#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gbv n THR 2 N 0.00 0.33 -4.08 0.00 -2.24 -1.26 -4.52 114.28 102.51 2gbv n THR 2 Ca 0.00 -0.45 -0.14 0.00 -2.27 0.00 0.00 64.05 61.19 2gbv n THR 2 Cb 0.00 -0.10 -0.12 0.00 -2.10 0.00 0.00 70.33 68.01 2gbv n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2gbv s LYS 3 N -3.36 0.48 0.19 -0.78 1.02 -1.26 -0.33 119.74 115.70 2gbv s LYS 3 Ca -0.01 -0.57 -0.09 0.00 0.02 0.00 0.00 55.97 55.31 2gbv s LYS 3 Cb 0.12 -0.30 -0.01 0.00 -0.52 0.00 0.00 37.83 37.12 2gbv s LYS 3 CO 0.82 0.06 0.32 0.00 -0.92 0.00 0.00 175.35 175.64 2gbv s ALA 4 N -0.99 0.06 0.02 5.17 0.00 -0.23 -1.27 121.76 124.52 2gbv s ALA 4 Ca -0.07 -0.97 -0.16 0.00 0.00 0.00 0.00 51.96 50.76 2gbv s ALA 4 Cb -0.07 0.99 0.03 0.00 0.00 0.00 0.00 23.12 24.06 2gbv s ALA 4 CO 0.00 -0.70 0.35 0.54 0.00 0.00 0.00 175.76 175.95 2gbv s VAL 5 N -4.01 0.06 -0.02 0.00 0.11 -0.11 -0.50 120.40 115.94 2gbv s VAL 5 Ca 0.21 -0.51 0.00 0.00 -2.93 0.00 0.00 61.98 58.75 2gbv s VAL 5 Cb 0.03 -0.82 0.02 0.00 -1.53 0.00 0.00 36.38 34.08 2gbv s VAL 5 CO 0.04 -0.28 0.02 0.00 -3.33 0.00 0.00 175.10 171.55 2gbv s ALA 6 N -1.97 0.09 -0.35 1.54 0.00 -0.15 -0.20 121.76 120.72 2gbv s ALA 6 Ca -0.09 0.20 -0.12 0.00 0.00 0.00 0.00 51.96 51.95 2gbv s ALA 6 Cb -0.02 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 22.91 2gbv s ALA 6 CO 0.01 -0.07 0.21 0.08 0.00 0.00 0.00 175.76 175.99 2gbv s VAL 7 N 0.75 4.85 -0.21 0.00 1.01 -1.26 -1.22 120.40 124.32 2gbv s VAL 7 Ca -0.06 -0.54 -0.25 0.00 0.00 0.00 0.00 61.98 61.12 2gbv s VAL 7 Cb -0.09 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 2gbv s VAL 7 CO -0.02 -0.10 0.83 -0.76 0.00 0.00 0.00 175.10 175.05 2gbv s LEU 8 N 1.63 4.13 0.06 3.92 1.43 0.27 -3.84 118.68 126.27 2gbv s LEU 8 Ca 0.04 1.11 0.04 0.00 -1.03 0.00 0.00 54.13 54.29 2gbv s LEU 8 Cb -0.18 -3.21 -0.03 0.00 0.03 0.00 0.00 46.19 42.80 2gbv s LEU 8 CO 0.08 -0.46 -0.11 -0.54 0.23 0.00 0.00 176.35 175.55 2gbv s LYS 9 N 2.50 0.68 0.00 1.70 -0.14 -0.33 -2.39 119.74 121.77 2gbv s LYS 9 Ca 0.37 -0.87 0.00 0.00 -1.36 0.00 0.00 55.97 54.10 2gbv s LYS 9 Cb -0.16 -0.56 0.00 0.00 -1.68 0.00 0.00 37.83 35.43 2gbv s LYS 9 CO 0.10 0.12 0.00 0.41 -0.76 0.00 0.00 175.35 175.21 2gbv n GLY 10 N 1.33 3.26 0.17 -3.33 0.00 -1.24 -0.81 105.19 104.57 2gbv n GLY 10 Ca -0.22 -1.38 0.12 0.00 0.00 0.00 0.00 46.02 44.54 2gbv n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2gbv h ASP 11 N 0.00 0.00 -1.64 1.61 3.32 -1.91 -3.47 116.42 114.33 2gbv h ASP 11 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2gbv h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2gbv h ASP 11 CO 0.00 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.14 2gbv n GLY 12 N 1.16 2.73 0.00 2.75 0.00 -1.26 -5.02 105.19 105.55 2gbv n GLY 12 Ca 0.03 -2.02 0.14 0.00 0.00 0.00 0.00 46.02 44.17 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 0.12 -2.21 1.61 -0.04 -1.26 -4.87 135.00 128.35 2gbv n PRO 13 Ca 0.00 -0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.03 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 -2.88 3.79 0.08 0.52 1.01 -1.26 -4.44 120.40 117.22 2gbv s VAL 14 Ca 0.18 1.09 -0.19 0.00 0.00 0.00 0.00 61.98 63.06 2gbv s VAL 14 Cb 0.19 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.91 2gbv s VAL 14 CO 0.51 -0.04 0.45 0.00 0.00 0.00 0.00 175.10 176.02 2gbv s GLN 15 N 2.97 1.03 -0.07 2.72 -2.07 -0.91 -3.68 119.66 119.64 2gbv s GLN 15 Ca 0.64 -0.46 -0.31 0.00 -1.82 0.00 0.00 55.36 53.41 2gbv s GLN 15 Cb -0.30 0.46 0.13 0.00 -1.09 0.00 0.00 33.01 32.21 2gbv s GLN 15 CO 0.25 -0.38 1.38 0.20 -1.32 0.00 0.00 175.29 175.42 2gbv s GLY 16 N -2.33 -0.38 -0.11 2.60 0.00 -1.00 -0.42 107.32 105.68 2gbv s GLY 16 Ca -0.02 0.63 0.02 0.00 0.00 0.00 0.00 44.72 45.35 2gbv s GLY 16 CO -0.06 2.27 -0.15 -0.42 0.00 0.00 0.00 173.10 174.74 2gbv s ILE 17 N -2.09 1.48 -0.15 0.90 1.01 -0.80 -0.57 121.20 120.97 2gbv s ILE 17 Ca 0.20 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 60.24 2gbv s ILE 17 Cb 0.05 -1.35 0.01 0.00 0.01 0.00 0.00 42.46 41.18 2gbv s ILE 17 CO -0.05 0.44 -0.21 -0.63 0.00 0.00 0.00 174.94 174.49 2gbv s ILE 18 N 0.98 2.07 0.01 2.92 -1.09 -0.36 -2.07 121.20 123.67 2gbv s ILE 18 Ca -0.07 -0.97 -0.05 0.00 -2.23 0.00 0.00 60.65 57.34 2gbv s ILE 18 Cb -0.15 -1.84 -0.05 0.00 -1.58 0.00 0.00 42.46 38.85 2gbv s ILE 18 CO -0.01 0.55 0.24 0.20 -1.23 0.00 0.00 174.94 174.69 2gbv s ASN 19 N 0.92 6.45 -0.04 3.58 0.01 0.23 -0.98 114.94 125.11 2gbv s ASN 19 Ca -0.04 0.48 0.05 0.00 -0.71 0.00 0.00 52.86 52.63 2gbv s ASN 19 Cb -0.15 -2.05 -0.00 0.00 0.41 0.00 0.00 41.25 39.45 2gbv s ASN 19 CO -0.04 0.24 -0.18 -0.36 -1.51 0.00 0.00 177.10 175.25 2gbv s PHE 20 N -1.34 1.75 -0.03 2.20 0.40 0.34 -1.26 117.98 120.05 2gbv s PHE 20 Ca 0.29 -0.49 0.01 0.00 -0.60 0.00 0.00 56.93 