#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gbv s THR 2 N 0.00 2.34 0.06 0.00 2.01 -0.09 -4.98 115.64 114.98 2gbv s THR 2 Ca 0.00 -1.32 0.04 0.00 0.31 0.00 0.00 61.69 60.72 2gbv s THR 2 Cb 0.00 -1.93 -0.03 0.00 0.01 0.00 0.00 72.50 70.55 2gbv s THR 2 CO 0.00 0.36 -0.12 -0.54 -0.69 0.00 0.00 174.62 173.63 2gbv s LYS 3 N -1.28 0.72 0.23 4.92 1.02 -1.26 -0.97 119.74 123.12 2gbv s LYS 3 Ca 0.13 -0.90 -0.01 0.00 0.02 0.00 0.00 55.97 55.21 2gbv s LYS 3 Cb -0.10 -0.64 -0.03 0.00 -0.52 0.00 0.00 37.83 36.54 2gbv s LYS 3 CO 0.03 0.13 0.21 0.00 -0.92 0.00 0.00 175.35 174.81 2gbv s ALA 4 N -1.35 1.09 -0.11 5.17 0.00 -0.38 -1.36 121.76 124.82 2gbv s ALA 4 Ca -0.04 -1.65 -0.21 0.00 0.00 0.00 0.00 51.96 50.06 2gbv s ALA 4 Cb -0.10 1.35 0.05 0.00 0.00 0.00 0.00 23.12 24.43 2gbv s ALA 4 CO 0.02 -0.64 0.51 0.54 0.00 0.00 0.00 175.76 176.18 2gbv s VAL 5 N -3.97 0.02 -0.06 0.00 0.11 -0.06 -0.94 120.40 115.49 2gbv s VAL 5 Ca 0.37 -0.13 0.02 0.00 -2.93 0.00 0.00 61.98 59.30 2gbv s VAL 5 Cb 0.05 -0.77 0.02 0.00 -1.53 0.00 0.00 36.38 34.15 2gbv s VAL 5 CO 0.15 -0.07 -0.10 0.00 -3.33 0.00 0.00 175.10 171.74 2gbv s ALA 6 N -0.55 1.14 -0.37 1.54 0.00 -0.10 -0.77 121.76 122.64 2gbv s ALA 6 Ca -0.07 -0.35 -0.16 0.00 0.00 0.00 0.00 51.96 51.39 2gbv s ALA 6 Cb -0.03 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.52 2gbv s ALA 6 CO 0.04 0.04 0.41 0.08 0.00 0.00 0.00 175.76 176.32 2gbv s VAL 7 N 0.82 5.12 -0.19 0.00 1.01 -1.26 -1.25 120.40 124.64 2gbv s VAL 7 Ca -0.12 -0.07 -0.21 0.00 0.00 0.00 0.00 61.98 61.58 2gbv s VAL 7 Cb -0.15 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 2gbv s VAL 7 CO 0.02 -0.23 0.63 -0.76 0.00 0.00 0.00 175.10 174.76 2gbv s LEU 8 N 2.10 4.15 0.04 3.92 1.43 0.46 -3.81 118.68 126.97 2gbv s LEU 8 Ca 0.13 0.85 -0.00 0.00 -1.03 0.00 0.00 54.13 54.07 2gbv s LEU 8 Cb -0.17 -2.90 -0.03 0.00 0.03 0.00 0.00 46.19 43.12 2gbv s LEU 8 CO 0.13 -0.27 -0.03 -0.54 0.23 0.00 0.00 176.35 175.86 2gbv s LYS 9 N 1.87 0.50 0.00 1.70 1.02 -0.66 -2.09 119.74 122.08 2gbv s LYS 9 Ca 0.29 -0.96 0.00 0.00 0.02 0.00 0.00 55.97 55.32 2gbv s LYS 9 Cb -0.16 0.13 0.00 0.00 -0.52 0.00 0.00 37.83 37.28 2gbv s LYS 9 CO 0.11 -0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.87 2gbv n GLY 10 N 0.76 3.21 0.16 -3.33 0.00 -1.25 -0.96 105.19 103.77 2gbv n GLY 10 Ca -0.18 -0.96 0.13 0.00 0.00 0.00 0.00 46.02 45.01 2gbv n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gbv n ASP 11 N -0.35 0.84 0.00 1.61 8.00 -1.26 -4.92 116.55 120.46 2gbv n ASP 11 Ca 0.00 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.83 2gbv n ASP 11 Cb 0.00 0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 2gbv n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gbv n GLY 12 N 1.39 5.87 0.00 0.44 0.00 -1.26 -5.03 105.19 106.60 2gbv n GLY 12 Ca 0.10 -2.02 0.14 0.00 0.00 0.00 0.00 46.02 44.24 2gbv n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2gbv n PRO 13 N 0.00 0.26 -2.55 1.61 -0.04 -1.26 -4.86 135.00 128.17 2gbv n PRO 13 Ca 0.00 0.02 -0.42 0.00 -0.04 0.00 0.00 63.50 63.06 2gbv n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 2gbv n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2gbv s VAL 14 N -2.72 4.44 -0.01 0.52 1.01 -1.26 -4.20 120.40 118.18 2gbv s VAL 14 Ca 0.22 1.74 -0.18 0.00 0.00 0.00 0.00 61.98 63.76 2gbv s VAL 14 Cb 0.19 -4.12 0.03 0.00 0.00 0.00 0.00 36.38 32.48 2gbv s VAL 14 CO 0.46 0.04 0.40 0.00 0.00 0.00 0.00 175.10 175.99 2gbv s GLN 15 N 1.85 0.79 0.09 2.72 -2.07 -0.93 -3.86 119.66 118.25 2gbv s GLN 15 Ca 0.54 -0.15 -0.26 0.00 -1.82 0.00 0.00 55.36 53.67 2gbv s GLN 15 Cb -0.23 0.36 0.09 0.00 -1.09 0.00 0.00 33.01 32.13 2gbv s GLN 15 CO 0.23 -0.24 1.10 0.20 -1.32 0.00 0.00 175.29 175.26 2gbv s GLY 16 N -1.44 -0.23 -0.08 2.60 0.00 -0.89 -0.44 107.32 106.84 2gbv s GLY 16 Ca -0.11 0.22 0.01 0.00 0.00 0.00 0.00 44.72 44.84 2gbv s GLY 16 CO 0.04 0.79 -0.08 -0.42 0.00 0.00 0.00 173.10 173.43 2gbv s ILE 17 N -2.73 0.94 -0.14 0.90 1.01 -0.83 -0.40 121.20 119.93 2gbv s ILE 17 Ca 0.16 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.53 2gbv s ILE 17 Cb 0.01 -0.93 0.01 0.00 0.01 0.00 0.00 42.46 41.55 2gbv s ILE 17 CO 0.01 0.33 -0.19 -0.63 0.00 0.00 0.00 174.94 174.46 2gbv s ILE 18 N 1.29 2.30 0.08 2.92 -1.09 -0.38 -2.42 121.20 123.90 2gbv s ILE 18 Ca -0.04 -0.90 -0.03 0.00 -2.23 0.00 0.00 60.65 57.45 2gbv s ILE 18 Cb -0.14 -1.94 -0.05 0.00 -1.58 0.00 0.00 42.46 38.76 2gbv s ILE 18 CO -0.03 0.54 0.28 0.20 -1.23 0.00 0.00 174.94 174.70 2gbv s ASN 19 N 0.80 6.44 -0.03 3.58 0.01 0.17 -0.93 114.94 124.98 2gbv s ASN 19 Ca -0.07 0.46 0.04 0.00 -0.71 0.00 0.00 52.86 52.58 2gbv s ASN 19 Cb -0.15 -2.04 -0.01 0.00 0.41 0.00 0.00 41.25 39.46 2gbv s ASN 19 CO -0.01 0.15 -0.16 -0.36 -1.51 0.00 0.00 177.10 175.21 2gbv s PHE 20 N -1.51 1.49 -0.05 2.20 0.40 -0.12 -1.35 117.98 119.04 2gbv s PHE 20 Ca 0.35 -0.36 -0.02 0.00 -0.60 0.00 0.00 56.93 56.30 2gbv s PHE 20 Cb -0.13 -0.99 0.03 0.00 0.51 0.00 0.00 43.02 42.44 2gbv s PHE 20 CO 0.24 -0.10 0.11 -2.00 0.70 0.00 0.00 175.22 174.17 2gbv s GLU 21 N -0.11 0.07 -0.25 0.44 2.12 -0.05 -1.25 118.70 119.67 2gbv s GLU 21 Ca 0.00 0.27 -0.01 0.00 0.36 0.00 0.00 54.97 55.59 2gbv s GLU 21 Cb -0.09 -0.13 0.08 0.00 0.26 0.00 0.00 34.13 34.25 2gbv s GLU 21 CO 0.01 -0.12 0.04 -1.14 -0.54 0.00 0.00 175.26 173.50 2gbv s GLN 22 N 0.83 0.95 0.22 4.30 0.74 -0.14 -0.24 119.66 126.32 2gbv s GLN 22 Ca -0.06 -0.85 -0.05 0.00 0.05 0.00 0.00 55.36 54.45 2gbv s GLN 22 Cb -0.09 -2.23 0.22 0.00 1.10 0.00 0.00 33.01 32.01 2gbv s GLN 22 CO -0.04 -0.77 1.69 0.87 -0.55 0.00 0.00 175.29 176.50 2gbv h LYS 23 N 8.09 0.87 -5.74 1.67 1.79 -1.83 -0.21 116.57 121.21 2gbv h LYS 23 Ca -0.15 -0.28 -0.54 0.00 -2.18 0.00 0.00 60.65 57.50 2gbv h LYS 23 Cb 1.07 -0.08 -0.28 0.00 -1.58 0.00 0.00 32.23 31.36 2gbv h LYS 23 CO 0.41 0.91 -0.83 -1.21 -1.08 0.00 0.00 179.45 177.65 2gbv s GLU 24 N -4.88 1.36 0.57 3.15 0.41 -1.26 -3.59 118.70 114.45 2gbv s GLU 24 Ca -0.10 -0.72 0.27 0.00 -0.41 0.00 0.00 54.97 54.00 2gbv s GLU 24 Cb 0.14 -1.36 1.66 0.00 -1.78 0.00 0.00 34.13 32.79 2gbv s GLU 24 CO 0.83 0.36 2.21 0.66 -0.49 0.00 0.00 175.26 178.84 2gbv h SER 25 N 5.41 0.00 -0.40 -0.19 4.64 -1.97 -0.13 113.55 120.90 2gbv h SER 25 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2gbv h SER 25 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2gbv h SER 25 CO 0.47 0.02 0.00 -0.46 -0.87 0.00 0.00 176.83 175.99 2gbv n ASN 26 N -3.96 4.41 -4.87 4.97 6.94 -1.26 -4.88 115.26 116.61 2gbv n ASN 26 Ca -0.03 -2.83 -0.26 0.00 -0.02 0.00 0.00 54.58 51.44 2gbv n ASN 26 Cb 0.11 -0.56 -0.02 0.00 -2.36 0.00 0.00 39.78 36.95 2gbv n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 2gbv s GLY 27 N -1.41 2.42 0.71 4.83 0.00 -0.06 -5.12 107.32 108.69 2gbv s GLY 27 Ca 0.45 -1.29 -0.14 0.00 0.00 0.00 0.00 44.72 43.75 2gbv s GLY 27 CO 0.13 -1.95 1.12 2.56 0.00 0.00 0.00 173.10 174.96 2gbv s PRO 28 N -4.19 2.48 -0.23 2.90 0.04 -1.26 -4.83 135.00 129.91 2gbv s PRO 28 Ca 0.33 1.39 -0.09 0.00 0.04 0.00 0.00 61.00 62.67 2gbv s PRO 28 Cb -0.01 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 2gbv s PRO 28 CO 0.20 -1.50 0.10 0.08 0.04 0.00 0.00 177.00 175.92 2gbv s VAL 29 N -2.46 4.87 -0.08 -0.36 1.01 0.18 -4.28 120.40 119.28 2gbv s VAL 29 Ca 0.66 0.01 -0.24 0.00 0.00 0.00 0.00 61.98 62.41 2gbv s VAL 29 Cb -0.21 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 2gbv s VAL 29 CO 0.47 0.37 0.73 -0.54 0.00 0.00 0.00 175.10 176.13 2gbv s LYS 30 N 1.05 4.41 -0.15 2.72 1.02 0.67 -1.16 119.74 128.31 2gbv s LYS 30 Ca 0.05 0.92 0.02 0.00 0.02 0.00 0.00 55.97 56.99 2gbv s LYS 30 Cb -0.14 -3.47 0.01 0.00 -0.52 0.00 0.00 37.83 33.71 2gbv s LYS 30 CO 0.04 -0.01 -0.21 0.08 -0.92 0.00 0.00 175.35 174.32 2gbv s VAL 31 N 1.05 2.04 0.05 3.17 1.01 0.19 -0.87 120.40 127.05 2gbv s VAL 31 Ca 0.38 -0.96 -0.24 0.00 0.00 0.00 0.00 61.98 61.16 2gbv s VAL 31 Cb -0.18 -1.81 0.06 0.00 0.00 0.00 0.00 36.38 34.45 2gbv s VAL 31 CO 0.18 0.54 0.55 -1.66 0.00 0.00 0.00 175.10 174.71 2gbv s TRP 32 N 0.90 -0.47 -4.92 5.22 -2.14 -0.46 0.29 118.94 117.37 2gbv s TRP 32 Ca -0.05 0.53 0.00 0.00 2.66 0.00 0.00 56.10 59.25 2gbv s TRP 32 Cb -0.15 0.38 0.00 0.00 -3.10 0.00 0.00 33.47 30.60 2gbv s TRP 32 CO -0.04 -0.67 0.00 0.41 -2.66 0.00 0.00 176.95 173.99 2gbv n GLY 33 N 0.35 -0.49 2.83 3.67 0.00 -0.75 0.43 105.19 111.23 2gbv n GLY 33 Ca -0.18 -0.88 -0.14 0.00 0.00 0.00 0.00 46.02 44.82 2gbv n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gbv s SER 34 N -4.00 0.02 -0.09 1.61 0.15 -1.01 -0.28 113.70 110.09 2gbv s SER 34 Ca 0.00 0.05 0.04 0.00 0.70 0.00 0.00 55.95 56.74 2gbv s SER 34 Cb 0.00 -0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 2gbv s SER 34 CO 0.00 -0.07 -0.22 -0.63 1.20 0.00 0.00 173.24 173.52 2gbv s ILE 35 N 0.58 1.89 0.46 6.45 1.01 0.13 -1.97 121.20 129.74 2gbv s ILE 35 Ca -0.05 -0.92 0.05 0.00 0.00 0.00 0.00 60.65 59.73 2gbv s ILE 35 Cb -0.07 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 2gbv s ILE 35 CO -0.02 0.52 0.08 -1.59 0.00 0.00 0.00 174.94 173.93 2gbv s LYS 36 N 0.39 2.12 -0.18 2.79 -2.85 0.42 0.16 119.74 122.58 2gbv s LYS 36 Ca -0.18 -2.15 0.00 0.00 -1.00 0.00 0.00 55.97 52.65 2gbv s LYS 36 Cb -0.18 -1.71 0.00 0.00 -2.06 0.00 0.00 37.83 33.88 2gbv s LYS 36 CO 0.08 -0.21 0.00 0.41 0.10 0.00 0.00 175.35 175.72 2gbv n GLY 37 N -1.19 0.52 3.90 0.59 0.00 -0.97 -2.20 105.19 105.85 2gbv n GLY 37 Ca -0.09 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 2gbv n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gbv s LEU 38 N -0.38 4.31 0.54 0.99 1.43 -0.63 -4.12 118.68 120.82 2gbv s LEU 38 Ca 0.00 0.51 -0.20 0.00 -1.03 0.00 0.00 54.13 53.41 2gbv s LEU 38 Cb 0.00 -3.10 -0.06 0.00 0.03 0.00 0.00 46.19 43.07 2gbv s LEU 38 CO 0.00 0.12 1.13 0.42 0.23 0.00 0.00 176.35 178.26 2gbv s THR 39 N -1.55 3.14 0.35 5.49 -4.23 -1.26 -4.18 115.64 113.41 2gbv s THR 39 Ca 0.37 0.72 -0.29 0.00 -1.18 0.00 0.00 61.69 61.31 2gbv s THR 39 Cb -0.13 -3.29 -0.11 0.00 1.34 0.00 0.00 72.50 70.31 2gbv s THR 39 CO 0.24 -0.15 