#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a3g s PHE 2 N 0.00 1.95 -0.60 2.03 0.08 0.11 -4.93 117.98 116.62 3a3g s PHE 2 Ca 0.00 -0.46 0.25 0.00 0.12 0.00 0.00 56.93 56.84 3a3g s PHE 2 Cb 0.00 -0.91 0.69 0.00 -0.57 0.00 0.00 43.02 42.23 3a3g s PHE 2 CO 0.00 0.46 1.73 0.87 -0.10 0.00 0.00 175.22 178.18 3a3g h LYS 3 N 2.72 0.00 -5.01 0.44 1.57 -1.90 0.55 116.57 114.94 3a3g h LYS 3 Ca -0.40 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 57.97 3a3g h LYS 3 Cb 1.23 0.00 0.06 0.00 0.08 0.00 0.00 32.23 33.60 3a3g h LYS 3 CO 0.57 0.00 -0.63 0.41 -0.57 0.00 0.00 179.45 179.23 3a3g n GLY 4 N 1.14 -0.53 3.21 3.86 0.00 -1.26 -4.46 105.19 107.15 3a3g n GLY 4 Ca 0.05 0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 3a3g n GLY 4 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a3g s ILE 5 N -3.20 3.12 0.18 -0.61 1.01 -1.26 -1.69 121.20 118.76 3a3g s ILE 5 Ca 0.40 -1.15 -0.31 0.00 0.00 0.00 0.00 60.65 59.60 3a3g s ILE 5 Cb -0.18 -2.69 -0.09 0.00 0.01 0.00 0.00 42.46 39.50 3a3g s ILE 5 CO 0.50 0.02 1.46 -0.69 0.00 0.00 0.00 174.94 176.23 3a3g s VAL 6 N 1.32 2.86 -0.10 2.92 1.01 -1.26 -4.80 120.40 122.34 3a3g s VAL 6 Ca -0.02 0.66 0.21 0.00 0.00 0.00 0.00 61.98 62.83 3a3g s VAL 6 Cb -0.18 -3.42 -0.23 0.00 0.00 0.00 0.00 36.38 32.55 3a3g s VAL 6 CO -0.02 0.07 0.61 0.00 0.00 0.00 0.00 175.10 175.77 3a3g n GLN 7 N 3.29 0.65 -3.12 2.72 6.02 0.12 -4.95 117.38 122.10 3a3g n GLN 7 Ca 0.10 -0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 3a3g n GLN 7 Cb 0.40 -1.62 0.00 0.00 1.02 0.00 0.00 30.24 30.04 3a3g n GLN 7 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3a3g n GLY 8 N 1.30 -1.28 3.36 1.08 0.00 -1.17 -5.01 105.19 103.48 3a3g n GLY 8 Ca -0.06 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.71 3a3g n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a3g s ALA 9 N -1.37 2.54 0.18 4.61 0.00 -1.26 -0.91 121.76 125.55 3a3g s ALA 9 Ca 0.00 -0.92 0.05 0.00 0.00 0.00 0.00 51.96 51.09 3a3g s ALA 9 Cb 0.00 -1.09 -0.04 0.00 0.00 0.00 0.00 23.12 21.99 3a3g s ALA 9 CO 0.00 0.32 0.16 0.20 0.00 0.00 0.00 175.76 176.44 3a3g s GLY 10 N 0.14 1.66 -0.14 0.00 0.00 0.91 -4.27 107.32 105.63 3a3g s GLY 10 Ca -0.08 -1.22 0.02 0.00 0.00 0.00 0.00 44.72 43.43 3a3g s GLY 10 CO 0.05 -1.24 -0.19 -0.42 0.00 0.00 0.00 173.10 171.31 3a3g s ILE 11 N -1.81 1.83 0.08 0.90 -1.09 -0.97 -0.20 121.20 119.93 3a3g s ILE 11 Ca 0.32 -0.83 -0.31 0.00 -2.23 0.00 0.00 60.65 57.60 3a3g s ILE 11 Cb -0.10 -1.64 -0.08 0.00 -1.58 0.00 0.00 42.46 39.06 3a3g s ILE 11 CO 0.24 0.50 1.58 -0.63 -1.23 0.00 0.00 174.94 175.40 3a3g s ILE 12 N 1.02 3.10 -0.11 2.92 1.01 -0.09 -0.96 121.20 128.10 3a3g s ILE 12 Ca -0.04 0.61 0.12 0.00 0.00 0.00 0.00 60.65 61.35 3a3g s ILE 12 Cb -0.15 -3.39 -0.18 0.00 0.01 0.00 0.00 42.46 38.75 3a3g s ILE 12 CO -0.05 0.01 0.10 1.17 0.00 0.00 0.00 174.94 176.17 3a3g n LYS 13 N 5.19 1.54 -3.76 2.79 4.81 0.57 -0.07 118.16 129.23 3a3g n LYS 13 Ca 0.15 -0.03 -0.13 0.00 -0.87 0.00 0.00 58.31 57.43 3a3g n LYS 13 Cb 0.41 -1.34 -0.11 0.00 0.02 0.00 0.00 35.03 34.01 3a3g n LYS 13 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3a3g s LYS 14 N -2.46 0.37 -0.13 1.64 2.20 -0.97 -4.88 119.74 115.51 3a3g s LYS 14 Ca -0.06 0.47 -0.00 0.00 -0.36 0.00 0.00 55.97 56.01 3a3g s LYS 14 Cb 0.05 0.17 0.03 0.00 -1.51 0.00 0.00 37.83 36.56 3a3g s LYS 14 CO 0.55 -0.05 -0.08 0.42 -0.36 0.00 0.00 175.35 175.83 3a3g s ILE 15 N 0.26 1.08 -0.19 5.43 1.01 -1.26 -0.85 121.20 126.68 3a3g s ILE 15 Ca -0.01 -0.38 -0.02 0.00 0.00 0.00 0.00 60.65 60.24 3a3g s ILE 15 Cb -0.03 -1.12 -0.01 0.00 0.01 0.00 0.00 42.46 41.31 3a3g s ILE 15 CO -0.00 0.33 -0.08 -0.44 0.00 0.00 0.00 174.94 174.74 3a3g s SER 16 N 1.68 4.10 0.43 3.58 0.01 -0.03 -4.97 113.70 118.50 3a3g s SER 16 Ca 0.04 -0.40 0.08 0.00 1.31 0.00 0.00 55.95 56.98 3a3g s SER 16 Cb -0.13 -1.68 -0.00 0.00 0.21 0.00 0.00 66.02 64.42 3a3g s SER 16 CO -0.08 0.03 0.45 -0.54 0.41 0.00 0.00 173.24 173.51 3a3g s LYS 17 N 1.14 2.59 0.00 12.44 1.02 -1.26 0.03 119.74 135.70 3a3g s LYS 17 Ca 0.01 -1.48 0.00 0.00 0.02 0.00 0.00 55.97 54.52 3a3g s LYS 17 Cb -0.14 -2.48 0.00 0.00 -0.52 0.00 0.00 37.83 34.68 3a3g s LYS 17 CO -0.02 -0.27 0.00 0.09 -0.92 0.00 0.00 175.35 174.23 3a3g n ASN 18 N -1.68 -1.47 0.00 2.83 3.02 -0.68 -4.96 115.26 112.33 3a3g n ASN 18 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 3a3g n ASN 18 Cb 0.61 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 3a3g n ASN 18 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3a3g n ASP 19 N -0.15 0.00 -2.25 6.41 9.92 -1.26 -4.67 116.55 124.55 3a3g n ASP 19 Ca 0.00 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 53.98 3a3g n ASP 19 Cb 0.00 0.00 0.13 0.00 -0.64 0.00 0.00 41.12 40.61 3a3g n ASP 19 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 3a3g n ASP 20 N 0.00 5.47 -4.15 -2.24 5.68 -1.26 -4.92 116.55 115.14 3a3g n ASP 20 Ca 0.00 -3.66 -0.14 0.00 -0.50 0.00 0.00 54.79 50.50 3a3g n ASP 20 Cb 0.00 -0.90 -0.11 0.00 -1.14 0.00 0.00 41.12 38.97 3a3g n ASP 20 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3a3g s THR 21 N -3.89 0.81 -0.02 2.12 2.01 -1.26 -4.85 115.64 110.56 3a3g s THR 21 Ca 0.59 -1.53 0.03 0.00 0.31 0.00 0.00 61.69 61.09 3a3g s THR 21 Cb 0.48 -1.21 -0.00 0.00 0.01 0.00 0.00 72.50 71.78 3a3g s THR 21 CO 0.06 -0.55 -0.10 -1.10 -0.69 0.00 0.00 174.62 172.23 3a3g s GLN 22 N -2.61 0.97 -0.24 4.92 -0.21 -0.98 -1.69 119.66 119.81 3a3g s GLN 22 Ca 0.02 -0.35 -0.10 0.00 0.02 0.00 0.00 55.36 54.95 3a3g s GLN 22 Cb -0.04 -0.91 -0.05 0.00 1.00 0.00 0.00 33.01 33.02 3a3g s GLN 22 CO -0.01 0.17 0.15 0.50 -2.12 0.00 0.00 175.29 173.99 3a3g s ARG 23 N -0.00 4.02 -0.23 2.91 3.52 0.10 0.57 118.95 129.84 3a3g s ARG 23 Ca -0.00 -0.30 -0.06 0.00 -0.13 0.00 0.00 55.73 55.24 3a3g s ARG 23 Cb -0.07 -3.53 -0.03 0.00 -1.56 0.00 0.00 34.95 29.77 3a3g s ARG 23 CO 0.00 0.01 0.04 -1.01 -0.81 0.00 0.00 175.30 173.53 3a3g s HIS 24 N 1.19 3.06 -0.17 5.12 3.76 -0.64 -0.85 115.29 126.76 3a3g s HIS 24 Ca 0.07 -0.48 -0.11 0.00 -0.15 0.00 0.00 55.06 54.39 3a3g s HIS 24 Cb -0.14 -2.18 -0.05 0.00 1.11 0.00 0.00 32.58 31.32 3a3g s HIS 24 CO 0.05 -0.34 0.19 0.20 -0.85 0.00 0.00 174.74 174.00 3a3g s GLY 25 N 1.41 2.12 -0.07 -2.22 0.00 -0.03 -1.71 107.32 106.82 3a3g s GLY 25 Ca 0.05 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.18 3a3g s GLY 25 CO 0.02 0.18 -0.06 -0.42 0.00 0.00 0.00 173.10 172.83 3a3g s ILE 26 N 0.21 0.74 -0.04 0.90 1.01 0.51 -0.32 121.20 124.21 3a3g s ILE 26 Ca 0.12 -0.17 -0.30 0.00 0.00 0.00 0.00 60.65 60.30 3a3g s ILE 26 Cb -0.12 -0.77 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 3a3g s ILE 26 CO 0.01 0.30 1.27 -0.89 0.00 0.00 0.00 174.94 175.62 3a3g s THR 27 N 1.35 4.08 0.06 2.92 2.01 -0.13 -0.42 115.64 125.51 3a3g s THR 27 Ca -0.03 1.42 0.02 0.00 0.31 0.00 0.00 61.69 63.41 3a3g s THR 27 Cb -0.14 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 3a3g s THR 27 CO -0.03 -0.01 0.09 -0.36 -0.69 0.00 0.00 174.62 173.63 3a3g s PHE 28 N 2.33 3.25 0.75 4.92 0.40 0.27 -2.30 117.98 127.61 3a3g s PHE 28 Ca 0.58 0.13 -0.13 0.00 -0.60 0.00 0.00 56.93 56.92 3a3g s PHE 28 Cb -0.27 -1.67 0.05 0.00 0.51 0.00 0.00 43.02 41.65 3a3g s PHE 28 CO 0.23 0.54 1.13 -1.25 0.70 0.00 0.00 175.22 176.56 3a3g s PRO 29 N -2.24 2.20 0.17 0.24 0.04 -1.26 -4.80 135.00 129.35 3a3g s PRO 29 Ca 0.28 1.40 -0.15 0.00 0.04 0.00 0.00 61.00 62.58 3a3g s PRO 29 Cb -0.12 -1.87 0.11 0.00 0.04 0.00 0.00 34.50 32.65 3a3g s PRO 29 CO 0.21 -1.72 1.73 -0.22 0.04 0.00 0.00 177.00 177.04 3a3g h LYS 30 N -0.75 0.23 -0.19 4.56 1.63 -1.98 -0.22 116.57 119.86 3a3g h LYS 30 Ca -0.45 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.32 3a3g h LYS 30 Cb 1.25 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.82 3a3g h LYS 30 CO 0.50 0.15 0.06 0.38 -3.45 0.00 0.00 179.45 177.10 3a3g h ASP 31 N 0.23 0.27 -0.41 4.20 2.03 -1.99 0.36 116.42 121.12 3a3g h ASP 31 Ca 0.19 -0.19 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 3a3g h ASP 31 Cb 0.22 -0.07 -0.02 0.00 -0.83 0.00 0.00 39.33 38.63 3a3g h ASP 31 CO -0.24 0.39 0.23 0.40 -1.03 0.00 0.00 179.24 178.99 3a3g h ILE 32 N 0.13 1.15 -0.64 4.15 2.04 -1.93 -2.44 117.51 119.96 3a3g h ILE 32 Ca 0.06 -0.37 0.14 0.00 1.00 0.00 0.00 64.86 65.69 3a3g h ILE 32 Cb 0.21 0.65 -0.11 0.00 -0.74 0.00 0.00 36.82 36.83 3a3g h ILE 32 CO -0.00 0.15 -0.01 0.25 0.00 0.00 0.00 178.15 178.54 3a3g h LEU 33 N 0.53 -0.30 -0.50 1.44 5.85 -0.73 -0.95 115.31 120.64 3a3g h LEU 33 Ca 0.14 0.16 0.00 0.00 0.84 0.00 0.00 57.88 59.03 3a3g h LEU 33 Cb 0.04 0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.36 3a3g h LEU 33 CO -0.02 -0.13 0.00 -0.62 -0.34 0.00 0.00 178.44 177.33 3a3g n GLU 34 N -5.30 0.15 0.00 1.25 -0.58 0.09 -2.13 120.64 114.13 3a3g n GLU 34 Ca 0.10 0.37 0.12 0.00 -0.42 0.00 0.00 57.16 57.33 3a3g n GLU 34 Cb 0.37 -1.78 0.20 0.00 -0.57 0.00 0.00 31.44 29.66 3a3g n GLU 34 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3a3g n SER 35 N -2.07 1.10 -4.59 1.62 3.41 -0.38 -4.95 113.62 107.77 3a3g n SER 35 Ca 0.03 -0.88 -0.24 0.00 -0.26 0.00 0.00 58.87 57.51 3a3g n SER 35 Cb 0.23 0.36 -0.09 0.00 -0.26 0.00 0.00 64.21 64.45 3a3g n SER 35 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3a3g s VAL 36 N -2.69 2.80 0.35 -3.33 -7.23 -0.90 -5.08 120.40 104.32 3a3g s VAL 36 Ca 0.18 -2.09 -0.05 0.00 -1.81 0.00 0.00 61.98 58.21 3a3g s VAL 36 Cb 0.18 -2.67 0.01 0.00 0.56 0.00 0.00 36.38 34.46 3a3g s VAL 36 CO 0.62 -0.31 0.52 -1.83 -0.31 0.00 0.00 175.10 173.80 3a3g s GLU 37 N -3.64 1.95 0.21 4.82 -1.05 -1.26 -4.98 118.70 114.75 3a3g s GLU 37 Ca 0.32 -1.70 -0.32 0.00 -0.15 0.00 0.00 54.97 53.12 3a3g s GLU 37 Cb -0.03 0.47 -0.13 0.00 -0.44 0.00 0.00 34.13 34.00 3a3g s GLU 37 CO 0.18 -0.83 1.51 1.63 0.95 0.00 0.00 175.26 178.71 3a3g n LYS 38 N -0.56 2.20 0.00 -4.83 5.02 -1.26 -1.84 118.16 116.89 3a3g n LYS 38 Ca -0.00 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 57.07 3a3g n LYS 38 Cb 0.61 -2.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.11 3a3g n LYS 38 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a3g n GLY 39 N 2.73 1.81 3.70 0.72 0.00 -0.30 -5.00 105.19 108.86 3a3g n GLY 39 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3a3g n GLY 39 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a3g s THR 40 N -2.42 2.75 -0.24 2.61 2.01 -0.77 -4.66 115.64 114.92 3a3g s THR 40 Ca 0.00 0.36 -0.14 0.00 0.31 0.00 0.00 61.69 62.23 3a3g s THR 40 Cb 0.00 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.23 3a3g s THR 40 CO 0.00 0.01 0.32 -0.69 -0.69 0.00 0.00 174.62 173.57 3a3g s VAL 41 N 2.10 5.24 0.27 3.82 1.01 -1.26 -1.06 120.40 130.52 3a3g s VAL 41 Ca 0.74 0.49 -0.01 0.00 0.00 0.00 0.00 61.98 63.20 3a3g s VAL 41 Cb -0.43 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 3a3g s VAL 41 CO 0.33 0.24 0.31 0.00 0.00 0.00 0.00 175.10 175.97 3a3g s MET 42 N 1.55 1.56 -0.18 2.72 0.23 -0.41 -4.60 119.30 120.17 3a3g s MET 42 Ca 0.14 -1.69 -0.15 0.00 -1.03 0.00 0.00 55.69 52.96 3a3g s MET 42 Cb -0.15 0.36 -0.04 0.00 -1.53 0.00 0.00 34.83 33.47 3a3g s MET 42 CO 0.08 -0.59 0.35 -0.51 -2.03 0.00 0.00 175.02 172.32 3a3g s LEU 43 N -3.20 4.19 -0.17 0.18 1.43 -0.33 -1.20 118.68 119.58 3a3g s LEU 43 Ca 0.35 0.50 0.01 0.00 -1.03 0.00 0.00 54.13 53.95 3a3g s LEU 43 Cb 0.03 -2.44 0.01 0.00 0.03 0.00 0.00 46.19 43.82 3a3g s LEU 43 CO 0.17 0.00 -0.18 -0.69 0.23 0.00 0.00 176.35 175.88 3a3g s VAL 44 N 0.94 2.27 -1.72 -1.59 1.01 -0.25 -1.93 120.40 119.13 3a3g s VAL 44 Ca 0.18 -0.88 -0.16 0.00 0.00 0.00 0.00 61.98 61.12 3a3g s VAL 44 Cb -0.14 -1.95 0.15 0.00 0.00 0.00 0.00 36.38 34.43 3a3g s VAL 44 CO 0.06 0.53 0.56 0.59 0.00 0.00 0.00 175.10 176.84 3a3g n ASN 45 N 4.47 -1.82 0.00 3.32 3.02 -0.15 -0.50 115.26 123.60 3a3g n ASN 45 Ca -0.20 -1.14 0.00 0.00 -0.03 0.00 0.00 54.58 53.21 3a3g n ASN 45 Cb 0.51 -2.19 0.00 0.00 -0.61 0.00 0.00 39.78 37.49 3a3g n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a3g n GLY 46 N -1.51 1.48 3.60 7.41 0.00 -1.16 -3.65 105.19 111.35 3a3g n GLY 46 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3a3g n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a3g s SER 48 N 0.58 6.80 0.04 0.00 0.15 -0.19 -1.09 113.70 120.00 3a3g s SER 48 Ca 0.03 2.01 -0.02 0.00 0.70 0.00 0.00 55.95 58.67 3a3g s SER 48 Cb -0.13 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.61 3a3g s SER 48 CO 0.01 -0.83 0.01 -0.76 1.20 0.00 0.00 173.24 172.87 3a3g s LEU 49 N 3.54 2.23 -0.19 3.45 1.43 -0.34 -4.96 118.68 123.84 3a3g s LEU 49 Ca 0.65 -0.76 -0.07 0.00 -1.03 0.00 0.00 54.13 52.92 3a3g s LEU 49 Cb -0.29 0.31 -0.04 0.00 0.03 0.00 0.00 46.19 46.20 3a3g s LEU 49 CO 0.23 -0.51 0.05 -0.89 0.23 0.00 0.00 176.35 175.46 3a3g s THR 50 N -3.04 4.59 0.06 5.49 2.01 -1.26 -1.29 115.64 122.20 3a3g s THR 50 Ca -0.01 -0.