56.13 2gbv s PHE 20 Cb -0.13 -1.17 0.02 0.00 0.51 0.00 0.00 43.02 42.25 2gbv s PHE 20 CO 0.18 -0.16 -0.01 -2.00 0.70 0.00 0.00 175.22 173.94 2gbv s GLU 21 N -0.02 0.33 -0.27 0.44 2.12 0.01 -1.07 118.70 120.24 2gbv s GLU 21 Ca -0.03 0.03 -0.01 0.00 0.36 0.00 0.00 54.97 55.32 2gbv s GLU 21 Cb -0.11 -0.46 0.08 0.00 0.26 0.00 0.00 34.13 33.90 2gbv s GLU 21 CO 0.02 -0.09 0.06 -1.14 -0.54 0.00 0.00 175.26 173.57 2gbv s GLN 22 N 0.80 0.86 0.26 4.30 0.74 0.55 -0.86 119.66 126.32 2gbv s GLN 22 Ca -0.08 -0.94 0.12 0.00 0.05 0.00 0.00 55.36 54.51 2gbv s GLN 22 Cb -0.11 -2.16 0.28 0.00 1.10 0.00 0.00 33.01 32.12 2gbv s GLN 22 CO -0.01 -0.84 1.55 0.87 -0.55 0.00 0.00 175.29 176.31 2gbv h LYS 23 N 8.09 0.00 -5.03 1.67 1.57 -1.81 -3.41 116.57 117.65 2gbv h LYS 23 Ca -0.14 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.20 2gbv h LYS 23 Cb 1.05 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 33.07 2gbv h LYS 23 CO 0.43 0.64 -0.79 -1.21 -0.57 0.00 0.00 179.45 177.94 2gbv s GLU 24 N -3.36 0.93 0.39 3.15 0.41 -1.26 -5.06 118.70 113.90 2gbv s GLU 24 Ca -0.00 -0.45 0.06 0.00 -0.41 0.00 0.00 54.97 54.17 2gbv s GLU 24 Cb 0.11 -0.90 0.80 0.00 -1.78 0.00 0.00 34.13 32.36 2gbv s GLU 24 CO 0.76 0.24 2.04 0.66 -0.49 0.00 0.00 175.26 178.47 2gbv h SER 25 N 5.76 0.53 -0.93 -0.19 4.64 -1.98 0.58 113.55 121.97 2gbv h SER 25 Ca -0.33 -0.02 -0.45 0.00 -0.47 0.00 0.00 61.79 60.52 2gbv h SER 25 Cb 1.17 -0.13 -0.27 0.00 -0.31 0.00 0.00 62.40 62.86 2gbv h SER 25 CO 0.49 0.39 0.57 -0.46 -0.87 0.00 0.00 176.83 176.95 2gbv n ASN 26 N -4.46 3.94 -4.66 4.97 6.94 -1.26 -4.94 115.26 115.79 2gbv n ASN 26 Ca 0.04 -3.49 -0.29 0.00 -0.02 0.00 0.00 54.58 50.81 2gbv n ASN 26 Cb 0.06 -0.81 -0.10 0.00 -2.36 0.00 0.00 39.78 36.57 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 -1.18 2.67 0.57 4.83 0.00 0.19 -5.12 107.32 109.28 2gbv s GLY 27 Ca 0.55 -1.69 -0.18 0.00 0.00 0.00 0.00 44.72 43.40 2gbv s GLY 27 CO 0.11 -2.12 1.13 -4.14 0.00 0.00 0.00 173.10 168.08 2gbv s PRO 28 N -3.77 3.20 -0.25 2.90 0.02 -1.26 -4.85 135.00 130.99 2gbv s PRO 28 Ca 0.26 1.59 -0.07 0.00 0.02 0.00 0.00 61.00 62.79 2gbv s PRO 28 Cb 0.07 -1.99 -0.03 0.00 0.02 0.00 0.00 34.50 32.58 2gbv s PRO 28 CO 0.13 -0.97 0.08 0.08 -0.33 0.00 0.00 177.00 175.99 2gbv s VAL 29 N -1.87 4.37 0.03 3.83 1.01 0.04 -4.32 120.40 123.50 2gbv s VAL 29 Ca 0.72 -0.15 -0.27 0.00 0.00 0.00 0.00 61.98 62.28 2gbv s VAL 29 Cb -0.24 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 2gbv s VAL 29 CO 0.31 0.34 0.83 -0.54 0.00 0.00 0.00 175.10 176.03 2gbv s LYS 30 N 1.58 4.54 -0.12 2.72 1.02 -0.04 -1.26 119.74 128.17 2gbv s LYS 30 Ca 0.06 1.17 0.01 0.00 0.02 0.00 0.00 55.97 57.23 2gbv s LYS 30 Cb -0.15 -3.40 0.02 0.00 -0.52 0.00 0.00 37.83 33.78 2gbv s LYS 30 CO 0.04 0.17 -0.14 0.08 -0.92 0.00 0.00 175.35 174.58 2gbv s VAL 31 N 0.29 1.48 0.17 3.17 1.01 0.11 -0.81 120.40 125.81 2gbv s VAL 31 Ca 0.42 -0.60 -0.18 0.00 0.00 0.00 0.00 61.98 61.62 2gbv s VAL 31 Cb -0.21 -1.38 0.04 0.00 0.00 0.00 0.00 36.38 34.83 2gbv s VAL 31 CO 0.24 0.44 0.50 -1.66 0.00 0.00 0.00 175.10 174.62 2gbv s TRP 32 N 1.25 -0.22 -5.00 5.22 -2.14 -0.39 -0.31 118.94 117.35 2gbv s TRP 32 Ca -0.01 -0.09 0.00 0.00 2.66 0.00 0.00 56.10 58.66 2gbv s TRP 32 Cb -0.14 0.38 0.00 0.00 -3.10 0.00 0.00 33.47 30.61 2gbv s TRP 32 CO -0.06 -0.83 0.00 0.41 -2.66 0.00 0.00 176.95 173.81 2gbv n GLY 33 N -0.31 0.32 2.98 3.67 0.00 -1.09 0.76 105.19 111.52 2gbv n GLY 33 Ca -0.13 -1.47 -0.13 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.12 -0.07 1.61 0.15 -0.88 -0.50 113.70 109.89 2gbv s SER 34 Ca 0.00 0.26 0.04 0.00 0.70 0.00 0.00 55.95 56.95 2gbv s SER 34 Cb 0.00 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 2gbv s SER 34 CO 0.00 -0.07 -0.20 -0.63 1.20 0.00 0.00 173.24 173.54 2gbv s ILE 35 N 0.36 1.68 0.38 6.45 1.01 -0.24 -1.91 121.20 128.93 2gbv s ILE 35 Ca -0.02 -0.82 0.08 0.00 0.00 0.00 0.00 60.65 59.89 2gbv s ILE 35 Cb -0.04 -1.46 -0.07 0.00 0.01 0.00 0.00 42.46 40.91 2gbv s ILE 35 CO -0.01 0.48 0.02 -1.59 0.00 0.00 0.00 174.94 173.83 2gbv s LYS 36 N 0.29 2.00 0.00 2.79 -2.85 0.44 0.12 119.74 122.52 2gbv s LYS 36 Ca -0.12 -1.95 0.00 0.00 -1.00 0.00 0.00 55.97 52.89 2gbv s LYS 36 Cb -0.15 -1.77 0.00 0.00 -2.06 0.00 0.00 37.83 33.84 2gbv s LYS 36 CO 0.05 0.02 0.00 0.41 0.10 0.00 0.00 175.35 175.93 2gbv n GLY 37 N -0.97 0.61 3.88 0.59 0.00 -0.98 -2.15 105.19 106.17 2gbv n GLY 37 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 3.96 0.56 0.99 1.43 -0.70 -4.31 118.68 120.62 2gbv s LEU 38 Ca 0.00 0.97 -0.18 0.00 -1.03 0.00 0.00 54.13 53.89 2gbv s LEU 38 Cb 0.00 -3.81 -0.05 0.00 0.03 0.00 0.00 46.19 42.36 2gbv s LEU 38 CO 0.00 -0.28 1.11 0.42 0.23 0.00 0.00 176.35 177.83 2gbv s THR 39 N -2.18 3.28 0.41 5.49 -4.23 -1.26 -4.04 115.64 113.11 2gbv s THR 39 Ca 0.48 