#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 1.82 0.08 0.00 -1.32 -0.75 -5.00 115.64 110.47 2gbv s THR 2 Ca 0.00 -1.65 0.04 0.00 -1.21 0.00 0.00 61.69 58.87 2gbv s THR 2 Cb 0.00 -1.68 -0.03 0.00 -1.51 0.00 0.00 72.50 69.28 2gbv s THR 2 CO 0.00 -0.09 -0.12 -0.54 -2.21 0.00 0.00 174.62 171.66 2gbv s LYS 3 N -2.11 0.82 0.16 7.08 1.02 -1.26 -1.33 119.74 124.12 2gbv s LYS 3 Ca 0.09 -1.04 -0.04 0.00 0.02 0.00 0.00 55.97 55.00 2gbv s LYS 3 Cb -0.09 -0.66 -0.03 0.00 -0.52 0.00 0.00 37.83 36.53 2gbv s LYS 3 CO 0.05 0.13 0.17 0.00 -0.92 0.00 0.00 175.35 174.78 2gbv s ALA 4 N -1.82 0.57 -0.08 5.17 0.00 0.06 -1.31 121.76 124.36 2gbv s ALA 4 Ca 0.01 -1.29 -0.14 0.00 0.00 0.00 0.00 51.96 50.54 2gbv s ALA 4 Cb -0.07 0.98 0.03 0.00 0.00 0.00 0.00 23.12 24.06 2gbv s ALA 4 CO 0.01 -0.58 0.35 0.54 0.00 0.00 0.00 175.76 176.08 2gbv s VAL 5 N -4.04 0.03 -0.06 0.00 0.11 -0.12 -0.32 120.40 115.99 2gbv s VAL 5 Ca 0.25 -0.22 0.03 0.00 -2.93 0.00 0.00 61.98 59.10 2gbv s VAL 5 Cb 0.06 -0.57 0.01 0.00 -1.53 0.00 0.00 36.38 34.35 2gbv s VAL 5 CO 0.04 -0.12 -0.13 0.00 -3.33 0.00 0.00 175.10 171.55 2gbv s ALA 6 N -0.55 1.30 -0.35 1.54 0.00 0.10 -0.71 121.76 123.09 2gbv s ALA 6 Ca -0.07 -0.46 -0.12 0.00 0.00 0.00 0.00 51.96 51.32 2gbv s ALA 6 Cb -0.04 -0.56 -0.00 0.00 0.00 0.00 0.00 23.12 22.52 2gbv s ALA 6 CO 0.02 0.14 0.22 0.08 0.00 0.00 0.00 175.76 176.23 2gbv s VAL 7 N 0.57 4.99 -0.15 0.00 1.01 -1.26 -1.21 120.40 124.35 2gbv s VAL 7 Ca -0.13 -0.46 -0.23 0.00 0.00 0.00 0.00 61.98 61.16 2gbv s VAL 7 Cb -0.15 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2gbv s VAL 7 CO 0.04 -0.08 0.70 -0.76 0.00 0.00 0.00 175.10 175.00 2gbv s LEU 8 N 1.66 4.20 0.03 3.92 1.43 0.11 -3.89 118.68 126.15 2gbv s LEU 8 Ca 0.05 1.03 -0.02 0.00 -1.03 0.00 0.00 54.13 54.15 2gbv s LEU 8 Cb -0.18 -3.04 -0.02 0.00 0.03 0.00 0.00 46.19 42.98 2gbv s LEU 8 CO 0.09 -0.26 0.02 -0.54 0.23 0.00 0.00 176.35 175.89 2gbv s LYS 9 N 1.63 0.50 0.00 1.70 1.02 -0.34 -2.17 119.74 122.09 2gbv s LYS 9 Ca 0.34 -0.83 0.00 0.00 0.02 0.00 0.00 55.97 55.50 2gbv s LYS 9 Cb -0.17 0.19 0.00 0.00 -0.52 0.00 0.00 37.83 37.33 2gbv s LYS 9 CO 0.13 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.87 2gbv n GLY 10 N 0.87 3.30 0.18 -3.33 0.00 -1.24 -0.45 105.19 104.51 2gbv n GLY 10 Ca -0.19 -1.12 0.06 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.50 1.61 3.32 -1.92 -3.47 116.42 115.46 2gbv h ASP 11 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 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 0.35 0.00 0.61 -1.72 0.00 0.00 179.24 178.48 2gbv n GLY 12 N 0.81 2.68 0.00 2.75 0.00 -1.26 -5.02 105.19 105.15 2gbv n GLY 12 Ca 0.01 -1.93 0.13 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 0.03 -2.10 1.61 -0.04 -1.26 -4.88 135.00 128.36 2gbv n PRO 13 Ca 0.00 -0.01 -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 -2.98 3.72 0.07 0.52 1.01 -1.26 -4.32 120.40 117.17 2gbv s VAL 14 Ca 0.13 0.89 -0.14 0.00 0.00 0.00 0.00 61.98 62.86 2gbv s VAL 14 Cb 0.18 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 33.01 2gbv s VAL 14 CO 0.60 -0.07 0.32 0.00 0.00 0.00 0.00 175.10 175.95 2gbv s GLN 15 N 3.84 0.90 0.00 2.72 -2.07 -0.89 -3.71 119.66 120.45 2gbv s GLN 15 Ca 0.69 -0.63 0.00 0.00 -1.82 0.00 0.00 55.36 53.60 2gbv s GLN 15 Cb -0.31 0.39 0.00 0.00 -1.09 0.00 0.00 33.01 32.00 2gbv s GLN 15 CO 0.26 -0.31 0.00 0.41 -1.32 0.00 0.00 175.29 174.33 2gbv n GLY 16 N 0.22 -0.25 2.94 2.60 0.00 -0.92 -0.56 105.19 109.21 2gbv n GLY 16 Ca -0.17 -0.92 -0.27 0.00 0.00 0.00 0.00 46.02 44.66 2gbv n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gbv s ILE 17 N -2.00 1.12 -0.15 -0.61 1.01 -0.85 0.10 121.20 119.82 2gbv s ILE 17 Ca 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.30 2gbv s ILE 17 Cb 0.00 -1.11 -0.00 0.00 0.01 0.00 0.00 42.46 41.36 2gbv s ILE 17 CO 0.00 0.38 -0.17 -0.63 0.00 0.00 0.00 174.94 174.52 2gbv s ILE 18 N 1.55 2.57 -0.02 2.92 -1.09 -0.35 -2.36 121.20 124.42 2gbv s ILE 18 Ca 0.03 -0.81 -0.02 0.00 -2.23 0.00 0.00 60.65 57.62 2gbv s ILE 18 Cb -0.13 -2.07 -0.04 0.00 -1.58 0.00 0.00 42.46 38.64 2gbv s ILE 18 CO -0.07 0.52 0.13 0.20 -1.23 0.00 0.00 174.94 174.49 2gbv s ASN 19 N 0.77 6.05 -0.03 3.58 0.01 0.24 -0.72 114.94 124.84 2gbv s ASN 19 Ca -0.06 0.26 0.05 0.00 -0.71 0.00 0.00 52.86 52.40 2gbv s ASN 19 Cb -0.15 -1.83 -0.01 0.00 0.41 0.00 0.00 41.25 39.66 2gbv s ASN 19 CO 0.00 0.28 -0.18 -0.36 -1.51 0.00 0.00 177.10 175.33 2gbv s PHE 20 N -1.24 1.72 -0.04 2.20 0.08 0.56 -1.21 117.98 120.04 2gbv s PHE 20 Ca 0.24 -0.39 -0.01 0.00 0.12 0.00 0.00 56.93 56.89 2gbv s PHE 20 Cb -0.12 -1.12 0.03 0.00 -0.57 0.00 0.00 43.02 41.23 2gbv s PHE 20 CO 0.15 -0.08 0.08 -2.00 -0.10 0.00 0.00 175.22 173.27 2gbv s GLU 21 N -0.26 0.03 -0.28 0.44 2.12 -0.35 -0.76 118.70 119.64 2gbv