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.58 3a3g s THR 50 Cb 0.02 -3.08 -0.09 0.00 0.01 0.00 0.00 72.50 69.36 3a3g s THR 50 CO -0.07 0.45 1.83 -0.69 -0.69 0.00 0.00 174.62 175.44 3a3g s VAL 51 N 0.56 2.94 -0.04 3.82 1.01 -0.22 -4.40 120.40 124.06 3a3g s VAL 51 Ca 0.02 0.20 0.19 0.00 0.00 0.00 0.00 61.98 62.39 3a3g s VAL 51 Cb -0.13 -3.13 -0.29 0.00 0.00 0.00 0.00 36.38 32.83 3a3g s VAL 51 CO 0.01 -0.01 0.42 1.33 0.00 0.00 0.00 175.10 176.85 3a3g n VAL 52 N 5.13 0.00 -3.62 2.92 0.24 -0.03 -1.14 118.33 121.82 3a3g n VAL 52 Ca 0.18 -0.42 -0.09 0.00 -2.04 0.00 0.00 64.34 61.97 3a3g n VAL 52 Cb 0.40 0.09 -0.06 0.00 -1.47 0.00 0.00 33.84 32.80 3a3g n VAL 52 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3a3g s ARG 53 N -3.30 0.50 -0.06 7.34 3.52 -1.23 -4.92 118.95 120.81 3a3g s ARG 53 Ca -0.07 0.43 0.02 0.00 -0.13 0.00 0.00 55.73 55.98 3a3g s ARG 53 Cb 0.12 0.24 0.02 0.00 -1.56 0.00 0.00 34.95 33.77 3a3g s ARG 53 CO 0.78 -0.09 -0.10 0.42 -0.81 0.00 0.00 175.30 175.50 3a3g s ILE 54 N -0.19 0.96 -0.20 4.11 1.01 -1.26 -0.68 121.20 124.95 3a3g s ILE 54 Ca 0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 60.65 60.28 3a3g s ILE 54 Cb -0.04 -0.90 0.06 0.00 0.01 0.00 0.00 42.46 41.59 3a3g s ILE 54 CO -0.04 0.32 -0.00 -0.55 0.00 0.00 0.00 174.94 174.66 3a3g s SER 55 N 0.76 3.16 1.66 3.58 0.15 -0.07 -5.01 113.70 117.92 3a3g s SER 55 Ca -0.13 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 55.62 3a3g s SER 55 Cb -0.15 -0.81 0.00 0.00 -1.71 0.00 0.00 66.02 63.35 3a3g s SER 55 CO 0.02 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.81 3a3g n GLY 56 N 4.92 2.69 1.38 9.45 0.00 -1.26 -1.69 105.19 120.68 3a3g n GLY 56 Ca -0.10 -0.26 0.09 0.00 0.00 0.00 0.00 46.02 45.75 3a3g n GLY 56 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3a3g n ASP 57 N 6.24 4.06 -4.61 1.61 5.75 -1.26 -4.89 116.55 123.45 3a3g n ASP 57 Ca 0.00 -2.24 -0.38 0.00 -0.01 0.00 0.00 54.79 52.16 3a3g n ASP 57 Cb 0.00 -0.51 -0.10 0.00 -1.03 0.00 0.00 41.12 39.48 3a3g n ASP 57 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3a3g s VAL 58 N -1.53 5.30 -0.19 2.12 1.01 -0.68 -0.56 120.40 125.87 3a3g s VAL 58 Ca 0.46 0.25 -0.02 0.00 0.00 0.00 0.00 61.98 62.66 3a3g s VAL 58 Cb 0.27 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 3a3g s VAL 58 CO 0.26 0.26 -0.08 -0.69 0.00 0.00 0.00 175.10 174.85 3a3g s VAL 59 N 1.62 3.21 0.01 2.92 1.01 0.44 -0.89 120.40 128.72 3a3g s VAL 59 Ca 0.09 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 3a3g s VAL 59 Cb -0.15 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 3a3g s VAL 59 CO 0.09 0.46 0.13 -0.31 0.00 0.00 0.00 175.10 175.47 3a3g s TYR 60 N 1.09 3.38 -0.02 5.22 2.02 0.15 -0.36 117.35 128.83 3a3g s TYR 60 Ca 0.01 0.25 -0.01 0.00 -0.37 0.00 0.00 57.07 56.94 3a3g s TYR 60 Cb -0.15 -1.76 0.01 0.00 -0.40 0.00 0.00 41.96 39.67 3a3g s TYR 60 CO -0.01 0.58 0.05 -0.06 -1.57 0.00 0.00 175.55 174.54 3a3g s PHE 61 N -1.28 -0.04 -0.29 2.71 0.08 -0.69 -0.85 117.98 117.61 3a3g s PHE 61 Ca 0.26 0.14 -0.15 0.00 0.12 0.00 0.00 56.93 57.30 3a3g s PHE 61 Cb -0.12 -0.03 -0.03 0.00 -0.57 0.00 0.00 43.02 42.26 3a3g s PHE 61 CO 0.18 -0.04 0.38 -0.51 -0.10 0.00 0.00 175.22 175.12 3a3g s ASP 62 N 0.29 6.24 -0.40 1.36 1.01 -1.26 -1.62 116.67 122.28 3a3g s ASP 62 Ca -0.02 0.16 -0.20 0.00 0.71 0.00 0.00 52.55 53.20 3a3g s ASP 62 Cb -0.03 -2.21 0.01 0.00 1.01 0.00 0.00 42.92 41.70 3a3g s ASP 62 CO -0.01 -0.23 0.59 -0.63 0.21 0.00 0.00 175.17 175.10 3a3g s ILE 63 N 2.08 4.90 0.00 0.77 -1.09 0.19 -4.84 121.20 123.21 3a3g s ILE 63 Ca 0.14 0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.75 3a3g s ILE 63 Cb -0.16 -4.12 0.00 0.00 -1.58 0.00 0.00 42.46 36.60 3a3g s ILE 63 CO 0.11 -0.45 0.00 -0.90 -1.23 0.00 0.00 174.94 172.46 3a3g n ASP 64 N 6.05 0.00 -0.33 3.58 5.68 -1.26 -2.31 116.55 127.96 3a3g n ASP 64 Ca -0.03 0.00 0.21 0.00 -0.50 0.00 0.00 54.79 54.47 3a3g n ASP 64 Cb 0.48 0.00 0.42 0.00 -1.14 0.00 0.00 41.12 40.88 3a3g n ASP 64 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 3a3g h GLN 65 N 0.00 0.34 -0.00 0.11 4.20 -1.94 -1.20 115.11 116.61 3a3g h GLN 65 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3a3g h GLN 65 Cb 0.00 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.70 3a3g h GLN 65 CO 0.00 0.22 -0.09 0.00 -0.67 0.00 0.00 178.83 178.29 3a3g n ALA 66 N -2.37 2.70 -0.05 3.87 0.00 -1.26 -4.51 120.51 118.88 3a3g n ALA 66 Ca 0.29 -0.23 0.03 0.00 0.00 0.00 0.00 53.44 53.53 3a3g n ALA 66 Cb 0.88 -1.37 0.38 0.00 0.00 0.00 0.00 19.45 19.34 3a3g n ALA 66 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3a3g h ILE 67 N 0.36 1.12 -0.00 0.00 6.09 -1.48 -2.69 117.51 120.91 3a3g h ILE 67 Ca 0.00 -0.23 0.00 0.00 -1.37 0.00 0.00 64.86 63.26 3a3g h ILE 67 Cb 0.35 0.40 0.00 0.00 0.47 0.00 0.00 36.82 38.04 3a3g h ILE 67 CO 0.00 0.12 -0.43 0.59 -3.07 0.00 0.00 178.15 175.36 3a3g n ASN 68 N -4.46 0.63 -0.20 2.19 5.03 -1.26 -4.32 115.26 112.86 3a3g n ASN 68 Ca 0.05 -0.41 0.03 0.00 0.87 0.00 0.00 54.58 55.12 3a3g n ASN 68 Cb 0.06 0.22 0.05 0.00 -1.02 0.00 0.00 39.78 39.09 3a3g n ASN 68 