0.74 -0.27 0.00 -1.18 0.00 0.00 61.69 61.47 2gbv s THR 39 Cb -0.11 -3.27 -0.10 0.00 1.34 0.00 0.00 72.50 70.36 2gbv s THR 39 CO 0.29 -0.23 1.47 1.21 -0.54 0.00 0.00 174.62 176.82 2gbv n GLU 40 N -1.55 2.51 0.00 3.99 2.13 -1.26 -4.58 120.64 121.87 2gbv n GLU 40 Ca 0.11 0.88 0.00 0.00 0.66 0.00 0.00 57.16 58.81 2gbv n GLU 40 Cb 0.51 -2.66 0.00 0.00 0.27 0.00 0.00 31.44 29.56 2gbv n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2gbv n GLY 41 N 0.50 -1.20 3.76 8.31 0.00 -0.15 -4.90 105.19 111.51 2gbv n GLY 41 Ca 0.03 -2.09 -0.39 0.00 0.00 0.00 0.00 46.02 43.56 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 4.50 -0.03 0.99 1.43 -1.26 -1.11 118.68 123.20 2gbv s LEU 42 Ca 0.00 2.14 -0.00 0.00 -1.03 0.00 0.00 54.13 55.24 2gbv s LEU 42 Cb 0.00 -3.73 0.03 0.00 0.03 0.00 0.00 46.19 42.52 2gbv s LEU 42 CO 0.00 -0.12 0.02 -1.00 0.23 0.00 0.00 176.35 175.48 2gbv s HIS 43 N -1.27 0.19 0.38 0.29 3.76 0.45 -3.02 115.29 116.07 2gbv s HIS 43 Ca 0.46 0.08 -0.25 0.00 -0.15 0.00 0.00 55.06 55.20 2gbv s HIS 43 Cb -0.28 -0.38 -0.12 0.00 1.11 0.00 0.00 32.58 32.90 2gbv s HIS 43 CO 0.36 -0.14 0.94 0.41 -0.85 0.00 0.00 174.74 175.46 2gbv n GLY 44 N 4.41 -0.42 2.72 -2.22 0.00 -0.30 -0.96 105.19 108.42 2gbv n GLY 44 Ca -0.22 0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.24 -0.24 0.03 1.61 5.36 -0.48 -0.32 117.98 122.71 2gbv s PHE 45 Ca 0.62 -0.09 0.00 0.00 -0.96 0.00 0.00 56.93 56.50 2gbv s PHE 45 Cb -0.61 -0.48 -0.03 0.00 -0.34 0.00 0.00 43.02 41.56 2gbv s PHE 45 CO 0.58 -0.74 -0.04 -1.01 -1.46 0.00 0.00 175.22 172.55 2gbv s HIS 46 N 2.30 0.38 -0.24 10.12 3.76 -0.70 -2.88 115.29 128.03 2gbv s HIS 46 Ca 0.08 -0.66 -0.19 0.00 -0.15 0.00 0.00 55.06 54.14 2gbv s HIS 46 Cb -0.15 -0.27 -0.03 0.00 1.11 0.00 0.00 32.58 33.25 2gbv s HIS 46 CO -0.23 -0.22 0.56 0.08 -0.85 0.00 0.00 174.74 174.08 2gbv s VAL 47 N -2.09 5.05 0.32 -0.90 1.01 -0.44 -0.68 120.40 122.67 2gbv s VAL 47 Ca -0.09 0.99 0.03 0.00 0.00 0.00 0.00 61.98 62.91 2gbv s VAL 47 Cb -0.05 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 2gbv s VAL 47 CO -0.03 0.08 0.48 -1.00 0.00 0.00 0.00 175.10 174.64 2gbv s HIS 48 N 2.23 3.36 0.13 5.22 3.76 0.18 -0.42 115.29 129.75 2gbv s HIS 48 Ca 0.24 0.09 -0.14 0.00 -0.15 0.00 0.00 55.06 55.09 2gbv s HIS 48 Cb -0.16 -1.86 -0.02 0.00 1.11 0.00 0.00 32.58 31.65 2gbv s HIS 48 CO 0.09 0.13 1.56 1.49 -0.85 0.00 0.00 174.74 177.16 2gbv h GLU 49 N 0.87 0.73 -5.99 1.40 4.81 -0.53 -2.80 114.58 113.09 2gbv h GLU 49 Ca -0.49 -0.25 -0.68 0.00 -0.13 0.00 0.00 59.36 57.81 2gbv h GLU 49 Cb 1.24 -0.06 -0.18 0.00 0.63 0.00 0.00 28.75 30.37 2gbv h GLU 49 CO 0.59 0.83 -0.67 -0.06 -0.73 0.00 0.00 179.01 178.97 2gbv s PHE 50 N -4.93 3.01 -0.32 0.92 0.08 -0.05 -4.70 117.98 111.99 2gbv s PHE 50 Ca -0.13 0.03 -0.03 0.00 0.12 0.00 0.00 56.93 56.92 2gbv s PHE 50 Cb 0.10 -1.76 0.03 0.00 -0.57 0.00 0.00 43.02 40.82 2gbv s PHE 50 CO 0.80 0.32 2.73 0.41 -0.10 0.00 0.00 175.22 179.39 2gbv n GLY 51 N 2.36 3.96 3.34 4.36 0.00 -0.97 -3.53 105.19 114.71 2gbv n GLY 51 Ca -0.18 -1.50 -0.40 0.00 0.00 0.00 0.00 46.02 43.94 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 0.70 5.61 -0.21 1.61 -1.08 -1.26 -4.94 116.67 117.09 2gbv s ASP 52 Ca 0.52 -1.04 0.15 0.00 -0.52 0.00 0.00 52.55 51.66 2gbv s ASP 52 Cb 0.32 -1.98 0.66 0.00 -1.46 0.00 0.00 42.92 40.46 2gbv s ASP 52 CO -0.12 -0.37 1.57 -3.20 0.52 0.00 0.00 175.17 173.57 2gbv n ASN 53 N 4.94 4.65 -0.08 -0.34 2.85 -1.26 -3.23 115.26 122.79 2gbv n ASN 53 Ca -0.12 -3.01 -0.02 0.00 -0.11 0.00 0.00 54.58 51.32 2gbv n ASN 53 Cb 0.46 -0.61 0.23 0.00 1.24 0.00 0.00 39.78 41.09 2gbv n ASN 53 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 2gbv h THR 54 N 2.70 1.22 -0.65 -0.44 1.35 -1.93 -2.15 112.91 113.01 2gbv h THR 54 Ca 0.01 -0.82 -0.43 0.00 -0.55 0.00 0.00 66.41 64.63 2gbv h THR 54 Cb 1.70 0.80 -0.27 0.00 -1.73 0.00 0.00 68.15 68.65 2gbv h THR 54 CO 0.36 0.29 -0.13 0.00 -0.25 0.00 0.00 175.52 175.79 2gbv n ALA 55 N -2.47 5.06 -0.89 6.62 0.00 -1.26 -5.05 120.51 122.51 2gbv n ALA 55 Ca 0.03 -3.46 0.00 0.00 0.00 0.00 0.00 53.44 50.01 2gbv n ALA 55 Cb 0.24 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.93 0.89 0.30 0.00 0.00 -0.81 -3.07 105.19 101.57 2gbv n GLY 56 Ca 0.44 -0.65 0.15 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.89 1.66 -0.96 4.61 0.00 -1.87 -2.91 119.26 118.89 2gbv h ALA 57 Ca 0.00 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.97 2gbv h ALA 57 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 2gbv h ALA 57 CO 0.00 -0.06 0.63 1.15 0.00 0.00 0.00 179.25 180.96 2gbv h THR 58 N 0.00 1.10 0.00 0.00 2.02 -1.87 -1.49 112.91 112.68 2gbv h THR 58 Ca 0.02 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.81 2gbv h THR 58 Cb 0.11 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.38 2gbv h THR 