#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 4.87 0.09 0.00 2.01 -0.49 -4.94 115.64 117.18 2gbv s THR 2 Ca 0.00 0.62 0.05 0.00 0.31 0.00 0.00 61.69 62.67 2gbv s THR 2 Cb 0.00 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 2gbv s THR 2 CO 0.00 -0.03 -0.12 -0.54 -0.69 0.00 0.00 174.62 173.24 2gbv s LYS 3 N -2.68 0.87 0.20 4.92 1.02 -1.26 -1.24 119.74 121.57 2gbv s LYS 3 Ca 0.47 -1.10 -0.09 0.00 0.02 0.00 0.00 55.97 55.26 2gbv s LYS 3 Cb -0.12 -0.69 -0.01 0.00 -0.52 0.00 0.00 37.83 36.49 2gbv s LYS 3 CO 0.20 0.13 0.33 0.00 -0.92 0.00 0.00 175.35 175.09 2gbv s ALA 4 N -2.00 0.12 -0.02 5.17 0.00 -0.34 -1.28 121.76 123.41 2gbv s ALA 4 Ca 0.04 -1.02 -0.17 0.00 0.00 0.00 0.00 51.96 50.81 2gbv s ALA 4 Cb -0.06 1.03 0.03 0.00 0.00 0.00 0.00 23.12 24.12 2gbv s ALA 4 CO 0.01 -0.71 0.35 0.54 0.00 0.00 0.00 175.76 175.95 2gbv s VAL 5 N -4.02 0.05 -0.04 0.00 0.11 0.03 -0.86 120.40 115.67 2gbv s VAL 5 Ca 0.23 -0.42 0.01 0.00 -2.93 0.00 0.00 61.98 58.87 2gbv s VAL 5 Cb 0.03 -0.66 0.02 0.00 -1.53 0.00 0.00 36.38 34.23 2gbv s VAL 5 CO 0.05 -0.23 -0.06 0.00 -3.33 0.00 0.00 175.10 171.53 2gbv s ALA 6 N -1.32 0.71 -0.37 1.54 0.00 0.04 -0.73 121.76 121.64 2gbv s ALA 6 Ca -0.13 -0.14 -0.13 0.00 0.00 0.00 0.00 51.96 51.57 2gbv s ALA 6 Cb -0.05 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.71 2gbv s ALA 6 CO 0.05 0.04 0.24 0.08 0.00 0.00 0.00 175.76 176.17 2gbv s VAL 7 N 0.65 4.97 -0.14 0.00 1.01 -1.26 -0.93 120.40 124.70 2gbv s VAL 7 Ca -0.09 -0.60 -0.24 0.00 0.00 0.00 0.00 61.98 61.05 2gbv s VAL 7 Cb -0.12 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 2gbv s VAL 7 CO 0.01 -0.17 0.77 -0.76 0.00 0.00 0.00 175.10 174.94 2gbv s LEU 8 N 1.64 4.22 0.04 3.92 1.43 0.79 -3.95 118.68 126.77 2gbv s LEU 8 Ca 0.04 1.14 -0.01 0.00 -1.03 0.00 0.00 54.13 54.28 2gbv s LEU 8 Cb -0.18 -3.15 -0.03 0.00 0.03 0.00 0.00 46.19 42.86 2gbv s LEU 8 CO 0.09 -0.29 -0.03 -0.54 0.23 0.00 0.00 176.35 175.80 2gbv s LYS 9 N 1.69 0.50 0.00 1.70 1.02 -0.66 -1.99 119.74 122.00 2gbv s LYS 9 Ca 0.37 -0.98 0.00 0.00 0.02 0.00 0.00 55.97 55.38 2gbv s LYS 9 Cb -0.17 0.16 0.00 0.00 -0.52 0.00 0.00 37.83 37.30 2gbv s LYS 9 CO 0.14 -0.08 0.00 0.41 -0.92 0.00 0.00 175.35 174.90 2gbv n GLY 10 N 0.70 2.98 0.20 -3.33 0.00 -1.25 -1.16 105.19 103.33 2gbv n GLY 10 Ca -0.18 -1.09 0.11 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.77 1.61 3.32 -1.92 -3.47 116.42 114.20 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 0.07 0.00 0.61 -1.72 0.00 0.00 179.24 178.20 2gbv n GLY 12 N 1.13 2.42 0.02 2.75 0.00 -1.26 -5.02 105.19 105.22 2gbv n GLY 12 Ca 0.03 -2.03 0.14 0.00 0.00 0.00 0.00 46.02 44.16 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 0.18 -2.23 1.61 -0.04 -1.26 -4.87 135.00 128.38 2gbv n PRO 13 Ca 0.00 -0.03 -0.42 0.00 -0.04 0.00 0.00 63.50 63.01 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 -2.84 3.68 0.01 0.52 1.01 -1.26 -4.39 120.40 117.12 2gbv s VAL 14 Ca 0.18 1.10 -0.15 0.00 0.00 0.00 0.00 61.98 63.12 2gbv s VAL 14 Cb 0.19 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.89 2gbv s VAL 14 CO 0.53 0.02 0.32 0.00 0.00 0.00 0.00 175.10 175.97 2gbv s GLN 15 N 2.07 0.74 0.07 2.72 -2.07 -0.88 -3.76 119.66 118.54 2gbv s GLN 15 Ca 0.63 -0.30 -0.28 0.00 -1.82 0.00 0.00 55.36 53.60 2gbv s GLN 15 Cb -0.32 0.32 0.09 0.00 -1.09 0.00 0.00 33.01 32.02 2gbv s GLN 15 CO 0.27 -0.22 1.10 0.20 -1.32 0.00 0.00 175.29 175.33 2gbv s GLY 16 N -1.61 -0.32 -0.10 2.60 0.00 -0.84 -0.63 107.32 106.43 2gbv s GLY 16 Ca -0.10 0.44 0.01 0.00 0.00 0.00 0.00 44.72 45.07 2gbv s GLY 16 CO 0.02 0.08 -0.10 -0.42 0.00 0.00 0.00 173.10 172.68 2gbv s ILE 17 N -2.89 1.10 -0.12 0.90 1.01 -0.79 -0.15 121.20 120.26 2gbv s ILE 17 Ca 0.13 -0.38 0.03 0.00 0.00 0.00 0.00 60.65 60.42 2gbv s ILE 17 Cb 0.01 -1.06 0.01 0.00 0.01 0.00 0.00 42.46 41.43 2gbv s ILE 17 CO -0.01 0.37 -0.21 -0.63 0.00 0.00 0.00 174.94 174.46 2gbv s ILE 18 N 1.27 1.93 0.02 2.92 -1.09 -0.11 -2.31 121.20 123.84 2gbv s ILE 18 Ca -0.03 -0.91 -0.01 0.00 -2.23 0.00 0.00 60.65 57.47 2gbv s ILE 18 Cb -0.14 -1.70 -0.04 0.00 -1.58 0.00 0.00 42.46 39.00 2gbv s ILE 18 CO -0.04 0.53 0.18 0.20 -1.23 0.00 0.00 174.94 174.58 2gbv s ASN 19 N 0.75 6.29 -0.04 3.58 0.01 0.14 -0.78 114.94 124.90 2gbv s ASN 19 Ca -0.10 0.29 0.04 0.00 -0.71 0.00 0.00 52.86 52.38 2gbv s ASN 19 Cb -0.16 -1.94 -0.00 0.00 0.41 0.00 0.00 41.25 39.56 2gbv s ASN 19 CO 0.00 0.22 -0.14 -0.36 -1.51 0.00 0.00 177.10 175.31 2gbv s PHE 20 N -1.40 1.44 -0.01 2.20 0.08 -0.04 -1.30 117.98 118.95 2gbv s PHE 20 Ca 0.30 -0.40 -0.00 0.00 0.12 0.00 0.00 56.93 56.95 2gbv s PHE 20 Cb -0.13 -0.99 0.01 0.00 -0.57 0.00 0.00 43.02 41.35 2gbv s PHE 20 CO 0.23 -0.14 0.01 -2.00 -0.10 0.00 0.00 175.22 