#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gbt s THR 2 N 0.00 4.35 0.03 0.00 2.01 -0.01 -4.96 115.64 117.07 2gbt s THR 2 Ca 0.00 -0.47 0.03 0.00 0.31 0.00 0.00 61.69 61.56 2gbt s THR 2 Cb 0.00 -2.93 -0.02 0.00 0.01 0.00 0.00 72.50 69.56 2gbt s THR 2 CO 0.00 0.42 -0.09 -0.54 -0.69 0.00 0.00 174.62 173.72 2gbt s LYS 3 N -1.46 0.62 0.21 4.92 1.02 -1.26 -0.64 119.74 123.15 2gbt s LYS 3 Ca 0.19 -0.63 -0.03 0.00 0.02 0.00 0.00 55.97 55.52 2gbt s LYS 3 Cb -0.12 -0.52 -0.03 0.00 -0.52 0.00 0.00 37.83 36.64 2gbt s LYS 3 CO 0.09 0.12 0.19 0.00 -0.92 0.00 0.00 175.35 174.84 2gbt s ALA 4 N -0.94 0.92 -0.04 5.17 0.00 -0.54 -1.70 121.76 124.63 2gbt s ALA 4 Ca -0.04 -1.56 -0.18 0.00 0.00 0.00 0.00 51.96 50.18 2gbt s ALA 4 Cb -0.08 1.33 0.04 0.00 0.00 0.00 0.00 23.12 24.41 2gbt s ALA 4 CO 0.01 -0.64 0.40 0.54 0.00 0.00 0.00 175.76 176.07 2gbt s VAL 5 N -4.13 0.04 -0.05 0.00 0.11 0.04 -1.20 120.40 115.20 2gbt s VAL 5 Ca 0.36 -0.30 0.02 0.00 -2.93 0.00 0.00 61.98 59.12 2gbt s VAL 5 Cb 0.06 -0.69 0.02 0.00 -1.53 0.00 0.00 36.38 34.23 2gbt s VAL 5 CO 0.12 -0.17 -0.09 0.00 -3.33 0.00 0.00 175.10 171.63 2gbt s ALA 6 N -1.06 1.01 -0.30 1.54 0.00 0.03 -0.37 121.76 122.60 2gbt s ALA 6 Ca -0.11 -0.26 -0.12 0.00 0.00 0.00 0.00 51.96 51.47 2gbt s ALA 6 Cb -0.04 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 2gbt s ALA 6 CO 0.05 0.07 0.21 0.08 0.00 0.00 0.00 175.76 176.17 2gbt s VAL 7 N 0.73 5.30 -0.14 0.00 1.01 -1.26 -1.15 120.40 124.89 2gbt s VAL 7 Ca -0.13 0.08 -0.17 0.00 0.00 0.00 0.00 61.98 61.76 2gbt s VAL 7 Cb -0.15 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 2gbt s VAL 7 CO 0.02 0.18 0.42 -0.76 0.00 0.00 0.00 175.10 174.96 2gbt s LEU 8 N 1.76 4.25 0.04 3.92 1.43 0.86 -3.89 118.68 127.05 2gbt s LEU 8 Ca 0.07 0.69 -0.10 0.00 -1.03 0.00 0.00 54.13 53.76 2gbt s LEU 8 Cb -0.16 -2.58 0.01 0.00 0.03 0.00 0.00 46.19 43.48 2gbt s LEU 8 CO 0.11 0.02 0.21 -0.54 0.23 0.00 0.00 176.35 176.38 2gbt s LYS 9 N 0.68 0.71 0.00 1.70 1.02 -0.36 -2.43 119.74 121.06 2gbt s LYS 9 Ca 0.22 -0.60 0.00 0.00 0.02 0.00 0.00 55.97 55.61 2gbt s LYS 9 Cb -0.14 0.30 0.00 0.00 -0.52 0.00 0.00 37.83 37.46 2gbt s LYS 9 CO 0.08 -0.21 0.00 0.41 -0.92 0.00 0.00 175.35 174.71 2gbt n GLY 10 N 0.69 3.46 0.12 -3.33 0.00 -1.25 -0.55 105.19 104.33 2gbt n GLY 10 Ca -0.19 -0.93 0.13 0.00 0.00 0.00 0.00 46.02 45.03 2gbt n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2gbt h ASP 11 N 0.00 0.00 -1.18 1.61 3.32 -1.91 -3.46 116.42 114.80 2gbt h ASP 11 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2gbt h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2gbt h ASP 11 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 2gbt n GLY 12 N 1.28 4.57 0.09 2.75 0.00 -1.26 -5.03 105.19 107.58 2gbt n GLY 12 Ca 0.05 -2.00 0.15 0.00 0.00 0.00 0.00 46.02 44.23 2gbt n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2gbt n PRO 13 N 0.00 0.92 -2.34 1.61 -0.04 -1.26 -4.88 135.00 129.01 2gbt n PRO 13 Ca 0.00 -0.17 -0.42 0.00 -0.04 0.00 0.00 63.50 62.86 2gbt n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 2gbt n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2gbt s VAL 14 N -2.20 4.02 -0.01 0.52 1.01 -1.26 -4.30 120.40 118.19 2gbt s VAL 14 Ca 0.39 1.34 -0.20 0.00 0.00 0.00 0.00 61.98 63.51 2gbt s VAL 14 Cb 0.21 -3.86 0.04 0.00 0.00 0.00 0.00 36.38 32.77 2gbt s VAL 14 CO 0.40 -0.04 0.44 0.00 0.00 0.00 0.00 175.10 175.91 2gbt s GLN 15 N 2.70 0.84 -0.01 2.72 -2.07 -0.69 -3.83 119.66 119.32 2gbt s GLN 15 Ca 0.60 -0.10 -0.29 0.00 -1.82 0.00 0.00 55.36 53.75 2gbt s GLN 15 Cb -0.27 0.38 0.10 0.00 -1.09 0.00 0.00 33.01 32.14 2gbt s GLN 15 CO 0.22 -0.26 1.28 0.20 -1.32 0.00 0.00 175.29 175.42 2gbt s GLY 16 N -1.44 -0.19 -0.07 2.60 0.00 -1.02 -0.20 107.32 107.00 2gbt s GLY 16 Ca -0.11 0.20 0.02 0.00 0.00 0.00 0.00 44.72 44.82 2gbt s GLY 16 CO 0.04 4.12 -0.10 -0.42 0.00 0.00 0.00 173.10 176.74 2gbt s ILE 17 N -2.12 1.02 -0.12 0.90 1.01 -0.74 -0.10 121.20 121.05 2gbt s ILE 17 Ca 0.25 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.53 2gbt s ILE 17 Cb 0.01 -0.96 0.01 