58 CO -0.00 0.21 0.00 -1.54 0.37 0.00 0.00 175.52 174.56 2gbv n SER 59 N -4.48 0.00 0.00 4.18 3.41 -1.10 -3.54 113.62 112.09 2gbv n SER 59 Ca 0.14 -0.60 0.13 0.00 -0.26 0.00 0.00 58.87 58.28 2gbv n SER 59 Cb 0.16 -0.05 0.60 0.00 -0.26 0.00 0.00 64.21 64.67 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 -1.05 2.25 -0.37 7.33 0.00 -0.56 -4.39 120.51 123.72 2gbv n ALA 60 Ca 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2gbv n ALA 60 Cb 0.10 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 1.08 -1.01 3.95 0.00 0.00 -1.23 -0.87 105.19 107.11 2gbv n GLY 61 Ca 0.09 -1.18 -0.29 0.00 0.00 0.00 0.00 46.02 44.63 2gbv n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gbv s PRO 62 N 0.00 0.47 0.35 1.61 0.04 -1.26 -4.56 135.00 131.65 2gbv s PRO 62 Ca 0.00 -0.62 -0.28 0.00 0.04 0.00 0.00 61.00 60.14 2gbv s PRO 62 Cb 0.00 -1.88 -0.12 0.00 0.04 0.00 0.00 34.50 32.54 2gbv s PRO 62 CO 0.00 -2.49 1.29 0.72 0.04 0.00 0.00 177.00 176.56 2gbv n HIS 63 N -3.76 2.27 -1.90 0.56 8.25 -1.26 -0.69 115.22 118.69 2gbv n HIS 63 Ca 0.17 0.54 -0.42 0.00 -0.26 0.00 0.00 57.72 57.75 2gbv n HIS 63 Cb 0.59 -2.41 -0.03 0.00 1.12 0.00 0.00 29.99 29.26 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 -1.11 1.81 -0.40 4.41 5.36 0.44 -4.56 117.98 123.94 2gbv s PHE 64 Ca 0.56 0.00 0.10 0.00 -0.96 0.00 0.00 56.93 56.63 2gbv s PHE 64 Cb -0.56 -4.02 0.33 0.00 -0.34 0.00 0.00 43.02 38.43 2gbv s PHE 64 CO 0.62 -4.39 0.81 -1.71 -1.46 0.00 0.00 175.22 169.10 2gbv n ASN 65 N 7.09 -0.13 0.30 6.13 5.15 -1.26 -1.46 115.26 131.09 2gbv n ASN 65 Ca 0.18 -3.17 0.20 0.00 -0.60 0.00 0.00 54.58 51.19 2gbv n ASN 65 Cb 0.42 0.09 0.91 0.00 -0.53 0.00 0.00 39.78 40.67 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 3.11 0.00 -0.70 1.20 0.13 -1.98 -2.46 132.00 131.30 2gbv h PRO 66 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2gbv h PRO 66 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2gbv h PRO 66 CO 0.40 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.45 2gbv n LEU 67 N -3.08 3.90 -3.74 1.56 4.77 -1.26 -4.99 117.00 114.16 2gbv n LEU 67 Ca -0.01 -1.96 -0.24 0.00 -0.03 0.00 0.00 56.01 53.78 2gbv n LEU 67 Cb 0.21 -0.46 0.02 0.00 -2.33 0.00 0.00 43.42 40.85 2gbv n LEU 67 CO 0.24 0.96 -0.11 -1.20 -1.33 0.00 0.00 177.39 175.96 2gbv n SER 68 N 1.62 -1.98 -4.88 -1.43 7.64 -0.93 -4.99 113.62 108.67 2gbv n SER 68 Ca 0.24 -0.90 -0.23 0.00 1.01 0.00 0.00 58.87 58.99 2gbv n SER 68 Cb 0.62 -3.73 -0.02 0.00 -1.01 0.00 0.00 64.21 60.06 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 -6.04 2.41 0.56 1.43 0.52 -1.26 -5.13 118.95 111.43 2gbv s ARG 69 Ca 0.11 -1.71 -0.08 0.00 -0.52 0.00 0.00 55.73 53.53 2gbv s ARG 69 Cb -0.03 -2.28 -0.03 0.00 0.52 0.00 0.00 34.95 33.13 2gbv s ARG 69 CO 0.84 -0.35 0.91 0.15 0.02 0.00 0.00 175.30 176.87 2gbv s LYS 70 N -4.18 3.52 0.43 3.54 1.02 -1.26 -4.72 119.74 118.09 2gbv s LYS 70 Ca 0.44 0.45 -0.25 0.00 0.02 0.00 0.00 55.97 56.64 2gbv s LYS 70 Cb -0.02 -2.23 -0.08 0.00 -0.52 0.00 0.00 37.83 34.98 2gbv s LYS 70 CO 0.26 -0.42 1.27 -1.58 -0.92 0.00 0.00 175.35 173.96 2gbv s HIS 71 N -2.97 2.79 0.18 3.18 5.65 0.16 -3.25 115.29 121.02 2gbv s HIS 71 Ca 0.51 1.45 -0.04 0.00 0.25 0.00 0.00 55.06 57.23 2gbv s HIS 71 Cb -0.11 -3.60 0.02 0.00 -1.18 0.00 0.00 32.58 27.71 2gbv s HIS 71 CO 0.49 -1.99 0.31 0.41 -0.65 0.00 0.00 174.74 173.31 2gbv n GLY 72 N 0.63 2.00 3.90 1.59 0.00 -1.25 -4.43 105.19 107.63 2gbv n GLY 72 Ca 0.05 -1.28 -0.29 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.98 1.62 0.55 -0.02 0.00 -1.15 -4.69 107.32 101.64 2gbv s GLY 73 Ca 0.10 -0.52 0.22 0.00 0.00 0.00 0.00 44.72 44.52 2gbv s GLY 73 CO 0.07 -0.14 2.18 -0.56 0.00 0.00 0.00 173.10 174.66 2gbv h PRO 74 N -0.67 0.00 -0.00 2.90 0.13 -1.84 -2.07 132.00 130.44 2gbv h PRO 74 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2gbv h PRO 74 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2gbv h PRO 74 CO 0.64 0.02 -0.08 1.63 -0.23 0.00 0.00 178.00 179.97 2gbv n LYS 75 N -4.20 0.11 -2.98 0.86 5.02 -1.26 -4.89 118.16 110.82 2gbv n LYS 75 Ca -0.03 -0.02 -0.37 0.00 -2.02 0.00 0.00 58.31 55.88 2gbv n LYS 75 Cb 0.10 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.55 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 -2.90 7.20 0.18 4.39 1.01 -0.78 -4.98 116.67 120.79 2gbv s ASP 76 Ca 0.17 1.58 -0.04 0.00 0.71 0.00 0.00 52.55 54.97 2gbv s ASP 76 Cb 0.19 -2.48 0.09 0.00 1.01 0.00 0.00 42.92 41.73 2gbv s ASP 76 CO 0.54 0.03 1.50 -0.08 0.21 0.00 0.00 175.17 177.37 2gbv h GLU 77 N 3.48 0.60 -5.74 8.23 4.57 -1.90 -3.37 114.58 120.46 2gbv h GLU 77 Ca -0.47 -0.37 -0.61 0.00 -1.18 0.00 0.00 59.36 56.73 2gbv h GLU 77 Cb 1.19 0.04 -0.12 0.00 -0.16 0.00 0.00 28.75 29.70 2gbv h GLU 77 CO 0.65 0.98 0.84 -2.00 -1.18 0.00 0.00 179.01 178.31 2gbv s GLU 78 N -4.03 