173.22 2gbv s GLU 21 N 0.10 -0.01 -0.24 0.44 2.12 -0.18 -1.20 118.70 119.73 2gbv s GLU 21 Ca -0.04 0.08 -0.03 0.00 0.36 0.00 0.00 54.97 55.35 2gbv s GLU 21 Cb -0.10 -0.10 0.08 0.00 0.26 0.00 0.00 34.13 34.26 2gbv s GLU 21 CO 0.02 -0.07 0.08 -1.14 -0.54 0.00 0.00 175.26 173.60 2gbv s GLN 22 N 0.44 0.48 0.21 4.30 0.74 -0.37 -0.62 119.66 124.84 2gbv s GLN 22 Ca -0.04 -0.54 -0.07 0.00 0.05 0.00 0.00 55.36 54.77 2gbv s GLN 22 Cb -0.05 -1.84 0.17 0.00 1.10 0.00 0.00 33.01 32.39 2gbv s GLN 22 CO -0.01 -0.80 1.71 0.87 -0.55 0.00 0.00 175.29 176.50 2gbv h LYS 23 N 8.27 1.02 -5.10 1.67 1.79 -1.83 -1.30 116.57 121.09 2gbv h LYS 23 Ca -0.16 -0.28 -0.40 0.00 -2.18 0.00 0.00 60.65 57.63 2gbv h LYS 23 Cb 1.08 -0.12 -0.24 0.00 -1.58 0.00 0.00 32.23 31.37 2gbv h LYS 23 CO 0.38 0.96 -0.78 -1.21 -1.08 0.00 0.00 179.45 177.72 2gbv s GLU 24 N -5.13 0.80 0.63 3.15 0.41 -1.26 -3.22 118.70 114.08 2gbv s GLU 24 Ca -0.11 -0.74 0.36 0.00 -0.41 0.00 0.00 54.97 54.07 2gbv s GLU 24 Cb 0.14 -0.76 2.06 0.00 -1.78 0.00 0.00 34.13 33.79 2gbv s GLU 24 CO 0.84 0.18 2.27 0.66 -0.49 0.00 0.00 175.26 178.72 2gbv h SER 25 N 4.84 0.00 -0.42 -0.19 4.64 -1.98 -0.08 113.55 120.37 2gbv h SER 25 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2gbv h SER 25 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2gbv h SER 25 CO 0.43 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.98 2gbv n ASN 26 N -3.45 3.20 -4.85 4.97 5.03 -1.26 -4.92 115.26 113.97 2gbv n ASN 26 Ca -0.02 -1.94 -0.22 0.00 0.87 0.00 0.00 54.58 53.28 2gbv n ASN 26 Cb 0.13 -0.28 0.08 0.00 -1.02 0.00 0.00 39.78 38.69 2gbv n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2gbv s GLY 27 N -1.09 1.78 0.79 7.41 0.00 -0.04 -5.08 107.32 111.09 2gbv s GLY 27 Ca 0.32 -1.76 -0.11 0.00 0.00 0.00 0.00 44.72 43.17 2gbv s GLY 27 CO 0.23 -1.30 1.10 2.56 0.00 0.00 0.00 173.10 175.70 2gbv s PRO 28 N -4.89 2.05 -0.24 2.90 0.04 -1.26 -4.89 135.00 128.71 2gbv s PRO 28 Ca 0.63 1.26 -0.08 0.00 0.04 0.00 0.00 61.00 62.86 2gbv s PRO 28 Cb -0.07 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 2gbv s PRO 28 CO 0.41 -1.81 0.08 0.08 0.04 0.00 0.00 177.00 175.80 2gbv s VAL 29 N -2.81 4.44 -0.03 -0.36 1.01 0.24 -4.41 120.40 118.49 2gbv s VAL 29 Ca 0.63 -0.13 -0.27 0.00 0.00 0.00 0.00 61.98 62.21 2gbv s VAL 29 Cb -0.19 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 2gbv s VAL 29 CO 0.55 0.34 0.85 -0.54 0.00 0.00 0.00 175.10 176.31 2gbv s LYS 30 N 1.49 4.51 -0.15 2.72 1.02 0.20 -1.41 119.74 128.13 2gbv s LYS 30 Ca 0.06 1.17 0.02 0.00 0.02 0.00 0.00 55.97 57.24 2gbv s LYS 30 Cb -0.15 -3.45 0.01 0.00 -0.52 0.00 0.00 37.83 33.73 2gbv s LYS 30 CO 0.04 0.02 -0.20 0.08 -0.92 0.00 0.00 175.35 174.37 2gbv s VAL 31 N 0.86 1.94 0.03 3.17 1.01 0.16 -1.01 120.40 126.56 2gbv s VAL 31 Ca 0.45 -0.89 -0.19 0.00 0.00 0.00 0.00 61.98 61.35 2gbv s VAL 31 Cb -0.20 -1.74 0.04 0.00 0.00 0.00 0.00 36.38 34.48 2gbv s VAL 31 CO 0.24 0.52 0.43 -1.66 0.00 0.00 0.00 175.10 174.63 2gbv s TRP 32 N 1.05 -0.30 -5.00 5.22 -2.14 -0.42 0.36 118.94 117.72 2gbv s TRP 32 Ca -0.02 0.33 0.00 0.00 2.66 0.00 0.00 56.10 59.07 2gbv s TRP 32 Cb -0.14 0.22 0.00 0.00 -3.10 0.00 0.00 33.47 30.45 2gbv s TRP 32 CO -0.06 -0.55 0.00 0.41 -2.66 0.00 0.00 176.95 174.09 2gbv n GLY 33 N 0.65 -0.41 2.90 3.67 0.00 -0.59 0.28 105.19 111.69 2gbv n GLY 33 Ca -0.19 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.03 -0.08 1.61 0.15 -0.98 0.05 113.70 110.41 2gbv s SER 34 Ca 0.00 0.09 0.03 0.00 0.70 0.00 0.00 55.95 56.77 2gbv s SER 34 Cb 0.00 0.07 0.01 0.00 -1.71 0.00 0.00 66.02 64.39 2gbv s SER 34 CO 0.00 -0.03 -0.18 -0.63 1.20 0.00 0.00 173.24 173.60 2gbv s ILE 35 N 0.20 1.57 0.43 6.45 1.01 -0.08 -1.88 121.20 128.90 2gbv s ILE 35 Ca -0.02 -0.73 0.06 0.00 0.00 0.00 0.00 60.65 59.97 2gbv s ILE 35 Cb -0.02 -1.39 -0.07 0.00 0.01 0.00 0.00 42.46 40.99 2gbv s ILE 35 CO -0.01 0.45 0.01 -1.59 0.00 0.00 0.00 174.94 173.80 2gbv s LYS 36 N 0.55 2.00 -0.02 2.79 -2.85 0.20 0.18 119.74 122.59 2gbv s LYS 36 Ca -0.16 -2.16 0.00 0.00 -1.00 0.00 0.00 55.97 52.65 2gbv s LYS 36 Cb -0.17 -1.62 0.00 0.00 -2.06 0.00 0.00 37.83 33.98 2gbv s LYS 36 CO 0.06 -0.10 0.00 0.41 0.10 0.00 0.00 175.35 175.81 2gbv n GLY 37 N -1.02 0.40 3.86 0.59 0.00 -0.86 -2.07 105.19 106.09 2gbv n GLY 37 Ca -0.07 -1.08 -0.31 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.05 4.13 0.45 0.99 1.43 -0.34 -4.17 118.68 121.11 2gbv s LEU 38 Ca 0.00 0.16 -0.22 0.00 -1.03 0.00 0.00 54.13 53.03 2gbv s LEU 38 Cb 0.00 -2.76 -0.08 0.00 0.03 0.00 0.00 46.19 43.39 2gbv s LEU 38 CO 0.00 0.17 1.11 0.42 0.23 0.00 0.00 176.35 178.28 2gbv s THR 39 N -1.45 3.39 0.27 5.49 -4.23 -1.26 -4.12 115.64 113.73 2gbv s THR 39 Ca 0.32 1.01 -0.30 0.00 -1.18 0.00 0.00 