 2i7o h ARG 79 CO 0.00 0.00 0.59 0.08 -1.07 0.00 0.00 179.97 179.57 2i7o s VAL 80 N -3.27 4.70 -0.04 2.04 1.01 -0.91 -4.49 120.40 119.44 2i7o s VAL 80 Ca 0.04 1.51 0.13 0.00 0.00 0.00 0.00 61.98 63.65 2i7o s VAL 80 Cb 0.07 -4.24 -0.17 0.00 0.00 0.00 0.00 36.38 32.04 2i7o s VAL 80 CO 0.72 -0.28 0.92 -0.29 0.00 0.00 0.00 175.10 176.17 2i7o h ILE 81 N 5.60 0.94 -2.04 2.22 6.09 -1.32 -3.48 117.51 125.52 2i7o h ILE 81 Ca -0.22 -2.61 -0.05 0.00 -1.37 0.00 0.00 64.86 60.60 2i7o h ILE 81 Cb 1.08 2.41 -0.20 0.00 0.47 0.00 0.00 36.82 40.58 2i7o h ILE 81 CO 0.94 0.53 0.14 0.00 -3.07 0.00 0.00 178.15 176.69 2i7o s ALA 82 N -2.75 -1.73 -0.04 0.18 0.00 -1.22 -4.93 121.76 111.27 2i7o s ALA 82 Ca -0.02 1.61 -0.23 0.00 0.00 0.00 0.00 51.96 53.33 2i7o s ALA 82 Cb 0.09 -0.55 0.05 0.00 0.00 0.00 0.00 23.12 22.71 2i7o s ALA 82 CO 0.81 -0.35 0.50 1.14 0.00 0.00 0.00 175.76 177.86 2i7o s GLN 83 N -0.45 0.85 0.43 0.00 -2.07 -1.26 -1.11 119.66 116.06 2i7o s GLN 83 Ca -0.06 0.08 0.07 0.00 -1.82 0.00 0.00 55.36 53.63 2i7o s GLN 83 Cb -0.02 0.39 -0.02 0.00 -1.09 0.00 0.00 33.01 32.26 2i7o s GLN 83 CO 0.06 -0.25 0.31 0.95 -1.32 0.00 0.00 175.29 175.04 2i7o s THR 84 N -1.16 2.38 0.79 3.63 -4.23 -0.47 -4.81 115.64 111.77 2i7o s THR 84 Ca -0.11 -1.49 -0.12 0.00 -1.18 0.00 0.00 61.69 58.78 2i7o s THR 84 Cb -0.03 -2.88 0.07 0.00 1.34 0.00 0.00 72.50 71.00 2i7o s THR 84 CO 0.07 0.00 1.13 -1.59 -0.54 0.00 0.00 174.62 173.69 2i7o s LYS 85 N -4.07 2.14 -0.10 3.99 -2.85 -1.26 -4.52 119.74 113.07 2i7o s LYS 85 Ca 0.43 0.37 -0.28 0.00 -1.00 0.00 0.00 55.97 55.50 2i7o s LYS 85 Cb -0.00 -1.95 -0.02 0.00 -2.06 0.00 0.00 37.83 33.80 2i7o s LYS 85 CO 0.25 -1.52 0.93 -1.17 0.10 0.00 0.00 175.35 173.93 2i7o s LEU 86 N -5.63 4.26 0.13 2.77 2.96 -1.26 -4.47 118.68 117.43 2i7o s LEU 86 Ca 0.61 1.43 0.10 0.00 -0.22 0.00 0.00 54.13 56.05 2i7o s LEU 86 Cb -0.12 -3.43 -0.04 0.00 0.50 0.00 0.00 46.19 43.10 2i7o s LEU 86 CO 0.52 -0.37 -0.24 0.27 -1.32 0.00 0.00 176.35 175.20 2i7o s ILE 87 N 1.76 2.07 0.57 6.68 -4.36 0.53 -4.87 121.20 123.59 2i7o s ILE 87 Ca 0.45 -1.73 0.08 0.00 -0.26 0.00 0.00 60.65 59.20 2i7o s ILE 87 Cb -0.18 -1.86 0.07 0.00 1.25 0.00 0.00 42.46 41.74 2i7o s ILE 87 CO 0.18 -0.00 0.67 -0.83 0.24 0.00 0.00 174.94 175.20 2i7o s GLY 88 N -2.11 1.94 0.30 6.27 0.00 -1.26 -1.05 107.32 111.40 2i7o s GLY 88 Ca 0.12 -1.86 -0.29 0.00 0.00 0.00 0.00 44.72 42.69 2i7o s GLY 88 CO 0.06 -1.77 1.39 1.44 0.00 0.00 0.00 173.10 174.22 2i7o n SER 89 N -2.09 3.01 0.00 1.64 7.64 -0.77 -1.99 113.62 121.05 2i7o n SER 89 Ca 0.10 