#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 4.32 0.09 0.00 2.01 -0.48 -4.98 115.64 116.59 2gbv s THR 2 Ca 0.00 -0.44 0.06 0.00 0.31 0.00 0.00 61.69 61.61 2gbv s THR 2 Cb 0.00 -2.90 -0.03 0.00 0.01 0.00 0.00 72.50 69.58 2gbv s THR 2 CO 0.00 0.45 -0.15 -0.54 -0.69 0.00 0.00 174.62 173.69 2gbv s LYS 3 N -1.36 0.91 0.21 4.92 1.02 -1.26 -0.81 119.74 123.36 2gbv s LYS 3 Ca 0.18 -1.05 -0.07 0.00 0.02 0.00 0.00 55.97 55.05 2gbv s LYS 3 Cb -0.12 -0.93 -0.02 0.00 -0.52 0.00 0.00 37.83 36.24 2gbv s LYS 3 CO 0.08 0.20 0.28 0.00 -0.92 0.00 0.00 175.35 175.00 2gbv s ALA 4 N -1.43 0.41 -0.11 5.17 0.00 -0.01 -1.94 121.76 123.84 2gbv s ALA 4 Ca 0.02 -1.23 -0.17 0.00 0.00 0.00 0.00 51.96 50.58 2gbv s ALA 4 Cb -0.09 1.14 0.04 0.00 0.00 0.00 0.00 23.12 24.21 2gbv s ALA 4 CO 0.03 -0.69 0.44 0.54 0.00 0.00 0.00 175.76 176.07 2gbv s VAL 5 N -4.06 0.02 -0.07 0.00 0.11 -0.10 -0.04 120.40 116.25 2gbv s VAL 5 Ca 0.28 -0.13 0.01 0.00 -2.93 0.00 0.00 61.98 59.20 2gbv s VAL 5 Cb 0.04 -0.67 0.02 0.00 -1.53 0.00 0.00 36.38 34.24 2gbv s VAL 5 CO 0.08 -0.07 -0.07 0.00 -3.33 0.00 0.00 175.10 171.70 2gbv s ALA 6 N -0.36 1.05 -0.35 1.54 0.00 0.13 -0.90 121.76 122.86 2gbv s ALA 6 Ca -0.05 -0.32 -0.16 0.00 0.00 0.00 0.00 51.96 51.44 2gbv s ALA 6 Cb -0.03 -0.63 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 2gbv s ALA 6 CO 0.03 -0.12 0.38 0.08 0.00 0.00 0.00 175.76 176.12 2gbv s VAL 7 N 1.15 5.15 -0.12 0.00 1.01 -1.26 -0.86 120.40 125.47 2gbv s VAL 7 Ca -0.06 0.01 -0.21 0.00 0.00 0.00 0.00 61.98 61.72 2gbv s VAL 7 Cb -0.14 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 2gbv s VAL 7 CO -0.01 -0.14 0.60 -0.76 0.00 0.00 0.00 175.10 174.78 2gbv s LEU 8 N 2.05 4.26 0.04 3.92 1.43 0.74 -4.00 118.68 127.10 2gbv s LEU 8 Ca 0.12 0.96 -0.05 0.00 -1.03 0.00 0.00 54.13 54.13 2gbv s LEU 8 Cb -0.17 -2.89 -0.01 0.00 0.03 0.00 0.00 46.19 43.16 2gbv s LEU 8 CO 0.12 -0.11 0.08 -0.54 0.23 0.00 0.00 176.35 176.14 2gbv s LYS 9 N 0.98 0.58 0.00 1.70 1.02 -0.33 -1.87 119.74 121.82 2gbv s LYS 9 Ca 0.31 -0.77 0.00 0.00 0.02 0.00 0.00 55.97 55.53 2gbv s LYS 9 Cb -0.16 0.22 0.00 0.00 -0.52 0.00 0.00 37.83 37.37 2gbv s LYS 9 CO 0.13 -0.14 0.00 0.41 -0.92 0.00 0.00 175.35 174.83 2gbv n GLY 10 N 0.78 3.60 0.18 -3.33 0.00 -1.24 -1.21 105.19 103.97 2gbv n GLY 10 Ca -0.19 -1.22 0.08 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.93 1.61 3.32 -1.92 -3.47 116.42 114.03 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 0.24 0.00 0.61 -1.72 0.00 0.00 179.24 178.37 2gbv n GLY 12 N 1.08 2.90 0.04 2.75 0.00 -1.26 -5.02 105.19 105.68 2gbv n GLY 12 Ca 0.03 -2.04 0.15 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 -0.04 1.05 -2.76 1.61 -0.04 -1.26 -4.85 135.00 128.71 2gbv n PRO 13 Ca 0.00 -0.08 -0.42 0.00 -0.04 0.00 0.00 63.50 62.96 2gbv n PRO 13 Cb 0.00 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 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 -2.00 4.80 0.07 0.52 1.01 -1.26 -4.27 120.40 119.27 2gbv s VAL 14 Ca 0.46 1.88 -0.14 0.00 0.00 0.00 0.00 61.98 64.18 2gbv s VAL 14 Cb 0.21 -4.24 0.02 0.00 0.00 0.00 0.00 36.38 32.37 2gbv s VAL 14 CO 0.36 -0.02 0.32 0.00 0.00 0.00 0.00 175.10 175.76 2gbv s GLN 15 N 2.30 0.90 0.04 2.72 -2.07 -0.76 -3.73 119.66 119.06 2gbv s GLN 15 Ca 0.44 -0.62 -0.27 0.00 -1.82 0.00 0.00 55.36 53.09 2gbv s GLN 15 Cb -0.17 0.39 0.09 0.00 -1.09 0.00 0.00 33.01 32.23 2gbv s GLN 15 CO 0.13 -0.31 1.22 0.20 -1.32 0.00 0.00 175.29 175.21 2gbv s GLY 16 N -2.39 -0.11 -0.06 2.60 0.00 -0.78 0.05 107.32 106.63 2gbv s GLY 16 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.75 2gbv s GLY 16 CO -0.07 3.84 -0.03 -0.42 0.00 0.00 0.00 173.10 176.42 2gbv s ILE 17 N -2.15 0.52 -0.11 0.90 1.01 -0.32 -0.19 121.20 120.86 2gbv s ILE 17 Ca 0.25 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.87 2gbv s ILE 17 Cb -0.00 -0.59 0.01 0.00 0.01 0.00 0.00 42.46 41.89 2gbv s ILE 17 CO 0.00 0.25 -0.16 -0.63 0.00 0.00 0.00 174.94 174.40 2gbv s ILE 18 N 1.34 1.59 0.05 2.92 -1.09 -0.04 -1.92 121.20 124.05 2gbv s ILE 18 Ca -0.04 -0.70 -0.00 0.00 -2.23 0.00 0.00 60.65 57.68 2gbv s ILE 18 Cb -0.13 -1.44 -0.04 0.00 -1.58 0.00 0.00 42.46 39.27 2gbv s ILE 18 CO -0.02 0.46 0.19 0.20 -1.23 0.00 0.00 174.94 174.54 2gbv s ASN 19 N 0.92 6.29 -0.02 3.58 0.01 0.18 -0.70 114.94 125.20 2gbv s ASN 19 Ca -0.08 0.26 0.05 0.00 -0.71 0.00 0.00 52.86 52.38 2gbv s ASN 19 Cb -0.15 -1.93 -0.01 0.00 0.41 0.00 0.00 41.25 39.57 2gbv s ASN 19 CO -0.01 0.19 -0.17 -0.36 -1.51 0.00 0.00 177.10 175.24 2gbv s PHE 20 N -1.47 1.52 -0.03 2.20 0.40 0.95 -1.52 117.98 120.03 2gbv s PHE 20 Ca 0.33 -0.32 -0.02 0.00 -0.60 0.00 0.00 56.93 56.33 2gbv s PHE 20 Cb -0.13 -0.99 0.02 0.00 0.51 0.00 0.00 43.02 42.43 2gbv s PHE 20 CO 0.26 -0.05 0.06 -2.00 0.70 0.00 0.00 175.22 174.19 2gbv s GLU 21 