#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bg1 s MET 15 N 0.00 3.08 0.75 0.11 -2.45 -1.26 -5.11 119.30 114.42 3bg1 s MET 15 Ca 0.00 -0.83 -0.11 0.00 -1.25 0.00 0.00 55.69 53.50 3bg1 s MET 15 Cb 0.00 -2.48 0.04 0.00 1.25 0.00 0.00 34.83 33.64 3bg1 s MET 15 CO 0.00 0.01 1.12 0.42 1.05 0.00 0.00 175.02 177.62 3bg1 s ILE 16 N 0.78 2.85 0.00 10.11 -1.09 -1.26 -2.89 121.20 129.70 3bg1 s ILE 16 Ca -0.07 0.25 0.00 0.00 -2.23 0.00 0.00 60.65 58.60 3bg1 s ILE 16 Cb -0.16 -3.27 0.00 0.00 -1.58 0.00 0.00 42.46 37.45 3bg1 s ILE 16 CO -0.01 -0.35 0.00 1.57 -1.23 0.00 0.00 174.94 174.92 3bg1 n HIS 17 N -3.12 0.00 -4.34 3.97 -0.00 -0.58 -4.85 115.22 106.29 3bg1 n HIS 17 Ca 0.07 0.00 -0.26 0.00 0.46 0.00 0.00 57.72 57.99 3bg1 n HIS 17 Cb 0.59 0.00 -0.13 0.00 -0.12 0.00 0.00 29.99 30.33 3bg1 n HIS 17 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 3bg1 s ASP 18 N -2.09 2.95 -0.19 0.26 -1.08 -1.21 -5.05 116.67 110.25 3bg1 s ASP 18 Ca 0.00 -0.73 -0.08 0.00 -0.52 0.00 0.00 52.55 51.22 3bg1 s ASP 18 Cb 0.00 -0.18 0.08 0.00 -1.46 0.00 0.00 42.92 41.36 3bg1 s ASP 18 CO 0.00 0.12 0.42 0.00 0.52 0.00 0.00 175.17 176.23 3bg1 s ALA 19 N -1.16 -1.14 -0.05 3.66 0.00 -1.26 -3.03 121.76 118.77 3bg1 s ALA 19 Ca 0.11 1.53 0.04 0.00 0.00 0.00 0.00 51.96 53.65 3bg1 s ALA 19 Cb -0.10 -1.21 -0.00 0.00 0.00 0.00 0.00 23.12 21.81 3bg1 s ALA 19 CO 0.05 -0.60 -0.19 -1.14 0.00 0.00 0.00 175.76 173.88 3bg1 s GLN 20 N 2.23 2.08 0.60 0.00 0.74 -0.94 -4.98 119.66 119.39 3bg1 s GLN 20 Ca -0.04 -0.68 -0.18 0.00 0.05 0.00 0.00 55.36 54.50 3bg1 s GLN 20 Cb -0.11 -1.75 -0.03 0.00 1.10 0.00 0.00 33.01 32.22 3bg1 s GLN 20 CO -0.13 0.24 1.18 1.41 -0.55 0.00 0.00 175.29 177.44 3bg1 s MET 21 N 0.09 2.98 0.76 1.67 -2.45 -1.26 -2.66 119.30 118.43 3bg1 s MET 21 Ca -0.07 1.73 -0.11 0.00 -1.25 0.00 0.00 55.69 55.99 3bg1 s MET 21 Cb -0.13 -1.94 0.04 0.00 1.25 0.00 0.00 34.83 34.05 3bg1 s MET 21 CO 0.03 -1.17 1.08 0.34 1.05 0.00 0.00 175.02 176.36 3bg1 s ASP 22 N -1.77 4.87 1.06 1.11 -1.08 -0.95 -4.87 116.67 115.03 3bg1 s ASP 22 Ca 0.75 1.40 -0.12 0.00 -0.52 0.00 0.00 52.55 54.06 3bg1 s ASP 22 Cb -0.28 -2.19 0.23 0.00 -1.46 0.00 0.00 42.92 39.22 3bg1 s ASP 22 CO 0.33 -1.74 1.06 -0.47 0.52 0.00 0.00 175.17 174.87 3bg1 s TYR 23 N -3.13 1.75 -1.27 -5.34 5.04 -1.26 -2.14 117.35 111.00 3bg1 s TYR 23 Ca 0.60 1.15 0.00 0.00 -2.44 0.00 0.00 57.07 56.38 3bg1 s TYR 23 Cb -0.14 -3.18 0.00 0.00 0.35 0.00 0.00 41.96 38.99 3bg1 s TYR 23 CO 0.54 -3.30 0.00 0.66 -1.34 0.00 0.00 175.55 172.11 3bg1 n TYR 24 N -4.50 -0.26 -3.78 4.97 4.02 -1.26 -3.57 117.16 112.78 3bg1 n TYR 24 Ca 0.05 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.70 3bg1 n TYR 24 Cb 0.55 -2.51 -0.02 0.00 -0.02 0.00 0.00 39.34 37.34 3bg1 n TYR 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3bg1 n GLY 25 N -0.10 -0.31 0.41 2.72 0.00 -0.91 -4.85 105.19 102.15 3bg1 n GLY 25 Ca -0.12 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 3bg1 n GLY 25 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3bg1 n THR 26 N -3.22 0.59 -3.33 2.61 -1.04 -1.23 -4.92 114.28 103.73 3bg1 n THR 26 Ca -0.11 -0.18 -0.11 0.00 -2.04 0.00 0.00 64.05 61.60 3bg1 n THR 26 Cb 0.35 -1.32 0.02 0.00 -1.82 0.00 0.00 70.33 67.56 3bg1 n THR 26 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3bg1 n ARG 27 N -3.20 0.93 -3.08 -2.82 3.00 -1.26 -2.04 116.66 108.19 3bg1 n ARG 27 Ca -0.20 -1.67 -0.01 0.00 -0.01 0.00 0.00 57.85 55.96 3bg1 n ARG 27 Cb 0.67 0.02 -0.01 0.00 0.00 0.00 0.00 32.46 33.15 3bg1 n ARG 27 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 3bg1 s LEU 28 N 0.00 -1.48 0.56 0.55 2.96 0.26 -2.25 118.68 119.28 3bg1 s LEU 28 Ca 0.24 -1.09 -0.19 0.00 -0.22 0.00 0.00 54.13 52.87 3bg1 s LEU 28 Cb -0.02 1.92 -0.05 0.00 0.50 0.00 0.00 46.19 48.54 3bg1 s LEU 28 CO 0.15 -0.14 1.12 0.00 -1.32 0.00 0.00 176.35 176.17 3bg1 s ALA 29 N 1.54 2.67 0.10 5.97 0.00 -1.09 -2.31 121.76 128.64 3bg1 s ALA 29 Ca 0.20 0.76 -0.08 0.00 0.00 0.00 0.00 51.96 52.84 3bg1 s ALA 29 Cb -0.03 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 3bg1 s ALA 29 CO -0.06 -0.83 0.19 0.99 0.00 0.00 0.00 175.76 176.05 3bg1 s THR 30 N -1.89 0.13 -0.20 0.00 2.01 0.22 -2.21 115.64 113.70 3bg1 s THR 30 Ca 0.71 -1.29 -0.21 0.00 0.31 0.00 0.00 61.69 61.21 3bg1 s THR 30 Cb -0.23 -1.48 0.06 0.00 0.01 0.00 0.00 72.50 70.86 3bg1 s THR 30 CO 0.29 -0.60 0.59 0.00 -0.69 0.00 0.00 174.62 174.22 3bg1 s SER 32 N 0.11 1.92 0.00 0.00 1.04 -1.20 -1.52 113.70 114.04 3bg1 s SER 32 Ca -0.02 -1.51 0.03 0.00 0.48 0.00 0.00 55.95 54.93 3bg1 s SER 32 Cb -0.04 0.27 0.18 0.00 0.10 0.00 0.00 66.02 66.53 3bg1 s SER 32 CO 0.02 -0.81 0.59 -1.54 0.98 0.00 0.00 173.24 172.48 3bg1 n SER 33 N -0.87 0.00 -1.11 7.02 3.41 -1.14 -2.27 113.62 118.66 3bg1 n SER 33 Ca -0.01 -0.14 0.06 0.00 -0.26 0.00 0.00 58.87 58.52 3bg1 n SER 33 Cb 0.66 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.84 3bg1 n SER 33 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3bg1 n ASP 34 N -0.91 3.20 -1.69 4.04 5.75 -1.26 -4.25 116.55 121.43 3bg1 n ASP 34 Ca 0.02 -2.27 -0.17 0.00 -0.01 0.00 0.00 54.79 52.36 3bg1 n ASP 34 Cb 0.01 -0.46 -0.03 0.00 -1.03 0.00 0.00 41.12 39.62 3bg1 n ASP 34 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3bg1 n ARG 35 N 0.65 -1.27 -4.16 0.11 1.74 -0.96 -4.99 116.66 107.78 3bg1 n ARG 35 Ca 0.17 0.90 -0.34 0.00 -0.77 0.00 0.00 57.85 57.81 3bg1 n ARG 35 Cb 0.61 -5.26 -0.15 0.00 -1.02 0.00 0.00 32.46 26.64 3bg1 n ARG 35 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3bg1 s SER 36 N -2.44 3.63 -0.86 0.55 0.01 -1.25 -3.99 113.70 109.35 3bg1 s SER 36 Ca 0.00 -0.52 -0.15 0.00 1.31 0.00 0.00 55.95 56.58 3bg1 s SER 36 Cb 0.00 -1.58 0.19 0.00 0.21 0.00 0.00 66.02 64.84 3bg1 s SER 36 CO 0.00 0.01 0.87 -0.69 0.41 0.00 0.00 173.24 173.84 3bg1 s VAL 37 N 1.23 5.37 -0.10 3.43 1.01 -0.43 -3.28 120.40 127.64 3bg1 s VAL 37 Ca 0.03 -2.22 -0.21 0.00 0.00 0.00 0.00 61.98 59.57 3bg1 s VAL 37 Cb -0.14 -4.56 -0.04 0.00 0.00 0.00 0.00 36.38 31.65 3bg1 s VAL 37 CO -0.07 -1.16 0.59 -0.54 0.00 0.00 0.00 175.10 173.92 3bg1 s LYS 38 N 0.86 4.37 -0.40 2.72 1.02 0.52 -1.46 119.74 127.37 3bg1 s LYS 38 Ca 0.22 0.66 -0.07 0.00 0.02 0.00 0.00 55.97 56.80 3bg1 s LYS 38 Cb -0.09 -3.45 0.08 0.00 -0.52 0.00 0.00 37.83 33.85 3bg1 s LYS 38 CO -0.09 0.08 0.21 0.42 -0.92 0.00 0.00 175.35 175.05 3bg1 s ILE 39 N 0.81 3.85 -0.15 2.17 -1.09 -0.81 0.70 121.20 126.69 3bg1 s ILE 39 Ca 0.31 -1.54 -0.08 0.00 -2.23 0.00 0.00 60.65 57.11 3bg1 s ILE 39 Cb -0.16 -3.40 -0.04 0.00 -1.58 0.00 0.00 42.46 37.28 3bg1 s ILE 39 CO 0.14 -0.49 0.13 -0.36 -1.23 0.00 0.00 174.94 173.12 3bg1 s PHE 40 N 1.34 3.51 0.12 3.97 0.40 -0.98 -1.19 117.98 125.15 3bg1 s PHE 40 Ca 0.03 0.44 -0.12 0.00 -0.60 0.00 0.00 56.93 56.68 3bg1 s PHE 40 Cb -0.22 -2.01 -0.06 0.00 0.51 0.00 0.00 43.02 41.23 3bg1 s PHE 40 CO 0.00 0.56 0.48 0.34 0.70 0.00 0.00 175.22 177.31 3bg1 s ASP 41 N -0.51 6.74 -0.59 1.36 -1.08 -0.54 0.88 116.67 122.94 3bg1 s ASP 41 Ca 0.12 0.95 0.05 0.00 -0.52 0.00 0.00 52.55 53.15 3bg1 s ASP 41 Cb -0.12 -2.24 0.19 0.00 -1.46 0.00 0.00 42.92 39.29 3bg1 s ASP 41 CO 0.02 0.12 0.48 0.52 0.52 0.00 0.00 175.17 176.84 3bg1 n VAL 42 N 0.80 0.68 -3.54 1.11 0.31 -0.86 -1.22 118.33 115.61 3bg1 n VAL 42 Ca -0.06 -4.41 -0.41 0.00 -0.01 0.00 0.00 64.34 59.45 3bg1 n VAL 42 Cb 0.52 -2.00 -0.11 0.00 -0.91 0.00 0.00 33.84 31.35 3bg1 n VAL 42 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3bg1 s ARG 43 N -1.11 2.94 0.00 5.55 0.52 -1.23 -4.21 118.95 121.41 3bg1 s ARG 43 Ca 0.30 -1.02 0.00 0.00 -0.52 0.00 0.00 55.73 54.49 3bg1 s ARG 43 Cb 0.02 -3.83 0.00 0.00 0.52 0.00 0.00 34.95 31.67 3bg1 s ARG 43 CO -0.16 -0.69 0.00 0.09 0.02 0.00 0.00 175.30 174.56 3bg1 n ASN 44 N 5.07 -0.95 0.00 0.23 3.02 -1.26 -3.82 115.26 117.55 3bg1 n ASN 44 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 3bg1 n ASN 44 Cb 0.47 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 3bg1 n ASN 44 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bg1 n GLY 45 N -2.32 0.34 3.68 7.41 0.00 -1.26 -5.07 105.19 107.98 3bg1 n GLY 45 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3bg1 n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bg1 s GLY 46 N -1.71 2.11 0.21 -0.02 0.00 -1.25 -5.05 107.32 101.61 3bg1 s GLY 46 Ca 0.00 -0.55 -0.30 0.00 0.00 0.00 0.00 44.72 43.87 3bg1 s GLY 46 CO 0.00 0.67 1.01 1.20 0.00 0.00 0.00 173.10 175.97 3bg1 s GLN 47 N 1.06 4.73 -0.27 2.90 -0.21 -1.26 -3.51 119.66 123.11 3bg1 s GLN 47 Ca 0.17 1.59 -0.00 0.00 0.02 0.00 0.00 55.36 57.14 3bg1 s GLN 47 Cb -0.14 -3.28 0.15 0.00 1.00 0.00 0.00 33.01 30.74 3bg1 s GLN 47 CO 0.07 0.31 0.37 0.42 -2.12 0.00 0.00 175.29 174.34 3bg1 s ILE 48 N -0.79 -0.58 0.93 1.08 1.01 -0.35 -4.97 121.20 117.54 3bg1 s ILE 48 Ca 0.44 -0.25 -0.14 0.00 0.00 0.00 0.00 60.65 60.70 3bg1 s ILE 48 Cb -0.27 -0.93 -0.02 0.00 0.01 0.00 0.00 42.46 41.25 3bg1 s ILE 48 CO 0.34 -0.26 0.11 -0.11 0.00 0.00 0.00 174.94 175.02 3bg1 n LEU 49 N 5.35 -1.61 0.00 2.97 7.94 -1.26 -1.47 117.00 128.92 3bg1 n LEU 49 Ca -0.01 0.33 0.00 0.00 -1.11 0.00 0.00 56.01 55.21 3bg1 n LEU 49 Cb 0.49 -1.09 0.00 0.00 0.53 0.00 0.00 43.42 43.35 3bg1 n LEU 49 CO 0.01 -4.20 0.00 -0.38 -1.11 0.00 0.00 177.39 171.71 3bg1 n ILE 50 N -3.17 0.00 -3.65 1.96 5.41 -0.33 -4.72 119.36 114.86 3bg1 n ILE 50 Ca 0.05 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.78 3bg1 n ILE 50 Cb 0.54 0.27 -0.05 0.00 -0.71 0.00 0.00 39.64 39.69 3bg1 n ILE 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3bg1 s ALA 51 N 0.00 -2.15 -0.62 -1.39 0.00 -1.24 -4.99 121.76 111.38 3bg1 s ALA 51 Ca 0.00 1.87 0.04 0.00 0.00 0.00 0.00 51.96 53.87 3bg1 s ALA 51 Cb 0.00 -1.61 0.15 0.00 0.00 0.00 0.00 23.12 21.67 3bg1 s ALA 51 CO 0.00 -0.21 0.39 0.34 0.00 0.00 0.00 175.76 176.28 3bg1 s ASP 52 N -0.83 4.50 -0.49 0.00 -1.08 -1.26 -1.93 116.67 115.58 3bg1 s ASP 52 Ca 0.09 -3.47 -0.27 0.00 -0.52 0.00 0.00 52.55 48.38 3bg1 s ASP 52 Cb -0.02 -1.58 -0.02 0.00 -1.46 0.00 0.00 42.92 39.85 3bg1 s ASP 52 CO -0.10 -0.15 1.78 -0.76 0.52 0.00 0.00 175.17 176.46 3bg1 s LEU 53 N -0.90 3.40 -0.03 -1.34 1.43 -0.54 -4.82 118.68 115.88 3bg1 s LEU 53 Ca 0.22 0.73 -0.03 0.00 -1.03 0.00 0.00 54.13 54.02 3bg1 s LEU 53 Cb -0.13 -3.