s GLU 21 Ca 0.03 0.23 0.02 0.00 0.36 0.00 0.00 54.97 55.61 2gbv s GLU 21 Cb -0.09 -0.17 0.08 0.00 0.26 0.00 0.00 34.13 34.21 2gbv s GLU 21 CO 0.00 -0.13 -0.00 -1.14 -0.54 0.00 0.00 175.26 173.45 2gbv s GLN 22 N 0.89 1.49 0.23 4.30 0.74 -0.44 -0.53 119.66 126.34 2gbv s GLN 22 Ca -0.07 -1.30 -0.08 0.00 0.05 0.00 0.00 55.36 53.96 2gbv s GLN 22 Cb -0.10 -2.69 0.21 0.00 1.10 0.00 0.00 33.01 31.52 2gbv s GLN 22 CO -0.03 -0.76 1.87 -0.22 -0.55 0.00 0.00 175.29 175.60 2gbv h LYS 23 N 7.86 1.21 -4.60 1.67 3.64 -1.84 -2.00 116.57 122.51 2gbv h LYS 23 Ca -0.13 -0.11 -0.34 0.00 -1.27 0.00 0.00 60.65 58.79 2gbv h LYS 23 Cb 1.04 -0.25 -0.26 0.00 -0.41 0.00 0.00 32.23 32.35 2gbv h LYS 23 CO 0.46 0.85 -0.76 -1.21 -2.27 0.00 0.00 179.45 176.52 2gbv s GLU 24 N -5.96 0.59 0.26 1.90 2.02 -1.26 -3.48 118.70 112.76 2gbv s GLU 24 Ca -0.13 -0.42 -0.30 0.00 0.02 0.00 0.00 54.97 54.14 2gbv s GLU 24 Cb 0.17 -0.52 -0.10 0.00 0.10 0.00 0.00 34.13 33.77 2gbv s GLU 24 CO 0.81 0.13 1.46 -1.54 0.02 0.00 0.00 175.26 176.15 2gbv s SER 25 N -0.60 6.61 -0.58 -0.19 1.04 -1.26 -0.11 113.70 118.61 2gbv s SER 25 Ca -0.00 2.71 0.00 0.00 0.48 0.00 0.00 55.95 59.14 2gbv s SER 25 Cb -0.05 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.45 2gbv s SER 25 CO 0.00 -0.74 0.00 -3.20 0.98 0.00 0.00 173.24 170.28 2gbv n ASN 26 N 2.29 -5.06 -4.48 7.02 5.15 -1.26 -5.02 115.26 113.90 2gbv n ASN 26 Ca 0.07 0.13 -0.23 0.00 -0.60 0.00 0.00 54.58 53.96 2gbv n ASN 26 Cb 0.40 -3.04 0.12 0.00 -0.53 0.00 0.00 39.78 36.72 2gbv n ASN 26 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2gbv n GLY 27 N -0.45 0.62 3.77 8.20 0.00 0.85 -5.05 105.19 113.13 2gbv n GLY 27 Ca -0.05 -2.03 -0.40 0.00 0.00 0.00 0.00 46.02 43.54 2gbv n GLY 27 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2gbv s PRO 28 N -5.06 4.00 -0.25 1.61 0.02 -1.26 -4.85 135.00 129.21 2gbv s PRO 28 Ca 0.65 2.40 -0.12 0.00 0.02 0.00 0.00 61.00 63.95 2gbv s PRO 28 Cb -0.04 -2.86 -0.05 0.00 0.02 0.00 0.00 34.50 31.58 2gbv s PRO 28 CO 0.43 -0.55 0.22 0.08 -0.33 0.00 0.00 177.00 176.85 2gbv s VAL 29 N -1.17 5.30 -0.00 3.83 1.01 0.96 -4.25 120.40 126.08 2gbv s VAL 29 Ca 0.55 0.28 -0.26 0.00 0.00 0.00 0.00 61.98 62.56 2gbv s VAL 29 Cb -0.43 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 2gbv s VAL 29 CO 0.57 0.28 0.79 -0.54 0.00 0.00 0.00 175.10 176.21 2gbv s LYS 30 N 1.43 4.50 -0.12 2.72 1.02 0.31 -1.00 119.74 128.59 2gbv s LYS 30 Ca 0.10 1.09 0.02 0.00 0.02 0.00 0.00 55.97 57.19 2gbv s LYS 30 Cb -0.15 -3.41 0.01 0.00 -0.52 0.00 0.00 37.83 33.76 2gbv s LYS 30 CO 0.08 0.13 -0.17 0.08 -0.92 0.00 0.00 175.35 174.55 2gbv s VAL 31 N 0.47 1.70 0.09 3.17 1.01 0.12 -1.21 120.40 125.74 2gbv s VAL 31 Ca 0.41 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 61.46 2gbv s VAL 31 Cb -0.20 -1.53 0.04 0.00 0.00 0.00 0.00 36.38 34.69 2gbv s VAL 31 CO 0.22 0.48 0.43 -1.66 0.00 0.00 0.00 175.10 174.57 2gbv s TRP 32 N 0.99 -0.27 -5.00 5.22 -2.14 -0.35 0.17 118.94 117.56 2gbv s TRP 32 Ca -0.05 0.10 0.00 0.00 2.66 0.00 0.00 56.10 58.81 2gbv s TRP 32 Cb -0.15 0.27 0.00 0.00 -3.10 0.00 0.00 33.47 30.49 2gbv s TRP 32 CO -0.03 -0.65 0.00 0.41 -2.66 0.00 0.00 176.95 174.02 2gbv n GLY 33 N 0.11 -0.21 3.01 3.67 0.00 -0.90 0.79 105.19 111.67 2gbv n GLY 33 Ca -0.17 -1.23 -0.09 0.00 0.00 0.00 0.00 46.02 44.52 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 0.39 -0.02 1.61 0.15 -0.99 -0.79 113.70 110.04 2gbv s SER 34 Ca 0.00 -0.58 0.01 0.00 0.70 0.00 0.00 55.95 56.08 2gbv s SER 34 Cb 0.00 0.10 0.01 0.00 -1.71 0.00 0.00 66.02 64.42 2gbv s SER 34 CO 0.00 -0.33 -0.04 -0.63 1.20 0.00 0.00 173.24 173.44 2gbv s ILE 35 N -1.80 0.44 0.37 6.45 1.01 -0.34 -2.00 121.20 125.32 2gbv s ILE 35 Ca -0.12 -0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.44 2gbv s ILE 35 Cb -0.07 -0.43 -0.07 0.00 0.01 0.00 0.00 42.46 41.90 2gbv s ILE 35 CO -0.02 0.17 0.04 -1.59 0.00 0.00 0.00 174.94 173.54 2gbv s LYS 36 N 0.47 1.82 0.00 2.79 -2.85 0.27 -0.20 119.74 122.04 2gbv s LYS 36 Ca -0.06 -2.03 0.00 0.00 -1.00 0.00 0.00 55.97 52.89 2gbv s LYS 36 Cb -0.09 -1.21 0.00 0.00 -2.06 0.00 0.00 37.83 34.47 2gbv s LYS 36 CO -0.00 -0.15 0.00 0.41 0.10 0.00 0.00 175.35 175.71 2gbv n GLY 37 N -0.84 0.46 3.94 0.59 0.00 -1.11 -2.10 105.19 106.13 2gbv n GLY 37 Ca -0.04 -0.57 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 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 4.12 0.31 0.99 1.43 -0.88 -4.20 118.68 120.45 2gbv s LEU 38 Ca 0.00 0.40 -0.27 0.00 -1.03 0.00 0.00 54.13 53.23 2gbv s LEU 38 Cb 0.00 -3.22 -0.10 0.00 0.03 0.00 0.00 46.19 42.91 2gbv s LEU 38 CO 0.00 -0.19 0.96 0.42 0.23 0.00 0.00 176.35 177.78 2gbv s THR 39 N -2.13 4.08 0.20 5.49 -4.23 -1.26 -4.14 115.64 113.65 2gbv s THR 39 Ca 0.39 1.81 -0.32 0.00 -1.18 0.00 0.00 61.69 62.39 2gbv s THR 39 Cb -0.10 -4.05 -0.14 0.00 1.34 0.00 0.00 72.50 69.55 2gbv s THR 39 CO 0.33 0.22 1.37 1.21 -0.54 0.00 0.00 174.62 177.21 2gbv n GLU 40 N 0.75 1.77 0.00 3.99 2.13 -1.26 -4.63 120.64 123.38 2gbv n GLU 40 Ca 0.01 0.63 0.00 0.00 0.66 0.00 0.00 57.16 58.46 2gbv n GLU 40 Cb 0.49 -2.26 0.00 0.00 0.27 0.00 0.00 31.44 29.94 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 2.33 0.51 3.78 8.31 0.00 -0.51 -4.94 105.19 114.67 2gbv n GLY 41 Ca 0.14 -2.23 -0.39 0.00 0.00 0.00 0.00 46.02 43.53 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 4.58 -0.05 0.99 1.43 -1.26 -1.04 118.68 123.32 2gbv s LEU 42 Ca 0.00 1.54 -0.00 0.00 -1.03 0.00 0.00 54.13 54.64 2gbv s LEU 42 Cb 0.00 -3.19 0.03 0.00 0.03 0.00 0.00 46.19 43.05 2gbv s LEU 42 CO 0.00 0.22 -0.01 -1.00 0.23 0.00 0.00 176.35 175.79 2gbv s HIS 43 N -1.12 0.59 0.38 0.29 3.76 -0.10 -2.88 115.29 116.22 2gbv s HIS 43 Ca 0.34 -0.13 -0.26 0.00 -0.15 0.00 0.00 55.06 54.87 2gbv s HIS 43 Cb -0.22 -0.66 -0.12 0.00 1.11 0.00 0.00 32.58 32.69 2gbv s HIS 43 CO 0.24 -0.24 1.02 0.41 -0.85 0.00 0.00 174.74 175.32 2gbv n GLY 44 N 4.58 -0.20 2.71 -2.22 0.00 -0.23 -1.16 105.19 108.67 2gbv n GLY 44 Ca -0.17 0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.16 0.03 1.61 5.36 0.43 -0.73 117.98 123.31 2gbv s PHE 45 Ca 0.61 0.00 -0.05 0.00 -0.96 0.00 0.00 56.93 56.53 2gbv s PHE 45 Cb -0.60 -0.47 -0.01 0.00 -0.34 0.00 0.00 43.02 41.60 2gbv s PHE 45 CO 0.58 -0.63 0.09 -1.01 -1.46 0.00 0.00 175.22 172.79 2gbv s HIS 46 N 2.28 0.17 -0.25 10.12 3.76 -0.69 -2.21 115.29 128.47 2gbv s HIS 46 Ca 0.06 -0.43 -0.18 0.00 -0.15 0.00 0.00 55.06 54.37 2gbv s HIS 46 Cb -0.16 -0.13 -0.03 0.00 1.11 0.00 0.00 32.58 33.38 2gbv s HIS 46 CO -0.15 -0.33 0.51 0.08 -0.85 0.00 0.00 174.74 173.99 2gbv s VAL 47 N -2.25 5.08 0.25 -0.90 1.01 -0.25 -0.60 120.40 122.74 2gbv s VAL 47 Ca -0.08 0.88 -0.03 0.00 0.00 0.00 0.00 61.98 62.75 2gbv s VAL 47 Cb -0.03 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 2gbv s VAL 47 CO -0.03 0.10 0.48 -1.00 0.00 0.00 0.00 175.10 174.66 2gbv s HIS 48 N 2.19 3.48 0.15 5.22 3.76 0.15 -1.18 115.29 129.05 2gbv s HIS 48 Ca 0.21 0.52 -0.17 0.00 -0.15 0.00 0.00 55.06 55.48 2gbv s HIS 48 Cb -0.16 -2.00 0.02 0.00 1.11 0.00 0.00 32.58 31.55 2gbv s HIS 48 CO 0.09 0.27 1.77 1.49 -0.85 0.00 0.00 174.74 177.50 2gbv h GLU 49 N 1.87 0.30 -5.53 1.40 4.81 -0.71 -2.50 114.58 114.23 2gbv h GLU 49 Ca -0.48 -0.02 -0.64 0.00 -0.13 0.00 0.00 59.36 58.09 2gbv h GLU 49 Cb 1.19 -0.07 -0.12 0.00 0.63 0.00 0.00 28.75 30.38 2gbv h GLU 49 CO 0.67 0.20 -0.53 -0.06 -0.73 0.00 0.00 179.01 178.56 2gbv s PHE 50 N -6.16 3.38 -0.40 0.92 0.08 0.09 -4.59 117.98 111.30 2gbv s PHE 50 Ca -0.13 0.30 -0.06 0.00 0.12 0.00 0.00 56.93 57.16 2gbv s PHE 50 Cb 0.11 -1.99 -0.12 0.00 -0.57 0.00 0.00 43.02 40.45 2gbv s PHE 50 CO 0.71 0.44 3.20 0.41 -0.10 0.00 0.00 175.22 179.88 2gbv n GLY 51 N 2.73 3.72 3.16 4.36 0.00 -0.88 -3.59 105.19 114.69 2gbv n GLY 51 Ca -0.18 -1.52 -0.35 0.00 0.00 0.00 0.00 46.02 43.97 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 1.37 4.96 -0.21 1.61 -1.08 -1.26 -4.94 116.67 117.12 2gbv s ASP 52 Ca 0.64 -1.44 0.15 0.00 -0.52 0.00 0.00 52.55 51.37 2gbv s ASP 52 Cb 0.32 -1.73 0.60 0.00 -1.46 0.00 0.00 42.92 40.64 2gbv s ASP 52 CO -0.09 -0.32 1.52 -3.20 0.52 0.00 0.00 175.17 173.61 2gbv n ASN 53 N 4.61 4.17 0.18 -0.34 2.85 -1.26 -2.94 115.26 122.52 2gbv n ASN 53 Ca -0.10 -3.09 0.04 0.00 -0.11 0.00 0.00 54.58 51.31 2gbv n ASN 53 Cb 0.43 -0.60 0.46 0.00 1.24 0.00 0.00 39.78 41.31 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 2.18 1.14 -0.93 -0.44 1.35 -1.93 -1.51 112.91 112.77 2gbv h THR 54 Ca 0.05 -0.65 -0.57 0.00 -0.55 0.00 0.00 66.41 64.69 2gbv h THR 54 Cb 1.65 1.25 -0.42 0.00 -1.73 0.00 0.00 68.15 68.90 2gbv h THR 54 CO 0.34 0.20 -0.71 0.00 -0.25 0.00 0.00 175.52 175.09 2gbv n ALA 55 N -2.50 5.10 -0.99 6.62 0.00 -1.26 -5.06 120.51 122.42 2gbv n ALA 55 Ca -0.02 -3.89 0.00 0.00 0.00 0.00 0.00 53.44 49.53 2gbv n ALA 55 Cb 0.24 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.25 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 -0.67 2.31 0.28 0.00 0.00 -0.57 -2.96 105.19 103.58 2gbv n GLY 56 Ca 0.44 -0.44 0.15 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.99 1.14 -0.17 4.61 0.00 -1.87 -3.18 119.26 118.80 2gbv h ALA 57 Ca 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2gbv h ALA 57 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2gbv h ALA 57 CO 0.00 0.10 -0.20 1.15 0.00 0.00 0.00 179.25 180.29 2gbv h THR 58 N 0.00 1.22 -0.00 0.00 2.02 -1.86 -2.71 112.91 111.59 2gbv h THR 58 Ca -0.00 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.15 2gbv h THR 58 Cb 0.35 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 2gbv h THR 58 CO 0.01 0.32 -0.00 -1.54 0.37 0.00 0.00 175.52 174.68 