N -0.30 0.04 -0.24 0.44 2.12 -0.17 -0.83 118.70 119.76 2gbv s GLU 21 Ca 0.04 0.15 -0.03 0.00 0.36 0.00 0.00 54.97 55.49 2gbv s GLU 21 Cb -0.07 -0.07 0.08 0.00 0.26 0.00 0.00 34.13 34.32 2gbv s GLU 21 CO -0.00 -0.07 0.08 -1.14 -0.54 0.00 0.00 175.26 173.59 2gbv s GLN 22 N 0.46 0.48 0.14 4.30 0.74 0.01 -0.16 119.66 125.64 2gbv s GLN 22 Ca -0.04 -0.55 -0.13 0.00 0.05 0.00 0.00 55.36 54.69 2gbv s GLN 22 Cb -0.05 -1.84 0.01 0.00 1.10 0.00 0.00 33.01 32.23 2gbv s GLN 22 CO -0.02 -0.81 1.62 0.87 -0.55 0.00 0.00 175.29 176.41 2gbv h LYS 23 N 8.27 0.79 -6.22 1.67 1.57 -1.83 -1.27 116.57 119.56 2gbv h LYS 23 Ca -0.16 -0.22 -0.62 0.00 -1.87 0.00 0.00 60.65 57.78 2gbv h LYS 23 Cb 1.08 -0.09 -0.28 0.00 0.08 0.00 0.00 32.23 33.02 2gbv h LYS 23 CO 0.38 0.81 -0.86 -1.21 -0.57 0.00 0.00 179.45 178.01 2gbv s GLU 24 N -5.15 1.61 0.22 3.15 0.41 -1.26 -2.78 118.70 114.90 2gbv s GLU 24 Ca -0.13 -0.90 -0.07 0.00 -0.41 0.00 0.00 54.97 53.46 2gbv s GLU 24 Cb 0.11 -1.67 0.32 0.00 -1.78 0.00 0.00 34.13 31.11 2gbv s GLU 24 CO 0.80 0.44 1.78 0.66 -0.49 0.00 0.00 175.26 178.45 2gbv h SER 25 N 5.16 0.47 0.86 -0.19 4.64 -1.97 0.56 113.55 123.08 2gbv h SER 25 Ca -0.42 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2gbv h SER 25 Cb 1.15 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2gbv h SER 25 CO 0.45 0.28 0.00 -0.46 -0.87 0.00 0.00 176.83 176.23 2gbv n ASN 26 N -4.85 0.56 -4.64 4.97 6.94 -1.26 -4.82 115.26 112.16 2gbv n ASN 26 Ca 0.10 0.61 -0.24 0.00 -0.02 0.00 0.00 54.58 55.04 2gbv n ASN 26 Cb 0.25 -0.74 0.12 0.00 -2.36 0.00 0.00 39.78 37.05 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 -3.44 1.75 0.79 4.83 0.00 0.19 -5.08 107.32 106.36 2gbv s GLY 27 Ca 0.07 -1.87 -0.11 0.00 0.00 0.00 0.00 44.72 42.81 2gbv s GLY 27 CO 0.42 -1.25 1.09 2.56 0.00 0.00 0.00 173.10 175.93 2gbv s PRO 28 N -5.18 2.08 -0.15 2.90 0.04 -1.26 -4.88 135.00 128.55 2gbv s PRO 28 Ca 0.68 1.15 -0.01 0.00 0.04 0.00 0.00 61.00 62.86 2gbv s PRO 28 Cb -0.04 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.61 2gbv s PRO 28 CO 0.45 -1.76 -0.13 0.08 0.04 0.00 0.00 177.00 175.68 2gbv s VAL 29 N -2.89 2.93 0.03 -0.36 1.01 0.22 -4.35 120.40 116.99 2gbv s VAL 29 Ca 0.62 -0.68 -0.26 0.00 0.00 0.00 0.00 61.98 61.65 2gbv s VAL 29 Cb -0.17 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 2gbv s VAL 29 CO 0.56 0.51 0.82 -0.54 0.00 0.00 0.00 175.10 176.45 2gbv s LYS 30 N 0.73 4.53 -0.17 2.72 1.02 0.78 -1.63 119.74 127.71 2gbv s LYS 30 Ca -0.06 1.15 -0.00 0.00 0.02 0.00 0.00 55.97 57.09 2gbv s LYS 30 Cb -0.15 -3.39 0.04 0.00 -0.52 0.00 0.00 37.83 33.80 2gbv s LYS 30 CO 0.02 0.18 -0.07 0.08 -0.92 0.00 0.00 175.35 174.64 2gbv s VAL 31 N 0.26 1.29 0.04 3.17 1.01 0.11 -1.00 120.40 125.28 2gbv s VAL 31 Ca 0.42 -0.74 -0.12 0.00 0.00 0.00 0.00 61.98 61.54 2gbv s VAL 31 Cb -0.21 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.77 2gbv s VAL 31 CO 0.24 0.16 0.26 -1.66 0.00 0.00 0.00 175.10 174.10 2gbv s TRP 32 N 1.55 -0.04 -4.05 5.22 -2.14 -0.58 0.19 118.94 119.09 2gbv s TRP 32 Ca 0.00 -0.13 0.00 0.00 2.66 0.00 0.00 56.10 58.64 2gbv s TRP 32 Cb -0.15 0.05 0.00 0.00 -3.10 0.00 0.00 33.47 30.26 2gbv s TRP 32 CO -0.08 -0.48 0.00 0.41 -2.66 0.00 0.00 176.95 174.14 2gbv n GLY 33 N 0.62 -0.49 3.31 3.67 0.00 -0.64 0.47 105.19 112.13 2gbv n GLY 33 Ca -0.19 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.37 -0.02 1.61 0.15 -0.81 -0.96 113.70 109.30 2gbv s SER 34 Ca 0.00 0.54 0.02 0.00 0.70 0.00 0.00 55.95 57.21 2gbv s SER 34 Cb 0.00 0.62 0.01 0.00 -1.71 0.00 0.00 66.02 64.93 2gbv s SER 34 CO 0.00 -0.32 -0.06 -0.63 1.20 0.00 0.00 173.24 173.43 2gbv s ILE 35 N -0.55 0.57 0.39 6.45 1.01 -0.22 -1.18 121.20 127.67 2gbv s ILE 35 Ca -0.07 -0.23 0.08 0.00 0.00 0.00 0.00 60.65 60.43 2gbv s ILE 35 Cb -0.04 -0.54 -0.08 0.00 0.01 0.00 0.00 42.46 41.82 2gbv s ILE 35 CO 0.03 0.20 -0.02 -1.59 0.00 0.00 0.00 174.94 173.56 2gbv s LYS 36 N 0.34 1.91 0.00 2.79 -2.85 0.11 0.40 119.74 122.44 2gbv s LYS 36 Ca -0.04 -2.06 0.00 0.00 -1.00 0.00 0.00 55.97 52.86 2gbv s LYS 36 Cb -0.09 -1.64 0.00 0.00 -2.06 0.00 0.00 37.83 34.05 2gbv s LYS 36 CO 0.00 -0.00 0.00 0.41 0.10 0.00 0.00 175.35 175.86 2gbv n GLY 37 N -0.92 0.65 3.90 0.59 0.00 -0.95 -1.82 105.19 106.64 2gbv n GLY 37 Ca -0.05 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 4.05 0.51 0.99 1.43 -0.61 -4.34 118.68 120.70 2gbv s LEU 38 Ca 0.00 0.75 -0.21 0.00 -1.03 0.00 0.00 54.13 53.64 2gbv s LEU 38 Cb 0.00 -3.57 -0.07 0.00 0.03 0.00 0.00 46.19 42.59 2gbv s LEU 38 CO 0.00 -0.21 1.13 0.42 0.23 0.00 0.00 176.35 177.92 2gbv s THR 39 N -2.09 3.22 0.39 5.49 -4.23 -1.26 -4.06 115.64 113.10 2gbv s THR 39 Ca 0.45 0.80 -0.27 0.00 -1.18 0.00 0.00 61.69 61.49 2gbv s THR 39 Cb -0.11 -3.35 -0.10 0.00 1.34 0.00 0.00 72.50 70.28 2gbv s THR 39 CO 0.30 -0.12 