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.05 3bg1 s LEU 53 CO -0.10 -2.02 0.13 -0.13 0.23 0.00 0.00 176.35 174.46 3bg1 s ARG 54 N 6.29 3.29 0.00 1.70 0.52 -1.26 -1.31 118.95 128.18 3bg1 s ARG 54 Ca 0.71 -0.35 0.00 0.00 -0.52 0.00 0.00 55.73 55.57 3bg1 s ARG 54 Cb -0.16 -3.02 0.00 0.00 0.52 0.00 0.00 34.95 32.29 3bg1 s ARG 54 CO 0.27 0.69 0.00 0.41 0.02 0.00 0.00 175.30 176.68 3bg1 n GLY 55 N 1.27 0.00 3.57 -3.53 0.00 -1.26 -5.03 105.19 100.21 3bg1 n GLY 55 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 3bg1 n GLY 55 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bg1 s HIS 56 N 0.00 3.04 -0.64 1.61 3.76 -1.26 -4.98 115.29 116.83 3bg1 s HIS 56 Ca 0.00 -0.08 0.23 0.00 -0.15 0.00 0.00 55.06 55.05 3bg1 s HIS 56 Cb 0.00 -1.85 0.90 0.00 1.11 0.00 0.00 32.58 32.74 3bg1 s HIS 56 CO 0.00 0.19 1.69 0.39 -0.85 0.00 0.00 174.74 176.16 3bg1 n GLU 57 N 2.83 0.16 -4.20 1.40 1.02 -1.26 -4.80 120.64 115.79 3bg1 n GLU 57 Ca -0.18 0.34 -0.12 0.00 -0.02 0.00 0.00 57.16 57.18 3bg1 n GLU 57 Cb 0.53 -1.78 -0.10 0.00 -0.02 0.00 0.00 31.44 30.07 3bg1 n GLU 57 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3bg1 s GLY 58 N -3.43 1.26 0.44 0.62 0.00 -1.26 -4.89 107.32 100.05 3bg1 s GLY 58 Ca 0.06 -1.61 -0.23 0.00 0.00 0.00 0.00 44.72 42.95 3bg1 s GLY 58 CO 0.41 -1.43 0.80 -1.55 0.00 0.00 0.00 173.10 171.33 3bg1 n PRO 59 N -0.22 0.96 -3.12 2.90 -0.04 -1.26 -4.39 135.00 129.83 3bg1 n PRO 59 Ca -0.03 0.35 -0.38 0.00 -0.04 0.00 0.00 63.50 63.40 3bg1 n PRO 59 Cb 0.65 -1.83 -0.06 0.00 -0.04 0.00 0.00 33.50 32.22 3bg1 n PRO 59 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3bg1 s VAL 60 N -1.39 4.55 0.00 0.52 1.01 -1.23 -1.67 120.40 122.19 3bg1 s VAL 60 Ca 0.65 1.43 0.00 0.00 0.00 0.00 0.00 61.98 64.06 3bg1 s VAL 60 Cb -0.56 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 31.83 3bg1 s VAL 60 CO 0.56 0.48 0.00 0.79 0.00 0.00 0.00 175.10 176.93 3bg1 n TRP 61 N 1.47 0.00 -3.81 5.22 5.03 -1.13 -4.58 117.44 119.64 3bg1 n TRP 61 Ca -0.07 0.00 -0.23 0.00 3.03 0.00 0.00 57.50 60.23 3bg1 n TRP 61 Cb 0.50 0.00 -0.04 0.00 -1.03 0.00 0.00 31.31 30.73 3bg1 n TRP 61 CO 0.00 0.00 0.00 -1.14 -0.03 0.00 0.00 177.69 176.52 3bg1 s GLN 62 N 0.00 2.39 -0.14 -0.99 0.74 -1.26 -3.36 119.66 117.03 3bg1 s GLN 62 Ca 0.00 -1.71 -0.14 0.00 0.05 0.00 0.00 55.36 53.57 3bg1 s GLN 62 Cb 0.00 -2.20 0.04 0.00 1.10 0.00 0.00 33.01 31.95 3bg1 s GLN 62 CO 0.00 -0.21 0.39 0.08 -0.55 0.00 0.00 175.29 175.00 3bg1 s VAL 63 N -2.55 0.00 -0.00 1.34 1.01 -1.26 -3.24 120.40 115.70 3bg1 s VAL 63 Ca 0.44 -0.03 -0.00 0.00 0.00 0.00 0.00 61.98 62.39 3bg1 s VAL 63 Cb -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.82 3bg1 s VAL 63 CO 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 175.10 175.34 3bg1 s ALA 64 N 0.10 0.00 -0.12 5.51 0.00 -0.57 -4.61 121.76 122.06 3bg1 s ALA 64 Ca -0.01 0.03 -0.20 0.00 0.00 0.00 0.00 51.96 51.78 3bg1 s ALA 64 Cb -0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 3bg1 s ALA 64 CO 0.01 -0.01 0.54 -1.58 0.00 0.00 0.00 175.76 174.72 3bg1 s TRP 65 N 0.08 3.51 0.91 0.00 0.52 -1.26 -1.32 118.94 121.38 3bg1 s TRP 65 Ca -0.01 0.97 -0.12 0.00 0.02 0.00 0.00 56.10 56.96 3bg1 s TRP 65 Cb -0.01 -2.64 0.14 0.00 -1.15 0.00 0.00 33.47 29.82 3bg1 s TRP 65 CO -0.00 0.11 1.13 0.00 0.02 0.00 0.00 176.95 178.21 3bg1 s ALA 66 N 0.82 1.71 -0.11 0.98 0.00 -0.46 -4.93 121.76 119.76 3bg1 s ALA 66 Ca 0.29 -0.49 -0.30 0.00 0.00 0.00 0.00 51.96 51.46 3bg1 s ALA 66 Cb -0.16 -3.04 -0.02 0.00 0.00 0.00 0.00 23.12 19.89 3bg1 s ALA 66 CO 0.12 -2.32 1.21 -1.58 0.00 0.00 0.00 175.76 173.19 3bg1 s HIS 67 N -3.24 3.07 0.48 0.00 2.46 -1.26 -4.70 115.29 112.11 3bg1 s HIS 67 Ca 0.64 1.15 0.00 0.00 0.47 0.00 0.00 55.06 57.32 3bg1 s HIS 67 Cb -0.15 -3.44 0.00 0.00 -0.13 0.00 0.00 32.58 28.86 3bg1 s HIS 67 CO 0.54 -1.40 0.83 -0.35 -2.47 0.00 0.00 174.74 171.89 3bg1 n PRO 68 N 5.80 0.02 0.21 2.88 -0.04 -1.26 -0.21 135.00 142.40 3bg1 n PRO 68 Ca 0.12 0.69 0.15 0.00 -0.04 0.00 0.00 63.50 64.42 3bg1 n PRO 68 Cb 0.46 -2.27 0.73 0.00 -0.04 0.00 0.00 33.50 32.37 3bg1 n PRO 68 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 3bg1 h MET 69 N 0.00 0.00 -0.33 0.54 1.85 -2.01 -1.75 114.93 113.23 3bg1 h MET 69 Ca 0.00 0.00 -0.19 0.00 -0.61 0.00 0.00 59.70 58.90 3bg1 h MET 69 Cb 1.66 0.00 -0.12 0.00 0.43 0.00 0.00 31.60 33.57 3bg1 h MET 69 CO 0.00 0.00 -0.18 0.66 -0.40 0.00 0.00 176.91 176.99 3bg1 n TYR 70 N -2.55 1.06 -2.89 1.39 4.02 0.71 -5.07 117.16 113.83 3bg1 n TYR 70 Ca -0.01 -1.67 0.00 0.00 -0.01 0.00 0.00 57.90 56.21 3bg1 n TYR 70 Cb 0.12 -0.47 0.00 0.00 -0.02 0.00 0.00 39.34 38.97 3bg1 n TYR 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3bg1 n GLY 71 N -1.10 0.48 2.89 2.72 0.00 -0.66 -4.59 105.19 104.92 3bg1 n GLY 71 Ca 0.32 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 3bg1 n GLY 71 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3bg1 s ASN 72 N -4.00 4.41 0.14 1.61 0.02 -1.26 -4.11 114.94 111.75 3bg1 s ASN 72 Ca 0.00 -1.98 0.10 0.00 -1.02 0.00 0.00 52.86 49.97 3bg1 s ASN 72 Cb 0.00 -1.29 -0.04 0.00 0.02 0.00 0.00 41.25 39.94 3bg1 s ASN 72 CO 0.00 -0.39 -0.25 -0.63 0.02 0.00 0.00 177.10 175.85 3bg1 s ILE 73 N 1.15 2.15 -0.15 0.60 1.01 -1.26 -2.96 121.20 121.74 3bg1 s ILE 73 Ca 0.11 -1.78 -0.08 0.00 0.00 0.00 0.00 60.65 58.90 3bg1 s ILE 73 Cb -0.19 -1.93 0.06 0.00 0.01 0.00 0.00 42.46 40.41 3bg1 s ILE 73 CO -0.15 0.00 0.35 -0.22 0.00 0.00 0.00 174.94 174.93 3bg1 s LEU 74 N -2.17 0.06 0.10 2.97 2.96 -0.99 -1.36 118.68 120.25 3bg1 s LEU 74 Ca 0.14 0.77 0.09 0.00 -0.22 0.00 0.00 54.13 54.91 3bg1 s LEU 74 Cb -0.09 1.14 -0.04 0.00 0.50 0.00 0.00 46.19 47.69 3bg1 s LEU 74 CO 0.06 -0.19 -0.21 0.00 -1.32 0.00 0.00 176.35 174.70 3bg1 s ALA 75 N 1.40 2.58 -0.01 5.97 0.00 -0.43 -0.61 121.76 130.65 3bg1 s ALA 75 Ca -0.09 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.52 3bg1 s ALA 75 Cb -0.09 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.45 3bg1 s ALA 75 CO -0.11 0.58 0.02 -1.54 0.00 0.00 0.00 175.76 174.70 3bg1 s SER 76 N -1.97 0.04 0.55 0.00 1.04 -0.03 -1.52 113.70 111.81 3bg1 s SER 76 Ca 0.16 0.02 0.08 0.00 0.48 0.00 0.00 55.95 56.69 3bg1 s SER 76 Cb -0.10 -0.04 0.06 0.00 0.10 0.00 0.00 66.02 66.04 3bg1 s SER 76 CO 0.08 -0.07 0.62 0.00 0.98 0.00 0.00 173.24 174.85 3bg1 s SER 78 N -4.49 -0.05 0.00 0.00 0.15 -1.17 -2.83 113.70 105.32 3bg1 s SER 78 Ca 0.50 -0.74 0.26 0.00 0.70 0.00 0.00 55.95 56.67 3bg1 s SER 78 Cb -0.04 0.61 1.30 0.00 -1.71 0.00 0.00 66.02 66.17 3bg1 s SER 78 CO 0.31 -1.18 1.87 0.00 1.20 0.00 0.00 173.24 175.44 3bg1 n TYR 79 N -0.59 0.00 1.87 3.44 9.36 -0.67 -0.89 117.16 129.68 3bg1 n TYR 79 Ca -0.05 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.20 3bg1 n TYR 79 Cb 0.60 -0.30 0.15 0.00 -0.63 0.00 0.00 39.34 39.16 3bg1 n TYR 79 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 3bg1 n ASP 80 N -1.30 0.23 0.00 2.98 5.75 -1.26 -4.31 116.55 118.64 3bg1 n ASP 80 Ca 0.12 -1.86 0.00 0.00 -0.01 0.00 0.00 54.79 53.04 3bg1 n ASP 80 Cb 0.21 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 3bg1 n ASP 80 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3bg1 n ARG 81 N -0.45 -0.06 -4.25 0.11 1.74 -1.16 -4.90 116.66 107.70 3bg1 n ARG 81 Ca 0.05 0.02 -0.27 0.00 -0.77 0.00 0.00 57.85 56.87 3bg1 n ARG 81 Cb 0.05 -3.73 -0.09 0.00 -1.02 0.00 0.00 32.46 27.67 3bg1 n ARG 81 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3bg1 s LYS 82 N -0.63 2.18 -0.02 5.56 1.02 -1.26 -4.27 119.74 122.32 3bg1 s LYS 82 Ca 0.00 -1.18 0.06 0.00 0.02 0.00 0.00 55.97 54.87 3bg1 s LYS 82 Cb 0.00 -2.24 -0.01 0.00 -0.52 0.00 0.00 37.83 35.05 3bg1 s LYS 82 CO 0.00 0.45 -0.19 0.08 -0.92 0.00 0.00 175.35 174.77 3bg1 s VAL 83 N -1.64 1.54 0.03 3.17 1.01 -0.53 -3.02 120.40 120.96 3bg1 s VAL 83 Ca 0.25 -0.83 0.09 0.00 0.00 0.00 0.00 61.98 61.49 3bg1 s VAL 83 Cb -0.09 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 3bg1 s VAL 83 CO 0.16 0.44 -0.25 -0.63 0.00 0.00 0.00 175.10 174.82 3bg1 s ILE 84 N -0.40 2.01 -0.22 2.22 1.01 0.06 -1.73 121.20 124.16 3bg1 s ILE 84 Ca 0.06 -1.27 0.02 0.00 0.00 0.00 0.00 60.65 59.46 3bg1 s ILE 84 Cb -0.08 -1.71 0.04 0.00 0.01 0.00 0.00 42.46 40.72 3bg1 s ILE 84 CO -0.00 0.39 -0.15 -0.63 0.00 0.00 0.00 174.94 174.54 3bg1 s ILE 85 N -0.74 2.13 -0.31 2.92 1.01 -0.98 -0.85 121.20 124.37 3bg1 s ILE 85 Ca 0.10 -1.27 -0.09 0.00 0.00 0.00 0.00 60.65 59.39 3bg1 s ILE 85 Cb -0.10 -2.07 0.00 0.00 0.01 0.00 0.00 42.46 40.31 3bg1 s ILE 85 CO 0.01 0.26 0.13 0.26 0.00 0.00 0.00 174.94 175.61 