#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gbu s LYS 3 N 0.00 0.50 0.30 -0.78 1.02 -1.26 -0.23 119.74 119.28 2gbu s LYS 3 Ca 0.00 -0.66 -0.07 0.00 0.02 0.00 0.00 55.97 55.26 2gbu s LYS 3 Cb 0.00 -0.29 -0.00 0.00 -0.52 0.00 0.00 37.83 37.02 2gbu s LYS 3 CO 0.00 0.05 0.45 0.00 -0.92 0.00 0.00 175.35 174.94 2gbu s ALA 4 N -1.19 0.38 -0.20 5.17 0.00 -0.22 -2.25 121.76 123.46 2gbu s ALA 4 Ca -0.08 -1.27 -0.21 0.00 0.00 0.00 0.00 51.96 50.39 2gbu s ALA 4 Cb -0.09 1.13 0.06 0.00 0.00 0.00 0.00 23.12 24.22 2gbu s ALA 4 CO 0.00 -0.80 0.59 0.54 0.00 0.00 0.00 175.76 176.09 2gbu s VAL 5 N -3.49 0.00 -0.10 0.00 0.11 0.13 -1.39 120.40 115.66 2gbu s VAL 5 Ca 0.28 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.31 2gbu s VAL 5 Cb 0.00 -0.83 0.02 0.00 -1.53 0.00 0.00 36.38 34.04 2gbu s VAL 5 CO 0.15 -0.01 -0.10 0.00 -3.33 0.00 0.00 175.10 171.81 2gbu s ALA 6 N 0.12 1.37 -0.37 1.54 0.00 0.09 -0.95 121.76 123.57 2gbu s ALA 6 Ca -0.01 -0.55 -0.17 0.00 0.00 0.00 0.00 51.96 51.22 2gbu s ALA 6 Cb -0.04 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.25 2gbu s ALA 6 CO 0.02 -0.27 0.44 0.08 0.00 0.00 0.00 175.76 176.02 2gbu s VAL 7 N 1.40 5.09 -0.09 0.00 1.01 -1.26 -0.97 120.40 125.58 2gbu s VAL 7 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 61.98 61.76 2gbu s VAL 7 Cb -0.13 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 2gbu s VAL 7 CO -0.05 -0.25 0.61 -0.76 0.00 0.00 0.00 175.10 174.64 2gbu s LEU 8 N 2.19 4.30 0.06 3.92 1.43 -0.40 -4.00 118.68 126.17 2gbu s LEU 8 Ca 0.14 1.04 -0.08 0.00 -1.03 0.00 0.00 54.13 54.20 2gbu s LEU 8 Cb -0.16 -2.92 -0.00 0.00 0.03 0.00 0.00 46.19 43.13 2gbu s LEU 8 CO 0.13 -0.07 0.17 -0.54 0.23 0.00 0.00 176.35 176.27 2gbu s LYS 9 N 0.72 0.73 0.00 1.70 1.02 0.15 -2.31 119.74 121.75 2gbu s LYS 9 Ca 0.33 -0.81 0.00 0.00 0.02 0.00 0.00 55.97 55.51 2gbu s LYS 9 Cb -0.17 0.30 0.00 0.00 -0.52 0.00 0.00 37.83 37.44 2gbu s LYS 9 CO 0.15 -0.21 0.00 0.41 -0.92 0.00 0.00 175.35 174.78 2gbu n GLY 10 N 0.37 2.76 0.14 -3.33 0.00 -1.25 -1.14 105.19 102.74 2gbu n GLY 10 Ca -0.17 -1.07 0.01 0.00 0.00 0.00 0.00 46.02 44.79 2gbu n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2gbu h ASP 11 N 0.00 0.00 -1.01 1.61 3.32 -1.91 -3.46 116.42 114.97 2gbu h ASP 11 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2gbu h ASP 11 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2gbu h ASP 11 CO 0.00 0.59 0.00 0.61 -1.72 0.00 0.00 179.24 178.72 2gbu n GLY 12 N 0.65 1.67 0.43 2.75 0.00 -1.26 -5.02 105.19 104.42 2gbu n GLY 12 Ca 0.00 -1.93 0.12 0.00 0.00 0.00 0.00 46.02 44.21 2gbu n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2gbu n PRO 13 N 0.00 1.58 -2.55 1.61 -0.04 -1.26 -4.89 135.00 129.45 2gbu n PRO 13 Ca 0.00 -0.86 -0.43 0.00 -0.04 0.00 0.00 63.50 62.17 2gbu n PRO 13 Cb 0.00 -1.43 -0.02 0.00 -0.04 0.00 0.00 33.50 32.01 2gbu n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2gbu s VAL 14 N -1.91 4.48 0.04 0.52 1.01 -1.26 -4.31 120.40 118.98 2gbu s VAL 14 Ca 0.35 1.79 -0.13 0.00 0.00 0.00 0.00 61.98 63.99 2gbu s VAL 14 Cb 0.19 -4.15 0.02 0.00 0.00 0.00 0.00 36.38 32.43 2gbu s VAL 14 CO 0.30 -0.10 0.29 0.00 0.00 0.00 0.00 175.10 175.58 2gbu s GLN 15 N 2.93 0.79 0.03 2.72 -2.07 -0.91 -3.84 119.66 119.31 2gbu s GLN 15 Ca 0.50 -0.53 -0.05 0.00 -1.82 0.00 0.00 55.36 53.46 2gbu s GLN 15 Cb -0.20 0.34 0.02 0.00 -1.09 0.00 0.00 33.01 32.08 2gbu s GLN 15 CO 0.14 -0.25 0.25 0.41 -1.32 0.00 0.00 175.29 174.51 2gbu n GLY 16 N 0.58 0.99 2.85 2.60 0.00 -0.98 -0.80 105.19 110.44 2gbu n GLY 16 Ca -0.19 -0.95 -0.17 0.00 0.00 0.00 0.00 46.02 44.72 2gbu n GLY 16 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gbu s ILE 17 N -2.37 -0.30 -0.19 -0.61 1.01 -0.73 -1.28 121.20 116.73 2gbu s ILE 17 Ca 0.06 0.23 -0.01 0.00 0.00 0.00 0.00 60.65 60.92 2gbu s ILE 17 Cb -0.01 -0.41 0.00 0.00 0.01 0.00 0.00 42.46 42.05 2gbu s ILE 17 CO 0.01 0.06 -0.13 -0.63 0.00 0.00 0.00 174.94 174.25 2gbu s ILE 18 N 2.32 2.77 0.00 2.92 -1.09 -0.14 -2.57 121.20 125.41 2gbu s ILE 18 Ca 0.03 -0.71 -0.07 0.00 -2.23 0.00 0.00 60.65 57.67 2gbu s ILE 18 Cb -0.13 -2.20 -0.05 0.00 -1.58 0.00 0.00 42.46 38.50 2gbu s ILE 18 CO -0.08 0.49 0.27 0.20 -1.23 0.00 0.00 174.94 174.59 2gbu s ASN 19 N 1.18 6.50 -0.04 3.58 -0.87 0.15 -0.73 114.94 124.70 2gbu s ASN 19 Ca 0.02 0.58 0.06 0.00 -1.57 0.00 0.00 52.86 51.95 2gbu s ASN 19 Cb -0.14 -2.10 -0.01 0.00 -0.02 0.00 0.00 41.25 38.98 2gbu s ASN 19 CO -0.05 0.26 -0.24 -0.36 -2.57 0.00 0.00 177.10 174.15 2gbu s PHE 20 N -1.28 2.26 -0.01 2.20 0.40 -0.49 -1.86 117.98 119.20 2gbu s PHE 20 Ca 0.27 -0.60 0.00 0.00 -0.60 0.00 0.00 56.93 56.00 2gbu s PHE 20 Cb -0.13 -1.48 0.02 0.00 0.51 0.00 0.00 43.02 41.93 2gbu s PHE 20 CO 0.15 -0.16 0.01 -2.00 0.70 0.00 0.00 175.22 173.92 2gbu s GLU 21 N -0.25 0.08 -0.32 0.44 2.12 -0.66 -1.05 118.70 119.06 2gbu s GLU 21 Ca 0.00 0.08 -0.02 0.00 0.36 0.00 0.00 54.97 55.39 2gbu s GLU 21 Cb -0.12 -0.23 0.12 0.00 0.26 0.00 0.00 34.13 34.15 2gbu s GLU 21 CO 0.02 -0.09 0.16 -1.14 -0.54 0.00 0.00 175.26 173.68 2gbu s GLN 22 N 0.63 0.43 0.22 4.30 0.74 0.68 -0.65 119.66 126.00 2gbu s GLN 22 Ca -0.06 -0.95 -0.01 0.00 0.05 0.00 0.00 55.36 54.39 2gbu s GLN 22 Cb -0.08 -1.36 0.20 0.00 1.10 0.00 0.00 33.01 32.87 2gbu s GLN 22 CO -0.02 -1.09 1.57 1.57 -0.55 0.00 0.00 175.29 176.78 2gbu h LYS 23 N 7.79 0.54 -6.21 1.67 2.10 -1.80 -3.40 116.57 117.27 2gbu h LYS 23 Ca -0.09 -0.29 -0.68 0.00 -2.00 0.00 0.00 60.65 57.59 2gbu h LYS 23 Cb 0.99 0.01 -0.17 0.00 -0.90 0.00 0.00 32.23 32.17 2gbu h LYS 23 CO 0.38 0.88 -0.68 -1.21 -2.00 0.00 0.00 179.45 176.82 2gbu s GLU 24 N -4.16 2.68 0.21 0.07 8.01 -1.26 -5.05 118.70 119.19 2gbu s GLU 24 Ca -0.07 -0.64 -0.11 0.00 0.01 0.00 0.00 54.97 54.16 2gbu s GLU 24 Cb 0.12 -2.58 0.28 0.00 -4.31 0.00 0.00 34.13 27.64 2gbu s GLU 24 CO 0.83 0.63 1.68 1.03 0.01 0.00 0.00 175.26 179.44 2gbu h SER 25 N 4.69 -0.14 -0.21 -0.19 0.87 -1.98 -2.04 113.55 114.54 2gbu h SER 25 Ca -0.49 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 2gbu h SER 25 Cb 1.17 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 2gbu h SER 25 CO 0.54 -0.05 0.00 -3.20 -0.53 0.00 0.00 176.83 173.59 2gbu n ASN 26 N -5.21 2.87 -2.63 6.23 2.85 -1.26 -4.79 115.26 113.33 2gbu n ASN 26 Ca 0.08 -2.33 -0.08 0.00 -0.11 0.00 0.00 54.58 52.14 2gbu n ASN 26 Cb 0.33 -0.27 0.06 0.00 1.24 0.00 0.00 39.78 41.14 2gbu n ASN 26 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2gbu n GLY 27 N -0.14 -0.68 3.78 8.20 0.00 -0.77 -5.05 105.19 110.53 2gbu n GLY 27 Ca 0.12 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.04 2gbu n GLY 27 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2gbu s PRO 28 N -3.69 2.88 -0.17 1.61 0.02 -1.26 -4.92 135.00 129.47 2gbu s PRO 28 Ca 0.22 1.30 -0.03 0.00 0.02 0.00 0.00 61.00 62.51 2gbu s PRO 28 Cb -0.01 -1.97 -0.02 0.00 0.02 0.00 0.00 34.50 32.53 2gbu s PRO 28 CO 0.15 -1.18 -0.06 0.08 -0.33 0.00 0.00 177.00 175.67 2gbu s VAL 29 N -2.46 3.58 -0.07 3.83 1.01 0.49 -4.50 120.40 122.29 2gbu s VAL 29 Ca 0.65 -0.46 -0.23 0.00 0.00 0.00 0.00 61.98 61.94 2gbu s VAL 29 Cb -0.19 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 2gbu s VAL 29 CO 0.42 0.48 0.70 -0.54 0.00 0.00 0.00 175.10 176.16 2gbu s LYS 30 N 0.68 4.43 -0.21 2.72 1.02 0.17 -1.17 119.74 127.38 2gbu s LYS 30 Ca -0.03 0.87 -0.01 0.00 0.02 0.00 0.00 55.97 56.82 2gbu s LYS 30 Cb -0.15 -3.45 0.02 0.00 -0.52 0.00 