61.69 61.54 2gbv s THR 39 Cb -0.13 -3.49 -0.13 0.00 1.34 0.00 0.00 72.50 70.10 2gbv s THR 39 CO 0.25 -0.05 1.42 1.21 -0.54 0.00 0.00 174.62 176.91 2gbv n GLU 40 N -0.52 2.19 0.00 3.99 2.13 -1.26 -4.61 120.64 122.56 2gbv n GLU 40 Ca 0.07 0.78 0.00 0.00 0.66 0.00 0.00 57.16 58.67 2gbv n GLU 40 Cb 0.49 -2.44 0.00 0.00 0.27 0.00 0.00 31.44 29.76 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 1.85 -0.25 3.76 8.31 0.00 -0.25 -4.91 105.19 113.69 2gbv n GLY 41 Ca 0.09 -2.20 -0.39 0.00 0.00 0.00 0.00 46.02 43.52 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 4.59 -0.03 0.99 1.43 -1.26 -0.70 118.68 123.70 2gbv s LEU 42 Ca 0.00 1.92 0.00 0.00 -1.03 0.00 0.00 54.13 55.02 2gbv s LEU 42 Cb 0.00 -3.68 0.03 0.00 0.03 0.00 0.00 46.19 42.57 2gbv s LEU 42 CO 0.00 0.12 0.01 -1.00 0.23 0.00 0.00 176.35 175.71 2gbv s HIS 43 N -1.26 0.28 0.47 0.29 3.76 0.05 -3.04 115.29 115.84 2gbv s HIS 43 Ca 0.43 0.03 -0.24 0.00 -0.15 0.00 0.00 55.06 55.12 2gbv s HIS 43 Cb -0.25 -0.42 -0.08 0.00 1.11 0.00 0.00 32.58 32.94 2gbv s HIS 43 CO 0.30 -0.14 1.21 0.41 -0.85 0.00 0.00 174.74 175.67 2gbv n GLY 44 N 4.29 0.37 2.64 -2.22 0.00 -0.20 -1.04 105.19 109.03 2gbv n GLY 44 Ca -0.24 0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.26 0.04 0.04 1.61 5.36 -0.23 -0.53 117.98 123.00 2gbv s PHE 45 Ca 0.65 -0.36 -0.00 0.00 -0.96 0.00 0.00 56.93 56.26 2gbv s PHE 45 Cb -0.49 -0.65 -0.03 0.00 -0.34 0.00 0.00 43.02 41.51 2gbv s PHE 45 CO 0.55 -0.69 -0.04 -1.01 -1.46 0.00 0.00 175.22 172.57 2gbv s HIS 46 N 2.20 0.43 -0.24 10.12 3.76 -0.72 -2.61 115.29 128.23 2gbv s HIS 46 Ca 0.06 -0.74 -0.19 0.00 -0.15 0.00 0.00 55.06 54.04 2gbv s HIS 46 Cb -0.16 -0.30 -0.03 0.00 1.11 0.00 0.00 32.58 33.21 2gbv s HIS 46 CO -0.22 -0.25 0.55 0.08 -0.85 0.00 0.00 174.74 174.05 2gbv s VAL 47 N -2.46 5.06 0.28 -0.90 1.01 -0.27 -0.66 120.40 122.46 2gbv s VAL 47 Ca -0.06 0.98 -0.00 0.00 0.00 0.00 0.00 61.98 62.90 2gbv s VAL 47 Cb -0.03 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2gbv s VAL 47 CO -0.04 0.10 0.48 -1.00 0.00 0.00 0.00 175.10 174.63 2gbv s HIS 48 N 2.13 3.49 0.16 5.22 3.76 0.21 -0.57 115.29 129.68 2gbv s HIS 48 Ca 0.24 0.34 -0.15 0.00 -0.15 0.00 0.00 55.06 55.33 2gbv s HIS 48 Cb -0.16 -1.87 0.04 0.00 1.11 0.00 0.00 32.58 31.71 2gbv s HIS 48 CO 0.09 0.25 1.81 1.49 -0.85 0.00 0.00 174.74 177.53 2gbv h GLU 49 N 1.34 0.52 -5.74 1.40 4.81 -0.52 -2.64 114.58 113.75 2gbv h GLU 49 Ca -0.49 -0.03 -0.66 0.00 -0.13 0.00 0.00 59.36 58.05 2gbv h GLU 49 Cb 1.21 -0.12 -0.17 0.00 0.63 0.00 0.00 28.75 30.30 2gbv h GLU 49 CO 0.64 0.35 -0.63 -0.06 -0.73 0.00 0.00 179.01 178.58 2gbv s PHE 50 N -6.16 3.13 -0.46 0.92 0.08 0.10 -4.67 117.98 110.92 2gbv s PHE 50 Ca -0.13 0.05 -0.05 0.00 0.12 0.00 0.00 56.93 56.92 2gbv s PHE 50 Cb 0.11 -1.86 -0.02 0.00 -0.57 0.00 0.00 43.02 40.68 2gbv s PHE 50 CO 0.73 0.30 2.97 0.41 -0.10 0.00 0.00 175.22 179.53 2gbv n GLY 51 N 2.65 4.08 3.14 4.36 0.00 -1.06 -3.68 105.19 114.68 2gbv n GLY 51 Ca -0.18 -1.71 -0.34 0.00 0.00 0.00 0.00 46.02 43.78 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 0.85 4.82 -0.31 1.61 -1.08 -1.26 -4.95 116.67 116.34 2gbv s ASP 52 Ca 0.61 -1.40 0.09 0.00 -0.52 0.00 0.00 52.55 51.33 2gbv s ASP 52 Cb 0.34 -1.68 0.59 0.00 -1.46 0.00 0.00 42.92 40.71 2gbv s ASP 52 CO -0.15 -0.27 1.62 -3.20 0.52 0.00 0.00 175.17 173.69 2gbv n ASN 53 N 4.56 3.40 0.15 -0.34 4.05 -1.26 -3.15 115.26 122.68 2gbv n ASN 53 Ca -0.12 -3.52 0.03 0.00 0.45 0.00 0.00 54.58 51.42 2gbv n ASN 53 Cb 0.43 -0.69 0.41 0.00 1.23 0.00 0.00 39.78 41.16 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 1.42 1.18 -1.56 -0.44 1.35 -1.93 -3.02 112.91 109.91 2gbv h THR 54 Ca 0.29 -0.84 -0.54 0.00 -0.55 0.00 0.00 66.41 64.77 2gbv h THR 54 Cb 2.02 1.33 -0.42 0.00 -1.73 0.00 0.00 68.15 69.35 2gbv h THR 54 CO 0.59 0.25 -0.83 0.00 -0.25 0.00 0.00 175.52 175.28 2gbv n ALA 55 N -2.49 4.54 -0.53 6.62 0.00 -1.26 -5.06 120.51 122.33 2gbv n ALA 55 Ca -0.01 -4.11 0.00 0.00 0.00 0.00 0.00 53.44 49.31 2gbv n ALA 55 Cb 0.29 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 -0.33 -0.01 0.31 0.00 0.00 -1.14 -3.00 105.19 101.01 2gbv n GLY 56 Ca 0.31 -0.99 0.19 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.53 1.11 -0.92 4.61 0.00 -1.89 -3.21 119.26 118.42 2gbv h ALA 57 Ca 0.00 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.93 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 0.03 0.59 1.15 0.00 0.00 0.00 179.25 181.03 2gbv h THR 58 N 0.00 1.12 0.00 0.00 2.02 -1.87 -2.52 112.91 111.66 2gbv h THR 58 Ca -0.00 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.80 2gbv h THR 58 Cb 0.19 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 2gbv h THR 58 CO 0.00 0.20 0.00 -1.54 0.37 0.00 