3bg1 s TRP 86 N 1.20 3.17 0.22 3.97 0.52 0.22 -2.36 118.94 125.89 3bg1 s TRP 86 Ca -0.02 -0.74 -0.03 0.00 0.02 0.00 0.00 56.10 55.33 3bg1 s TRP 86 Cb -0.16 -2.33 0.05 0.00 -1.15 0.00 0.00 33.47 29.88 3bg1 s TRP 86 CO -0.09 -0.51 0.30 -2.13 0.02 0.00 0.00 176.95 174.53 3bg1 n ARG 87 N 4.94 -0.09 -3.66 4.98 3.00 -0.50 -2.34 116.66 122.99 3bg1 n ARG 87 Ca -0.14 -0.54 -0.07 0.00 -0.00 0.00 0.00 57.85 57.10 3bg1 n ARG 87 Cb 0.48 -0.28 -0.08 0.00 0.00 0.00 0.00 32.46 32.58 3bg1 n ARG 87 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 3bg1 s GLU 88 N -3.51 0.49 -0.47 -0.14 2.12 -1.16 -3.64 118.70 112.39 3bg1 s GLU 88 Ca 0.18 1.09 0.03 0.00 0.36 0.00 0.00 54.97 56.63 3bg1 s GLU 88 Cb -0.01 0.29 0.16 0.00 0.26 0.00 0.00 34.13 34.83 3bg1 s GLU 88 CO 0.12 -0.19 0.33 -1.21 -0.54 0.00 0.00 175.26 173.77 3bg1 s GLU 89 N 2.09 1.28 -0.21 4.30 2.02 -0.95 -4.65 118.70 122.58 3bg1 s GLU 89 Ca -0.07 -2.24 0.00 0.00 0.02 0.00 0.00 54.97 52.68 3bg1 s GLU 89 Cb -0.09 -2.06 0.00 0.00 0.10 0.00 0.00 34.13 32.08 3bg1 s GLU 89 CO -0.16 -1.29 0.00 0.09 0.02 0.00 0.00 175.26 173.93 3bg1 n ASN 90 N 3.00 -2.10 0.00 -0.19 3.02 -1.26 -2.95 115.26 114.78 3bg1 n ASN 90 Ca 0.20 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 3bg1 n ASN 90 Cb 0.40 -0.99 0.00 0.00 -0.61 0.00 0.00 39.78 38.59 3bg1 n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bg1 n GLY 91 N -1.55 0.39 3.58 7.41 0.00 -1.26 -5.00 105.19 108.76 3bg1 n GLY 91 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 3bg1 n GLY 91 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bg1 s THR 92 N -2.00 3.84 -1.28 2.61 2.01 -1.15 -4.89 115.64 114.77 3bg1 s THR 92 Ca 0.00 -1.42 -0.16 0.00 0.31 0.00 0.00 61.69 60.42 3bg1 s THR 92 Cb 0.00 -4.89 0.10 0.00 0.01 0.00 0.00 72.50 67.72 3bg1 s THR 92 CO 0.00 -1.52 1.68 0.79 -0.69 0.00 0.00 174.62 174.88 3bg1 n TRP 93 N 11.33 4.66 -4.12 4.92 7.02 -1.26 -2.23 117.44 137.76 3bg1 n TRP 93 Ca 0.47 -2.99 -0.22 0.00 -1.02 0.00 0.00 57.50 53.73 3bg1 n TRP 93 Cb 0.46 -2.49 -0.06 0.00 -2.42 0.00 0.00 31.31 26.81 3bg1 n TRP 93 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 3bg1 s GLU 94 N 3.32 2.57 -0.18 -0.99 2.02 -1.24 -4.94 118.70 119.26 3bg1 s GLU 94 Ca 0.50 -1.32 -0.19 0.00 0.02 0.00 0.00 54.97 53.98 3bg1 s GLU 94 Cb 0.03 -2.34 -0.03 0.00 0.10 0.00 0.00 34.13 31.89 3bg1 s GLU 94 CO 0.05 0.27 0.56 -1.59 0.02 0.00 0.00 175.26 174.56 3bg1 s LYS 95 N -3.82 4.23 0.18 1.61 -2.85 -1.26 -1.41 119.74 116.42 3bg1 s LYS 95 Ca 0.35 0.51 0.23 0.00 -1.00 0.00 0.00 55.97 56.05 3bg1 s LYS 95 Cb -0.06 -3.54 0.12 0.00 -2.06 0.00 0.00 37.83 32.29 3bg1 s LYS 95 CO 0.23 -0.12 1.15 0.66 0.10 0.00 0.00 175.35 177.38 3bg1 h SER 96 N 7.32 0.00 -5.01 0.03 4.64 -1.83 -3.47 113.55 115.23 3bg1 h SER 96 Ca -0.34 -0.08 -0.06 0.00 -0.47 0.00 0.00 61.79 60.83 3bg1 h SER 96 Cb 1.16 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.08 3bg1 h SER 96 CO 0.75 0.04 0.06 -2.28 -0.87 0.00 0.00 176.83 174.54 3bg1 s HIS 97 N -3.29 -0.48 0.07 4.77 5.65 -1.23 -5.00 115.29 115.78 3bg1 s HIS 97 Ca 0.02 0.64 0.01 0.00 0.25 0.00 0.00 55.06 55.98 3bg1 s HIS 97 Cb 0.11 0.35 -0.03 0.00 -1.18 0.00 0.00 32.58 31.82 3bg1 s HIS 97 CO 0.76 -0.62 -0.06 -2.00 -0.65 0.00 0.00 174.74 172.17 3bg1 s GLU 98 N -2.05 0.66 -0.23 2.88 2.12 -1.26 -2.33 118.70 118.48 3bg1 s GLU 98 Ca -0.07 -1.08 -0.04 0.00 0.36 0.00 0.00 54.97 54.13 3bg1 s GLU 98 Cb -0.01 -0.12 0.12 0.00 0.26 0.00 0.00 34.13 34.38 3bg1 s GLU 98 CO 0.02 -0.02 0.43 -1.58 -0.54 0.00 0.00 175.26 173.57 3bg1 s HIS 99 N -2.85 -0.92 -0.59 5.30 5.65 -0.70 -5.01 115.29 116.16 3bg1 s HIS 99 Ca 0.02 1.26 0.04 0.00 0.25 0.00 0.00 55.06 56.63 3bg1 s HIS 99 Cb 0.00 0.22 0.37 0.00 -1.18 0.00 0.00 32.58 32.00 3bg1 s HIS 99 CO -0.04 -0.64 1.21 0.00 -0.65 0.00 0.00 174.74 174.62 3bg1 n ALA 100 N 5.39 5.17 1.77 1.58 0.00 -1.26 -1.45 120.51 131.71 3bg1 n ALA 100 Ca -0.06 -4.48 0.15 0.00 0.00 0.00 0.00 53.44 49.06 3bg1 n ALA 100 Cb 0.50 -0.92 0.86 0.00 0.00 0.00 0.00 19.45 19.89 3bg1 n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bg1 n GLY 101 N -0.36 -1.07 3.47 0.00 0.00 -1.26 -4.85 105.19 101.13 3bg1 n GLY 101 Ca 0.38 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 3bg1 n GLY 101 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bg1 s HIS 102 N -2.21 2.51 0.07 1.61 3.76 -1.26 -5.05 115.29 114.72 3bg1 s HIS 102 Ca 0.41 -0.28 0.07 0.00 -0.15 0.00 0.00 55.06 55.11 3bg1 s HIS 102 Cb 0.21 -1.35 -0.22 0.00 1.11 0.00 0.00 32.58 32.33 3bg1 s HIS 102 CO 0.40 0.37 1.10 -0.44 -0.85 0.00 0.00 174.74 175.32 3bg1 h ASP 103 N 3.84 0.05 -1.56 1.40 3.32 -1.88 -3.46 116.42 118.12 3bg1 h ASP 103 Ca -0.50 -0.06 -0.54 0.00 0.02 0.00 0.00 57.03 55.96 3bg1 h ASP 103 Cb 1.17 -0.01 -0.06 0.00 0.22 0.00 0.00 39.33 40.64 3bg1 h ASP 103 CO 0.45 1.05 -0.45 -0.44 -1.72 0.00 0.00 179.24 178.13 3bg1 s SER 104 N -6.61 4.67 0.94 6.45 0.01 -1.26 -4.91 113.70 112.99 3bg1 s SER 104 Ca -0.01 -0.95 -0.15 0.00 1.31 0.00 0.00 55.95 56.15 3bg1 s SER 104 Cb 0.09 -0.52 -0.06 0.00 0.21 0.00 0.00 66.02 65.74 3bg1 s SER 104 CO 0.83 -0.59 -0.16 -1.54 0.41 0.00 0.00 173.24 172.19 3bg1 n SER 105 N -1.36 -3.89 -4.03 2.44 3.41 -1.26 -4.23 113.62 104.69 3bg1 n SER 105 Ca 0.01 0.29 -0.33 0.00 -0.26 0.00 0.00 58.87 58.58 3bg1 n SER 105 Cb 0.63 -0.99 -0.12 0.00 -0.26 0.00 0.00 64.21 63.48 3bg1 n SER 105 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3bg1 s VAL 106 N -2.16 3.13 0.56 -3.33 1.01 -0.07 0.81 120.40 120.35 3bg1 s VAL 106 Ca 0.50 -3.02 0.27 0.00 0.00 0.00 0.00 61.98 59.73 3bg1 s VAL 106 Cb -0.22 -3.11 0.38 0.00 0.00 0.00 0.00 36.38 33.44 3bg1 s VAL 106 CO 0.74 -0.82 2.00 0.78 0.00 0.00 0.00 175.10 177.80 3bg1 h ASN 107 N 6.91 0.00 -4.99 3.32 2.35 -1.68 -3.30 115.58 118.19 3bg1 h ASN 107 Ca -0.05 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 3bg1 h ASN 107 Cb 0.94 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 39.18 3bg1 h ASN 107 CO 0.69 0.00 0.22 -0.55 -1.65 0.00 0.00 177.43 176.14 3bg1 s SER 108 N -5.88 -0.57 0.11 5.81 0.15 -1.16 -4.25 113.70 107.91 3bg1 s SER 108 Ca -0.05 0.04 -0.02 0.00 0.70 0.00 0.00 55.95 56.62 3bg1 s SER 108 Cb 0.18 0.59 -0.04 0.00 -1.71 0.00 0.00 66.02 65.04 3bg1 s SER 108 CO 0.64 -0.94 0.06 -0.69 1.20 0.00 0.00 173.24 173.51 3bg1 s VAL 109 N -3.59 0.13 -0.15 4.45 1.01 -1.26 -1.87 120.40 119.12 3bg1 s VAL 109 Ca 0.00 -1.84 -0.30 0.00 0.00 0.00 0.00 61.98 59.84 3bg1 s VAL 109 Cb -0.01 -1.90 0.13 0.00 0.00 0.00 0.00 36.38 34.60 3bg1 s VAL 109 CO -0.12 -0.57 1.04 0.00 0.00 0.00 0.00 175.10 175.45 3bg1 s TRP 111 N -1.67 3.21 0.39 0.00 0.52 -1.26 -0.84 118.94 119.29 3bg1 s TRP 111 Ca 0.02 0.15 -0.24 0.00 0.02 0.00 0.00 56.10 56.05 3bg1 s TRP 111 Cb -0.01 -1.70 -0.09 0.00 -1.15 0.00 0.00 33.47 30.52 3bg1 s TRP 111 CO -0.02 0.52 1.02 0.00 0.02 0.00 0.00 176.95 178.49 3bg1 s ALA 112 N -1.19 3.09 0.03 0.98 0.00 0.01 -4.75 121.76 119.93 3bg1 s ALA 112 Ca 0.23 0.62 -0.39 0.00 0.00 0.00 0.00 51.96 52.43 3bg1 s ALA 112 Cb -0.12 -3.24 -0.19 0.00 0.00 0.00 0.00 23.12 19.58 3bg1 s ALA 112 CO 0.14 -0.10 1.18 -2.30 0.00 0.00 0.00 175.76 174.67 3bg1 n PRO 113 N -0.08 0.45 0.31 0.00 -0.02 -1.26 -4.67 135.00 129.73 3bg1 n PRO 113 Ca 0.05 0.16 0.02 0.00 -2.02 0.00 0.00 63.50 61.71 3bg1 n PRO 113 Cb 0.50 -1.72 0.08 0.00 -0.02 0.00 0.00 33.50 32.35 3bg1 n PRO 113 CO 0.00 0.00 0.00 1.12 1.98 0.00 0.00 175.50 178.60 3bg1 h HIS 114 N 3.62 0.00 0.06 6.00 2.07 -1.91 -1.72 115.15 123.27 3bg1 h HIS 114 Ca -0.50 0.00 -0.27 0.00 -2.85 0.00 0.00 60.37 56.76 3bg1 h HIS 114 Cb 1.39 0.00 0.02 0.00 2.57 0.00 0.00 27.41 31.39 3bg1 h HIS 114 CO 0.58 0.00 -1.12 -0.44 -3.07 0.00 0.00 177.93 173.89 3bg1 h ASP 115 N 0.00 0.72 -0.12 3.10 3.32 -2.01 -3.16 116.42 118.26 3bg1 h ASP 115 Ca 0.00 -0.63 0.04 0.00 0.02 0.00 0.00 57.03 56.45 3bg1 h ASP 115 Cb 1.80 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 41.12 3bg1 h ASP 115 CO 0.00 1.45 0.15 1.88 -1.72 0.00 0.00 179.24 180.99 3bg1 h TYR 116 N 0.26 0.00 0.00 4.55 0.99 -1.63 -3.48 116.97 117.66 3bg1 h TYR 116 Ca -0.14 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.59 3bg1 h TYR 116 Cb 1.78 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.51 3bg1 h TYR 116 CO 0.09 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.66 3bg1 n GLY 117 N -1.37 0.32 2.49 3.88 0.00 -1.20 -4.87 105.19 104.45 3bg1 n GLY 117 Ca 0.00 -1.43 -0.27 0.00 0.00 0.00 0.00 46.02 44.32 3bg1 n GLY 117 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3bg1 n LEU 118 N 0.00 3.20 -4.78 0.99 7.94 -1.26 -4.52 117.00 118.58 3bg1 n LEU 118 Ca 0.00 -5.31 -0.36 0.00 -1.11 0.00 0.00 56.01 49.23 3bg1 n LEU 118 Cb 0.00 -0.54 -0.08 0.00 0.53 0.00 0.00 43.42 43.33 3bg1 n LEU 118 CO 0.00 2.00 -0.23 -0.63 -1.11 0.00 0.00 177.39 177.42 3bg1 s ILE 119 N -2.11 4.98 -0.10 1.96 1.01 -1.26 -3.30 121.20 122.38 3bg1 s ILE 119 Ca 0.36 0.01 0.04 0.00 0.00 0.00 0.00 60.65 61.06 3bg1 s ILE 119 Cb 0.11 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.43 3bg1 s ILE 119 CO -0.06 0.59 -0.23 -0.22 0.00 0.00 0.00 174.94 175.03 3bg1 s LEU 120 N -0.80 2.05 -0.15 2.97 2.96 0.38 -0.81 118.68 125.28 3bg1 s LEU 120 Ca 0.13 -0.54 -0.04 0.00 -0.22 0.00 0.00 54.13 53.46 3bg1 s LEU 120 Cb -0.12 -1.35 -0.03 0.00 0.50 0.00 0.00 46.19 45.19 3bg1 s LEU 120 CO 0.03 0.15 -0.01 0.00 -1.32 0.00 0.00 176.35 175.20 3bg1 s ALA 121 N 0.38 3.15 -0.07 5.97 0.00 -0.02 -1.07 121.76 130.10 