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 3a3g n THR 69 N -1.28 0.81 -4.22 3.41 -2.24 -1.02 -5.03 114.28 104.70 3a3g n THR 69 Ca 0.07 -0.94 -0.17 0.00 -2.27 0.00 0.00 64.05 60.74 3a3g n THR 69 Cb 0.34 0.32 -0.07 0.00 -2.10 0.00 0.00 70.33 68.81 3a3g n THR 69 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3a3g s THR 70 N -1.15 0.00 -1.08 4.28 -4.23 -1.18 -4.24 115.64 108.04 3a3g s THR 70 Ca 0.11 -1.89 0.25 0.00 -1.18 0.00 0.00 61.69 58.98 3a3g s THR 70 Cb 0.10 -2.53 0.02 0.00 1.34 0.00 0.00 72.50 71.42 3a3g s THR 70 CO 0.01 0.00 1.40 0.35 -0.54 0.00 0.00 174.62 175.84 3a3g n THR 71 N -0.56 0.00 -0.32 3.99 -2.24 -1.26 -4.46 114.28 109.42 3a3g n THR 71 Ca 0.05 -0.01 0.14 0.00 -2.27 0.00 0.00 64.05 61.95 3a3g n THR 71 Cb 0.63 0.31 0.32 0.00 -2.10 0.00 0.00 70.33 69.49 3a3g n THR 71 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3a3g h PHE 72 N 0.13 0.84 0.00 4.78 0.04 -1.92 -1.17 116.94 119.65 3a3g h PHE 72 Ca 0.00 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.81 3a3g h PHE 72 Cb 0.50 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.42 3a3g h PHE 72 CO 0.00 0.06 0.00 2.89 -0.60 0.00 0.00 178.31 180.66 3a3g n ARG 73 N -4.93 0.07 0.00 1.51 1.85 -1.26 -1.32 116.66 112.58 3a3g n ARG 73 Ca 0.23 0.38 0.06 0.00 -1.00 0.00 0.00 57.85 57.52 3a3g n ARG 73 Cb 0.64 -1.65 -0.01 0.00 -1.05 0.00 0.00 32.46 30.39 3a3g n ARG 73 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3a3g n GLU 74 N -1.79 2.28 -1.02 2.89 1.02 -0.45 -5.03 120.64 118.54 3a3g n GLU 74 Ca 0.02 -0.52 -0.31 0.00 -0.02 0.00 0.00 57.16 56.33 3a3g n GLU 74 Cb 0.14 -1.10 0.13 0.00 -0.02 0.00 0.00 31.44 30.59 3a3g n GLU 74 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3a3g s LEU 75 N -1.88 2.82 0.15 -4.62 1.43 -0.43 -5.07 118.68 111.07 3a3g s LEU 75 Ca 0.08 1.92 0.07 0.00 -1.03 0.00 0.00 54.13 55.17 3a3g s LEU 75 Cb 0.09 -4.45 -0.04 0.00 0.03 0.00 0.00 46.19 41.82 3a3g s LEU 75 CO 0.32 -2.56 -0.15 -1.61 0.23 0.00 0.00 176.35 172.58 3a3g s GLU 76 N -4.80 1.14 0.18 1.70 2.02 -1.26 -5.07 118.70 112.61 3a3g s GLU 76 Ca 0.64 -1.35 -0.33 0.00 0.02 0.00 0.00 54.97 53.95 3a3g s GLU 76 Cb -0.20 -1.05 -0.15 0.00 0.10 0.00 0.00 34.13 32.83 3a3g s GLU 76 CO 0.57 0.20 1.30 0.28 0.02 0.00 0.00 175.26 177.64 3a3g n VAL 77 N 0.31 0.69 0.00 2.63 0.31 -1.26 -1.57 118.33 119.44 3a3g n VAL 77 Ca -0.14 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 3a3g n VAL 77 Cb 0.58 -1.10 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 3a3g n VAL 77 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3a3g n GLY 78 N 2.28 2.41 3.76 2.92 0.00 0.90 -4.97 105.19 112.48 3a3g n GLY 78 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 3a3g n GLY 78 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a3g s ASN 79 N -1.35 5.98 -0.15 1.61 0.01 -0.61 -4.66 114.94 115.77 3a3g s ASN 79 Ca 0.00 2.48 -0.14 0.00 -0.71 0.00 0.00 52.86 54.49 3a3g s ASN 79 Cb 0.00 -2.62 -0.05 0.00 0.41 0.00 0.00 41.25 39.00 3a3g s ASN 79 CO 0.00 -1.06 0.31 -0.75 -1.51 0.00 0.00 177.10 174.09 3a3g s LYS 80 N -2.66 4.23 0.12 -0.60 2.20 -1.26 -0.92 119.74 120.85 3a3g s LYS 80 Ca 0.64 0.13 0.10 0.00 -0.36 0.00 0.00 55.97 56.48 3a3g s LYS 80 Cb -0.33 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.54 3a3g s LYS 80 CO 0.40 0.26 -0.25 0.14 -0.36 0.00 0.00 175.35 175.55 3a3g s VAL 81 N 0.38 2.05 0.14 4.02 -7.23 0.72 -4.86 120.40 115.61 3a3g s VAL 81 Ca 0.17 -1.66 -0.28 0.00 -1.81 0.00 0.00 61.98 58.41 3a3g s VAL 81 Cb -0.13 -1.83 -0.07 0.00 0.56 0.00 0.00 36.38 34.91 3a3g s VAL 81 CO 0.05 0.05 0.88 0.20 -0.31 0.00 0.00 175.10 175.96 3a3g s ASN 82 N -1.95 7.45 -0.06 4.85 0.01 -1.26 -0.06 114.94 123.91 3a3g s ASN 82 Ca 0.11 1.73 0.06 0.00 -0.71 0.00 0.00 52.86 54.05 3a3g s ASN 82 Cb -0.10 -2.55 -0.01 0.00 0.41 0.00 0.00 41.25 39.00 3a3g s ASN 82 CO 0.05 0.06 -0.25 -0.76 -1.51 0.00 0.00 177.10 174.69 3a3g s LEU 83 N -0.53 2.07 -0.07 0.60 1.43 -0.09 -0.98 118.68 121.11 3a3g s LEU 83 Ca 0.41 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 52.97 3a3g s LEU 83 Cb -0.23 -1.37 0.04 0.00 0.03 0.00 0.00 46.19 44.65 3a3g s LEU 83 CO 0.28 0.24 0.14 -0.70 0.23 0.00 0.00 176.35 176.54 3a3g s GLU 84 N -0.14 0.06 -0.13 1.70 2.12 -0.81 0.14 118.70 121.63 3a3g s GLU 84 Ca -0.04 0.42 -0.06 0.00 0.36 0.00 0.00 54.97 55.65 3a3g s GLU 84 Cb -0.14 -0.23 -0.04 0.00 0.26 0.00 0.00 34.13 33.98 3a3g s GLU 84 CO 0.04 -0.22 0.07 0.08 -0.54 0.00 0.00 175.26 174.69 3a3g s VAL 85 N 1.56 4.91 0.00 3.70 1.01 -1.26 -1.18 120.40 129.14 3a3g s VAL 85 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.92 3a3g s VAL 85 Cb -0.12 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.12 3a3g s VAL 85 CO -0.06 0.56 0.00 -1.14 0.00 0.00 0.00 175.10 174.46 3a3g n ARG 86 N 2.56 2.88 -0.05 2.72 3.00 -1.26 -5.02 116.66 121.49 3a3g n ARG 86 Ca -0.18 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.57 3a3g n ARG 86 Cb 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.96 3a3g n ARG 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3a3g n GLY 94 N 4.51 -0.27 0.33 5.14 0.00 -1.26 -5.16 105.19 108.49 3a3g n GLY 94 Ca 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 46.02 45.87 3a3g n GLY 94 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3a3g h LYS 95 N -0.51 1.02 -0.60 1.61 3.64 -2.00 -2.92 116.57 116.81 3a3g h LYS 95 Ca -0.17 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 3a3g h LYS 95 Cb 0.90 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 3a3g h LYS 95 CO -0.11 0.80 0.00 0.41 -2.27 0.00 0.00 179.45 178.28 3a3g n GLY 96 N -1.06 1.74 3.65 5.01 0.00 -1.26 -4.91 105.19 108.36 3a3g n GLY 96 Ca 0.07 -0.52 -0.46 0.00 0.00 0.00 0.00 46.02 45.10 3a3g n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a3g n ALA 97 N 0.60 0.80 -2.75 4.61 0.00 -1.11 -4.53 120.51 118.15 3a3g n ALA 97 Ca 0.16 0.43 -0.32 0.00 0.00 0.00 0.00 53.44 53.71 3a3g n ALA 97 Cb 0.60 -2.25 -0.07 0.00 0.00 0.00 0.00 19.45 17.73 3a3g n ALA 97 