1.51 -0.70 -0.54 0.00 0.00 174.62 174.98 2gbv s GLU 40 N -3.26 4.12 0.00 3.99 2.12 -1.26 -4.62 118.70 119.78 2gbv s GLU 40 Ca 0.73 2.56 0.00 0.00 0.36 0.00 0.00 54.97 58.62 2gbv s GLU 40 Cb -0.24 -2.99 0.00 0.00 0.26 0.00 0.00 34.13 31.16 2gbv s GLU 40 CO 0.27 -0.55 0.00 0.41 -0.54 0.00 0.00 175.26 174.85 2gbv n GLY 41 N 0.92 -0.45 3.75 -1.50 0.00 -0.74 -4.92 105.19 102.25 2gbv n GLY 41 Ca 0.03 -2.18 -0.40 0.00 0.00 0.00 0.00 46.02 43.46 2gbv n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gbv s LEU 42 N 0.00 4.61 -0.05 0.99 1.43 -1.26 -1.16 118.68 123.24 2gbv s LEU 42 Ca 0.00 2.07 0.01 0.00 -1.03 0.00 0.00 54.13 55.18 2gbv s LEU 42 Cb 0.00 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.63 2gbv s LEU 42 CO 0.00 0.04 -0.04 -1.00 0.23 0.00 0.00 176.35 175.58 2gbv s HIS 43 N -1.14 0.74 0.41 0.29 3.76 0.36 -2.78 115.29 116.94 2gbv s HIS 43 Ca 0.42 -0.21 -0.25 0.00 -0.15 0.00 0.00 55.06 54.88 2gbv s HIS 43 Cb -0.28 -0.68 -0.10 0.00 1.11 0.00 0.00 32.58 32.63 2gbv s HIS 43 CO 0.35 -0.20 1.17 0.41 -0.85 0.00 0.00 174.74 175.62 2gbv n GLY 44 N 4.14 0.24 2.65 -2.22 0.00 -0.17 -1.12 105.19 108.72 2gbv n GLY 44 Ca -0.23 0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 2gbv n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2gbv s PHE 45 N -1.21 0.00 0.03 1.61 5.36 -0.27 -0.19 117.98 123.30 2gbv s PHE 45 Ca 0.62 -0.29 -0.00 0.00 -0.96 0.00 0.00 56.93 56.30 2gbv s PHE 45 Cb -0.54 -0.62 -0.03 0.00 -0.34 0.00 0.00 43.02 41.50 2gbv s PHE 45 CO 0.58 -0.67 -0.03 -1.01 -1.46 0.00 0.00 175.22 172.62 2gbv s HIS 46 N 2.21 0.35 -0.28 10.12 3.76 -0.73 -2.77 115.29 127.96 2gbv s HIS 46 Ca 0.06 -0.72 -0.19 0.00 -0.15 0.00 0.00 55.06 54.07 2gbv s HIS 46 Cb -0.16 -0.26 -0.02 0.00 1.11 0.00 0.00 32.58 33.25 2gbv s HIS 46 CO -0.20 -0.26 0.55 0.08 -0.85 0.00 0.00 174.74 174.07 2gbv s VAL 47 N -2.31 5.03 0.33 -0.90 1.01 -0.49 -0.50 120.40 122.56 2gbv s VAL 47 Ca -0.08 0.86 -0.01 0.00 0.00 0.00 0.00 61.98 62.75 2gbv s VAL 47 Cb -0.04 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 2gbv s VAL 47 CO -0.04 0.01 0.54 -1.00 0.00 0.00 0.00 175.10 174.61 2gbv s HIS 48 N 2.40 3.50 0.14 5.22 3.76 0.17 -0.64 115.29 129.85 2gbv s HIS 48 Ca 0.22 0.43 -0.17 0.00 -0.15 0.00 0.00 55.06 55.39 2gbv s HIS 48 Cb -0.15 -1.95 0.01 0.00 1.11 0.00 0.00 32.58 31.60 2gbv s HIS 48 CO 0.10 0.14 1.76 1.49 -0.85 0.00 0.00 174.74 177.38 2gbv h GLU 49 N 1.04 0.27 -5.93 1.40 4.81 -0.52 -2.65 114.58 112.99 2gbv h GLU 49 Ca -0.49 -0.02 -0.68 0.00 -0.13 0.00 0.00 59.36 58.05 2gbv h GLU 49 Cb 1.21 -0.06 -0.17 0.00 0.63 0.00 0.00 28.75 30.36 2gbv h GLU 49 CO 0.63 0.18 -0.65 -0.06 -0.73 0.00 0.00 179.01 178.38 2gbv s PHE 50 N -6.17 3.08 -0.64 0.92 0.08 0.21 -4.65 117.98 110.82 2gbv s PHE 50 Ca -0.13 0.09 -0.05 0.00 0.12 0.00 0.00 56.93 56.95 2gbv s PHE 50 Cb 0.11 -1.79 -0.02 0.00 -0.57 0.00 0.00 43.02 40.75 2gbv s PHE 50 CO 0.70 0.37 2.91 0.41 -0.10 0.00 0.00 175.22 179.51 2gbv n GLY 51 N 2.35 4.20 3.05 4.36 0.00 -1.02 -3.67 105.19 114.46 2gbv n GLY 51 Ca -0.18 -1.73 -0.32 0.00 0.00 0.00 0.00 46.02 43.79 2gbv n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gbv s ASP 52 N 0.91 4.45 -0.23 1.61 -1.08 -1.26 -4.96 116.67 116.10 2gbv s ASP 52 Ca 0.61 -1.51 0.14 0.00 -0.52 0.00 0.00 52.55 51.27 2gbv s ASP 52 Cb 0.31 -1.52 0.64 0.00 -1.46 0.00 0.00 42.92 40.89 2gbv s ASP 52 CO -0.13 -0.23 1.59 -3.20 0.52 0.00 0.00 175.17 173.72 2gbv n ASN 53 N 4.43 4.39 -0.09 -0.34 4.05 -1.26 -3.06 115.26 123.38 2gbv n ASN 53 Ca -0.11 -3.12 -0.04 0.00 0.45 0.00 0.00 54.58 51.77 2gbv n ASN 53 Cb 0.42 -0.63 0.18 0.00 1.23 0.00 0.00 39.78 40.98 2gbv n ASN 53 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 2gbv h THR 54 N 2.42 1.24 -2.29 -0.44 1.35 -1.93 -2.94 112.91 110.31 2gbv h THR 54 Ca 0.08 -1.00 -0.63 0.00 -0.55 0.00 0.00 66.41 64.32 2gbv h THR 54 Cb 1.79 0.92 -0.40 0.00 -1.73 0.00 0.00 68.15 68.73 2gbv h THR 54 CO 0.41 0.35 -0.37 0.00 -0.25 0.00 0.00 175.52 175.66 2gbv n ALA 55 N -2.48 4.86 -0.81 6.62 0.00 -1.26 -5.05 120.51 122.39 2gbv n ALA 55 Ca 0.02 -4.70 0.00 0.00 0.00 0.00 0.00 53.44 48.76 2gbv n ALA 55 Cb 0.30 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.78 2gbv n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gbv n GLY 56 N -0.13 0.94 0.25 0.00 0.00 -1.11 -2.25 105.19 102.89 2gbv n GLY 56 Ca 0.33 -0.70 0.17 0.00 0.00 0.00 0.00 46.02 45.82 2gbv n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gbv h ALA 57 N -0.81 1.00 -0.83 4.61 0.00 -1.87 -3.21 119.26 118.15 2gbv h ALA 57 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2gbv h ALA 57 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2gbv h ALA 57 CO 0.00 0.00 0.54 1.15 0.00 0.00 0.00 179.25 180.94 2gbv h THR 58 N 0.00 1.18 0.00 0.00 2.02 -1.77 -2.61 112.91 111.72 2gbv h THR 58 Ca 0.00 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.81 2gbv h THR 58 Cb 0.28 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.69 2gbv h THR 58 CO 0.00 0.20 0.00 -1.54 0.37 0.00 0.00 175.52 174.55 2gbv n SER 59 N -4.54 0.00 0.00 4.18 3.41 -0.98 -3.19 113.62 112.50 2gbv n SER 59 Ca 0.09 -0.55 0.09 0.00 -0.26 0.00 0.00 58.87 58.24 2gbv n SER 59 Cb 0.05 -0.06 0.41 0.00 -0.26 0.00 0.00 64.21 64.35 2gbv n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gbv n ALA 60 N -1.06 1.87 -0.37 7.33 0.00 -0.98 -4.48 120.51 122.82 2gbv n ALA 60 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2gbv n ALA 60 Cb 0.09 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.25 2gbv n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gbv n GLY 61 N 0.34 -1.12 2.43 0.00 0.00 -1.19 -0.62 105.19 105.03 2gbv n GLY 61 Ca 0.06 -1.20 -0.19 0.00 0.00 0.00 0.00 46.02 44.69 2gbv n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2gbv n PRO 62 N -0.36 -0.85 -1.76 1.61 -0.04 -1.26 -4.55 135.00 127.79 2gbv n PRO 62 Ca 0.00 -1.29 -0.41 0.00 -0.04 0.00 0.00 63.50 61.75 2gbv n PRO 62 Cb 0.00 -0.87 -0.01 0.00 -0.04 0.00 0.00 33.50 32.59 2gbv n PRO 62 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2gbv n HIS 63 N -3.17 2.88 -1.72 0.54 8.25 -1.26 -0.57 115.22 120.17 2gbv n HIS 63 Ca 0.10 0.38 -0.42 0.00 -0.26 0.00 0.00 57.72 57.53 2gbv n HIS 63 Cb 0.36 -2.55 -0.03 0.00 1.12 0.00 0.00 29.99 28.90 2gbv n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2gbv s PHE 64 N -0.69 1.38 -0.38 4.41 5.36 0.19 -4.52 117.98 123.72 2gbv s PHE 64 Ca 0.58 -0.25 0.11 0.00 -0.96 0.00 0.00 56.93 56.40 2gbv s PHE 64 Cb -0.49 -4.17 0.34 0.00 -0.34 0.00 0.00 43.02 38.36 2gbv s PHE 64 CO 0.58 -5.14 0.75 -1.71 -1.46 0.00 0.00 175.22 168.24 2gbv n ASN 65 N 7.93 0.45 0.29 6.13 5.15 -1.26 -1.31 115.26 132.64 2gbv n ASN 65 Ca 0.21 -3.05 0.18 0.00 -0.60 0.00 0.00 54.58 51.32 2gbv n ASN 65 Cb 0.42 -0.36 0.78 0.00 -0.53 0.00 0.00 39.78 40.09 2gbv n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2gbv h PRO 66 N 3.09 0.00 -0.63 1.20 0.13 -1.98 -2.37 132.00 131.44 2gbv h PRO 66 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2gbv h PRO 66 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2gbv h PRO 66 CO 0.46 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.51 2gbv n LEU 67 N -3.09 3.51 -3.69 1.56 4.77 -1.26 -4.98 117.00 113.81 2gbv n LEU 67 Ca -0.00 -1.73 -0.23 0.00 -0.03 0.00 0.00 56.01 54.02 2gbv n LEU 67 Cb 0.26 -0.42 0.03 0.00 -2.33 0.00 0.00 43.42 40.97 2gbv n LEU 67 CO 0.26 0.86 -0.08 -1.20 -1.33 0.00 0.00 177.39 175.90 2gbv n SER 68 N 1.43 -2.12 -4.83 -1.43 7.64 -0.89 -5.00 113.62 108.41 2gbv n SER 68 Ca 0.22 -0.86 -0.26 0.00 1.01 0.00 0.00 58.87 58.98 2gbv n SER 68 Cb 0.56 -3.93 -0.04 0.00 -1.01 0.00 0.00 64.21 59.79 2gbv n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2gbv s ARG 69 N -5.92 2.28 0.52 1.43 0.52 -1.26 -5.14 118.95 111.38 2gbv s ARG 69 Ca 0.11 -1.94 -0.02 0.00 -0.52 0.00 0.00 55.73 53.36 2gbv s ARG 69 Cb -0.03 -2.04 0.01 0.00 0.52 0.00 0.00 34.95 33.41 2gbv s ARG 69 CO 0.82 -0.37 0.78 0.15 0.02 0.00 0.00 175.30 176.70 2gbv s LYS 70 N -4.10 2.94 0.34 3.54 1.02 -1.26 -4.69 119.74 117.53 2gbv s LYS 70 Ca 0.35 -0.32 -0.28 0.00 0.02 0.00 0.00 55.97 55.74 2gbv s LYS 70 Cb 0.00 -2.43 -0.10 0.00 -0.52 0.00 0.00 37.83 34.78 2gbv s LYS 70 CO 0.21 -0.50 1.28 -1.58 -0.92 0.00 0.00 175.35 173.84 2gbv s HIS 71 N -2.76 3.05 0.16 3.18 5.65 -0.05 -3.15 115.29 121.37 2gbv s HIS 71 Ca 0.52 1.44 -0.02 0.00 0.25 0.00 0.00 55.06 57.25 2gbv s HIS 71 Cb -0.10 -3.64 0.01 0.00 -1.18 0.00 0.00 32.58 27.67 2gbv s HIS 71 CO 0.41 -1.77 0.25 0.41 -0.65 0.00 0.00 174.74 173.38 2gbv n GLY 72 N 0.79 2.49 3.90 1.59 0.00 -1.24 -4.42 105.19 108.30 2gbv n GLY 72 Ca 0.01 -1.43 -0.28 0.00 0.00 0.00 0.00 46.02 44.31 2gbv n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gbv s GLY 73 N -1.99 1.55 0.55 -0.02 0.00 -1.21 -4.72 107.32 101.47 2gbv s GLY 73 Ca 0.12 -0.42 0.27 0.00 0.00 0.00 0.00 44.72 44.70 2gbv s GLY 73 CO 0.09 -0.21 1.98 -0.56 0.00 0.00 0.00 173.10 174.39 2gbv h PRO 74 N 0.02 0.00 0.00 2.90 0.13 -1.87 -1.05 132.00 132.14 2gbv h PRO 74 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2gbv h PRO 74 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2gbv h PRO 74 CO 0.62 0.00 -0.27 1.63 -0.23 0.00 0.00 178.00 179.75 2gbv n LYS 75 N -4.15 0.07 -2.71 0.86 5.02 -1.26 -4.87 118.16 111.11 2gbv n LYS 75 Ca 0.09 0.03 -0.36 0.00 -2.02 0.00 0.00 58.31 56.06 2gbv n LYS 75 Cb 0.63 -1.56 -0.06 0.00 -0.02 0.00 0.00 35.03 34.02 2gbv n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2gbv s ASP 76 N -3.32 7.05 0.10 4.39 1.01 -0.40 -4.97 116.67 120.53 2gbv s ASP 76 Ca 0.12 1.86 -0.15 0.00 0.71 0.00 0.00 52.55 55.09 2gbv s ASP 76 Cb 0.17 -2.57 -0.07 0.00 1.01 0.00 0.00 42.92 41.45 2gbv s ASP 76 CO 0.63 -0.28 1.45 -0.08 0.21 0.00 0.00 175.17 177.10 2gbv h GLU 77 N 2.64 0.67 -6.07 8.23 4.57 -1.89 -3.37 114.58 119.35 2gbv h GLU 77 Ca -0.48 -0.32 -0.58 0.00 -1.18 0.00 0.00 59.36 56.81 2gbv h GLU 77 Cb 1.20 -0.01 -0.10 0.00 -0.16 0.00 0.00 28.75 29.68 2gbv h GLU 77 CO 0.63 0.92 1.06 -2.00 -1.18 0.00 0.00 179.01 178.44 2gbv s GLU 78 N -4.51 3.29 0.17 1.92 2.56 -1.26 -4.93 118.70 115.94 2gbv