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.16 2i7o n SER 89 Cb 0.62 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 2i7o n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2i7o n GLY 90 N 1.43 2.57 3.99 0.23 0.00 -1.02 -4.96 105.19 107.42 2i7o n GLY 90 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 2i7o n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2i7o s GLU 91 N -0.50 2.55 0.13 1.61 2.02 -0.84 -4.96 118.70 118.70 2i7o s GLU 91 Ca 0.00 -0.99 -0.14 0.00 0.02 0.00 0.00 54.97 53.87 2i7o s GLU 91 Cb 0.00 -2.56 0.02 0.00 0.10 0.00 0.00 34.13 31.69 2i7o s GLU 91 CO 0.00 -0.65 0.35 0.15 0.02 0.00 0.00 175.26 175.13 2i7o s LYS 92 N -4.67 1.05 -0.16 1.61 1.02 -1.26 -3.46 119.74 113.86 2i7o s LYS 92 Ca 0.58 -0.83 -0.29 0.00 0.02 0.00 0.00 55.97 55.45 2i7o s LYS 92 Cb -0.10 0.43 0.10 0.00 -0.52 0.00 0.00 37.83 37.74 2i7o s LYS 92 CO 0.37 -0.39 0.84 0.34 -0.92 0.00 0.00 175.35 175.59 2i7o s ASP 93 N -2.84 -0.56 0.13 2.83 2.15 -0.90 -5.03 116.67 112.46 2i7o s ASP 93 Ca 0.05 0.80 0.08 0.00 0.43 0.00 0.00 52.55 53.91 2i7o s ASP 93 Cb 0.02 0.71 -0.04 0.00 -0.30 0.00 0.00 42.92 43.32 2i7o s ASP 93 CO -0.10 -0.38 -0.18 -0.44 -0.17 0.00 0.00 175.17 173.90 2i7o s SER 94 N -0.61 2.46 -0.02 -0.34 0.01 -1.26 -0.95 113.70 112.99 2i7o s SER 94 Ca -0.04 -0.79 -0.02 0.00 1.31 0.00 0.00 55.95 56.42 2i7o s SER 94 Cb -0.02 -0.13 0.01 0.00 0.21 0.00 0.00 66.02 66.09 2i7o s SER 94 CO 0.03 -0.03 0.05 0.54 0.41 0.00 0.00 173.24 174.24 2i7o s VAL 95 N -1.76 -0.00 -0.05 3.43 0.11 -0.67 -4.94 120.40 116.52 2i7o s VAL 95 Ca 0.11 0.01 0.06 0.00 -2.93 0.00 0.00 61.98 59.22 2i7o s VAL 95 Cb -0.07 -0.08 -0.01 0.00 -1.53 0.00 0.00 36.38 34.69 2i7o s VAL 95 CO 0.05 0.00 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.70 2i7o s THR 96 N 0.07 1.87 0.07 5.04 2.01 -1.26 -1.12 115.64 122.32 2i7o s THR 96 Ca -0.00 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 61.03 2i7o s THR 96 Cb -0.01 -1.58 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 2i7o s THR 96 CO -0.00 0.52 -0.05 0.72 -0.69 0.00 0.00 174.62 175.12 2i7o s PHE 97 N -0.18 0.71 -0.02 4.92 -0.71 -0.57 -4.95 117.98 117.17 2i7o s PHE 97 Ca -0.02 -0.97 -0.30 0.00 -1.04 0.00 0.00 56.93 54.61 2i7o s PHE 97 Cb -0.12 -0.45 -0.03 0.00 -1.21 0.00 0.00 43.02 41.20 2i7o s PHE 97 CO 0.03 -0.25 1.07 -0.51 -1.34 0.00 0.00 175.22 174.21 2i7o s ASP 98 N -2.93 7.22 0.60 1.98 1.01 -1.26 -1.17 116.67 122.12 2i7o s ASP 98 Ca 0.09 1.73 0.36 0.00 0.71 0.00 0.00 52.55 55.43 2i7o s ASP 98 Cb 0.06 -2.57 1.92 0.00 1.01 0.00 0.00 42.92 43.34 2i7o s ASP 98 CO -0.07 -0.40 