0.00 0.01 0.00 0.00 42.46 41.53 2gbt s ILE 17 CO -0.01 0.34 -0.17 -0.63 0.00 0.00 0.00 174.94 174.47 2gbt s ILE 18 N 0.90 1.65 0.02 2.92 -1.09 -0.30 -2.38 121.20 122.91 2gbt s ILE 18 Ca -0.10 -0.73 -0.01 0.00 -2.23 0.00 0.00 60.65 57.58 2gbt s ILE 18 Cb -0.15 -1.49 -0.04 0.00 -1.58 0.00 0.00 42.46 39.20 2gbt s ILE 18 CO 0.01 0.47 0.16 0.20 -1.23 0.00 0.00 174.94 174.54 2gbt s ASN 19 N 0.99 6.12 -0.03 3.58 0.01 0.10 -0.79 114.94 124.93 2gbt s ASN 19 Ca -0.06 0.25 0.05 0.00 -0.71 0.00 0.00 52.86 52.39 2gbt s ASN 19 Cb -0.15 -1.85 -0.01 0.00 0.41 0.00 0.00 41.25 39.65 2gbt s ASN 19 CO -0.03 0.23 -0.17 -0.36 -1.51 0.00 0.00 177.10 175.27 2gbt s PHE 20 N -1.35 1.61 -0.03 2.20 0.40 -0.34 -1.23 117.98 119.24 2gbt s PHE 20 Ca 0.28 -0.38 -0.01 0.00 -0.60 0.00 0.00 56.93 56.23 2gbt s PHE 20 Cb -0.13 -1.06 0.03 0.00 0.51 0.00 0.00 43.02 42.37 2gbt s PHE 20 CO 0.20 -0.09 0.06 -2.00 0.70 0.00 0.00 175.22 174.10 2gbt s GLU 21 N -0.20 0.01 -0.25 0.44 2.12 -0.16 -1.47 118.70 119.19 2gbt s GLU 21 Ca 0.02 0.21 -0.01 0.00 0.36 0.00 0.00 54.97 55.55 2gbt s GLU 21 Cb -0.09 -0.17 0.07 0.00 0.26 0.00 0.00 34.13 34.20 2gbt s GLU 21 CO 0.01 -0.13 0.03 -1.14 -0.54 0.00 0.00 175.26 173.48 2gbt s GLN 22 N 0.87 0.98 0.15 4.30 0.74 0.19 -0.64 119.66 126.25 2gbt s GLN 22 Ca -0.07 -0.84 -0.09 0.00 0.05 0.00 0.00 55.36 54.40 2gbt s GLN 22 Cb -0.10 -2.26 -0.03 0.00 1.10 0.00 0.00 33.01 31.73 2gbt s GLN 22 CO -0.03 -0.75 1.45 0.87 -0.55 0.00 0.00 175.29 176.28 2gbt h LYS 23 N 8.09 0.83 -6.14 1.67 1.57 -1.83 0.01 116.57 120.77 2gbt h LYS 23 Ca -0.15 -0.50 -0.67 0.00 -1.87 0.00 0.00 60.65 57.46 2gbt h LYS 23 Cb 1.07 0.05 -0.31 0.00 0.08 0.00 0.00 32.23 33.12 2gbt h LYS 23 CO 0.41 1.13 -0.88 -1.21 -0.57 0.00 0.00 179.45 178.33 2gbt s GLU 24 N -4.19 2.18 0.56 3.15 8.01 -1.26 -3.91 118.70 123.25 2gbt s GLU 24 Ca -0.10 -0.86 0.25 0.00 0.01 0.00 0.00 54.97 54.27 2gbt s GLU 24 Cb 0.11 -1.97 1.59 0.00 -4.31 0.00 0.00 34.13 29.55 2gbt s GLU 24 CO 0.88 0.44 2.19 0.66 0.01 0.00 0.00 175.26 179.44 2gbt h SER 25 N 5.82 0.00 -0.44 -0.19 4.64 -1.97 0.41 113.55 121.82 2gbt h SER 25 Ca -0.37 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.89 2gbt h SER 25 Cb 1.15 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.20 2gbt h SER 25 CO 0.47 0.00 0.05 -0.46 -0.87 0.00 0.00 176.83 176.02 2gbt n ASN 26 N -4.11 4.33 -4.86 4.97 6.94 -1.26 -4.90 115.26 116.36 2gbt n ASN 26 Ca -0.02 -3.13 -0.30 0.00 -0.02 0.00 0.00 54.58 51.11 2gbt n ASN 26 Cb 0.13 -0.63 -0.03 0.00 -2.36 0.00 0.00 39.78 36.89 2gbt n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 2gbt s GLY 27 N -1.58 2.72 0.71 4.83 0.00 0.13 -5.12 107.32 109.01 2gbt s GLY 27 Ca 0.48 -0.65 -0.13 0.00 0.00 0.00 0.00 44.72 44.42 2gbt s GLY 27 CO 0.10 -2.08 1.10 2.56 0.00 0.00 0.00 173.10 174.79 2gbt s PRO 28 N -4.13 2.57 -0.22 2.90 0.04 -1.26 -4.83 135.00 130.07 2gbt s PRO 28 Ca 0.18 1.28 -0.06 0.00 0.04 0.00 0.00 61.00 62.44 2gbt s PRO 28 Cb -0.01 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 2gbt s PRO 28 CO 0.11 -1.42 0.03 0.08 0.04 0.00 0.00 177.00 175.85 2gbt s VAL 29 N -2.61 4.18 0.01 -0.36 1.01 0.30 -4.28 120.40 118.64 2gbt s VAL 29 Ca 0.64 -0.23 -0.22 0.00 0.00 0.00 0.00 61.98 62.17 2gbt s VAL 29 Cb -0.19 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 2gbt s VAL 29 CO 0.48 0.40 0.67 -0.54 0.00 0.00 0.00 175.10 176.11 2gbt s LYS 30 N 1.17 4.40 -0.13 2.72 1.02 0.19 -1.17 119.74 127.94 2gbt s LYS 30 Ca 0.04 0.87 0.01 0.00 0.02 0.00 0.00 55.97 56.91 2gbt s LYS 30 Cb -0.14 -3.36 0.02 0.00 -0.52 0.00 0.00 37.83 33.82 2gbt s LYS 30 CO 0.02 0.30 -0.14 0.08 -0.92 0.00 0.00 175.35 174.69 2gbt s VAL 31 N -0.03 1.50 0.07 3.17 1.01 0.75 -0.99 120.40 125.88 2gbt s VAL 31 Ca 0.34 -0.62 -0.18 0.00 0.00 0.00 0.00 61.98 61.52 2gbt s VAL 31 Cb -0.19 -1.39 0.04 0.00 0.00 0.00 0.00 36.38 34.84 2gbt s VAL 31 CO 0.19 0.44 0.43 -1.66 0.00 0.00 0.00 175.10 174.51 2gbt s TRP 32 N 1.23 -0.28 -5.00 5.22 -2.14 -0.37 -0.12 118.94 117.48 2gbt s TRP 32 Ca -0.01 0.17 0.00 0.00 2.66 0.00 0.00 56.10 58.92 2gbt s TRP 32 Cb -0.14 0.26 0.00 