3.25 0.17 1.92 2.56 -1.26 -4.94 118.70 116.37 2gbv s GLU 78 Ca -0.08 -0.81 -0.20 0.00 0.00 0.00 0.00 54.97 53.89 2gbv s GLU 78 Cb 0.11 -4.44 0.05 0.00 2.00 0.00 0.00 34.13 31.85 2gbv s GLU 78 CO 0.85 -1.96 0.53 -0.98 -0.56 0.00 0.00 175.26 173.14 2gbv s ARG 79 N 4.49 1.28 0.47 4.30 1.70 -1.20 -3.81 118.95 126.17 2gbv s ARG 79 Ca 0.30 -0.67 -0.21 0.00 -0.47 0.00 0.00 55.73 54.69 2gbv s ARG 79 Cb -0.11 0.54 -0.09 0.00 -0.57 0.00 0.00 34.95 34.72 2gbv s ARG 79 CO 0.07 -0.54 1.01 -1.01 -1.08 0.00 0.00 175.30 173.75 2gbv s HIS 80 N -3.81 3.10 0.30 5.89 3.76 -1.22 -4.72 115.29 118.60 2gbv s HIS 80 Ca 0.04 1.59 0.04 0.00 -0.15 0.00 0.00 55.06 56.58 2gbv s HIS 80 Cb -0.01 -3.00 0.64 0.00 1.11 0.00 0.00 32.58 31.32 2gbv s HIS 80 CO -0.09 -0.60 1.82 0.28 -0.85 0.00 0.00 174.74 175.30 2gbv h VAL 81 N 1.69 0.85 0.00 -0.90 2.07 -1.80 -1.89 116.25 116.27 2gbv h VAL 81 Ca -0.49 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.72 2gbv h VAL 81 Cb 1.21 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2gbv h VAL 81 CO 0.60 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.96 2gbv n GLY 82 N -1.35 -0.83 3.56 2.17 0.00 -0.53 -4.52 105.19 103.68 2gbv n GLY 82 Ca 0.20 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.87 6.54 0.00 1.61 1.01 -0.71 -1.32 116.67 121.92 2gbv s ASP 83 Ca 0.34 -1.56 0.27 0.00 0.71 0.00 0.00 52.55 52.30 2gbv s ASP 83 Cb 0.15 -2.57 0.84 0.00 1.01 0.00 0.00 42.92 42.36 2gbv s ASP 83 CO 0.26 -1.47 1.62 0.18 0.21 0.00 0.00 175.17 175.97 2gbv n LEU 84 N 8.82 1.41 0.00 1.23 4.77 -1.14 -3.63 117.00 128.46 2gbv n LEU 84 Ca 0.35 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 2gbv n LEU 84 Cb 0.50 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2gbv n LEU 84 CO 0.67 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 2gbv n GLY 85 N 1.26 0.73 3.39 -0.72 0.00 -1.20 -4.72 105.19 103.94 2gbv n GLY 85 Ca 0.16 -1.10 -0.21 0.00 0.00 0.00 0.00 46.02 44.86 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 2.98 0.20 1.61 0.01 -1.26 -1.38 114.94 113.10 2gbv s ASN 86 Ca 0.00 -0.98 0.11 0.00 -0.71 0.00 0.00 52.86 51.28 2gbv s ASN 86 Cb 0.00 -0.20 -0.04 0.00 0.41 0.00 0.00 41.25 41.41 2gbv s ASN 86 CO 0.00 -0.06 -0.19 0.68 -1.51 0.00 0.00 177.10 176.02 2gbv s VAL 87 N -2.56 2.60 -0.17 1.60 -7.23 -0.13 -4.88 120.40 109.62 2gbv s VAL 87 Ca 0.23 -1.99 -0.00 0.00 -1.81 0.00 0.00 61.98 58.41 2gbv s VAL 87 Cb -0.04 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.63 2gbv s VAL 87 CO 0.10 -0.16 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.69 2gbv s THR 88 N -1.81 2.58 -0.04 5.32 2.01 -1.26 -0.41 115.64 122.04 2gbv s THR 88 Ca 0.23 -0.78 -0.13 0.00 0.31 0.00 0.00 61.69 61.32 2gbv s THR 88 Cb -0.08 -2.10 -0.05 0.00 0.01 0.00 0.00 72.50 70.28 2gbv s THR 88 CO 0.12 0.51 0.34 0.00 -0.69 0.00 0.00 174.62 174.90 2gbv s ALA 89 N 1.04 3.73 1.01 7.40 0.00 -0.27 -4.27 121.76 130.40 2gbv s ALA 89 Ca -0.01 -0.33 -0.08 0.00 0.00 0.00 0.00 51.96 51.54 2gbv s ALA 89 Cb -0.15 -2.30 0.11 0.00 0.00 0.00 0.00 23.12 20.79 2gbv s ALA 89 CO -0.04 0.47 0.62 -0.40 0.00 0.00 0.00 175.76 176.42 2gbv n ASP 90 N 2.02 -0.11 0.28 0.00 5.68 0.47 -0.98 116.55 123.92 2gbv n ASP 90 Ca -0.15 -1.19 0.15 0.00 -0.50 0.00 0.00 54.79 53.10 2gbv n ASP 90 Cb 0.53 -0.48 0.85 0.00 -1.14 0.00 0.00 41.12 40.88 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 -0.19 0.11 2.10 -1.97 -0.46 116.57 116.16 2gbv h LYS 91 Ca -0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.45 2gbv h LYS 91 Cb 0.57 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.90 2gbv h LYS 91 CO 0.14 0.05 0.00 -0.25 -2.00 0.00 0.00 179.45 177.40 2gbv n ASP 92 N -3.68 1.53 -0.03 7.07 8.00 -1.26 -4.86 116.55 123.32 2gbv n ASP 92 Ca -0.02 -1.76 -0.00 0.00 0.71 0.00 0.00 54.79 53.71 2gbv n ASP 92 Cb 0.16 -0.12 -0.00 0.00 -0.02 0.00 0.00 41.12 41.13 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 1.07 0.43 3.60 0.44 0.00 -0.18 -4.71 105.19 105.83 2gbv n GLY 93 Ca 0.15 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.01 4.87 -0.44 1.61 1.01 -1.26 -1.72 120.40 122.46 2gbv s VAL 94 Ca 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.85 2gbv s VAL 94 Cb 0.00 -3.24 0.06 0.00 0.00 0.00 0.00 36.38 33.20 2gbv s VAL 94 CO 0.00 0.39 0.34 0.00 0.00 0.00 0.00 175.10 175.82 2gbv s ALA 95 N 0.92 3.46 -1.03 5.51 0.00 0.12 -0.40 121.76 130.34 2gbv s ALA 95 Ca 0.05 -2.05 -0.20 0.00 0.00 0.00 0.00 51.96 49.77 2gbv s ALA 95 Cb -0.14 -2.91 0.10 0.00 0.00 0.00 0.00 23.12 20.17 2gbv s ALA 95 CO 0.03 -1.65 1.35 -0.51 0.00 0.00 0.00 175.76 174.97 2gbv s ASP 96 N 2.30 6.65 0.18 0.00 1.01 -1.26 -1.08 116.67 124.47 2gbv s ASP 96 Ca 0.04 -1.98 -0.30 0.00 0.71 0.00 0.00 52.55 51.02 2gbv s ASP 96 Cb -0.23 -2.48 -0.08 0.00 1.01 0.00 0.00 42.92 41.14 2gbv s ASP 96 CO 0.06 -1.20 1.22 -0.69 0.21 0.00 