2.23 0.58 0.21 0.00 0.00 175.17 177.71 2i7o h VAL 99 N 4.85 0.27 0.00 -1.27 2.07 -1.39 -1.63 116.25 119.15 2i7o h VAL 99 Ca -0.38 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2i7o h VAL 99 Cb 1.19 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 2i7o h VAL 99 CO 0.81 0.03 0.00 0.77 0.02 0.00 0.00 177.57 179.20 2i7o h SER 100 N 0.00 0.00 1.31 0.57 4.64 -1.89 -1.07 113.55 117.11 2i7o h SER 100 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2i7o h SER 100 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2i7o h SER 100 CO 0.00 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 176.07 2i7o h LYS 101 N 0.00 0.00 -5.51 4.77 1.57 -1.68 -3.38 116.57 112.34 2i7o h LYS 101 Ca 0.00 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 58.09 2i7o h LYS 101 Cb 0.16 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.38 2i7o h LYS 101 CO 0.00 0.00 2.24 1.28 -0.57 0.00 0.00 179.45 182.40 2i7o n LEU 102 N -2.88 5.22 -4.64 2.94 4.77 -0.41 -4.97 117.00 117.04 2i7o n LEU 102 Ca 0.02 -4.00 -0.42 0.00 -0.03 0.00 0.00 56.01 51.57 2i7o n LEU 102 Cb 0.37 -1.72 -0.00 0.00 -2.33 0.00 0.00 43.42 39.74 2i7o n LEU 102 CO 0.28 0.33 0.69 0.29 -1.33 0.00 0.00 177.39 177.66 2i7o n LYS 103 N 7.81 1.61 -1.75 3.23 4.76 -1.26 -4.92 118.16 127.64 2i7o n LYS 103 Ca 0.48 0.57 -0.42 0.00 -2.87 0.00 0.00 58.31 56.08 2i7o n LYS 103 Cb 0.45 -2.10 -0.01 0.00 -1.84 0.00 0.00 35.03 31.53 2i7o n LYS 103 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2i7o n GLU 104 N 0.39 2.66 -2.33 1.97 4.07 -1.26 -2.59 120.64 123.54 2i7o n GLU 104 Ca 0.08 0.94 -0.10 0.00 -0.06 0.00 0.00 57.16 58.02 2i7o n GLU 104 Cb 0.36 -2.69 0.00 0.00 -0.06 0.00 0.00 31.44 29.05 2i7o n GLU 104 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2i7o n GLY 105 N 1.42 0.04 3.03 8.31 0.00 -1.26 -5.03 105.19 111.70 2i7o n GLY 105 Ca 0.05 -0.45 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 2i7o n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2i7o s GLU 106 N -4.69 1.10 -0.27 1.61 0.41 -1.07 -5.12 118.70 110.67 2i7o s GLU 106 Ca 0.05 -0.36 -0.11 0.00 -0.41 0.00 0.00 54.97 54.14 2i7o s GLU 106 Cb -0.02 -1.01 -0.05 0.00 -1.78 0.00 0.00 34.13 31.27 2i7o s GLU 106 CO 0.06 0.15 0.18 -1.14 -0.49 0.00 0.00 175.26 174.01 2i7o s GLN 107 N 0.13 3.93 0.00 1.61 2.00 -1.26 -4.91 119.66 121.16 2i7o s GLN 107 Ca -0.03 -0.33 -0.09 0.00 -2.00 0.00 0.00 55.36 52.91 2i7o s GLN 107 Cb -0.09 -3.62 -0.05 0.00 0.80 0.00 0.00 33.01 30.05 2i7o s GLN 107 CO 0.01 -0.17 0.30 0.71 -0.50 0.00 0.00 175.29 175.64 2i7o s TYR 108 N 1.71 3.61 0.03 1.67 2.02 -1.25 -0.87 117.35 124.28 2i7o s TYR 108 Ca 0.07 0.69 0.07 0.00 -0.37 0.00 0.00 57.07 57.53 2i7o s TYR 108 Cb -0.16 -2.08 -0.02 0.00 -0.40 0.00 0.00 41.96 39.30 2i7o s TYR 108 CO 0.10 0.62 -0.20 -1.64 -1.57 0.00 0.00 175.55 172.86 2i7o s MET 109 N -1.55 1.42 0.08 -0.62 -1.94 0.03 -1.49 119.30 115.23 2i7o s MET 109 Ca 0.26 -0.89 0.08 0.00 -1.71 0.00 0.00 55.69 53.43 2i7o s MET 109 Cb -0.14 -1.49 -0.04 0.00 2.01 0.00 0.00 34.83 35.17 2i7o s MET 109 CO 0.14 0.39 -0.16 -0.59 -0.01 0.00 0.00 175.02 174.78 2i7o s PHE 110 N -0.74 2.59 0.17 -0.03 -0.12 -0.52 -1.86 117.98 117.47 2i7o s PHE 110 Ca 0.07 -0.24 -0.24 0.00 -0.05 0.00 0.00 56.93 56.47 2i7o s PHE 110 Cb -0.09 -1.42 0.06 0.00 -0.63 0.00 0.00 43.02 40.95 2i7o s PHE 110 CO 0.01 0.34 0.92 -0.59 -0.05 0.00 0.00 175.22 175.85 2i7o s PHE 111 N -1.06 -0.14 -0.11 3.49 -0.71 -0.22 -1.32 117.98 117.91 2i7o s PHE 111 Ca 0.17 -0.18 -0.04 0.00 -1.04 0.00 0.00 56.93 55.84 2i7o s PHE 111 Cb -0.11 0.65 -0.04 0.00 -1.21 0.00 0.00 43.02 42.32 2i7o s PHE 111 CO 0.09 -0.88 0.05 0.00 -1.34 0.00 0.00 175.22 173.13 2i7o n THR 113 N 2.39 0.41 -1.83 0.00 -2.24 -1.26 -3.47 114.28 108.27 2i7o n THR 113 Ca -0.19 -0.65 -0.41 0.00 -2.27 0.00 0.00 64.05 60.53 2i7o n THR 113 Cb 0.54 0.91 -0.01 0.00 -2.10 0.00 0.00 70.33 69.67 2i7o n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2i7o s PHE 114 N -1.59 2.72 -0.48 4.78 2.19 -1.26 -4.43 117.98 119.90 2i7o s PHE 114 Ca 0.37 1.03 -0.44 0.00 0.33 0.00 0.00 56.93 58.22 2i7o s PHE 114 Cb 0.22 -4.00 -0.19 0.00 -1.31 0.00 0.00 43.02 37.74 2i7o s PHE 114 CO 0.31 -3.11 1.81 -2.30 1.83 0.00 0.00 175.22 173.75 2i7o n PRO 115 N 1.29 0.00 0.00 10.12 -0.02 -1.26 -1.38 135.00 143.74 2i7o n PRO 115 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 2i7o n PRO 115 Cb 0.39 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 2i7o n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2i7o n GLY 116 N 5.55 3.02 0.28 -1.23 0.00 -1.26 -4.91 105.19 106.65 2i7o n GLY 116 Ca 0.42 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.46 2i7o n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2i7o h HIS 117 N 0.00 0.44 0.00 1.61 3.86 -1.50 -2.78 115.15 116.78 2i7o h HIS 117 Ca 0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2i7o h HIS 117 Cb 0.00 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.33 2i7o h HIS 117 CO 0.00 0.37 0.02 -1.13 0.86 0.00 0.00 177.93 178.05 2i7o n SER 118 N -4.40 0.34 -0.28 2.45 3.41 -1.23 -0.15 113.62 113.77 2i7o n SER 118 Ca 0.02 0.65 -0.00 0.00 -0.26 0.00 0.00 58.87 59.27 2i7o n SER 118 Cb 0.14 -0.69 