2gbv n SER 59 N -4.19 0.10 0.00 4.18 3.41 -1.20 -3.66 113.62 112.26 2gbv n SER 59 Ca -0.01 -0.99 0.09 0.00 -0.26 0.00 0.00 58.87 57.70 2gbv n SER 59 Cb 0.34 -0.01 0.40 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 -0.94 1.85 -0.27 7.33 0.00 -1.02 -4.46 120.51 123.01 2gbv n ALA 60 Ca 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2gbv n ALA 60 Cb 0.13 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 0.40 -1.21 3.54 0.00 0.00 -1.24 -0.73 105.19 105.95 2gbv n GLY 61 Ca 0.05 -1.23 -0.27 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.22 -1.20 -1.72 1.61 -0.04 -1.26 -4.57 135.00 127.61 2gbv n PRO 62 Ca 0.00 -1.89 -0.42 0.00 -0.04 0.00 0.00 63.50 61.15 2gbv n PRO 62 Cb 0.00 -1.26 -0.00 0.00 -0.04 0.00 0.00 33.50 32.20 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 -3.69 2.43 -1.78 0.54 8.25 -1.26 -0.83 115.22 118.88 2gbv n HIS 63 Ca 0.15 0.52 -0.42 0.00 -0.26 0.00 0.00 57.72 57.71 2gbv n HIS 63 Cb 0.53 -2.44 -0.03 0.00 1.12 0.00 0.00 29.99 29.17 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 -1.12 1.50 -0.39 4.41 5.36 -0.32 -4.53 117.98 122.88 2gbv s PHE 64 Ca 0.56 0.06 0.10 0.00 -0.96 0.00 0.00 56.93 56.68 2gbv s PHE 64 Cb -0.54 -4.08 0.31 0.00 -0.34 0.00 0.00 43.02 38.38 2gbv s PHE 64 CO 0.62 -4.50 0.71 -1.71 -1.46 0.00 0.00 175.22 168.88 2gbv n ASN 65 N 8.68 0.08 0.28 6.13 5.15 -1.26 -1.01 115.26 133.32 2gbv n ASN 65 Ca 0.22 -2.99 0.18 0.00 -0.60 0.00 0.00 54.58 51.38 2gbv n ASN 65 Cb 0.43 -0.23 0.78 0.00 -0.53 0.00 0.00 39.78 40.23 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 3.38 0.00 -0.30 1.20 0.13 -1.96 -2.29 132.00 132.15 2gbv h PRO 66 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2gbv h PRO 66 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2gbv h PRO 66 CO 0.44 0.02 0.00 1.28 -0.23 0.00 0.00 178.00 179.52 2gbv n LEU 67 N -3.15 2.36 -3.94 1.56 4.77 -1.26 -4.97 117.00 112.37 2gbv n LEU 67 Ca -0.00 -1.05 -0.27 0.00 -0.03 0.00 0.00 56.01 54.66 2gbv n LEU 67 Cb 0.27 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 2gbv n LEU 67 CO 0.26 0.52 -0.23 -1.20 -1.33 0.00 0.00 177.39 175.42 2gbv n SER 68 N 0.78 -1.06 -4.97 -1.43 7.64 -0.86 -4.98 113.62 108.73 2gbv n SER 68 Ca 0.17 -1.04 -0.18 0.00 1.01 0.00 0.00 58.87 58.82 2gbv n SER 68 Cb 0.42 -2.95 0.00 0.00 -1.01 0.00 0.00 64.21 60.68 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 -6.56 2.69 0.57 1.43 0.52 -1.26 -5.12 118.95 111.21 2gbv s ARG 69 Ca 0.09 -1.38 -0.12 0.00 -0.52 0.00 0.00 55.73 53.80 2gbv s ARG 69 Cb -0.03 -2.63 -0.05 0.00 0.52 0.00 0.00 34.95 32.76 2gbv s ARG 69 CO 0.90 -0.31 0.98 0.15 0.02 0.00 0.00 175.30 177.04 2gbv s LYS 70 N -4.31 3.69 0.49 3.54 1.02 -1.26 -4.73 119.74 118.18 2gbv s LYS 70 Ca 0.53 0.74 -0.23 0.00 0.02 0.00 0.00 55.97 57.03 2gbv s LYS 70 Cb -0.08 -2.14 -0.06 0.00 -0.52 0.00 0.00 37.83 35.03 2gbv s LYS 70 CO 0.32 -0.43 1.27 -1.58 -0.92 0.00 0.00 175.35 174.00 2gbv s HIS 71 N -2.95 2.60 0.09 3.18 5.65 0.19 -3.25 115.29 120.79 2gbv s HIS 71 Ca 0.55 1.45 -0.03 0.00 0.25 0.00 0.00 55.06 57.28 2gbv s HIS 71 Cb -0.11 -3.60 0.01 0.00 -1.18 0.00 0.00 32.58 27.70 2gbv s HIS 71 CO 0.46 -2.20 0.17 0.41 -0.65 0.00 0.00 174.74 172.92 2gbv n GLY 72 N 0.59 2.08 3.95 1.59 0.00 -1.25 -4.29 105.19 107.86 2gbv n GLY 72 Ca 0.08 -1.17 -0.24 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.50 1.57 0.55 -0.02 0.00 -1.17 -4.65 107.32 102.11 2gbv s GLY 73 Ca 0.05 -0.98 0.23 0.00 0.00 0.00 0.00 44.72 44.02 2gbv s GLY 73 CO 0.03 -0.79 2.18 -0.56 0.00 0.00 0.00 173.10 173.96 2gbv h PRO 74 N 0.31 0.00 -0.01 2.90 0.13 -1.87 -0.86 132.00 132.60 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 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2gbv h PRO 74 CO 0.58 0.00 -0.08 1.63 -0.23 0.00 0.00 178.00 179.90 2gbv n LYS 75 N -4.20 1.30 -3.12 0.86 4.76 -1.26 -4.89 118.16 111.61 2gbv n LYS 75 Ca -0.02 -0.69 -0.34 0.00 -2.87 0.00 0.00 58.31 54.39 2gbv n LYS 75 Cb 0.14 -1.49 -0.06 0.00 -1.84 0.00 0.00 35.03 31.79 2gbv n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2gbv s ASP 76 N -2.18 6.92 0.00 4.39 1.01 -0.33 -5.00 116.67 121.48 2gbv s ASP 76 Ca 0.34 1.35 -0.24 0.00 0.71 0.00 0.00 52.55 54.71 2gbv s ASP 76 Cb 0.20 -2.40 -0.18 0.00 1.01 0.00 0.00 42.92 41.55 2gbv s ASP 76 CO 0.40 -0.08 1.32 -0.08 0.21 0.00 0.00 175.17 176.94 2gbv h GLU 77 N 2.86 0.08 -6.25 8.23 4.81 -1.90 -3.38 114.58 119.03 2gbv h GLU 77 Ca -0.48 -0.04 -0.53 0.00 -0.13 0.00 0.00 59.36 58.18 2gbv h GLU 77 Cb 1.18 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.49 2gbv h GLU 77 CO 0.65 0.50 1.15 -2.00 -0.73 0.00 0.00 179.01 178.58 2gbv s GLU 78 N -4.43 3.07 0.18 1.92 2.56 -1.26 -4.93 118.70 115.82 2gbv s GLU 78 Ca -0.15 -0.08 -0.18 0.00 0.00 0.00 0.00 54.97 54.55 2gbv s GLU 78 Cb 0.03 -4.30 0.03 0.00 2.00 0.00 