0.00 175.52 174.56 2gbv n SER 59 N -4.53 0.00 0.00 4.18 3.41 -1.21 -3.44 113.62 112.02 2gbv n SER 59 Ca 0.13 -1.14 0.10 0.00 -0.26 0.00 0.00 58.87 57.70 2gbv n SER 59 Cb 0.13 0.00 0.48 0.00 -0.26 0.00 0.00 64.21 64.56 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 -0.88 2.02 -0.41 7.33 0.00 -0.95 -4.48 120.51 123.14 2gbv n ALA 60 Ca 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2gbv n ALA 60 Cb 0.08 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 0.61 -0.98 2.44 0.00 0.00 -1.22 -0.72 105.19 105.31 2gbv n GLY 61 Ca 0.07 -1.17 -0.18 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.79 -1.84 1.61 -0.04 -1.26 -4.55 135.00 127.76 2gbv n PRO 62 Ca 0.00 -1.31 -0.41 0.00 -0.04 0.00 0.00 63.50 61.74 2gbv n PRO 62 Cb 0.00 -0.85 -0.00 0.00 -0.04 0.00 0.00 33.50 32.60 2gbv n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2gbv s HIS 63 N -2.81 2.66 -0.08 0.54 3.76 -1.26 -0.44 115.29 117.66 2gbv s HIS 63 Ca 0.47 1.18 -0.31 0.00 -0.15 0.00 0.00 55.06 56.25 2gbv s HIS 63 Cb -0.01 -3.98 -0.09 0.00 1.11 0.00 0.00 32.58 29.61 2gbv s HIS 63 CO 0.33 -2.87 2.02 0.34 -0.85 0.00 0.00 174.74 173.71 2gbv n PHE 64 N 0.60 2.29 -3.12 1.40 7.35 0.26 -4.50 117.46 121.74 2gbv n PHE 64 Ca 0.01 -0.18 -0.17 0.00 -0.76 0.00 0.00 57.45 56.35 2gbv n PHE 64 Cb 0.39 -2.73 -0.02 0.00 0.35 0.00 0.00 39.48 37.47 2gbv n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2gbv n ASN 65 N 8.31 0.29 0.28 -2.13 5.15 -1.26 -1.22 115.26 124.68 2gbv n ASN 65 Ca 0.24 -3.08 0.15 0.00 -0.60 0.00 0.00 54.58 51.29 2gbv n ASN 65 Cb 0.37 -0.24 0.83 0.00 -0.53 0.00 0.00 39.78 40.21 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 3.10 0.00 -0.66 1.20 0.13 -1.94 -1.66 132.00 132.17 2gbv h PRO 66 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 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 0.44 0.07 0.00 1.28 -0.23 0.00 0.00 178.00 179.57 2gbv n LEU 67 N -3.55 3.89 -3.92 1.56 4.77 -1.26 -4.98 117.00 113.51 2gbv n LEU 67 Ca -0.02 -1.95 -0.26 0.00 -0.03 0.00 0.00 56.01 53.75 2gbv n LEU 67 Cb 0.19 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 40.78 2gbv n LEU 67 CO 0.28 0.82 -0.21 -1.20 -1.33 0.00 0.00 177.39 175.75 2gbv n SER 68 N 1.25 -0.85 -4.96 -1.43 7.64 -0.63 -4.98 113.62 109.67 2gbv n SER 68 Ca 0.23 -1.01 -0.21 0.00 1.01 0.00 0.00 58.87 58.89 2gbv n SER 68 Cb 0.67 -3.09 0.01 0.00 -1.01 0.00 0.00 64.21 60.79 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 -6.50 2.47 0.51 1.43 1.81 -1.26 -5.12 118.95 112.28 2gbv s ARG 69 Ca 0.05 -1.61 -0.10 0.00 -1.72 0.00 0.00 55.73 52.36 2gbv s ARG 69 Cb -0.02 -2.48 -0.05 0.00 -0.45 0.00 0.00 34.95 31.95 2gbv s ARG 69 CO 0.89 -0.50 0.88 0.15 -0.68 0.00 0.00 175.30 176.03 2gbv s LYS 70 N -4.37 3.67 0.35 3.54 -0.14 -1.26 -4.73 119.74 116.80 2gbv s LYS 70 Ca 0.51 0.52 -0.29 0.00 -1.36 0.00 0.00 55.97 55.35 2gbv s LYS 70 Cb -0.05 -2.26 -0.11 0.00 -1.68 0.00 0.00 37.83 33.73 2gbv s LYS 70 CO 0.31 -0.28 1.47 -1.58 -0.76 0.00 0.00 175.35 174.51 2gbv s HIS 71 N -2.77 2.71 0.16 3.18 5.65 -0.13 -3.24 115.29 120.85 2gbv s HIS 71 Ca 0.52 1.15 0.00 0.00 0.25 0.00 0.00 55.06 56.98 2gbv s HIS 71 Cb -0.10 -3.96 0.00 0.00 -1.18 0.00 0.00 32.58 27.33 2gbv s HIS 71 CO 0.43 -2.87 0.21 0.41 -0.65 0.00 0.00 174.74 172.27 2gbv n GLY 72 N 0.83 2.82 3.94 1.59 0.00 -1.24 -4.30 105.19 108.82 2gbv n GLY 72 Ca 0.02 -1.55 -0.25 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.04 1.67 0.55 -0.02 0.00 -1.22 -4.67 107.32 101.59 2gbv s GLY 73 Ca 0.15 -0.95 0.23 0.00 0.00 0.00 0.00 44.72 44.14 2gbv s GLY 73 CO 0.10 -0.65 2.18 -0.56 0.00 0.00 0.00 173.10 174.18 2gbv h PRO 74 N -0.17 0.00 0.00 2.90 0.13 -1.87 -1.88 132.00 131.12 2gbv h PRO 74 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 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 0.58 0.02 -0.06 1.63 -0.23 0.00 0.00 178.00 179.94 2gbv n LYS 75 N -4.15 0.04 -2.71 0.86 5.02 -1.26 -4.87 118.16 111.09 2gbv n LYS 75 Ca -0.03 0.03 -0.37 0.00 -2.02 0.00 0.00 58.31 55.92 2gbv n LYS 75 Cb 0.11 -1.54 -0.06 0.00 -0.02 0.00 0.00 35.03 33.52 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 -3.21 7.23 0.13 4.39 1.01 -0.71 -4.97 116.67 120.53 2gbv s ASP 76 Ca 0.13 1.91 -0.13 0.00 0.71 0.00 0.00 52.55 55.17 2gbv s ASP 76 Cb 0.18 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.49 2gbv s ASP 76 CO 0.56 -0.15 1.51 -0.08 0.21 0.00 0.00 175.17 177.22 2gbv h GLU 77 N 3.10 0.81 -5.84 8.23 4.57 -1.89 -3.37 114.58 120.18 2gbv h GLU 77 Ca -0.47 -0.34 -0.60 0.00 -1.18 0.00 0.00 59.36 56.77 2gbv h GLU 77 Cb 1.20 -0.03 -0.12 0.00 -0.16 0.00 0.00 28.75 29.64 2gbv h GLU 77 CO 0.65 0.97 0.92 -2.00 -1.18 0.00 0.00 179.01 178.36 2gbv s GLU 78 N -4.68 3.27 0.17 1.92 2.56 -1.26 -4.95 118.70 115.73 