0.00 175.17 174.77 2gbv s VAL 97 N 3.56 3.53 -0.28 -1.27 1.01 0.35 -4.92 120.40 122.39 2gbv s VAL 97 Ca 0.41 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.65 2gbv s VAL 97 Cb -0.02 -3.81 0.14 0.00 0.00 0.00 0.00 36.38 32.70 2gbv s VAL 97 CO -0.07 0.19 0.36 -0.55 0.00 0.00 0.00 175.10 175.03 2gbv s SER 98 N 0.27 0.78 0.03 3.32 0.15 -1.25 -2.69 113.70 114.31 2gbv s SER 98 Ca 0.54 -0.37 0.05 0.00 0.70 0.00 0.00 55.95 56.87 2gbv s SER 98 Cb -0.33 0.90 -0.02 0.00 -1.71 0.00 0.00 66.02 64.86 2gbv s SER 98 CO 0.36 -0.35 -0.13 -0.63 1.20 0.00 0.00 173.24 173.68 2gbv s ILE 99 N 2.48 1.06 -0.15 6.45 1.01 0.58 -5.01 121.20 127.62 2gbv s ILE 99 Ca 0.10 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.83 2gbv s ILE 99 Cb -0.14 -0.96 0.02 0.00 0.01 0.00 0.00 42.46 41.40 2gbv s ILE 99 CO -0.27 0.03 -0.15 -0.70 0.00 0.00 0.00 174.94 173.84 2gbv s GLU 100 N -1.03 2.37 -0.11 2.79 2.12 -1.26 0.04 118.70 123.62 2gbv s GLU 100 Ca 0.02 -0.59 0.04 0.00 0.36 0.00 0.00 54.97 54.79 2gbv s GLU 100 Cb -0.07 -2.13 0.00 0.00 0.26 0.00 0.00 34.13 32.19 2gbv s GLU 100 CO 0.01 -0.21 -0.23 0.34 -0.54 0.00 0.00 175.26 174.63 2gbv s ASP 101 N 1.40 3.12 0.00 -1.70 2.15 -0.39 -4.96 116.67 116.29 2gbv s ASP 101 Ca 0.03 -0.56 0.26 0.00 0.43 0.00 0.00 52.55 52.71 2gbv s ASP 101 Cb -0.13 -1.42 0.73 0.00 -0.30 0.00 0.00 42.92 41.80 2gbv s ASP 101 CO -0.10 0.14 1.57 -1.54 -0.17 0.00 0.00 175.17 175.07 2gbv n SER 102 N 3.64 2.06 -0.11 -0.34 3.41 -1.26 -0.78 113.62 120.23 2gbv n SER 102 Ca -0.19 -1.69 -0.19 0.00 -0.26 0.00 0.00 58.87 56.54 2gbv n SER 102 Cb 0.53 -0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 64.37 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 0.61 1.26 -1.28 -3.33 0.31 -1.26 -4.83 118.33 109.81 2gbv n VAL 103 Ca 0.17 -0.43 -0.31 0.00 -0.01 0.00 0.00 64.34 63.77 2gbv n VAL 103 Cb 0.44 -1.46 0.10 0.00 -0.91 0.00 0.00 33.84 32.01 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 -2.43 3.28 0.05 2.52 -4.36 -1.26 -5.05 121.20 113.94 2gbv s ILE 104 Ca -0.31 0.42 -0.10 0.00 -0.26 0.00 0.00 60.65 60.40 2gbv s ILE 104 Cb 0.09 -2.92 0.01 0.00 1.25 0.00 0.00 42.46 40.89 2gbv s ILE 104 CO 0.47 -0.54 0.22 -0.55 0.24 0.00 0.00 174.94 174.78 2gbv s SER 105 N -3.43 0.01 0.00 4.36 0.15 -1.26 -4.63 113.70 108.89 2gbv s SER 105 Ca 0.61 -0.37 0.21 0.00 0.70 0.00 0.00 55.95 57.10 2gbv s SER 105 Cb -0.17 0.31 0.24 0.00 -1.71 0.00 0.00 66.02 64.69 2gbv s SER 105 CO 0.56 -0.59 1.22 0.18 1.20 0.00 0.00 173.24 175.81 2gbv n LEU 106 N 0.57 2.91 -4.11 3.45 4.77 -1.26 -1.14 117.00 122.20 2gbv n LEU 106 Ca -0.18 -1.19 -0.09 0.00 -0.03 0.00 0.00 56.01 54.53 2gbv n LEU 106 Cb 0.59 -0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 2gbv n LEU 106 CO 0.22 0.55 -0.37 -0.44 -1.33 0.00 0.00 177.39 176.02 2gbv s SER 107 N -1.59 0.69 0.00 -1.43 0.01 -1.26 -3.35 113.70 106.76 2gbv s SER 107 Ca 0.28 -0.95 0.00 0.00 1.31 0.00 0.00 55.95 56.59 2gbv s SER 107 Cb 0.18 0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.57 2gbv s SER 107 CO 0.27 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 174.01 2gbv n GLY 108 N 0.23 0.47 0.34 3.44 0.00 -1.26 -3.92 105.19 104.49 2gbv n GLY 108 Ca -0.15 -2.00 0.23 0.00 0.00 0.00 0.00 46.02 44.10 2gbv n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2gbv h ASP 109 N 0.00 0.00 -0.40 1.61 5.19 -2.01 -1.08 116.42 119.73 2gbv h ASP 109 Ca 0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2gbv h ASP 109 Cb 0.00 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 2gbv h ASP 109 CO 0.00 0.00 0.00 1.41 -3.12 0.00 0.00 179.24 177.53 2gbv n HIS 110 N -3.10 1.47 -1.72 4.55 8.25 -1.26 -5.04 115.22 118.36 2gbv n HIS 110 Ca -0.03 -0.82 -0.39 0.00 -0.26 0.00 0.00 57.72 56.22 2gbv n HIS 110 Cb 0.07 -0.41 0.03 0.00 1.12 0.00 0.00 29.99 30.81 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 -0.02 1.44 1.37 -1.41 0.00 -0.41 -4.55 120.51 116.92 2gbv n ALA 111 Ca 0.25 0.16 0.14 0.00 0.00 0.00 0.00 53.44 53.99 2gbv n ALA 111 Cb 1.04 -2.32 0.58 0.00 0.00 0.00 0.00 19.45 18.75 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 -0.80 0.00 -1.70 0.00 -5.35 -0.29 -4.87 119.36 106.34 2gbv n ILE 112 Ca 0.09 -0.06 -0.43 0.00 -0.27 0.00 0.00 62.75 62.08 2gbv n ILE 112 Cb 0.43 -0.05 -0.03 0.00 -1.74 0.00 0.00 39.64 38.25 2gbv n ILE 112 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 2gbv n ILE 113 N -0.95 0.11 -0.85 7.28 2.08 -1.26 -1.92 119.36 123.85 2gbv n ILE 113 Ca 0.14 -0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.43 2gbv n ILE 113 Cb 0.29 -1.96 0.00 0.00 -0.75 0.00 0.00 39.64 37.22 2gbv n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2gbv n GLY 114 N 3.97 0.59 3.72 7.39 0.00 0.05 -5.01 105.19 115.90 2gbv n GLY 114 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.81 0.71 -4.47 1.61 1.74 -0.81 -2.29 116.66 