0.00 34.13 31.89 2gbv s GLU 78 CO 0.69 -2.31 0.53 -0.98 -0.56 0.00 0.00 175.26 172.63 2gbv s ARG 79 N 6.03 1.34 0.40 4.30 1.70 -1.20 -3.82 118.95 127.70 2gbv s ARG 79 Ca 0.44 -0.79 -0.23 0.00 -0.47 0.00 0.00 55.73 54.67 2gbv s ARG 79 Cb -0.09 0.53 -0.10 0.00 -0.57 0.00 0.00 34.95 34.72 2gbv s ARG 79 CO 0.15 -0.57 0.96 -1.01 -1.08 0.00 0.00 175.30 173.75 2gbv s HIS 80 N -3.85 3.41 0.29 5.89 3.76 -1.23 -4.69 115.29 118.87 2gbv s HIS 80 Ca 0.07 1.67 0.03 0.00 -0.15 0.00 0.00 55.06 56.68 2gbv s HIS 80 Cb -0.01 -2.91 0.63 0.00 1.11 0.00 0.00 32.58 31.40 2gbv s HIS 80 CO -0.05 -0.10 1.79 0.28 -0.85 0.00 0.00 174.74 175.81 2gbv h VAL 81 N 2.14 0.78 0.00 -0.90 2.07 -1.76 -1.54 116.25 117.04 2gbv h VAL 81 Ca -0.48 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.76 2gbv h VAL 81 Cb 1.19 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2gbv h VAL 81 CO 0.62 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.97 2gbv n GLY 82 N -1.33 -0.90 3.56 2.17 0.00 -0.18 -4.32 105.19 104.18 2gbv n GLY 82 Ca 0.21 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.52 5.81 -0.08 1.61 1.01 -0.58 -1.08 116.67 120.84 2gbv s ASP 83 Ca 0.20 0.06 0.14 0.00 0.71 0.00 0.00 52.55 53.65 2gbv s ASP 83 Cb 0.13 -2.54 0.43 0.00 1.01 0.00 0.00 42.92 41.95 2gbv s ASP 83 CO 0.29 -2.01 1.35 0.18 0.21 0.00 0.00 175.17 175.20 2gbv n LEU 84 N 10.71 3.47 0.00 1.23 4.77 -0.94 -3.66 117.00 132.58 2gbv n LEU 84 Ca 0.12 -2.44 0.00 0.00 -0.03 0.00 0.00 56.01 53.66 2gbv n LEU 84 Cb 0.50 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2gbv n LEU 84 CO 0.71 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 178.10 2gbv n GLY 85 N 0.17 0.56 3.30 -0.72 0.00 -1.14 -4.77 105.19 102.59 2gbv n GLY 85 Ca 0.17 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 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 2.89 0.20 1.61 0.01 -1.26 -0.43 114.94 113.96 2gbv s ASN 86 Ca 0.00 -0.51 0.04 0.00 -0.71 0.00 0.00 52.86 51.68 2gbv s ASN 86 Cb 0.00 -0.29 -0.03 0.00 0.41 0.00 0.00 41.25 41.34 2gbv s ASN 86 CO 0.00 0.26 0.29 0.68 -1.51 0.00 0.00 177.10 176.82 2gbv s VAL 87 N -0.69 5.15 -0.21 1.60 -7.23 -0.31 -4.90 120.40 113.81 2gbv s VAL 87 Ca 0.10 -0.91 0.01 0.00 -1.81 0.00 0.00 61.98 59.37 2gbv s VAL 87 Cb -0.09 -3.72 0.03 0.00 0.56 0.00 0.00 36.38 33.15 2gbv s VAL 87 CO 0.01 -0.21 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.54 2gbv s THR 88 N -1.87 2.22 -0.03 5.32 2.01 -1.26 -0.92 115.64 121.10 2gbv s THR 88 Ca 0.34 -1.11 -0.24 0.00 0.31 0.00 0.00 61.69 60.99 2gbv s THR 88 Cb -0.10 -2.05 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 2gbv s THR 88 CO 0.28 0.35 0.71 0.00 -0.69 0.00 0.00 174.62 175.27 2gbv s ALA 89 N 1.25 3.36 1.08 7.40 0.00 -0.21 -4.10 121.76 130.53 2gbv s ALA 89 Ca 0.01 0.17 -0.10 0.00 0.00 0.00 0.00 51.96 52.04 2gbv s ALA 89 Cb -0.15 -2.95 0.14 0.00 0.00 0.00 0.00 23.12 20.16 2gbv s ALA 89 CO -0.10 -0.03 0.61 -0.40 0.00 0.00 0.00 175.76 175.84 2gbv n ASP 90 N 3.42 -0.91 0.32 0.00 5.68 -0.31 -1.43 116.55 123.32 2gbv n ASP 90 Ca -0.02 -1.01 0.21 0.00 -0.50 0.00 0.00 54.79 53.47 2gbv n ASP 90 Cb 0.51 -0.52 1.11 0.00 -1.14 0.00 0.00 41.12 41.08 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 -0.38 0.11 2.10 -1.97 -1.68 116.57 114.74 2gbv h LYS 91 Ca -0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.44 2gbv h LYS 91 Cb 0.63 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.96 2gbv h LYS 91 CO 0.14 0.01 0.00 -0.25 -2.00 0.00 0.00 179.45 177.35 2gbv n ASP 92 N -3.24 2.68 0.00 7.07 8.00 -1.26 -4.85 116.55 124.95 2gbv n ASP 92 Ca -0.03 -1.92 0.00 0.00 0.71 0.00 0.00 54.79 53.56 2gbv n ASP 92 Cb 0.10 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 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 1.33 0.47 3.45 0.44 0.00 -0.63 -4.79 105.19 105.46 2gbv n GLY 93 Ca 0.18 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 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 4.03 -0.29 1.61 1.01 -1.26 -2.07 120.40 121.43 2gbv s VAL 94 Ca 0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 61.98 61.59 2gbv s VAL 94 Cb 0.00 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 2gbv s VAL 94 CO 0.00 0.41 0.17 0.00 0.00 0.00 0.00 175.10 175.68 2gbv s ALA 95 N 1.14 3.41 -0.43 5.51 0.00 0.72 -1.17 121.76 130.96 2gbv s ALA 95 Ca 0.03 -1.20 -0.17 0.00 0.00 0.00 0.00 51.96 50.62 2gbv s ALA 95 Cb -0.14 -2.42 0.03 0.00 0.00 0.00 0.00 23.12 20.58 2gbv s ALA 95 CO 0.02 -0.67 0.46 -0.51 0.00 0.00 0.00 175.76 175.06 2gbv s ASP 96 N 1.70 6.20 -0.04 0.00 1.01 -1.26 -1.20 116.67 123.08 2gbv s ASP 96 Ca 0.06 -0.69 -0.17 0.00 0.71 0.00 0.00 52.55 52.46 2gbv s ASP 96 Cb -0.16 -2.23 -0.05 0.00 1.01 0.00 0.00 42.92 41.49 2gbv s ASP 96 CO 0.09 -0.61 0.46 -0.69 0.21 0.00 0.00 175.17 174.62 2gbv s VAL 97 N 2.18 5.06 -0.31 -1.27 1.01 