s GLU 78 Ca -0.13 -0.62 -0.16 0.00 0.00 0.00 0.00 54.97 54.06 2gbv s GLU 78 Cb 0.09 -4.50 0.03 0.00 2.00 0.00 0.00 34.13 31.75 2gbv s GLU 78 CO 0.81 -2.09 0.47 -0.98 -0.56 0.00 0.00 175.26 172.92 2gbv s ARG 79 N 5.11 1.27 0.47 4.30 1.70 -1.19 -3.72 118.95 126.90 2gbv s ARG 79 Ca 0.35 -0.84 -0.20 0.00 -0.47 0.00 0.00 55.73 54.57 2gbv s ARG 79 Cb -0.08 0.49 -0.09 0.00 -0.57 0.00 0.00 34.95 34.71 2gbv s ARG 79 CO 0.07 -0.52 1.00 -1.01 -1.08 0.00 0.00 175.30 173.76 2gbv s HIS 80 N -3.86 3.14 0.30 5.89 3.76 -1.19 -4.65 115.29 118.67 2gbv s HIS 80 Ca 0.08 1.58 0.02 0.00 -0.15 0.00 0.00 55.06 56.58 2gbv s HIS 80 Cb 0.00 -2.97 0.56 0.00 1.11 0.00 0.00 32.58 31.28 2gbv s HIS 80 CO -0.05 -0.56 1.89 0.28 -0.85 0.00 0.00 174.74 175.45 2gbv h VAL 81 N 1.58 1.02 0.00 -0.90 2.07 -1.86 -1.83 116.25 116.33 2gbv h VAL 81 Ca -0.49 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 66.69 2gbv h VAL 81 Cb 1.20 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2gbv h VAL 81 CO 0.60 0.18 0.00 0.61 0.02 0.00 0.00 177.57 178.98 2gbv n GLY 82 N -1.39 -0.75 3.56 2.17 0.00 -0.43 -4.44 105.19 103.91 2gbv n GLY 82 Ca 0.15 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 2gbv n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gbv s ASP 83 N -2.21 6.16 0.00 1.61 1.01 -0.69 -1.40 116.67 121.16 2gbv s ASP 83 Ca 0.27 -0.93 0.23 0.00 0.71 0.00 0.00 52.55 52.82 2gbv s ASP 83 Cb 0.14 -2.56 0.53 0.00 1.01 0.00 0.00 42.92 42.04 2gbv s ASP 83 CO 0.26 -1.81 1.47 0.18 0.21 0.00 0.00 175.17 175.48 2gbv n LEU 84 N 9.88 3.63 0.00 1.23 4.77 -1.11 -3.66 117.00 131.73 2gbv n LEU 84 Ca 0.24 -1.69 0.00 0.00 -0.03 0.00 0.00 56.01 54.53 2gbv n LEU 84 Cb 0.50 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2gbv n LEU 84 CO 0.67 0.84 0.00 0.61 -1.33 0.00 0.00 177.39 178.18 2gbv n GLY 85 N 1.57 0.38 3.36 -0.72 0.00 -1.20 -4.78 105.19 103.80 2gbv n GLY 85 Ca 0.22 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 45.18 2gbv n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2gbv s ASN 86 N -4.00 2.96 0.16 1.61 0.01 -1.26 -1.12 114.94 113.30 2gbv s ASN 86 Ca 0.00 -0.81 0.07 0.00 -0.71 0.00 0.00 52.86 51.41 2gbv s ASN 86 Cb 0.00 -0.19 -0.04 0.00 0.41 0.00 0.00 41.25 41.43 2gbv s ASN 86 CO 0.00 0.06 -0.00 0.68 -1.51 0.00 0.00 177.10 176.33 2gbv s VAL 87 N -1.62 3.76 -0.20 1.60 -7.23 -0.27 -4.91 120.40 111.53 2gbv s VAL 87 Ca 0.15 -1.34 -0.02 0.00 -1.81 0.00 0.00 61.98 58.96 2gbv s VAL 87 Cb -0.08 -2.87 -0.00 0.00 0.56 0.00 0.00 36.38 33.99 2gbv s VAL 87 CO 0.07 -0.06 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.83 2gbv s THR 88 N -1.63 3.10 0.01 5.32 2.01 -1.26 -0.49 115.64 122.70 2gbv s THR 88 Ca 0.27 -0.59 -0.17 0.00 0.31 0.00 0.00 61.69 61.51 2gbv s THR 88 Cb -0.10 -2.38 -0.06 0.00 0.01 0.00 0.00 72.50 69.97 2gbv s THR 88 CO 0.18 0.46 0.47 0.00 -0.69 0.00 0.00 174.62 175.04 2gbv s ALA 89 N 1.24 3.63 0.96 7.40 0.00 -0.31 -4.24 121.76 130.44 2gbv s ALA 89 Ca 0.03 -0.13 -0.09 0.00 0.00 0.00 0.00 51.96 51.77 2gbv s ALA 89 Cb -0.14 -2.51 0.13 0.00 0.00 0.00 0.00 23.12 20.60 2gbv s ALA 89 CO -0.03 0.38 0.77 -0.40 0.00 0.00 0.00 175.76 176.47 2gbv n ASP 90 N 2.07 0.14 0.21 0.00 5.68 0.24 -1.78 116.55 123.10 2gbv n ASP 90 Ca -0.12 -1.32 0.15 0.00 -0.50 0.00 0.00 54.79 53.00 2gbv n ASP 90 Cb 0.52 -0.58 0.68 0.00 -1.14 0.00 0.00 41.12 40.59 2gbv n ASP 90 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2gbv h LYS 91 N 0.00 0.00 -0.10 0.11 2.10 -1.97 -2.22 116.57 114.48 2gbv h LYS 91 Ca -0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 2gbv h LYS 91 Cb 0.70 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.03 2gbv h LYS 91 CO 0.18 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.38 2gbv n ASP 92 N -2.64 1.88 0.00 7.07 8.00 -1.26 -4.93 116.55 124.67 2gbv n ASP 92 Ca 0.00 -1.67 0.00 0.00 0.71 0.00 0.00 54.79 53.83 2gbv n ASP 92 Cb 0.20 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 2gbv n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gbv n GLY 93 N 1.20 0.72 3.41 0.44 0.00 -0.84 -4.85 105.19 105.28 2gbv n GLY 93 Ca 0.17 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 2gbv n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gbv s VAL 94 N -2.00 3.37 -0.35 1.61 1.01 -1.26 -1.61 120.40 121.17 2gbv s VAL 94 Ca 0.00 -0.