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3a3g s LEU 98 N 0.40 3.74 0.05 0.00 1.43 0.19 -4.90 118.68 119.58 3a3g s LEU 98 Ca 0.73 0.04 0.15 0.00 -1.03 0.00 0.00 54.13 54.02 3a3g s LEU 98 Cb -0.70 -2.25 -0.15 0.00 0.03 0.00 0.00 46.19 43.11 3a3g s LEU 98 CO 0.47 0.24 0.84 0.71 0.23 0.00 0.00 176.35 178.84 3a3g h THR 99 N 3.12 0.68 0.00 5.49 1.35 -1.93 0.32 112.91 121.94 3a3g h THR 99 Ca -0.48 -2.29 0.00 0.00 -0.55 0.00 0.00 66.41 63.09 3a3g h THR 99 Cb 1.17 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.81 3a3g h THR 99 CO 0.62 0.39 0.00 0.61 -0.25 0.00 0.00 175.52 176.88 3a3g n GLY 100 N 1.43 0.75 3.44 5.82 0.00 -1.26 -4.79 105.19 110.57 3a3g n GLY 100 Ca -0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.48 3a3g n GLY 100 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3a3g s ASN 101 N -2.67 6.22 0.04 1.61 2.47 -1.26 -1.02 114.94 120.32 3a3g s ASN 101 Ca 0.00 -1.01 -0.30 0.00 0.42 0.00 0.00 52.86 51.97 3a3g s ASN 101 Cb 0.00 -2.34 -0.05 0.00 -1.45 0.00 0.00 41.25 37.41 3a3g s ASN 101 CO 0.00 -1.13 1.14 -0.63 -3.72 0.00 0.00 177.10 172.77 3a3g s ILE 102 N 3.15 4.26 -0.18 -5.21 -1.09 -1.26 -4.76 121.20 116.11 3a3g s ILE 102 Ca 0.18 1.62 0.21 0.00 -2.23 0.00 0.00 60.65 60.43 3a3g s ILE 102 Cb -0.19 -4.04 -0.09 0.00 -1.58 0.00 0.00 42.46 36.56 3a3g s ILE 102 CO 0.11 0.12 0.88 0.29 -1.23 0.00 0.00 174.94 175.10 3a3g n LYS 103 N 4.02 0.62 -3.87 2.79 4.76 0.45 -4.97 118.16 121.96 3a3g n LYS 103 Ca 0.08 0.10 0.04 0.00 -2.87 0.00 0.00 58.31 55.67 3a3g n LYS 103 Cb 0.48 -1.77 0.01 0.00 -1.84 0.00 0.00 35.03 31.90 3a3g n LYS 103 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3a3g s GLY 104 N -4.52 -0.32 -0.20 0.72 0.00 -1.07 -5.03 107.32 96.90 3a3g s GLY 104 Ca -0.02 0.44 -0.06 0.00 0.00 0.00 0.00 44.72 45.08 3a3g s GLY 104 CO 0.81 4.59 0.03 0.14 0.00 0.00 0.00 173.10 178.67 3a3g s VAL 105 N -2.01 4.34 0.43 1.40 1.01 -1.26 -0.71 120.40 123.60 3a3g s VAL 105 Ca 0.26 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.13 3a3g s VAL 105 Cb 0.03 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 3a3g s VAL 105 CO -0.04 0.43 0.12 0.00 0.00 0.00 0.00 175.10 175.61 3a3g s ALA 106 N 0.81 3.55 -0.06 5.51 0.00 -0.06 -4.60 121.76 126.91 3a3g s ALA 106 Ca 0.02 -1.96 0.02 0.00 0.00 0.00 0.00 51.96 50.04 3a3g s ALA 106 Cb -0.14 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.81 3a3g s ALA 106 CO 0.02 -0.15 -0.11 0.99 0.00 0.00 0.00 175.76 176.51 3a3g s THR 107 N -2.67 1.04 0.11 0.00 2.01 -1.07 -0.41 115.64 114.65 3a3g s THR 107 Ca 0.35 -0.42 -0.31 0.00 0.31 0.00 0.00 61.69 61.62 3a3g s THR 107 Cb 0.05 -0.97 -0.10 0.00 0.01 0.00 0.00 72.50 71.50 3a3g s THR 107 CO 0.19 0.33 1.82 -0.69 -0.69 0.00 0.00 174.62 175.59 3a3g s VAL 108 N 0.71 2.59 -0.10 3.82 1.01 0.35 -0.42 120.40 128.35 3a3g s VAL 108 Ca -0.14 0.08 -0.02 0.00 0.00 0.00 0.00 61.98 61.90 3a3g s VAL 108 Cb -0.16 -3.05 -0.25 0.00 0.00 0.00 0.00 36.38 32.92 3a3g s VAL 108 CO 0.03 -0.00 0.43 -0.67 0.00 0.00 0.00 175.10 174.89 3a3g n ASP 109 N 5.76 1.83 -3.62 3.32 2.03 0.13 -1.29 116.55 124.71 3a3g n ASP 109 Ca 0.18 0.25 -0.15 0.00 0.52 0.00 0.00 54.79 55.59 3a3g n ASP 109 Cb 0.38 -0.67 -0.07 0.00 -0.72 0.00 0.00 41.12 40.04 3a3g n ASP 109 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 3a3g s ASN 110 N -6.82 -0.66 -0.08 1.67 2.47 -0.98 -4.81 114.94 105.74 3a3g s ASN 110 Ca -0.18 1.12 -0.00 0.00 0.42 0.00 0.00 52.86 54.22 3a3g s ASN 110 Cb 0.07 1.10 0.02 0.00 -1.45 0.00 0.00 41.25 40.99 3a3g s ASN 110 CO 0.78 -0.34 -0.05 -0.51 -3.72 0.00 0.00 177.10 173.27 3a3g s ILE 111 N -0.13 0.69 -0.16 -5.21 2.07 -1.26 -0.53 121.20 116.68 3a3g s ILE 111 Ca -0.03 -0.13 0.01 0.00 -1.41 0.00 0.00 60.65 59.09 3a3g s ILE 111 Cb -0.03 -0.75 0.02 0.00 0.13 0.00 0.00 42.46 41.82 3a3g s ILE 111 CO 0.03 0.29 -0.20 0.42 -1.91 0.00 0.00 174.94 173.58 3a3g s THR 112 N 1.49 1.96 -0.10 4.00 -4.23 0.45 -4.94 115.64 114.28 3a3g s THR 112 Ca -0.01 -0.89 -0.15 0.00 -1.18 0.00 0.00 61.69 59.46 3a3g s THR 112 Cb -0.13 -1.77 -0.05 0.00 1.34 0.00 0.00 72.50 71.89 3a3g s THR 112 CO -0.04 0.53 0.37 -0.70 -0.54 0.00 0.00 174.62 174.24 3a3g s GLU 113 N 1.16 4.13 0.27 3.99 2.12 -1.26 -0.40 118.70 128.71 3a3g s GLU 113 Ca 0.01 0.28 0.00 0.00 0.36 0.00 0.00 54.97 55.62 3a3g s GLU 113 Cb -0.14 -3.35 -0.00 0.00 0.26 0.00 0.00 34.13 30.90 3a3g s GLU 113 CO -0.09 0.38 0.01 0.39 -0.54 0.00 0.00 175.26 175.42 3a3g n GLU 114 N 2.99 1.22 -0.07 4.30 1.02 -0.11 -5.01 120.64 124.98 3a3g n GLU 114 Ca -0.12 -2.01 -0.10 0.00 -0.02 0.00 0.00 57.16 54.92 3a3g n GLU 114 Cb 0.52 0.63 -0.03 0.00 -0.02 0.00 0.00 31.44 32.55 3a3g n GLU 114 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3a3g h GLU 115 N 0.00 0.36 -0.06 3.49 4.81 -2.03 -3.33 114.58 117.81 3a3g h GLU 115 Ca -0.22 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 3a3g h GLU 115 Cb 0.70 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.00 3a3g h GLU 115 CO 0.37 0.30 0.00 -0.25 -0.73 0.00 0.00 179.01 178.70 3a3g n ASP 116 N -4.86 1.85 -3.98 1.04 8.00 -1.26 -4.91 116.55 112.44 3a3g n ASP 116 Ca -0.02 -1.47 -0.10 0.00 0.71 0.00 0.00 54.79 53.91 3a3g n ASP 116 Cb 0.07 -0.03 -0.12 0.00 -0.02 0.00 0.00 41.12 41.02 3a3g n ASP 116 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3a3g s ARG 117 N -0.71 0.31 -0.24 -1.24 1.81 -1.25 -0.56 118.95 117.05 3a3g s ARG 117 Ca 0.10 -0.53 -0.00 0.00 -1.72 0.00 0.00 55.73 53.58 3a3g s ARG 117 Cb 0.07 0.01 0.03 0.00 -0.45 0.00 0.00 34.95 34.61 3a3g s ARG 117 CO 0.10 -0.02 -0.09 -1.17 -0.68 0.00 0.00 175.30 173.44 3a3g s LEU 118 N -1.23 3.11 -0.35 2.53 2.96 0.77 -0.93 118.68 125.54 3a3g s LEU 118 Ca -0.12 -0.95 -0.13 0.00 -0.22 0.00 0.00 54.13 52.71 3a3g s LEU 118 Cb -0.08 -1.62 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 3a3g s LEU 118 CO -0.01 -0.13 0.23 -0.54 -1.32 0.00 0.00 176.35 174.59 3a3g s LYS 119 N 1.28 3.37 -0.12 1.98 1.02 0.46 -1.11 119.74 126.63 3a3g s LYS 119 Ca -0.01 -0.72 0.03 0.00 0.02 0.00 0.00 