2gbv s GLU 78 Ca -0.12 -0.76 -0.17 0.00 0.00 0.00 0.00 54.97 53.92 2gbv s GLU 78 Cb 0.10 -4.46 0.03 0.00 2.00 0.00 0.00 34.13 31.80 2gbv s GLU 78 CO 0.83 -2.00 0.48 -0.98 -0.56 0.00 0.00 175.26 173.03 2gbv s ARG 79 N 4.68 1.27 0.42 4.30 1.70 -1.20 -3.73 118.95 126.40 2gbv s ARG 79 Ca 0.32 -0.82 -0.22 0.00 -0.47 0.00 0.00 55.73 54.54 2gbv s ARG 79 Cb -0.10 0.50 -0.10 0.00 -0.57 0.00 0.00 34.95 34.69 2gbv s ARG 79 CO 0.07 -0.53 0.99 -1.01 -1.08 0.00 0.00 175.30 173.74 2gbv s HIS 80 N -3.85 3.27 0.32 5.89 3.76 -1.22 -4.66 115.29 118.80 2gbv s HIS 80 Ca 0.07 1.63 0.06 0.00 -0.15 0.00 0.00 55.06 56.67 2gbv s HIS 80 Cb 0.00 -2.98 0.70 0.00 1.11 0.00 0.00 32.58 31.41 2gbv s HIS 80 CO -0.06 -0.37 1.84 0.28 -0.85 0.00 0.00 174.74 175.59 2gbv h VAL 81 N 1.98 0.85 0.00 -0.90 2.07 -1.81 -1.66 116.25 116.79 2gbv h VAL 81 Ca -0.49 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2gbv h VAL 81 Cb 1.20 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2gbv h VAL 81 CO 0.61 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.96 2gbv n GLY 82 N -1.38 -0.81 3.52 2.17 0.00 -0.35 -4.29 105.19 104.04 2gbv n GLY 82 Ca 0.19 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.62 6.32 0.00 1.61 1.01 -0.63 -1.11 116.67 122.26 2gbv s ASP 83 Ca 0.20 -1.06 0.22 0.00 0.71 0.00 0.00 52.55 52.62 2gbv s ASP 83 Cb 0.09 -2.52 0.61 0.00 1.01 0.00 0.00 42.92 42.11 2gbv s ASP 83 CO 0.16 -1.57 1.51 0.18 0.21 0.00 0.00 175.17 175.66 2gbv n LEU 84 N 8.56 3.84 0.00 1.23 4.77 -1.07 -3.71 117.00 130.62 2gbv n LEU 84 Ca 0.13 -1.97 0.00 0.00 -0.03 0.00 0.00 56.01 54.14 2gbv n LEU 84 Cb 0.49 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2gbv n LEU 84 CO 0.66 0.96 0.00 0.61 -1.33 0.00 0.00 177.39 178.28 2gbv n GLY 85 N 1.54 0.30 3.35 -0.72 0.00 -1.19 -4.79 105.19 103.67 2gbv n GLY 85 Ca 0.23 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 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 2.88 0.22 1.61 0.01 -1.26 -1.07 114.94 113.34 2gbv s ASN 86 Ca 0.00 -0.81 0.08 0.00 -0.71 0.00 0.00 52.86 51.42 2gbv s ASN 86 Cb 0.00 -0.18 -0.04 0.00 0.41 0.00 0.00 41.25 41.44 2gbv s ASN 86 CO 0.00 0.05 0.08 0.68 -1.51 0.00 0.00 177.10 176.40 2gbv s VAL 87 N -1.64 3.99 -0.18 1.60 -7.23 -0.21 -4.91 120.40 111.82 2gbv s VAL 87 Ca 0.14 -1.51 0.00 0.00 -1.81 0.00 0.00 61.98 58.81 2gbv s VAL 87 Cb -0.08 -3.09 0.01 0.00 0.56 0.00 0.00 36.38 33.78 2gbv s VAL 87 CO 0.07 -0.26 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.54 2gbv s THR 88 N -2.03 2.43 -0.05 5.32 2.01 -1.26 -0.77 115.64 121.29 2gbv s THR 88 Ca 0.31 -0.82 -0.18 0.00 0.31 0.00 0.00 61.69 61.31 2gbv s THR 88 Cb -0.08 -2.04 -0.05 0.00 0.01 0.00 0.00 72.50 70.34 2gbv s THR 88 CO 0.22 0.51 0.49 0.00 -0.69 0.00 0.00 174.62 175.15 2gbv s ALA 89 N 1.18 3.54 1.06 7.40 0.00 0.13 -4.16 121.76 130.91 2gbv s ALA 89 Ca 0.02 -0.14 -0.15 0.00 0.00 0.00 0.00 51.96 51.68 2gbv s ALA 89 Cb -0.14 -2.60 0.21 0.00 0.00 0.00 0.00 23.12 20.60 2gbv s ALA 89 CO -0.07 0.18 1.08 -0.40 0.00 0.00 0.00 175.76 176.55 2gbv n ASP 90 N 2.89 -0.51 0.30 0.00 5.68 0.21 -1.10 116.55 124.02 2gbv n ASP 90 Ca -0.09 -1.31 0.18 0.00 -0.50 0.00 0.00 54.79 53.07 2gbv n ASP 90 Cb 0.52 -0.87 0.91 0.00 -1.14 0.00 0.00 41.12 40.54 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 -0.28 0.11 2.10 -1.97 -2.03 116.57 114.51 2gbv h LYS 91 Ca -0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 2gbv h LYS 91 Cb 1.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.36 2gbv h LYS 91 CO 0.25 0.04 0.00 -0.25 -2.00 0.00 0.00 179.45 177.49 2gbv n ASP 92 N -3.30 1.72 0.00 7.07 8.00 -1.26 -4.90 116.55 123.89 2gbv n ASP 92 Ca -0.02 -1.90 0.00 0.00 0.71 0.00 0.00 54.79 53.58 2gbv n ASP 92 Cb 0.19 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 1.06 0.62 3.34 0.44 0.00 -0.76 -4.85 105.19 105.04 2gbv n GLY 93 Ca 0.13 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 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 3.09 -0.39 1.61 1.01 -1.26 -1.20 120.40 121.26 2gbv s VAL 94 Ca 0.00 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 2gbv s VAL 94 Cb 0.00 -2.33 0.02 0.00 0.00 0.00 0.00 36.38 34.07 2gbv s VAL 94 CO 0.00 0.50 0.26 0.00 0.00 0.00 0.00 175.10 175.86 2gbv s ALA 95 N 0.70 3.39 -0.20 5.51 0.00 0.13 -0.62 121.76 130.67 2gbv s ALA 95 Ca -0.05 -1.72 -0.27 0.00 0.00 0.00 0.00 51.96 49.92 2gbv s ALA 95 Cb -0.15 -2.76 -0.00 0.00 0.00 0.00 0.00 23.12 20.21 2gbv s ALA 95 CO 0.02 -1.42 0.92 -0.51 0.00 0.00 0.00 175.76 174.76 2gbv s ASP 96 N 1.62 7.00 -0.16 0.00 1.01 -1.26 -0.90 116.67 123.98 2gbv s ASP 96 Ca 0.04 1.24 -0.06 0.00 0.71 0.00 0.00 52.55 54.48 2gbv s ASP 96 Cb -0.19 -2.49 -0.04 0.00 1.01 0.00 0.00 42.92 41.21 2gbv s ASP 96 CO 0.09 -0.52 0.04 -0.69 0.21 