0.20 0.00 -0.26 0.00 0.00 64.21 63.60 2i7o n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i7o h ALA 119 N 1.94 1.40 0.00 7.33 0.00 -1.85 -3.30 119.26 124.78 2i7o h ALA 119 Ca 0.00 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2i7o h ALA 119 Cb 0.04 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 2i7o h ALA 119 CO 0.00 0.55 -1.40 1.28 0.00 0.00 0.00 179.25 179.68 2i7o n LEU 120 N -4.41 0.00 -4.43 0.00 4.77 -0.55 -4.88 117.00 107.51 2i7o n LEU 120 Ca 0.10 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.64 2i7o n LEU 120 Cb 0.04 0.14 -0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2i7o n LEU 120 CO 0.36 0.14 1.21 -0.04 -1.33 0.00 0.00 177.39 177.74 2i7o s MET 121 N -2.15 4.12 0.13 3.23 -1.94 0.79 -4.72 119.30 118.77 2i7o s MET 121 Ca -0.03 -2.76 -0.11 0.00 -1.71 0.00 0.00 55.69 51.08 2i7o s MET 121 Cb 0.02 -4.92 0.01 0.00 2.01 0.00 0.00 34.83 31.95 2i7o s MET 121 CO 0.24 -1.61 0.29 1.67 -0.01 0.00 0.00 175.02 175.60 2i7o s TRP 122 N 0.76 0.15 0.03 -0.03 1.48 -1.26 -2.65 118.94 117.41 2i7o s TRP 122 Ca 0.39 -0.52 -0.29 0.00 -1.06 0.00 0.00 56.10 54.62 2i7o s TRP 122 Cb -0.05 0.04 0.10 0.00 -1.16 0.00 0.00 33.47 32.41 2i7o s TRP 122 CO -0.02 -0.67 1.16 0.20 -4.06 0.00 0.00 176.95 173.56 2i7o s GLY 123 N -2.89 -0.35 -0.06 3.67 0.00 -0.43 -4.61 107.32 102.65 2i7o s GLY 123 Ca 0.09 0.60 -0.05 0.00 0.00 0.00 0.00 44.72 45.36 2i7o s GLY 123 CO -0.07 0.13 0.17 0.30 0.00 0.00 0.00 173.10 173.63 2i7o s HIS 124 N -2.73 3.58 -0.22 1.90 3.76 -0.23 -1.43 115.29 119.91 2i7o s HIS 124 Ca 0.13 0.47 0.02 0.00 -0.15 0.00 0.00 55.06 55.52 2i7o s HIS 124 Cb 0.02 -1.90 0.04 0.00 1.11 0.00 0.00 32.58 31.85 2i7o s HIS 124 CO -0.02 0.69 -0.13 -1.17 -0.85 0.00 0.00 174.74 173.26 2i7o s LEU 125 N -1.47 2.74 0.04 0.89 0.20 -0.56 -0.88 118.68 119.65 2i7o s LEU 125 Ca 0.21 -1.04 0.09 0.00 0.69 0.00 0.00 54.13 54.08 2i7o s LEU 125 Cb -0.12 -1.44 -0.03 0.00 -0.43 0.00 0.00 46.19 44.17 2i7o s LEU 125 CO 0.11 -0.12 -0.24 0.42 -0.29 0.00 0.00 176.35 176.22 2i7o s THR 126 N 1.24 1.98 -0.12 3.68 -4.23 -0.57 -3.79 115.64 113.82 2i7o s THR 126 Ca -0.03 -1.31 -0.16 0.00 -1.18 0.00 0.00 61.69 59.01 2i7o s THR 126 Cb -0.17 -1.70 -0.05 0.00 1.34 0.00 0.00 72.50 71.93 2i7o s THR 126 CO -0.08 0.32 0.38 -0.22 -0.54 0.00 0.00 174.62 174.49 2i7o s LEU 127 N -1.19 4.29 0.00 4.79 0.20 -1.26 -0.99 118.68 124.52 2i7o s LEU 127 Ca 0.10 0.69 0.00 0.00 0.69 0.00 0.00 54.13 55.62 2i7o s LEU 127 Cb -0.10 -2.53 0.00 0.00 -0.43 0.00 0.00 46.19 43.13 2i7o s LEU 127 CO 0.02 0.09 0.00 2.29 -0.29 0.00 0.00 176.35 178.46