55.97 55.28 3a3g s LYS 119 Cb -0.17 -3.79 0.01 0.00 -0.52 0.00 0.00 37.83 33.36 3a3g s LYS 119 CO -0.06 -0.49 -0.20 0.08 -0.92 0.00 0.00 175.35 173.76 3a3g s VAL 120 N 1.69 1.84 -0.17 3.17 1.01 0.07 -0.41 120.40 127.60 3a3g s VAL 120 Ca 0.06 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 61.17 3a3g s VAL 120 Cb -0.18 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.57 3a3g s VAL 120 CO 0.10 0.51 -0.14 -0.31 0.00 0.00 0.00 175.10 175.25 3a3g s TYR 121 N 0.77 2.81 -0.08 5.22 2.02 0.31 -0.57 117.35 127.84 3a3g s TYR 121 Ca -0.09 -1.11 0.02 0.00 -0.37 0.00 0.00 57.07 55.51 3a3g s TYR 121 Cb -0.16 -1.92 0.01 0.00 -0.40 0.00 0.00 41.96 39.49 3a3g s TYR 121 CO 0.00 -0.53 -0.14 0.42 -1.57 0.00 0.00 175.55 173.73 3a3g s ILE 122 N 0.97 1.30 -0.36 2.71 1.01 0.09 0.18 121.20 127.11 3a3g s ILE 122 Ca -0.02 -0.56 -0.24 0.00 0.00 0.00 0.00 60.65 59.83 3a3g s ILE 122 Cb -0.15 -1.18 0.01 0.00 0.01 0.00 0.00 42.46 41.15 3a3g s ILE 122 CO -0.02 0.39 0.82 -0.75 0.00 0.00 0.00 174.94 175.38 3a3g s LYS 123 N 0.71 3.80 -0.03 2.79 2.20 0.43 -0.96 119.74 128.69 3a3g s LYS 123 Ca -0.13 0.41 -0.20 0.00 -0.36 0.00 0.00 55.97 55.69 3a3g s LYS 123 Cb -0.16 -3.80 -0.05 0.00 -1.51 0.00 0.00 37.83 32.31 3a3g s LYS 123 CO 0.03 -0.85 0.56 0.42 -0.36 0.00 0.00 175.35 175.14 3a3g s ILE 124 N 3.17 4.99 0.27 5.43 -1.09 0.80 -2.61 121.20 132.16 3a3g s ILE 124 Ca 0.33 1.15 -0.28 0.00 -2.23 0.00 0.00 60.65 59.62 3a3g s ILE 124 Cb -0.13 -3.89 -0.15 0.00 -1.58 0.00 0.00 42.46 36.71 3a3g s ILE 124 CO 0.17 0.41 0.91 -2.65 -1.23 0.00 0.00 174.94 172.54 3a3g n PRO 125 N 2.88 1.06 -0.23 2.79 -0.02 -1.26 -4.83 135.00 135.38 3a3g n PRO 125 Ca -0.07 0.37 0.01 0.00 -2.02 0.00 0.00 63.50 61.79 3a3g n PRO 125 Cb 0.51 -1.67 0.13 0.00 -0.02 0.00 0.00 33.50 32.46 3a3g n PRO 125 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3a3g h LYS 126 N 1.81 0.52 0.00 -0.52 1.57 -1.96 -1.35 116.57 116.65 3a3g h LYS 126 Ca -0.37 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 3a3g h LYS 126 Cb 1.36 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.55 3a3g h LYS 126 CO 0.60 0.35 0.13 -0.40 -0.57 0.00 0.00 179.45 179.55 3a3g n ASP 127 N -4.91 0.29 -0.00 0.86 5.75 -1.26 -2.82 116.55 114.46 3a3g n ASP 127 Ca 0.11 0.57 0.06 0.00 -0.01 0.00 0.00 54.79 55.51 3a3g n ASP 127 Cb 0.29 -0.58 -0.08 0.00 -1.03 0.00 0.00 41.12 39.72 3a3g n ASP 127 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3a3g n LEU 128 N -1.88 0.20 0.19 -2.12 4.77 -0.51 -4.79 117.00 112.84 3a3g n LEU 128 Ca -0.01 -0.19 0.08 0.00 -0.03 0.00 0.00 56.01 55.86 3a3g n LEU 128 Cb 0.14 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.43 3a3g n LEU 128 CO 0.05 0.05 0.67 -0.29 -1.33 0.00 0.00 177.39 176.54 3a3g h ILE 129 N 0.00 0.50 0.00 -0.08 6.09 -1.49 -3.23 117.51 119.31 3a3g h ILE 129 Ca 0.00 -1.54 -0.04 0.00 -1.37 0.00 0.00 64.86 61.91 3a3g h ILE 129 Cb 0.43 2.11 -0.01 0.00 0.47 0.00 0.00 36.82 39.82 3a3g h ILE 129 CO 0.00 0.27 -0.17 -0.33 -3.07 0.00 0.00 178.15 174.84 3a3g h GLU 130 N 0.00 0.00 -0.01 2.19 5.08 -1.87 -2.91 114.58 117.06 3a3g h GLU 130 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3a3g h GLU 130 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3a3g h GLU 130 CO 0.04 0.17 -0.24 -1.71 -1.00 0.00 0.00 179.01 176.26 3a3g n ASN 131 N -3.92 1.21 -4.60 1.42 5.15 -1.22 -4.93 115.26 108.37 3a3g n ASN 131 Ca -0.02 -1.04 -0.35 0.00 -0.60 0.00 0.00 54.58 52.57 3a3g n ASN 131 Cb 0.26 0.15 -0.10 0.00 -0.53 0.00 0.00 39.78 39.56 3a3g n ASN 131 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3a3g s ILE 132 N -2.43 4.78 0.17 -1.44 1.01 -1.10 -5.09 121.20 117.09 3a3g s ILE 132 Ca 0.25 -0.03 0.09 0.00 0.00 0.00 0.00 60.65 60.96 3a3g s ILE 132 Cb 0.19 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 3a3g s ILE 132 CO 0.50 0.41 -0.19 -0.76 0.00 0.00 0.00 174.94 174.91 3a3g s LEU 133 N 0.74 2.43 0.36 2.97 1.43 -1.26 -5.04 118.68 120.32 3a3g s LEU 133 Ca 0.04 -0.86 -0.24 0.00 -1.03 0.00 0.00 54.13 52.05 3a3g s LEU 133 Cb -0.13 -0.86 -0.14 0.00 0.03 0.00 0.00 46.19 45.08 3a3g s LEU 133 CO 0.02 -0.02 0.49 -1.20 0.23 0.00 0.00 176.35 175.88 3a3g n SER 134 N 0.32 -1.14 0.00 2.29 7.64 -1.26 -1.69 113.62 119.78 3a3g n SER 134 Ca -0.13 0.96 0.00 0.00 1.01 0.00 0.00 58.87 60.71 3a3g n SER 134 Cb 0.57 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 3a3g n SER 134 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3a3g n GLU 135 N 0.84 0.00 -1.73 1.43 1.02 0.22 -4.96 120.64 117.46 3a3g n GLU 135 Ca 0.12 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.87 3a3g n GLU 135 Cb 0.36 -1.81 0.03 0.00 -0.02 0.00 0.00 31.44 30.00 3a3g n GLU 135 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3a3g n ASP 136 N 0.00 2.68 -4.83 1.62 9.92 -0.68 -4.58 116.55 120.68 3a3g n ASP 136 Ca 0.00 1.03 -0.32 0.00 -0.53 0.00 0.00 54.79 54.97 3a3g n ASP 136 Cb 0.00 -1.55 -0.05 0.00 -0.64 0.00 0.00 41.12 38.88 3a3g n ASP 136 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 3a3g s HIS 137 N -1.26 3.39 -0.11 1.24 3.76 -1.26 -0.48 115.29 120.56 3a3g s HIS 137 Ca 0.67 1.52 -0.17 0.00 -0.15 0.00 0.00 55.06 56.93 3a3g s HIS 137 Cb -0.45 -2.81 0.04 0.00 1.11 0.00 0.00 32.58 30.47 3a3g s HIS 137 CO 0.53 -0.24 0.44 -1.50 -0.85 0.00 0.00 174.74 173.12 3a3g s ILE 138 N -2.41 0.02 -0.17 0.60 2.07 -0.57 -4.34 121.20 116.40 3a3g s ILE 138 Ca 0.60 -0.13 -0.14 0.00 -1.41 0.00 0.00 60.65 59.57 3a3g s ILE 138 Cb -0.09 -0.67 -0.04 0.00 0.13 0.00 0.00 42.46 41.78 3a3g s ILE 138 CO 0.23 -0.07 0.31 -0.83 -1.91 0.00 0.00 174.94 172.67 3a3g s GLY 139 N -0.34 2.18 -0.20 1.50 0.00 0.13 -2.16 107.32 108.44 3a3g s GLY 139 Ca -0.05 -0.48 0.01 0.00 0.00 0.00 0.00 44.72 44.20 3a3g s GLY 139 CO 0.03 0.52 -0.11 -0.42 0.00 0.00 0.00 173.10 173.12 3a3g s ILE 140 N 0.67 1.66 -0.98 0.90 -1.09 -0.02 -1.29 121.20 121.06 3a3g s ILE 140 Ca 0.17 -1.02 -0.05 0.00 -2.23 0.00 0.00 60.65 57.52 3a3g s ILE 140 Cb -0.13 -1.73 0.04 0.00 -1.58 0.00 0.00 42.46 39.06 