0.00 0.00 175.17 174.30 2gbv s VAL 97 N 2.65 4.64 -0.27 -1.27 1.01 0.11 -4.79 120.40 122.48 2gbv s VAL 97 Ca 0.40 -0.09 -0.00 0.00 0.00 0.00 0.00 61.98 62.29 2gbv s VAL 97 Cb -0.16 -3.07 0.15 0.00 0.00 0.00 0.00 36.38 33.31 2gbv s VAL 97 CO 0.10 0.49 0.40 -0.55 0.00 0.00 0.00 175.10 175.54 2gbv s SER 98 N 0.16 0.24 0.05 3.32 0.15 -1.25 -1.55 113.70 114.83 2gbv s SER 98 Ca 0.04 -0.06 0.05 0.00 0.70 0.00 0.00 55.95 56.68 2gbv s SER 98 Cb -0.12 1.16 -0.03 0.00 -1.71 0.00 0.00 66.02 65.32 2gbv s SER 98 CO 0.01 -0.33 -0.14 -0.63 1.20 0.00 0.00 173.24 173.35 2gbv s ILE 99 N 2.56 1.12 -0.08 6.45 1.01 0.16 -5.00 121.20 127.42 2gbv s ILE 99 Ca 0.12 -1.15 0.03 0.00 0.00 0.00 0.00 60.65 59.64 2gbv s ILE 99 Cb -0.14 -1.04 0.01 0.00 0.01 0.00 0.00 42.46 41.30 2gbv s ILE 99 CO -0.24 -0.10 -0.16 -0.70 0.00 0.00 0.00 174.94 173.74 2gbv s GLU 100 N -1.43 2.08 -0.00 2.79 2.12 -1.26 0.38 118.70 123.38 2gbv s GLU 100 Ca -0.00 -0.55 0.00 0.00 0.36 0.00 0.00 54.97 54.79 2gbv s GLU 100 Cb -0.09 -1.66 0.00 0.00 0.26 0.00 0.00 34.13 32.64 2gbv s GLU 100 CO 0.02 0.07 -0.01 0.34 -0.54 0.00 0.00 175.26 175.14 2gbv s ASP 101 N 0.57 0.14 0.00 -1.70 2.15 -0.50 -4.96 116.67 112.37 2gbv s ASP 101 Ca -0.16 -0.02 0.15 0.00 0.43 0.00 0.00 52.55 52.95 2gbv s ASP 101 Cb -0.16 -0.02 0.21 0.00 -0.30 0.00 0.00 42.92 42.65 2gbv s ASP 101 CO 0.05 0.01 1.09 -1.20 -0.17 0.00 0.00 175.17 174.95 2gbv n SER 102 N 3.11 2.57 -0.12 -0.34 7.64 -1.26 -0.59 113.62 124.64 2gbv n SER 102 Ca -0.13 -1.75 -0.22 0.00 1.01 0.00 0.00 58.87 57.79 2gbv n SER 102 Cb 0.59 -0.10 -0.10 0.00 -1.01 0.00 0.00 64.21 63.59 2gbv n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2gbv n VAL 103 N 0.86 1.34 -1.59 0.44 0.31 -1.26 -4.93 118.33 113.50 2gbv n VAL 103 Ca 0.11 -0.42 -0.35 0.00 -0.01 0.00 0.00 64.34 63.68 2gbv n VAL 103 Cb 0.41 -1.60 0.08 0.00 -0.91 0.00 0.00 33.84 31.82 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 -2.45 2.42 0.09 2.52 -4.36 -1.26 -4.96 121.20 113.20 2gbv s ILE 104 Ca -0.33 0.22 -0.01 0.00 -0.26 0.00 0.00 60.65 60.28 2gbv s ILE 104 Cb 0.11 -2.85 -0.04 0.00 1.25 0.00 0.00 42.46 40.92 2gbv s ILE 104 CO 0.48 -0.10 -0.00 -0.55 0.24 0.00 0.00 174.94 175.01 2gbv s SER 105 N -1.95 0.55 0.00 4.36 0.15 -1.11 -4.63 113.70 111.07 2gbv s SER 105 Ca 0.75 -1.08 0.24 0.00 0.70 0.00 0.00 55.95 56.55 2gbv s SER 105 Cb -0.29 0.21 0.36 0.00 -1.71 0.00 0.00 66.02 64.59 2gbv s SER 105 CO 0.42 -0.63 1.36 0.18 1.20 0.00 0.00 173.24 175.78 2gbv n LEU 106 N 0.00 3.30 -4.01 3.45 4.77 -1.26 -1.18 117.00 122.07 2gbv n LEU 106 Ca -0.10 -1.32 -0.10 0.00 -0.03 0.00 0.00 56.01 54.46 2gbv n LEU 106 Cb 0.62 -0.17 -0.08 0.00 -2.33 0.00 0.00 43.42 41.47 2gbv n LEU 106 CO 0.30 0.66 -0.07 -0.94 -1.33 0.00 0.00 177.39 176.00 2gbv s SER 107 N -1.66 0.09 0.28 -1.43 1.04 -1.26 -4.76 113.70 106.00 2gbv s SER 107 Ca 0.35 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.83 2gbv s SER 107 Cb 0.22 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.75 2gbv s SER 107 CO 0.31 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.27 2gbv n GLY 108 N -0.20 -1.70 0.27 7.32 0.00 -1.26 -3.40 105.19 106.22 2gbv n GLY 108 Ca -0.06 -1.30 0.13 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.52 1.61 5.19 -2.00 -1.14 116.42 119.56 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 0.09 0.00 1.41 -3.12 0.00 0.00 179.24 177.62 2gbv n HIS 110 N -3.69 1.22 -1.87 4.55 8.25 -1.26 -4.96 115.22 117.46 2gbv n HIS 110 Ca -0.02 -0.48 -0.41 0.00 -0.26 0.00 0.00 57.72 56.54 2gbv n HIS 110 Cb 0.20 -0.22 -0.02 0.00 1.12 0.00 0.00 29.99 31.08 2gbv n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2gbv s ALA 111 N -1.81 3.69 -2.73 -1.41 0.00 -0.43 -2.73 121.76 116.34 2gbv s ALA 111 Ca 0.41 1.48 0.25 0.00 0.00 0.00 0.00 51.96 54.10 2gbv s ALA 111 Cb 0.27 -3.61 0.51 0.00 0.00 0.00 0.00 23.12 20.28 2gbv s ALA 111 CO 0.19 -0.89 1.44 0.44 0.00 0.00 0.00 175.76 176.94 2gbv n ILE 112 N 2.16 0.00 -1.69 0.00 -5.35 -0.33 -4.92 119.36 109.23 2gbv n ILE 112 Ca 0.07 -0.38 -0.44 0.00 -0.27 0.00 0.00 62.75 61.73 2gbv n ILE 112 Cb 0.39 1.09 -0.04 0.00 -1.74 0.00 0.00 39.64 39.34 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 0.79 0.10 -0.99 7.28 2.08 -1.26 -1.68 119.36 125.67 2gbv n ILE 113 Ca 0.15 -0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.45 2gbv n ILE 113 Cb 0.50 -1.86 0.00 0.00 -0.75 0.00 0.00 39.64 37.53 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 3.86 0.49 3.91 7.39 0.00 0.95 -4.99 105.19 116.79 2gbv n GLY 114 Ca 0.17 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 2gbv n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gbv s ARG 115 N -0.27 2.24 -0.16 1.61 0.52 -0.68 -2.57 118.95 119.63 2gbv s ARG 115 Ca 0.00 -2.07 -0.02 0.00 -0.52 0.00 0.00 55.73 53.12 2gbv s ARG 115 Cb 0.00 -2.08 -0.01 0.00 0.52 0.00 0.00 34.95 33.38 2gbv s ARG 115 CO 0.00 -0.67 -0.09 0.99 0.02 0.00 0.00 175.30 175.55 2gbv s THR 116 N -2.80 3.28 -0.09 0.02 2.01 -1.00 -0.13 115.64 116.92 2gbv s THR 116 Ca 0.32 -0.56 -0.21 0.00 0.31 0.00 0.00 61.69 61.55 2gbv s THR 116 Cb -0.02 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 2gbv s THR 116 CO 0.20 0.49 0.60 -0.22 -0.69 0.00 0.00 174.62 175.00 2gbv s LEU 117 N 0.73 4.30 -0.04 4.42 2.96 0.16 0.64 118.68 131.84 2gbv s LEU 117 Ca -0.04 1.