0.00 -3.10 0.00 0.00 33.47 30.50 2gbt s TRP 32 CO -0.06 -0.63 0.00 0.41 -2.66 0.00 0.00 176.95 174.01 2gbt n GLY 33 N 0.23 -0.41 2.96 3.67 0.00 -0.88 0.02 105.19 110.78 2gbt n GLY 33 Ca -0.18 -1.07 -0.10 0.00 0.00 0.00 0.00 46.02 44.67 2gbt n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gbt s SER 34 N -4.00 0.14 -0.03 1.61 0.15 -1.00 -0.03 113.70 110.55 2gbt s SER 34 Ca 0.00 -0.31 0.02 0.00 0.70 0.00 0.00 55.95 56.36 2gbt s SER 34 Cb 0.00 0.09 0.01 0.00 -1.71 0.00 0.00 66.02 64.41 2gbt s SER 34 CO 0.00 -0.22 -0.07 -0.63 1.20 0.00 0.00 173.24 173.52 2gbt s ILE 35 N -1.00 0.66 0.40 6.45 1.01 -0.32 -1.79 121.20 126.61 2gbt s ILE 35 Ca -0.11 -0.28 0.05 0.00 0.00 0.00 0.00 60.65 60.30 2gbt s ILE 35 Cb -0.07 -0.60 -0.06 0.00 0.01 0.00 0.00 42.46 41.74 2gbt s ILE 35 CO -0.00 0.22 0.04 -1.59 0.00 0.00 0.00 174.94 173.60 2gbt s LYS 36 N 0.30 1.89 0.00 2.79 -2.85 0.72 -0.19 119.74 122.39 2gbt s LYS 36 Ca -0.04 -2.10 0.00 0.00 -1.00 0.00 0.00 55.97 52.83 2gbt s LYS 36 Cb -0.09 -1.23 0.00 0.00 -2.06 0.00 0.00 37.83 34.45 2gbt s LYS 36 CO 0.00 -0.20 0.00 0.41 0.10 0.00 0.00 175.35 175.66 2gbt n GLY 37 N -0.91 0.46 3.90 0.59 0.00 -1.03 -1.70 105.19 106.48 2gbt n GLY 37 Ca -0.07 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 2gbt n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gbt s LEU 38 N 0.00 4.16 0.45 0.99 1.43 -0.77 -4.23 118.68 120.71 2gbt s LEU 38 Ca 0.00 0.71 -0.23 0.00 -1.03 0.00 0.00 54.13 53.58 2gbt s LEU 38 Cb 0.00 -3.48 -0.08 0.00 0.03 0.00 0.00 46.19 42.66 2gbt s LEU 38 CO 0.00 -0.08 1.15 0.42 0.23 0.00 0.00 176.35 178.07 2gbt s THR 39 N -1.88 3.18 0.21 5.49 -4.23 -1.26 -4.04 115.64 113.11 2gbt s THR 39 Ca 0.44 0.88 -0.32 0.00 -1.18 0.00 0.00 61.69 61.51 2gbt s THR 39 Cb -0.11 -3.44 -0.14 0.00 1.34 0.00 0.00 72.50 70.15 2gbt s THR 39 CO 0.26 -0.01 1.46 1.21 -0.54 0.00 0.00 174.62 176.99 2gbt n GLU 40 N -0.46 2.06 0.00 3.99 2.13 -1.26 -4.58 120.64 122.52 2gbt n GLU 40 Ca 0.07 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.63 2gbt n GLU 40 Cb 0.48 -2.43 0.00 0.00 0.27 0.00 0.00 31.44 29.77 2gbt n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2gbt n GLY 41 N 2.54 0.39 3.78 8.31 0.00 -0.55 -4.92 105.19 114.74 2gbt n GLY 41 Ca 0.13 -2.28 -0.39 0.00 0.00 0.00 0.00 46.02 43.49 2gbt n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gbt s LEU 42 N 0.00 4.53 -0.05 0.99 1.43 -1.26 -0.98 118.68 123.33 2gbt s LEU 42 Ca 0.00 1.63 -0.00 0.00 -1.03 0.00 0.00 54.13 54.73 2gbt s LEU 42 Cb 0.00 -3.42 0.03 0.00 0.03 0.00 0.00 46.19 42.83 2gbt s LEU 42 CO 0.00 0.15 -0.01 -1.00 0.23 0.00 0.00 176.35 175.72 2gbt s HIS 43 N -1.26 0.62 0.40 0.29 3.76 -0.10 -3.16 115.29 115.84 2gbt s HIS 43 Ca 0.38 -0.14 -0.24 0.00 -0.15 0.00 0.00 55.06 54.91 2gbt s HIS 43 Cb -0.22 -0.67 -0.11 0.00 1.11 0.00 0.00 32.58 32.69 2gbt s HIS 43 CO 0.25 -0.24 0.87 0.41 -0.85 0.00 0.00 174.74 175.19 2gbt n GLY 44 N 4.56 -0.59 2.64 -2.22 0.00 -0.26 -0.97 105.19 108.35 2gbt n GLY 44 Ca -0.17 0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 2gbt n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2gbt s PHE 45 N -1.30 0.55 0.01 1.61 5.36 -0.32 -0.72 117.98 123.16 2gbt s PHE 45 Ca 0.63 -0.65 0.00 0.00 -0.96 0.00 0.00 56.93 55.96 2gbt s PHE 45 Cb -0.59 -0.88 -0.01 0.00 -0.34 0.00 0.00 43.02 41.20 2gbt s PHE 45 CO 0.57 -0.61 -0.01 -1.01 -1.46 0.00 0.00 175.22 172.69 2gbt s HIS 46 N 2.02 0.13 -0.14 10.12 3.76 -0.72 -1.65 115.29 128.80 2gbt s HIS 46 Ca 0.03 -0.17 -0.23 0.00 -0.15 0.00 0.00 55.06 54.54 2gbt s HIS 46 Cb -0.16 -0.09 -0.03 0.00 1.11 0.00 0.00 32.58 33.41 2gbt s HIS 46 CO -0.14 -0.06 0.70 0.08 -0.85 0.00 0.00 174.74 174.47 2gbt s VAL 47 N -0.45 5.00 0.26 -0.90 1.01 -0.02 -0.66 120.40 124.64 2gbt s VAL 47 Ca -0.05 1.38 0.06 0.00 0.00 0.00 0.00 61.98 63.38 2gbt s VAL 47 Cb -0.03 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 2gbt s VAL 47 CO -0.00 0.15 0.32 -1.00 0.00 0.00 0.00 175.10 174.56 2gbt s HIS 48 N 1.53 3.30 0.14 5.22 3.76 0.17 -0.97 115.29 128.44 2gbt s HIS 48 Ca 0.34 -0.08 -0.13 0.00 -0.15 0.00 0.00 55.06 55.05 