3bg1 s ALA 121 Ca -0.18 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 50.99 3bg1 s ALA 121 Cb -0.18 -1.64 0.02 0.00 0.00 0.00 0.00 23.12 21.33 3bg1 s ALA 121 CO 0.08 0.27 -0.08 0.00 0.00 0.00 0.00 175.76 176.03 3bg1 s GLY 123 N 1.03 1.74 0.14 0.00 0.00 -0.78 -0.84 107.32 108.61 3bg1 s GLY 123 Ca -0.08 -1.01 -0.00 0.00 0.00 0.00 0.00 44.72 43.62 3bg1 s GLY 123 CO -0.00 0.30 0.19 -1.14 0.00 0.00 0.00 173.10 172.45 3bg1 n SER 124 N 4.38 0.21 -0.24 1.64 3.41 -1.09 -2.37 113.62 119.56 3bg1 n SER 124 Ca -0.17 -1.19 0.09 0.00 -0.26 0.00 0.00 58.87 57.34 3bg1 n SER 124 Cb 0.52 -0.12 -0.05 0.00 -0.26 0.00 0.00 64.21 64.30 3bg1 n SER 124 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3bg1 n SER 125 N -3.01 1.37 -0.05 4.04 2.88 0.24 -0.54 113.62 118.56 3bg1 n SER 125 Ca 0.03 -1.19 0.15 0.00 -1.33 0.00 0.00 58.87 56.53 3bg1 n SER 125 Cb 0.11 0.70 0.69 0.00 -0.75 0.00 0.00 64.21 64.96 3bg1 n SER 125 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3bg1 n ASP 126 N -0.66 0.21 0.00 -3.46 5.68 -1.26 -3.83 116.55 113.22 3bg1 n ASP 126 Ca 0.06 -0.36 0.00 0.00 -0.50 0.00 0.00 54.79 53.98 3bg1 n ASP 126 Cb 0.34 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 3bg1 n ASP 126 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bg1 n GLY 127 N 1.28 1.25 0.84 6.12 0.00 -1.26 -4.65 105.19 108.77 3bg1 n GLY 127 Ca 0.15 -0.26 -0.07 0.00 0.00 0.00 0.00 46.02 45.83 3bg1 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bg1 n ALA 128 N -1.08 0.13 -3.15 4.61 0.00 -1.26 0.71 120.51 120.47 3bg1 n ALA 128 Ca 0.00 -0.51 0.04 0.00 0.00 0.00 0.00 53.44 52.97 3bg1 n ALA 128 Cb 0.08 0.26 -0.01 0.00 0.00 0.00 0.00 19.45 19.77 3bg1 n ALA 128 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3bg1 s ILE 129 N -1.12 -0.94 0.34 0.00 1.01 -0.69 -2.68 121.20 117.12 3bg1 s ILE 129 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 60.65 60.68 3bg1 s ILE 129 Cb -0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.44 3bg1 s ILE 129 CO 0.02 0.00 0.55 -0.94 0.00 0.00 0.00 174.94 174.56 3bg1 s SER 130 N 2.87 6.31 -0.32 3.58 1.04 -0.02 -0.90 113.70 126.26 3bg1 s SER 130 Ca 0.19 0.47 -0.02 0.00 0.48 0.00 0.00 55.95 57.07 3bg1 s SER 130 Cb -0.14 -2.04 0.12 0.00 0.10 0.00 0.00 66.02 64.06 3bg1 s SER 130 CO -0.20 -0.28 0.19 -0.76 0.98 0.00 0.00 173.24 173.16 3bg1 s LEU 131 N -4.24 0.67 -0.37 2.42 1.43 -1.06 -1.32 118.68 116.21 3bg1 s LEU 131 Ca 0.40 -1.69 -0.29 0.00 -1.03 0.00 0.00 54.13 51.52 3bg1 s LEU 131 Cb -0.10 -0.28 0.02 0.00 0.03 0.00 0.00 46.19 45.86 3bg1 s LEU 131 CO 0.36 -0.37 1.12 -0.76 0.23 0.00 0.00 176.35 176.93 3bg1 s LEU 132 N 1.61 3.82 0.15 1.79 1.43 -0.23 -3.24 118.68 124.01 3bg1 s LEU 132 Ca 0.14 0.87 0.03 0.00 -1.03 0.00 0.00 54.13 54.13 3bg1 s LEU 132 Cb -0.19 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 3bg1 s LEU 132 CO -0.18 -1.03 0.25 -0.89 0.23 0.00 0.00 176.35 174.73 3bg1 s THR 133 N 4.02 5.14 0.05 5.49 2.01 -1.01 -0.47 115.64 130.87 3bg1 s THR 133 Ca 0.48 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.73 3bg1 s THR 133 Cb -0.11 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 3bg1 s THR 133 CO 0.22 -0.10 0.04 -0.47 -0.69 0.00 0.00 174.62 173.62 3bg1 s TYR 134 N -1.75 3.13 0.00 4.92 5.04 -1.21 -3.15 117.35 124.33 3bg1 s TYR 134 Ca 0.34 0.07 0.00 0.00 -2.44 0.00 0.00 57.07 55.04 3bg1 s TYR 134 Cb -0.11 -1.63 0.00 0.00 0.35 0.00 0.00 41.96 40.57 3bg1 s TYR 134 CO 0.27 0.50 0.00 2.41 -1.34 0.00 0.00 175.55 177.39 3bg1 n THR 135 N 0.84 0.00 0.04 4.34 -1.04 -1.05 -4.89 114.28 112.52 3bg1 n THR 135 Ca -0.11 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.76 3bg1 n THR 135 Cb 0.52 -0.18 -0.07 0.00 -1.82 0.00 0.00 70.33 68.78 3bg1 n THR 135 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3bg1 h GLY 136 N 0.00 -0.78 0.00 3.41 0.00 -2.00 -3.45 103.07 100.24 3bg1 h GLY 136 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.85 3bg1 h GLY 136 CO 0.00 -0.24 0.00 1.18 0.00 0.00 0.00 176.54 177.48 3bg1 n GLU 137 N -5.45 3.75 -0.55 4.80 -0.58 -1.26 -4.93 120.64 116.43 3bg1 n GLU 137 Ca -0.05 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.65 3bg1 n GLU 137 Cb 0.37 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.19 3bg1 n GLU 137 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3bg1 n GLY 138 N 5.00 2.26 3.45 0.62 0.00 -1.26 -4.81 105.19 110.46 3bg1 n GLY 138 Ca 0.00 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 3bg1 n GLY 138 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bg1 s GLN 139 N 0.83 2.18 -0.15 1.61 -0.21 -1.26 -5.03 119.66 117.63 3bg1 s GLN 139 Ca 0.21 -0.91 -0.04 0.00 0.02 0.00 0.00 55.36 54.64 3bg1 s GLN 139 Cb 0.10 -2.23 0.07 0.00 1.00 0.00 0.00 33.01 31.95 3bg1 s GLN 139 CO 0.00 0.56 0.17 -1.58 -2.12 0.00 0.00 175.29 172.32 3bg1 s TRP 140 N -0.86 -0.13 0.47 0.91 0.52 -1.26 -2.53 118.94 116.06 3bg1 s TRP 140 Ca 0.14 0.23 -0.16 0.00 0.02 0.00 0.00 56.10 56.32 3bg1 s TRP 140 Cb -0.10 -0.41 -0.08 0.00 -1.15 0.00 0.00 33.47 31.73 3bg1 s TRP 140 CO 0.04 -0.46 0.93 -1.21 0.02 0.00 0.00 176.95 176.26 3bg1 s GLU 141 N 2.27 3.99 -0.51 4.98 2.02 -1.19 -4.90 118.70 125.36 3bg1 s GLU 141 Ca 0.04 0.90 0.05 0.00 0.02 0.00 0.00 54.97 55.99 3bg1 s GLU 141 Cb -0.14 -2.20 0.20 0.00 0.10 0.00 0.00 34.13 32.08 3bg1 s GLU 141 CO -0.09 -0.16 0.48 0.28 0.02 0.00 0.00 175.26 175.79 3bg1 n VAL 142 N -1.26 0.07 -1.78 2.63 0.31 -1.26 -2.41 118.33 114.62 3bg1 n VAL 142 Ca 0.06 -4.15 -0.43 0.00 -0.01 0.00 0.00 64.34 59.81 3bg1 n VAL 142 Cb 0.54 -1.91 -0.03 0.00 -0.91 0.00 0.00 33.84 31.53 3bg1 n VAL 142 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3bg1 s LYS 143 N -0.96 3.53 0.12 5.55 1.02 -1.20 -4.70 119.74 123.10 3bg1 s LYS 143 Ca 0.33 2.01 0.04 0.00 0.02 0.00 0.00 55.97 58.37 3bg1 s LYS 143 Cb 0.07 -4.23 -0.04 0.00 -0.52 0.00 0.00 37.83 33.11 3bg1 s LYS 143 CO -0.14 -1.64 0.13 0.21 -0.92 0.00 0.00 175.35 172.99 3bg1 s LYS 144 N 5.47 2.97 -0.34 1.68 2.20 -1.26 -2.57 119.74 127.90 3bg1 s LYS 144 Ca 0.89 -0.74 0.03 0.00 -0.36 0.00 0.00 55.97 55.79 3bg1 s LYS 144 Cb -0.32 -2.73 0.10 0.00 -1.51 0.00 0.00 37.83 33.37 3bg1 s LYS 144 CO 0.35 0.53 0.06 0.42 -0.36 0.00 0.00 175.35 176.35 3bg1 s ILE 145 N -1.58 2.11 0.52 5.43 1.01 -0.07 -4.96 121.20 123.65 3bg1 s ILE 145 Ca 0.31 -2.24 -0.17 0.00 0.00 0.00 0.00 60.65 58.54 3bg1 s ILE 145 Cb -0.11 -2.57 -0.07 0.00 0.01 0.00 0.00 42.46 39.72 3bg1 s ILE 145 CO 0.24 -0.61 1.00 0.20 0.00 0.00 0.00 174.94 175.77 3bg1 s ASN 146 N 0.98 6.43 -1.50 3.58 0.01 -1.26 -1.70 114.94 121.48 3bg1 s ASN 146 Ca 0.11 1.67 -0.01 0.00 -0.71 0.00 0.00 52.86 53.92 3bg1 s ASN 146 Cb -0.19 -2.52 0.01 0.00 0.41 0.00 0.00 41.25 38.96 3bg1 s ASN 146 CO -0.10 -0.72 0.21 0.59 -1.51 0.00 0.00 177.10 175.57 3bg1 n ASN 147 N -1.54 0.28 -0.04 -1.22 4.13 -0.93 -4.86 115.26 111.08 3bg1 n ASN 147 Ca 0.07 -1.16 -0.17 0.00 1.68 0.00 0.00 54.58 55.01 3bg1 n ASN 147 Cb 0.54 -2.25 -0.06 0.00 -1.54 0.00 0.00 39.78 36.47 3bg1 n ASN 147 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3bg1 h ALA 148 N 0.81 0.36 -2.85 5.41 0.00 0.14 -3.45 119.26 119.68 3bg1 h ALA 148 Ca -0.64 -0.58 -0.46 0.00 0.00 0.00 0.00 54.91 53.23 3bg1 h ALA 148 Cb 1.39 -0.03 -0.18 0.00 0.00 0.00 0.00 17.79 18.97 3bg1 h ALA 148 CO 0.68 0.68 -0.77 -1.01 0.00 0.00 0.00 179.25 178.84 3bg1 s HIS 149 N -3.85 1.59 0.02 0.00 3.76 -1.20 -5.00 115.29 110.61 3bg1 s HIS 149 Ca -0.10 -0.53 -0.25 0.00 -0.15 0.00 0.00 55.06 54.03 3bg1 s HIS 149 Cb 0.09 -0.81 -0.17 0.00 1.11 0.00 0.00 32.58 32.80 3bg1 s HIS 149 CO 0.90 0.23 1.38 1.15 -0.85 0.00 0.00 174.74 177.55 3bg1 h THR 150 N 3.33 0.95 -0.04 1.30 2.02 -1.89 -3.35 112.91 115.23 3bg1 h THR 150 Ca -0.41 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.18 3bg1 h THR 150 Cb 1.20 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 3bg1 h THR 150 CO 0.52 0.14 0.00 -0.38 0.37 0.00 0.00 175.52 176.16 3bg1 n ILE 151 N -5.06 0.04 0.00 3.11 5.41 -1.26 -4.87 119.36 116.73 3bg1 n ILE 151 Ca -0.09 -0.52 0.00 0.00 1.00 0.00 0.00 62.75 63.14 3bg1 n ILE 151 Cb 0.21 1.33 0.00 0.00 -0.71 0.00 0.00 39.64 40.47 3bg1 n ILE 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3bg1 n GLY 152 N 0.97 1.02 3.12 7.39 0.00 -1.25 -4.66 105.19 111.79 3bg1 n GLY 152 Ca 0.10 -1.96 -0.20 0.00 0.00 0.00 0.00 46.02 43.97 3bg1 n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bg1 n ASN 154 N 2.08 3.82 -4.47 0.00 3.02 -1.15 -4.35 115.26 114.22 3bg1 n ASN 154 Ca -0.17 -0.01 -0.29 0.00 -0.03 0.00 0.00 54.58 54.07 3bg1 n ASN 154 Cb 0.55 -0.02 -0.12 0.00 -0.61 0.00 0.00 39.78 39.59 3bg1 n ASN 154 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3bg1 s ALA 155 N -2.05 2.63 -0.20 5.41 0.00 -1.21 -4.06 121.76 122.28 3bg1 s ALA 155 Ca -0.04 -1.35 -0.04 0.00 0.00 0.00 0.00 51.96 50.53 3bg1 s ALA 155 Cb 0.01 -0.62 0.10 0.00 0.00 0.00 0.00 23.12 22.61 3bg1 s ALA 155 CO 0.06 0.58 0.34 0.08 0.00 0.00 0.00 175.76 176.82 3bg1 s VAL 156 N -1.11 -0.53 0.01 0.00 1.01 -1.26 -2.62 120.40 115.90 3bg1 s VAL 156 Ca 0.17 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.27 3bg1 s VAL 156 Cb -0.10 -0.66 -0.01 0.00 0.00 0.00 0.00 36.38 35.60 3bg1 s VAL 156 CO 0.09 -0.02 -0.13 -0.55 0.00 0.00 0.00 175.10 174.49 3bg1 s SER 157 N 2.50 1.49 0.07 3.32 0.15 -1.24 -4.63 113.70 115.37 3bg1 s SER 157 Ca 0.05 -0.32 -0.17 0.00 0.70 0.00 0.00 55.95 56.22 3bg1 s SER 157 Cb -0.14 -0.13 -0.06 0.00 -1.71 0.00 