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 2gbv s VAL 94 Cb 0.00 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 33.95 2gbv s VAL 94 CO 0.00 0.51 0.20 0.00 0.00 0.00 0.00 175.10 175.81 2gbv s ALA 95 N 0.41 3.31 -0.80 5.51 0.00 0.12 -0.60 121.76 129.73 2gbv s ALA 95 Ca -0.08 -1.56 -0.19 0.00 0.00 0.00 0.00 51.96 50.12 2gbv s ALA 95 Cb -0.15 -2.55 0.12 0.00 0.00 0.00 0.00 23.12 20.54 2gbv s ALA 95 CO 0.04 -1.17 0.99 -0.51 0.00 0.00 0.00 175.76 175.11 2gbv s ASP 96 N 1.60 6.44 0.14 0.00 1.01 -1.26 -0.70 116.67 123.91 2gbv s ASP 96 Ca 0.04 -1.71 -0.30 0.00 0.71 0.00 0.00 52.55 51.28 2gbv s ASP 96 Cb -0.18 -2.38 -0.07 0.00 1.01 0.00 0.00 42.92 41.31 2gbv s ASP 96 CO 0.07 -1.14 1.06 -0.69 0.21 0.00 0.00 175.17 174.68 2gbv s VAL 97 N 2.88 4.12 -0.26 -1.27 1.01 0.61 -4.91 120.40 122.57 2gbv s VAL 97 Ca 0.25 1.77 -0.01 0.00 0.00 0.00 0.00 61.98 63.99 2gbv s VAL 97 Cb -0.12 -4.13 0.14 0.00 0.00 0.00 0.00 36.38 32.28 2gbv s VAL 97 CO -0.02 0.28 0.38 -0.55 0.00 0.00 0.00 175.10 175.19 2gbv s SER 98 N 0.04 0.40 0.01 3.32 0.15 -1.25 -1.80 113.70 114.57 2gbv s SER 98 Ca 0.49 -0.06 0.02 0.00 0.70 0.00 0.00 55.95 57.10 2gbv s SER 98 Cb -0.27 1.07 -0.01 0.00 -1.71 0.00 0.00 66.02 65.09 2gbv s SER 98 CO 0.33 -0.33 -0.08 -0.63 1.20 0.00 0.00 173.24 173.73 2gbv s ILE 99 N 2.53 0.59 -0.08 6.45 1.01 0.15 -5.00 121.20 126.85 2gbv s ILE 99 Ca 0.11 -0.55 0.04 0.00 0.00 0.00 0.00 60.65 60.25 2gbv s ILE 99 Cb -0.14 -0.54 0.00 0.00 0.01 0.00 0.00 42.46 41.78 2gbv s ILE 99 CO -0.22 0.01 -0.21 -0.70 0.00 0.00 0.00 174.94 173.81 2gbv s GLU 100 N -0.60 2.56 -0.01 2.79 2.12 -1.26 0.56 118.70 124.86 2gbv s GLU 100 Ca -0.01 -0.76 0.01 0.00 0.36 0.00 0.00 54.97 54.58 2gbv s GLU 100 Cb -0.05 -2.02 0.00 0.00 0.26 0.00 0.00 34.13 32.32 2gbv s GLU 100 CO 0.00 0.19 -0.04 0.34 -0.54 0.00 0.00 175.26 175.21 2gbv s ASP 101 N 0.29 0.51 0.00 -1.70 2.15 -0.31 -4.97 116.67 112.64 2gbv s ASP 101 Ca -0.14 -0.07 0.14 0.00 0.43 0.00 0.00 52.55 52.91 2gbv s ASP 101 Cb -0.16 -0.09 0.28 0.00 -0.30 0.00 0.00 42.92 42.65 2gbv s ASP 101 CO 0.06 0.03 1.17 -1.54 -0.17 0.00 0.00 175.17 174.73 2gbv n SER 102 N 3.12 2.77 -0.13 -0.34 3.41 -1.26 -0.65 113.62 120.55 2gbv n SER 102 Ca -0.15 -1.83 -0.23 0.00 -0.26 0.00 0.00 58.87 56.41 2gbv n SER 102 Cb 0.57 -0.17 -0.10 0.00 -0.26 0.00 0.00 64.21 64.25 2gbv n SER 102 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2gbv n VAL 103 N 0.82 1.43 -2.18 -3.33 0.31 -1.26 -4.92 118.33 109.21 2gbv n VAL 103 Ca 0.12 -0.46 -0.36 0.00 -0.01 0.00 0.00 64.34 63.63 2gbv n VAL 103 Cb 0.43 -1.61 0.01 0.00 -0.91 0.00 0.00 33.84 31.76 2gbv n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2gbv s ILE 104 N -2.49 2.96 0.05 2.52 -4.36 -1.26 -5.02 121.20 113.60 2gbv s ILE 104 Ca -0.35 0.65 0.02 0.00 -0.26 0.00 0.00 60.65 60.71 2gbv s ILE 104 Cb 0.11 -3.29 -0.03 0.00 1.25 0.00 0.00 42.46 40.50 2gbv s ILE 104 CO 0.52 -0.08 -0.07 -0.55 0.24 0.00 0.00 174.94 175.00 2gbv s SER 105 N -1.52 0.83 0.00 4.36 0.15 -1.26 -4.56 113.70 111.69 2gbv s SER 105 Ca 0.70 -0.63 0.27 0.00 0.70 0.00 0.00 55.95 56.98 2gbv s SER 105 Cb -0.28 0.06 0.74 0.00 -1.71 0.00 0.00 66.02 64.83 2gbv s SER 105 CO 0.32 -0.27 1.57 0.18 1.20 0.00 0.00 173.24 176.24 2gbv n LEU 106 N 1.19 1.91 -4.23 3.45 4.77 -1.26 -1.26 117.00 121.56 2gbv n LEU 106 Ca -0.21 -0.63 -0.16 0.00 -0.03 0.00 0.00 56.01 54.98 2gbv n LEU 106 Cb 0.56 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.55 2gbv n LEU 106 CO 0.22 0.32 -0.13 -0.94 -1.33 0.00 0.00 177.39 175.53 2gbv s SER 107 N -2.06 1.05 0.00 -1.43 1.04 -1.26 -4.69 113.70 106.34 2gbv s SER 107 Ca 0.33 -1.59 0.00 0.00 0.48 0.00 0.00 55.95 55.17 2gbv s SER 107 Cb 0.20 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.83 2gbv s SER 107 CO 0.35 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 174.18 2gbv n GLY 108 N -0.49 -0.74 0.03 7.32 0.00 -1.26 -3.77 105.19 106.28 2gbv n GLY 108 Ca 0.05 -1.72 0.10 0.00 0.00 0.00 0.00 46.02 44.46 2gbv n GLY 108 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2gbv n ASP 109 N -0.91 0.18 -0.98 1.61 5.75 -1.26 -2.23 116.55 118.72 2gbv n ASP 109 Ca 0.00 0.53 0.01 0.00 -0.01 0.00 0.00 54.79 55.32 2gbv n ASP 109 Cb 0.00 -0.58 0.21 0.00 -1.03 0.00 0.00 41.12 39.73 2gbv n ASP 109 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2gbv n HIS 110 N -1.69 0.93 -1.67 2.11 8.25 -1.26 -5.06 115.22 116.83 2gbv n HIS 110 Ca 0.05 -1.32 -0.37 0.00 -0.26 0.00 0.00 57.72 55.81 2gbv n HIS 110 Cb 0.26 -0.40 0.06 0.00 1.12 0.00 0.00 29.99 31.02 2gbv n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2gbv n ALA 111 N -0.96 0.67 1.49 -1.41 0.00 -0.95 -4.64 120.51 114.71 2gbv n ALA 111 Ca 0.28 0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.87 2gbv n ALA 111 Cb 0.95 -2.21 0.52 0.00 0.00 0.00 0.00 19.45 18.71 2gbv n ALA 111 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2gbv n ILE 112 N -1.75 0.02 -1.87 0.00 -5.35 -0.39 -4.91 119.36 105.10 2gbv n ILE 112 Ca 0.14 -0.25 -0.42 0.00 -0.27 0.00 0.00 62.75 61.95 2gbv n ILE 112 Cb 0.47 0.46 -0.03 0.00 -1.74 0.00 0.00 39.64 38.81 2gbv n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2gbv s ILE 113 N -1.98 2.41 0.00 7.28 -1.09 -1.26 -2.10 121.20 124.46 2gbv s ILE 113 Ca 0.38 0.31 0.00 0.00 -2.23 0.00 0.00 60.65 59.10 2gbv s ILE 113 Cb 0.21 -3.20 0.00 0.00 -1.58 0.00 0.00 42.46 37.89 2gbv s ILE 113 CO 0.33 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.68 2gbv n GLY 114 N 3.42 0.72 2.58 6.18 0.00 0.56 -5.00 105.19 113.65 2gbv n GLY 114 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 2gbv n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gbv n ARG 115 N -2.48 0.84 -4.70 1.61 1.74 -0.89 -2.43 116.66 110.35 2gbv n ARG 115 Ca 0.00 -2.19 -0.33 0.00 -0.77 0.00 