#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a7i n GLN 14 N 0.00 0.73 -0.39 0.03 1.13 -1.26 -3.20 117.38 114.42 3a7i n GLN 14 Ca 0.00 0.00 0.04 0.00 -1.94 0.00 0.00 57.00 55.10 3a7i n GLN 14 Cb 0.00 -1.50 0.06 0.00 0.11 0.00 0.00 30.24 28.91 3a7i n GLN 14 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3a7i n ASN 15 N -1.01 1.02 -4.72 1.08 5.15 -1.26 -5.07 115.26 110.45 3a7i n ASN 15 Ca 0.18 -2.49 -0.42 0.00 -0.60 0.00 0.00 54.58 51.24 3a7i n ASN 15 Cb 0.08 -0.31 -0.01 0.00 -0.53 0.00 0.00 39.78 39.02 3a7i n ASN 15 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 3a7i n LEU 16 N -0.57 3.91 -4.82 1.20 7.94 -1.19 -4.79 117.00 118.68 3a7i n LEU 16 Ca 0.07 1.21 -0.26 0.00 -1.11 0.00 0.00 56.01 55.92 3a7i n LEU 16 Cb 0.70 -1.53 -0.04 0.00 0.53 0.00 0.00 43.42 43.08 3a7i n LEU 16 CO 0.00 -0.27 -0.08 -0.54 -1.11 0.00 0.00 177.39 175.39 3a7i s LYS 17 N -1.80 2.26 0.26 1.96 3.01 -0.07 -5.00 119.74 120.36 3a7i s LYS 17 Ca 0.56 -1.98 0.02 0.00 -1.01 0.00 0.00 55.97 53.56 3a7i s LYS 17 Cb -0.54 -1.99 -0.04 0.00 -1.01 0.00 0.00 37.83 34.25 3a7i s LYS 17 CO 0.61 -0.36 0.14 0.00 0.51 0.00 0.00 175.35 176.26 3a7i s ALA 18 N -2.70 1.67 -0.94 5.17 0.00 -1.26 -1.34 121.76 122.36 3a7i s ALA 18 Ca 0.33 -1.79 -0.08 0.00 0.00 0.00 0.00 51.96 50.42 3a7i s ALA 18 Cb 0.01 1.21 -0.01 0.00 0.00 0.00 0.00 23.12 24.33 3a7i s ALA 18 CO 0.19 -0.53 0.74 -0.25 0.00 0.00 0.00 175.76 175.91 3a7i n ASP 19 N -0.66 -6.13 0.12 0.00 8.00 -1.23 -4.88 116.55 111.77 3a7i n ASP 19 Ca 0.01 -0.68 -0.02 0.00 0.71 0.00 0.00 54.79 54.81 3a7i n ASP 19 Cb 0.65 -3.78 0.21 0.00 -0.02 0.00 0.00 41.12 38.18 3a7i n ASP 19 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3a7i h PRO 20 N -0.73 0.13 0.00 -0.24 0.13 -1.93 -2.86 132.00 126.50 3a7i h PRO 20 Ca -0.45 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 3a7i h PRO 20 Cb 1.25 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3a7i h PRO 20 CO 0.40 0.61 0.00 0.39 -0.23 0.00 0.00 178.00 179.17 3a7i n GLU 21 N -3.94 0.06 0.07 0.86 1.02 -1.26 -0.52 120.64 116.93 3a7i n GLU 21 Ca -0.02 0.28 0.13 0.00 -0.02 0.00 0.00 57.16 57.53 3a7i n GLU 21 Cb 0.54 -1.50 0.33 0.00 -0.02 0.00 0.00 31.44 30.79 3a7i n GLU 21 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3a7i n GLU 22 N -1.39 0.23 0.00 3.49 -0.58 -1.08 -4.09 120.64 117.22 3a7i n GLU 22 Ca 0.03 0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 3a7i n GLU 22 Cb 0.08 -1.71 0.00 0.00 -0.57 0.00 0.00 31.44 29.24 3a7i n GLU 22 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3a7i n LEU 23 N -2.07 0.00 -4.12 -4.62 4.77 0.32 -4.97 117.00 106.30 3a7i n LEU 23 Ca 0.05 -0.17 -0.14 0.00 -0.03 0.00 0.00 56.01 55.72 3a7i n LEU 23 Cb 0.42 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.40 3a7i n LEU 23 CO 0.33 0.00 -0.41 -0.36 -1.33 0.00 0.00 177.39 175.61 3a7i s PHE 24 N -1.52 0.89 -0.11 -1.77 0.08 0.11 -1.25 117.98 114.41 3a7i s PHE 24 Ca 0.00 -0.59 0.00 0.00 0.12 0.00 0.00 56.93 56.47 3a7i s PHE 24 Cb 0.00 -0.51 -0.02 0.00 -0.57 0.00 0.00 43.02 41.92 3a7i s PHE 24 CO 0.00 -0.05 -0.12 0.99 -0.10 0.00 0.00 175.22 175.94 3a7i s THR 25 N -1.93 3.18 -0.17 0.64 2.01 -0.35 -4.20 115.64 114.81 3a7i s THR 25 Ca -0.02 -0.64 -0.17 0.00 0.31 0.00 0.00 61.69 61.18 3a7i s THR 25 Cb -0.06 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 3a7i s THR 25 CO -0.00 0.54 0.43 -0.75 -0.69 0.00 0.00 174.62 174.15 3a7i s LYS 26 N 0.02 4.25 0.00 4.92 2.36 -1.26 -0.91 119.74 129.12 3a7i s LYS 26 Ca -0.04 0.31 0.00 0.00 -2.55 0.00 0.00 55.97 53.69 3a7i s LYS 26 Cb -0.14 -3.49 0.00 0.00 -1.05 0.00 0.00 37.83 33.15 3a7i s LYS 26 CO 0.04 0.05 0.00 1.28 1.55 0.00 0.00 175.35 178.27 3a7i n LEU 27 N 4.13 0.00 -4.87 5.43 4.77 -0.02 -4.98 117.00 121.46 3a7i n LEU 27 Ca -0.08 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.59 3a7i n LEU 27 Cb 0.51 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.62 3a7i n LEU 27 CO 0.41 0.00 0.73 -1.83 -1.33 0.00 0.00 177.39 175.37 3a7i s GLU 28 N 4.01 3.41 0.22 3.23 1.03 -1.26 -4.58 118.70 124.76 3a7i s GLU 28 Ca 0.00 0.70 -0.30 0.00 0.03 0.00 0.00 54.97 55.40 3a7i s GLU 28 Cb 0.00 -2.06 -0.09 0.00 -0.80 0.00 0.00 34.13 31.17 3a7i s GLU 28 CO 0.00 -0.70 1.36 0.21 -1.33 0.00 0.00 175.26 174.81 3a7i s LYS 29 N -5.21 4.34 -0.00 -4.83 2.20 -1.26 -0.41 119.74 114.56 3a7i s LYS 29 Ca 0.56 2.16 0.00 0.00 -0.36 0.00 0.00 55.97 58.33 3a7i s LYS 29 Cb -0.11 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 3a7i s LYS 29 CO 0.54 -0.32 0.80 0.44 -0.36 0.00 0.00 175.35 176.44 3a7i n ILE 30 N 2.48 0.59 0.00 5.43 -5.35 0.53 -4.85 119.36 118.18 3a7i n ILE 30 Ca 0.06 -0.60 0.00 0.00 -0.27 0.00 0.00 62.75 61.94 3a7i n ILE 30 Cb 0.42 0.69 0.00 0.00 -1.74 0.00 0.00 39.64 39.01 3a7i n ILE 30 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a7i n GLY 31 N -0.31 0.60 3.40 3.28 0.00 -1.08 -4.94 105.19 106.14 3a7i n GLY 31 Ca 0.00 -1.27 -0.32 0.00 0.00 0.00 0.00 46.02 44.43 3a7i n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a7i s LYS 32 N -1.96 2.73 0.00 1.61 1.02 -1.26 -0.38 119.74 121.51 3a7i s LYS 32 Ca 0.00 -0.75 0.00 0.00 0.02 0.00 0.00 55.97 55.24 3a7i s LYS 32 Cb 0.00 -2.38 0.00 0.00 -0.52 0.00 0.00 37.83 34.93 3a7i s LYS 32 CO 0.00 0.46 0.00 0.41 -0.92 0.00 0.00 175.35 175.30 3a7i n GLY 33 N 2.77 3.12 0.17 -3.33 0.00 0.14 -4.84 105.19 103.23 3a7i n GLY 33 Ca -0.17 -2.07 -0.07 0.00 0.00 0.00 0.00 46.02 43.70 3a7i n GLY 33 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3a7i h SER 34 N 0.00 0.37 0.00 1.61 0.02 -2.00 -3.35 113.55 110.20 3a7i h SER 34 Ca 0.00 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3a7i h SER 34 Cb 0.00 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.43 3a7i h SER 34 CO 0.00 0.94 -0.06 0.49 -1.14 0.00 0.00 176.83 177.06 3a7i n PHE 35 N -3.84 0.00 -0.56 3.45 3.01 -1.26 -5.09 117.46 113.18 3a7i n PHE 35 Ca -0.03 -1.01 0.00 0.00 1.01 0.00 0.00 57.45 57.41 3a7i n PHE 35 Cb 0.67 -0.16 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 3a7i n PHE 35 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3a7i n GLY 36 N -1.37 -0.47 3.71 1.37 0.00 -1.26 -4.55 105.19 102.62 3a7i n GLY 36 Ca 0.16 -0.84 -0.25 0.00 0.00 0.00 0.00 46.02 45.09 3a7i n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a7i s GLU 37 N -2.00 2.54 -0.09 1.61 2.02 -1.20 0.25 118.70 121.83 3a7i s GLU 37 Ca 0.00 -1.14 0.01 0.00 0.02 0.00 0.00 54.97 53.86 3a7i s GLU 37 Cb 0.00 -2.39 -0.02 0.00 0.10 0.00 0.00 34.13 31.82 3a7i s GLU 37 CO 0.00 0.43 -0.11 0.08 0.02 0.00 0.00 175.26 175.68 3a7i s VAL 38 N -1.95 3.34 0.12 2.63 1.01 0.49 -1.33 120.40 124.72 3a7i s VAL 38 Ca 0.30 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.76 3a7i s VAL 38 Cb -0.08 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 3a7i s VAL 38 CO 0.21 0.56 -0.18 -0.36 0.00 0.00 0.00 175.10 175.33 3a7i s PHE 39 N -0.29 1.66 0.50 5.22 0.40 0.37 -0.35 117.98 125.50 3a7i s PHE 39 Ca 0.03 -0.47 -0.17 0.00 -0.60 0.00 0.00 56.93 55.72 3a7i s PHE 39 Cb -0.13 -0.88 -0.09 0.00 0.51 0.00 0.00 43.02 42.44 3a7i s PHE 39 CO 0.03 0.22 0.98 0.21 0.70 0.00 0.00 175.22 177.35 3a7i s LYS 40 N -2.35 4.01 0.35 0.44 2.20 0.45 -0.04 119.74 124.80 3a7i s LYS 40 Ca 0.09 0.99 -0.08 0.00 -0.36 0.00 0.00 55.97 56.61 3a7i s LYS 40 Cb -0.07 -2.15 0.02 0.00 -1.51 0.00 0.00 37.83 34.12 3a7i s LYS 40 CO 0.05 -0.22 0.58 0.20 -0.36 0.00 0.00 175.35 175.60 3a7i s GLY 41 N -2.88 1.05 -0.02 5.54 0.00 -0.07 -0.84 107.32 110.09 3a7i s GLY 41 Ca 0.60 -1.21 0.04 0.00 0.00 0.00 0.00 44.72 44.14 3a7i s GLY 41 CO 0.27 -0.74 -0.14 -0.42 0.00 0.00 0.00 173.10 172.08 3a7i s ILE 42 N -2.87 1.10 -0.33 0.90 1.01 -0.08 -0.88 121.20 120.05 3a7i s ILE 42 Ca 0.25 -0.58 -0.25 0.00 0.00 0.00 0.00 60.65 60.07 3a7i s ILE 42 Cb -0.02 -0.93 0.01 0.00 0.01 0.00 0.00 42.46 41.53 3a7i s ILE 42 CO 0.17 0.32 0.89 -0.62 0.00 0.00 0.00 174.94 175.70 3a7i s ASP 43 N -0.20 6.72 0.47 3.58 -1.08 0.22 -1.22 116.67 125.17 3a7i s ASP 43 Ca 0.03 0.71 0.32 0.00 -0.52 0.00 0.00 52.55 53.09 3a7i s ASP 43 Cb -0.07 -2.45 1.45 0.00 -1.46 0.00 0.00 42.92 40.39 3a7i s ASP 43 CO -0.00 -0.75 1.96 0.78 0.52 0.00 0.00 175.17 177.67 3a7i h ASN 44 N 8.23 0.00 0.07 -0.34 2.35 -1.50 0.15 115.58 124.54 3a7i h ASN 44 Ca -0.23 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.26 3a7i h ASN 44 Cb 1.08 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.48 3a7i h ASN 44 CO 0.95 0.00 -1.06 -0.09 -1.65 0.00 0.00 177.43 175.58 3a7i h ARG 45 N 0.00 0.59 0.00 0.81 2.43 -1.91 -3.38 114.38 112.92 3a7i h ARG 45 Ca 0.00 -0.73 0.00 0.00 -0.81 0.00 0.00 59.98 58.44 3a7i h ARG 45 Cb 0.32 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3a7i h ARG 45 CO 0.00 1.31 -0.92 0.25 -1.51 0.00 0.00 179.97 179.10 3a7i n THR 46 N -3.91 0.00 -1.23 0.20 -2.24 -1.12 -4.98 114.28 101.00 3a7i n THR 46 Ca -0.13 -0.24 -0.08 0.00 -2.27 0.00 0.00 64.05 61.33 3a7i n THR 46 Cb 0.90 0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 69.80 3a7i n THR 46 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a7i n GLN 47 N -1.52 -1.05 -2.43 -0.78 1.13 0.52 -5.02 117.38 108.23 3a7i n GLN 47 Ca 0.01 0.70 -0.32 0.00 -1.94 0.00 0.00 57.00 55.44 3a7i n GLN 47 Cb 0.23 -4.71 -0.04 0.00 0.11 0.00 0.00 30.24 25.84 3a7i n GLN 47 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3a7i s LYS 48 N -2.36 3.92 0.25 -1.09 1.02 -1.25 -4.77 119.74 115.46 3a7i s LYS 48 Ca 0.00 1.02 -0.17 0.00 0.02 0.00 0.00 55.97 56.85 3a7i s LYS 48 Cb 0.00 -2.13 -0.08 0.00 -0.52 0.00 0.00 37.83 35.10 3a7i s LYS 48 CO 0.00 -0.30 0.70 0.08 -0.92 0.00 0.00 175.35 174.91 3a7i s VAL 49 N -2.51 4.66 0.27 3.17 1.01 -1.26 -0.61 120.40 125.13 3a7i s VAL 49 Ca 0.60 1.06 0.02 0.00 0.00 0.00 0.00 61.98 63.66 3a7i s VAL 49 Cb -0.11 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 3a7i s VAL 49 CO 0.29 0.04 0.08 0.68 0.00 0.00 0.00 175.10 176.19 3a7i s VAL 50 N -1.71 0.70 -0.07 2.92 -7.23 -0.06 -4.22 120.40 110.73 3a7i s VAL 