3a3g s ILE 140 CO 0.05 0.18 0.22 0.59 -1.23 0.00 0.00 174.94 174.74 3a3g n ASN 141 N 4.68 -3.18 0.00 3.58 3.02 0.09 -0.69 115.26 122.76 3a3g n ASN 141 Ca -0.15 -0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 3a3g n ASN 141 Cb 0.47 -2.70 0.00 0.00 -0.61 0.00 0.00 39.78 36.93 3a3g n ASN 141 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a3g n GLY 142 N -0.90 0.78 3.59 7.41 0.00 -1.24 -2.99 105.19 111.84 3a3g n GLY 142 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 3a3g n GLY 142 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a3g s VAL 143 N -2.97 4.97 -0.17 1.61 1.01 0.14 -4.21 120.40 120.78 3a3g s VAL 143 Ca 0.00 0.78 -0.15 0.00 0.00 0.00 0.00 61.98 62.61 3a3g s VAL 143 Cb 0.00 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3a3g s VAL 143 CO 0.00 -0.12 0.34 -0.55 0.00 0.00 0.00 175.10 174.77 3a3g s SER 144 N 1.65 6.46 0.08 3.32 0.15 -0.68 -0.84 113.70 123.84 3a3g s SER 144 Ca 0.24 0.54 -0.26 0.00 0.70 0.00 0.00 55.95 57.17 3a3g s SER 144 Cb -0.15 -2.20 0.07 0.00 -1.71 0.00 0.00 66.02 62.02 3a3g s SER 144 CO 0.12 0.05 0.62 -2.28 1.20 0.00 0.00 173.24 172.95 3a3g s HIS 145 N 0.69 -0.57 0.57 3.44 5.04 -0.92 -4.92 115.29 118.61 3a3g s HIS 145 Ca 0.18 0.61 -0.17 0.00 -1.54 0.00 0.00 55.06 54.14 3a3g s HIS 145 Cb -0.14 0.50 -0.05 0.00 0.04 0.00 0.00 32.58 32.93 3a3g s HIS 145 CO 0.06 -0.76 1.05 -1.54 -2.34 0.00 0.00 174.74 171.21 3a3g s SER 146 N -2.18 5.92 -0.10 9.88 1.04 -1.26 -1.51 113.70 125.49 3a3g s SER 146 Ca -0.03 1.84 -0.20 0.00 0.48 0.00 0.00 55.95 58.03 3a3g s SER 146 Cb -0.01 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.54 3a3g s SER 146 CO -0.05 -1.07 0.57 -0.63 0.98 0.00 0.00 173.24 173.05 3a3g s ILE 147 N -2.35 5.13 -0.08 -1.02 1.01 0.37 -4.63 121.20 119.62 3a3g s ILE 147 Ca 0.64 1.16 -0.20 0.00 0.00 0.00 0.00 60.65 62.25 3a3g s ILE 147 Cb -0.16 -3.91 -0.16 0.00 0.01 0.00 0.00 42.46 38.23 3a3g s ILE 147 CO 0.33 0.29 0.75 -0.08 0.00 0.00 0.00 174.94 176.23 3a3g h GLU 148 N 6.77 -0.12 -3.77 2.79 4.57 -0.49 0.63 114.58 124.96 3a3g h GLU 148 Ca -0.41 0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 57.70 3a3g h GLU 148 Cb 1.18 0.03 -0.14 0.00 -0.16 0.00 0.00 28.75 29.66 3a3g h GLU 148 CO 0.76 0.39 -0.33 -1.83 -1.18 0.00 0.00 179.01 176.82 3a3g s GLU 149 N -2.91 0.90 -0.04 1.92 -1.05 -1.12 -4.53 118.70 111.86 3a3g s GLU 149 Ca -0.13 -0.95 -0.00 0.00 -0.15 0.00 0.00 54.97 53.74 3a3g s GLU 149 Cb -0.00 0.36 0.03 0.00 -0.44 0.00 0.00 34.13 34.07 3a3g s GLU 149 CO 0.47 -0.30 0.01 -1.50 0.95 0.00 0.00 175.26 174.89 3a3g s ILE 150 N -3.86 0.21 -0.27 1.83 2.07 -1.26 0.20 121.20 120.12 3a3g s ILE 150 Ca 0.06 0.14 0.02 0.00 -1.41 0.00 0.00 60.65 59.46 3a3g s ILE 150 Cb 0.04 -0.35 0.07 0.00 0.13 0.00 0.00 42.46 42.36 3a3g s ILE 150 CO -0.10 0.19 -0.05 -0.44 -1.91 0.00 0.00 174.94 172.62 3a3g s SER 151 N 1.47 4.31 1.77 4.50 0.01 -0.54 -4.97 113.70 120.25 3a3g s SER 151 Ca -0.03 -1.49 0.00 0.00 1.31 0.00 0.00 55.95 55.74 3a3g s SER 151 Cb -0.13 -1.42 0.00 0.00 0.21 0.00 0.00 66.02 64.68 3a3g s SER 151 CO -0.03 -0.25 0.00 -0.67 0.41 0.00 0.00 173.24 172.70 3a3g n ASP 152 N 4.49 0.00 -0.89 2.44 -0.08 -1.26 -1.98 116.55 119.27 3a3g n ASP 152 Ca -0.09 0.00 0.09 0.00 -1.51 0.00 0.00 54.79 53.28 3a3g n ASP 152 Cb 0.43 0.00 0.26 0.00 2.34 0.00 0.00 41.12 44.14 3a3g n ASP 152 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 3a3g n ASP 153 N 6.94 2.60 -4.45 1.67 5.75 -1.26 -4.86 116.55 122.94 3a3g n ASP 153 Ca 0.00 -1.94 -0.34 0.00 -0.01 0.00 0.00 54.79 52.50 3a3g n ASP 153 Cb 0.00 -0.27 -0.13 0.00 -1.03 0.00 0.00 41.12 39.69 3a3g n ASP 153 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 3a3g s ILE 154 N -1.45 3.81 -0.03 2.12 -4.36 -0.84 -0.14 121.20 120.30 3a3g s ILE 154 Ca 0.34 -0.37 -0.02 0.00 -0.26 0.00 0.00 60.65 60.34 3a3g s ILE 154 Cb 0.18 -2.69 -0.04 0.00 1.25 0.00 0.00 42.46 41.17 3a3g s ILE 154 CO 0.25 0.47 0.08 0.27 0.24 0.00 0.00 174.94 176.24 3a3g s ILE 155 N 0.69 4.76 -0.24 8.37 -4.36 -0.13 -1.46 121.20 128.83 3a3g s ILE 155 Ca -0.02 -0.29 -0.06 0.00 -0.26 0.00 0.00 60.65 60.02 3a3g s ILE 155 Cb -0.14 -3.13 -0.02 0.00 1.25 0.00 0.00 42.46 40.41 3a3g s ILE 155 CO 0.02 0.43 0.04 0.12 0.24 0.00 0.00 174.94 175.79 3a3g s PHE 156 N -1.12 3.05 -0.15 1.37 5.36 0.13 -0.73 117.98 125.90 3a3g s PHE 156 Ca 0.20 -0.60 0.01 0.00 -0.96 0.00 0.00 56.93 55.59 3a3g s PHE 156 Cb -0.12 -2.20 0.00 0.00 -0.34 0.00 0.00 43.02 40.36 3a3g s PHE 156 CO 0.10 -0.42 -0.19 0.42 -1.46 0.00 0.00 175.22 173.67 3a3g s ILE 157 N 1.57 2.35 -0.72 3.12 1.01 0.27 0.31 121.20 129.11 3a3g s ILE 157 Ca 0.06 -0.88 -0.07 0.00 0.00 0.00 0.00 60.65 59.76 3a3g s ILE 157 Cb -0.15 -1.96 0.19 0.00 0.01 0.00 0.00 42.46 40.54 3a3g s ILE 157 CO 0.02 0.53 0.59 0.21 0.00 0.00 0.00 174.94 176.29 3a3g s ASN 158 N 0.80 5.89 -0.07 3.58 3.84 -1.26 -0.75 114.94 126.96 3a3g s ASN 158 Ca -0.07 -2.83 -0.27 0.00 0.21 0.00 0.00 52.86 49.90 3a3g s ASN 158 Cb -0.15 -2.00 -0.03 0.00 -0.55 0.00 0.00 41.25 38.52 3a3g s ASN 158 CO -0.01 -0.44 0.87 -0.31 -2.79 0.00 0.00 177.10 174.42 3a3g s TYR 159 N -0.04 3.57 0.32 0.43 2.02 -0.27 -4.92 117.35 118.47 3a3g s TYR 159 Ca 0.18 1.46 -0.29 0.00 -0.37 0.00 0.00 57.07 58.05 3a3g s TYR 159 Cb -0.16 -3.01 -0.10 0.00 -0.40 0.00 0.00 41.96 38.30 3a3g s TYR 159 CO -0.06 -0.05 1.23 -1.25 -1.57 0.00 0.00 175.55 173.85 3a3g s PRO 160 N 1.29 4.43 0.00 -1.71 0.04 -1.26 -0.16 135.00 137.63 3a3g s PRO 160 Ca 0.44 2.06 0.27 0.00 0.04 0.00 0.00 61.00 63.81 3a3g s PRO 160 Cb -0.19 -3.09 1.27 0.00 0.04 0.00 0.00 34.50 32.54 3a3g s PRO 160 CO 0.21 -0.06 1.90 0.36 0.04 0.00 0.00 177.00 179.44 3a3g n LYS 161 N 0.88 0.21 0.31 4.56 2.85 0.27 -1.67 118.16 125.58 3a3g n LYS 161 Ca -0.00 0.03 0.19 0.00 -1.05 0.00 0.00 58.31 57.48 3a3g n LYS 161 Cb 0.43 -1.50 1.04 0.00 -0.65 0.00 0.00 35.03 34.35 3a3g n LYS 161 CO 0.00 0.00 0.00 -2.95 -0.05 0.00 0.00 177.40 174.40 3a3g h ASN 162 N 0.00 0.00 0.00 -5.58 -1.07 -1.91 -2.03 115.58 104.99 3a3g