110.35 2gbv n ARG 115 Ca 0.00 -3.45 -0.34 0.00 -0.77 0.00 0.00 57.85 53.29 2gbv n ARG 115 Cb 0.00 0.50 -0.14 0.00 -1.02 0.00 0.00 32.46 31.80 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 -2.72 3.35 -0.04 0.55 2.01 -1.06 -0.07 115.64 117.66 2gbv s THR 116 Ca 0.24 -0.54 -0.26 0.00 0.31 0.00 0.00 61.69 61.44 2gbv s THR 116 Cb -0.02 -2.45 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 2gbv s THR 116 CO 0.15 0.49 0.81 -0.22 -0.69 0.00 0.00 174.62 175.16 2gbv s LEU 117 N 0.62 4.33 -0.05 4.42 2.96 -0.24 0.49 118.68 131.21 2gbv s LEU 117 Ca -0.05 1.37 0.04 0.00 -0.22 0.00 0.00 54.13 55.27 2gbv s LEU 117 Cb -0.15 -3.27 -0.00 0.00 0.50 0.00 0.00 46.19 43.27 2gbv s LEU 117 CO 0.03 -0.18 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.02 2gbv s VAL 118 N 0.91 1.41 -0.12 1.68 1.01 0.14 -1.52 120.40 123.91 2gbv s VAL 118 Ca 0.43 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 2gbv s VAL 118 Cb -0.19 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 2gbv s VAL 118 CO 0.22 0.41 0.00 0.54 0.00 0.00 0.00 175.10 176.27 2gbv s VAL 119 N 0.13 4.28 0.31 2.92 0.11 -0.71 -1.73 120.40 125.71 2gbv s VAL 119 Ca -0.06 -0.24 0.07 0.00 -2.93 0.00 0.00 61.98 58.82 2gbv s VAL 119 Cb -0.12 -2.84 -0.03 0.00 -1.53 0.00 0.00 36.38 31.86 2gbv s VAL 119 CO 0.03 0.55 0.27 -1.00 -3.33 0.00 0.00 175.10 171.61 2gbv s HIS 120 N -0.35 2.98 0.19 1.54 3.76 0.57 -1.22 115.29 122.76 2gbv s HIS 120 Ca 0.07 -0.24 -0.11 0.00 -0.15 0.00 0.00 55.06 54.63 2gbv s HIS 120 Cb -0.12 -1.67 0.21 0.00 1.11 0.00 0.00 32.58 32.10 2gbv s HIS 120 CO 0.02 0.29 1.76 1.49 -0.85 0.00 0.00 174.74 177.45 2gbv h GLU 121 N 1.32 0.41 0.00 1.40 4.81 -0.67 -3.37 114.58 118.48 2gbv h GLU 121 Ca -0.46 -0.02 -0.33 0.00 -0.13 0.00 0.00 59.36 58.42 2gbv h GLU 121 Cb 1.25 -0.09 -0.09 0.00 0.63 0.00 0.00 28.75 30.45 2gbv h GLU 121 CO 0.59 0.27 -0.32 0.36 -0.73 0.00 0.00 179.01 179.19 2gbv n LYS 122 N -4.96 0.30 -1.80 1.92 2.85 0.08 -4.92 118.16 111.63 2gbv n LYS 122 Ca 0.07 -2.26 -0.40 0.00 -1.05 0.00 0.00 58.31 54.67 2gbv n LYS 122 Cb 0.21 1.82 0.02 0.00 -0.65 0.00 0.00 35.03 36.43 2gbv n LYS 122 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2gbv s ALA 123 N -2.91 3.24 -0.18 0.58 0.00 -1.17 -1.15 121.76 120.19 2gbv s ALA 123 Ca 0.26 1.47 -0.27 0.00 0.00 0.00 0.00 51.96 53.42 2gbv s ALA 123 Cb 0.01 -3.59 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 2gbv s ALA 123 CO 0.19 -1.20 0.94 0.34 0.00 0.00 0.00 175.76 176.03 2gbv s ASP 124 N -0.50 7.07 0.00 0.00 -1.08 -1.26 -3.68 116.67 117.21 2gbv s ASP 124 Ca 0.61 1.32 0.22 0.00 -0.52 0.00 0.00 52.55 54.18 2gbv s ASP 124 Cb -0.44 -2.51 1.31 0.00 -1.46 0.00 0.00 42.92 39.83 2gbv s ASP 124 CO 0.56 -0.50 1.83 -0.90 0.52 0.00 0.00 175.17 176.69 2gbv n ASP 125 N 5.55 0.00 -1.86 -0.34 5.68 0.72 -4.90 116.55 121.41 2gbv n ASP 125 Ca 0.08 -1.28 -0.18 0.00 -0.50 0.00 0.00 54.79 52.91 2gbv n ASP 125 Cb 0.48 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.43 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 -0.85 -1.67 0.00 -2.12 4.77 -1.26 -1.89 117.00 113.97 2gbv n LEU 126 Ca 0.17 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 2gbv n LEU 126 Cb 0.08 -2.57 0.00 0.00 -2.33 0.00 0.00 43.42 38.59 2gbv n LEU 126 CO 0.12 -0.39 0.00 0.61 -1.33 0.00 0.00 177.39 176.40 2gbv n GLY 127 N -0.95 0.58 1.25 -0.72 0.00 -1.25 -2.94 105.19 101.16 2gbv n GLY 127 Ca -0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.84 3.62 0.06 1.61 5.02 -0.79 -4.56 118.16 120.28 2gbv n LYS 128 Ca 0.00 -2.90 0.12 0.00 -2.02 0.00 0.00 58.31 53.51 2gbv n LYS 128 Cb 0.00 -1.94 0.21 0.00 -0.02 0.00 0.00 35.03 33.27 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 0.06 -1.42 2.19 0.72 0.00 -1.26 -4.96 105.19 100.52 2gbv n GLY 129 Ca 0.23 -0.24 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 1.36 0.44 3.57 -0.02 0.00 -1.26 -4.98 105.19 104.29 2gbv n GLY 130 Ca 0.04 -0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.14 3.41 0.30 1.61 2.20 -1.26 -5.04 114.94 114.03 2gbv s ASN 131 Ca 0.00 -1.38 0.00 0.00 -0.94 0.00 0.00 52.86 50.54 2gbv s ASN 131 Cb 0.00 -0.27 0.48 0.00 -2.00 0.00 0.00 41.25 39.46 2gbv s ASN 131 CO 0.00 -0.52 1.88 -0.08 -2.94 0.00 0.00 177.10 175.44 2gbv h GLU 132 N 1.86 0.80 -0.66 3.55 4.81 -2.00 -2.29 114.58 120.65 2gbv h GLU 132 Ca -0.43 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 58.66 2gbv h GLU 132 Cb 1.24 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.46 2gbv h GLU 132 CO 0.77 0.68 0.37 1.49 -0.73 0.00 0.00 179.01 181.59 2gbv h GLU 133 N 0.78 0.90 -0.95 1.92 4.57 -1.99 -2.70 114.58 117.11 2gbv h GLU 133 Ca 0.18 -0.09 0.03 0.00 -1.18 0.00 0.00 59.36 58.31 2gbv h GLU 133 Cb 0.20 -0.18 -0.05 0.00 -0.16 0.00 0.00 28.75 28.55 2gbv h GLU 133 CO -0.01 0.65 0.62 1.03 -1.18 0.00 0.00 179.01 180.11 2gbv h SER 