0.00 37.83 33.73 2gbu s LYS 30 CO 0.02 0.05 -0.12 0.08 -0.92 0.00 0.00 175.35 174.46 2gbu s VAL 31 N 0.84 2.59 0.06 3.17 1.01 0.14 -1.65 120.40 126.57 2gbu s VAL 31 Ca 0.37 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 61.40 2gbu s VAL 31 Cb -0.18 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 2gbu s VAL 31 CO 0.18 0.40 0.13 -1.66 0.00 0.00 0.00 175.10 174.15 2gbu s TRP 32 N 1.34 0.20 -3.73 5.22 -2.14 -0.78 0.23 118.94 119.28 2gbu s TRP 32 Ca 0.03 -0.57 0.00 0.00 2.66 0.00 0.00 56.10 58.22 2gbu s TRP 32 Cb -0.15 -0.12 0.00 0.00 -3.10 0.00 0.00 33.47 30.10 2gbu s TRP 32 CO -0.08 -0.45 0.00 0.41 -2.66 0.00 0.00 176.95 174.17 2gbu n GLY 33 N 0.33 -0.52 2.89 3.67 0.00 -0.78 0.29 105.19 111.07 2gbu n GLY 33 Ca -0.17 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 2gbu n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gbu s SER 34 N -4.00 -0.02 -0.02 1.61 0.15 -1.06 -0.52 113.70 109.84 2gbu s SER 34 Ca 0.00 0.05 0.05 0.00 0.70 0.00 0.00 55.95 56.74 2gbu s SER 34 Cb 0.00 0.04 -0.01 0.00 -1.71 0.00 0.00 66.02 64.34 2gbu s SER 34 CO 0.00 -0.02 -0.16 -0.63 1.20 0.00 0.00 173.24 173.64 2gbu s ILE 35 N 0.08 1.28 0.32 6.45 1.01 -0.25 -1.78 121.20 128.31 2gbu s ILE 35 Ca -0.01 -0.67 0.05 0.00 0.00 0.00 0.00 60.65 60.02 2gbu s ILE 35 Cb -0.01 -1.08 -0.06 0.00 0.01 0.00 0.00 42.46 41.32 2gbu s ILE 35 CO -0.00 0.37 0.03 -1.59 0.00 0.00 0.00 174.94 173.74 2gbu s LYS 36 N -0.20 1.66 0.00 2.79 -2.85 0.02 -0.15 119.74 121.01 2gbu s LYS 36 Ca 0.02 -1.91 0.00 0.00 -1.00 0.00 0.00 55.97 53.09 2gbu s LYS 36 Cb -0.08 -1.00 0.00 0.00 -2.06 0.00 0.00 37.83 34.69 2gbu s LYS 36 CO 0.00 -0.13 0.00 0.41 0.10 0.00 0.00 175.35 175.73 2gbu n GLY 37 N -0.69 0.49 3.89 0.59 0.00 -0.97 -2.14 105.19 106.36 2gbu n GLY 37 Ca -0.03 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 2gbu n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gbu s LEU 38 N 0.00 4.24 0.54 0.99 1.43 -0.61 -4.22 118.68 121.04 2gbu s LEU 38 Ca 0.00 0.73 -0.20 0.00 -1.03 0.00 0.00 54.13 53.63 2gbu s LEU 38 Cb 0.00 -3.43 -0.05 0.00 0.03 0.00 0.00 46.19 42.73 2gbu s LEU 38 CO 0.00 0.01 1.19 0.42 0.23 0.00 0.00 176.35 178.20 2gbu s THR 39 N -1.70 2.85 0.24 5.49 -4.23 -1.26 -4.00 115.64 113.02 2gbu s THR 39 Ca 0.43 0.57 -0.31 0.00 -1.18 0.00 0.00 61.69 61.20 2gbu s THR 39 Cb -0.12 -3.26 -0.11 0.00 1.34 0.00 0.00 72.50 70.36 2gbu s THR 39 CO 0.23 -0.07 1.55 -0.70 -0.54 0.00 0.00 174.62 175.08 2gbu s GLU 40 N -3.09 4.20 0.00 3.99 2.12 -1.26 -4.61 118.70 120.05 2gbu s GLU 40 Ca 0.72 2.43 0.00 0.00 0.36 0.00 0.00 54.97 58.47 2gbu s GLU 40 Cb -0.29 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.01 2gbu s GLU 40 CO 0.33 -0.56 0.00 0.41 -0.54 0.00 0.00 175.26 174.90 2gbu n GLY 41 N 2.78 0.51 3.78 -1.50 0.00 -0.54 -4.94 105.19 105.28 2gbu n GLY 41 Ca 0.10 -2.25 -0.39 0.00 0.00 0.00 0.00 46.02 43.48 2gbu n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gbu s LEU 42 N 0.00 4.51 -0.07 0.99 1.43 -1.26 -0.79 118.68 123.49 2gbu s LEU 42 Ca 0.00 1.40 -0.00 0.00 -1.03 0.00 0.00 54.13 54.49 2gbu s LEU 42 Cb 0.00 -3.09 0.02 0.00 0.03 0.00 0.00 46.19 43.16 2gbu s LEU 42 CO 0.00 0.17 -0.03 -1.00 0.23 0.00 0.00 176.35 175.72 2gbu s HIS 43 N -0.72 0.85 0.27 0.29 3.76 0.46 -2.43 115.29 117.77 2gbu s HIS 43 Ca 0.33 -0.28 -0.29 0.00 -0.15 0.00 0.00 55.06 54.67 2gbu s HIS 43 Cb -0.21 -0.82 -0.14 0.00 1.11 0.00 0.00 32.58 32.53 2gbu s HIS 43 CO 0.22 -0.30 1.19 0.41 -0.85 0.00 0.00 174.74 175.40 2gbu n GLY 44 N 4.65 0.21 2.81 -2.22 0.00 -0.28 -0.66 105.19 109.70 2gbu n GLY 44 Ca -0.15 0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 2gbu n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2gbu s PHE 45 N -0.72 1.57 -0.00 1.61 5.36 -0.10 -0.25 117.98 125.44 2gbu s PHE 45 Ca 0.62 -1.26 0.01 0.00 -0.96 0.00 0.00 56.93 55.34 2gbu s PHE 45 Cb -0.68 -1.29 0.00 0.00 -0.34 0.00 0.00 43.02 40.71 2gbu s PHE 45 CO 0.57 -0.69 -0.02 -1.01 -1.46 0.00 0.00 175.22 172.61 2gbu s HIS 46 N 1.67 0.21 -0.13 10.12 3.76 -0.51 -2.10 115.29 128.32 2gbu s HIS 46 Ca -0.02 -0.03 -0.24 0.00 -0.15 0.00 0.00 55.06 54.62 2gbu s HIS 46 Cb -0.18 -0.16 -0.02 0.00 1.11 0.00 0.00 32.58 33.33 2gbu s HIS 46 CO -0.09 -0.02 0.77 0.08 -0.85 0.00 0.00 174.74 174.64 2gbu s VAL 47 N 0.06 4.95 0.19 -0.90 1.01 -0.15 -0.78 120.40 124.78 2gbu s VAL 47 Ca -0.00 1.54 0.06 0.00 0.00 0.00 0.00 61.98 63.58 2gbu s VAL 47 Cb -0.02 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 2gbu s VAL 47 CO -0.00 0.11 0.10 -1.00 0.00 0.00 0.00 175.10 174.31 2gbu s HIS 48 N 1.63 3.03 0.11 5.22 3.76 0.73 -0.70 115.29 129.08 2gbu s HIS 48 Ca 0.38 -0.08 -0.16 0.00 -0.15 0.00 0.00 55.06 55.05 2gbu s HIS 48 Cb -0.17 -1.43 -0.04 0.00 1.11 0.00 0.00 32.58 32.05 2gbu s HIS 48 CO 0.15 0.53 1.55 1.49 -0.85 0.00 0.00 174.74 177.60 2gbu h GLU 49 N 2.26 0.64 -5.75 1.40 4.81 -0.89 -2.16 114.58 114.89 2gbu h GLU 49 Ca -0.47 -0.21 -0.65 0.00 -0.13 0.00 0.00 59.36 57.90 2gbu h GLU 49 Cb 1.21 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 30.47 2gbu h GLU 49 CO 0.61 0.76 -0.39 -0.06 -0.73 0.00 0.00 179.01 179.20 2gbu s PHE 50 N -4.96 3.64 -0.27 0.92 0.08 -0.08 -4.57 117.98 112.74 2gbu s PHE 50 Ca -0.13 0.68 -0.03 0.00 0.12 0.00 0.00 56.93 57.57 2gbu s PHE 50 Cb 0.09 -2.06 0.02 0.00 -0.57 0.00 0.00 43.02 40.51 2gbu s PHE 50 CO 0.78 0.70 2.68 0.41 -0.10 0.00 0.00 175.22 179.69 2gbu n GLY 51 N 1.97 3.81 3.25 4.36 0.00 -0.98 -3.24 105.19 114.34 2gbu n GLY 51 Ca -0.18 -1.34 -0.38 0.00 0.00 0.00 0.00 46.02 44.12 2gbu n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gbu s ASP 52 N 0.83 5.37 -0.12 1.61 -1.08 -1.26 -4.94 116.67 117.07 2gbu s ASP 52 Ca 0.47 -1.36 0.16 0.00 -0.52 0.00 0.00 52.55 51.30 2gbu s ASP 52 Cb 0.29 -1.89 0.62 0.00 -1.46 0.00 0.00 42.92 40.49 2gbu s ASP 52 CO -0.09 -0.41 1.53 -3.20 0.52 0.00 0.00 175.17 173.52 2gbu n ASN 53 N 4.80 4.37 -0.22 -0.34 4.05 -1.26 -2.56 115.26 124.10 2gbu n ASN 53 Ca -0.11 -2.57 -0.02 0.00 0.45 0.00 0.00 54.58 52.34 2gbu n ASN 53 Cb 0.44 -0.53 0.18 0.00 1.23 0.00 0.00 39.78 41.10 2gbu n ASN 53 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 2gbu h THR 54 N 3.19 1.22 -0.83 -0.44 1.35 -1.93 -1.28 112.91 114.19 2gbu h THR 54 Ca 0.00 -0.59 -0.57 0.00 -0.55 0.00 0.00 66.41 64.70 2gbu h THR 54 Cb 1.39 0.27 -0.34 0.00 -1.73 0.00 0.00 68.15 67.75 2gbu h THR 54 CO 0.22 0.26 0.02 0.00 -0.25 0.00 0.00 175.52 175.76 2gbu n ALA 55 N -2.43 5.55 -0.57 6.62 0.00 -1.26 -5.07 120.51 123.35 2gbu n ALA 55 Ca 0.07 -3.58 0.00 0.00 0.00 0.00 0.00 53.44 49.93 2gbu n ALA 55 Cb 0.12 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2gbu n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gbu n GLY 56 N -0.85 0.41 0.27 0.00 0.00 -0.49 -3.24 105.19 101.29 2gbu n GLY 56 Ca 0.52 -0.83 0.13 0.00 0.00 0.00 0.00 46.02 45.85 2gbu n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gbu h ALA 57 N -0.57 1.26 -0.41 4.61 0.00 -1.88 -3.06 119.26 119.20 2gbu h ALA 57 Ca 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.83 2gbu h ALA 57 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2gbu h ALA 57 CO 0.00 0.13 0.27 1.15 0.00 0.00 0.00 179.25 180.81 2gbu h THR 58 N 0.00 1.07 -0.00 0.00 2.02 -1.88 -2.54 112.91 111.57 2gbu h THR 58 Ca -0.00 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.00 2gbu h THR 58 Cb 0.33 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 2gbu h THR 58 CO 0.01 0.09 -0.17 -1.54 0.37 0.00 0.00 