0.00 66.02 63.97 3bg1 s SER 157 CO -0.13 0.10 0.52 0.26 1.20 0.00 0.00 173.24 175.19 3bg1 s TRP 158 N -0.52 3.73 0.19 3.44 0.52 -1.26 -2.21 118.94 122.83 3bg1 s TRP 158 Ca 0.03 1.15 -0.30 0.00 0.02 0.00 0.00 56.10 57.00 3bg1 s TRP 158 Cb -0.06 -2.41 -0.08 0.00 -1.15 0.00 0.00 33.47 29.77 3bg1 s TRP 158 CO 0.00 0.56 1.04 0.00 0.02 0.00 0.00 176.95 178.57 3bg1 s ALA 159 N -1.20 3.34 0.17 0.98 0.00 -1.12 -4.57 121.76 119.36 3bg1 s ALA 159 Ca 0.30 0.74 -0.34 0.00 0.00 0.00 0.00 51.96 52.66 3bg1 s ALA 159 Cb -0.18 -3.31 -0.15 0.00 0.00 0.00 0.00 23.12 19.49 3bg1 s ALA 159 CO 0.18 -0.08 1.40 -0.35 0.00 0.00 0.00 175.76 176.91 3bg1 n PRO 160 N 2.11 1.70 -1.62 0.00 -0.04 -1.26 -4.77 135.00 131.12 3bg1 n PRO 160 Ca 0.01 0.61 -0.44 0.00 -0.04 0.00 0.00 63.50 63.65 3bg1 n PRO 160 Cb 0.47 -2.27 -0.03 0.00 -0.04 0.00 0.00 33.50 31.62 3bg1 n PRO 160 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3bg1 n ALA 161 N 2.47 1.60 -3.54 0.55 0.00 -1.26 -4.95 120.51 115.38 3bg1 n ALA 161 Ca 0.16 -0.02 -0.33 0.00 0.00 0.00 0.00 53.44 53.24 3bg1 n ALA 161 Cb 0.26 -2.78 -0.15 0.00 0.00 0.00 0.00 19.45 16.78 3bg1 n ALA 161 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3bg1 s VAL 162 N 6.48 2.72 0.15 0.00 1.01 -1.26 -5.06 120.40 124.43 3bg1 s VAL 162 Ca 0.96 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 3bg1 s VAL 162 Cb -0.43 -2.16 -0.07 0.00 0.00 0.00 0.00 36.38 33.72 3bg1 s VAL 162 CO 0.40 0.50 1.08 -0.69 0.00 0.00 0.00 175.10 176.39 3bg1 s VAL 163 N 0.96 4.05 0.00 2.92 1.01 -1.26 -4.50 120.40 123.58 3bg1 s VAL 163 Ca -0.02 1.71 0.00 0.00 0.00 0.00 0.00 61.98 63.66 3bg1 s VAL 163 Cb -0.15 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.14 3bg1 s VAL 163 CO -0.02 0.26 0.33 -0.81 0.00 0.00 0.00 175.10 174.86 3bg1 n PRO 164 N 2.67 0.00 -1.66 2.72 -0.04 -1.26 -5.10 135.00 132.33 3bg1 n PRO 164 Ca 0.03 0.04 -0.01 0.00 -0.04 0.00 0.00 63.50 63.52 3bg1 n PRO 164 Cb 0.47 -0.84 0.01 0.00 -0.04 0.00 0.00 33.50 33.09 3bg1 n PRO 164 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3bg1 n PRO 171 N -0.62 -0.20 0.00 0.54 -0.04 -1.26 -5.09 135.00 128.32 3bg1 n PRO 171 Ca 0.00 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 3bg1 n PRO 171 Cb 0.00 -1.89 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 3bg1 n PRO 171 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3bg1 n SER 172 N -1.63 0.00 -4.45 3.54 3.41 -1.26 -5.07 113.62 108.16 3bg1 n SER 172 Ca -0.01 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.16 3bg1 n SER 172 Cb 0.51 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.46 3bg1 n SER 172 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3bg1 s GLY 173 N 0.00 2.36 -0.06 5.00 0.00 -1.26 -4.96 107.32 108.40 3bg1 s GLY 173 Ca 0.00 -3.27 -0.14 0.00 0.00 0.00 0.00 44.72 41.30 3bg1 s GLY 173 CO 0.00 2.00 0.34 -0.86 0.00 0.00 0.00 173.10 174.58 3bg1 s GLN 174 N 1.64 0.58 -0.34 2.90 -2.07 -1.26 -5.11 119.66 116.00 3bg1 s GLN 174 Ca 0.40 0.09 -0.18 0.00 -1.82 0.00 0.00 55.36 53.85 3bg1 s GLN 174 Cb -0.04 0.26 -0.01 0.00 -1.09 0.00 0.00 33.01 32.14 3bg1 s GLN 174 CO -0.02 -0.13 0.50 -1.59 -1.32 0.00 0.00 175.29 172.72 3bg1 s LYS 175 N -0.73 3.66 0.73 9.60 -2.85 -1.26 -5.03 119.74 123.87 3bg1 s LYS 175 Ca -0.08 -0.14 -0.17 0.00 -1.00 0.00 0.00 55.97 54.57 3bg1 s LYS 175 Cb -0.04 -3.79 -0.14 0.00 -2.06 0.00 0.00 37.83 31.80 3bg1 s LYS 175 CO 0.03 -0.60 -0.34 -0.35 0.10 0.00 0.00 175.35 174.19 3bg1 n PRO 176 N 5.68 0.02 -3.34 1.78 -0.04 -1.26 -4.95 135.00 132.89 3bg1 n PRO 176 Ca -0.05 0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 63.00 3bg1 n PRO 176 Cb 0.49 -1.09 -0.09 0.00 -0.04 0.00 0.00 33.50 32.78 3bg1 n PRO 176 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3bg1 s ASN 177 N -1.06 6.21 0.61 3.54 0.01 -1.26 -5.02 114.94 117.97 3bg1 s ASN 177 Ca 0.51 -0.34 -0.10 0.00 -0.71 0.00 0.00 52.86 52.21 3bg1 s ASN 177 Cb -0.35 -2.22 -0.03 0.00 0.41 0.00 0.00 41.25 39.06 3bg1 s ASN 177 CO 0.72 -0.45 1.00 -0.31 -1.51 0.00 0.00 177.10 176.55 3bg1 s TYR 178 N 2.14 3.56 -0.75 2.20 1.51 -1.26 -4.71 117.35 120.04 3bg1 s TYR 178 Ca 0.13 1.15 0.16 0.00 -1.01 0.00 0.00 57.07 57.50 3bg1 s TYR 178 Cb -0.16 -2.71 0.69 0.00 -0.11 0.00 0.00 41.96 39.66 3bg1 s TYR 178 CO 0.13 -0.70 1.48 -0.89 -1.11 0.00 0.00 175.55 174.46 3bg1 n ILE 179 N -2.70 1.12 -3.63 2.71 5.41 -1.26 -4.91 119.36 116.10 3bg1 n ILE 179 Ca 0.05 0.34 -0.21 0.00 1.00 0.00 0.00 62.75 63.94 3bg1 n ILE 179 Cb 0.55 -1.22 0.01 0.00 -0.71 0.00 0.00 39.64 38.26 3bg1 n ILE 179 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3bg1 n LYS 180 N -1.81 -0.69 -3.79 0.38 5.02 -1.26 -4.50 118.16 111.51 3bg1 n LYS 180 Ca 0.02 0.03 -0.21 0.00 -2.02 0.00 0.00 58.31 56.13 3bg1 n LYS 180 Cb 0.14 -0.98 -0.03 0.00 -0.02 0.00 0.00 35.03 34.15 3bg1 n LYS 180 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3bg1 s ARG 181 N -5.23 2.98 -0.30 1.97 0.52 -1.26 -4.43 118.95 113.20 3bg1 s ARG 181 Ca 0.16 -1.09 -0.13 0.00 -0.52 0.00 0.00 55.73 54.15 3bg1 s ARG 181 Cb -0.09 -2.65 0.15 0.00 0.52 0.00 0.00 34.95 32.87 3bg1 s ARG 181 CO 0.50 0.19 0.82 -0.59 0.02 0.00 0.00 175.30 176.24 3bg1 s PHE 182 N -2.19 -1.01 0.30 -0.53 -0.12 -1.15 -2.79 117.98 110.49 3bg1 s PHE 182 Ca 0.40 1.76 -0.05 0.00 -0.05 0.00 0.00 56.93 58.99 3bg1 s PHE 182 Cb -0.08 0.61 0.07 0.00 -0.63 0.00 0.00 43.02 42.99 3bg1 s PHE 182 CO 0.28 -0.50 0.34 0.00 -0.05 0.00 0.00 175.22 175.29 3bg1 n ALA 183 N 5.17 -0.66 0.00 1.99 0.00 -0.94 -2.52 120.51 123.55 3bg1 n ALA 183 Ca -0.11 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.86 3bg1 n ALA 183 Cb 0.51 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.93 3bg1 n ALA 183 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3bg1 n SER 184 N -3.36 0.00 -4.89 0.00 3.41 -0.71 -3.61 113.62 104.45 3bg1 n SER 184 Ca 0.04 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.43 3bg1 n SER 184 Cb 0.16 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.17 3bg1 n SER 184 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3bg1 s GLY 185 N 0.00 1.78 0.00 5.00 0.00 -1.08 -1.80 107.32 111.22 3bg1 s GLY 185 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 43.43 3bg1 s GLY 185 CO 0.00 -0.92 0.00 0.61 0.00 0.00 0.00 173.10 172.79 3bg1 n GLY 186 N -2.61 1.86 0.00 0.20 0.00 -1.21 -2.94 105.19 100.49 3bg1 n GLY 186 Ca 0.09 -0.90 0.14 0.00 0.00 0.00 0.00 46.02 45.35 3bg1 n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bg1 n ASP 188 N -1.27 0.78 0.00 0.00 5.75 -1.26 -4.57 116.55 115.97 3bg1 n ASP 188 Ca 0.13 -0.58 0.00 0.00 -0.01 0.00 0.00 54.79 54.33 3bg1 n ASP 188 Cb 0.21 0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 3bg1 n ASP 188 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3bg1 n ASN 189 N -1.09 0.00 -4.81 -1.12 3.02 -1.19 -4.95 115.26 105.12 3bg1 n ASN 189 Ca 0.09 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.25 3bg1 n ASN 189 Cb 0.34 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.45 3bg1 n ASN 189 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3bg1 s LEU 190 N 0.00 4.48 -0.77 3.41 1.43 -1.26 -4.17 118.68 121.79 3bg1 s LEU 190 Ca 0.00 1.11 -0.06 0.00 -1.03 0.00 0.00 54.13 54.15 3bg1 s LEU 190 Cb 0.00 -2.77 0.20 0.00 0.03 0.00 0.00 46.19 43.64 3bg1 s LEU 190 CO 0.00 0.25 0.65 -0.63 0.23 0.00 0.00 176.35 176.85 3bg1 s ILE 191 N -0.83 4.53 0.04 -0.59 1.01 -0.64 -3.32 121.20 121.39 3bg1 s ILE 191 Ca 0.27 -3.06 -0.30 0.00 0.00 0.00 0.00 60.65 57.56 3bg1 s ILE 191 Cb -0.18 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 3bg1 s ILE 191 CO 0.16 -0.99 1.07 -0.54 0.00 0.00 0.00 174.94 174.64 3bg1 s LYS 192 N -0.37 4.52 0.54 2.79 1.02 -0.75 -3.38 119.74 124.12 3bg1 s LYS 192 Ca 0.20 1.57 -0.05 0.00 0.02 0.00 0.00 55.97 57.71 3bg1 s LYS 192 Cb -0.14 -3.40 -0.01 0.00 -0.52 0.00 0.00 37.83 33.76 3bg1 s LYS 192 CO -0.07 -0.10 0.84 -0.51 -0.92 0.00 0.00 175.35 174.59 3bg1 s LEU 193 N 0.88 3.42 0.06 3.17 2.01 -0.77 -1.75 118.68 125.70 3bg1 s LEU 193 Ca 0.54 0.76 -0.04 0.00 0.01 0.00 0.00 54.13 55.40 3bg1 s LEU 193 Cb -0.25 -3.65 -0.02 0.00 0.01 0.00 0.00 46.19 42.29 3bg1 s LEU 193 CO 0.29 -0.84 0.06 0.26 1.01 0.00 0.00 176.35 177.13 3bg1 s TRP 194 N -2.86 0.34 0.00 0.29 0.52 -1.05 -3.24 118.94 112.94 3bg1 s TRP 194 Ca 0.51 -0.80 0.00 0.00 0.02 0.00 0.00 56.10 55.83 3bg1 s TRP 194 Cb -0.10 -0.23 0.00 0.00 -1.15 0.00 0.00 33.47 31.98 3bg1 s TRP 194 CO 0.44 -0.42 0.00 1.17 0.02 0.00 0.00 176.95 178.16 3bg1 n LYS 195 N 0.22 0.00 -3.63 4.98 4.81 -1.14 -2.93 118.16 120.48 3bg1 n LYS 195 Ca -0.16 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.27 3bg1 n LYS 195 Cb 0.61 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.64 3bg1 n LYS 195 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 3bg1 s GLU 196 N -1.01 0.06 -0.12 1.64 -1.05 -1.26 -2.96 118.70 113.99 3bg1 s GLU 196 Ca 0.00 -0.02 0.15 0.00 -0.15 0.00 0.00 54.97 54.94 3bg1 s GLU 196 Cb 0.00 0.03 0.29 0.00 -0.44 0.00 0.00 34.13 34.01 3bg1 s GLU 196 CO 0.00 -0.03 1.15 0.39 0.95 0.00 0.00 175.26 177.72 3bg1 n GLU 197 N -0.10 1.06 -1.38 -4.83 4.71 -1.26 -4.91 120.64 113.94 3bg1 n GLU 197 Ca 0.03 -2.48 0.00 0.00 -0.01 0.00 0.00 57.16 54.70 3bg1 n GLU 197 Cb 0.58 -1.26 0.00 0.00 -1.01 0.00 0.00 31.44 29.75 3bg1 n GLU 197 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3bg1 n GLU 198 N -0.98 0.00 0.05 3.49 -0.58 -1.26 -4.99 120.64 116.37 3bg1 n GLU 198 Ca 