50 Ca 0.47 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.66 3a7i s VAL 50 Cb -0.14 -2.65 -0.02 0.00 0.56 0.00 0.00 36.38 34.13 3a7i s VAL 50 CO 0.19 -0.02 -0.13 0.00 -0.31 0.00 0.00 175.10 174.83 3a7i s ALA 51 N -3.65 2.71 -0.19 1.32 0.00 0.39 -0.90 121.76 121.44 3a7i s ALA 51 Ca 0.37 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.39 3a7i s ALA 51 Cb 0.08 -1.06 0.04 0.00 0.00 0.00 0.00 23.12 22.18 3a7i s ALA 51 CO 0.14 0.50 -0.12 0.42 0.00 0.00 0.00 175.76 176.69 3a7i s ILE 52 N -0.53 1.74 -0.24 0.00 1.01 0.94 0.21 121.20 124.34 3a7i s ILE 52 Ca 0.07 -0.99 -0.16 0.00 0.00 0.00 0.00 60.65 59.57 3a7i s ILE 52 Cb -0.12 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 3a7i s ILE 52 CO 0.02 0.26 0.40 -0.75 0.00 0.00 0.00 174.94 174.86 3a7i s LYS 53 N 1.37 4.09 -0.26 2.79 2.20 0.70 -0.47 119.74 130.15 3a7i s LYS 53 Ca 0.00 0.14 -0.07 0.00 -0.36 0.00 0.00 55.97 55.69 3a7i s LYS 53 Cb -0.15 -3.61 -0.01 0.00 -1.51 0.00 0.00 37.83 32.54 3a7i s LYS 53 CO -0.09 -0.19 0.06 0.42 -0.36 0.00 0.00 175.35 175.19 3a7i s ILE 54 N 1.80 4.08 -0.15 5.43 1.01 -0.44 0.15 121.20 133.08 3a7i s ILE 54 Ca 0.17 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.45 3a7i s ILE 54 Cb -0.15 -2.96 0.00 0.00 0.01 0.00 0.00 42.46 39.36 3a7i s ILE 54 CO 0.09 0.27 -0.17 -0.63 0.00 0.00 0.00 174.94 174.50 3a7i s ILE 55 N 1.56 2.53 -0.51 2.92 1.01 -0.42 -3.28 121.20 125.02 3a7i s ILE 55 Ca 0.05 -0.82 -0.28 0.00 0.00 0.00 0.00 60.65 59.60 3a7i s ILE 55 Cb -0.16 -2.06 0.01 0.00 0.01 0.00 0.00 42.46 40.27 3a7i s ILE 55 CO 0.02 0.52 1.46 -0.62 0.00 0.00 0.00 174.94 176.33 3a7i s ASP 56 N 0.83 6.12 0.45 3.58 -1.08 -1.26 -1.67 116.67 123.65 3a7i s ASP 56 Ca -0.05 0.51 0.23 0.00 -0.52 0.00 0.00 52.55 52.71 3a7i s ASP 56 Cb -0.15 -2.54 1.03 0.00 -1.46 0.00 0.00 42.92 39.80 3a7i s ASP 56 CO -0.01 -1.67 1.89 -0.07 0.52 0.00 0.00 175.17 175.83 3a7i h LEU 57 N 13.06 0.00 0.07 -1.34 3.38 -1.47 -0.46 115.31 128.57 3a7i h LEU 57 Ca -0.27 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 3a7i h LEU 57 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3a7i h LEU 57 CO 1.14 0.24 -0.04 -0.33 0.09 0.00 0.00 178.44 179.54 3a7i h GLU 58 N 0.00 -0.10 -0.41 1.13 5.08 -1.90 -3.05 114.58 115.34 3a7i h GLU 58 Ca -0.00 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 3a7i h GLU 58 Cb 0.63 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3a7i h GLU 58 CO 0.03 0.03 -0.07 0.93 -1.00 0.00 0.00 179.01 178.93 3a7i h GLU 59 N -0.20 0.77 -6.73 2.33 5.08 -1.83 -3.43 114.58 110.56 3a7i h GLU 59 Ca -0.01 -0.28 -0.57 0.00 -1.00 0.00 0.00 59.36 57.50 3a7i h GLU 59 Cb 0.17 -0.05 0.11 0.00 0.50 0.00 0.00 28.75 29.48 3a7i h GLU 59 CO 0.02 0.89 0.48 0.00 -1.00 0.00 0.00 179.01 179.39 3a7i n ALA 60 N -2.44 1.18 -2.00 3.43 0.00 -0.21 -4.94 120.51 115.53 3a7i n ALA 60 Ca -0.01 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.79 3a7i n ALA 60 Cb 0.35 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.56 3a7i n ALA 60 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3a7i n GLU 61 N 0.53 0.00 0.00 0.00 -0.58 -1.26 -4.85 120.64 114.48 3a7i n GLU 61 Ca 0.05 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.90 3a7i n GLU 61 Cb 0.36 0.00 0.53 0.00 -0.57 0.00 0.00 31.44 31.76 3a7i n GLU 61 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3a7i n ASP 62 N 0.00 0.00 0.12 1.62 10.43 -1.26 -2.49 116.55 124.97 3a7i n ASP 62 Ca 0.00 0.16 0.00 0.00 2.57 0.00 0.00 54.79 57.52 3a7i n ASP 62 Cb 0.00 -0.36 0.31 0.00 1.84 0.00 0.00 41.12 42.91 3a7i n ASP 62 CO 0.00 0.00 0.00 -0.33 -1.07 0.00 0.00 177.20 175.80 3a7i h GLU 63 N 0.00 0.20 -1.40 -1.24 3.07 -1.96 -2.87 114.58 110.39 3a7i h GLU 63 Ca 0.00 -0.07 0.43 0.00 -0.50 0.00 0.00 59.36 59.21 3a7i h GLU 63 Cb 0.27 -0.01 -0.10 0.00 -0.84 0.00 0.00 28.75 28.07 3a7i h GLU 63 CO 0.00 0.48 0.95 0.82 -1.40 0.00 0.00 179.01 179.86 3a7i h ILE 64 N 0.18 0.20 -0.26 3.13 2.04 -1.81 0.79 117.51 121.78 3a7i h ILE 64 Ca 0.03 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 65.88 3a7i h ILE 64 Cb 0.61 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 3a7i h ILE 64 CO 0.04 0.02 0.10 -0.33 0.00 0.00 0.00 178.15 177.98 3a7i h GLU 65 N 0.09 0.21 0.03 2.37 4.39 -1.75 0.24 114.58 120.17 3a7i h GLU 65 Ca 0.77 -0.01 -0.24 0.00 0.34 0.00 0.00 59.36 60.22 3a7i h GLU 65 Cb 2.63 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 31.24 3a7i h GLU 65 CO -0.24 0.14 -1.01 -0.44 -1.16 0.00 0.00 179.01 176.29 3a7i h ASP 66 N 0.22 0.49 -0.55 1.42 3.32 0.31 -1.74 116.42 119.89 3a7i h ASP 66 Ca 0.11 -0.43 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 3a7i h ASP 66 Cb 0.08 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 3a7i h ASP 66 CO -0.11 1.25 0.29 0.40 -1.72 0.00 0.00 179.24 179.35 3a7i h ILE 67 N 0.19 1.19 -0.68 0.35 2.04 -0.83 0.37 117.51 120.14 3a7i h ILE 67 Ca -0.09 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.24 3a7i h ILE 67 Cb 1.67 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 3a7i h ILE 67 CO 0.17 0.21 0.29 -0.61 0.00 0.00 0.00 178.15 178.21 3a7i h GLN 68 N 0.74 0.98 -0.43 2.37 5.75 -0.39 -2.34 115.11 121.79 3a7i h GLN 68 Ca 0.19 -0.15 -0.14 0.00 -0.15 0.00 0.00 58.65 58.40 3a7i h GLN 68 Cb 0.07 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 3a7i h GLN 68 CO -0.03 0.78 -0.29 0.37 -2.65 0.00 0.00 178.83 177.01 3a7i h GLN 69 N 0.97 0.94 -0.31 1.69 5.75 -0.35 -2.00 115.11 121.80 3a7i h GLN 69 Ca 0.23 -0.43 0.03 0.00 -0.15 0.00 0.00 58.65 58.33 3a7i h GLN 69 Cb 0.15 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.65 3a7i h GLN 69 CO -0.02 1.10 0.12 1.49 -2.65 0.00 0.00 178.83 178.86 3a7i h GLU 70 N 0.79 0.25 -0.57 1.69 4.81 0.07 -0.04 114.58 121.59 3a7i h GLU 70 Ca 0.09 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.20 3a7i h GLU 70 Cb 0.86 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 3a7i h GLU 70 CO 0.08 0.17 -0.03 0.82 -0.73 0.00 0.00 179.01 179.31 3a7i h ILE 71 N 0.26 1.27 -0.09 2.32 2.04 -1.33 0.83 117.51 122.81 3a7i h ILE 71 Ca 0.14 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.82 3a7i h ILE 71 Cb 0.10 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 3a7i h ILE 71 CO -0.13 0.42 0.06 0.74 0.00 0.00 0.00 178.15 179.23 3a7i h THR 72 N 0.91 1.03 -0.21 -0.27 2.02 -0.97 0.31 112.91 115.73 3a7i h THR 72 Ca 0.16 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.25 3a7i h THR 72 Cb 0.59 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 3a7i h THR 72 CO 0.04 0.03 0.03 0.58 0.37 0.00 0.00 175.52 176.56 3a7i h VAL 73 N 0.11 1.23 -0.84 3.16 2.07 -0.88 -2.19 116.25 118.92 3a7i h VAL 73 Ca 0.03 -0.78 0.06 0.00 0.82 0.00 0.00 66.70 66.84 3a7i h VAL 73 Cb -0.01 1.34 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 3a7i h VAL 73 CO -0.01 0.24 0.51 -0.07 0.02 0.00 0.00 177.57 178.27 3a7i h LEU 74 N 0.15 0.80 -1.95 2.57 3.38 -0.70 -1.58 115.31 117.97 3a7i h LEU 74 Ca 0.06 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3a7i h LEU 74 Cb 0.34 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3a7i h LEU 74 CO 0.01 0.51 -0.05 0.77 0.09 0.00 0.00 178.44 179.77 3a7i h SER 75 N 0.93 0.00 0.02 -0.43 4.64 -0.68 -2.51 113.55 115.52 3a7i h SER 75 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3a7i h SER 75 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3a7i h SER 75 CO -0.18 0.05 -0.14 0.00 -0.87 0.00 0.00 176.83 175.70 3a7i n GLN 76 N -3.26 1.69 -4.00 4.77 6.02 -0.62 -4.89 117.38 117.09 3a7i n GLN 76 Ca -0.01 -1.25 -0.36 0.00 -0.01 0.00 0.00 57.00 55.37 3a7i n GLN 76 Cb 0.24 -1.47 -0.08 0.00 1.02 0.00 0.00 30.24 29.94 3a7i n GLN 76 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3a7i s ASP 78 N -0.56 2.32 -0.06 0.00 2.15 -1.26 -4.79 116.67 114.47 3a7i s ASP 78 Ca 0.11 -2.11 -0.12 0.00 0.43 0.00 0.00 52.55 50.87 3a7i s ASP 78 Cb -0.12 -0.13 0.02 0.00 -0.30 0.00 0.00 42.92 42.40 3a7i s ASP 78 CO 0.02 -0.28 0.28 -0.55 -0.17 0.00 0.00 175.17 174.47 3a7i s SER 79 N 1.07 -0.23 0.12 -0.34 0.15 -1.26 -5.01 113.70 108.20 3a7i s SER 79 Ca 0.19 0.32 0.17 0.00 0.70 0.00 0.00 55.95 57.34 3a7i s SER 79 Cb -0.19 0.46 0.75 0.00 -1.71 0.00 0.00 66.02 65.33 3a7i s SER 79 CO -0.02 -0.26 1.54 -2.65 1.20 0.00 0.00 173.24 173.05 3a7i n PRO 80 N 2.16 0.08 -0.28 5.44 -0.02 -1.26 -2.39 135.00 138.74 3a7i n PRO 80 Ca -0.17 0.36 0.11 0.00 -2.02 0.00 0.00 63.50 61.78 3a7i n PRO 80 Cb 0.57 -1.67 0.26 0.00 -0.02 0.00 0.00 33.50 32.64 3a7i n PRO 80 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3a7i n TYR 81 N -1.84 0.73 -4.38 6.00 4.01 -1.26 -4.76 117.16 115.67 3a7i n TYR 81 Ca 0.02 -0.39 -0.21 0.00 -0.16 0.00 0.00 57.90 57.16 3a7i n TYR 81 Cb 0.17 -0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.04 3a7i n TYR 81 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3a7i s VAL 82 N -1.19 0.80 -0.22 -0.72 1.01 -1.01 -0.85 120.40 118.21 3a7i s VAL 82 Ca 0.42 -0.32 -0.40 0.00 0.00 0.00 0.00 61.98 61.68 3a7i s VAL 82 Cb 0.23 -0.74 -0.16 0.00 0.00 0.00 0.00 36.38 35.71 3a7i s VAL 82 CO 0.31 0.27 1.68 0.35 0.00 0.00 0.00 175.10 177.70 3a7i n THR 83 N 3.62 0.26 -2.09 3.92 -2.24 -0.63 -4.61 114.28 112.50 3a7i n THR 83 Ca -0.21 -0.05 -0.36 0.00 -2.27 0.00 0.00 64.05 61.16 3a7i n THR 83 Cb 0.53 -1.15 0.02 0.00 -2.10 0.00 0.00 70.33 67.63 3a7i n THR 83 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3a7i s LYS 84 N 3.04 3.19 -0.13 -0.78 -0.14 -1.26 -4.84 119.74 118.82 3a7i s LYS 84 Ca 0.96 1.80 -0.01 0.00 -1.36 0.00 0.00 55.97 57.37 3a7i s LYS 84 Cb -1.06 -2.04 -0.02 0.00 -1.68 0.00 0.00 37.83 33.04 3a7i s LYS 84 CO 0.63 -1.02 -0.12 -0.47 -0.76 0.00 0.00 175.35 173.61 3a7i s TYR 85 N -1.60 2.84 -0.15 3.18 6.14 -1.26 -1.12 117.35 125.38 3a7i s TYR 85 Ca 0.74 -0.56 0.07 0.00 0.64 0.00 0.00 57.07 57.96 3a7i s TYR 85 Cb -0.29 -1.85 -0.23 0.00 0.42 0.00 0.00 41.96 40.01 3a7i s TYR 85 CO 0.33 -0.16 0.24 0.66 0.64 0.00 0.00 175.55 177.26 3a7i n TYR 86 N 3.45 0.58 0.00 4.97 0.53 0.13 -4.99 