175.52 174.29 2gbu n SER 59 N -4.48 0.55 0.18 4.18 3.41 -1.16 -3.42 113.62 112.89 2gbu n SER 59 Ca 0.04 -0.52 0.13 0.00 -0.26 0.00 0.00 58.87 58.26 2gbu n SER 59 Cb 0.10 -0.03 0.64 0.00 -0.26 0.00 0.00 64.21 64.65 2gbu n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gbu h ALA 60 N 3.52 1.00 -0.33 7.33 0.00 -1.17 -3.39 119.26 126.22 2gbu h ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2gbu h ALA 60 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2gbu h ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2gbu n GLY 61 N -0.73 -0.64 3.07 0.00 0.00 -1.22 -0.90 105.19 104.77 2gbu n GLY 61 Ca -0.00 -1.14 -0.23 0.00 0.00 0.00 0.00 46.02 44.66 2gbu n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2gbu n PRO 62 N 0.00 -0.88 -1.68 1.61 -0.04 -1.26 -4.63 135.00 128.11 2gbu n PRO 62 Ca 0.00 -1.71 -0.44 0.00 -0.04 0.00 0.00 63.50 61.31 2gbu n PRO 62 Cb 0.00 -1.01 -0.03 0.00 -0.04 0.00 0.00 33.50 32.42 2gbu n PRO 62 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2gbu n HIS 63 N -3.33 2.33 -1.94 0.54 8.25 -1.26 -0.94 115.22 118.87 2gbu n HIS 63 Ca 0.13 0.34 -0.42 0.00 -0.26 0.00 0.00 57.72 57.51 2gbu n HIS 63 Cb 0.46 -2.51 -0.03 0.00 1.12 0.00 0.00 29.99 29.03 2gbu n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2gbu s PHE 64 N 0.27 1.82 -0.44 4.41 5.36 0.12 -4.59 117.98 124.92 2gbu s PHE 64 Ca 0.71 0.11 0.07 0.00 -0.96 0.00 0.00 56.93 56.85 2gbu s PHE 64 Cb -0.63 -3.99 0.26 0.00 -0.34 0.00 0.00 43.02 38.33 2gbu s PHE 64 CO 0.45 -4.12 0.78 -1.71 -1.46 0.00 0.00 175.22 169.16 2gbu n ASN 65 N 7.52 -1.46 0.00 6.13 4.05 -1.26 -2.01 115.26 128.22 2gbu n ASN 65 Ca 0.18 -3.12 0.06 0.00 0.45 0.00 0.00 54.58 52.15 2gbu n ASN 65 Cb 0.43 0.79 0.35 0.00 1.23 0.00 0.00 39.78 42.58 2gbu n ASN 65 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 2gbu n PRO 66 N 1.29 0.29 0.00 1.20 -0.04 -1.26 -4.99 135.00 131.48 2gbu n PRO 66 Ca 0.14 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 2gbu n PRO 66 Cb 0.61 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 2gbu n PRO 66 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2gbu n ARG 79 N -1.15 -0.32 -0.83 0.54 1.74 -1.26 -5.19 116.66 110.18 2gbu n ARG 79 Ca 0.08 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.84 2gbu n ARG 79 Cb 0.07 -0.54 0.15 0.00 -1.02 0.00 0.00 32.46 31.12 2gbu n ARG 79 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2gbu s HIS 80 N 0.00 1.68 0.17 -1.55 3.76 -1.26 -4.92 115.29 113.17 2gbu s HIS 80 Ca 0.00 1.76 -0.12 0.00 -0.15 0.00 0.00 55.06 56.54 2gbu s HIS 80 Cb 0.00 -3.39 0.07 0.00 1.11 0.00 0.00 32.58 30.37 2gbu s HIS 80 CO 0.00 -2.82 1.74 0.28 -0.85 0.00 0.00 174.74 173.09 2gbu h VAL 81 N -1.56 1.22 0.00 -0.90 2.07 -1.91 -2.75 116.25 112.41 2gbu h VAL 81 Ca -0.44 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.43 2gbu h VAL 81 Cb 1.28 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 2gbu h VAL 81 CO 0.43 0.26 0.00 0.61 0.02 0.00 0.00 177.57 178.89 2gbu n GLY 82 N -0.87 -0.80 3.53 2.17 0.00 -0.85 -4.36 105.19 104.01 2gbu n GLY 82 Ca 0.03 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 2gbu n GLY 82 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gbu s ASP 83 N -2.12 6.50 -0.09 1.61 -1.08 -1.04 -0.97 116.67 119.48 2gbu s ASP 83 Ca 0.33 -1.51 0.12 0.00 -0.52 0.00 0.00 52.55 50.97 2gbu s ASP 83 Cb 0.16 -2.52 0.48 0.00 -1.46 0.00 0.00 42.92 39.58 2gbu s ASP 83 CO 0.29 -1.42 1.33 0.18 0.52 0.00 0.00 175.17 176.06 2gbu n LEU 84 N 8.32 3.40 0.00 -1.34 4.77 -0.89 -4.93 117.00 126.34 2gbu n LEU 84 Ca 0.27 -1.72 0.00 0.00 -0.03 0.00 0.00 56.01 54.54 2gbu n LEU 84 Cb 0.50 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2gbu n LEU 84 CO 0.63 