h ASN 162 Ca 0.00 0.00 -0.25 0.00 0.07 0.00 0.00 56.30 56.12 3a3g h ASN 162 Cb 0.35 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.56 3a3g h ASN 162 CO 0.00 0.01 -1.37 -0.11 0.07 0.00 0.00 177.43 176.04 3a3g n LEU 163 N -3.37 1.87 0.22 6.14 7.94 -0.67 -4.52 117.00 124.62 3a3g n LEU 163 Ca -0.03 0.42 0.06 0.00 -1.11 0.00 0.00 56.01 55.35 3a3g n LEU 163 Cb 0.11 -0.95 0.51 0.00 0.53 0.00 0.00 43.42 43.62 3a3g n LEU 163 CO 0.24 0.29 0.89 0.77 -1.11 0.00 0.00 177.39 178.47 3a3g h SER 164 N -1.00 0.00 0.13 1.96 4.64 -1.24 -2.11 113.55 115.94 3a3g h SER 164 Ca -0.38 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.93 3a3g h SER 164 Cb 1.32 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3a3g h SER 164 CO -0.23 0.19 -0.07 0.16 -0.87 0.00 0.00 176.83 176.01 3a3g h ILE 165 N 0.00 0.76 -0.11 0.95 3.07 -1.60 -1.51 117.51 119.07 3a3g h ILE 165 Ca -0.00 -0.28 0.00 0.00 1.55 0.00 0.00 64.86 66.12 3a3g h ILE 165 Cb 0.35 1.17 0.00 0.00 -0.27 0.00 0.00 36.82 38.07 3a3g h ILE 165 CO 0.03 0.07 0.00 0.35 -1.05 0.00 0.00 178.15 177.55 3a3g n THR 166 N -4.02 0.18 -4.31 0.16 -2.24 -0.79 -4.90 114.28 98.35 3a3g n THR 166 Ca -0.03 -0.16 -0.19 0.00 -2.27 0.00 0.00 64.05 61.40 3a3g n THR 166 Cb 0.16 0.02 -0.09 0.00 -2.10 0.00 0.00 70.33 68.33 3a3g n THR 166 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3a3g s THR 167 N -1.79 0.13 -2.01 4.28 -4.23 -0.57 -4.61 115.64 106.85 3a3g s THR 167 Ca 0.08 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.66 3a3g s THR 167 Cb 0.04 -2.48 0.20 0.00 1.34 0.00 0.00 72.50 71.60 3a3g s THR 167 CO 0.05 0.00 1.18 -0.46 -0.54 0.00 0.00 174.62 174.84 3a3g n ASN 168 N -1.26 1.14 0.26 3.99 6.94 -1.26 -4.38 115.26 120.69 3a3g n ASN 168 Ca 0.04 -1.98 0.08 0.00 -0.02 0.00 0.00 54.58 52.70 3a3g n ASN 168 Cb 0.64 -0.14 0.64 0.00 -2.36 0.00 0.00 39.78 38.55 3a3g n ASN 168 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 3a3g h LEU 169 N 1.25 0.00 -0.99 -4.53 3.38 -1.97 -0.56 115.31 111.89 3a3g h LEU 169 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3a3g h LEU 169 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3a3g h LEU 169 CO 0.00 0.02 0.00 1.23 0.09 0.00 0.00 178.44 179.78 3a3g h GLY 170 N 0.08 0.00 2.00 0.83 0.00 -1.80 -2.65 103.07 101.53 3a3g h GLY 170 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3a3g h GLY 170 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 3a3g n THR 171 N -2.55 0.37 -2.64 4.70 -2.24 -0.22 -4.92 114.28 106.78 3a3g n THR 171 Ca 0.02 -0.14 -0.33 0.00 -2.27 0.00 0.00 64.05 61.32 3a3g n THR 171 Cb 0.26 -0.58 -0.05 0.00 -2.10 0.00 0.00 70.33 67.86 3a3g n THR 171 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3a3g s LEU 172 N -3.87 3.87 0.24 3.22 1.43 -1.00 -5.08 118.68 117.49 3a3g s LEU 172 Ca 0.12 1.81 0.01 0.00 -1.03 0.00 0.00 54.13 55.03 3a3g s LEU 172 Cb 0.15 -4.55 -0.05 0.00 0.03 0.00 0.00 46.19 41.77 3a3g s LEU 172 CO 0.55 -0.61 0.12 -1.61 0.23 0.00 0.00 176.35 175.04 3a3g s GLU 173 N -3.27 1.36 0.21 1.70 2.02 -1.26 -4.97 118.70 114.49 3a3g s GLU 173 Ca 0.65 -1.74 -0.31 0.00 0.02 0.00 0.00 54.97 53.59 3a3g s GLU 173 Cb -0.13 -0.04 -0.15 0.00 0.10 0.00 0.00 34.13 33.91 3a3g s GLU 173 CO 0.18 -0.35 1.16 1.17 0.02 0.00 0.00 175.26 177.44 3a3g n LYS 174 N -0.41 1.33 -0.10 1.61 4.81 -1.26 -1.05 118.16 123.09 3a3g n LYS 174 Ca 0.01 0.47 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 3a3g n LYS 174 Cb 0.66 -1.96 0.00 0.00 0.02 0.00 0.00 35.03 33.75 3a3g n LYS 174 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3a3g n GLY 175 N 1.85 1.50 3.72 3.14 0.00 -0.41 -4.98 105.19 110.01 3a3g n GLY 175 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3a3g n GLY 175 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3a3g s SER 176 N -3.09 6.90 0.32 1.61 0.01 -0.21 -4.75 113.70 114.48 3a3g s SER 176 Ca 0.00 2.30 -0.17 0.00 1.31 0.00 0.00 55.95 59.39 3a3g s SER 176 Cb 0.00 -2.59 -0.09 0.00 0.21 0.00 0.00 66.02 63.54 3a3g s SER 176 CO 0.00 -0.57 0.78 -1.81 0.41 0.00 0.00 173.24 172.04 3a3g s ASP 177 N 0.79 6.89 0.06 2.44 1.01 -1.26 -0.50 116.67 126.10 3a3g s ASP 177 Ca 0.61 1.40 0.01 0.00 0.71 0.00 0.00 52.55 55.27 3a3g s ASP 177 Cb -0.35 -2.42 -0.03 0.00 1.01 0.00 0.00 42.92 41.12 3a3g s ASP 177 CO 0.33 -0.17 -0.05 0.68 0.21 0.00 0.00 175.17 176.17 3a3g s VAL 178 N -1.89 0.39 -0.13 -1.27 -7.23 0.45 -4.95 120.40 105.77 3a3g s VAL 178 Ca 0.53 -1.51 -0.28 0.00 -1.81 0.00 0.00 61.98 58.91 3a3g s VAL 178 Cb -0.12 -1.12 -0.01 0.00 0.56 0.00 0.00 36.38 35.69 3a3g s VAL 178 CO 0.18 -0.74 0.92 0.20 -0.31 0.00 0.00 175.10 175.36 3a3g s ASN 179 N -2.38 7.12 -0.13 4.85 0.01 -1.26 -0.88 114.94 122.26 3a3g s ASN 179 Ca 0.00 1.37 -0.02 0.00 -0.71 0.00 0.00 52.86 53.51 3a3g s ASN 179 Cb -0.00 -2.51 -0.02 0.00 0.41 0.00 0.00 41.25 39.13 3a3g s ASN 179 CO -0.05 -0.42 -0.08 -0.69 -1.51 0.00 0.00 177.10 174.36 3a3g s VAL 180 N 2.03 3.50 -0.27 1.60 1.01 0.11 -0.73 120.40 127.66 3a3g s VAL 180 Ca 0.44 -0.51 -0.00 0.00 0.00 0.00 0.00 61.98 61.91 3a3g s VAL 180 Cb -0.17 -2.50 0.04 0.00 0.00 0.00 0.00 36.38 33.75 3a3g s VAL 180 CO 0.15 0.52 -0.05 -0.70 0.00 0.00 0.00 175.10 175.02 3a3g s GLU 181 N 0.23 2.53 0.32 2.72 2.12 -0.41 -0.41 118.70 125.80 3a3g s GLU 181 Ca -0.05 -1.18 -0.19 0.00 0.36 0.00 0.00 54.97 53.91 3a3g s GLU 181 Cb -0.15 -3.02 -0.09 0.00 0.26 0.00 0.00 34.13 31.13 3a3g s GLU 181 CO 0.04 -0.52 0.81 0.95 -0.54 0.00 0.00 175.26 175.99 3a3g s THR 182 N 1.24 4.53 0.14 -1.70 -4.23 -1.26 -0.69 115.64 113.67 3a3g s THR 182 Ca -0.04 1.26 0.04 0.00 -1.18 0.00 0.00 61.69 61.77 3a3g s THR 182 Cb -0.19 -3.72 -0.04 0.00 1.34 0.00 0.00 72.50 69.89 3a3g s THR 182 CO -0.04 -0.07 0.19 -0.76 -0.54 0.00 0.00 174.62 173.41 3a3g s LEU 183 N -2.64 4.05 0.00 4.79 1.02 -1.26 -4.96 118.68 119.67 3a3g s LEU 183 Ca 0.52 0.02 0.00 0.00 0.02 0.00 0.00 54.13 54.70 3a3g s LEU 183 Cb -0.13 -2.65 0.00 0.00 0.02 0.00 0.00 46.19 43.44 3a3g s LEU 183 CO 0.18 0.08 0.00 0.59 0.02 0.00 0.00 176.35 177.22