2gbt s HIS 48 Cb -0.17 -1.56 0.00 0.00 1.11 0.00 0.00 32.58 31.97 2gbt s HIS 48 CO 0.14 0.42 1.58 1.49 -0.85 0.00 0.00 174.74 177.51 2gbt h GLU 49 N 1.25 0.84 -5.96 1.40 4.81 -0.98 -2.69 114.58 113.25 2gbt h GLU 49 Ca -0.50 -0.28 -0.68 0.00 -0.13 0.00 0.00 59.36 57.77 2gbt h GLU 49 Cb 1.24 -0.07 -0.17 0.00 0.63 0.00 0.00 28.75 30.38 2gbt h GLU 49 CO 0.60 0.91 -0.65 -0.06 -0.73 0.00 0.00 179.01 179.08 2gbt s PHE 50 N -4.94 3.08 -0.28 0.92 0.08 -0.38 -4.66 117.98 111.80 2gbt s PHE 50 Ca -0.12 0.09 -0.05 0.00 0.12 0.00 0.00 56.93 56.97 2gbt s PHE 50 Cb 0.11 -1.78 -0.06 0.00 -0.57 0.00 0.00 43.02 40.71 2gbt s PHE 50 CO 0.82 0.37 3.09 0.41 -0.10 0.00 0.00 175.22 179.82 2gbt n GLY 51 N 2.31 3.82 3.13 4.36 0.00 -1.02 -3.68 105.19 114.11 2gbt n GLY 51 Ca -0.18 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 43.89 2gbt n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gbt s ASP 52 N 0.99 4.26 -0.23 1.61 -1.08 -1.26 -4.96 116.67 116.00 2gbt s ASP 52 Ca 0.62 -1.09 0.13 0.00 -0.52 0.00 0.00 52.55 51.69 2gbt s ASP 52 Cb 0.36 -1.60 0.51 0.00 -1.46 0.00 0.00 42.92 40.72 2gbt s ASP 52 CO -0.14 -0.15 1.43 -3.20 0.52 0.00 0.00 175.17 173.64 2gbt n ASN 53 N 4.57 3.16 0.17 -0.34 5.15 -1.26 -2.75 115.26 123.94 2gbt n ASN 53 Ca -0.16 -3.37 0.01 0.00 -0.60 0.00 0.00 54.58 50.46 2gbt n ASN 53 Cb 0.45 -0.58 0.28 0.00 -0.53 0.00 0.00 39.78 39.40 2gbt n ASN 53 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 2gbt h THR 54 N 1.31 1.34 -1.33 -0.44 1.35 -1.93 -2.94 112.91 110.26 2gbt h THR 54 Ca 0.11 -1.61 -0.58 0.00 -0.55 0.00 0.00 66.41 63.78 2gbt h THR 54 Cb 1.54 1.87 -0.42 0.00 -1.73 0.00 0.00 68.15 69.40 2gbt h THR 54 CO 0.30 0.46 -0.76 0.00 -0.25 0.00 0.00 175.52 175.27 2gbt n ALA 55 N -2.45 5.02 -0.64 6.62 0.00 -1.26 -5.07 120.51 122.73 2gbt n ALA 55 Ca -0.02 -4.18 0.00 0.00 0.00 0.00 0.00 53.44 49.25 2gbt n ALA 55 Cb 0.49 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.44 2gbt n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gbt n GLY 56 N -0.53 1.21 0.14 0.00 0.00 -1.11 -3.15 105.19 101.74 2gbt n GLY 56 Ca 0.39 -0.69 0.13 0.00 0.00 0.00 0.00 46.02 45.85 2gbt n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gbt h THR 58 N 0.00 1.22 0.00 0.00 2.02 -1.89 -2.76 112.91 111.50 2gbt h THR 58 Ca 0.00 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.48 2gbt h THR 58 Cb 0.68 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 2gbt h THR 58 CO 0.00 0.28 0.00 -1.54 0.37 0.00 0.00 175.52 174.63 2gbt n SER 59 N -4.31 0.00 0.13 4.18 3.41 -1.22 -2.54 113.62 113.27 2gbt n SER 59 Ca 0.05 -0.11 0.12 0.00 -0.26 0.00 0.00 58.87 58.67 2gbt n SER 59 Cb 0.18 -0.27 0.50 0.00 -0.26 0.00 0.00 64.21 64.36 2gbt n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gbt n ALA 60 N -1.27 1.55 -0.25 7.33 0.00 -1.04 -4.39 120.51 122.44 2gbt n ALA 60 Ca 0.12 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2gbt n ALA 60 Cb 0.18 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.26 2gbt n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gbt n GLY 61 N -0.23 -0.38 3.94 0.00 0.00 -1.05 -1.25 105.19 106.20 2gbt n GLY 61 Ca 0.01 -1.07 -0.28 0.00 0.00 0.00 0.00 46.02 44.69 2gbt n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gbt s PRO 62 N 0.00 1.36 0.25 1.61 0.04 -1.26 -4.66 135.00 132.34 2gbt s PRO 62 Ca 0.00 -0.43 -0.30 0.00 0.04 0.00 0.00 61.00 60.31 2gbt s PRO 62 Cb 0.00 -2.02 -0.14 0.00 0.04 0.00 0.00 34.50 32.37 2gbt s PRO 62 CO 0.00 -1.86 1.09 0.72 0.04 0.00 0.00 177.00 176.99 2gbt n HIS 63 N -3.35 1.35 -2.23 0.56 8.25 -1.26 -1.18 115.22 117.36 2gbt n HIS 63 Ca 0.13 0.67 -0.42 0.00 -0.26 0.00 0.00 57.72 57.84 2gbt n HIS 63 Cb 0.60 -2.28 -0.03 0.00 1.12 0.00 0.00 29.99 29.41 2gbt n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2gbt s PHE 64 N -0.70 2.98 -0.45 4.41 5.36 -0.14 -4.55 117.98 124.88 2gbt s PHE 64 Ca 0.64 0.89 0.07 0.00 -0.96 0.00 0.00 56.93 57.56 2gbt s PHE 64 Cb -0.74 -3.65 0.18 0.00 -0.34 0.00 0.00 43.02 38.47 2gbt s PHE 64 CO 0.57 -2.33 0.61 1.21 -1.46 0.00 0.00 175.22 173.81 2gbt s ASN 65 N 1.67 -0.86 0.99 