0.14 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.95 3bg1 n GLU 198 Cb 0.70 -2.22 -0.06 0.00 -0.57 0.00 0.00 31.44 29.30 3bg1 n GLU 198 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3bg1 n ASP 199 N 1.27 0.66 0.00 1.62 -0.08 -1.26 -4.94 116.55 113.82 3bg1 n ASP 199 Ca 0.00 0.27 0.00 0.00 -1.51 0.00 0.00 54.79 53.55 3bg1 n ASP 199 Cb 0.33 0.69 0.00 0.00 2.34 0.00 0.00 41.12 44.48 3bg1 n ASP 199 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3bg1 n GLY 200 N 1.28 0.72 3.31 0.27 0.00 -1.26 -5.08 105.19 104.42 3bg1 n GLY 200 Ca -0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 3bg1 n GLY 200 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bg1 s GLN 201 N -0.58 1.27 0.12 1.61 -0.21 -1.26 -4.89 119.66 115.72 3bg1 s GLN 201 Ca 0.00 -1.63 0.09 0.00 0.02 0.00 0.00 55.36 53.84 3bg1 s GLN 201 Cb 0.00 -0.57 -0.04 0.00 1.00 0.00 0.00 33.01 33.40 3bg1 s GLN 201 CO 0.00 -0.08 -0.17 -1.58 -2.12 0.00 0.00 175.29 171.35 3bg1 s TRP 202 N -3.44 2.56 0.03 0.91 0.51 -1.26 -4.55 118.94 113.71 3bg1 s TRP 202 Ca 0.26 -0.25 0.00 0.00 -2.12 0.00 0.00 56.10 53.99 3bg1 s TRP 202 Cb 0.05 -1.34 -0.03 0.00 -0.81 0.00 0.00 33.47 31.35 3bg1 s TRP 202 CO 0.07 0.41 -0.04 0.15 -0.51 0.00 0.00 176.95 177.03 3bg1 s LYS 203 N -2.24 0.43 -1.01 4.98 1.02 -1.16 -5.02 119.74 116.76 3bg1 s LYS 203 Ca 0.19 -0.81 -0.23 0.00 0.02 0.00 0.00 55.97 55.14 3bg1 s LYS 203 Cb -0.10 0.07 0.05 0.00 -0.52 0.00 0.00 37.83 37.33 3bg1 s LYS 203 CO 0.11 -0.05 1.43 -1.83 -0.92 0.00 0.00 175.35 174.09 3bg1 s GLU 204 N -2.17 3.58 0.39 1.68 -1.05 -1.26 -2.90 118.70 116.97 3bg1 s GLU 204 Ca -0.09 -1.12 0.18 0.00 -0.15 0.00 0.00 54.97 53.79 3bg1 s GLU 204 Cb -0.05 -5.30 1.09 0.00 -0.44 0.00 0.00 34.13 29.44 3bg1 s GLU 204 CO -0.03 -2.19 1.76 1.49 0.95 0.00 0.00 175.26 177.24 3bg1 h GLU 205 N 9.76 0.39 -2.27 -4.83 4.81 -1.88 -3.45 114.58 117.12 3bg1 h GLU 205 Ca 0.18 -0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.49 3bg1 h GLU 205 Cb 1.01 -0.09 -0.16 0.00 0.63 0.00 0.00 28.75 30.15 3bg1 h GLU 205 CO 1.41 0.26 0.48 -1.14 -0.73 0.00 0.00 179.01 179.28 3bg1 s GLN 206 N -5.51 0.83 0.22 1.92 0.74 -1.25 -5.01 119.66 111.61 3bg1 s GLN 206 Ca -0.09 -0.27 0.08 0.00 0.05 0.00 0.00 55.36 55.13 3bg1 s GLN 206 Cb 0.26 0.38 -0.04 0.00 1.10 0.00 0.00 33.01 34.71 3bg1 s GLN 206 CO 0.80 -0.36 0.05 0.15 -0.55 0.00 0.00 175.29 175.38 3bg1 s LYS 207 N -3.00 2.51 -0.30 1.67 1.02 -1.26 -1.84 119.74 118.54 3bg1 s LYS 207 Ca 0.04 -1.19 -0.03 0.00 0.02 0.00 0.00 55.97 54.81 3bg1 s LYS 207 Cb -0.01 -2.35 0.10 0.00 -0.52 0.00 0.00 37.83 35.05 3bg1 s LYS 207 CO -0.08 0.41 0.13 -0.51 -0.92 0.00 0.00 175.35 174.38 3bg1 s LEU 208 N -3.41 0.73 -0.70 3.17 1.43 -1.22 -4.93 118.68 113.75 3bg1 s LEU 208 Ca 0.30 -1.38 -0.09 0.00 -1.03 0.00 0.00 54.13 51.94 3bg1 s LEU 208 Cb -0.08 -0.40 0.18 0.00 0.03 0.00 0.00 46.19 45.92 3bg1 s LEU 208 CO 0.21 -0.43 0.58 -1.83 0.23 0.00 0.00 176.35 175.11 3bg1 s GLU 209 N 1.99 3.03 0.00 1.70 -1.05 -1.26 -1.63 118.70 121.48 3bg1 s GLU 209 Ca 0.10 -2.42 0.00 0.00 -0.15 0.00 0.00 54.97 52.50 3bg1 s GLU 209 Cb -0.17 -4.07 0.00 0.00 -0.44 0.00 0.00 34.13 29.45 3bg1 s GLU 209 CO -0.34 -1.23 0.00 0.00 0.95 0.00 0.00 175.26 174.64 3bg1 n ALA 210 N 3.86 1.45 -2.39 -0.84 0.00 -1.26 -5.04 120.51 116.29 3bg1 n ALA 210 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.14 3bg1 n ALA 210 Cb 0.42 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.81 3bg1 n ALA 210 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3bg1 s HIS 211 N -1.15 3.75 -1.26 0.00 3.76 -1.26 -4.99 115.29 114.14 3bg1 s HIS 211 Ca 0.00 1.18 0.28 0.00 -0.15 0.00 0.00 55.06 56.38 3bg1 s HIS 211 Cb 0.00 -2.49 1.11 0.00 1.11 0.00 0.00 32.58 32.31 3bg1 s HIS 211 CO 0.00 0.52 1.81 -1.13 -0.85 0.00 0.00 174.74 175.09 3bg1 n SER 212 N 2.07 0.27 -2.00 1.40 3.41 -1.26 -4.84 113.62 112.67 3bg1 n SER 212 Ca -0.10 -0.09 -0.07 0.00 -0.26 0.00 0.00 58.87 58.35 3bg1 n SER 212 Cb 0.51 -0.17 -0.01 0.00 -0.26 0.00 0.00 64.21 64.28 3bg1 n SER 212 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3bg1 n ASP 213 N -1.29 -0.74 -4.38 4.04 -0.08 -1.26 -4.96 116.55 107.88 3bg1 n ASP 213 Ca 0.10 -1.94 -0.55 0.00 -1.51 0.00 0.00 54.79 50.89 3bg1 n ASP 213 Cb 0.31 1.36 -0.07 0.00 2.34 0.00 0.00 41.12 45.06 3bg1 n ASP 213 CO 0.00 0.00 0.00 0.79 0.12 0.00 0.00 177.20 178.11 3bg1 n TRP 214 N -0.29 0.33 -2.97 -0.67 7.02 -1.26 -4.38 117.44 115.22 3bg1 n TRP 214 Ca -0.00 1.01 -0.40 0.00 -1.02 0.00 0.00 57.50 57.09 3bg1 n TRP 214 Cb 0.30 -2.01 -0.04 0.00 -2.42 0.00 0.00 31.31 27.13 3bg1 n TRP 214 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 3bg1 s VAL 215 N -0.26 4.95 -0.15 -0.99 1.01 -0.52 -1.45 120.40 123.00 3bg1 s VAL 215 Ca 0.82 1.60 -0.10 0.00 0.00 0.00 0.00 61.98 64.30 3bg1 s VAL 215 Cb -1.15 -4.11 -0.06 0.00 0.00 0.00 0.00 36.38 31.06 3bg1 s VAL 215 CO 0.56 0.26 -0.07 0.03 0.00 0.00 0.00 175.10 175.87 3bg1 h ARG 216 N 6.55 0.00 -4.55 2.72 2.47 0.03 -3.38 114.38 118.23 3bg1 h ARG 216 Ca -0.42 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.07 3bg1 h ARG 216 Cb 1.20 0.00 -0.18 0.00 -1.65 0.00 0.00 29.97 29.34 3bg1 h ARG 216 CO 0.74 0.18 -0.71 0.34 0.56 0.00 0.00 179.97 181.08 3bg1 s ASP 217 N -5.89 0.92 -0.13 7.04 2.15 -1.12 -3.75 116.67 115.88 3bg1 s ASP 217 Ca -0.15 -0.78 -0.04 0.00 0.43 0.00 0.00 52.55 52.01 3bg1 s ASP 217 Cb 0.02 0.08 0.05 0.00 -0.30 0.00 0.00 42.92 42.77 3bg1 s ASP 217 CO 0.26 -0.35 0.08 -0.69 -0.17 0.00 0.00 175.17 174.29 3bg1 s VAL 218 N -2.55 -0.08 -0.19 1.11 1.01 -1.26 -2.31 120.40 116.12 3bg1 s VAL 218 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 3bg1 s VAL 218 Cb -0.02 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 35.92 3bg1 s VAL 218 CO -0.03 -0.13 -0.14 0.00 0.00 0.00 0.00 175.10 174.80 3bg1 s ALA 219 N 2.14 2.51 -1.08 5.51 0.00 0.77 -3.94 121.76 127.68 3bg1 s ALA 219 Ca 0.03 -1.20 -0.22 0.00 0.00 0.00 0.00 51.96 50.57 3bg1 s ALA 219 Cb -0.15 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.60 3bg1 s ALA 219 CO -0.07 -0.38 1.73 -0.46 0.00 0.00 0.00 175.76 176.58 3bg1 s TRP 220 N 1.36 2.29 0.19 0.00 -0.00 -1.26 -1.22 118.94 120.29 3bg1 s TRP 220 Ca 0.05 -0.38 -0.29 0.00 -0.00 0.00 0.00 56.10 55.48 3bg1 s TRP 220 Cb -0.13 -4.41 -0.17 0.00 -0.00 0.00 0.00 33.47 28.75 3bg1 s TRP 220 CO -0.09 -1.73 0.60 0.00 -0.00 0.00 0.00 176.95 175.72 3bg1 n ALA 221 N 11.13 -2.74 -1.76 5.86 0.00 -1.21 -4.62 120.51 127.17 3bg1 n ALA 221 Ca 0.40 0.45 -0.40 0.00 0.00 0.00 0.00 53.44 53.90 3bg1 n ALA 221 Cb 0.48 -1.65 -0.05 0.00 0.00 0.00 0.00 19.45 18.23 3bg1 n ALA 221 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3bg1 s PRO 222 N -0.96 4.68 -0.25 0.00 0.04 -1.26 -4.62 135.00 132.64 3bg1 s PRO 222 Ca 0.66 1.62 -0.29 0.00 0.04 0.00 0.00 61.00 63.03 3bg1 s PRO 222 Cb -0.94 -3.14 0.01 0.00 0.04 0.00 0.00 34.50 30.47 3bg1 s PRO 222 CO 0.56 0.31 1.07 -1.54 0.04 0.00 0.00 177.00 177.45 3bg1 s SER 223 N -1.11 7.04 -0.97 6.66 1.04 -1.26 -4.88 113.70 120.21 3bg1 s SER 223 Ca 0.45 1.33 -0.07 0.00 0.48 0.00 0.00 55.95 58.13 3bg1 s SER 223 Cb -0.28 -2.54 -0.11 0.00 0.10 0.00 0.00 66.02 63.19 3bg1 s SER 223 CO 0.35 -0.74 2.71 2.30 0.98 0.00 0.00 173.24 178.85 3bg1 n ILE 224 N 5.47 3.23 0.00 -1.02 -5.35 -1.26 -4.45 119.36 115.98 3bg1 n ILE 224 Ca 0.12 -1.86 0.00 0.00 -0.27 0.00 0.00 62.75 60.74 3bg1 n ILE 224 Cb 0.46 -2.28 0.00 0.00 -1.74 0.00 0.00 39.64 36.09 3bg1 n ILE 224 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3bg1 n GLY 225 N 3.38 1.20 3.74 3.28 0.00 -1.26 -4.91 105.19 110.62 3bg1 n GLY 225 Ca 0.56 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.17 3bg1 n GLY 225 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3bg1 s LEU 226 N 0.00 4.37 0.20 0.99 1.98 -1.26 -4.95 118.68 120.01 3bg1 s LEU 226 Ca 0.00 2.70 0.25 0.00 -2.89 0.00 0.00 54.13 54.19 3bg1 s LEU 226 Cb 0.00 -3.62 0.90 0.00 0.66 0.00 0.00 46.19 44.14 3bg1 s LEU 226 CO 0.00 -0.77 1.74 -0.81 -1.89 0.00 0.00 176.35 174.62 3bg1 n PRO 227 N 2.72 0.20 -0.79 0.98 -0.04 -1.26 -4.40 135.00 132.41 3bg1 n PRO 227 Ca 0.09 0.29 -0.16 0.00 -0.04 0.00 0.00 63.50 63.68 3bg1 n PRO 227 Cb 0.39 -1.79 -0.08 0.00 -0.04 0.00 0.00 33.50 31.98 3bg1 n PRO 227 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3bg1 n THR 228 N -2.14 2.46 -1.53 0.52 -1.04 -1.26 -4.93 114.28 106.37 3bg1 n THR 228 Ca 0.04 -1.34 -0.53 0.00 -2.04 0.00 0.00 64.05 60.17 3bg1 n THR 228 Cb 0.32 -2.02 -0.06 0.00 -1.82 0.00 0.00 70.33 66.76 3bg1 n THR 228 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3bg1 n SER 229 N 3.17 0.51 -4.70 8.00 3.41 -1.26 -4.80 113.62 117.95 3bg1 n SER 229 Ca 0.40 1.14 -0.30 0.00 -0.26 0.00 0.00 58.87 59.86 3bg1 n SER 229 Cb 0.46 -1.06 -0.09 0.00 -0.26 0.00 0.00 64.21 63.26 3bg1 n SER 229 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3bg1 s THR 230 N -0.10 1.68 -0.28 6.66 2.01 -1.26 -3.77 115.64 120.58 3bg1 s THR 230 Ca 0.81 -1.94 -0.21 0.00 0.31 0.00 0.00 61.69 60.66 3bg1 s THR 230 Cb -1.04 -2.62 0.09 0.00 0.01 0.00 0.00 72.50 68.93 3bg1 s THR 230 CO 0.54 0.00 0.76 -0.63 -0.69 0.00 0.00 174.62 174.60 3bg1 s ILE 231 N -2.77 0.00 0.11 1.82 1.01 -1.24 -3.29 121.20 116.83 3bg1 s ILE 231 Ca 0.24 0.00 0.07 0.00 0.00 0.00 0.00 60.65 60.96 3bg1 s ILE 231 Cb 0.05 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 3bg1 s ILE 231 CO 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 174.94 