0.03 -4.88 120.40 122.21 2gbv s VAL 97 Ca 0.12 0.93 0.05 0.00 0.00 0.00 0.00 61.98 63.09 2gbv s VAL 97 Cb -0.17 -3.78 0.19 0.00 0.00 0.00 0.00 36.38 32.62 2gbv s VAL 97 CO 0.14 0.47 0.55 -0.55 0.00 0.00 0.00 175.10 175.71 2gbv s SER 98 N -0.35 -1.14 0.09 3.32 0.15 -1.24 -2.12 113.70 112.41 2gbv s SER 98 Ca 0.25 -0.15 0.07 0.00 0.70 0.00 0.00 55.95 56.82 2gbv s SER 98 Cb -0.16 1.80 -0.03 0.00 -1.71 0.00 0.00 66.02 65.91 2gbv s SER 98 CO 0.13 -0.29 -0.18 -0.63 1.20 0.00 0.00 173.24 173.47 2gbv s ILE 99 N 2.56 1.44 -0.06 6.45 1.01 0.13 -5.00 121.20 127.73 2gbv s ILE 99 Ca 0.11 -1.44 0.02 0.00 0.00 0.00 0.00 60.65 59.34 2gbv s ILE 99 Cb -0.10 -1.34 0.02 0.00 0.01 0.00 0.00 42.46 41.05 2gbv s ILE 99 CO -0.23 -0.14 -0.09 -0.70 0.00 0.00 0.00 174.94 173.78 2gbv s GLU 100 N -1.85 1.41 -0.01 2.79 2.12 -1.26 0.10 118.70 122.01 2gbv s GLU 100 Ca 0.03 -0.30 0.01 0.00 0.36 0.00 0.00 54.97 55.06 2gbv s GLU 100 Cb -0.10 -1.24 0.00 0.00 0.26 0.00 0.00 34.13 33.05 2gbv s GLU 100 CO 0.03 -0.03 -0.02 0.34 -0.54 0.00 0.00 175.26 175.04 2gbv s ASP 101 N 0.82 0.29 0.00 -1.70 2.15 -0.17 -4.96 116.67 113.10 2gbv s ASP 101 Ca -0.12 -0.04 0.15 0.00 0.43 0.00 0.00 52.55 52.97 2gbv s ASP 101 Cb -0.15 -0.05 0.10 0.00 -0.30 0.00 0.00 42.92 42.52 2gbv s ASP 101 CO 0.02 0.01 0.96 -1.54 -0.17 0.00 0.00 175.17 174.45 2gbv n SER 102 N 3.17 2.16 -0.09 -0.34 3.41 -1.26 -0.03 113.62 120.64 2gbv n SER 102 Ca -0.14 -1.58 -0.22 0.00 -0.26 0.00 0.00 58.87 56.66 2gbv n SER 102 Cb 0.58 0.07 -0.12 0.00 -0.26 0.00 0.00 64.21 64.48 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 0.72 1.58 -1.79 -3.33 0.31 -1.26 -4.87 118.33 109.69 2gbv n VAL 103 Ca 0.08 -0.46 -0.34 0.00 -0.01 0.00 0.00 64.34 63.62 2gbv n VAL 103 Cb 0.37 -1.72 0.05 0.00 -0.91 0.00 0.00 33.84 31.63 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 -2.50 2.95 0.12 2.52 -4.36 -1.26 -4.93 121.20 113.74 2gbv s ILE 104 Ca -0.32 0.49 -0.04 0.00 -0.26 0.00 0.00 60.65 60.52 2gbv s ILE 104 Cb 0.09 -3.05 -0.03 0.00 1.25 0.00 0.00 42.46 40.72 2gbv s ILE 104 CO 0.61 -0.23 0.11 -0.55 0.24 0.00 0.00 174.94 175.12 2gbv s SER 105 N -2.21 0.26 0.00 4.36 0.15 -1.16 -4.59 113.70 110.50 2gbv s SER 105 Ca 0.71 -1.03 0.24 0.00 0.70 0.00 0.00 55.95 56.57 2gbv s SER 105 Cb -0.24 0.32 0.19 0.00 -1.71 0.00 0.00 66.02 64.58 2gbv s SER 105 CO 0.39 -0.74 1.26 0.18 1.20 0.00 0.00 173.24 175.52 2gbv n LEU 106 N -0.08 3.00 -4.10 3.45 4.77 -1.26 -0.94 117.00 121.84 2gbv n LEU 106 Ca -0.09 -1.00 -0.09 0.00 -0.03 0.00 0.00 56.01 54.80 2gbv n LEU 106 Cb 0.63 -0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.62 2gbv n LEU 106 CO 0.28 0.50 -0.29 -0.94 -1.33 0.00 0.00 177.39 175.61 2gbv s SER 107 N -1.99 0.34 0.00 -1.43 1.04 -1.26 -4.71 113.70 105.69 2gbv s SER 107 Ca 0.28 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.62 2gbv s SER 107 Cb 0.20 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.59 2gbv s SER 107 CO 0.30 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.43 2gbv n GLY 108 N -0.03 -2.04 0.30 7.32 0.00 -1.26 -3.10 105.19 106.39 2gbv n GLY 108 Ca -0.09 -1.46 0.08 0.00 0.00 0.00 0.00 46.02 44.56 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 0.22 -0.32 1.61 5.19 -2.00 -0.86 116.42 120.25 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 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.46 2gbv h ASP 109 CO 0.00 0.15 0.00 1.41 -3.12 0.00 0.00 179.24 177.68 2gbv n HIS 110 N -4.49 0.42 -1.65 4.55 8.25 -1.26 -4.95 115.22 116.09 2gbv n HIS 110 Ca 0.02 -0.21 -0.46 0.00 -0.26 0.00 0.00 57.72 56.81 2gbv n HIS 110 Cb 0.17 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.25 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 0.69 0.60 0.79 -1.41 0.00 -0.33 -3.00 120.51 117.85 2gbv n ALA 111 Ca 0.16 0.43 0.11 0.00 0.00 0.00 0.00 53.44 54.14 2gbv n ALA 111 Cb 0.39 -2.22 0.11 0.00 0.00 0.00 0.00 19.45 17.73 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 2.00 0.08 -1.74 0.00 -5.35 -0.11 -4.92 119.36 109.32 2gbv n ILE 112 Ca 0.13 -0.54 -0.42 0.00 -0.27 0.00 0.00 62.75 61.65 2gbv n ILE 112 Cb 0.29 1.36 -0.03 0.00 -1.74 0.00 0.00 39.64 39.52 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 -1.71 2.15 0.00 7.28 -1.09 -1.26 -1.56 121.20 125.01 2gbv s ILE 113 Ca 0.27 0.05 0.00 0.00 -2.23 0.00 0.00 60.65 58.73 2gbv s ILE 113 Cb 0.18 -3.03 0.00 0.00 -1.58 0.00 0.00 42.46 38.03 2gbv s ILE 113 CO 0.27 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.59 2gbv n GLY 114 N 4.02 0.80 3.29 6.18 0.00 0.53 -5.00 105.19 115.01 2gbv n GLY 114 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.24 0.73 -4.57 1.61 1.74 -0.60 -2.08 116.66 111.25 2gbv n ARG 115 Ca 0.00 -2.80 -0.33 0.00 -0.77 0.00 0.00 57.85 53.95 2gbv n ARG 115 Cb 0.00 0.05 -0.14 0.00 -1.02 0.00 0.00 32.46 31.34 