1.36 1.21 -0.54 0.00 0.00 174.62 176.83 2gbv n GLU 40 N -1.03 2.24 0.00 3.99 2.13 -1.26 -4.65 120.64 122.06 2gbv n GLU 40 Ca 0.10 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.71 2gbv n GLU 40 Cb 0.50 -2.49 0.00 0.00 0.27 0.00 0.00 31.44 29.72 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 0.66 -0.75 3.78 8.31 0.00 -0.54 -4.91 105.19 111.74 2gbv n GLY 41 Ca 0.04 -2.14 -0.37 0.00 0.00 0.00 0.00 46.02 43.55 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 4.31 -0.02 0.99 1.43 -1.26 -0.82 118.68 123.31 2gbv s LEU 42 Ca 0.00 1.84 -0.00 0.00 -1.03 0.00 0.00 54.13 54.94 2gbv s LEU 42 Cb 0.00 -4.05 0.03 0.00 0.03 0.00 0.00 46.19 42.20 2gbv s LEU 42 CO 0.00 -0.11 0.03 -1.00 0.23 0.00 0.00 176.35 175.50 2gbv s HIS 43 N -1.65 0.03 0.53 0.29 3.76 -0.07 -3.29 115.29 114.88 2gbv s HIS 43 Ca 0.51 0.12 -0.22 0.00 -0.15 0.00 0.00 55.06 55.32 2gbv s HIS 43 Cb -0.18 -0.22 -0.06 0.00 1.11 0.00 0.00 32.58 33.23 2gbv s HIS 43 CO 0.23 -0.08 1.28 0.41 -0.85 0.00 0.00 174.74 175.74 2gbv n GLY 44 N 4.08 0.57 2.68 -2.22 0.00 0.33 -0.83 105.19 109.80 2gbv n GLY 44 Ca -0.26 0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.30 -0.11 0.04 1.61 5.36 -0.16 -0.39 117.98 123.04 2gbv s PHE 45 Ca 0.70 -0.20 -0.00 0.00 -0.96 0.00 0.00 56.93 56.47 2gbv s PHE 45 Cb -0.44 -0.56 -0.03 0.00 -0.34 0.00 0.00 43.02 41.66 2gbv s PHE 45 CO 0.51 -0.71 -0.04 -1.01 -1.46 0.00 0.00 175.22 172.52 2gbv s HIS 46 N 2.25 0.42 -0.20 10.12 3.76 -0.71 -2.48 115.29 128.45 2gbv s HIS 46 Ca 0.07 -0.76 -0.23 0.00 -0.15 0.00 0.00 55.06 53.99 2gbv s HIS 46 Cb -0.15 -0.30 -0.02 0.00 1.11 0.00 0.00 32.58 33.22 2gbv s HIS 46 CO -0.21 -0.26 0.71 0.08 -0.85 0.00 0.00 174.74 174.21 2gbv s VAL 47 N -2.54 4.95 0.27 -0.90 1.01 -0.27 -0.38 120.40 122.53 2gbv s VAL 47 Ca -0.05 1.36 0.02 0.00 0.00 0.00 0.00 61.98 63.31 2gbv s VAL 47 Cb -0.02 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 2gbv s VAL 47 CO -0.05 0.05 0.43 -1.00 0.00 0.00 0.00 175.10 174.54 2gbv s HIS 48 N 2.17 3.48 0.16 5.22 3.76 0.23 -0.48 115.29 129.83 2gbv s HIS 48 Ca 0.32 0.19 -0.15 0.00 -0.15 0.00 0.00 55.06 55.27 2gbv s HIS 48 Cb -0.16 -1.74 0.04 0.00 1.11 0.00 0.00 32.58 31.83 2gbv s HIS 48 CO 0.10 0.32 1.80 1.49 -0.85 0.00 0.00 174.74 177.60 2gbv h GLU 49 N 1.22 0.65 -6.05 1.40 4.81 -0.61 -2.75 114.58 113.25 2gbv h GLU 49 Ca -0.50 -0.05 -0.68 0.00 -0.13 0.00 0.00 59.36 57.99 2gbv h GLU 49 Cb 1.22 -0.14 -0.16 0.00 0.63 0.00 0.00 28.75 30.30 2gbv h GLU 49 CO 0.63 0.47 -0.64 -0.06 -0.73 0.00 0.00 179.01 178.67 2gbv s PHE 50 N -6.03 3.09 -0.36 0.92 0.08 0.65 -4.67 117.98 111.66 2gbv s PHE 50 Ca -0.13 0.13 -0.05 0.00 0.12 0.00 0.00 56.93 57.00 2gbv s PHE 50 Cb 0.12 -1.75 -0.03 0.00 -0.57 0.00 0.00 43.02 40.79 2gbv s PHE 50 CO 0.74 0.43 3.01 0.41 -0.10 0.00 0.00 175.22 179.71 2gbv n GLY 51 N 2.04 3.99 3.23 4.36 0.00 -1.03 -3.54 105.19 114.23 2gbv n GLY 51 Ca -0.18 -1.70 -0.36 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 0.83 4.96 -0.22 1.61 -1.08 -1.26 -4.95 116.67 116.56 2gbv s ASP 52 Ca 0.61 -1.10 0.15 0.00 -0.52 0.00 0.00 52.55 51.69 2gbv s ASP 52 Cb 0.36 -1.77 0.58 0.00 -1.46 0.00 0.00 42.92 40.63 2gbv s ASP 52 CO -0.16 -0.25 1.50 -3.20 0.52 0.00 0.00 175.17 173.58 2gbv n ASN 53 N 4.71 3.95 0.14 -0.34 2.85 -1.26 -3.14 115.26 122.18 2gbv n ASN 53 Ca -0.14 -3.14 0.00 0.00 -0.11 0.00 0.00 54.58 51.19 2gbv n ASN 53 Cb 0.45 -0.59 0.29 0.00 1.24 0.00 0.00 39.78 41.17 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 1.96 1.28 -0.85 -0.44 1.35 -1.93 -2.31 112.91 111.98 2gbv h THR 54 Ca 0.06 -1.37 -0.58 0.00 -0.55 0.00 0.00 66.41 63.98 2gbv h THR 54 Cb 1.63 1.65 -0.40 0.00 -1.73 0.00 0.00 68.15 69.29 2gbv h THR 54 CO 0.33 0.40 -0.50 0.00 -0.25 0.00 0.00 175.52 175.50 2gbv n ALA 55 N -2.47 5.27 -0.96 6.62 0.00 -1.26 -5.06 120.51 122.64 2gbv n ALA 55 Ca -0.02 -3.77 0.00 0.00 0.00 0.00 0.00 53.44 49.65 2gbv n ALA 55 Cb 0.43 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.28 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 -0.73 1.61 0.30 0.00 0.00 -0.87 -2.93 105.19 102.56 2gbv n GLY 56 Ca 0.47 -0.54 0.18 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.96 1.11 -0.03 4.61 0.00 -1.87 -3.11 119.26 119.00 2gbv h ALA 57 Ca 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2gbv h ALA 57 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2gbv h ALA 57 CO 0.00 0.05 -0.20 1.15 0.00 0.00 0.00 179.25 180.24 2gbv h THR 58 N 0.00 1.17 -0.03 0.00 2.02 -1.85 -2.23 112.91 111.98 2gbv h THR 58 Ca -0.00 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.40 2gbv h THR 58 Cb 0.26 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 2gbv h THR 58 CO 0.01 0.23 0.00 -1.54 0.37 0.00 0.00 175.52 174.58 2gbv n SER 59 N -4.27 0.48 0.00 4.18 3.41 -1.18 -3.88 113.62 112.36 2gbv n SER 59 Ca -0.02 -1.36 0.13 0.00 -0.26 0.00 0.00 58.87 57.37 2gbv n SER 59 Cb 0.28 -0.02 0.66 0.00 -0.26 0.00 0.00 64.21 64.87 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 -0.53 2.33 -0.28 7.33 0.00 -0.84 -4.38 120.51 124.13 2gbv n ALA 60 Ca 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2gbv n ALA 60 Cb 0.16 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.17 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 1.14 -1.53 3.93 0.00 0.00 -1.25 -0.25 105.19 107.23 2gbv n GLY 61 Ca 0.11 -1.27 -0.29 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 -0.41 -1.08 -1.62 1.61 -0.04 -1.26 -4.54 135.00 127.65 2gbv n PRO 62 Ca 0.00 -2.23 -0.46 0.00 -0.04 0.00 0.00 63.50 60.77 2gbv n PRO 62 Cb 0.00 -1.25 -0.03 0.00 -0.04 0.00 0.00 33.50 32.19 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 -3.67 1.65 -1.82 0.54 8.25 -1.26 -0.72 115.22 118.19 2gbv n HIS 63 Ca 0.17 0.60 -0.42 0.00 -0.26 0.00 0.00 57.72 57.80 2gbv n HIS 63 Cb 0.59 -2.34 -0.03 0.00 1.12 0.00 0.00 29.99 29.33 2gbv n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2gbv s PHE 64 N -0.43 1.57 -0.39 4.41 5.36 0.36 -4.55 117.98 124.32 2gbv s PHE 64 Ca 0.67 -0.15 0.10 0.00 -0.96 0.00 0.00 56.93 56.59 2gbv s PHE 64 Cb -0.73 -4.10 0.33 0.00 -0.34 0.00 0.00 43.02 38.18 2gbv s PHE 64 CO 0.54 -4.78 0.76 -1.71 -1.46 0.00 0.00 175.22 168.57 2gbv n ASN 65 N 7.52 0.14 0.27 6.13 5.15 -1.26 -1.25 115.26 131.95 2gbv n ASN 65 Ca 0.19 -3.07 0.18 0.00 -0.60 0.00 0.00 54.58 51.27 2gbv n ASN 65 Cb 0.42 -0.17 0.74 0.00 -0.53 0.00 0.00 39.78 40.25 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 3.19 0.00 -0.11 1.20 0.13 -1.98 -2.41 132.00 132.01 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 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2gbv h PRO 66 CO 0.43 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.48 2gbv n LEU 67 N -2.99 2.01 -3.57 1.56 4.77 -1.26 -4.97 117.00 112.54 2gbv n LEU 67 Ca 0.00 -0.75 -0.20 0.00 -0.03 0.00 0.00 56.01 55.03 2gbv n LEU 67 Cb 0.26 -0.06 0.05 0.00 -2.33 0.00 0.00 43.42 41.34 2gbv n LEU 67 CO 0.25 0.38 -0.01 -1.20 -1.33 0.00 0.00 177.39 175.48 2gbv n SER 68 N 0.56 -2.50 -4.84 -1.43 7.64 -0.91 -5.01 113.62 107.13 2gbv n SER 68 Ca 0.17 -0.77 -0.24 0.00 1.01 0.00 0.00 58.87 59.04 2gbv n SER 68 Cb 0.41 -4.42 -0.04 0.00 -1.01 0.00 0.00 64.21 59.16 2gbv n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2gbv s ARG 69 N -5.61 2.35 0.56 1.43 0.52 -1.26 -5.14 118.95 111.81 2gbv s ARG 69 Ca 0.11 -1.77 -0.04 0.00 -0.52 0.00 0.00 55.73 53.51 2gbv s ARG 69 Cb -0.02 -2.16 0.01 0.00 0.52 0.00 0.00 34.95 33.29 2gbv s ARG 69 CO 0.79 -0.28 0.84 0.15 0.02 0.00 0.00 175.30 176.82 2gbv s LYS 70 N -4.09 2.85 0.40 3.54 1.02 -1.26 -4.70 119.74 117.50 2gbv s LYS 70 Ca 0.42 -0.22 -0.25 0.00 0.02 0.00 0.00 55.97 55.93 2gbv s LYS 70 Cb -0.00 -2.36 -0.08 0.00 -0.52 0.00 0.00 37.83 34.87 2gbv s LYS 70 CO 0.24 -0.64 1.18 -1.58 -0.92 0.00 0.00 175.35 173.63 2gbv s HIS 71 N -2.88 3.04 0.11 3.18 5.65 0.06 -3.19 115.29 121.25 2gbv s HIS 71 Ca 0.53 1.54 -0.03 0.00 0.25 0.00 0.00 55.06 57.36 2gbv s HIS 71 Cb -0.10 -3.41 0.01 0.00 -1.18 0.00 0.00 32.58 27.90 2gbv s HIS 71 CO 0.43 -1.37 0.19 0.41 -0.65 0.00 0.00 174.74 173.74 2gbv n GLY 72 N 0.62 2.24 3.90 1.59 0.00 -1.25 -4.45 105.19 107.85 2gbv n GLY 72 Ca 0.04 -1.25 -0.28 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.61 1.61 0.56 -0.02 0.00 -1.18 -4.69 107.32 101.98 2gbv s GLY 73 Ca 0.06 -0.56 0.27 0.00 0.00 0.00 0.00 44.72 44.49 2gbv s GLY 73 CO 0.05 -0.26 2.18 -0.56 0.00 0.00 0.00 173.10 174.51 2gbv h PRO 74 N -0.32 0.00 0.00 2.90 0.13 -1.88 -1.86 132.00 130.97 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 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2gbv h PRO 74 CO 0.62 0.05 0.00 0.87 -0.23 0.00 0.00 178.00 179.31 2gbv h LYS 75 N 0.00 0.00 -6.99 0.86 1.57 -1.94 -3.47 116.57 106.61 2gbv h LYS 75 Ca -0.00 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.32 2gbv h LYS 75 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2gbv h LYS 75 CO 0.01 0.00 0.36 -0.51 -0.57 0.00 0.00 179.45 178.74 2gbv s ASP 76 N -4.81 6.94 0.06 0.86 1.01 -0.70 -4.98 116.67 115.05 2gbv s ASP 76 Ca 0.10 1.84 -0.17 0.00 0.71 0.00 0.00 52.55 55.02 2gbv s ASP 76 Cb 0.11 -2.56 -0.15 0.00 1.01 0.00 0.00 42.92 41.32 2gbv s ASP 76 CO 0.60 -0.36 1.29 -0.08 0.21 0.00 0.00 175.17 176.83 2gbv h GLU 77 N 2.35 0.56 -5.95 8.23 4.57 -1.90 -3.37 114.58 119.07 2gbv h GLU 77 Ca -0.48 -0.40 -0.59 0.00 -1.18 0.00 0.00 59.36 56.71 2gbv h GLU 77 Cb 1.20 0.06 -0.11 0.00 -0.16 0.00 0.00 28.75 29.74 2gbv h GLU 77 CO 0.62 1.02 0.98 -2.00 -1.18 0.00 0.00 179.01 178.45 2gbv s GLU 78 N -3.90 3.27 0.16 1.92 2.56 -1.26 -4.95 118.70 116.51 2gbv s GLU 78 Ca -0.13 -0.68 -0.12 0.00 0.00 0.00 0.00 54.97 54.03 2gbv s GLU 78 Cb 