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.86 2gbu n GLY 85 N 0.79 0.32 3.50 -0.72 0.00 -1.23 -4.83 105.19 103.01 2gbu n GLY 85 Ca 0.17 -0.79 -0.24 0.00 0.00 0.00 0.00 46.02 45.16 2gbu n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2gbu s ASN 86 N -4.00 3.46 0.16 1.61 0.01 -1.26 -0.93 114.94 114.00 2gbu s ASN 86 Ca 0.00 -1.15 0.08 0.00 -0.71 0.00 0.00 52.86 51.08 2gbu s ASN 86 Cb 0.00 -0.29 -0.04 0.00 0.41 0.00 0.00 41.25 41.32 2gbu s ASN 86 CO 0.00 -0.17 -0.07 0.68 -1.51 0.00 0.00 177.10 176.03 2gbu s VAL 87 N -2.68 3.38 -0.18 1.60 -7.23 0.17 -4.84 120.40 110.62 2gbu s VAL 87 Ca 0.31 -1.52 0.01 0.00 -1.81 0.00 0.00 61.98 58.97 2gbu s VAL 87 Cb 0.01 -2.67 0.02 0.00 0.56 0.00 0.00 36.38 34.30 2gbu s VAL 87 CO 0.15 -0.07 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.79 2gbu s THR 88 N -1.62 2.12 0.12 5.32 2.01 -1.26 -0.40 115.64 121.92 2gbu s THR 88 Ca 0.25 -0.94 -0.23 0.00 0.31 0.00 0.00 61.69 61.08 2gbu s THR 88 Cb -0.09 -1.90 -0.07 0.00 0.01 0.00 0.00 72.50 70.45 2gbu s THR 88 CO 0.16 0.52 0.70 0.00 -0.69 0.00 0.00 174.62 175.31 2gbu s ALA 89 N 1.29 3.49 0.72 7.40 0.00 0.03 -4.17 121.76 130.53 2gbu s ALA 89 Ca 0.05 0.24 -0.01 0.00 0.00 0.00 0.00 51.96 52.24 2gbu s ALA 89 Cb -0.13 -2.85 0.02 0.00 0.00 0.00 0.00 23.12 20.16 2gbu s ALA 89 CO -0.12 0.30 0.11 -0.40 0.00 0.00 0.00 175.76 175.65 2gbu n ASP 90 N 1.77 0.07 0.14 0.00 5.68 -0.53 -1.47 116.55 122.21 2gbu n ASP 90 Ca -0.07 -1.08 0.16 0.00 -0.50 0.00 0.00 54.79 53.31 2gbu n ASP 90 Cb 0.50 -0.08 0.73 0.00 -1.14 0.00 0.00 41.12 41.12 2gbu n ASP 90 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2gbu h LYS 91 N 0.00 0.00 -0.03 0.11 2.10 -1.97 -0.89 116.57 115.89 2gbu h LYS 91 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 2gbu h LYS 91 Cb 0.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 2gbu h LYS 91 CO 0.03 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.23 2gbu n ASP 92 N -4.20 1.33 -0.12 7.07 8.00 -1.26 -4.89 116.55 122.47 2gbu n ASP 92 Ca 0.04 -1.46 -0.02 0.00 0.71 0.00 0.00 54.79 54.06 2gbu n ASP 92 Cb 0.38 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.47 2gbu n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gbu n GLY 93 N 1.15 0.52 3.53 0.44 0.00 -0.34 -4.70 105.19 105.79 2gbu n GLY 93 Ca 0.19 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 2gbu n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gbu s VAL 94 N -2.04 4.13 -0.31 1.61 1.01 -1.26 -1.57 120.40 121.97 2gbu s VAL 94 Ca 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 2gbu s VAL 94 Cb 0.00 -2.83 0.05 0.00 0.00 0.00 0.00 36.38 33.60 2gbu s VAL 94 CO 0.00 0.48 0.02 0.00 0.00 0.00 0.00 175.10 175.60 2gbu s ALA 95 N 0.37 2.85 -0.33 5.51 0.00 0.79 -1.45 121.76 129.50 2gbu s ALA 95 Ca -0.02 -1.75 -0.28 0.00 0.00 0.00 0.00 51.96 49.91 2gbu s ALA 95 Cb -0.14 -1.99 0.02 0.00 0.00 0.00 0.00 23.12 21.01 2gbu s ALA 95 CO 0.02 -1.27 1.02 -0.51 0.00 0.00 0.00 175.76 175.02 2gbu s ASP 96 N 1.28 6.85 -0.15 0.00 1.01 -1.26 -1.09 116.67 123.31 2gbu s ASP 96 Ca -0.04 0.91 -0.14 0.00 0.71 0.00 0.00 52.55 53.99 2gbu s ASP 96 Cb -0.20 -2.51 -0.05 0.00 1.01 0.00 0.00 42.92 41.17 2gbu s ASP 96 CO -0.00 -0.86 0.29 -0.69 0.21 0.00 0.00 175.17 174.12 2gbu s VAL 97 N 3.57 5.30 -0.23 -1.27 1.01 0.32 -4.87 120.40 124.23 2gbu s VAL 97 Ca 0.43 0.55 -0.03 0.00 0.00 0.00 0.00 61.98 62.93 2gbu s VAL 97 Cb -0.12 -3.63 0.11 0.00 0.00 0.00 0.00 36.38 32.75 2gbu s VAL 97 CO 0.16 0.41 0.30 -0.55 0.00 0.00 0.00 175.10 175.41 2gbu s SER 98 N 0.33 0.92 0.03 3.32 0.15 -1.25 -1.87 113.70 115.32 2gbu s SER 98 Ca 0.17 -0.09 0.03 0.00 0.70 0.00 0.00 55.95 56.76 2gbu s SER 98 Cb -0.13 0.71 -0.02 0.00 -1.71 0.00 0.00 66.02 64.87 