134 N 0.91 1.04 -0.33 1.04 0.87 -1.75 0.26 113.55 115.59 2gbv h SER 134 Ca 0.23 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2gbv h SER 134 Cb 0.00 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.72 2gbv h SER 134 CO -0.04 0.72 0.00 0.35 -0.53 0.00 0.00 176.83 177.33 2gbv n THR 135 N -4.47 0.43 -0.06 2.23 -2.24 -1.03 -1.93 114.28 107.21 2gbv n THR 135 Ca 0.12 -0.47 -0.11 0.00 -2.27 0.00 0.00 64.05 61.32 2gbv n THR 135 Cb 0.07 0.30 -0.04 0.00 -2.10 0.00 0.00 70.33 68.56 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 0.55 0.33 0.00 -0.78 5.02 -0.69 -0.67 118.16 121.93 2gbv n LYS 136 Ca 0.14 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 2gbv n LYS 136 Cb 0.33 -1.08 0.00 0.00 -0.02 0.00 0.00 35.03 34.26 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 -3.93 0.00 -1.06 -0.18 -2.24 0.83 -4.63 114.28 103.07 2gbv n THR 137 Ca -0.19 -0.43 -0.02 0.00 -2.27 0.00 0.00 64.05 61.14 2gbv n THR 137 Cb 0.50 1.02 -0.01 0.00 -2.10 0.00 0.00 70.33 69.74 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 0.74 0.52 3.40 3.38 0.00 -0.81 -3.67 105.19 108.76 2gbv n GLY 138 Ca 0.00 -0.24 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 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 0.09 -5.60 -0.06 1.61 3.02 -1.26 -0.20 115.26 112.87 2gbv n ASN 139 Ca -0.02 -0.47 0.14 0.00 -0.03 0.00 0.00 54.58 54.20 2gbv n ASN 139 Cb 0.18 -4.48 0.56 0.00 -0.61 0.00 0.00 39.78 35.42 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 -4.16 2.77 -0.15 5.41 0.00 -1.24 -4.71 120.51 118.43 2gbv n ALA 140 Ca -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2gbv n ALA 140 Cb 0.57 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 1.37 -0.77 3.71 0.00 0.00 -1.26 -0.74 105.19 107.50 2gbv n GLY 141 Ca 0.11 -1.16 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 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 3.10 -0.41 1.61 1.04 -1.26 -4.55 113.70 109.23 2gbv s SER 142 Ca 0.00 1.26 -0.18 0.00 0.48 0.00 0.00 55.95 57.52 2gbv s SER 142 Cb 0.00 -1.93 0.02 0.00 0.10 0.00 0.00 66.02 64.21 2gbv s SER 142 CO 0.00 -2.84 0.47 -0.13 0.98 0.00 0.00 173.24 171.72 2gbv s ARG 143 N -5.00 3.21 -0.02 4.02 0.52 -1.26 -0.52 118.95 119.90 2gbv s ARG 143 Ca 0.64 -0.61 -0.12 0.00 -0.52 0.00 0.00 55.73 55.12 2gbv s ARG 143 Cb -0.18 -3.94 -0.32 0.00 0.52 0.00 0.00 34.95 31.04 2gbv s ARG 143 CO 0.57 -0.83 0.78 -0.07 0.02 0.00 0.00 175.30 175.77 2gbv h LEU 144 N 9.13 0.68 -7.30 2.53 3.38 -1.47 -3.48 115.31 118.78 2gbv h LEU 144 Ca -0.27 -0.90 -0.08 0.00 0.09 0.00 0.00 57.88 56.72 2gbv h LEU 144 Cb 1.11 -0.22 -0.18 0.00 0.09 0.00 0.00 40.66 41.46 2gbv h LEU 144 CO 0.80 1.75 -0.06 0.00 0.09 0.00 0.00 178.44 181.01 2gbv s ALA 145 N -2.59 -1.17 0.01 1.53 0.00 -1.18 -4.24 121.76 114.12 2gbv s ALA 145 Ca -0.13 0.59 -0.15 0.00 0.00 0.00 0.00 51.96 52.27 2gbv s ALA 145 Cb 0.05 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.39 2gbv s ALA 145 CO 0.88 -0.39 0.31 0.00 0.00 0.00 0.00 175.76 176.56 2gbv s ALA 146 N -1.86 -0.75 -0.08 0.00 0.00 0.01 -1.74 121.76 117.33 2gbv s ALA 146 Ca -0.09 0.20 -0.11 0.00 0.00 0.00 0.00 51.96 51.95 2gbv s ALA 146 Cb -0.02 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.31 2gbv s ALA 146 CO 0.02 -0.33 0.29 0.20 0.00 0.00 0.00 175.76 175.95 2gbv s GLY 147 N -1.66 -0.19 0.17 0.00 0.00 -0.58 -1.18 107.32 103.88 2gbv s GLY 147 Ca -0.10 0.65 -0.30 0.00 0.00 0.00 0.00 44.72 44.97 2gbv s GLY 147 CO 0.01 0.51 1.22 0.14 0.00 0.00 0.00 173.10 174.98 2gbv s VAL 148 N -0.32 3.58 -0.32 1.40 1.01 -1.26 -1.08 120.40 123.40 2gbv s VAL 148 Ca -0.04 1.29 -0.28 0.00 0.00 0.00 0.00 61.98 62.95 2gbv s VAL 148 Cb -0.03 -3.82 0.01 0.00 0.00 0.00 0.00 36.38 32.54 2gbv s VAL 148 CO 0.01 0.18 1.00 -0.63 0.00 0.00 0.00 175.10 175.67 2gbv s ILE 149 N 0.17 4.57 0.22 2.22 1.01 0.89 -4.43 121.20 125.87 2gbv s ILE 149 Ca 0.55 1.58 0.09 0.00 0.00 0.00 0.00 60.65 62.87 2gbv s ILE 149 Cb -0.33 -4.36 -0.04 0.00 0.01 0.00 0.00 42.46 37.74 2gbv s ILE 149 CO 0.35 -0.44 -0.06 -0.83 0.00 0.00 0.00 174.94 173.97 2gbv s GLY 150 N 1.66 1.71 0.11 6.18 0.00 0.72 -0.77 107.32 116.94 2gbv s GLY 150 Ca 0.42 -1.57 -0.31 0.00 0.00 0.00 0.00 44.72 43.26 2gbv s GLY 150 CO 0.15 -1.61 1.44 -0.42 0.00 0.00 0.00 173.10 172.66 2gbv s ILE 151 N -2.02 3.19 0.22 0.90 1.01 -1.26 -0.94 121.20 122.30 2gbv s ILE 151 Ca 0.28 0.82 0.08 0.00 0.00 0.00 0.00 60.65 61.83 2gbv s ILE 151 Cb -0.08 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 2gbv s ILE 151 CO 0.17 0.05 0.06 0.00 0.00 0.00 0.00 174.94 175.23 2gbv s ALA 152 N 1.34 3.32 -2.03 9.38 0.00 -0.39 -4.82 121.76 128.56 2gbv s ALA 152 Ca 0.66 -1.46 0.32 0.00 0.00 0.00 0.00 51.96 51.48 2gbv s ALA 152 Cb -0.38 -1.03 1.86 0.00 0.00 0.00 0.00 23.12 23.57 2gbv s ALA 152 CO 0.30 0.35 2.20 0.94 0.00 0.00 0.00 175.76 179.56