0.06 -4.46 0.01 0.00 2.00 0.00 0.00 34.13 31.74 2gbv s GLU 78 CO 0.82 -2.04 0.37 -0.98 -0.56 0.00 0.00 175.26 172.87 2gbv s ARG 79 N 4.89 1.19 0.48 4.30 1.70 -1.21 -3.77 118.95 126.54 2gbv s ARG 79 Ca 0.33 -1.00 -0.20 0.00 -0.47 0.00 0.00 55.73 54.39 2gbv s ARG 79 Cb -0.09 0.43 -0.09 0.00 -0.57 0.00 0.00 34.95 34.64 2gbv s ARG 79 CO 0.07 -0.46 1.02 -1.01 -1.08 0.00 0.00 175.30 173.84 2gbv s HIS 80 N -3.91 3.06 0.30 5.89 3.76 -1.19 -4.67 115.29 118.53 2gbv s HIS 80 Ca 0.12 1.58 0.03 0.00 -0.15 0.00 0.00 55.06 56.63 2gbv s HIS 80 Cb 0.02 -3.02 0.60 0.00 1.11 0.00 0.00 32.58 31.29 2gbv s HIS 80 CO -0.03 -0.71 1.86 0.28 -0.85 0.00 0.00 174.74 175.28 2gbv h VAL 81 N 1.56 0.93 0.00 -0.90 2.07 -1.84 -2.06 116.25 116.02 2gbv h VAL 81 Ca -0.49 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.70 2gbv h VAL 81 Cb 1.21 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2gbv h VAL 81 CO 0.59 0.17 0.00 0.61 0.02 0.00 0.00 177.57 178.97 2gbv n GLY 82 N -1.38 -0.93 3.56 2.17 0.00 -0.38 -4.43 105.19 103.80 2gbv n GLY 82 Ca 0.18 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.30 5.85 0.00 1.61 1.01 -0.78 -1.12 116.67 120.95 2gbv s ASP 83 Ca 0.30 -0.74 0.23 0.00 0.71 0.00 0.00 52.55 53.04 2gbv s ASP 83 Cb 0.16 -2.56 0.57 0.00 1.01 0.00 0.00 42.92 42.11 2gbv s ASP 83 CO 0.33 -2.06 1.49 0.18 0.21 0.00 0.00 175.17 175.31 2gbv n LEU 84 N 11.04 3.70 0.00 1.23 4.77 -1.03 -3.79 117.00 132.93 2gbv n LEU 84 Ca 0.27 -1.77 0.00 0.00 -0.03 0.00 0.00 56.01 54.48 2gbv n LEU 84 Cb 0.50 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2gbv n LEU 84 CO 0.66 0.89 0.00 0.61 -1.33 0.00 0.00 177.39 178.22 2gbv n GLY 85 N 1.60 0.40 3.34 -0.72 0.00 -1.18 -4.81 105.19 103.81 2gbv n GLY 85 Ca 0.23 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 45.20 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 2.77 0.23 1.61 0.01 -1.26 -0.99 114.94 113.31 2gbv s ASN 86 Ca 0.00 -0.83 0.08 0.00 -0.71 0.00 0.00 52.86 51.40 2gbv s ASN 86 Cb 0.00 -0.17 -0.04 0.00 0.41 0.00 0.00 41.25 41.45 2gbv s ASN 86 CO 0.00 0.01 0.05 0.68 -1.51 0.00 0.00 177.10 176.33 2gbv s VAL 87 N -1.82 3.81 -0.18 1.60 -7.23 -0.01 -4.91 120.40 111.66 2gbv s VAL 87 Ca 0.15 -1.62 0.01 0.00 -1.81 0.00 0.00 61.98 58.71 2gbv s VAL 87 Cb -0.07 -3.01 0.02 0.00 0.56 0.00 0.00 36.38 33.88 2gbv s VAL 87 CO 0.07 -0.28 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.50 2gbv s THR 88 N -2.08 2.17 -0.07 5.32 2.01 -1.26 -0.90 115.64 120.83 2gbv s THR 88 Ca 0.31 -0.90 -0.16 0.00 0.31 0.00 0.00 61.69 61.24 2gbv s THR 88 Cb -0.08 -1.91 -0.05 0.00 0.01 0.00 0.00 72.50 70.47 2gbv s THR 88 CO 0.21 0.53 0.41 0.00 -0.69 0.00 0.00 174.62 175.08 2gbv s ALA 89 N 1.26 3.60 1.14 7.40 0.00 -0.00 -4.14 121.76 131.01 2gbv s ALA 89 Ca 0.04 -0.25 -0.14 0.00 0.00 0.00 0.00 51.96 51.61 2gbv s ALA 89 Cb -0.13 -2.48 0.21 0.00 0.00 0.00 0.00 23.12 20.72 2gbv s ALA 89 CO -0.11 0.25 0.85 -0.40 0.00 0.00 0.00 175.76 176.35 2gbv n ASP 90 N 2.77 -1.32 0.24 0.00 5.68 0.25 -1.46 116.55 122.71 2gbv n ASP 90 Ca -0.11 -1.09 0.09 0.00 -0.50 0.00 0.00 54.79 53.18 2gbv n ASP 90 Cb 0.52 -0.74 0.62 0.00 -1.14 0.00 0.00 41.12 40.37 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 -0.13 0.11 2.10 -1.97 -1.53 116.57 115.15 2gbv h LYS 91 Ca -0.31 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 2gbv h LYS 91 Cb 0.91 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.24 2gbv h LYS 91 CO 0.20 0.16 0.00 -0.25 -2.00 0.00 0.00 179.45 177.56 2gbv n ASP 92 N -3.97 1.21 0.00 7.07 8.00 -1.26 -4.81 116.55 122.80 2gbv n ASP 92 Ca -0.02 -1.67 0.00 0.00 0.71 0.00 0.00 54.79 53.81 2gbv n ASP 92 Cb 0.25 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 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 1.02 0.66 3.70 0.44 0.00 -0.58 -4.75 105.19 105.68 2gbv n GLY 93 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.09 5.36 -0.36 1.61 1.01 -1.26 -1.58 120.40 123.09 2gbv s VAL 94 Ca 0.00 0.27 -0.09 0.00 0.00 0.00 0.00 61.98 62.16 2gbv s VAL 94 Cb 0.00 -3.52 0.04 0.00 0.00 0.00 0.00 36.38 32.90 2gbv s VAL 94 CO 0.00 0.39 0.17 0.00 0.00 0.00 0.00 175.10 175.65 2gbv s ALA 95 N 0.69 3.17 0.11 5.51 0.00 0.16 -0.58 121.76 130.82 2gbv s ALA 95 Ca 0.10 -1.78 -0.30 0.00 0.00 0.00 0.00 51.96 49.98 2gbv s ALA 95 Cb -0.12 -2.45 -0.06 0.00 0.00 0.00 0.00 23.12 20.48 2gbv s ALA 95 CO 0.02 -1.40 1.06 -0.51 0.00 0.00 0.00 175.76 174.93 2gbv s ASP 96 N 1.54 7.32 -0.08 0.00 -0.00 -1.26 -1.06 116.67 123.13 2gbv s ASP 96 Ca 0.00 1.92 0.04 0.00 -0.00 0.00 0.00 52.55 54.52 2gbv s ASP 96 Cb -0.20 -2.59 -0.01 0.00 -0.00 0.00 0.00 42.92 40.12 2gbv s ASP 96 CO 0.04 -0.23 -0.22 -0.69 -0.00 0.00 0.00 175.17 174.08 2gbv s VAL 97 N 0.27 2.34 -0.28 -1.27 1.01 -0.13 -4.67 120.40 117.67 2gbv s VAL 97 Ca 0.51 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 