6.13 2.47 -1.26 -2.83 114.94 121.25 2gbt s ASN 65 Ca 0.63 -1.50 -0.12 0.00 0.42 0.00 0.00 52.86 52.29 2gbt s ASN 65 Cb -0.32 1.53 0.18 0.00 -1.45 0.00 0.00 41.25 41.19 2gbt s ASN 65 CO 0.27 -0.13 1.10 -2.16 -3.72 0.00 0.00 177.10 172.46 2gbt s PRO 66 N 1.22 0.48 -1.38 0.43 0.04 -1.26 -4.89 135.00 129.64 2gbt s PRO 66 Ca 0.23 0.49 -0.11 0.00 0.04 0.00 0.00 61.00 61.65 2gbt s PRO 66 Cb -0.03 -1.75 -0.05 0.00 0.04 0.00 0.00 34.50 32.71 2gbt s PRO 66 CO -0.07 -2.69 2.53 -0.11 0.04 0.00 0.00 177.00 176.70 2gbt n LEU 67 N -4.14 7.18 0.00 -3.56 7.94 -1.26 -5.06 117.00 118.11 2gbt n LEU 67 Ca 0.05 -3.92 0.00 0.00 -1.11 0.00 0.00 56.01 51.04 2gbt n LEU 67 Cb 0.57 -1.46 0.00 0.00 0.53 0.00 0.00 43.42 43.06 2gbt n LEU 67 CO 0.57 1.35 0.01 -1.20 -1.11 0.00 0.00 177.39 177.01 2gbt n SER 68 N 4.70 0.00 0.00 1.96 7.64 -1.26 -5.20 113.62 121.46 2gbt n SER 68 Ca 0.63 0.02 0.00 0.00 1.01 0.00 0.00 58.87 60.53 2gbt n SER 68 Cb 0.27 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 2gbt n SER 68 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2gbt n ARG 79 N -0.07 0.00 -1.57 1.43 1.74 -1.26 -5.27 116.66 111.67 2gbt n ARG 79 Ca 0.00 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 2gbt n ARG 79 Cb 0.00 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.50 2gbt n ARG 79 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2gbt s HIS 80 N 0.00 2.72 0.16 -1.55 -3.43 -1.26 -4.94 115.29 106.98 2gbt s HIS 80 Ca 0.00 1.53 -0.17 0.00 -0.80 0.00 0.00 55.06 55.62 2gbt s HIS 80 Cb 0.00 -3.06 0.07 0.00 -1.43 0.00 0.00 32.58 28.16 2gbt s HIS 80 CO 0.00 -1.60 1.72 0.28 -2.00 0.00 0.00 174.74 173.14 2gbt h VAL 81 N -0.49 0.79 0.00 -5.38 2.07 -1.93 -1.96 116.25 109.35 2gbt h VAL 81 Ca -0.45 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2gbt h VAL 81 Cb 1.23 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 2gbt h VAL 81 CO 0.54 0.03 0.00 0.61 0.02 0.00 0.00 177.57 178.76 2gbt n GLY 82 N -1.24 -0.50 3.58 2.17 0.00 -1.13 -4.33 105.19 103.74 2gbt n GLY 82 Ca 0.01 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 2gbt n GLY 82 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gbt s ASP 83 N -1.93 5.99 -0.26 1.61 -1.08 -0.74 -0.84 116.67 119.42 2gbt s ASP 83 Ca 0.21 0.51 0.12 0.00 -0.52 0.00 0.00 52.55 52.87 2gbt s ASP 83 Cb 0.09 -2.54 0.57 0.00 -1.46 0.00 0.00 42.92 39.58 2gbt s ASP 83 CO 0.16 -1.78 1.54 0.18 0.52 0.00 0.00 175.17 175.79 2gbt n LEU 84 N 10.06 4.54 0.00 -1.34 4.77 -0.66 -4.97 117.00 129.41 2gbt n LEU 84 Ca 0.16 -3.37 0.00 0.00 -0.03 0.00 0.00 56.01 52.77 2gbt n LEU 84 Cb 0.49 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 2gbt n LEU 84 CO 0.71 0.93 0.00 0.61 -1.33 0.00 0.00 177.39 178.31 2gbt n GLY 85 N -0.71 1.16 3.43 -0.72 0.00 -1.22 -4.76 105.19 102.36 2gbt n GLY 85 Ca 0.31 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 2gbt n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2gbt s ASN 86 N -4.00 2.92 0.23 1.61 0.01 -1.26 -1.18 114.94 113.27 2gbt s ASN 86 Ca 0.00 -1.15 0.09 0.00 -0.71 0.00 0.00 52.86 51.10 2gbt s ASN 86 Cb 0.00 -0.20 -0.04 0.00 0.41 0.00 0.00 41.25 41.42 2gbt s ASN 86 CO 0.00 -0.26 -0.06 0.68 -1.51 0.00 0.00 177.10 175.95 2gbt s VAL 87 N -2.91 3.27 -0.19 1.60 -7.23 -0.14 -4.86 120.40 109.94 2gbt s VAL 87 Ca 0.29 -1.83 0.01 0.00 -1.81 0.00 0.00 61.98 58.64 2gbt s VAL 87 Cb 0.02 -2.69 0.03 0.00 0.56 0.00 0.00 36.38 34.30 2gbt s VAL 87 CO 0.12 -0.26 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.58 2gbt s THR 88 N -2.06 2.07 0.03 5.32 2.01 -1.26 -0.93 115.64 120.82 2gbt s THR 88 Ca 0.28 -1.05 -0.19 0.00 0.31 0.00 0.00 61.69 61.05 2gbt s THR 88 Cb -0.07 -1.92 -0.06 0.00 0.01 0.00 0.00 72.50 70.45 2gbt s THR 88 CO 0.17 0.44 0.53 0.00 -0.69 0.00 0.00 174.62 175.08 2gbt s ALA 89 N 1.26 3.58 0.94 7.40 0.00 -0.16 -4.09 121.76 130.69 2gbt s ALA 89 Ca 0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 51.96 51.93 2gbt s ALA 89 Cb -0.14 -2.61 0.03 0.00 0.00 0.00 0.00 23.12 20.41 2gbt s ALA 89 CO -0.12 0.34 0.20 -0.40 0.00 0.00 0.00 175.76 175.79 2gbt n ASP 90 N 2.09 0.04 0.29 0.00 