0.00 57.85 54.56 2gbv n ARG 115 Cb 0.00 0.04 -0.15 0.00 -1.02 0.00 0.00 32.46 31.33 2gbv n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2gbv s THR 116 N -1.61 2.71 -0.05 0.55 2.01 -1.00 -0.02 115.64 118.22 2gbv s THR 116 Ca 0.31 -0.77 -0.21 0.00 0.31 0.00 0.00 61.69 61.33 2gbv s THR 116 Cb -0.02 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.31 2gbv s THR 116 CO 0.20 0.52 0.62 -0.22 -0.69 0.00 0.00 174.62 175.05 2gbv s LEU 117 N 0.61 4.35 -0.04 4.42 2.96 -0.08 0.45 118.68 131.34 2gbv s LEU 117 Ca -0.09 1.11 0.03 0.00 -0.22 0.00 0.00 54.13 54.96 2gbv s LEU 117 Cb -0.16 -2.96 0.01 0.00 0.50 0.00 0.00 46.19 43.58 2gbv s LEU 117 CO 0.03 -0.01 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.25 2gbv s VAL 118 N 0.40 0.95 -0.14 1.68 1.01 0.34 -1.62 120.40 123.03 2gbv s VAL 118 Ca 0.33 -0.43 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 2gbv s VAL 118 Cb -0.17 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 2gbv s VAL 118 CO 0.16 0.30 0.01 0.54 0.00 0.00 0.00 175.10 176.11 2gbv s VAL 119 N 0.33 4.32 0.33 2.92 0.11 -0.64 -1.77 120.40 126.00 2gbv s VAL 119 Ca -0.06 -0.22 0.07 0.00 -2.93 0.00 0.00 61.98 58.84 2gbv s VAL 119 Cb -0.11 -2.88 -0.02 0.00 -1.53 0.00 0.00 36.38 31.84 2gbv s VAL 119 CO 0.01 0.53 0.32 -1.00 -3.33 0.00 0.00 175.10 171.64 2gbv s HIS 120 N -0.14 2.96 0.18 1.54 3.76 0.73 -1.10 115.29 123.22 2gbv s HIS 120 Ca 0.05 -0.28 -0.13 0.00 -0.15 0.00 0.00 55.06 54.55 2gbv s HIS 120 Cb -0.13 -1.81 0.12 0.00 1.11 0.00 0.00 32.58 31.87 2gbv s HIS 120 CO 0.02 0.17 1.82 1.49 -0.85 0.00 0.00 174.74 177.38 2gbv h GLU 121 N 1.19 0.64 -4.98 1.40 4.81 -0.69 -3.37 114.58 113.58 2gbv h GLU 121 Ca -0.45 -0.04 -0.54 0.00 -0.13 0.00 0.00 59.36 58.20 2gbv h GLU 121 Cb 1.25 -0.14 -0.13 0.00 0.63 0.00 0.00 28.75 30.36 2gbv h GLU 121 CO 0.57 0.42 -0.49 -1.59 -0.73 0.00 0.00 179.01 177.20 2gbv s LYS 122 N -6.13 1.91 0.49 1.92 -2.85 -0.17 -4.91 119.74 110.00 2gbv s LYS 122 Ca -0.13 -2.16 -0.24 0.00 -1.00 0.00 0.00 55.97 52.44 2gbv s LYS 122 Cb 0.14 -0.22 -0.07 0.00 -2.06 0.00 0.00 37.83 35.62 2gbv s LYS 122 CO 0.75 -0.59 1.40 0.00 0.10 0.00 0.00 175.35 177.01 2gbv s ALA 123 N -3.26 3.07 -0.24 0.59 0.00 -1.12 -1.00 121.76 119.80 2gbv s ALA 123 Ca 0.29 1.41 -0.28 0.00 0.00 0.00 0.00 51.96 53.38 2gbv s ALA 123 Cb 0.02 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 19.56 2gbv s ALA 123 CO 0.20 -1.26 1.00 0.34 0.00 0.00 0.00 175.76 176.04 2gbv s ASP 124 N -0.69 7.04 0.00 0.00 -1.08 -1.26 -3.59 116.67 117.09 2gbv s ASP 124 Ca 0.65 1.29 0.18 0.00 -0.52 0.00 0.00 52.55 54.16 2gbv s ASP 124 Cb -0.42 -2.52 1.10 0.00 -1.46 0.00 0.00 42.92 39.62 2gbv s ASP 124 CO 0.53 -0.65 1.65 -0.90 0.52 0.00 0.00 175.17 176.32 2gbv n ASP 125 N 6.28 0.00 -2.09 -0.34 5.68 0.10 -4.89 116.55 121.29 2gbv n ASP 125 Ca 0.11 -1.27 -0.20 0.00 -0.50 0.00 0.00 54.79 52.93 2gbv n ASP 125 Cb 0.46 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.41 2gbv n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2gbv n LEU 126 N -0.81 -1.79 0.00 -2.12 4.77 -1.26 -2.01 117.00 113.77 2gbv n LEU 126 Ca 0.14 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 2gbv n LEU 126 Cb 0.06 -2.87 0.00 0.00 -2.33 0.00 0.00 43.42 38.29 2gbv n LEU 126 CO 0.10 -0.48 0.00 0.61 -1.33 0.00 0.00 177.39 176.29 2gbv n GLY 127 N -0.85 0.62 1.12 -0.72 0.00 -1.25 -3.35 105.19 100.77 2gbv n GLY 127 Ca -0.23 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 45.83 2gbv n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gbv n LYS 128 N -2.75 3.21 0.00 1.61 5.02 -0.85 -4.60 118.16 119.80 2gbv n LYS 128 Ca 0.00 -2.93 0.13 0.00 -2.02 0.00 0.00 58.31 53.49 2gbv n LYS 128 Cb 0.00 -1.93 0.44 0.00 -0.02 0.00 0.00 35.03 33.52 2gbv n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2gbv n GLY 129 N -0.36 -0.09 2.13 0.72 0.00 -1.26 -4.96 105.19 101.37 2gbv n GLY 129 Ca 0.24 -0.46 -0.05 0.00 0.00 0.00 0.00 46.02 45.75 2gbv n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbv n GLY 130 N 1.24 0.52 3.52 -0.02 0.00 -1.26 -4.95 105.19 104.23 2gbv n GLY 130 Ca 0.17 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 2gbv n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gbv s ASN 131 N -2.87 -0.02 0.28 1.61 2.20 -1.26 -5.04 114.94 109.83 2gbv s ASN 131 Ca 0.00 -1.03 -0.03 0.00 -0.94 0.00 0.00 52.86 50.86 2gbv s ASN 131 Cb 0.00 0.55 0.40 0.00 -2.00 0.00 0.00 41.25 40.20 2gbv s ASN 131 CO 0.00 -1.09 1.93 -0.33 -2.94 0.00 0.00 177.10 174.67 2gbv h GLU 132 N 2.32 1.16 -0.86 3.55 5.08 -1.98 -2.01 114.58 121.83 2gbv h GLU 132 Ca -0.28 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 2gbv h GLU 132 Cb 1.25 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 30.20 2gbv h GLU 132 CO 0.39 0.76 0.48 1.49 -1.00 0.00 0.00 179.01 181.14 2gbv h GLU 133 N 1.19 1.19 -0.61 2.33 4.57 -1.99 -1.81 114.58 119.46 2gbv h GLU 133 Ca 0.37 -0.13 0.04 0.00 -1.18 0.00 0.00 59.36 58.46 2gbv h GLU 133 Cb -0.00 -0.24 -0.05 0.00 -0.16 0.00 0.00 28.75 28.30 2gbv h GLU 133 CO -0.11 0.86 0.35 1.03 -1.18 