2gbv s VAL 97 Cb -0.26 -1.89 0.17 0.00 0.00 0.00 0.00 36.38 34.40 2gbv s VAL 97 CO 0.31 0.56 0.52 -0.55 0.00 0.00 0.00 175.10 175.95 2gbv s SER 98 N -0.06 -0.81 0.01 3.32 0.15 -1.25 -1.63 113.70 113.43 2gbv s SER 98 Ca -0.06 0.62 0.02 0.00 0.70 0.00 0.00 55.95 57.23 2gbv s SER 98 Cb -0.14 1.79 -0.01 0.00 -1.71 0.00 0.00 66.02 65.95 2gbv s SER 98 CO 0.05 -0.28 -0.08 -0.63 1.20 0.00 0.00 173.24 173.50 2gbv s ILE 99 N 2.75 0.58 -0.10 6.45 1.01 0.13 -5.00 121.20 127.01 2gbv s ILE 99 Ca 0.18 -0.58 0.04 0.00 0.00 0.00 0.00 60.65 60.29 2gbv s ILE 99 Cb -0.15 -0.54 0.00 0.00 0.01 0.00 0.00 42.46 41.79 2gbv s ILE 99 CO -0.20 -0.02 -0.22 -0.70 0.00 0.00 0.00 174.94 173.80 2gbv s GLU 100 N -0.66 2.87 -0.05 2.79 2.12 -1.26 0.07 118.70 124.58 2gbv s GLU 100 Ca -0.01 -0.82 0.02 0.00 0.36 0.00 0.00 54.97 54.52 2gbv s GLU 100 Cb -0.05 -2.18 0.01 0.00 0.26 0.00 0.00 34.13 32.17 2gbv s GLU 100 CO 0.00 0.16 -0.09 0.34 -0.54 0.00 0.00 175.26 175.13 2gbv s ASP 101 N 0.38 1.30 0.00 -1.70 2.15 -0.64 -4.97 116.67 113.19 2gbv s ASP 101 Ca -0.18 -0.20 0.25 0.00 0.43 0.00 0.00 52.55 52.84 2gbv s ASP 101 Cb -0.18 -0.54 0.48 0.00 -0.30 0.00 0.00 42.92 42.39 2gbv s ASP 101 CO 0.08 0.01 1.40 -1.54 -0.17 0.00 0.00 175.17 174.96 2gbv n SER 102 N 3.72 0.57 -0.10 -0.34 3.41 -1.26 -0.61 113.62 119.02 2gbv n SER 102 Ca -0.22 -0.35 -0.24 0.00 -0.26 0.00 0.00 58.87 57.80 2gbv n SER 102 Cb 0.52 0.28 -0.11 0.00 -0.26 0.00 0.00 64.21 64.64 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 -1.43 1.56 -1.26 -3.33 0.31 -1.26 -4.72 118.33 108.21 2gbv n VAL 103 Ca 0.06 -0.19 -0.33 0.00 -0.01 0.00 0.00 64.34 63.87 2gbv n VAL 103 Cb 0.34 -1.95 0.11 0.00 -0.91 0.00 0.00 33.84 31.42 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 -2.42 2.48 0.00 2.52 -4.36 -1.26 -5.05 121.20 113.11 2gbv s ILE 104 Ca -0.31 0.20 -0.11 0.00 -0.26 0.00 0.00 60.65 60.18 2gbv s ILE 104 Cb 0.08 -2.62 0.01 0.00 1.25 0.00 0.00 42.46 41.19 2gbv s ILE 104 CO 0.59 -0.16 0.22 -0.55 0.24 0.00 0.00 174.94 175.28 2gbv s SER 105 N -2.44 -0.06 0.00 4.36 0.15 -1.26 -4.57 113.70 109.88 2gbv s SER 105 Ca 0.70 -0.12 0.26 0.00 0.70 0.00 0.00 55.95 57.49 2gbv s SER 105 Cb -0.25 0.26 0.63 0.00 -1.71 0.00 0.00 66.02 64.95 2gbv s SER 105 CO 0.49 -0.44 1.49 0.18 1.20 0.00 0.00 173.24 176.17 2gbv n LEU 106 N 1.24 1.27 -4.44 3.45 4.77 -1.26 -1.12 117.00 120.91 2gbv n LEU 106 Ca -0.22 -0.38 -0.22 0.00 -0.03 0.00 0.00 56.01 55.17 2gbv n LEU 106 Cb 0.56 -0.09 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 2gbv n LEU 106 CO 0.21 0.23 -0.23 -0.44 -1.33 0.00 0.00 177.39 175.84 2gbv s SER 107 N -2.46 2.22 0.00 -1.43 0.01 -1.26 -4.65 113.70 106.14 2gbv s SER 107 Ca 0.24 -1.50 0.00 0.00 1.31 0.00 0.00 55.95 56.00 2gbv s SER 107 Cb 0.19 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.64 2gbv s SER 107 CO 0.51 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 174.00 2gbv n GLY 108 N -0.72 -1.16 0.17 3.44 0.00 -1.26 -3.49 105.19 102.18 2gbv n GLY 108 Ca -0.03 -1.59 0.13 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.06 1.61 3.32 -2.00 -1.70 116.42 117.59 2gbv h ASP 109 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2gbv h ASP 109 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2gbv h ASP 109 CO 0.00 0.00 -0.33 1.41 -1.72 0.00 0.00 179.24 178.60 2gbv n HIS 110 N -2.39 0.18 -1.60 4.55 8.25 -1.26 -5.07 115.22 117.89 2gbv n HIS 110 Ca 0.01 -1.40 -0.40 0.00 -0.26 0.00 0.00 57.72 55.67 2gbv n HIS 110 Cb 0.17 -0.27 0.03 0.00 1.12 0.00 0.00 29.99 31.04 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 -1.16 0.10 1.58 -1.41 0.00 -0.64 -4.67 120.51 114.30 2gbv n ALA 111 Ca 0.21 0.13 0.14 0.00 0.00 0.00 0.00 53.44 53.92 2gbv n ALA 111 Cb 0.74 -2.07 0.61 0.00 0.00 0.00 0.00 19.45 18.72 2gbv n ALA 111 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2gbv n ILE 112 N -1.03 0.00 -1.87 0.00 -5.35 -0.28 -4.89 119.36 105.95 2gbv n ILE 112 Ca 0.11 -0.19 -0.42 0.00 -0.27 0.00 0.00 62.75 61.98 2gbv n ILE 112 Cb 0.43 0.28 -0.03 0.00 -1.74 0.00 0.00 39.64 38.58 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 -2.04 2.38 0.00 7.28 -1.09 -1.26 -1.58 121.20 124.89 2gbv s ILE 113 Ca 0.39 0.29 0.00 0.00 -2.23 0.00 0.00 60.65 59.10 2gbv s ILE 113 Cb 0.21 -3.18 0.00 0.00 -1.58 0.00 0.00 42.46 37.91 2gbv s ILE 113 CO 0.35 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.71 2gbv n GLY 114 N 3.22 0.83 1.95 6.18 0.00 0.39 -5.01 105.19 112.75 2gbv n GLY 114 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.23 0.82 -5.06 1.61 1.74 -0.62 -2.48 116.66 110.44 2gbv n ARG 115 Ca 0.00 -1.57 -0.32 0.00 -0.77 0.00 0.00 57.85 55.19 2gbv n ARG 115 Cb 0.00 -0.10 -0.16 0.00 -1.02 0.00 0.00 32.46 31.18 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 -0.83 2.44 -0.14 0.55 2.01 -1.04 0.11 115.64 