2gbu s SER 98 CO 0.04 -0.32 -0.09 -0.63 1.20 0.00 0.00 173.24 173.44 2gbu s ILE 99 N 2.42 0.68 -0.17 6.45 1.01 0.14 -5.00 121.20 126.72 2gbu s ILE 99 Ca 0.10 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 59.95 2gbu s ILE 99 Cb -0.15 -0.66 0.02 0.00 0.01 0.00 0.00 42.46 41.68 2gbu s ILE 99 CO -0.16 -0.12 -0.18 -0.70 0.00 0.00 0.00 174.94 173.79 2gbu s GLU 100 N -1.02 2.73 -0.07 2.79 2.12 -1.26 0.27 118.70 124.25 2gbu s GLU 100 Ca -0.03 -0.77 0.05 0.00 0.36 0.00 0.00 54.97 54.57 2gbu s GLU 100 Cb -0.07 -2.44 -0.01 0.00 0.26 0.00 0.00 34.13 31.86 2gbu s GLU 100 CO 0.00 -0.24 -0.22 0.34 -0.54 0.00 0.00 175.26 174.61 2gbu s ASP 101 N 1.34 3.33 0.00 -1.70 2.15 -0.32 -4.96 116.67 116.51 2gbu s ASP 101 Ca 0.04 -0.45 0.22 0.00 0.43 0.00 0.00 52.55 52.79 2gbu s ASP 101 Cb -0.13 -1.04 0.13 0.00 -0.30 0.00 0.00 42.92 41.58 2gbu s ASP 101 CO -0.12 0.23 1.17 -1.54 -0.17 0.00 0.00 175.17 174.74 2gbu n SER 102 N 3.04 2.65 -0.13 -0.34 3.41 -1.26 -0.38 113.62 120.61 2gbu n SER 102 Ca -0.18 -1.82 -0.17 0.00 -0.26 0.00 0.00 58.87 56.44 2gbu n SER 102 Cb 0.52 0.12 -0.12 0.00 -0.26 0.00 0.00 64.21 64.47 2gbu n SER 102 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2gbu n VAL 103 N 0.94 1.46 -1.52 -3.33 0.31 -1.26 -4.81 118.33 110.12 2gbu n VAL 103 Ca 0.12 -0.58 -0.31 0.00 -0.01 0.00 0.00 64.34 63.56 2gbu n VAL 103 Cb 0.53 -1.34 0.06 0.00 -0.91 0.00 0.00 33.84 32.18 2gbu n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2gbu s ILE 104 N -2.51 3.80 0.09 2.52 -4.36 -1.26 -4.98 121.20 114.51 2gbu s ILE 104 Ca -0.33 0.59 -0.06 0.00 -0.26 0.00 0.00 60.65 60.59 2gbu s ILE 104 Cb 0.09 -3.29 -0.02 0.00 1.25 0.00 0.00 42.46 40.49 2gbu s ILE 104 CO 0.61 -0.77 0.13 -0.55 0.24 0.00 0.00 174.94 174.61 2gbu s SER 105 N -3.75 0.22 0.00 4.36 0.15 -1.11 -4.59 113.70 108.97 2gbu s SER 105 Ca 0.59 -0.81 0.24 0.00 0.70 0.00 0.00 55.95 56.66 2gbu s SER 105 Cb -0.14 0.31 0.20 0.00 -1.71 0.00 0.00 66.02 64.67 2gbu s SER 105 CO 0.55 -0.72 1.21 0.18 1.20 0.00 0.00 173.24 175.66 2gbu n LEU 106 N -0.04 1.50 -4.32 3.45 4.77 -1.26 -1.52 117.00 119.59 2gbu n LEU 106 Ca -0.13 -0.54 -0.17 0.00 -0.03 0.00 0.00 56.01 55.15 2gbu n LEU 106 Cb 0.62 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.56 2gbu n LEU 106 CO 0.25 0.29 -0.25 -0.94 -1.33 0.00 0.00 177.39 175.41 2gbu s SER 107 N -2.60 1.20 0.20 -1.43 1.04 -1.26 -4.62 113.70 106.23 2gbu s SER 107 Ca 0.18 -1.41 0.00 0.00 0.48 0.00 0.00 55.95 55.20 2gbu s SER 107 Cb 0.18 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.51 2gbu s SER 107 CO 0.61 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.68 2gbu n GLY 108 N -0.47 -0.83 0.16 7.32 0.00 -1.26 -3.18 105.19 106.93 2gbu n GLY 108 Ca 0.00 -1.17 -0.04 0.00 0.00 0.00 0.00 46.02 44.81 2gbu n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2gbu h ASP 109 N 1.62 0.20 -0.14 1.61 3.32 -1.99 -2.91 116.42 118.12 2gbu h ASP 109 Ca 0.00 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.93 2gbu h ASP 109 Cb 0.00 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.49 2gbu h ASP 109 CO 0.00 0.76 0.00 1.41 -1.72 0.00 0.00 179.24 179.69 2gbu n HIS 110 N -3.85 0.35 -2.07 4.55 8.25 -1.26 -4.93 115.22 116.26 2gbu n HIS 110 Ca -0.02 -0.14 -0.42 0.00 -0.26 0.00 0.00 57.72 56.88 2gbu n HIS 110 Cb 0.62 -0.10 -0.03 0.00 1.12 0.00 0.00 29.99 31.59 2gbu n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2gbu s ALA 111 N -1.57 3.67 -2.52 -1.41 0.00 -1.10 -2.76 121.76 116.06 2gbu s ALA 111 Ca 0.12 1.20 0.23 0.00 0.00 0.00 0.00 51.96 53.51 2gbu s ALA 111 Cb 0.08 -3.59 0.43 0.00 0.00 0.00 0.00 23.12 20.04 2gbu s ALA 111 CO 0.05 -0.74 1.40 0.44 0.00 0.00 0.00 175.76 176.92 2gbu n ILE 112 N 4.07 0.44 -1.98 