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 -2.20 3.04 -0.06 0.55 2.01 -0.94 -0.39 115.64 117.65 2gbv s THR 116 Ca 0.40 -0.65 -0.23 0.00 0.31 0.00 0.00 61.69 61.51 2gbv s THR 116 Cb -0.03 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 2gbv s THR 116 CO 0.25 0.51 0.68 -0.22 -0.69 0.00 0.00 174.62 175.15 2gbv s LEU 117 N 0.62 4.32 -0.03 4.42 2.96 -0.17 0.30 118.68 131.10 2gbv s LEU 117 Ca -0.07 1.16 0.03 0.00 -0.22 0.00 0.00 54.13 55.04 2gbv s LEU 117 Cb -0.15 -3.05 0.00 0.00 0.50 0.00 0.00 46.19 43.49 2gbv s LEU 117 CO 0.03 -0.09 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.16 2gbv s VAL 118 N 0.71 1.01 -0.10 1.68 1.01 0.23 -1.38 120.40 123.56 2gbv s VAL 118 Ca 0.36 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.86 2gbv s VAL 118 Cb -0.18 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 2gbv s VAL 118 CO 0.18 0.30 -0.11 0.54 0.00 0.00 0.00 175.10 176.01 2gbv s VAL 119 N 0.13 3.26 0.38 2.92 0.11 -0.77 -1.70 120.40 124.73 2gbv s VAL 119 Ca -0.03 -0.62 0.08 0.00 -2.93 0.00 0.00 61.98 58.48 2gbv s VAL 119 Cb -0.09 -2.34 -0.02 0.00 -1.53 0.00 0.00 36.38 32.40 2gbv s VAL 119 CO 0.01 0.55 0.39 -1.00 -3.33 0.00 0.00 175.10 171.73 2gbv s HIS 120 N -0.16 2.82 0.12 1.54 3.76 0.09 -1.00 115.29 122.46 2gbv s HIS 120 Ca 0.00 -0.39 -0.11 0.00 -0.15 0.00 0.00 55.06 54.41 2gbv s HIS 120 Cb -0.13 -2.08 -0.10 0.00 1.11 0.00 0.00 32.58 31.38 2gbv s HIS 120 CO 0.03 -0.07 1.35 1.05 -0.85 0.00 0.00 174.74 176.25 2gbv h GLU 121 N 1.02 0.76 -5.93 1.40 4.11 -0.96 -3.38 114.58 111.60 2gbv h GLU 121 Ca -0.43 -0.59 -0.56 0.00 0.07 0.00 0.00 59.36 57.86 2gbv h GLU 121 Cb 1.26 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 30.55 2gbv h GLU 121 CO 0.55 1.20 -0.45 0.15 0.07 0.00 0.00 179.01 180.54 2gbv s LYS 122 N -3.82 2.29 0.34 1.06 1.02 -0.19 -4.88 119.74 115.56 2gbv s LYS 122 Ca -0.10 -1.83 -0.28 0.00 0.02 0.00 0.00 55.97 53.78 2gbv s LYS 122 Cb 0.09 -2.06 -0.10 0.00 -0.52 0.00 0.00 37.83 35.24 2gbv s LYS 122 CO 0.89 -0.21 1.28 0.00 -0.92 0.00 0.00 175.35 176.39 2gbv s ALA 123 N -2.61 3.43 -0.16 5.17 0.00 -1.14 -1.07 121.76 125.38 2gbv s ALA 123 Ca 0.40 1.21 -0.29 0.00 0.00 0.00 0.00 51.96 53.27 2gbv s ALA 123 Cb 0.02 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 2gbv s ALA 123 CO 0.23 -0.62 1.13 0.34 0.00 0.00 0.00 175.76 176.84 2gbv s ASP 124 N -0.60 7.06 0.00 0.00 -1.08 -1.26 -3.91 116.67 116.88 2gbv s ASP 124 Ca 0.50 1.57 0.23 0.00 -0.52 0.00 0.00 52.55 54.33 2gbv s ASP 124 Cb -0.38 -2.54 1.38 0.00 -1.46 0.00 0.00 42.92 39.91 2gbv s ASP 124 CO 0.50 -0.65 1.86 -0.90 0.52 0.00 0.00 175.17 176.50 2gbv n ASP 125 N 6.05 0.00 -2.09 -0.34 5.68 -0.12 -4.88 116.55 120.85 2gbv n ASP 125 Ca 0.12 -1.19 -0.19 0.00 -0.50 0.00 0.00 54.79 53.03 2gbv n ASP 125 Cb 0.46 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.42 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 -0.88 -1.81 0.00 -2.12 4.77 -1.26 -2.25 117.00 113.45 2gbv n LEU 126 Ca 0.17 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2gbv n LEU 126 Cb 0.08 -2.73 0.00 0.00 -2.33 0.00 0.00 43.42 38.44 2gbv n LEU 126 CO 0.13 -0.31 0.00 0.61 -1.33 0.00 0.00 177.39 176.49 2gbv n GLY 127 N -0.97 0.60 1.07 -0.72 0.00 -1.25 -3.05 105.19 100.88 2gbv n GLY 127 Ca -0.22 0.00 0.10 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 -2.79 2.53 0.17 1.61 4.76 -0.95 -4.63 118.16 118.87 2gbv n LYS 128 Ca 0.00 -2.30 0.13 0.00 -2.87 0.00 0.00 58.31 53.27 2gbv n LYS 128 Cb 0.00 -1.46 0.55 0.00 -1.84 0.00 0.00 35.03 32.28 2gbv n LYS 128 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 2gbv h GLY 129 N 3.73 0.00 -0.33 0.72 0.00 -1.90 -3.47 103.07 101.83 2gbv h GLY 129 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 2gbv h GLY 129 CO 0.00 0.00 -0.10 0.61 0.00 0.00 0.00 176.54 177.05 2gbv n GLY 130 N -0.02 0.69 3.33 4.60 0.00 -1.26 -5.01 105.19 107.51 2gbv n GLY 130 Ca 0.02 -0.80 -0.17 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.92 1.33 0.18 1.61 2.20 -1.26 -5.06 114.94 111.02 2gbv s ASN 131 Ca 0.00 -1.36 -0.09 0.00 -0.94 0.00 0.00 52.86 50.46 2gbv s ASN 131 Cb 0.00 0.13 0.07 0.00 -2.00 0.00 0.00 41.25 39.45 2gbv s ASN 131 CO 0.00 -0.70 1.64 -0.08 -2.94 0.00 0.00 177.10 175.02 2gbv h GLU 132 N 2.38 1.08 -0.74 3.55 4.81 -2.00 -2.56 114.58 121.10 2gbv h GLU 132 Ca -0.38 -0.34 0.07 0.00 -0.13 0.00 0.00 59.36 58.57 2gbv h GLU 132 Cb 1.24 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.48 2gbv h GLU 132 CO 0.62 1.05 0.48 1.49 -0.73 0.00 0.00 179.01 181.92 2gbv h GLU 133 N 0.98 0.73 -0.70 1.92 4.57 -2.00 -1.28 114.58 118.81 2gbv h GLU 133 Ca 0.17 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 2gbv h GLU 133 Cb 0.56 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 2gbv h GLU 133 CO 0.03 0.48 0.38 1.03 -1.18 0.00 0.00 179.01 179.76 2gbv h SER 134 