117.16 121.83 3a7i n TYR 86 Ca -0.18 0.16 0.00 0.00 -1.02 0.00 0.00 57.90 56.87 3a7i n TYR 86 Cb 0.53 -1.09 0.00 0.00 -1.03 0.00 0.00 39.34 37.75 3a7i n TYR 86 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3a7i n GLY 87 N 1.87 1.39 3.22 2.72 0.00 -1.20 -5.00 105.19 108.19 3a7i n GLY 87 Ca -0.31 -1.35 -0.31 0.00 0.00 0.00 0.00 46.02 44.05 3a7i n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3a7i s SER 88 N 0.00 2.88 -0.03 1.61 0.01 -1.26 -1.33 113.70 115.59 3a7i s SER 88 Ca 0.00 -0.49 0.05 0.00 1.31 0.00 0.00 55.95 56.82 3a7i s SER 88 Cb 0.00 -0.97 -0.01 0.00 0.21 0.00 0.00 66.02 65.25 3a7i s SER 88 CO 0.00 0.20 -0.17 -0.31 0.41 0.00 0.00 173.24 173.37 3a7i s TYR 89 N 0.05 1.60 -0.07 2.43 2.02 -0.24 -0.89 117.35 122.25 3a7i s TYR 89 Ca -0.09 -0.37 -0.15 0.00 -0.37 0.00 0.00 57.07 56.09 3a7i s TYR 89 Cb -0.15 -1.06 -0.05 0.00 -0.40 0.00 0.00 41.96 40.31 3a7i s TYR 89 CO 0.05 -0.09 0.39 -1.17 -1.57 0.00 0.00 175.55 173.16 3a7i s LEU 90 N -0.20 4.37 -0.29 -1.29 2.96 -0.45 -0.79 118.68 122.97 3a7i s LEU 90 Ca 0.02 0.80 0.01 0.00 -0.22 0.00 0.00 54.13 54.74 3a7i s LEU 90 Cb -0.09 -2.54 0.15 0.00 0.50 0.00 0.00 46.19 44.21 3a7i s LEU 90 CO 0.01 0.19 0.35 -0.75 -1.32 0.00 0.00 176.35 174.83 3a7i s LYS 91 N -0.27 0.38 7.93 1.98 2.47 -0.08 -3.52 119.74 128.63 3a7i s LYS 91 Ca 0.22 -0.05 0.00 0.00 -1.56 0.00 0.00 55.97 54.59 3a7i s LYS 91 Cb -0.15 -0.49 0.00 0.00 -1.46 0.00 0.00 37.83 35.73 3a7i s LYS 91 CO 0.10 -1.04 0.00 -0.25 0.16 0.00 0.00 175.35 174.32 3a7i n ASP 92 N 5.28 0.00 -1.91 1.43 8.00 -1.26 -0.69 116.55 127.40 3a7i n ASP 92 Ca -0.00 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.49 3a7i n ASP 92 Cb 0.48 0.00 0.33 0.00 -0.02 0.00 0.00 41.12 41.91 3a7i n ASP 92 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3a7i n THR 93 N 0.00 2.74 -4.78 -3.53 -2.24 -1.26 -4.95 114.28 100.26 3a7i n THR 93 Ca 0.00 -1.45 -0.30 0.00 -2.27 0.00 0.00 64.05 60.04 3a7i n THR 93 Cb 0.00 -0.35 -0.14 0.00 -2.10 0.00 0.00 70.33 67.74 3a7i n THR 93 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3a7i s LYS 94 N -2.78 1.69 -0.15 -0.78 -0.14 0.13 -1.10 119.74 116.61 3a7i s LYS 94 Ca 0.52 -1.16 -0.02 0.00 -1.36 0.00 0.00 55.97 53.95 3a7i s LYS 94 Cb 0.41 -1.94 -0.02 0.00 -1.68 0.00 0.00 37.83 34.60 3a7i s LYS 94 CO 0.14 0.49 -0.08 -1.17 -0.76 0.00 0.00 175.35 173.97 3a7i s LEU 95 N -1.42 2.98 -0.21 3.17 2.96 -0.67 -0.90 118.68 124.59 3a7i s LEU 95 Ca 0.12 -0.23 -0.06 0.00 -0.22 0.00 0.00 54.13 53.74 3a7i s LEU 95 Cb -0.10 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 3a7i s LEU 95 CO 0.03 0.16 0.02 0.26 -1.32 0.00 0.00 176.35 175.50 3a7i s TRP 96 N 0.40 3.06 -0.31 5.38 0.52 0.03 -1.30 118.94 126.73 3a7i s TRP 96 Ca -0.07 -0.43 -0.08 0.00 0.02 0.00 0.00 56.10 55.54 3a7i s TRP 96 Cb -0.15 -2.12 0.01 0.00 -1.15 0.00 0.00 33.47 30.06 3a7i s TRP 96 CO 0.04 -0.25 0.11 0.42 0.02 0.00 0.00 176.95 177.29 3a7i s ILE 97 N 1.12 4.19 -0.25 2.03 1.01 0.12 -1.08 121.20 128.34 3a7i s ILE 97 Ca 0.03 -0.65 -0.09 0.00 0.00 0.00 0.00 60.65 59.93 3a7i s ILE 97 Cb -0.14 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 3a7i s ILE 97 CO 0.02 0.03 0.13 -0.63 0.00 0.00 0.00 174.94 174.50 3a7i s ILE 98 N 1.53 4.95 0.33 2.92 1.01 -0.44 -0.21 121.20 131.29 3a7i s ILE 98 Ca 0.03 0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.75 3a7i s ILE 98 Cb -0.17 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 3a7i s ILE 98 CO 0.04 0.32 0.11 -0.04 0.00 0.00 0.00 174.94 175.37 3a7i s MET 99 N 1.42 1.65 0.26 2.79 -1.94 0.13 0.20 119.30 123.81 3a7i s MET 99 Ca 0.06 -1.94 -0.31 0.00 -1.71 0.00 0.00 55.69 51.79 3a7i s MET 99 Cb -0.15 -0.48 -0.12 0.00 2.01 0.00 0.00 34.83 36.09 3a7i s MET 99 CO 0.06 -0.35 1.60 -1.91 -0.01 0.00 0.00 175.02 174.42 3a7i n GLU 100 N -0.67 2.61 -3.27 2.03 2.13 -0.27 -0.46 120.64 122.74 3a7i n GLU 100 Ca -0.02 0.93 -0.38 0.00 0.66 0.00 0.00 57.16 58.35 3a7i n GLU 100 Cb 0.66 -2.71 -0.06 0.00 0.27 0.00 0.00 31.44 29.59 3a7i n GLU 100 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 3a7i s TYR 101 N 0.33 3.65 -0.21 4.31 5.04 -1.26 -4.30 117.35 124.91 3a7i s TYR 101 Ca 0.68 1.10 -0.01 0.00 -2.44 0.00 0.00 57.07 56.40 3a7i s TYR 101 Cb -0.53 -2.55 0.06 0.00 0.35 0.00 0.00 41.96 39.29 3a7i s TYR 101 CO 0.44 0.35 -0.00 -0.51 -1.34 0.00 0.00 175.55 174.49 3a7i s LEU 102 N -0.13 1.72 0.00 6.97 1.43 -1.26 -4.95 118.68 122.46 3a7i s LEU 102 Ca 0.29 -0.94 0.19 0.00 -1.03 0.00 0.00 54.13 52.63 3a7i s LEU 102 Cb -0.17 -0.83 0.54 0.00 0.03 0.00 0.00 46.19 45.76 3a7i s LEU 102 CO 0.15 -0.27 1.43 0.61 0.23 0.00 0.00 176.35 178.50 3a7i n GLY 103 N 4.90 1.03 0.06 -3.19 0.00 -1.22 -4.32 105.19 102.45 3a7i n GLY 103 Ca -0.10 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.50 3a7i n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a7i n GLY 104 N 1.28 -1.07 0.00 -0.02 0.00 0.52 -4.63 105.19 101.27 3a7i n GLY 104 Ca 0.17 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3a7i n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a7i n GLY 105 N 1.47 1.42 3.90 -0.02 0.00 -1.23 -4.81 105.19 105.91 3a7i n GLY 105 Ca 0.07 -1.90 -0.28 0.00 0.00 0.00 0.00 46.02 43.90 3a7i n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a7i s SER 106 N -0.42 5.55 0.42 1.61 1.04 -1.26 -1.23 113.70 119.41 3a7i s SER 106 Ca 0.00 0.94 0.10 0.00 0.48 0.00 0.00 55.95 57.47 3a7i s SER 106 Cb 0.00 -1.85 0.89 0.00 0.10 0.00 0.00 66.02 65.16 3a7i s SER 106 CO 0.00 -1.18 2.00 0.00 0.98 0.00 0.00 173.24 175.04 3a7i h ALA 107 N -0.41 1.65 -0.59 5.32 0.00 -0.60 -1.40 119.26 123.24 3a7i h ALA 107 Ca -0.45 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.30 3a7i h ALA 107 Cb 1.25 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 3a7i h ALA 107 CO 0.62 0.26 0.20 1.25 0.00 0.00 0.00 179.25 181.59 3a7i h LEU 108 N 0.29 0.84 -0.58 0.00 5.85 -1.75 -2.33 115.31 117.63 3a7i h LEU 108 Ca 0.07 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.62 3a7i h LEU 108 Cb 0.17 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 3a7i h LEU 108 CO 0.00 0.81 0.37 0.44 -0.34 0.00 0.00 178.44 179.71 3a7i h ASP 109 N 0.82 0.61 0.25 1.25 3.45 -1.61 -2.00 116.42 119.19 3a7i h ASP 109 Ca 0.19 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.65 3a7i h ASP 109 Cb 0.26 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 38.89 3a7i h ASP 109 CO -0.01 0.43 0.00 -0.07 -1.57 0.00 0.00 179.24 178.02 3a7i h LEU 110 N 0.73 0.00 0.00 1.55 3.38 -0.98 -0.49 115.31 119.50 3a7i h LEU 110 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3a7i h LEU 110 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3a7i h LEU 110 CO -0.08 0.00 -0.34 -0.07 0.09 0.00 0.00 178.44 178.04 3a7i h LEU 111 N 0.00 0.00 -1.07 1.67 3.38 -0.82 -3.39 115.31 115.08 3a7i h LEU 111 Ca 0.00 -0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.00 3a7i h LEU 111 Cb 0.13 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.80 3a7i h LEU 111 CO 0.00 0.04 0.62 -0.33 0.09 0.00 0.00 178.44 178.86 3a7i h GLU 112 N 0.00 0.94 0.00 1.13 5.08 -1.02 -2.39 114.58 118.33 3a7i h GLU 112 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3a7i h GLU 112 Cb 0.80 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3a7i h GLU 112 CO 0.00 0.62 0.00 -1.35 -1.00 0.00 0.00 179.01 177.28 3a7i h PRO 113 N 0.97 0.00 0.00 2.33 0.11 -1.77 -3.48 132.00 130.15 3a7i h PRO 113 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 3a7i h PRO 113 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.57 3a7i h PRO 113 CO -0.23 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.97 3a7i n GLY 114 N 0.23 -1.31 3.73 -0.55 0.00 -0.90 -5.14 105.19 101.25 3a7i n GLY 114 Ca 0.02 -1.55 -0.36 0.00 0.00 0.00 0.00 46.02 44.13 3a7i n GLY 114 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3a7i s PRO 115 N -1.67 2.49 0.40 1.61 0.02 -1.26 -4.70 135.00 131.88 3a7i s PRO 115 Ca 0.00 1.90 -0.01 0.00 0.02 0.00 0.00 61.00 62.90 3a7i s PRO 115 Cb 0.00 -1.86 -0.03 0.00 0.02 0.00 0.00 34.50 32.63 3a7i s PRO 115 CO 0.00 -1.60 0.64 -0.51 -0.33 0.00 0.00 177.00 175.19 3a7i s LEU 116 N -4.60 3.86 0.43 -5.54 1.43 -1.26 -5.10 118.68 107.91 3a7i s LEU 116 Ca 0.78 0.60 0.04 0.00 -1.03 0.00 0.00 54.13 54.53 3a7i s LEU 116 Cb -0.33 -3.49 0.01 0.00 0.03 0.00 0.00 46.19 42.40 3a7i s LEU 116 CO 0.40 -0.41 0.61 1.51 0.23 0.00 0.00 176.35 178.69 3a7i s ASP 117 N -4.07 5.70 0.51 2.29 3.84 -1.26 -4.94 116.67 118.74 3a7i s ASP 117 Ca 0.43 -0.11 0.22 0.00 -0.00 0.00 0.00 52.55 53.09 3a7i s ASP 117 Cb -0.10 -1.06 1.35 0.00 -1.38 0.00 0.00 42.92 41.73 3a7i s ASP 117 CO 0.39 -0.73 2.09 -0.33 -0.00 0.00 0.00 175.17 176.58 3a7i h GLU 118 N 0.54 0.00 -0.27 2.11 5.08 -1.98 -0.87 114.58 119.19 3a7i h GLU 118 Ca -0.43 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.77 3a7i h GLU 118 Cb 1.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 3a7i h GLU 118 CO 0.51 0.11 -0.44 1.15 -1.00 0.00 0.00 179.01 179.35 3a7i h THR 119 N 0.00 1.30 -0.57 1.13 2.02 -1.96 -0.28 112.91 114.54 3a7i h THR 119 Ca -0.00 -1.63 -0.07 0.00 0.77 0.00 0.00 66.41 65.47 3a7i h THR 119 Cb 0.24 1.