118.74 2gbv s THR 116 Ca 0.30 -0.89 -0.18 0.00 0.31 0.00 0.00 61.69 61.23 2gbv s THR 116 Cb -0.02 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.48 2gbv s THR 116 CO 0.19 0.55 0.45 -0.22 -0.69 0.00 0.00 174.62 174.90 2gbv s LEU 117 N 0.22 4.25 -0.04 4.42 2.96 0.13 0.76 118.68 131.39 2gbv s LEU 117 Ca -0.13 0.74 0.05 0.00 -0.22 0.00 0.00 54.13 54.57 2gbv s LEU 117 Cb -0.16 -2.64 -0.01 0.00 0.50 0.00 0.00 46.19 43.87 2gbv s LEU 117 CO 0.07 -0.02 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.20 2gbv s VAL 118 N 0.79 1.57 -0.13 1.68 1.01 0.49 -1.52 120.40 124.29 2gbv s VAL 118 Ca 0.24 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 2gbv s VAL 118 Cb -0.15 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 2gbv s VAL 118 CO 0.09 0.45 -0.03 0.54 0.00 0.00 0.00 175.10 176.14 2gbv s VAL 119 N -0.17 3.94 0.34 2.92 0.11 -0.56 -1.74 120.40 125.25 2gbv s VAL 119 Ca 0.00 -0.36 0.07 0.00 -2.93 0.00 0.00 61.98 58.77 2gbv s VAL 119 Cb -0.10 -2.70 -0.02 0.00 -1.53 0.00 0.00 36.38 32.03 2gbv s VAL 119 CO 0.01 0.53 0.34 -1.00 -3.33 0.00 0.00 175.10 171.66 2gbv s HIS 120 N -0.06 2.93 0.17 1.54 3.76 0.48 -1.35 115.29 122.76 2gbv s HIS 120 Ca 0.02 -0.30 -0.14 0.00 -0.15 0.00 0.00 55.06 54.49 2gbv s HIS 120 Cb -0.13 -1.88 0.07 0.00 1.11 0.00 0.00 32.58 31.75 2gbv s HIS 120 CO 0.02 0.11 1.84 1.49 -0.85 0.00 0.00 174.74 177.35 2gbv h GLU 121 N 1.14 0.69 -5.15 1.40 4.81 -0.55 -3.38 114.58 113.54 2gbv h GLU 121 Ca -0.45 -0.04 -0.61 0.00 -0.13 0.00 0.00 59.36 58.14 2gbv h GLU 121 Cb 1.26 -0.15 -0.13 0.00 0.63 0.00 0.00 28.75 30.35 2gbv h GLU 121 CO 0.57 0.45 -0.53 0.15 -0.73 0.00 0.00 179.01 178.93 2gbv s LYS 122 N -6.15 2.02 0.41 1.92 1.02 0.84 -4.91 119.74 114.89 2gbv s LYS 122 Ca -0.13 -2.25 -0.25 0.00 0.02 0.00 0.00 55.97 53.36 2gbv s LYS 122 Cb 0.12 -1.05 -0.08 0.00 -0.52 0.00 0.00 37.83 36.30 2gbv s LYS 122 CO 0.74 -0.39 1.24 0.00 -0.92 0.00 0.00 175.35 176.02 2gbv s ALA 123 N -3.06 3.18 -0.15 5.17 0.00 -1.21 -0.51 121.76 125.19 2gbv s ALA 123 Ca 0.18 1.11 -0.29 0.00 0.00 0.00 0.00 51.96 52.96 2gbv s ALA 123 Cb 0.03 -3.44 -0.00 0.00 0.00 0.00 0.00 23.12 19.70 2gbv s ALA 123 CO 0.10 -0.71 1.05 0.34 0.00 0.00 0.00 175.76 176.54 2gbv s ASP 124 N -0.94 7.16 0.00 0.00 -1.08 -1.26 -3.71 116.67 116.83 2gbv s ASP 124 Ca 0.58 1.50 0.20 0.00 -0.52 0.00 0.00 52.55 54.31 2gbv s ASP 124 Cb -0.35 -2.55 1.10 0.00 -1.46 0.00 0.00 42.92 39.66 2gbv s ASP 124 CO 0.44 -0.56 1.72 -0.90 0.52 0.00 0.00 175.17 176.39 2gbv n ASP 125 N 5.62 0.32 -1.68 -0.34 5.68 0.81 -4.89 116.55 122.07 2gbv n ASP 125 Ca 0.10 -1.44 -0.16 0.00 -0.50 0.00 0.00 54.79 52.79 2gbv n ASP 125 Cb 0.47 -0.02 -0.03 0.00 -1.14 0.00 0.00 41.12 40.41 2gbv n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2gbv n LEU 126 N -0.59 -1.57 0.00 -2.12 4.77 -1.26 -1.91 117.00 114.31 2gbv n LEU 126 Ca 0.15 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 2gbv n LEU 126 Cb 0.12 -2.41 0.00 0.00 -2.33 0.00 0.00 43.42 38.80 2gbv n LEU 126 CO 0.12 -0.40 0.00 0.61 -1.33 0.00 0.00 177.39 176.39 2gbv n GLY 127 N -1.00 0.51 1.12 -0.72 0.00 -1.25 -3.11 105.19 100.75 2gbv n GLY 127 Ca -0.19 -0.02 0.09 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 -2.98 3.02 0.20 1.61 5.02 -0.80 -4.56 118.16 119.66 2gbv n LYS 128 Ca 0.00 -2.51 0.13 0.00 -2.02 0.00 0.00 58.31 53.91 2gbv n LYS 128 Cb 0.00 -1.55 0.26 0.00 -0.02 0.00 0.00 35.03 33.72 2gbv n LYS 128 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2gbv h GLY 129 N 3.25 0.00 0.00 0.72 0.00 -1.90 -3.48 103.07 101.66 2gbv h GLY 129 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2gbv h GLY 129 CO 0.07 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.22 2gbv n GLY 130 N 1.05 0.39 3.75 4.60 0.00 -1.26 -5.00 105.19 108.72 2gbv n GLY 130 Ca 0.04 0.00 -0.25 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 -2.04 4.41 0.23 1.61 4.22 -1.26 -5.04 114.94 117.07 2gbv s ASN 131 Ca 0.00 -1.12 -0.07 0.00 -2.14 0.00 0.00 52.86 49.53 2gbv s ASN 131 Cb 0.00 -0.39 0.29 0.00 1.28 0.00 0.00 41.25 42.43 2gbv s ASN 131 CO 0.00 -0.58 1.85 -0.33 -2.04 0.00 0.00 177.10 176.00 2gbv h GLU 132 N 1.40 0.91 0.00 3.55 5.08 -2.02 -2.57 114.58 120.93 2gbv h GLU 132 Ca -0.43 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 57.81 2gbv h GLU 132 Cb 1.26 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 2gbv h GLU 132 CO 0.70 0.60 -0.34 1.49 -1.00 0.00 0.00 179.01 180.46 2gbv h GLU 133 N 0.94 0.00 -0.86 2.33 4.57 -2.00 -2.91 114.58 116.66 2gbv h GLU 133 Ca 0.35 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.58 2gbv h GLU 133 Cb 0.13 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.67 2gbv h GLU 133 CO -0.16 0.34 0.56 1.03 -1.18 0.00 0.00 179.01 179.60 2gbv h SER 134 N 0.00 0.87 -0.09 1.04 0.87 -1.80 0.11 113.55 114.55 2gbv h SER 134 