174.96 3bg1 s ALA 232 N 0.95 2.93 -0.01 9.38 0.00 -0.36 -1.32 121.76 133.33 3bg1 s ALA 232 Ca -0.04 -1.26 -0.10 0.00 0.00 0.00 0.00 51.96 50.56 3bg1 s ALA 232 Cb -0.05 -0.87 0.01 0.00 0.00 0.00 0.00 23.12 22.22 3bg1 s ALA 232 CO -0.09 0.64 0.21 -1.54 0.00 0.00 0.00 175.76 174.97 3bg1 s SER 233 N -2.21 -0.08 0.00 0.00 1.04 -0.61 -0.16 113.70 111.68 3bg1 s SER 233 Ca 0.21 -0.04 -0.00 0.00 0.48 0.00 0.00 55.95 56.60 3bg1 s SER 233 Cb -0.11 0.27 -0.00 0.00 0.10 0.00 0.00 66.02 66.28 3bg1 s SER 233 CO 0.13 -0.37 0.00 0.00 0.98 0.00 0.00 173.24 173.99 3bg1 s SER 235 N -0.18 0.21 0.44 0.00 1.04 -1.19 0.74 113.70 114.76 3bg1 s SER 235 Ca -0.02 -1.30 0.28 0.00 0.48 0.00 0.00 55.95 55.39 3bg1 s SER 235 Cb -0.01 0.45 1.36 0.00 0.10 0.00 0.00 66.02 67.92 3bg1 s SER 235 CO -0.00 -0.94 1.67 1.56 0.98 0.00 0.00 173.24 176.50 3bg1 h GLN 236 N 2.48 0.15 0.00 4.02 1.08 -1.50 0.98 115.11 122.32 3bg1 h GLN 236 Ca -0.33 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 56.86 3bg1 h GLN 236 Cb 1.25 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.65 3bg1 h GLN 236 CO 0.47 0.10 -0.00 0.38 -0.95 0.00 0.00 178.83 178.83 3bg1 h ASP 237 N 0.15 0.00 -0.41 1.46 3.04 -1.86 -3.37 116.42 115.43 3bg1 h ASP 237 Ca 0.76 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.55 3bg1 h ASP 237 Cb 2.34 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.63 3bg1 h ASP 237 CO -0.35 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.46 3bg1 n GLY 238 N -1.07 0.86 3.37 7.15 0.00 0.34 -4.76 105.19 111.08 3bg1 n GLY 238 Ca -0.03 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.13 3bg1 n GLY 238 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bg1 s ARG 239 N -3.63 1.35 -0.13 1.61 0.52 -1.26 -0.71 118.95 116.70 3bg1 s ARG 239 Ca 0.00 -1.37 0.00 0.00 -0.52 0.00 0.00 55.73 53.84 3bg1 s ARG 239 Cb 0.00 -1.67 0.02 0.00 0.52 0.00 0.00 34.95 33.83 3bg1 s ARG 239 CO 0.00 0.37 -0.12 0.08 0.02 0.00 0.00 175.30 175.66 3bg1 s VAL 240 N -1.45 1.36 0.05 3.52 1.01 -0.89 -3.20 120.40 120.78 3bg1 s VAL 240 Ca 0.15 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.67 3bg1 s VAL 240 Cb -0.09 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 3bg1 s VAL 240 CO 0.07 0.42 -0.04 -0.36 0.00 0.00 0.00 175.10 175.20 3bg1 s PHE 241 N 1.55 2.94 -0.22 5.22 2.99 -0.46 0.52 117.98 130.52 3bg1 s PHE 241 Ca 0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 56.93 56.92 3bg1 s PHE 241 Cb -0.13 -1.57 0.00 0.00 0.00 0.00 0.00 43.02 41.32 3bg1 s PHE 241 CO -0.09 0.43 -0.07 0.42 -0.00 0.00 0.00 175.22 175.91 3bg1 s ILE 242 N -1.15 3.07 -0.66 0.64 1.09 -0.94 -1.57 121.20 121.68 3bg1 s ILE 242 Ca 0.21 -0.68 -0.10 0.00 -1.10 0.00 0.00 60.65 58.99 3bg1 s ILE 242 Cb -0.11 -2.42 0.17 0.00 -1.06 0.00 0.00 42.46 39.04 3bg1 s ILE 242 CO 0.13 0.39 0.55 0.26 -0.10 0.00 0.00 174.94 176.17 3bg1 s TRP 243 N 1.42 3.53 0.24 3.97 0.52 -0.43 -2.21 118.94 125.98 3bg1 s TRP 243 Ca 0.05 -2.10 -0.30 0.00 0.02 0.00 0.00 56.10 53.77 3bg1 s TRP 243 Cb -0.15 -3.57 -0.09 0.00 -1.15 0.00 0.00 33.47 28.52 3bg1 s TRP 243 CO -0.05 -0.95 1.02 0.99 0.02 0.00 0.00 176.95 177.97 3bg1 s THR 244 N 0.53 3.85 0.39 2.01 2.01 -1.22 -3.71 115.64 119.50 3bg1 s THR 244 Ca 0.13 1.82 -0.15 0.00 0.31 0.00 0.00 61.69 63.80 3bg1 s THR 244 Cb -0.19 -4.16 0.06 0.00 0.01 0.00 0.00 72.50 68.22 3bg1 s THR 244 CO -0.04 0.41 0.79 0.00 -0.69 0.00 0.00 174.62 175.09 3bg1 s ASP 246 N -3.08 -0.09 -0.85 0.00 1.01 -1.26 -4.41 116.67 107.98 3bg1 s ASP 246 Ca 0.16 0.17 -0.26 0.00 0.71 0.00 0.00 52.55 53.33 3bg1 s ASP 246 Cb -0.05 0.16 -0.21 0.00 1.01 0.00 0.00 42.92 43.83 3bg1 s ASP 246 CO 0.12 -0.04 1.93 -0.67 0.21 0.00 0.00 175.17 176.71 3bg1 n ASP 247 N 1.43 1.96 -4.31 0.27 -0.08 -1.26 -4.41 116.55 110.15 3bg1 n ASP 247 Ca -0.09 -2.58 -0.46 0.00 -1.51 0.00 0.00 54.79 50.15 3bg1 n ASP 247 Cb 0.57 -1.39 -0.03 0.00 2.34 0.00 0.00 41.12 42.62 3bg1 n ASP 247 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3bg1 s ALA 248 N 11.54 4.14 -0.90 -1.67 0.00 -1.26 -4.42 121.76 129.18 3bg1 s ALA 248 Ca 0.72 -3.41 -0.02 0.00 0.00 0.00 0.00 51.96 49.25 3bg1 s ALA 248 Cb 0.03 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 3bg1 s ALA 248 CO 0.20 -2.25 0.76 -1.13 0.00 0.00 0.00 175.76 173.34 3bg1 n SER 249 N 3.71 -3.52 0.00 0.00 3.41 -1.26 -4.34 113.62 111.62 3bg1 n SER 249 Ca 0.15 -0.52 0.00 0.00 -0.26 0.00 0.00 58.87 58.24 3bg1 n SER 249 Cb 0.45 -4.19 0.00 0.00 -0.26 0.00 0.00 64.21 60.21 3bg1 n SER 249 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3bg1 n SER 250 N -2.76 0.00 -4.10 4.04 7.64 -1.26 -4.94 113.62 112.24 3bg1 n SER 250 Ca -0.16 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.63 3bg1 n SER 250 Cb 0.62 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.72 3bg1 n SER 250 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3bg1 s ASN 251 N -4.00 0.26 -0.17 6.43 4.22 -1.26 -4.27 114.94 116.14 3bg1 s ASN 251 Ca 0.00 -1.12 -0.01 0.00 -2.14 0.00 0.00 52.86 49.59 3bg1 s ASN 251 Cb 0.00 0.32 0.05 0.00 1.28 0.00 0.00 41.25 42.90 3bg1 s ASN 251 CO 0.00 -0.76 -0.01 -0.89 -2.04 0.00 0.00 177.10 173.40 3bg1 s THR 252 N -4.02 0.85 -0.47 0.54 2.01 -1.26 -5.00 115.64 108.28 3bg1 s THR 252 Ca 0.22 -0.58 -0.15 0.00 0.31 0.00 0.00 61.69 61.48 3bg1 s THR 252 Cb 0.07 -1.16 0.08 0.00 0.01 0.00 0.00 72.50 71.50 3bg1 s THR 252 CO 0.01 -0.01 0.40 0.26 -0.69 0.00 0.00 174.62 174.58 3bg1 s TRP 253 N 1.73 3.25 -0.50 4.92 0.52 -1.26 -4.39 118.94 123.21 3bg1 s TRP 253 Ca -0.00 -1.00 -0.18 0.00 0.02 0.00 0.00 56.10 54.94 3bg1 s TRP 253 Cb -0.16 -3.21 0.07 0.00 -1.15 0.00 0.00 33.47 29.02 3bg1 s TRP 253 CO -0.07 -0.82 0.54 -1.54 0.02 0.00 0.00 176.95 175.08 3bg1 s SER 254 N 2.65 6.19 0.59 2.95 1.04 -1.03 -4.98 113.70 121.11 3bg1 s SER 254 Ca 0.04 -1.11 -0.18 0.00 0.48 0.00 0.00 55.95 55.18 3bg1 s SER 254 Cb -0.25 -2.25 -0.04 0.00 0.10 0.00 0.00 66.02 63.59 3bg1 s SER 254 CO 0.06 -0.81 1.15 -2.16 0.98 0.00 0.00 173.24 172.46 3bg1 s PRO 255 N 2.24 3.10 -0.01 4.02 0.04 -1.26 -3.42 135.00 139.71 3bg1 s PRO 255 Ca 0.11 1.63 -0.00 0.00 0.04 0.00 0.00 61.00 62.77 3bg1 s PRO 255 Cb -0.22 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.37 3bg1 s PRO 255 CO 0.09 -1.06 0.03 0.21 0.04 0.00 0.00 177.00 176.31 3bg1 s LYS 256 N -3.48 -0.01 -0.15 4.56 2.20 -0.94 -4.99 119.74 116.93 3bg1 s LYS 256 Ca 0.73 0.11 -0.29 0.00 -0.36 0.00 0.00 55.97 56.15 3bg1 s LYS 256 Cb -0.25 -0.11 -0.00 0.00 -1.51 0.00 0.00 37.83 35.95 3bg1 s LYS 256 CO 0.32 -0.08 1.03 -1.17 -0.36 0.00 0.00 175.35 175.09 3bg1 s LEU 257 N 0.52 4.19 -0.10 5.43 2.96 -1.26 -2.21 118.68 128.21 3bg1 s LEU 257 Ca -0.04 1.49 -0.11 0.00 -0.22 0.00 0.00 54.13 55.24 3bg1 s LEU 257 Cb -0.06 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 42.98 3bg1 s LEU 257 CO -0.02 -0.55 0.36 0.25 -1.32 0.00 0.00 176.35 175.08 3bg1 h LEU 258 N 8.61 -0.05 -7.08 -0.68 5.85 -0.30 -3.48 115.31 118.18 3bg1 h LEU 258 Ca -0.26 -0.32 0.30 0.00 0.84 0.00 0.00 57.88 58.44 3bg1 h LEU 258 Cb 1.11 0.01 -0.16 0.00 0.37 0.00 0.00 40.66 41.99 3bg1 h LEU 258 CO 0.91 0.59 0.85 -2.28 -0.34 0.00 0.00 178.44 178.16 3bg1 s HIS 259 N -2.07 -0.08 -0.05 1.25 5.04 -1.24 -4.94 115.29 113.21 3bg1 s HIS 259 Ca -0.07 0.02 0.02 0.00 -1.54 0.00 0.00 55.06 53.48 3bg1 s HIS 259 Cb -0.01 0.52 0.01 0.00 0.04 0.00 0.00 32.58 33.15 3bg1 s HIS 259 CO 0.26 -0.20 -0.08 0.21 -2.34 0.00 0.00 174.74 172.59 3bg1 s LYS 260 N -2.35 1.18 0.17 2.88 2.20 -1.25 -2.10 119.74 120.46 3bg1 s LYS 260 Ca 0.12 -0.26 0.07 0.00 -0.36 0.00 0.00 55.97 55.54 3bg1 s LYS 260 Cb 0.02 -1.05 -0.04 0.00 -1.51 0.00 0.00 37.83 35.24 3bg1 s LYS 260 CO -0.04 0.00 -0.02 -0.06 -0.36 0.00 0.00 175.35 174.87 3bg1 s PHE 261 N 0.67 2.82 -1.19 4.03 0.40 0.11 -5.00 117.98 119.82 3bg1 s PHE 261 Ca -0.11 -0.15 0.13 0.00 -0.60 0.00 0.00 56.93 56.20 3bg1 s PHE 261 Cb -0.14 -1.37 0.61 0.00 0.51 0.00 0.00 43.02 42.63 3bg1 s PHE 261 CO 0.02 0.51 1.39 0.27 0.70 0.00 0.00 175.22 178.10 3bg1 n ASN 262 N -0.05 0.00 -4.41 1.36 6.94 -1.26 -4.59 115.26 113.25 3bg1 n ASN 262 Ca -0.10 0.32 -0.24 0.00 -0.02 0.00 0.00 54.58 54.54 3bg1 n ASN 262 Cb 0.55 -0.41 -0.11 0.00 -2.36 0.00 0.00 39.78 37.45 3bg1 n ASN 262 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3bg1 s ASP 263 N -2.81 3.23 0.69 0.53 -1.08 -1.26 -5.01 116.67 110.96 3bg1 s ASP 263 Ca 0.09 -0.92 -0.17 0.00 -0.52 0.00 0.00 52.55 51.04 3bg1 s ASP 263 Cb 0.09 -0.23 -0.04 0.00 -1.46 0.00 0.00 42.92 41.27 3bg1 s ASP 263 CO 0.22 0.04 0.62 0.52 0.52 0.00 0.00 175.17 177.09 3bg1 n VAL 264 N -0.00 2.13 -4.53 1.11 0.31 -1.26 -4.36 118.33 111.73 3bg1 n VAL 264 Ca -0.10 -0.42 -0.33 0.00 -0.01 0.00 0.00 64.34 63.48 3bg1 n VAL 264 Cb 0.58 -0.81 -0.15 0.00 -0.91 0.00 0.00 33.84 32.55 3bg1 n VAL 264 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3bg1 s VAL 265 N -1.84 2.95 -0.11 2.52 1.01 -1.25 0.41 120.40 124.09 3bg1 s VAL 265 Ca 0.68 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 62.01 3bg1 s VAL 265 Cb -0.37 -2.26 -0.24 0.00 0.00 0.00 0.00 36.38 33.51 3bg1 s VAL 265 CO 0.56 0.50 0.39 0.79 0.00 0.00 0.00 175.10 177.34 3bg1 n TRP 266 N 3.94 0.96 -3.87 5.22 7.02 0.14 -4.23 117.44 126.63 3bg1 n TRP 266 Ca -0.19 0.26 -0.09 0.00 -1.02 0.00 0.00 57.50 56.46 3bg1 n TRP 266 Cb 0.52 -1.14 -0.08 0.00 -2.42 0.00 0.00 31.31 28.19 3bg1 n TRP 266 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 3bg1 s HIS 267 N -2.56 0.15 -0.09 -5.99 