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 3a7i h THR 119 CO 0.01 0.52 0.07 1.56 0.37 0.00 0.00 175.52 178.06 3a7i h GLN 120 N 0.52 0.97 -0.17 6.66 4.20 -1.63 -0.90 115.11 124.75 3a7i h GLN 120 Ca 0.02 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.46 3a7i h GLN 120 Cb 1.04 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.70 3a7i h GLN 120 CO 0.10 0.94 0.10 0.82 -0.67 0.00 0.00 178.83 180.12 3a7i h ILE 121 N 0.86 1.03 -0.59 2.54 2.04 -1.05 -1.49 117.51 120.86 3a7i h ILE 121 Ca 0.17 -0.07 -0.06 0.00 1.00 0.00 0.00 64.86 65.89 3a7i h ILE 121 Cb 0.45 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 3a7i h ILE 121 CO 0.02 0.04 0.11 0.00 0.00 0.00 0.00 178.15 178.32 3a7i h ALA 122 N 1.07 1.09 -0.42 1.87 0.00 -0.95 -0.12 119.26 121.79 3a7i h ALA 122 Ca 0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3a7i h ALA 122 Cb -0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3a7i h ALA 122 CO -0.02 0.60 0.13 1.15 0.00 0.00 0.00 179.25 181.10 3a7i h THR 123 N 0.89 1.22 -0.24 0.00 2.02 -0.92 0.43 112.91 116.32 3a7i h THR 123 Ca 0.19 -0.73 -0.06 0.00 0.77 0.00 0.00 66.41 66.57 3a7i h THR 123 Cb 0.36 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 3a7i h THR 123 CO 0.00 0.26 -0.10 0.40 0.37 0.00 0.00 175.52 176.45 3a7i h ILE 124 N 0.53 1.30 -0.89 3.11 2.04 -1.08 -2.51 117.51 120.01 3a7i h ILE 124 Ca 0.13 -1.16 0.02 0.00 1.00 0.00 0.00 64.86 64.86 3a7i h ILE 124 Cb 0.27 1.56 -0.05 0.00 -0.74 0.00 0.00 36.82 37.86 3a7i h ILE 124 CO -0.00 0.36 0.59 -0.07 0.00 0.00 0.00 178.15 179.02 3a7i h LEU 125 N 0.21 0.99 -0.38 1.44 3.38 -0.89 -1.21 115.31 118.85 3a7i h LEU 125 Ca 0.05 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3a7i h LEU 125 Cb 0.59 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3a7i h LEU 125 CO 0.03 0.70 0.24 -0.09 0.09 0.00 0.00 178.44 179.41 3a7i h ARG 126 N 1.16 0.50 -0.60 1.13 2.43 -0.75 0.25 114.38 118.50 3a7i h ARG 126 Ca 0.34 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.37 3a7i h ARG 126 Cb -0.07 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 3a7i h ARG 126 CO -0.09 0.36 -0.00 0.93 -1.51 0.00 0.00 179.97 179.66 3a7i h GLU 127 N 0.50 1.05 -0.67 0.20 4.39 -1.06 -1.28 114.58 117.71 3a7i h GLU 127 Ca 0.14 -0.33 -0.00 0.00 0.34 0.00 0.00 59.36 59.50 3a7i h GLU 127 Cb -0.03 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.49 3a7i h GLU 127 CO -0.03 1.03 0.40 0.82 -1.16 0.00 0.00 179.01 180.07 3a7i h ILE 128 N 0.96 1.19 -0.67 3.13 2.04 -0.91 -1.99 117.51 121.26 3a7i h ILE 128 Ca 0.17 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 3a7i h ILE 128 Cb 0.55 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3a7i h ILE 128 CO 0.03 0.20 0.38 -0.07 0.00 0.00 0.00 178.15 178.69 3a7i h LEU 129 N 0.91 0.81 -0.74 1.44 3.38 -0.64 0.21 115.31 120.68 3a7i h LEU 129 Ca 0.24 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 3a7i h LEU 129 Cb -0.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3a7i h LEU 129 CO -0.04 0.65 0.07 0.11 0.09 0.00 0.00 178.44 179.31 3a7i h LYS 130 N 0.93 1.03 -0.48 1.13 1.57 -0.64 0.14 116.57 120.25 3a7i h LYS 130 Ca 0.24 -0.28 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 3a7i h LYS 130 Cb 0.00 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 3a7i h LYS 130 CO -0.04 0.97 0.10 0.78 -0.57 0.00 0.00 179.45 180.69 3a7i h GLY 131 N 1.03 0.84 1.05 3.86 0.00 -0.72 -1.90 103.07 107.23 3a7i h GLY 131 Ca 0.19 -0.54 -0.05 0.00 0.00 0.00 0.00 47.33 46.92 3a7i h GLY 131 CO 0.02 0.50 0.26 1.41 0.00 0.00 0.00 176.54 178.73 3a7i h LEU 132 N 0.66 1.06 -0.48 3.11 3.38 -0.75 -0.72 115.31 121.57 3a7i h LEU 132 Ca 0.15 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3a7i h LEU 132 Cb 0.35 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3a7i h LEU 132 CO 0.00 0.97 0.29 -0.78 0.09 0.00 0.00 178.44 179.02 3a7i h ASP 133 N 1.09 0.58 0.19 -0.43 3.58 -0.61 0.18 116.42 121.00 3a7i h ASP 133 Ca 0.24 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.65 3a7i h ASP 133 Cb 0.27 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 3a7i h ASP 133 CO -0.01 0.46 -0.20 0.22 -2.88 0.00 0.00 179.24 176.82 3a7i h TYR 134 N 0.65 -0.54 -0.56 0.28 3.20 -1.06 -0.94 116.97 117.99 3a7i h TYR 134 Ca 0.17 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.06 3a7i h TYR 134 Cb -0.01 0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 3a7i h TYR 134 CO -0.03 -0.30 0.36 -0.07 -1.64 0.00 0.00 178.16 176.48 3a7i h LEU 135 N -0.43 0.61 -1.12 2.82 3.38 -0.83 -1.82 115.31 117.92 3a7i h LEU 135 Ca 0.00 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3a7i h LEU 135 Cb 0.41 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3a7i h LEU 135 CO -0.06 0.44 -0.05 0.45 0.09 0.00 0.00 178.44 179.31 3a7i h HIS 136 N 0.73 0.59 0.00 1.13 3.86 -0.60 0.17 115.15 121.03 3a7i h HIS 136 Ca 0.21 -0.08 -0.06 0.00 -1.16 0.00 0.00 60.37 59.29 3a7i h HIS 136 Cb -0.04 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.25 3a7i h HIS 136 CO -0.04 0.61 -0.27 0.66 0.86 0.00 0.00 177.93 179.74 3a7i h SER 137 N 0.53 0.00 -0.35 2.45 4.64 -0.54 -1.72 113.55 118.55 3a7i h SER 137 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3a7i h SER 137 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3a7i h SER 137 CO 0.02 0.27 0.00 -0.62 -0.87 0.00 0.00 176.83 175.63 3a7i n GLU 138 N -3.70 1.84 -2.12 4.77 -0.58 -0.49 -4.91 120.64 115.46 3a7i n GLU 138 Ca -0.01 -1.30 -0.16 0.00 -0.42 0.00 0.00 57.16 55.26 3a7i n GLU 138 Cb 0.39 -1.29 -0.02 0.00 -0.57 0.00 0.00 31.44 29.94 3a7i n GLU 138 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3a7i n LYS 139 N 0.56 -1.28 -4.15 3.49 5.02 -0.65 -4.88 118.16 116.28 3a7i n LYS 139 Ca 0.13 0.86 -0.32 0.00 -2.02 0.00 0.00 58.31 56.96 3a7i n LYS 139 Cb 0.31 -5.23 -0.08 0.00 -0.02 0.00 0.00 35.03 30.02 3a7i n LYS 139 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3a7i s LYS 140 N -4.49 2.84 -0.10 1.97 1.02 0.48 -0.50 119.74 120.95 3a7i s LYS 140 Ca 0.00 -0.64 0.03 0.00 0.02 0.00 0.00 55.97 55.38 3a7i s LYS 140 Cb 0.00 -2.71 0.01 0.00 -0.52 0.00 0.00 37.83 34.61 3a7i s LYS 140 CO 0.00 0.60 -0.20 0.42 -0.92 0.00 0.00 175.35 175.25 3a7i s ILE 141 N -1.23 1.79 0.05 2.17 1.01 0.22 -3.46 121.20 121.75 3a7i s ILE 141 Ca 0.24 -0.84 -0.21 0.00 0.00 0.00 0.00 60.65 59.83 3a7i s ILE 141 Cb -0.12 -1.58 -0.13 0.00 0.01 0.00 0.00 42.46 40.64 3a7i s ILE 141 CO 0.16 0.50 1.43 -0.74 0.00 0.00 0.00 174.94 176.28 3a7i h HIS 142 N 7.02 0.31 0.00 3.97 -0.00 -1.93 0.30 115.15 124.83 3a7i h HIS 142 Ca -0.26 -0.07 0.00 0.00 -0.00 0.00 0.00 60.37 60.04 3a7i h HIS 142 Cb 1.21 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 28.54 3a7i h HIS 142 CO 0.47 0.57 0.00 0.54 -0.00 0.00 0.00 177.93 179.51 3a7i n ARG 143 N -4.70 0.00 -2.72 5.26 1.74 -1.26 -3.26 116.66 111.73 3a7i n ARG 143 Ca -0.06 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.96 3a7i n ARG 143 Cb 0.26 -3.37 0.05 0.00 -1.02 0.00 0.00 32.46 28.38 3a7i n ARG 143 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3a7i n ASP 144 N 0.00 1.10 -4.68 0.55 2.03 -1.26 -3.99 116.55 110.29 3a7i n ASP 144 Ca 0.00 -2.47 -0.42 0.00 0.52 0.00 0.00 54.79 52.41 3a7i n ASP 144 Cb 0.00 -0.34 -0.03 0.00 -0.72 0.00 0.00 41.12 40.03 3a7i n ASP 144 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3a7i s ILE 145 N -2.93 4.13 -0.02 5.18 -1.09 -1.26 -4.77 121.20 120.45 3a7i s ILE 145 Ca 0.26 1.45 -0.29 0.00 -2.23 0.00 0.00 60.65 59.83 3a7i s ILE 145 Cb 0.41 -3.93 0.10 0.00 -1.58 0.00 0.00 42.46 37.47 3a7i s ILE 145 CO -0.00 -0.03 0.96 -1.59 -1.23 0.00 0.00 174.94 173.04 3a7i s LYS 146 N 2.60 0.76 0.54 2.79 -2.85 -1.26 -4.75 119.74 117.57 3a7i s LYS 146 Ca 0.58 -0.30 0.23 0.00 -1.00 0.00 0.00 55.97 55.47 3a7i s LYS 146 Cb -0.26 0.34 1.39 0.00 -2.06 0.00 0.00 37.83 37.24 3a7i s LYS 146 CO 0.21 -0.34 2.06 0.00 0.10 0.00 0.00 175.35 177.39 3a7i h ALA 147 N 2.00 2.23 0.00 0.59 0.00 -1.93 -0.67 119.26 121.48 3a7i h ALA 147 Ca -0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3a7i h ALA 147 Cb 1.23 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 3a7i h ALA 147 CO 0.29 -0.38 -0.04 0.00 0.00 0.00 0.00 179.25 179.12 3a7i h ALA 148 N 1.83 1.06 -0.43 0.00 0.00 -1.95 -2.44 119.26 117.34 3a7i h ALA 148 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3a7i h ALA 148 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3a7i h ALA 148 CO -0.00 0.05 0.00 0.09 0.00 0.00 0.00 179.25 179.39 3a7i n ASN 149 N -3.23 4.70 -4.21 0.00 3.02 -0.26 -4.82 115.26 110.46 3a7i n ASN 149 Ca -0.01 -2.89 -0.35 0.00 -0.03 0.00 0.00 54.58 51.30 3a7i n ASN 149 Cb 0.23 -0.59 -0.14 0.00 -0.61 0.00 0.00 39.78 38.67 3a7i n ASN 149 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3a7i s VAL 150 N -2.64 3.04 0.05 2.41 1.01 -0.95 -1.31 120.40 122.01 3a7i s VAL 150 Ca 0.47 -1.08 0.05 0.00 0.00 0.00 0.00 61.98 61.43 3a7i s VAL 150 Cb 0.36 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 3a7i s VAL 150 CO 0.14 0.11 -0.07 -0.76 0.00 0.00 0.00 175.10 174.51 3a7i s LEU 151 N 1.33 3.17 0.08 3.92 1.43 0.03 -0.44 118.68 128.21 3a7i s LEU 151 Ca -0.01 -0.23 0.09 0.00 -1.03 0.00 0.00 54.13 52.96 3a7i s LEU 151 Cb -0.17 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 3a7i s LEU 151 CO -0.03 0.23 -0.23 -0.76 0.23 0.00 0.00 176.35 175.79 3a7i s LEU 152 N -1.80 2.41 0.87 1.79 1.02 -0.36 -0.70 118.68 121.90 3a7i s LEU 152 Ca 0.20 -0.60 -0.13 0.00 0.02 0.00 0.00 54.13 53.62 3a7i s LEU 152 Cb -0.11 -1.36 0.12 0.00 0.02 0.00 0.00 46.19 44.85 3a7i s LEU 152 CO 0.11 0.22 1.18 -0.94 0.02 0.00 0.00 176.35 176.94 3a7i s SER 153 N -1.71 3.95 0.11 2.29 1.04 0.42 -0.36 113.70 119.43 3a7i s SER 153 Ca 0.14 0.79 0.18 0.00 0.48 0.00 0.00 55.95 57.54 3a7i s SER 153 Cb -0.10 -1.26 0.76 0.00 0.10 0.00 0.00 66.02 65.52 3a7i s SER 153 CO 0.06 -2.26 1.56 -1.84 0.98 0.00 0.00 173.24 171.74 3a7i n GLU 154 N -3.55 0.08 -0.31 4.02 0.28 -1.26 -1.64 120.64 118.26 3a7i n GLU 154 Ca 0.08 0.33 0.07 0.00 -0.16 0.00 0.00 57.16 57.48 3a7i n GLU 154 Cb 0.60 -1.66 0.22 0.00 1.43 0.00 0.00 31.44 32.03 3a7i n GLU 154 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3a7i n HIS 155 N -1.81 0.74 -0.03 -1.84 8.25 -1.26 -4.83 115.22 114.44 3a7i n HIS 155 Ca 0.03 -0.59 0.00 0.00 -0.26 0.00 0.00 57.72 56.90 3a7i n HIS 155 Cb 0.19 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.19 3a7i n HIS 155 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a7i n GLY 156 N 0.49 0.50 3.78 -1.41 0.00 -0.66 -4.18 105.19 103.71 3a7i n GLY 156 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 3a7i n GLY 156 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a7i s GLU 157 N -0.97 3.65 -0.10 1.61 0.41 -1.26 -4.69 118.70 117.35 3a7i s GLU 157 Ca 0.00 1.54 0.04 0.00 -0.41 0.00 0.00 54.97 56.14 3a7i s GLU 