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.92 2gbv s LEU 117 Cb -0.15 -2.91 0.00 0.00 0.50 0.00 0.00 46.19 43.63 2gbv s LEU 117 CO 0.02 -0.07 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.16 2gbv s VAL 118 N 0.74 1.13 -0.12 1.68 1.01 0.17 -1.27 120.40 123.75 2gbv s VAL 118 Ca 0.32 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 2gbv s VAL 118 Cb -0.17 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 2gbv s VAL 118 CO 0.15 0.34 0.01 0.54 0.00 0.00 0.00 175.10 176.13 2gbv s VAL 119 N 0.14 4.37 0.33 2.92 0.11 -0.57 -1.76 120.40 125.94 2gbv s VAL 119 Ca -0.04 -0.21 0.07 0.00 -2.93 0.00 0.00 61.98 58.87 2gbv s VAL 119 Cb -0.10 -2.88 -0.03 0.00 -1.53 0.00 0.00 36.38 31.84 2gbv s VAL 119 CO 0.01 0.56 0.28 -1.00 -3.33 0.00 0.00 175.10 171.62 2gbv s HIS 120 N -0.45 2.92 0.16 1.54 3.76 0.31 -0.83 115.29 122.71 2gbv s HIS 120 Ca 0.08 -0.28 -0.13 0.00 -0.15 0.00 0.00 55.06 54.58 2gbv s HIS 120 Cb -0.12 -1.74 0.06 0.00 1.11 0.00 0.00 32.58 31.89 2gbv s HIS 120 CO 0.02 0.23 1.75 1.49 -0.85 0.00 0.00 174.74 177.39 2gbv h GLU 121 N 1.29 0.77 -5.45 1.40 4.81 -0.67 -3.37 114.58 113.36 2gbv h GLU 121 Ca -0.45 -0.11 -0.62 0.00 -0.13 0.00 0.00 59.36 58.06 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 0.59 0.63 -0.58 0.15 -0.73 0.00 0.00 179.01 179.07 2gbv s LYS 122 N -5.74 1.97 0.52 1.92 1.02 0.78 -4.90 119.74 115.31 2gbv s LYS 122 Ca -0.13 -2.16 -0.23 0.00 0.02 0.00 0.00 55.97 53.47 2gbv s LYS 122 Cb 0.12 -1.45 -0.06 0.00 -0.52 0.00 0.00 37.83 35.93 2gbv s LYS 122 CO 0.77 -0.17 1.36 0.00 -0.92 0.00 0.00 175.35 176.39 2gbv s ALA 123 N -2.86 2.94 -0.16 5.17 0.00 -1.17 -1.03 121.76 124.64 2gbv s ALA 123 Ca 0.27 1.34 -0.26 0.00 0.00 0.00 0.00 51.96 53.32 2gbv s ALA 123 Cb 0.07 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 2gbv s ALA 123 CO 0.14 -1.28 0.85 0.34 0.00 0.00 0.00 175.76 175.81 2gbv s ASP 124 N -0.87 6.99 0.00 0.00 -1.08 -1.26 -3.69 116.67 116.77 2gbv s ASP 124 Ca 0.68 1.22 0.19 0.00 -0.52 0.00 0.00 52.55 54.13 2gbv s ASP 124 Cb -0.40 -2.47 1.05 0.00 -1.46 0.00 0.00 42.92 39.64 2gbv s ASP 124 CO 0.49 -0.40 1.69 -0.90 0.52 0.00 0.00 175.17 176.57 2gbv n ASP 125 N 5.18 0.32 -2.02 -0.34 5.68 0.59 -4.90 116.55 121.07 2gbv n ASP 125 Ca 0.05 -1.47 -0.18 0.00 -0.50 0.00 0.00 54.79 52.68 2gbv n ASP 125 Cb 0.49 -0.02 -0.02 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 -0.58 -1.78 0.00 -2.12 4.77 -1.26 -2.24 117.00 113.79 2gbv n LEU 126 Ca 0.14 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2gbv n LEU 126 Cb 0.12 -2.65 0.00 0.00 -2.33 0.00 0.00 43.42 38.55 2gbv n LEU 126 CO 0.11 -0.29 0.00 0.61 -1.33 0.00 0.00 177.39 176.49 2gbv n GLY 127 N -0.98 0.55 1.15 -0.72 0.00 -1.25 -3.37 105.19 100.58 2gbv n GLY 127 Ca -0.22 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.89 3.33 0.00 1.61 5.02 -0.95 -4.62 118.16 119.66 2gbv n LYS 128 Ca 0.00 -2.67 0.13 0.00 -2.02 0.00 0.00 58.31 53.75 2gbv n LYS 128 Cb 0.00 -1.73 0.47 0.00 -0.02 0.00 0.00 35.03 33.75 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 0.47 -1.37 2.38 0.72 0.00 -1.26 -4.95 105.19 101.18 2gbv n GLY 129 Ca 0.21 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.49 0.35 3.62 -0.02 0.00 -1.26 -4.98 105.19 104.38 2gbv n GLY 130 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.03 3.85 0.27 1.61 2.20 -1.26 -5.05 114.94 114.53 2gbv s ASN 131 Ca 0.00 -1.37 -0.03 0.00 -0.94 0.00 0.00 52.86 50.52 2gbv s ASN 131 Cb 0.00 -0.39 0.36 0.00 -2.00 0.00 0.00 41.25 39.22 2gbv s ASN 131 CO 0.00 -0.45 1.90 -0.08 -2.94 0.00 0.00 177.10 175.52 2gbv h GLU 132 N 1.78 1.08 -0.13 3.55 4.57 -2.01 -2.59 114.58 120.82 2gbv h GLU 132 Ca -0.44 -0.12 -0.08 0.00 -1.18 0.00 0.00 59.36 57.54 2gbv h GLU 132 Cb 1.24 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.60 2gbv h GLU 132 CO 0.81 0.79 -0.26 1.49 -1.18 0.00 0.00 179.01 180.66 2gbv h GLU 133 N 1.09 0.24 -0.97 1.92 4.57 -1.99 -2.62 114.58 116.81 2gbv h GLU 133 Ca 0.28 -0.08 0.04 0.00 -1.18 0.00 0.00 59.36 58.41 2gbv h GLU 133 Cb 0.02 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.54 2gbv h GLU 133 CO -0.04 0.49 0.63 1.03 -1.18 0.00 0.00 179.01 179.94 2gbv h SER 134 