3.76 0.11 -4.44 115.29 106.22 3bg1 s HIS 267 Ca -0.17 -0.51 -0.04 0.00 -0.15 0.00 0.00 55.06 54.19 3bg1 s HIS 267 Cb 0.07 -0.08 0.05 0.00 1.11 0.00 0.00 32.58 33.73 3bg1 s HIS 267 CO 0.78 -0.48 0.21 0.08 -0.85 0.00 0.00 174.74 174.47 3bg1 s VAL 268 N -3.36 -0.10 0.03 -0.90 1.01 -1.26 -1.01 120.40 114.81 3bg1 s VAL 268 Ca 0.01 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.19 3bg1 s VAL 268 Cb 0.03 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 36.05 3bg1 s VAL 268 CO -0.08 0.08 -0.05 -0.55 0.00 0.00 0.00 175.10 174.50 3bg1 s SER 269 N 1.43 0.51 -0.17 3.32 0.15 -0.90 -4.59 113.70 113.45 3bg1 s SER 269 Ca -0.07 -0.59 -0.14 0.00 0.70 0.00 0.00 55.95 55.85 3bg1 s SER 269 Cb -0.11 0.09 -0.05 0.00 -1.71 0.00 0.00 66.02 64.24 3bg1 s SER 269 CO -0.07 -0.31 0.28 0.26 1.20 0.00 0.00 173.24 174.60 3bg1 s TRP 270 N -1.78 3.45 0.19 3.44 0.52 -1.26 -0.50 118.94 123.01 3bg1 s TRP 270 Ca -0.10 0.57 -0.26 0.00 0.02 0.00 0.00 56.10 56.32 3bg1 s TRP 270 Cb -0.08 -2.34 -0.08 0.00 -1.15 0.00 0.00 33.47 29.83 3bg1 s TRP 270 CO -0.02 0.23 0.82 -1.54 0.02 0.00 0.00 176.95 176.47 3bg1 s SER 271 N 0.50 7.45 0.24 2.95 1.04 0.12 -4.92 113.70 121.08 3bg1 s SER 271 Ca 0.16 1.73 -0.07 0.00 0.48 0.00 0.00 55.95 58.25 3bg1 s SER 271 Cb -0.13 -2.53 0.25 0.00 0.10 0.00 0.00 66.02 63.71 3bg1 s SER 271 CO 0.04 0.18 1.90 0.40 0.98 0.00 0.00 173.24 176.74 3bg1 h ILE 272 N 3.24 1.19 0.00 -1.02 2.04 -1.97 -2.56 117.51 118.43 3bg1 h ILE 272 Ca -0.46 -0.41 -0.18 0.00 1.00 0.00 0.00 64.86 64.80 3bg1 h ILE 272 Cb 1.20 -0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 3bg1 h ILE 272 CO 0.66 0.22 -1.35 0.41 0.00 0.00 0.00 178.15 178.09 3bg1 n THR 273 N -4.48 1.50 0.13 -0.27 -1.04 -1.26 -4.60 114.28 104.26 3bg1 n THR 273 Ca 0.11 -0.02 0.03 0.00 -2.04 0.00 0.00 64.05 62.13 3bg1 n THR 273 Cb 0.05 -2.16 0.02 0.00 -1.82 0.00 0.00 70.33 66.43 3bg1 n THR 273 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3bg1 h ALA 274 N -0.87 0.69 -1.36 2.41 0.00 -2.01 -3.48 119.26 114.65 3bg1 h ALA 274 Ca -0.28 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 3bg1 h ALA 274 Cb 1.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3bg1 h ALA 274 CO -0.17 0.60 -0.02 0.09 0.00 0.00 0.00 179.25 179.75 3bg1 n ASN 275 N -3.16 -2.08 -4.73 0.00 3.02 -0.97 -4.86 115.26 102.48 3bg1 n ASN 275 Ca 0.01 -0.01 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 3bg1 n ASN 275 Cb 0.73 -0.61 -0.04 0.00 -0.61 0.00 0.00 39.78 39.25 3bg1 n ASN 275 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3bg1 s ILE 276 N -3.01 4.69 -0.19 2.41 1.01 -1.22 -4.67 121.20 120.22 3bg1 s ILE 276 Ca 0.01 1.83 -0.13 0.00 0.00 0.00 0.00 60.65 62.36 3bg1 s ILE 276 Cb -0.00 -4.21 -0.05 0.00 0.01 0.00 0.00 42.46 38.21 3bg1 s ILE 276 CO 0.02 0.31 0.27 -0.22 0.00 0.00 0.00 174.94 175.32 3bg1 s LEU 277 N 0.17 4.19 -0.40 2.97 2.96 0.96 0.14 118.68 129.68 3bg1 s LEU 277 Ca 0.43 0.40 -0.18 0.00 -0.22 0.00 0.00 54.13 54.56 3bg1 s LEU 277 Cb -0.21 -2.32 0.01 0.00 0.50 0.00 0.00 46.19 44.17 3bg1 s LEU 277 CO 0.26 0.06 0.50 0.00 -1.32 0.00 0.00 176.35 175.84 3bg1 s ALA 278 N 0.76 3.43 -0.48 5.97 0.00 0.35 -0.30 121.76 131.49 3bg1 s ALA 278 Ca 0.14 -1.29 -0.15 0.00 0.00 0.00 0.00 51.96 50.66 3bg1 s ALA 278 Cb -0.13 -3.08 0.08 0.00 0.00 0.00 0.00 23.12 19.99 3bg1 s ALA 278 CO 0.04 -1.49 0.40 0.08 0.00 0.00 0.00 175.76 174.79 3bg1 s VAL 279 N 2.34 5.17 -0.33 0.00 1.01 0.28 -2.12 120.40 126.76 3bg1 s VAL 279 Ca 0.16 -1.13 -0.14 0.00 0.00 0.00 0.00 61.98 60.87 3bg1 s VAL 279 Cb -0.16 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 3bg1 s VAL 279 CO 0.15 -0.61 0.30 -0.94 0.00 0.00 0.00 175.10 174.00 3bg1 s SER 280 N 2.68 6.13 0.00 3.32 1.04 -0.18 -1.00 113.70 125.68 3bg1 s SER 280 Ca 0.04 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.26 3bg1 s SER 280 Cb -0.25 -2.17 0.00 0.00 0.10 0.00 0.00 66.02 63.70 3bg1 s SER 280 CO 0.06 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.64 3bg1 n GLY 281 N 4.99 2.92 0.00 7.32 0.00 -1.19 -0.68 105.19 118.55 3bg1 n GLY 281 Ca -0.11 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.73 3bg1 n GLY 281 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bg1 n GLY 282 N -1.29 0.79 2.48 -0.02 0.00 0.17 -4.53 105.19 102.79 3bg1 n GLY 282 Ca 0.00 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 3bg1 n GLY 282 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3bg1 n ASP 283 N 1.30 5.71 0.00 1.61 5.75 -1.26 -4.76 116.55 124.90 3bg1 n ASP 283 Ca 0.00 -3.76 0.00 0.00 -0.01 0.00 0.00 54.79 51.02 3bg1 n ASP 283 Cb 0.00 -0.63 0.00 0.00 -1.03 0.00 0.00 41.12 39.46 3bg1 n ASP 283 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3bg1 n ASN 284 N -0.58 -1.78 -4.94 -1.12 4.13 -1.26 -4.93 115.26 104.78 3bg1 n ASN 284 Ca 0.46 0.00 -0.28 0.00 1.68 0.00 0.00 54.58 56.44 3bg1 n ASN 284 Cb 0.62 -2.45 -0.03 0.00 -1.54 0.00 0.00 39.78 36.37 3bg1 n ASN 284 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3bg1 s LYS 285 N -1.14 3.44 -0.03 3.52 1.02 -1.26 -4.99 119.74 120.30 3bg1 s LYS 285 Ca 0.00 -0.55 0.06 0.00 0.02 0.00 0.00 55.97 55.50 3bg1 s LYS 285 Cb 0.00 -2.99 -0.01 0.00 -0.52 0.00 0.00 37.83 34.31 3bg1 s LYS 285 CO 0.00 0.55 -0.20 0.08 -0.92 0.00 0.00 175.35 174.85 3bg1 s VAL 286 N -1.67 1.63 0.22 3.17 1.01 -1.26 -3.15 120.40 120.35 3bg1 s VAL 286 Ca 0.35 -0.87 0.11 0.00 0.00 0.00 0.00 61.98 61.57 3bg1 s VAL 286 Cb -0.12 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 3bg1 s VAL 286 CO 0.28 0.46 -0.21 0.42 0.00 0.00 0.00 175.10 176.05 3bg1 s THR 287 N -0.34 2.47 0.00 3.92 -4.23 -0.17 -4.94 115.64 112.35 3bg1 s THR 287 Ca 0.04 -2.11 0.06 0.00 -1.18 0.00 0.00 61.69 58.51 3bg1 s THR 287 Cb -0.09 -2.22 -0.03 0.00 1.34 0.00 0.00 72.50 71.50 3bg1 s THR 287 CO 0.00 -0.20 -0.19 -0.76 -0.54 0.00 0.00 174.62 172.93 3bg1 s LEU 288 N -2.93 2.50 -0.00 4.79 1.43 -1.26 0.99 118.68 124.20 3bg1 s LEU 288 Ca 0.24 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 3bg1 s LEU 288 Cb -0.07 -1.48 -0.00 0.00 0.03 0.00 0.00 46.19 44.67 3bg1 s LEU 288 CO 0.12 0.29 -0.04 0.26 0.23 0.00 0.00 176.35 177.21 3bg1 s TRP 289 N -0.80 0.35 -0.04 0.29 0.52 0.59 0.22 118.94 120.07 3bg1 s TRP 289 Ca 0.13 -0.06 0.03 0.00 0.02 0.00 0.00 56.10 56.21 3bg1 s TRP 289 Cb -0.10 -0.23 0.00 0.00 -1.15 0.00 0.00 33.47 31.98 3bg1 s TRP 289 CO 0.02 -0.01 -0.13 0.21 0.02 0.00 0.00 176.95 177.06 3bg1 s LYS 290 N -0.04 1.39 -0.12 4.98 2.20 -1.23 -0.03 119.74 126.89 3bg1 s LYS 290 Ca 0.01 -0.45 -0.29 0.00 -0.36 0.00 0.00 55.97 54.88 3bg1 s LYS 290 Cb -0.02 -1.23 -0.02 0.00 -1.51 0.00 0.00 37.83 35.05 3bg1 s LYS 290 CO -0.00 0.16 1.23 -2.00 -0.36 0.00 0.00 175.35 174.38 3bg1 s GLU 291 N 0.17 4.28 0.90 4.03 2.12 -1.26 -3.42 118.70 125.51 3bg1 s GLU 291 Ca -0.04 1.65 -0.11 0.00 0.36 0.00 0.00 54.97 56.82 3bg1 s GLU 291 Cb -0.10 -3.68 0.13 0.00 0.26 0.00 0.00 34.13 30.74 3bg1 s GLU 291 CO 0.01 -0.60 1.09 -1.54 -0.54 0.00 0.00 175.26 173.69 3bg1 s SER 292 N 1.74 3.46 0.00 -1.70 1.04 -1.19 -4.84 113.70 112.20 3bg1 s SER 292 Ca 0.55 1.50 0.01 0.00 0.48 0.00 0.00 55.95 58.48 3bg1 s SER 292 Cb -0.23 -2.18 0.05 0.00 0.10 0.00 0.00 66.02 63.77 3bg1 s SER 292 CO 0.17 -2.65 0.79 0.52 0.98 0.00 0.00 173.24 173.06 3bg1 n VAL 293 N -3.89 0.96 0.24 5.02 0.31 -1.26 -0.50 118.33 119.20 3bg1 n VAL 293 Ca 0.07 0.24 0.11 0.00 -0.01 0.00 0.00 64.34 64.75 3bg1 n VAL 293 Cb 0.55 -1.22 -0.15 0.00 -0.91 0.00 0.00 33.84 32.11 3bg1 n VAL 293 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3bg1 n ASP 294 N -1.25 0.26 0.00 4.52 -0.08 -1.26 -5.01 116.55 113.73 3bg1 n ASP 294 Ca 0.01 -0.23 0.00 0.00 -1.51 0.00 0.00 54.79 53.06 3bg1 n ASP 294 Cb 0.01 1.71 0.00 0.00 2.34 0.00 0.00 41.12 45.18 3bg1 n ASP 294 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3bg1 n GLY 295 N 1.32 2.39 3.88 0.27 0.00 0.35 -5.07 105.19 108.33 3bg1 n GLY 295 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 3bg1 n GLY 295 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bg1 s GLN 296 N -0.11 3.43 0.71 1.61 -0.21 -1.26 -4.73 119.66 119.10 3bg1 s GLN 296 Ca 0.00 -0.19 -0.11 0.00 0.02 0.00 0.00 55.36 55.08 3bg1 s GLN 296 Cb 0.00 -3.16 0.02 0.00 1.00 0.00 0.00 33.01 30.87 3bg1 s GLN 296 CO 0.00 0.75 1.07 -1.58 -2.12 0.00 0.00 175.29 173.41 3bg1 s TRP 297 N -1.10 3.09 -0.14 0.91 0.52 -1.26 -3.19 118.94 117.76 3bg1 s TRP 297 Ca 0.18 1.36 -0.21 0.00 0.02 0.00 0.00 56.10 57.45 3bg1 s TRP 297 Cb -0.12 -2.92 0.05 0.00 -1.15 0.00 0.00 33.47 29.33 3bg1 s TRP 297 CO 0.08 -1.31 0.54 0.08 0.02 0.00 0.00 176.95 176.36 3bg1 s VAL 298 N -3.08 0.01 0.22 4.03 1.01 -1.22 -4.92 120.40 116.45 3bg1 s VAL 298 Ca 0.58 -0.08 -0.31 0.00 0.00 0.00 0.00 61.98 62.18 3bg1 s VAL 298 Cb -0.14 -0.79 -0.11 0.00 0.00 0.00 0.00 36.38 35.35 3bg1 s VAL 298 CO 0.55 -0.04 1.57 0.00 0.00 0.00 0.00 175.10 177.18 3bg1 n ILE 300 N 3.15 0.72 -0.31 0.00 5.41 0.13 -4.64 119.36 123.83 3bg1 n ILE 300 Ca 0.11 -0.44 0.17 0.00 1.00 0.00 0.00 62.75 63.60 3bg1 n ILE 300 Cb 0.38 -0.74 0.36 0.00 -0.71 0.00 0.00 39.64 38.93 3bg1 n ILE 300 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 3bg1 h SER 301 N 0.00 0.10 0.00 4.38 4.64 -1.83 -3.46 113.55 117.38 3bg1 h SER 301 Ca -0.29 0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3bg1 h SER 301 Cb 1.64 0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.98 3bg1 h SER 301 CO 0.01 -0.19 0.00 -0.67 -0.87 0.00 0.00 176.83 175.11