157 Cb 0.00 -2.15 0.00 0.00 -1.78 0.00 0.00 34.13 30.20 3a7i s GLU 157 CO 0.00 -0.59 -0.22 0.08 -0.49 0.00 0.00 175.26 174.03 3a7i s VAL 158 N -1.80 1.96 0.05 2.63 1.01 -1.26 -0.44 120.40 122.55 3a7i s VAL 158 Ca 0.68 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.74 3a7i s VAL 158 Cb -0.22 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 3a7i s VAL 158 CO 0.26 0.54 -0.11 -0.54 0.00 0.00 0.00 175.10 175.25 3a7i s LYS 159 N 0.45 0.66 0.35 2.72 3.01 0.12 -4.67 119.74 122.38 3a7i s LYS 159 Ca -0.17 -0.83 -0.24 0.00 -1.01 0.00 0.00 55.97 53.73 3a7i s LYS 159 Cb -0.17 -0.54 -0.10 0.00 -1.01 0.00 0.00 37.83 36.00 3a7i s LYS 159 CO 0.07 0.11 0.93 -0.51 0.51 0.00 0.00 175.35 176.46 3a7i s LEU 160 N -1.60 4.21 0.20 3.17 1.43 -0.03 -0.79 118.68 125.27 3a7i s LEU 160 Ca -0.06 1.76 -0.01 0.00 -1.03 0.00 0.00 54.13 54.79 3a7i s LEU 160 Cb -0.10 -4.15 -0.04 0.00 0.03 0.00 0.00 46.19 41.93 3a7i s LEU 160 CO 0.01 -0.15 0.13 0.00 0.23 0.00 0.00 176.35 176.56 3a7i s ALA 161 N -1.79 1.19 -0.23 4.21 0.00 -0.43 -1.61 121.76 123.10 3a7i s ALA 161 Ca 0.53 -1.70 -0.08 0.00 0.00 0.00 0.00 51.96 50.71 3a7i s ALA 161 Cb -0.15 1.36 0.01 0.00 0.00 0.00 0.00 23.12 24.33 3a7i s ALA 161 CO 0.20 -0.58 0.32 -3.47 0.00 0.00 0.00 175.76 172.23 3a7i n ASP 162 N -0.28 -5.13 -1.73 0.00 -0.08 -1.26 -4.84 116.55 103.23 3a7i n ASP 162 Ca 0.02 0.28 0.04 0.00 -1.51 0.00 0.00 54.79 53.62 3a7i n ASP 162 Cb 0.66 -3.31 0.34 0.00 2.34 0.00 0.00 41.12 41.15 3a7i n ASP 162 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3a7i n PHE 163 N -0.41 1.87 0.29 -0.67 3.72 -1.26 -4.57 117.46 116.42 3a7i n PHE 163 Ca 0.06 -0.69 0.14 0.00 -0.05 0.00 0.00 57.45 56.91 3a7i n PHE 163 Cb 0.25 -0.49 0.85 0.00 -0.94 0.00 0.00 39.48 39.15 3a7i n PHE 163 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3a7i h GLY 164 N 4.00 0.00 -0.08 1.37 0.00 -1.91 -2.34 103.07 104.10 3a7i h GLY 164 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3a7i h GLY 164 CO 0.46 0.00 0.00 3.33 0.00 0.00 0.00 176.54 180.33 3a7i n VAL 165 N -3.85 1.91 -1.66 4.60 0.24 -1.26 -4.64 118.33 113.67 3a7i n VAL 165 Ca -0.03 -2.25 -0.35 0.00 -2.04 0.00 0.00 64.34 59.67 3a7i n VAL 165 Cb 0.12 -0.24 0.07 0.00 -1.47 0.00 0.00 33.84 32.32 3a7i n VAL 165 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a7i s ALA 166 N -2.88 2.30 0.11 2.33 0.00 -0.88 -4.72 121.76 118.02 3a7i s ALA 166 Ca 0.33 0.94 0.09 0.00 0.00 0.00 0.00 51.96 53.32 3a7i s ALA 166 Cb 0.28 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 3a7i s ALA 166 CO 0.03 -1.60 -0.21 0.20 0.00 0.00 0.00 175.76 174.18 3a7i s GLY 167 N -1.86 1.62 -0.13 0.00 0.00 0.10 -4.96 107.32 102.09 3a7i s GLY 167 Ca 0.76 -1.37 0.02 0.00 0.00 0.00 0.00 44.72 44.13 3a7i s GLY 167 CO 0.41 -1.33 -0.18 1.62 0.00 0.00 0.00 173.10 173.62 3a7i s GLN 168 N -1.97 2.58 0.28 2.90 2.00 -1.26 -0.61 119.66 123.58 3a7i s GLN 168 Ca 0.16 -0.69 -0.06 0.00 -2.00 0.00 0.00 55.36 52.77 3a7i s GLN 168 Cb -0.10 -2.18 -0.06 0.00 0.80 0.00 0.00 33.01 31.47 3a7i s GLN 168 CO 0.08 -0.09 0.56 -0.51 -0.50 0.00 0.00 175.29 174.83 3a7i s LEU 169 N 1.04 4.07 0.28 3.68 1.43 0.34 -5.01 118.68 124.50 3a7i s LEU 169 Ca -0.04 0.77 -0.00 0.00 -1.03 0.00 0.00 54.13 53.83 3a7i s LEU 169 Cb -0.15 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.47 3a7i s LEU 169 CO -0.04 -0.18 0.30 0.42 0.23 0.00 0.00 176.35 177.08 3a7i s THR 170 N -2.04 0.00 0.39 5.49 -4.23 -0.19 -4.85 115.64 110.21 3a7i s THR 170 Ca 0.45 -1.82 0.09 0.00 -1.18 0.00 0.00 61.69 59.22 3a7i s THR 170 Cb -0.11 -2.50 0.30 0.00 1.34 0.00 0.00 72.50 71.53 3a7i s THR 170 CO 0.28 0.00 1.99 0.44 -0.54 0.00 0.00 174.62 176.79 3a7i h ASP 171 N 2.30 0.53 0.36 3.99 3.45 -2.01 -2.26 116.42 122.79 3a7i h ASP 171 Ca -0.29 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.17 3a7i h ASP 171 Cb 1.24 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.90 3a7i h ASP 171 CO 0.42 0.35 -0.52 0.35 -1.57 0.00 0.00 179.24 178.27 3a7i n THR 172 N -4.48 0.00 -3.60 0.35 -2.24 -1.26 -4.63 114.28 98.43 3a7i n THR 172 Ca 0.09 -0.03 -0.29 0.00 -2.27 0.00 0.00 64.05 61.54 3a7i n THR 172 Cb 0.24 0.41 -0.13 0.00 -2.10 0.00 0.00 70.33 68.75 3a7i n THR 172 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3a7i s GLN 173 N -2.89 0.71 0.00 -0.78 0.74 -0.85 -4.97 119.66 111.62 3a7i s GLN 173 Ca 0.13 -1.32 0.27 0.00 0.05 0.00 0.00 55.36 54.49 3a7i s GLN 173 Cb 0.18 -1.69 0.89 0.00 1.10 0.00 0.00 33.01 33.48 3a7i s GLN 173 CO 0.68 -1.12 1.65 0.44 -0.55 0.00 0.00 175.29 176.39 3a7i n ILE 174 N 4.28 0.00 -3.93 -2.34 -5.35 -1.24 -1.02 119.36 109.76 3a7i n ILE 174 Ca 0.05 -0.09 -0.09 0.00 -0.27 0.00 0.00 62.75 62.36 3a7i n ILE 174 Cb 0.38 0.21 -0.09 0.00 -1.74 0.00 0.00 39.64 38.40 3a7i n ILE 174 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3a7i s LYS 175 N -2.56 0.70 0.34 6.28 -0.14 -1.26 -4.85 119.74 118.25 3a7i s LYS 175 Ca 0.24 -0.94 0.08 0.00 -1.36 0.00 0.00 55.97 54.00 3a7i s LYS 175 Cb 0.19 0.27 -0.04 0.00 -1.68 0.00 0.00 37.83 36.57 3a7i s LYS 175 CO 0.53 -0.19 0.12 1.03 -0.76 0.00 0.00 175.35 176.08 3a7i s ARG 176 N -3.41 2.33 -0.24 1.68 1.81 -0.18 -4.85 118.95 116.09 3a7i s ARG 176 Ca 0.02 -1.58 -0.03 0.00 -1.72 0.00 0.00 55.73 52.42 3a7i s ARG 176 Cb 0.03 -2.14 0.08 0.00 -0.45 0.00 0.00 34.95 32.47 3a7i s ARG 176 CO -0.08 0.11 0.08 -0.80 -0.68 0.00 0.00 175.30 173.94 3a7i s ASN 177 N -3.83 3.23 -0.30 0.23 -0.87 -1.26 -0.46 114.94 111.68 3a7i s ASN 177 Ca 0.37 -1.09 -0.01 0.00 -1.57 0.00 0.00 52.86 50.57 3a7i s ASN 177 Cb -0.02 -0.53 0.09 0.00 -0.02 0.00 0.00 41.25 40.78 3a7i s ASN 177 CO 0.22 -0.37 0.08 0.12 -2.57 0.00 0.00 177.10 174.57 3a7i s PHE 179 N 1.92 1.84 0.10 2.20 5.36 -1.26 -4.60 117.98 123.53 3a7i s PHE 179 Ca 0.05 -1.75 -0.10 0.00 -0.96 0.00 0.00 56.93 54.17 3a7i s PHE 179 Cb -0.17 -1.73 0.01 0.00 -0.34 0.00 0.00 43.02 40.79 3a7i s PHE 179 CO -0.20 -0.85 0.23 0.14 -1.46 0.00 0.00 175.22 173.09 3a7i s VAL 180 N 1.57 0.13 -1.67 3.12 -7.23 -1.26 -5.13 120.40 109.93 3a7i s VAL 180 Ca 0.08 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.19 3a7i s VAL 180 Cb -0.17 -1.31 0.00 0.00 0.56 0.00 0.00 36.38 35.46 3a7i s VAL 180 CO -0.21 -0.58 0.00 0.61 -0.31 0.00 0.00 175.10 174.61 3a7i n GLY 181 N -0.09 0.62 3.20 2.32 0.00 -1.26 -4.94 105.19 105.04 3a7i n GLY 181 Ca -0.15 -2.16 -0.33 0.00 0.00 0.00 0.00 46.02 43.38 3a7i n GLY 181 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a7i s THR 182 N -0.89 2.34 0.23 2.61 2.01 -1.26 -5.04 115.64 115.63 3a7i s THR 182 Ca 0.00 -0.87 -0.14 0.00 0.31 0.00 0.00 61.69 60.99 3a7i s THR 182 Cb 0.00 -1.97 0.28 0.00 0.01 0.00 0.00 72.50 70.82 3a7i s THR 182 CO 0.00 0.53 1.44 -2.65 -0.69 0.00 0.00 174.62 173.25 3a7i n PRO 183 N 4.23 -0.18 0.30 4.92 -0.02 -1.26 -0.83 135.00 142.15 3a7i n PRO 183 Ca -0.20 1.43 0.16 0.00 -2.02 0.00 0.00 63.50 62.88 3a7i n PRO 183 Cb 0.51 -2.13 0.92 0.00 -0.02 0.00 0.00 33.50 32.78 3a7i n PRO 183 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 3a7i h PHE 184 N 0.00 0.00 -0.02 6.00 0.05 -1.92 -2.06 116.94 118.98 3a7i h PHE 184 Ca 0.36 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.15 3a7i h PHE 184 Cb 0.59 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.54 3a7i h PHE 184 CO -0.79 0.03 -0.33 0.91 -0.18 0.00 0.00 178.31 177.95 3a7i n TRP 185 N -3.62 0.00 -2.44 -0.55 8.01 -0.01 -4.79 117.44 114.04 3a7i n TRP 185 Ca -0.03 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.76 3a7i n TRP 185 Cb 0.13 0.00 -0.04 0.00 -2.01 0.00 0.00 31.31 29.39 3a7i n TRP 185 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3a7i s MET 186 N -2.33 4.60 0.60 -0.99 -1.94 -0.78 -3.97 119.30 114.48 3a7i s MET 186 Ca 0.21 1.83 -0.17 0.00 -1.71 0.00 0.00 55.69 55.86 3a7i s MET 186 Cb 0.19 -3.16 -0.03 0.00 2.01 0.00 0.00 34.83 33.84 3a7i s MET 186 CO 0.49 0.16 1.10 0.00 -0.01 0.00 0.00 175.02 176.76 3a7i s ALA 187 N -1.18 2.62 0.35 3.03 0.00 -1.26 -4.89 121.76 120.43 3a7i s ALA 187 Ca 0.45 0.59 0.03 0.00 0.00 0.00 0.00 51.96 53.04 3a7i s ALA 187 Cb -0.32 -3.31 0.64 0.00 0.00 0.00 0.00 23.12 20.13 3a7i s ALA 187 CO 0.42 -0.97 1.97 -1.00 0.00 0.00 0.00 175.76 176.18 3a7i h PRO 188 N 0.54 0.73 0.00 0.00 0.13 -1.92 -0.83 132.00 130.65 3a7i h PRO 188 Ca -0.48 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 64.57 3a7i h PRO 188 Cb 1.24 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 3a7i h PRO 188 CO 0.56 0.55 -0.05 1.05 -0.23 0.00 0.00 178.00 179.88 3a7i h GLU 189 N 0.74 0.00 0.16 0.86 9.09 -1.92 -1.70 114.58 121.81 3a7i h GLU 189 Ca 0.19 0.00 -0.30 0.00 0.05 0.00 0.00 59.36 59.30 3a7i h GLU 189 Cb 0.03 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.16 3a7i h GLU 189 CO -0.03 0.05 -1.30 0.28 0.05 0.00 0.00 179.01 178.06 3a7i h VAL 190 N 0.00 1.36 -0.63 -1.06 2.07 -1.49 -0.92 116.25 115.59 3a7i h VAL 190 Ca -0.00 -2.74 -0.06 0.00 0.82 0.00 0.00 66.70 64.72 3a7i h VAL 190 Cb 0.65 2.87 -0.03 0.00 -1.52 0.00 0.00 31.29 33.26 3a7i h VAL 190 CO 0.01 0.82 0.15 0.40 0.02 0.00 0.00 177.57 178.96 3a7i h ILE 191 N 0.16 1.25 0.00 4.57 2.04 -1.07 -0.24 117.51 124.22 3a7i h ILE 191 Ca -0.19 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 64.77 3a7i h ILE 191 Cb 2.00 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.68 3a7i h ILE 191 CO 0.24 0.34 0.00 0.29 0.00 0.00 0.00 178.15 179.02 3a7i n LYS 192 N -4.25 0.44 -3.47 2.37 5.02 -0.67 -4.91 118.16 112.69 3a7i n LYS 192 Ca 0.05 0.01 -0.25 0.00 -2.02 0.00 0.00 58.31 56.10 3a7i n LYS 192 Cb 0.25 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.78 3a7i n LYS 192 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3a7i n GLN 193 N -1.27 -5.12 -1.77 1.97 6.02 -0.10 -5.00 117.38 112.11 3a7i n GLN 193 Ca 0.14 0.69 -0.30 0.00 -0.01 0.00 0.00 57.00 57.52 3a7i n GLN 193 Cb 0.22 -5.55 0.17 0.00 1.02 0.00 0.00 30.24 26.10 3a7i n GLN 193 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3a7i s SER 194 N -2.98 3.13 -0.16 1.08 0.01 -0.40 -4.85 113.70 109.53 3a7i s SER 194 Ca 0.49 0.49 -0.29 0.00 1.31 0.00 0.00 55.95 57.94 3a7i s SER 194 Cb -0.24 -0.71 -0.00 0.00 0.21 0.00 0.00 66.02 65.28 3a7i s SER 194 CO 0.60 -2.74 1.07 0.00 0.41 0.00 0.00 173.24 172.58 3a7i s ALA 195 N -3.65 3.57 0.24 1.44 0.00 -1.26 -4.34 121.76 117.77 3a7i s ALA 195 Ca 0.70 0.32 0.01 0.00 0.00 0.00 0.00 51.96 53.00 3a7i s ALA 195 Cb -0.07 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 3a7i s ALA 195 CO 0.53 -0.89 0.08 1.52 0.00 0.00 0.00 175.76 177.00 3a7i s TYR 196 N 2.76 1.46 0.00 0.00 -0.85 0.39 -4.92 117.35 116.19 3a7i s TYR 196 Ca 0.48 -1.17 0.00 0.00 -0.52 0.00 0.00 57.07 55.86 3a7i s TYR 196 Cb -0.18 -0.84 0.00 0.00 0.38 0.00 0.00 41.96 41.32 3a7i s TYR 196 CO 0.13 -0.33 0.00 -0.40 -1.52 0.00 0.00 175.55 173.42 3a7i n ASP 197 N -0.42 0.06 0.27 -0.18 5.68 -1.26 -1.01 116.55 119.69 3a7i n ASP 197 Ca -0.01 0.00 0.18 0.00 -0.50 0.00 0.00 54.79 54.47 3a7i n ASP 197 Cb 0.66 0.00 0.93 0.00 -1.14 0.00 0.00 41.12 41.57 3a7i n ASP 197 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3a7i h SER 198 N 0.00 0.00 0.33 -1.12 4.64 -1.94 -1.71 113.55 113.74 3a7i h SER 198 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3a7i h SER 198 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3a7i h SER 198 CO 0.00 0.00 -0.01 0.11 -0.87 0.00 0.00 176.83 176.06 3a7i h LYS 199 N 0.00 0.00 -0.41 4.77 1.79 -1.94 -0.83 116.57 119.95 3a7i h LYS 199 Ca 0.00 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.41 3a7i h LYS 199 Cb 0.11 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 3a7i h LYS 199 CO 0.00 0.01 0.01 0.00 -1.08 0.00 0.00 179.45 178.39 3a7i h ALA 200 N 1.99 1.26 0.00 3.86 0.00 -1.70 -1.92 119.26 122.76 3a7i h ALA 200 Ca -0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 3a7i h ALA 200 Cb 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3a7i h ALA 200 CO 0.00 0.50 -0.36 -0.44 0.00 0.00 0.00 179.25 178.95 3a7i h ASP 201 N 0.61 0.00 -0.31 0.00 3.32 -1.34 -2.23 116.42 116.48 3a7i h ASP 201 Ca 0.13 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.06 3a7i h ASP 201 Cb 0.37 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3a7i h ASP 201 CO 0.01 0.36 -0.25 0.40 -1.72 0.00 0.00 179.24 178.05 3a7i h ILE 202 N 0.00 1.27 -0.10 0.35 1.08 -1.31 0.16 117.51 118.97 3a7i h ILE 202 Ca -0.00 -1.37 -0.01 0.00 -0.39 0.00 0.00 64.86 63.08 3a7i h ILE 202 Cb 0.66 1.23 -0.00 0.00 -3.07 0.00 0.00 36.82 35.64 3a7i h ILE 202 CO 0.05 0.46 0.03 -0.25 -0.69 0.00 0.00 178.15 177.74 3a7i h TRP 203 N 0.69 0.16 -0.62 1.37 2.91 -1.24 -1.07 115.95 118.15 3a7i h TRP 203 Ca 0.09 -0.02 0.07 0.00 1.13 0.00 0.00 58.89 60.16 3a7i h TRP 203 Cb 0.77 -0.04 -0.04 0.00 -0.51 0.00 0.00 29.16 29.34 3a7i h TRP 203 CO 0.04 0.32 0.41 0.77 -1.03 0.00 0.00 178.44 178.95 3a7i h SER 204 N -0.05 0.51 -0.69 2.65 0.02 -1.18 -0.81 113.55 114.01 3a7i h SER 204 Ca 0.03 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 3a7i h SER 204 Cb 0.23 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 3a7i h SER 204 CO -0.00 0.33 0.28 0.25 -1.14 0.00 0.00 176.83 176.55 3a7i h LEU 205 N 0.58 0.95 -0.85 5.07 5.85 -0.28 -0.03 115.31 126.59 3a7i h LEU 205 Ca 0.27 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.83 3a7i h LEU 205 Cb 0.33 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 3a7i h LEU 205 CO -0.08 0.86 0.57 1.23 -0.34 0.00 0.00 178.44 180.67 3a7i h GLY 206 N 0.98 1.20 1.13 3.75 0.00 0.12 0.19 103.07 110.45 3a7i h GLY 206 Ca 0.23 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 47.03 3a7i h GLY 206 CO -0.02 0.43 0.06 -2.22 0.00 0.00 0.00 176.54 174.80 3a7i h ILE 207 N 1.15 1.26 -0.38 2.60 1.08 -0.98 -2.15 117.51 120.09 3a7i h ILE 207 Ca 0.32 -1.07 -0.03 0.00 -0.39 0.00 0.00 64.86 63.69 3a7i h ILE 207 Cb -0.12 0.71 -0.02 0.00 -3.07 0.00 0.00 36.82 34.32 3a7i h ILE 207 CO -0.07 0.39 0.12 0.74 -0.69 0.00 0.00 178.15 178.65 3a7i h THR 208 N 0.97 1.16 -0.70 -0.27 2.02 -0.41 0.43 112.91 116.12 3a7i h THR 208 Ca 0.19 -0.53 -0.07 0.00 0.77 0.00 0.00 66.41 66.76 3a7i h THR 208 Cb 0.47 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 3a7i h THR 208 CO 0.02 0.20 0.16 0.00 0.37 0.00 0.00 175.52 176.27 3a7i h ALA 209 N 1.60 0.97 -0.54 6.16 0.00 -0.22 0.13 119.26 127.35 3a7i h ALA 209 Ca 0.13 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 3a7i h ALA 209 Cb 0.16 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3a7i h ALA 209 CO -0.01 0.66 -0.06 0.82 0.00 0.00 0.00 179.25 180.66 3a7i h ILE 210 N 1.05 1.26 -0.96 0.00 2.04 -0.74 -1.24 117.51 118.93 3a7i h ILE 210 Ca 0.22 -1.18 -0.00 0.00 1.00 0.00 0.00 64.86 64.89 3a7i h ILE 210 Cb 0.38 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 3a7i h ILE 210 CO 0.00 0.42 0.59 -0.08 0.00 0.00 0.00 178.15 179.08 3a7i h GLU 211 N 0.88 1.29 0.00 2.37 4.81 -0.47 0.24 114.58 123.70 3a7i h GLU 211 Ca 0.15 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 3a7i h GLU 211 Cb 0.59 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 3a7i h GLU 211 CO 0.04 0.89 -0.41 -0.07 -0.73 0.00 0.00 179.01 178.73 3a7i h LEU 212 N 1.32 0.00 0.13 1.64 3.38 -0.37 0.33 115.31 121.73 3a7i h LEU 212 Ca 0.34 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 58.00 3a7i h LEU 212 Cb -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3a7i h LEU 212 CO -0.07 0.41 -1.63 0.00 0.09 0.00 0.00 178.44 177.24 3a7i h ALA 213 N 1.59 0.29 0.00 1.53 0.00 -0.48 -3.40 119.26 118.79 3a7i h ALA 213 Ca -0.00 -1.16 -0.01 0.00 0.00 0.00 0.00 54.91 53.73 3a7i h ALA 213 Cb 0.88 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3a7i h ALA 213 CO 0.05 1.16 -1.66 0.54 0.00 0.00 0.00 179.25 179.34 3a7i n ARG 214 N -3.46 0.49 0.00 0.00 5.12 0.76 -4.80 116.66 114.77 3a7i n ARG 214 Ca -0.19 -0.13 0.00 0.00 -1.93 0.00 0.00 57.85 55.60 3a7i n ARG 214 Cb 1.05 -1.34 0.00 0.00 -1.16 0.00 0.00 32.46 31.01 3a7i n ARG 214 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3a7i n GLY 215 N 1.71 2.39 3.36 -0.13 0.00 0.12 -5.03 105.19 107.61 3a7i n GLY 215 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 3a7i n GLY 215 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a7i s GLU 216 N -0.82 0.93 0.75 1.61 0.41 -1.22 -4.93 118.70 115.43 3a7i s GLU 216 Ca 0.00 -0.17 -0.11 0.00 -0.41 0.00 0.00 54.97 54.28 3a7i s GLU 216 Cb 0.00 0.42 0.04 0.00 -1.78 0.00 0.00 34.13 32.81 3a7i s GLU 216 CO 0.00 -0.31 1.09 -1.25 -0.49 0.00 0.00 175.26 174.30 3a7i s PRO 217 N -1.98 2.49 0.58 0.39 0.04 -1.26 -3.93 135.00 131.34 3a7i s PRO 217 Ca -0.08 0.62 -0.20 0.00 0.04 0.00 0.00 61.00 61.38 3a7i s PRO 217 Cb -0.02 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 3a7i s PRO 217 CO 0.02 -1.33 1.19 -2.30 0.04 0.00 0.00 177.00 174.61 3a7i n PRO 218 N -3.23 1.26 -1.56 0.56 -0.02 -1.26 -2.73 135.00 128.01 3a7i n PRO 218 Ca 0.07 0.48 -0.16 0.00 -2.02 0.00 0.00 63.50 61.86 3a7i n PRO 218 Cb 0.56 -2.39 -0.06 0.00 -0.02 0.00 0.00 33.50 31.59 3a7i n PRO 218 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3a7i n HIS 219 N -1.45 -0.08 0.31 6.00 8.25 -1.26 -4.90 115.22 122.08 3a7i n HIS 219 Ca 0.13 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.78 3a7i n HIS 219 Cb 0.46 -2.87 0.97 0.00 1.12 0.00 0.00 29.99 29.66 3a7i n HIS 219 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3a7i h SER 220 N 0.00 0.00 0.43 0.41 4.64 -1.90 -1.32 113.55 115.81 3a7i h SER 220 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3a7i h SER 220 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3a7i h SER 220 CO 0.48 0.02 -0.28 -0.62 -0.87 0.00 0.00 176.83 175.57 3a7i n GLU 221 N -3.26 0.43 -2.96 4.77 -0.58 -1.26 -4.90 120.64 112.88 3a7i n GLU 221 Ca -0.02 -0.21 -0.29 0.00 -0.42 0.00 0.00 57.16 56.22 3a7i n GLU 221 Cb 0.16 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.51 3a7i n GLU 221 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3a7i s LEU 222 N -2.72 3.85 0.28 -4.62 1.43 -0.50 -5.04 118.68 111.37 3a7i s LEU 222 Ca 0.20 0.94 -0.29 0.00 -1.03 0.00 0.00 54.13 53.94 3a7i s LEU 222 Cb 0.19 -3.82 -0.10 0.00 0.03 0.00 0.00 46.19 42.49 3a7i s LEU 222 CO 0.57 -0.38 1.33 -2.28 0.23 0.00 0.00 176.35 175.82 3a7i s HIS 223 N -2.38 3.11 0.50 0.29 5.65 -1.26 -4.91 115.29 116.29 3a7i s HIS 223 Ca 0.48 1.29 0.26 0.00 0.25 0.00 0.00 55.06 57.33 3a7i s HIS 223 Cb -0.10 -3.68 1.34 0.00 -1.18 0.00 0.00 32.58 28.96 3a7i s HIS 223 CO 0.34 -2.00 1.90 -1.00 -0.65 0.00 0.00 174.74 173.33 3a7i h PRO 224 N 4.28 0.13 -0.05 2.88 0.13 -1.96 -0.62 132.00 136.79 3a7i h PRO 224 Ca -0.47 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 64.59 3a7i h PRO 224 Cb 1.22 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 3a7i h PRO 224 CO 0.71 0.09 -0.25 1.98 -0.23 0.00 0.00 178.00 180.30 3a7i h MET 225 N 0.13 0.08 -0.40 0.86 4.05 -2.01 -2.26 114.93 115.38 3a7i h MET 225 Ca 0.41 -0.02 -0.12 0.00 -0.28 0.00 0.00 59.70 59.69 3a7i h MET 225 Cb 1.41 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 32.19 3a7i h MET 225 CO -0.06 0.33 -0.24 -0.22 0.23 0.00 0.00 176.91 176.95 3a7i h LYS 226 N 0.08 0.81 0.00 0.39 1.63 -1.48 -2.64 116.57 115.35 3a7i h LYS 226 Ca 0.01 -0.34 -0.00 0.00 -0.85 0.00 0.00 60.65 59.47 3a7i h LYS 226 Cb 0.48 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.08 3a7i h LYS 226 CO 0.03 0.96 -0.02 -0.39 -3.45 0.00 0.00 179.45 176.59 3a7i h VAL 227 N 0.70 0.05 0.00 2.00 -1.51 -1.32 -1.76 116.25 114.40 3a7i h VAL 227 Ca 0.09 -0.58 -0.00 0.00 -1.23 0.00 0.00 66.70 64.97 3a7i h VAL 227 Cb 0.76 1.56 -0.00 0.00 -2.13 0.00 0.00 31.29 31.48 3a7i h VAL 227 CO 0.06 0.02 -0.02 -0.07 -1.23 0.00 0.00 177.57 176.33 3a7i h LEU 228 N 0.00 0.00 0.00 4.19 3.38 -1.27 -0.46 115.31 121.15 3a7i h LEU 228 Ca -0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 3a7i h LEU 228 Cb 0.56 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 3a7i h LEU 228 CO 0.00 0.02 -2.13 2.22 0.09 0.00 0.00 178.44 178.64 3a7i n PHE 229 N -3.17 0.00 -0.18 1.13 1.16 -0.78 -4.53 117.46 