0.00 0.00 179.01 179.97 2gbv h SER 134 N 1.20 0.54 -0.11 1.04 0.87 -1.71 0.19 113.55 115.58 2gbv h SER 134 Ca 0.31 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 2gbv h SER 134 Cb 0.01 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 2gbv h SER 134 CO -0.05 0.37 0.00 0.35 -0.53 0.00 0.00 176.83 176.96 2gbv n THR 135 N -4.78 0.14 -0.06 2.23 -2.24 -0.86 -1.56 114.28 107.15 2gbv n THR 135 Ca 0.06 -0.20 -0.12 0.00 -2.27 0.00 0.00 64.05 61.52 2gbv n THR 135 Cb 0.13 0.08 -0.04 0.00 -2.10 0.00 0.00 70.33 68.40 2gbv n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2gbv n LYS 136 N -0.14 0.27 0.00 -0.78 5.02 -0.74 -0.87 118.16 120.93 2gbv n LYS 136 Ca 0.13 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 2gbv n LYS 136 Cb 0.20 -0.96 0.00 0.00 -0.02 0.00 0.00 35.03 34.24 2gbv n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2gbv n THR 137 N -3.68 0.00 -1.16 -0.18 -2.24 0.62 -4.64 114.28 103.00 2gbv n THR 137 Ca -0.22 -0.41 -0.06 0.00 -2.27 0.00 0.00 64.05 61.09 2gbv n THR 137 Cb 0.59 1.06 -0.02 0.00 -2.10 0.00 0.00 70.33 69.85 2gbv n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gbv n GLY 138 N 0.53 0.78 2.92 3.38 0.00 -0.60 -3.45 105.19 108.75 2gbv n GLY 138 Ca 0.00 -0.38 -0.21 0.00 0.00 0.00 0.00 46.02 45.43 2gbv n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2gbv n ASN 139 N 0.15 -5.36 0.00 1.61 3.02 -1.25 0.01 115.26 113.44 2gbv n ASN 139 Ca -0.06 -0.21 0.14 0.00 -0.03 0.00 0.00 54.58 54.43 2gbv n ASN 139 Cb 0.27 -4.39 0.66 0.00 -0.61 0.00 0.00 39.78 35.71 2gbv n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2gbv n ALA 140 N -3.14 2.35 -0.32 5.41 0.00 -1.22 -4.71 120.51 118.88 2gbv n ALA 140 Ca -0.12 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2gbv n ALA 140 Cb 0.62 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2gbv n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gbv n GLY 141 N 1.34 -0.12 3.76 0.00 0.00 -1.26 -1.00 105.19 107.91 2gbv n GLY 141 Ca 0.10 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 2gbv n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gbv s SER 142 N -4.00 4.31 -0.38 1.61 1.04 -1.26 -4.57 113.70 110.45 2gbv s SER 142 Ca 0.00 1.82 -0.21 0.00 0.48 0.00 0.00 55.95 58.04 2gbv s SER 142 Cb 0.00 -2.50 0.01 0.00 0.10 0.00 0.00 66.02 63.63 2gbv s SER 142 CO 0.00 -2.16 0.67 -0.13 0.98 0.00 0.00 173.24 172.60 2gbv s ARG 143 N -4.89 3.59 -0.02 4.02 0.52 -1.26 -0.52 118.95 120.38 2gbv s ARG 143 Ca 0.62 -0.01 -0.11 0.00 -0.52 0.00 0.00 55.73 55.71 2gbv s ARG 143 Cb -0.18 -3.85 -0.31 0.00 0.52 0.00 0.00 34.95 31.13 2gbv s ARG 143 CO 0.56 -0.84 0.78 -0.07 0.02 0.00 0.00 175.30 175.75 2gbv h LEU 144 N 9.56 0.63 -7.27 2.53 3.38 -1.42 -3.48 115.31 119.25 2gbv h LEU 144 Ca -0.26 -0.86 -0.07 0.00 0.09 0.00 0.00 57.88 56.78 2gbv h LEU 144 Cb 1.10 -0.21 -0.17 0.00 0.09 0.00 0.00 40.66 41.48 2gbv h LEU 144 CO 0.87 1.71 -0.03 0.00 0.09 0.00 0.00 178.44 181.08 2gbv s ALA 145 N -2.59 -1.21 0.08 1.53 0.00 -1.16 -4.21 121.76 114.20 2gbv s ALA 145 Ca -0.13 0.55 -0.18 0.00 0.00 0.00 0.00 51.96 52.20 2gbv s ALA 145 Cb 0.05 0.30 0.04 0.00 0.00 0.00 0.00 23.12 23.51 2gbv s ALA 145 CO 0.88 -0.45 0.43 0.00 0.00 0.00 0.00 175.76 176.61 2gbv s ALA 146 N -2.22 -1.03 -0.07 0.00 0.00 -0.13 -1.62 121.76 116.69 2gbv s ALA 146 Ca -0.07 0.20 -0.24 0.00 0.00 0.00 0.00 51.96 51.85 2gbv s ALA 146 Cb -0.01 0.52 0.05 0.00 0.00 0.00 0.00 23.12 23.68 2gbv s ALA 146 CO -0.00 -0.55 0.54 0.20 0.00 0.00 0.00 175.76 175.95 2gbv s GLY 147 N -2.37 -0.41 0.21 0.00 0.00 -0.64 -1.65 107.32 102.46 2gbv s GLY 147 Ca -0.02 1.05 -0.30 0.00 0.00 0.00 0.00 44.72 45.46 2gbv s GLY 147 CO -0.07 0.76 1.08 0.14 0.00 0.00 0.00 173.10 175.02 2gbv s VAL 148 N -0.97 3.80 -0.47 1.40 1.01 -1.26 -0.90 120.40 123.00 2gbv s VAL 148 Ca -0.10 1.64 -0.27 0.00 0.00 0.00 0.00 61.98 63.25 2gbv s VAL 148 Cb -0.02 -4.04 0.03 0.00 0.00 0.00 0.00 36.38 32.34 2gbv s VAL 148 CO 0.07 0.32 1.03 -0.63 0.00 0.00 0.00 175.10 175.89 2gbv s ILE 149 N -0.58 4.34 0.19 2.22 1.01 0.96 -4.45 121.20 124.89 2gbv s ILE 149 Ca 0.47 1.01 0.07 0.00 0.00 0.00 0.00 60.65 62.20 2gbv s ILE 149 Cb -0.30 -4.52 -0.04 0.00 0.01 0.00 0.00 42.46 37.62 2gbv s ILE 149 CO 0.36 -0.91 0.03 -0.83 0.00 0.00 0.00 174.94 173.59 2gbv s GLY 150 N 2.35 1.70 0.18 6.18 0.00 0.05 -0.32 107.32 117.46 2gbv s GLY 150 Ca 0.43 -1.37 -0.31 0.00 0.00 0.00 0.00 44.72 43.47 2gbv s GLY 150 CO 0.29 -1.40 1.44 -0.42 0.00 0.00 0.00 173.10 173.01 2gbv s ILE 151 N -1.82 2.90 0.28 0.90 1.01 -1.26 -0.88 121.20 122.33 2gbv s ILE 151 Ca 0.29 0.69 0.10 0.00 0.00 0.00 0.00 60.65 61.73 2gbv s ILE 151 Cb -0.09 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.89 2gbv s ILE 151 CO 0.20 0.08 -0.05 0.00 0.00 0.00 0.00 174.94 175.17 2gbv s ALA 152 N 0.62 3.07 -2.00 9.38 0.00 -0.46 -4.81 121.76 127.56 2gbv s ALA 152 Ca 0.63 -1.74 0.16 0.00 0.00 0.00 0.00 51.96 51.01 2gbv s ALA 152 Cb -0.40 -0.61 0.96 0.00 0.00 0.00 0.00 23.12 23.06 2gbv s ALA 152 CO 0.36 0.25 1.37 0.94 0.00 0.00 0.00 175.76 178.67