5.68 -0.30 -1.48 116.55 122.87 2gbt n ASP 90 Ca -0.10 -1.09 0.17 0.00 -0.50 0.00 0.00 54.79 53.27 2gbt n ASP 90 Cb 0.51 -0.15 0.85 0.00 -1.14 0.00 0.00 41.12 41.19 2gbt n ASP 90 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 2gbt h LYS 91 N 0.00 0.00 -0.03 0.11 1.57 -1.97 -1.69 116.57 114.56 2gbt h LYS 91 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2gbt h LYS 91 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2gbt h LYS 91 CO 0.05 0.05 0.00 -0.25 -0.57 0.00 0.00 179.45 178.73 2gbt n ASP 92 N -3.33 1.66 0.00 0.86 8.00 -1.26 -4.90 116.55 117.57 2gbt n ASP 92 Ca -0.01 -1.56 0.00 0.00 0.71 0.00 0.00 54.79 53.92 2gbt n ASP 92 Cb 0.21 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 2gbt n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gbt n GLY 93 N 1.19 0.55 3.51 0.44 0.00 -0.63 -4.74 105.19 105.50 2gbt n GLY 93 Ca 0.18 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 2gbt n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gbt s VAL 94 N -2.00 4.33 -0.37 1.61 1.01 -1.26 -1.85 120.40 121.87 2gbt s VAL 94 Ca 0.00 -0.18 -0.09 0.00 0.00 0.00 0.00 61.98 61.71 2gbt s VAL 94 Cb 0.00 -2.97 0.04 0.00 0.00 0.00 0.00 36.38 33.45 2gbt s VAL 94 CO 0.00 0.42 0.17 0.00 0.00 0.00 0.00 175.10 175.69 2gbt s ALA 95 N 0.91 3.19 -0.09 5.51 0.00 0.73 -1.15 121.76 130.86 2gbt s ALA 95 Ca 0.03 -1.80 -0.27 0.00 0.00 0.00 0.00 51.96 49.92 2gbt s ALA 95 Cb -0.14 -2.47 -0.02 0.00 0.00 0.00 0.00 23.12 20.48 2gbt s ALA 95 CO 0.02 -1.41 0.86 -0.51 0.00 0.00 0.00 175.76 174.72 2gbt s ASP 96 N 1.57 7.11 -0.13 0.00 1.01 -1.26 -1.17 116.67 123.80 2gbt s ASP 96 Ca 0.01 1.35 -0.02 0.00 0.71 0.00 0.00 52.55 54.60 2gbt s ASP 96 Cb -0.20 -2.49 -0.03 0.00 1.01 0.00 0.00 42.92 41.22 2gbt s ASP 96 CO 0.04 -0.30 -0.06 -0.69 0.21 0.00 0.00 175.17 174.38 2gbt s VAL 97 N 1.50 3.72 -0.23 -1.27 1.01 0.96 -4.79 120.40 121.29 2gbt s VAL 97 Ca 0.43 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 61.95 2gbt s VAL 97 Cb -0.18 -2.59 0.12 0.00 0.00 0.00 0.00 36.38 33.72 2gbt s VAL 97 CO 0.19 0.53 0.30 -0.55 0.00 0.00 0.00 175.10 175.56 2gbt s SER 98 N 0.04 0.87 0.04 3.32 0.15 -1.26 -2.06 113.70 114.80 2gbt s SER 98 Ca -0.01 -0.07 0.03 0.00 0.70 0.00 0.00 55.95 56.59 2gbt s SER 98 Cb -0.14 0.74 -0.02 0.00 -1.71 0.00 0.00 66.02 64.89 2gbt s SER 98 CO 0.03 -0.32 -0.09 -0.63 1.20 0.00 0.00 173.24 173.43 2gbt s ILE 99 N 2.43 0.63 -0.06 6.45 1.01 0.83 -5.01 121.20 127.48 2gbt s ILE 99 Ca 0.10 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.83 2gbt s ILE 99 Cb -0.15 -0.65 0.01 0.00 0.01 0.00 0.00 42.46 41.68 2gbt s ILE 99 CO -0.16 -0.24 -0.12 -0.70 0.00 0.00 0.00 174.94 173.72 2gbt s GLU 100 N -1.30 1.61 -0.01 2.79 2.12 -1.26 -0.18 118.70 122.48 2gbt s GLU 100 Ca -0.06 -0.40 0.02 0.00 0.36 0.00 0.00 54.97 54.89 2gbt s GLU 100 Cb -0.08 -1.35 -0.00 0.00 0.26 0.00 0.00 34.13 32.95 2gbt s GLU 100 CO 0.01 0.05 -0.07 0.34 -0.54 0.00 0.00 175.26 175.04 2gbt s ASP 101 N 0.59 0.85 0.00 -1.70 2.15 -0.32 -4.97 116.67 113.28 2gbt s ASP 101 Ca -0.13 -0.13 0.11 0.00 0.43 0.00 0.00 52.55 52.84 2gbt s ASP 101 Cb -0.15 -0.11 0.23 0.00 -0.30 0.00 0.00 42.92 42.59 2gbt s ASP 101 CO 0.03 0.08 1.11 -1.20 -0.17 0.00 0.00 175.17 175.03 2gbt n SER 102 N 2.96 2.59 -0.12 -0.34 7.64 -1.26 -0.54 113.62 124.54 2gbt n SER 102 Ca -0.14 -1.80 -0.24 0.00 1.01 0.00 0.00 58.87 57.70 2gbt n SER 102 Cb 0.57 -0.15 -0.11 0.00 -1.01 0.00 0.00 64.21 63.51 2gbt n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2gbt n VAL 103 N 0.61 1.53 -1.50 0.44 0.31 -1.26 -4.91 118.33 113.55 2gbt n VAL 103 Ca 0.10 -0.44 -0.33 0.00 -0.01 0.00 0.00 64.34 63.66 2gbt n VAL 103 Cb 0.38 -1.72 0.08 0.00 -0.91 0.00 0.00 33.84 31.67 2gbt n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2gbt s ILE 104 N -2.50 2.95 0.05 2.52 -4.36 -1.26 -5.02 121.20 113.57 2gbt s ILE 104 Ca -0.36 0.41 -0.04 0.00 -0.26 0.00 0.00 60.65 60.41 2gbt s ILE 104 Cb 0.11 -2.89 -0.02 0.00 1.25 0.00 0.00 42.46 40.91 2gbt s ILE 104 CO 0.56 -0.31 0.05 -0.55 0.24 0.00 0.00 174.94 174.93 2gbt s SER 105 N -2.62 0.31 0.00 4.36 0.15 -1.26 -4.63 113.70 110.00 2gbt s SER 105 Ca 0.67 -0.76 0.25 0.00 0.70 0.00 0.00 55.95 56.82 2gbt s SER 105 Cb -0.22 0.23 0.49 0.00 -1.71 0.00 0.00 66.02 64.81 2gbt s SER 105 CO 0.46 -0.57 1.43 0.18 1.20 0.00 0.00 173.24 175.94 2gbt n LEU 106 N 0.39 2.33 -4.15 3.45 4.77 -1.26 -1.50 117.00 121.02 2gbt n LEU 106 Ca -0.16 -0.78 -0.12 0.00 -0.03 0.00 0.00 56.01 54.91 2gbt n LEU 106 Cb 0.60 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.60 2gbt n LEU 106 CO 0.25 0.39 -0.09 -0.94 -1.33 0.00 0.00 177.39 175.67 2gbt s SER 107 N -2.06 0.35 0.00 -1.43 1.04 -1.26 -4.67 113.70 105.67 2gbt s SER 107 Ca 0.31 -1.34 0.00 0.00 0.48 0.00 0.00 55.95 55.40 2gbt s SER 107 Cb 0.20 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.80 2gbt s SER 107 CO 0.34 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 174.19 2gbt n GLY 108 N -0.37 0.01 0.32 7.32 0.00 -1.26 -3.83 105.19 107.39 2gbt n GLY 108 Ca 0.02 -1.83 0.16 0.00 0.00 0.00 0.00 46.02 44.38 2gbt n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2gbt h ASP 109 N 0.00 0.00 -0.46 1.61 3.32 -2.01 -2.13 116.42 116.74 2gbt h ASP 109 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2gbt h ASP 109 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2gbt h ASP 109 CO 0.00 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.93 2gbt n HIS 110 N -3.79 0.96 -1.39 4.55 8.25 -1.26 -5.04 115.22 117.51 2gbt n HIS 110 Ca -0.00 -0.62 -0.38 0.00 -0.26 0.00 0.00 57.72 56.46 2gbt n HIS 110 Cb 0.23 -0.16 0.04 0.00 1.12 0.00 0.00 29.99 31.22 2gbt n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2gbt n ALA 111 N 0.58 -1.50 1.26 -1.41 0.00 -0.81 -4.71 120.51 113.93 2gbt n ALA 111 Ca 0.20 -0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.67 2gbt n ALA 111 Cb 0.71 -1.78 0.34 0.00 0.00 0.00 0.00 19.45 18.71 2gbt n ALA 111 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2gbt n ILE 112 N -1.86 0.00 -1.71 0.00 -5.35 -0.56 -4.89 119.36 104.99 2gbt n ILE 112 Ca 0.11 -0.22 -0.43 0.00 -0.27 0.00 0.00 62.75 61.94 2gbt n ILE 112 Cb 0.48 0.66 -0.03 0.00 -1.74 0.00 0.00 39.64 39.01 2gbt n ILE 112 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 2gbt n ILE 113 N -0.13 0.01 -0.72 7.28 2.08 -1.26 -1.68 119.36 124.94 2gbt n ILE 113 Ca 0.14 -0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.45 2gbt n ILE 113 Cb 0.39 -1.88 0.00 0.00 -0.75 0.00 0.00 39.64 37.40 2gbt n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2gbt n GLY 114 N 3.84 0.79 1.51 7.39 0.00 0.34 -5.01 105.19 114.06 2gbt n GLY 114 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 2gbt n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gbt n ARG 115 N -2.24 1.06 -5.19 1.61 1.74 -0.68 -2.44 116.66 110.53 2gbt n ARG 115 Ca 0.00 -1.31 -0.32 0.00 -0.77 0.00 0.00 57.85 55.45 2gbt n ARG 115 Cb 0.00 0.06 -0.17 0.00 -1.02 0.00 0.00 32.46 31.33 2gbt n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2gbt s THR 116 N -0.84 2.16 -0.15 0.55 2.01 -1.01 0.04 115.64 118.39 2gbt s THR 116 Ca 0.16 -1.00 -0.19 0.00 0.31 0.00 0.00 61.69 60.98 2gbt s THR 116 Cb -0.01 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 2gbt s THR 116 CO 0.10 0.56 0.51 -0.22 -0.69 0.00 0.00 174.62 174.88 2gbt s LEU 117 N 0.19 4.22 -0.04 4.42 2.96 -0.49 0.44 118.68 130.39 2gbt s LEU 117 Ca -0.14 0.77 0.05 0.00 -0.22 0.00 0.00 54.13 54.59 2gbt s LEU 117 Cb -0.17 -2.72 -0.01 0.00 0.50 0.00 0.00 46.19 43.80 2gbt s LEU 117 CO 0.07 -0.09 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.13 2gbt s VAL 118 N 1.10 1.57 -0.16 1.68 1.01 0.17 -1.93 120.40 123.83 2gbt s VAL 118 Ca 0.26 -0.80 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 2gbt s VAL 118 Cb -0.15 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 2gbt s VAL 118 CO 0.10 0.45 0.02 0.54 0.00 0.00 0.00 175.10 176.21 2gbt s VAL 119 N -0.08 4.41 0.23 2.92 0.11 -0.76 -1.76 120.40 125.48 2gbt s VAL 119 Ca -0.02 -0.17 0.06 0.00 -2.93 0.00 0.00 61.98 58.92 2gbt s VAL 119 Cb -0.11 -2.96 -0.03 0.00 -1.53 0.00 0.00 36.38 31.75 2gbt s VAL 119 CO 0.02 0.49 0.25 -1.00 -3.33 0.00 0.00 175.10 171.53 