111.09 3a7i n PHE 229 Ca -0.01 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.49 3a7i n PHE 229 Cb 0.20 -0.77 0.08 0.00 -1.61 0.00 0.00 39.48 37.38 3a7i n PHE 229 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 3a7i h LEU 230 N 0.00 0.95 -0.37 5.98 3.38 -0.82 -2.70 115.31 121.73 3a7i h LEU 230 Ca -0.37 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.28 3a7i h LEU 230 Cb 1.81 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 3a7i h LEU 230 CO 0.02 1.00 -0.04 0.40 0.09 0.00 0.00 178.44 179.92 3a7i h ILE 231 N 0.90 1.27 -0.07 1.22 2.04 -1.34 0.65 117.51 122.18 3a7i h ILE 231 Ca 0.16 -1.06 -0.14 0.00 1.00 0.00 0.00 64.86 64.82 3a7i h ILE 231 Cb 0.52 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 3a7i h ILE 231 CO 0.03 0.35 -0.59 -0.65 0.00 0.00 0.00 178.15 177.29 3a7i h PRO 232 N 0.48 0.22 0.04 2.37 0.11 -1.79 -3.34 132.00 130.08 3a7i h PRO 232 Ca 0.10 -0.15 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 3a7i h PRO 232 Cb 0.52 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.65 3a7i h PRO 232 CO 0.03 0.74 -0.02 -0.22 -0.21 0.00 0.00 178.00 178.32 3a7i h LYS 233 N 0.16 -0.05 -7.31 1.05 3.64 -1.34 -3.47 116.57 109.25 3a7i h LYS 233 Ca -0.00 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.87 3a7i h LYS 233 Cb 1.08 0.01 0.14 0.00 -0.41 0.00 0.00 32.23 33.05 3a7i h LYS 233 CO 0.09 0.58 0.30 -0.80 -2.27 0.00 0.00 179.45 177.34 3a7i s ASN 234 N -5.88 4.17 0.84 4.20 -0.87 0.21 -4.99 114.94 112.62 3a7i s ASN 234 Ca -0.13 1.82 -0.12 0.00 -1.57 0.00 0.00 52.86 52.85 3a7i s ASN 234 Cb -0.01 -2.48 0.10 0.00 -0.02 0.00 0.00 41.25 38.84 3a7i s ASN 234 CO 0.49 -2.25 1.17 0.20 -2.57 0.00 0.00 177.10 174.14 3a7i s ASN 235 N -3.31 3.44 0.67 -1.22 0.01 -1.26 -4.92 114.94 108.35 3a7i s ASN 235 Ca 0.62 2.25 -0.16 0.00 -0.71 0.00 0.00 52.86 54.86 3a7i s ASN 235 Cb -0.18 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 38.92 3a7i s ASN 235 CO 0.56 -2.76 1.18 -2.84 -1.51 0.00 0.00 177.10 171.73 3a7i s PRO 236 N -4.39 2.53 0.71 -0.60 0.02 -1.26 -4.97 135.00 127.05 3a7i s PRO 236 Ca 0.70 1.68 -0.14 0.00 0.02 0.00 0.00 61.00 63.25 3a7i s PRO 236 Cb -0.25 -1.89 0.03 0.00 0.02 0.00 0.00 34.50 32.41 3a7i s PRO 236 CO 0.53 -1.51 1.15 -2.14 -0.33 0.00 0.00 177.00 174.70 3a7i s PRO 237 N -3.80 2.36 0.26 5.54 0.02 -1.26 -5.06 135.00 133.06 3a7i s PRO 237 Ca 0.73 1.54 0.06 0.00 0.02 0.00 0.00 61.00 63.34 3a7i s PRO 237 Cb -0.27 -1.88 -0.06 0.00 0.02 0.00 0.00 34.50 32.31 3a7i s PRO 237 CO 0.41 -1.62 -0.04 0.95 -0.33 0.00 0.00 177.00 176.37 3a7i s THR 238 N -2.26 1.45 -0.37 0.99 -4.23 -1.26 -4.84 115.64 105.12 3a7i s THR 238 Ca 0.70 -2.09 -0.22 0.00 -1.18 0.00 0.00 61.69 58.90 3a7i s THR 238 Cb -0.24 -2.41 0.01 0.00 1.34 0.00 0.00 72.50 71.20 3a7i s THR 238 CO 0.45 -0.31 0.70 -0.22 -0.54 0.00 0.00 174.62 174.70 3a7i s LEU 239 N -3.40 4.23 -0.01 4.79 2.96 -1.26 -5.04 118.68 120.95 3a7i s LEU 239 Ca 0.29 0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 54.37 3a7i s LEU 239 Cb 0.04 -2.88 -0.04 0.00 0.50 0.00 0.00 46.19 43.82 3a7i s LEU 239 CO 0.11 -0.67 0.08 -1.61 -1.32 0.00 0.00 176.35 172.94 3a7i s GLU 240 N 2.89 3.08 0.00 1.98 2.02 -1.26 -4.92 118.70 122.49 3a7i s GLU 240 Ca 0.27 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 54.79 3a7i s GLU 240 Cb -0.14 -2.87 0.00 0.00 0.10 0.00 0.00 34.13 31.22 3a7i s GLU 240 CO 0.16 0.65 0.00 0.41 0.02 0.00 0.00 175.26 176.51 3a7i n GLY 241 N 1.23 0.79 3.47 -1.39 0.00 -1.26 -4.93 105.19 103.09 3a7i n GLY 241 Ca -0.13 -2.27 -0.44 0.00 0.00 0.00 0.00 46.02 43.18 3a7i n GLY 241 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3a7i s ASN 242 N -0.80 6.87 0.15 1.61 2.47 -1.26 -4.92 114.94 119.06 3a7i s ASN 242 Ca 0.00 -2.55 0.08 0.00 0.42 0.00 0.00 52.86 50.81 3a7i s ASN 242 Cb 0.00 -2.42 -0.04 0.00 -1.45 0.00 0.00 41.25 37.34 3a7i s ASN 242 CO 0.00 -0.92 -0.19 -0.31 -3.72 0.00 0.00 177.10 171.96 3a7i s TYR 243 N 2.29 1.81 0.68 0.43 1.51 -1.26 -5.12 117.35 117.68 3a7i s TYR 243 Ca 0.40 -0.45 -0.17 0.00 -1.01 0.00 0.00 57.07 55.83 3a7i s TYR 243 Cb -0.03 -0.93 0.00 0.00 -0.11 0.00 0.00 41.96 40.89 3a7i s TYR 243 CO -0.03 0.29 1.22 -1.13 -1.11 0.00 0.00 175.55 174.79 3a7i n SER 244 N 0.53 1.64 -0.24 2.29 3.41 -1.26 -4.82 113.62 115.16 3a7i n SER 244 Ca -0.15 0.77 -0.03 0.00 -0.26 0.00 0.00 58.87 59.21 3a7i n SER 244 Cb 0.56 -1.52 0.08 0.00 -0.26 0.00 0.00 64.21 63.07 3a7i n SER 244 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3a7i h LYS 245 N 0.23 0.78 -0.59 4.33 3.64 -1.99 -1.49 116.57 121.48 3a7i h LYS 245 Ca -0.50 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 58.81 3a7i h LYS 245 Cb 1.34 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.95 3a7i h LYS 245 CO 0.51 0.52 0.25 -1.35 -2.27 0.00 0.00 179.45 177.11 3a7i h PRO 246 N 0.80 0.84 -0.40 1.90 0.11 -1.96 -0.01 132.00 133.28 3a7i h PRO 246 Ca 0.29 -0.12 -0.04 0.00 0.11 0.00 0.00 66.00 66.24 3a7i h PRO 246 Cb 0.07 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.01 3a7i h PRO 246 CO -0.13 0.67 0.10 1.25 -0.21 0.00 0.00 178.00 179.68 3a7i h LEU 247 N 0.83 0.60 -1.21 2.35 5.85 -1.73 0.89 115.31 122.88 3a7i h LEU 247 Ca 0.20 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 3a7i h LEU 247 Cb 0.13 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3a7i h LEU 247 CO -0.02 0.67 0.28 0.11 -0.34 0.00 0.00 178.44 179.14 3a7i h LYS 248 N 0.50 0.83 -0.06 1.25 1.57 -0.77 -1.81 116.57 118.07 3a7i h LYS 248 Ca 0.12 -0.10 -0.15 0.00 -1.87 0.00 0.00 60.65 58.65 3a7i h LYS 248 Cb 0.30 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3a7i h LYS 248 CO 0.00 0.64 -0.65 0.93 -0.57 0.00 0.00 179.45 179.81 3a7i h GLU 249 N 0.83 0.23 -0.20 3.15 5.08 -0.76 -1.69 114.58 121.23 3a7i h GLU 249 Ca 0.21 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3a7i h GLU 249 Cb 0.09 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3a7i h GLU 249 CO -0.03 0.80 0.13 0.35 -1.00 0.00 0.00 179.01 179.26 3a7i h PHE 250 N 0.17 0.25 -0.37 4.33 3.04 -0.31 -0.86 116.94 123.19 3a7i h PHE 250 Ca -0.01 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.94 3a7i h PHE 250 Cb 1.17 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 39.58 3a7i h PHE 250 CO 0.02 0.17 0.23 0.28 -2.02 0.00 0.00 178.31 177.00 3a7i h VAL 251 N 0.26 1.11 -0.95 1.41 2.07 -1.18 -2.56 116.25 116.41 3a7i h VAL 251 Ca 0.07 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 3a7i h VAL 251 Cb -0.02 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 3a7i h VAL 251 CO -0.02 0.11 0.59 -0.08 0.02 0.00 0.00 177.57 178.20 3a7i h GLU 252 N 0.49 1.28 -0.89 1.57 4.81 -1.07 -1.23 114.58 119.55 3a7i h GLU 252 Ca 0.13 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3a7i h GLU 252 Cb -0.02 -0.27 -0.04 0.00 0.63 0.00 0.00 28.75 29.04 3a7i h GLU 252 CO -0.03 0.88 0.56 0.00 -0.73 0.00 0.00 179.01 179.69 3a7i h ALA 253 N 1.33 1.13 -0.23 2.92 0.00 -0.86 -2.93 119.26 120.61 3a7i h ALA 253 Ca 0.34 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 55.00 3a7i h ALA 253 Cb -0.09 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.34 3a7i h ALA 253 CO -0.07 0.57 -0.54 0.00 0.00 0.00 0.00 179.25 179.21 3a7i n LEU 255 N -3.98 7.26 -4.70 0.00 4.77 -0.50 -4.09 117.00 115.77 3a7i n LEU 255 Ca -0.03 -5.09 -0.35 0.00 -0.03 0.00 0.00 56.01 50.51 3a7i n LEU 255 Cb 0.61 -1.30 -0.09 0.00 -2.33 0.00 0.00 43.42 40.31 3a7i n LEU 255 CO 0.48 1.87 -0.22 0.21 -1.33 0.00 0.00 177.39 178.40 3a7i s ASN 256 N -0.59 5.90 0.54 -1.43 3.84 -1.26 -4.76 114.94 117.18 3a7i s ASN 256 Ca 0.42 0.18 0.30 0.00 0.21 0.00 0.00 52.86 53.97 3a7i s ASN 256 Cb 0.14 -2.00 1.51 0.00 -0.55 0.00 0.00 41.25 40.36 3a7i s ASN 256 CO -0.05 0.21 2.08 0.11 -2.79 0.00 0.00 177.10 176.67 3a7i h LYS 257 N 6.41 0.00 -5.39 0.43 1.79 -1.96 -3.39 116.57 114.47 3a7i h LYS 257 Ca -0.41 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.42 3a7i h LYS 257 Cb 1.17 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.68 3a7i h LYS 257 CO 0.70 0.10 0.08 -2.00 -1.08 0.00 0.00 179.45 177.25 3a7i s GLU 258 N -4.09 3.56 0.29 3.15 2.56 -1.26 -4.87 118.70 118.03 3a7i s GLU 258 Ca -0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 54.97 54.82 3a7i s GLU 258 Cb 0.12 -3.85 0.50 0.00 2.00 0.00 0.00 34.13 32.90 3a7i s GLU 258 CO 0.56 -0.78 1.89 -1.35 -0.56 0.00 0.00 175.26 175.02 3a7i h PRO 259 N 8.57 1.04 0.00 4.30 0.11 -1.96 -1.60 132.00 142.45 3a7i h PRO 259 Ca -0.27 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3a7i h PRO 259 Cb 1.11 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3a7i h PRO 259 CO 0.83 0.69 0.00 -1.13 -0.21 0.00 0.00 178.00 178.18 3a7i n SER 260 N -4.51 0.61 -0.24 -2.05 3.41 -1.26 -1.56 113.62 108.03 3a7i n SER 260 Ca 0.15 0.72 0.12 0.00 -0.26 0.00 0.00 58.87 59.61 3a7i n SER 260 Cb 0.22 -0.83 0.25 0.00 -0.26 0.00 0.00 64.21 63.59 3a7i n SER 260 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3a7i n PHE 261 N -2.26 0.00 -2.68 7.33 3.72 -0.60 -4.88 117.46 118.09 3a7i n PHE 261 Ca 0.00 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.02 3a7i n PHE 261 Cb 0.12 -0.11 -0.06 0.00 -0.94 0.00 0.00 39.48 38.49 3a7i n PHE 261 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3a7i s ARG 262 N -2.62 4.59 0.79 -1.08 0.52 -0.60 -4.98 118.95 115.58 3a7i s ARG 262 Ca 0.20 1.48 -0.11 0.00 -0.52 0.00 0.00 55.73 56.77 3a7i s ARG 262 Cb 0.18 -2.94 0.07 0.00 0.52 0.00 0.00 34.95 32.78 3a7i s ARG 262 CO 0.59 0.26 1.09 -1.25 0.02 0.00 0.00 175.30 176.01 3a7i s PRO 263 N -1.80 2.12 0.73 3.54 0.04 -1.26 -5.05 135.00 133.32 3a7i s PRO 263 Ca 0.48 0.67 -0.10 0.00 0.04 0.00 0.00 61.00 62.10 3a7i s PRO 263 Cb -0.23 -1.92 0.05 0.00 0.04 0.00 0.00 34.50 32.44 3a7i s PRO 263 CO 0.29 -1.60 1.08 0.95 0.04 0.00 0.00 177.00 177.76 3a7i s THR 264 N -3.14 2.61 0.24 1.26 -4.23 -1.26 -4.90 115.64 106.22 3a7i s THR 264 Ca 0.61 0.02 -0.06 0.00 -1.18 0.00 0.00 61.69 61.08 3a7i s THR 264 Cb -0.14 -3.16 0.22 0.00 1.34 0.00 