N 0.22 1.06 0.30 1.04 0.87 -1.81 0.16 113.55 115.39 2gbv h SER 134 Ca 0.03 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2gbv h SER 134 Cb 0.58 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2gbv h SER 134 CO 0.04 0.73 0.00 0.35 -0.53 0.00 0.00 176.83 177.42 2gbv n THR 135 N -4.46 0.07 -0.04 2.23 -2.24 -0.99 -2.00 114.28 106.84 2gbv n THR 135 Ca 0.13 0.02 -0.10 0.00 -2.27 0.00 0.00 64.05 61.83 2gbv n THR 135 Cb 0.09 -0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 67.72 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 -1.17 0.24 0.00 -0.78 5.02 -0.70 -0.96 118.16 119.82 2gbv n LYS 136 Ca 0.16 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 2gbv n LYS 136 Cb 0.17 -0.91 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 -3.66 0.00 -1.48 -0.18 -2.24 0.47 -4.67 114.28 102.52 2gbv n THR 137 Ca -0.17 -0.43 -0.12 0.00 -2.27 0.00 0.00 64.05 61.06 2gbv n THR 137 Cb 0.51 1.04 -0.04 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 0.62 1.05 3.72 3.38 0.00 -0.85 -3.41 105.19 109.70 2gbv n GLY 138 Ca 0.00 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.26 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 0.08 -4.51 0.00 1.61 3.02 -1.25 -0.30 115.26 113.91 2gbv n ASN 139 Ca -0.12 -0.65 0.14 0.00 -0.03 0.00 0.00 54.58 53.92 2gbv n ASN 139 Cb 0.42 -3.64 0.63 0.00 -0.61 0.00 0.00 39.78 36.58 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 -4.24 2.34 -0.16 5.41 0.00 -1.22 -4.68 120.51 117.97 2gbv n ALA 140 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2gbv n ALA 140 Cb 0.53 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 1.47 -0.61 3.73 0.00 0.00 -1.26 -0.15 105.19 108.37 2gbv n GLY 141 Ca 0.08 -1.13 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 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 3.88 -0.32 1.61 1.04 -1.26 -4.58 113.70 110.07 2gbv s SER 142 Ca 0.00 1.80 -0.21 0.00 0.48 0.00 0.00 55.95 58.03 2gbv s SER 142 Cb 0.00 -2.44 -0.01 0.00 0.10 0.00 0.00 66.02 63.67 2gbv s SER 142 CO 0.00 -2.43 0.65 -0.13 0.98 0.00 0.00 173.24 172.31 2gbv s ARG 143 N -4.85 3.86 -0.06 4.02 0.52 -1.26 -0.55 118.95 120.63 2gbv s ARG 143 Ca 0.63 0.28 -0.07 0.00 -0.52 0.00 0.00 55.73 56.04 2gbv s ARG 143 Cb -0.19 -3.74 -0.28 0.00 0.52 0.00 0.00 34.95 31.26 2gbv s ARG 143 CO 0.57 -0.62 0.60 -0.07 0.02 0.00 0.00 175.30 175.80 2gbv h LEU 144 N 9.23 0.49 -7.23 2.53 3.38 -1.28 -3.48 115.31 118.95 2gbv h LEU 144 Ca -0.26 -0.84 -0.06 0.00 0.09 0.00 0.00 57.88 56.80 2gbv h LEU 144 Cb 1.11 -0.16 -0.16 0.00 0.09 0.00 0.00 40.66 41.54 2gbv h LEU 144 CO 0.82 1.72 0.01 0.00 0.09 0.00 0.00 178.44 181.08 2gbv s ALA 145 N -2.58 -1.28 0.10 1.53 0.00 -1.16 -4.24 121.76 114.14 2gbv s ALA 145 Ca -0.16 0.56 -0.15 0.00 0.00 0.00 0.00 51.96 52.21 2gbv s ALA 145 Cb 0.06 0.36 0.03 0.00 0.00 0.00 0.00 23.12 23.57 2gbv s ALA 145 CO 0.83 -0.49 0.37 0.00 0.00 0.00 0.00 175.76 176.47 2gbv s ALA 146 N -2.40 -0.85 -0.15 0.00 0.00 -0.31 -1.52 121.76 116.53 2gbv s ALA 146 Ca -0.06 -0.06 -0.24 0.00 0.00 0.00 0.00 51.96 51.60 2gbv s ALA 146 Cb -0.01 0.60 0.06 0.00 0.00 0.00 0.00 23.12 23.77 2gbv s ALA 146 CO -0.01 -0.59 0.62 0.20 0.00 0.00 0.00 175.76 175.98 2gbv s GLY 147 N -2.65 -0.48 0.12 0.00 0.00 -0.39 -1.65 107.32 102.26 2gbv s GLY 147 Ca 0.02 1.49 -0.30 0.00 0.00 0.00 0.00 44.72 45.92 2gbv s GLY 147 CO -0.10 1.21 1.20 0.14 0.00 0.00 0.00 173.10 175.54 2gbv s VAL 148 N -0.34 3.82 -0.41 1.40 1.01 -1.26 -0.67 120.40 123.95 2gbv s VAL 148 Ca -0.05 1.41 -0.29 0.00 0.00 0.00 0.00 61.98 63.05 2gbv s VAL 148 Cb -0.03 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.47 2gbv s VAL 148 CO 0.04 0.16 1.09 -0.63 0.00 0.00 0.00 175.10 175.76 2gbv s ILE 149 N 0.54 4.35 0.23 2.22 1.01 0.81 -4.53 121.20 125.84 2gbv s ILE 149 Ca 0.56 1.37 0.08 0.00 0.00 0.00 0.00 60.65 62.66 2gbv s ILE 149 Cb -0.31 -4.51 -0.04 0.00 0.01 0.00 0.00 42.46 37.61 2gbv s ILE 149 CO 0.32 -0.78 0.06 -0.83 0.00 0.00 0.00 174.94 173.71 2gbv s GLY 150 N 2.13 1.61 0.17 6.18 0.00 0.10 -0.03 107.32 117.48 2gbv s GLY 150 Ca 0.46 -1.49 -0.30 0.00 0.00 0.00 0.00 44.72 43.38 2gbv s GLY 150 CO 0.25 -1.53 1.33 -0.42 0.00 0.00 0.00 173.10 172.73 2gbv s ILE 151 N -2.08 3.24 0.24 0.90 1.01 -1.26 -0.79 121.20 122.46 2gbv s ILE 151 Ca 0.31 0.98 0.10 0.00 0.00 0.00 0.00 60.65 62.03 2gbv s ILE 151 Cb -0.08 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 2gbv s ILE 151 CO 0.21 0.12 -0.09 0.00 0.00 0.00 0.00 174.94 175.18 2gbv s ALA 152 N 0.42 2.97 -2.00 9.38 0.00 -0.40 -4.80 121.76 127.32 2gbv s ALA 152 Ca 0.59 -1.65 0.15 0.00 0.00 0.00 0.00 51.96 51.05 2gbv s ALA 152 Cb -0.37 -0.62 0.92 0.00 0.00 0.00 0.00 23.12 23.06 2gbv s ALA 152 CO 0.36 0.34 1.34 0.94 0.00 0.00 0.00 175.76 178.73