2gbt s HIS 120 N 0.25 3.25 0.15 1.54 3.76 0.10 -0.90 115.29 123.44 2gbt s HIS 120 Ca 0.01 -0.06 -0.17 0.00 -0.15 0.00 0.00 55.06 54.70 2gbt s HIS 120 Cb -0.13 -1.48 0.02 0.00 1.11 0.00 0.00 32.58 32.09 2gbt s HIS 120 CO 0.01 0.49 1.79 1.49 -0.85 0.00 0.00 174.74 177.68 2gbt h GLU 121 N 1.52 0.43 -6.09 1.40 4.81 -1.12 -3.34 114.58 112.19 2gbt h GLU 121 Ca -0.50 -0.03 -0.58 0.00 -0.13 0.00 0.00 59.36 58.13 2gbt h GLU 121 Cb 1.23 -0.10 -0.10 0.00 0.63 0.00 0.00 28.75 30.41 2gbt h GLU 121 CO 0.62 0.28 -0.63 0.15 -0.73 0.00 0.00 179.01 178.70 2gbt s LYS 122 N -6.16 2.11 0.29 1.92 1.02 -1.26 -4.81 119.74 112.85 2gbt s LYS 122 Ca -0.13 -1.66 -0.29 0.00 0.02 0.00 0.00 55.97 53.91 2gbt s LYS 122 Cb 0.11 -1.99 -0.10 0.00 -0.52 0.00 0.00 37.83 35.33 2gbt s LYS 122 CO 0.72 0.20 1.34 0.00 -0.92 0.00 0.00 175.35 176.69 2gbt s ALA 123 N -2.47 3.54 -0.58 5.17 0.00 -1.19 -1.10 121.76 125.14 2gbt s ALA 123 Ca 0.34 1.26 -0.28 0.00 0.00 0.00 0.00 51.96 53.28 2gbt s ALA 123 Cb -0.02 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.61 2gbt s ALA 123 CO 0.19 -0.65 1.42 0.16 0.00 0.00 0.00 175.76 176.88 2gbt s ASP 124 N -0.12 6.11 0.00 0.00 -4.77 -1.26 -4.80 116.67 111.82 2gbt s ASP 124 Ca 0.53 0.23 0.00 0.00 -3.30 0.00 0.00 52.55 50.01 2gbt s ASP 124 Cb -0.40 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 38.89 2gbt s ASP 124 CO 0.48 -1.74 0.00 -0.24 0.70 0.00 0.00 175.17 174.37 2gbt n SER 142 N 9.65 0.00 -4.56 2.11 2.88 -1.26 -5.10 113.62 117.34 2gbt n SER 142 Ca 0.12 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.26 2gbt n SER 142 Cb 0.49 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.85 2gbt n SER 142 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2gbt s ARG 143 N 0.00 3.72 -0.03 -1.46 0.52 -1.26 -0.51 118.95 119.93 2gbt s ARG 143 Ca 0.00 -0.35 -0.14 0.00 -0.52 0.00 0.00 55.73 54.72 2gbt s ARG 143 Cb 0.00 -3.75 -0.32 0.00 0.52 0.00 0.00 34.95 31.40 2gbt s ARG 143 CO 0.00 -0.39 0.78 -0.07 0.02 0.00 0.00 175.30 175.64 2gbt h LEU 144 N 8.59 0.66 -7.04 2.53 3.38 -1.33 -3.47 115.31 118.64 2gbt h LEU 144 Ca -0.32 -0.93 -0.03 0.00 0.09 0.00 0.00 57.88 56.70 2gbt h LEU 144 Cb 1.16 -0.22 -0.13 0.00 0.09 0.00 0.00 40.66 41.56 2gbt h LEU 144 CO 0.64 1.72 0.18 0.00 0.09 0.00 0.00 178.44 181.08 2gbt s ALA 145 N -2.56 -1.56 0.22 1.53 0.00 -1.18 -4.11 121.76 114.10 2gbt s ALA 145 Ca -0.14 0.54 -0.18 0.00 0.00 0.00 0.00 51.96 52.18 2gbt s ALA 145 Cb 0.04 0.76 0.02 0.00 0.00 0.00 0.00 23.12 23.95 2gbt s ALA 145 CO 0.87 -0.71 0.57 0.00 0.00 0.00 0.00 175.76 176.50 2gbt s GLY 147 N -2.90 -0.53 0.24 0.00 0.00 -0.82 -1.22 107.32 102.10 2gbt s GLY 147 Ca 0.11 1.87 -0.30 0.00 0.00 0.00 0.00 44.72 46.41 2gbt s GLY 147 CO 0.01 1.54 1.16 0.14 0.00 0.00 0.00 173.10 175.94 2gbt s VAL 148 N -0.05 3.47 -0.38 1.40 1.01 -1.26 -1.39 120.40 123.19 2gbt s VAL 148 Ca -0.03 1.36 -0.27 0.00 0.00 0.00 0.00 61.98 63.04 2gbt s VAL 148 Cb -0.04 -3.87 0.02 0.00 0.00 0.00 0.00 36.38 32.49 2gbt s VAL 148 CO 0.03 0.28 1.01 -0.63 0.00 0.00 0.00 175.10 175.79 2gbt s ILE 149 N -0.66 4.48 0.24 2.22 1.01 0.11 -4.47 121.20 124.13 2gbt s ILE 149 Ca 0.48 1.32 0.09 0.00 0.00 0.00 0.00 60.65 62.55 2gbt s ILE 149 Cb -0.33 -4.42 -0.04 0.00 0.01 0.00 0.00 42.46 37.68 2gbt s ILE 149 CO 0.40 -0.63 -0.04 -0.83 0.00 0.00 0.00 174.94 173.84 2gbt s GLY 150 N 1.96 1.69 0.09 6.18 0.00 0.50 -0.50 107.32 117.23 2gbt s GLY 150 Ca 0.42 -1.62 -0.31 0.00 0.00 0.00 0.00 44.72 43.22 2gbt s GLY 150 CO 0.21 -1.67 1.47 -0.42 0.00 0.00 0.00 173.10 172.69 2gbt s ILE 151 N -2.18 3.22 0.19 0.90 1.01 -1.26 -0.78 121.20 122.31 2gbt s ILE 151 Ca 0.30 0.80 0.08 0.00 0.00 0.00 0.00 60.65 61.82 2gbt s ILE 151 Cb -0.07 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 2gbt s ILE 151 CO 0.19 0.04 -0.00 0.00 0.00 0.00 0.00 174.94 175.16 2gbt s ALA 152 N 1.69 3.19 -2.00 9.38 0.00 -0.69 -4.82 121.76 128.51 2gbt s ALA 152 Ca 0.67 -1.42 0.16 0.00 0.00 0.00 0.00 51.96 51.38 2gbt s ALA 152 Cb -0.37 -0.95 0.98 0.00 0.00 0.00 0.00 23.12 22.78 2gbt s ALA 152 CO 0.30 0.44 1.39 0.94 0.00 0.00 0.00 175.76 178.83