0.00 72.50 70.75 3a7i s THR 264 CO 0.54 -0.19 1.87 0.00 -0.54 0.00 0.00 174.62 176.30 3a7i h ALA 265 N -0.73 1.18 -0.78 3.99 0.00 -1.93 -1.18 119.26 119.81 3a7i h ALA 265 Ca -0.45 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.45 3a7i h ALA 265 Cb 1.30 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 3a7i h ALA 265 CO 0.63 0.37 0.51 -0.22 0.00 0.00 0.00 179.25 180.54 3a7i h LYS 266 N 1.06 1.00 -0.58 0.00 3.64 -1.93 -1.74 116.57 118.02 3a7i h LYS 266 Ca 0.36 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.62 3a7i h LYS 266 Cb 0.07 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 3a7i h LYS 266 CO -0.14 0.66 0.10 0.93 -2.27 0.00 0.00 179.45 178.73 3a7i h GLU 267 N 1.03 0.96 0.00 1.90 5.08 -1.76 -3.01 114.58 118.78 3a7i h GLU 267 Ca 0.30 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3a7i h GLU 267 Cb -0.08 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 3a7i h GLU 267 CO -0.08 0.91 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.65 3a7i h LEU 268 N 0.85 0.00 -0.99 1.33 3.38 -0.80 -1.58 115.31 117.51 3a7i h LEU 268 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3a7i h LEU 268 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3a7i h LEU 268 CO 0.01 0.12 0.00 0.18 0.09 0.00 0.00 178.44 178.84 3a7i n LEU 269 N -3.79 0.61 -1.09 1.67 4.77 -0.69 -1.57 117.00 116.91 3a7i n LEU 269 Ca -0.02 0.70 0.12 0.00 -0.03 0.00 0.00 56.01 56.78 3a7i n LEU 269 Cb 0.22 -0.68 0.18 0.00 -2.33 0.00 0.00 43.42 40.81 3a7i n LEU 269 CO 0.31 -0.72 0.68 0.29 -1.33 0.00 0.00 177.39 176.62 3a7i n LYS 270 N -2.23 2.44 -2.13 3.23 4.76 -0.60 -4.68 118.16 118.96 3a7i n LYS 270 Ca 0.01 -2.18 -0.38 0.00 -2.87 0.00 0.00 58.31 52.88 3a7i n LYS 270 Cb 0.14 -1.49 -0.00 0.00 -1.84 0.00 0.00 35.03 31.84 3a7i n LYS 270 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 3a7i s HIS 271 N -1.61 2.82 0.36 2.13 2.46 -0.61 -4.81 115.29 116.03 3a7i s HIS 271 Ca 0.35 1.47 0.11 0.00 0.47 0.00 0.00 55.06 57.46 3a7i s HIS 271 Cb 0.22 -3.55 0.88 0.00 -0.13 0.00 0.00 32.58 30.00 3a7i s HIS 271 CO 0.31 -1.86 1.84 -0.22 -2.47 0.00 0.00 174.74 172.33 3a7i h LYS 272 N 2.34 0.61 -0.62 2.88 3.64 -1.93 -0.12 116.57 123.36 3a7i h LYS 272 Ca -0.49 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 58.83 3a7i h LYS 272 Cb 1.25 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 3a7i h LYS 272 CO 0.61 0.40 0.33 0.35 -2.27 0.00 0.00 179.45 178.88 3a7i h PHE 273 N 0.63 0.87 -0.20 1.91 3.57 -1.90 0.09 116.94 121.89 3a7i h PHE 273 Ca 0.49 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.88 3a7i h PHE 273 Cb 0.91 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.37 3a7i h PHE 273 CO -0.00 0.63 -0.20 0.82 -2.23 0.00 0.00 178.31 177.33 3a7i h ILE 274 N 0.85 1.33 -0.65 1.41 1.08 -1.44 -2.44 117.51 117.66 3a7i h ILE 274 Ca 0.22 -1.36 -0.07 0.00 -0.39 0.00 0.00 64.86 63.26 3a7i h ILE 274 Cb 0.06 1.75 -0.03 0.00 -3.07 0.00 0.00 36.82 35.53 3a7i h ILE 274 CO -0.03 0.41 0.13 -0.07 -0.69 0.00 0.00 178.15 177.90 3a7i h LEU 275 N 0.17 0.99 -0.05 1.44 3.38 -0.89 -1.24 115.31 119.12 3a7i h LEU 275 Ca 0.03 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 3a7i h LEU 275 Cb 0.74 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3a7i h LEU 275 CO 0.05 0.97 -0.50 0.03 0.09 0.00 0.00 178.44 179.08 3a7i h ARG 276 N 0.98 0.00 0.00 1.13 3.08 -1.04 -3.40 114.38 115.14 3a7i h ARG 276 Ca 0.20 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 3a7i h ARG 276 Cb 0.39 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 3a7i h ARG 276 CO 0.01 0.50 -1.17 0.09 -1.07 0.00 0.00 179.97 178.32 3a7i n ASN 277 N -3.24 4.20 -4.74 7.04 3.02 -0.92 -5.02 115.26 115.60 3a7i n ASN 277 Ca 0.02 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.16 3a7i n ASN 277 Cb 0.73 1.03 -0.04 0.00 -0.61 0.00 0.00 39.78 40.88 3a7i n ASN 277 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a7i s ALA 278 N -2.21 3.41 0.01 5.41 0.00 -0.48 -4.41 121.76 123.50 3a7i s ALA 278 Ca -0.01 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.84 3a7i s ALA 278 Cb 0.02 -3.37 -0.00 0.00 0.00 0.00 0.00 23.12 19.77 3a7i s ALA 278 CO 0.14 -0.27 0.00 1.63 0.00 0.00 0.00 175.76 177.27 3a7i n LYS 279 N 2.13 1.26 -1.88 0.00 5.02 -1.26 -4.94 118.16 118.50 3a7i n LYS 279 Ca 0.02 -0.12 -0.39 0.00 -2.02 0.00 0.00 58.31 55.80 3a7i n LYS 279 Cb 0.45 0.05 0.02 0.00 -0.02 0.00 0.00 35.03 35.53 3a7i n LYS 279 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3a7i s LYS 280 N -2.06 3.65 0.52 1.97 1.02 -1.26 -4.85 119.74 118.73 3a7i s LYS 280 Ca 0.00 2.29 0.27 0.00 0.02 0.00 0.00 55.97 58.55 3a7i s LYS 280 Cb 0.00 -2.59 1.41 0.00 -0.52 0.00 0.00 37.83 36.13 3a7i s LYS 280 CO 0.00 -0.80 2.06 1.79 -0.92 0.00 0.00 175.35 177.48 3a7i h THR 281 N 2.15 0.59 -0.22 2.17 1.35 -1.94 -2.51 112.91 114.51 3a7i h THR 281 Ca -0.50 -0.56 0.06 0.00 -0.55 0.00 0.00 66.41 64.86 3a7i h THR 281 Cb 1.27 1.36 -0.01 0.00 -1.73 0.00 0.00 68.15 69.04 3a7i h THR 281 CO 0.61 0.12 0.16 0.77 -0.25 0.00 0.00 175.52 176.93 3a7i h SER 282 N 0.00 0.00 0.63 5.36 4.64 -1.84 0.14 113.55 122.48 3a7i h SER 282 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3a7i h SER 282 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3a7i h SER 282 CO 0.02 0.00 0.00 1.88 -0.87 0.00 0.00 176.83 177.86 3a7i h TYR 283 N 0.00 0.00 0.00 4.77 0.05 -1.75 -1.68 116.97 118.35 3a7i h TYR 283 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.89 3a7i h TYR 283 Cb 0.43 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.17 3a7i h TYR 283 CO 0.00 0.00 0.00 1.28 -1.05 0.00 0.00 178.16 178.39 3a7i n LEU 284 N -2.79 0.17 0.25 3.88 4.77 0.04 -1.84 117.00 121.48 3a7i n LEU 284 Ca 0.00 0.56 0.14 0.00 -0.03 0.00 0.00 56.01 56.67 3a7i n LEU 284 Cb 0.21 -0.55 0.81 0.00 -2.33 0.00 0.00 43.42 41.55 3a7i n LEU 284 CO 0.22 -0.46 1.12 0.71 -1.33 0.00 0.00 177.39 177.65 3a7i h THR 285 N 0.00 0.67 -0.53 -5.08 1.35 -1.47 -1.28 112.91 106.57 3a7i h THR 285 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.81 3a7i h THR 285 Cb 0.16 0.95 -0.02 0.00 -1.73 0.00 0.00 68.15 67.51 3a7i h THR 285 CO 0.00 0.00 0.11 -0.33 -0.25 0.00 0.00 175.52 175.05 3a7i h GLU 286 N 0.00 0.82 -0.11 4.72 4.39 -1.60 0.81 114.58 123.61 3a7i h GLU 286 Ca 0.03 -0.18 -0.19 0.00 0.34 0.00 0.00 59.36 59.37 3a7i h GLU 286 Cb 0.16 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3a7i h GLU 286 CO -0.00 0.75 -0.70 1.25 -1.16 0.00 0.00 179.01 179.15 3a7i h LEU 287 N 0.79 0.57 -0.55 1.33 5.85 -1.45 -0.61 115.31 121.24 3a7i h LEU 287 Ca 0.17 -0.36 -0.07 0.00 0.84 0.00 0.00 57.88 58.46 3a7i h LEU 287 Cb 0.32 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 3a7i h LEU 287 CO 0.00 1.10 0.08 0.40 -0.34 0.00 0.00 178.44 179.69 3a7i h ILE 288 N 0.34 1.26 -0.32 4.05 2.04 -0.96 -1.91 117.51 122.01 3a7i h ILE 288 Ca -0.03 -0.98 -0.09 0.00 1.00 0.00 0.00 64.86 64.76 3a7i h ILE 288 Cb 1.28 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 3a7i h ILE 288 CO 0.13 0.36 -0.18 0.44 0.00 0.00 0.00 178.15 178.89 3a7i h ASP 289 N 0.81 0.58 -0.68 1.72 3.32 -0.74 -1.55 116.42 119.87 3a7i h ASP 289 Ca 0.17 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 3a7i h ASP 289 Cb 0.42 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 3a7i h ASP 289 CO 0.01 0.77 0.29 -0.09 -1.72 0.00 0.00 179.24 178.50 3a7i h ARG 290 N 0.53 1.01 -0.30 3.56 2.43 -0.86 -0.35 114.38 120.40 3a7i h ARG 290 Ca 0.09 -0.17 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 3a7i h ARG 290 Cb 0.60 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3a7i h ARG 290 CO 0.04 0.83 0.05 -0.92 -1.51 0.00 0.00 179.97 178.46 3a7i h TYR 291 N 0.96 0.54 -0.97 2.20 3.20 -1.05 0.05 116.97 121.90 3a7i h TYR 291 Ca 0.23 -0.07 0.05 0.00 3.14 0.00 0.00 58.73 62.08 3a7i h TYR 291 Cb 0.18 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.24 3a7i h TYR 291 CO 0.01 0.59 0.63 0.87 -1.64 0.00 0.00 178.16 178.62 3a7i h LYS 292 N 0.33 1.14 -0.38 1.82 1.57 -0.94 0.93 116.57 121.04 3a7i h LYS 292 Ca 0.09 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 3a7i h LYS 292 Cb 0.34 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3a7i h LYS 292 CO 0.01 0.75 -0.09 0.00 -0.57 0.00 0.00 179.45 179.55 3a7i h ARG 293 N 1.18 0.72 -0.50 3.15 3.08 -0.89 -2.28 114.38 118.85 3a7i h ARG 293 Ca 0.40 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 3a7i h ARG 293 Cb 0.09 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 3a7i h ARG 293 CO -0.15 0.87 0.13 2.35 -1.07 0.00 0.00 179.97 182.10 3a7i h TRP 294 N 0.53 0.83 -0.31 3.04 7.01 -0.62 -2.42 115.95 124.01 3a7i h TRP 294 Ca 0.10 -0.10 -0.05 0.00 2.11 0.00 0.00 58.89 60.95 3a7i h TRP 294 Cb 0.60 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 27.41 3a7i h TRP 294 CO 0.05 0.74 -0.01 -0.22 -2.79 0.00 0.00 178.44 176.21 3a7i h LYS 295 N 0.68 0.47 -0.05 2.65 3.64 -0.77 -1.19 116.57 122.00 3a7i h LYS 295 Ca 0.16 -0.10 -0.14 0.00 -1.27 0.00 0.00 60.65 59.30 3a7i h LYS 295 Cb 0.32 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3a7i h LYS 295 CO 0.00 0.51 -0.59 0.00 -2.27 0.00 0.00 179.45 177.10 3a7i h ALA 296 N 1.55 0.92 -0.01 5.00 0.00 -1.18 -3.03 119.26 122.51 3a7i h ALA 296 Ca 0.10 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3a7i h ALA 296 Cb 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3a7i h ALA 296 CO 0.01 0.73 -0.57 -1.91 0.00 0.00 0.00 179.25 177.50 3a7i n GLU 297 N -3.87 0.62 -1.70 0.00 4.07 -0.93 -4.91 120.64 113.91 3a7i n GLU 297 Ca -0.02 -0.46 -0.43 0.00 -0.06 0.00 0.00 57.16 56.19 3a7i n GLU 297 Cb 0.60 -1.49 -0.03 0.00 -0.06 0.00 0.00 31.44 30.46 3a7i n GLU 297 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 3a7i n GLN 298 N -0.79 2.73 0.00 5.31 7.27 -0.49 -5.10 117.38 126.31 3a7i n GLN 298 Ca 0.08 0.99 0.14 0.00 0.07 0.00 0.00 57.00 58.28 3a7i n GLN 298 Cb 0.38 -2.85 0.56 0.00 2.41 0.00 0.00 30.24 30.74 3a7i n GLN 298 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56