N 0.75 0.86 0.44 1.04 0.87 -1.80 0.70 113.55 116.40 2gbv h SER 134 Ca 0.32 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 2gbv h SER 134 Cb 0.29 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2gbv h SER 134 CO -0.11 0.69 0.00 0.35 -0.53 0.00 0.00 176.83 177.23 2gbv n THR 135 N -4.37 0.35 -0.02 2.23 -2.24 -0.49 -2.51 114.28 107.22 2gbv n THR 135 Ca 0.07 0.09 -0.07 0.00 -2.27 0.00 0.00 64.05 61.87 2gbv n THR 135 Cb 0.10 -0.73 -0.02 0.00 -2.10 0.00 0.00 70.33 67.57 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 -1.31 0.21 -0.00 -0.78 5.02 -0.80 -0.64 118.16 119.86 2gbv n LYS 136 Ca 0.10 0.09 0.02 0.00 -2.02 0.00 0.00 58.31 56.50 2gbv n LYS 136 Cb 0.18 -0.86 -0.03 0.00 -0.02 0.00 0.00 35.03 34.30 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 -3.69 0.00 -1.06 -0.18 -2.24 0.17 -4.67 114.28 102.61 2gbv n THR 137 Ca -0.12 -0.32 -0.02 0.00 -2.27 0.00 0.00 64.05 61.32 2gbv n THR 137 Cb 0.39 0.86 -0.01 0.00 -2.10 0.00 0.00 70.33 69.47 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 1.36 0.51 3.26 3.38 0.00 -1.05 -3.58 105.19 109.08 2gbv n GLY 138 Ca 0.01 -0.23 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 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 0.07 -5.53 -0.09 1.61 3.02 -1.26 -0.95 115.26 112.14 2gbv n ASN 139 Ca -0.02 -0.39 0.15 0.00 -0.03 0.00 0.00 54.58 54.29 2gbv n ASN 139 Cb 0.17 -4.46 0.71 0.00 -0.61 0.00 0.00 39.78 35.60 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 -3.86 2.67 -0.41 5.41 0.00 -1.24 -4.67 120.51 118.41 2gbv n ALA 140 Ca -0.06 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2gbv n ALA 140 Cb 0.59 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 1.22 -0.32 3.69 0.00 0.00 -1.26 -1.03 105.19 107.49 2gbv n GLY 141 Ca 0.17 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 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 3.26 -0.36 1.61 1.04 -1.26 -4.63 113.70 109.36 2gbv s SER 142 Ca 0.00 1.77 -0.16 0.00 0.48 0.00 0.00 55.95 58.05 2gbv s SER 142 Cb 0.00 -2.39 -0.00 0.00 0.10 0.00 0.00 66.02 63.73 2gbv s SER 142 CO 0.00 -2.82 0.40 -0.13 0.98 0.00 0.00 173.24 171.67 2gbv s ARG 143 N -4.79 3.47 -0.09 4.02 0.52 -1.26 -0.87 118.95 119.95 2gbv s ARG 143 Ca 0.64 -0.46 -0.05 0.00 -0.52 0.00 0.00 55.73 55.35 2gbv s ARG 143 Cb -0.20 -3.84 -0.27 0.00 0.52 0.00 0.00 34.95 31.17 2gbv s ARG 143 CO 0.58 -0.61 0.47 -0.07 0.02 0.00 0.00 175.30 175.70 2gbv h LEU 144 N 8.85 0.41 -7.59 2.53 3.38 -1.37 -3.47 115.31 118.04 2gbv h LEU 144 Ca -0.29 -0.83 -0.09 0.00 0.09 0.00 0.00 57.88 56.76 2gbv h LEU 144 Cb 1.13 -0.13 -0.16 0.00 0.09 0.00 0.00 40.66 41.60 2gbv h LEU 144 CO 0.72 1.74 -0.25 0.00 0.09 0.00 0.00 178.44 180.74 2gbv s ALA 145 N -2.57 -0.61 0.05 1.53 0.00 -1.16 -4.17 121.76 114.83 2gbv s ALA 145 Ca -0.19 -0.14 -0.19 0.00 0.00 0.00 0.00 51.96 51.44 2gbv s ALA 145 Cb 0.07 0.41 0.04 0.00 0.00 0.00 0.00 23.12 23.63 2gbv s ALA 145 CO 0.79 -0.46 0.43 0.00 0.00 0.00 0.00 175.76 176.52 2gbv s ALA 146 N -3.00 -1.07 -0.21 0.00 0.00 0.40 -1.85 121.76 116.03 2gbv s ALA 146 Ca -0.02 0.33 -0.17 0.00 0.00 0.00 0.00 51.96 52.10 2gbv s ALA 146 Cb 0.01 0.39 0.06 0.00 0.00 0.00 0.00 23.12 23.58 2gbv s ALA 146 CO -0.06 -0.49 0.54 0.20 0.00 0.00 0.00 175.76 175.95 2gbv s GLY 147 N -2.08 -0.42 0.21 0.00 0.00 -0.48 -1.20 107.32 103.35 2gbv s GLY 147 Ca -0.04 1.61 -0.30 0.00 0.00 0.00 0.00 44.72 45.98 2gbv s GLY 147 CO -0.03 1.46 1.26 0.14 0.00 0.00 0.00 173.10 175.93 2gbv s VAL 148 N 0.54 3.31 -0.36 1.40 1.01 -1.26 -1.00 120.40 124.04 2gbv s VAL 148 Ca -0.02 1.11 -0.26 0.00 0.00 0.00 0.00 61.98 62.81 2gbv s VAL 148 Cb -0.04 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.64 2gbv s VAL 148 CO -0.03 0.18 0.93 -0.63 0.00 0.00 0.00 175.10 175.55 2gbv s ILE 149 N -0.09 4.60 0.23 2.22 1.01 0.48 -4.43 121.20 125.21 2gbv s ILE 149 Ca 0.54 1.26 0.09 0.00 0.00 0.00 0.00 60.65 62.54 2gbv s ILE 149 Cb -0.35 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 37.75 2gbv s ILE 149 CO 0.39 -0.50 -0.02 -0.83 0.00 0.00 0.00 174.94 173.98 2gbv s GLY 150 N 1.83 1.68 0.16 6.18 0.00 0.11 -0.34 107.32 116.94 2gbv s GLY 150 Ca 0.38 -1.55 -0.31 0.00 0.00 0.00 0.00 44.72 43.25 2gbv s GLY 150 CO 0.18 -1.60 1.35 -0.42 0.00 0.00 0.00 173.10 172.61 2gbv s ILE 151 N -2.06 3.22 0.20 0.90 1.01 -1.26 -0.94 121.20 122.27 2gbv s ILE 151 Ca 0.29 0.95 0.08 0.00 0.00 0.00 0.00 60.65 61.97 2gbv s ILE 151 Cb -0.08 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 2gbv s ILE 151 CO 0.19 0.11 -0.02 0.00 0.00 0.00 0.00 174.94 175.21 2gbv s ALA 152 N 0.55 3.13 -2.00 9.38 0.00 -0.43 -4.81 121.76 127.59 2gbv s ALA 152 Ca 0.60 -1.47 0.22 0.00 0.00 0.00 0.00 51.96 51.32 2gbv s ALA 152 Cb -0.37 -0.88 1.32 0.00 0.00 0.00 0.00 23.12 23.19 2gbv s ALA 152 CO 0.35 0.42 1.69 0.94 0.00 0.00 0.00 175.76 179.16