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2gbv h SER 134 Cb 0.64 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 2gbv h SER 134 CO 0.04 0.57 0.00 0.35 -0.53 0.00 0.00 176.83 177.26 2gbv n THR 135 N -4.47 0.12 -0.04 2.23 -2.24 -1.10 -2.28 114.28 106.49 2gbv n THR 135 Ca 0.12 -0.22 -0.10 0.00 -2.27 0.00 0.00 64.05 61.59 2gbv n THR 135 Cb 0.17 0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.52 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 -0.08 0.27 0.00 -0.78 5.02 -0.61 -0.76 118.16 121.22 2gbv n LYS 136 Ca 0.16 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 2gbv n LYS 136 Cb 0.24 -0.96 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 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 -3.77 0.00 -1.10 -0.18 -2.24 0.30 -4.64 114.28 102.65 2gbv n THR 137 Ca -0.17 -0.39 -0.03 0.00 -2.27 0.00 0.00 64.05 61.19 2gbv n THR 137 Cb 0.48 1.05 -0.01 0.00 -2.10 0.00 0.00 70.33 69.75 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 0.61 0.60 2.95 3.38 0.00 -0.97 -3.51 105.19 108.26 2gbv n GLY 138 Ca 0.00 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 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 0.11 -5.95 -0.00 1.61 3.02 -1.25 -0.13 115.26 112.66 2gbv n ASN 139 Ca -0.03 -0.25 0.15 0.00 -0.03 0.00 0.00 54.58 54.41 2gbv n ASN 139 Cb 0.21 -4.83 0.73 0.00 -0.61 0.00 0.00 39.78 35.29 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 -3.33 2.48 -0.36 5.41 0.00 -1.23 -4.70 120.51 118.78 2gbv n ALA 140 Ca -0.13 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2gbv n ALA 140 Cb 0.63 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2gbv n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gbv n GLY 141 N 1.32 -0.23 3.72 0.00 0.00 -1.26 -0.11 105.19 108.63 2gbv n GLY 141 Ca 0.13 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.83 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 3.31 -0.46 1.61 1.04 -1.26 -4.56 113.70 109.37 2gbv s SER 142 Ca 0.00 1.28 -0.18 0.00 0.48 0.00 0.00 55.95 57.53 2gbv s SER 142 Cb 0.00 -1.95 0.05 0.00 0.10 0.00 0.00 66.02 64.22 2gbv s SER 142 CO 0.00 -2.72 0.51 -0.13 0.98 0.00 0.00 173.24 171.89 2gbv s ARG 143 N -5.02 3.09 0.05 4.02 0.52 -1.26 -0.35 118.95 119.99 2gbv s ARG 143 Ca 0.64 -0.90 -0.13 0.00 -0.52 0.00 0.00 55.73 54.82 2gbv s ARG 143 Cb -0.17 -4.05 -0.33 0.00 0.52 0.00 0.00 34.95 30.92 2gbv s ARG 143 CO 0.56 -1.03 1.05 -0.07 0.02 0.00 0.00 175.30 175.83 2gbv h LEU 144 N 9.28 0.75 -7.19 2.53 3.38 -1.52 -3.47 115.31 119.09 2gbv h LEU 144 Ca -0.27 -0.79 -0.06 0.00 0.09 0.00 0.00 57.88 56.85 2gbv h LEU 144 Cb 1.10 -0.24 -0.16 0.00 0.09 0.00 0.00 40.66 41.45 2gbv h LEU 144 CO 0.88 1.61 0.05 0.00 0.09 0.00 0.00 178.44 181.07 2gbv s ALA 145 N -2.67 -1.36 0.12 1.53 0.00 -1.16 -4.14 121.76 114.09 2gbv s ALA 145 Ca -0.08 0.65 -0.16 0.00 0.00 0.00 0.00 51.96 52.36 2gbv s ALA 145 Cb 0.05 0.36 0.04 0.00 0.00 0.00 0.00 23.12 23.57 2gbv s ALA 145 CO 0.93 -0.50 0.40 0.00 0.00 0.00 0.00 175.76 176.60 2gbv s ALA 146 N -2.36 -0.95 -0.14 0.00 0.00 -0.35 -1.49 121.76 116.47 2gbv s ALA 146 Ca -0.06 -0.02 -0.24 0.00 0.00 0.00 0.00 51.96 51.64 2gbv s ALA 146 Cb -0.01 0.68 0.06 0.00 0.00 0.00 0.00 23.12 23.85 2gbv s ALA 146 CO -0.01 -0.63 0.60 0.20 0.00 0.00 0.00 175.76 175.92 2gbv s GLY 147 N -2.76 -0.47 0.17 0.00 0.00 -0.57 -1.19 107.32 102.49 2gbv s GLY 147 Ca 0.02 1.42 -0.30 0.00 0.00 0.00 0.00 44.72 45.87 2gbv s GLY 147 CO -0.12 1.14 1.12 0.14 0.00 0.00 0.00 173.10 175.38 2gbv s VAL 148 N -0.42 3.86 -0.40 1.40 1.01 -1.26 -0.69 120.40 123.90 2gbv s VAL 148 Ca -0.06 1.57 -0.28 0.00 0.00 0.00 0.00 61.98 63.21 2gbv s VAL 148 Cb -0.03 -4.00 0.02 0.00 0.00 0.00 0.00 36.38 32.37 2gbv s VAL 148 CO 0.05 0.25 1.04 -0.63 0.00 0.00 0.00 175.10 175.80 2gbv s ILE 149 N -0.08 4.43 0.25 2.22 1.01 0.12 -4.45 121.20 124.68 2gbv s ILE 149 Ca 0.51 1.31 0.09 0.00 0.00 0.00 0.00 60.65 62.56 2gbv s ILE 149 Cb -0.30 -4.46 -0.04 0.00 0.01 0.00 0.00 42.46 37.68 2gbv s ILE 149 CO 0.35 -0.70 0.02 -0.83 0.00 0.00 0.00 174.94 173.77 2gbv s GLY 150 N 2.04 1.63 0.15 6.18 0.00 -0.08 -0.46 107.32 116.79 2gbv s GLY 150 Ca 0.43 -1.57 -0.30 0.00 0.00 0.00 0.00 44.72 43.28 2gbv s GLY 150 CO 0.23 -1.62 1.30 -0.42 0.00 0.00 0.00 173.10 172.58 2gbv s ILE 151 N -2.18 3.40 0.26 0.90 1.01 -1.26 -0.93 121.20 122.40 2gbv s ILE 151 Ca 0.31 1.09 0.10 0.00 0.00 0.00 0.00 60.65 62.14 2gbv s ILE 151 Cb -0.07 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 2gbv s ILE 151 CO 0.20 0.13 -0.01 0.00 0.00 0.00 0.00 174.94 175.26 2gbv s ALA 152 N 0.51 3.14 -2.00 9.38 0.00 -0.82 -4.82 121.76 127.16 2gbv s ALA 152 Ca 0.59 -1.64 0.16 0.00 0.00 0.00 0.00 51.96 51.06 2gbv s ALA 152 Cb -0.35 -0.77 0.94 0.00 0.00 0.00 0.00 23.12 22.95 2gbv s ALA 152 CO 0.34 0.28 1.35 0.94 0.00 0.00 0.00 175.76 178.68