0.00 -5.35 -0.58 -4.90 119.36 111.06 2gbu n ILE 112 Ca 0.13 -0.70 -0.42 0.00 -0.27 0.00 0.00 62.75 61.49 2gbu n ILE 112 Cb 0.41 0.99 -0.03 0.00 -1.74 0.00 0.00 39.64 39.28 2gbu n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2gbu s ILE 113 N -1.56 2.66 0.00 7.28 -1.09 -1.26 -2.22 121.20 125.01 2gbu s ILE 113 Ca 0.38 0.51 0.00 0.00 -2.23 0.00 0.00 60.65 59.31 2gbu s ILE 113 Cb 0.22 -3.33 0.00 0.00 -1.58 0.00 0.00 42.46 37.77 2gbu s ILE 113 CO 0.31 0.06 0.00 0.61 -1.23 0.00 0.00 174.94 174.70 2gbu n GLY 114 N 2.91 0.92 1.11 6.18 0.00 0.11 -5.01 105.19 111.41 2gbu n GLY 114 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 2gbu n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gbu n ARG 115 N -2.05 0.90 -4.95 1.61 1.74 -0.94 -2.33 116.66 110.65 2gbu n ARG 115 Ca 0.00 -0.89 -0.33 0.00 -0.77 0.00 0.00 57.85 55.86 2gbu n ARG 115 Cb 0.00 -0.06 -0.15 0.00 -1.02 0.00 0.00 32.46 31.22 2gbu n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2gbu s THR 116 N -0.06 2.62 -0.24 0.55 2.01 -0.81 0.18 115.64 119.89 2gbu s THR 116 Ca 0.17 -0.82 -0.19 0.00 0.31 0.00 0.00 61.69 61.17 2gbu s THR 116 Cb -0.01 -2.07 -0.03 0.00 0.01 0.00 0.00 72.50 70.41 2gbu s THR 116 CO 0.11 0.54 0.54 -0.22 -0.69 0.00 0.00 174.62 174.90 2gbu s LEU 117 N 0.37 4.08 -0.07 4.42 2.96 -0.24 -0.19 118.68 130.00 2gbu s LEU 117 Ca -0.14 0.60 0.04 0.00 -0.22 0.00 0.00 54.13 54.41 2gbu s LEU 117 Cb -0.17 -2.72 -0.02 0.00 0.50 0.00 0.00 46.19 43.79 2gbu s LEU 117 CO 0.07 -0.28 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.93 2gbu s VAL 118 N 2.19 2.53 -0.14 1.68 1.01 0.04 -1.67 120.40 126.04 2gbu s VAL 118 Ca 0.23 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 2gbu s VAL 118 Cb -0.16 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 2gbu s VAL 118 CO 0.09 0.56 0.05 0.54 0.00 0.00 0.00 175.10 176.35 2gbu s VAL 119 N -0.18 4.70 0.27 2.92 0.11 -0.58 -1.42 120.40 126.23 2gbu s VAL 119 Ca -0.02 -0.08 0.07 0.00 -2.93 0.00 0.00 61.98 59.02 2gbu s VAL 119 Cb -0.14 -3.06 -0.04 0.00 -1.53 0.00 0.00 36.38 31.62 2gbu s VAL 119 CO 0.03 0.53 0.19 -1.00 -3.33 0.00 0.00 175.10 171.52 2gbu s HIS 120 N -0.21 3.02 0.15 1.54 3.76 0.65 -1.24 115.29 122.96 2gbu s HIS 120 Ca 0.07 -0.16 -0.13 0.00 -0.15 0.00 0.00 55.06 54.69 2gbu s HIS 120 Cb -0.12 -1.44 0.02 0.00 1.11 0.00 0.00 32.58 32.14 2gbu s HIS 120 CO 0.02 0.48 1.64 1.49 -0.85 0.00 0.00 174.74 177.51 2gbu h GLU 121 N 1.50 0.79 -5.95 1.40 4.81 -1.35 -3.34 114.58 112.44 2gbu h GLU 121 Ca -0.47 -0.20 -0.56 0.00 -0.13 0.00 0.00 59.36 58.00 2gbu h GLU 121 Cb 1.24 -0.10 -0.08 0.00 0.63 0.00 0.00 28.75 30.45 2gbu h GLU 121 CO 0.60 0.79 -0.49 0.15 -0.73 0.00 0.00 179.01 179.33 2gbu s LYS 122 N -5.23 2.27 0.72 1.92 1.02 -1.26 -4.85 119.74 114.32 2gbu s LYS 122 Ca -0.13 -1.79 -0.15 0.00 0.02 0.00 0.00 55.97 53.93 2gbu s LYS 122 Cb 0.11 -2.04 0.03 0.00 -0.52 0.00 0.00 37.83 35.41 2gbu s LYS 122 CO 0.80 -0.10 1.19 0.00 -0.92 0.00 0.00 175.35 176.31 2gbu s ALA 123 N -2.57 2.18 -0.92 5.17 0.00 -1.02 -1.12 121.76 123.48 2gbu s ALA 123 Ca 0.42 0.84 -0.25 0.00 0.00 0.00 0.00 51.96 52.96 2gbu s ALA 123 Cb 0.03 -3.45 -0.08 0.00 0.00 0.00 0.00 23.12 19.61 2gbu s ALA 123 CO 0.23 -1.78 2.07 0.34 0.00 0.00 0.00 175.76 176.62 2gbu s ASP 124 N -2.10 4.72 0.08 0.00 2.15 -1.26 -4.59 116.67 115.67 2gbu s ASP 124 Ca 0.73 -0.64 -0.02 0.00 0.43 0.00 0.00 52.55 53.05 2gbu s ASP 124 Cb -0.28 -2.56 -0.02 0.00 -0.30 0.00 0.00 42.92 39.76 2gbu s ASP 124 CO 0.44 -3.18 -0.12 -1.54 -0.17 0.00 0.00 175.17 170.60 2gbu n SER 142 N 15.52 -0.26 -4.27 -0.34 3.41 -1.26 -4.99 113.62 121.43 2gbu n SER 142 Ca 0.42 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.66 2gbu n SER 142 Cb 0.46 -0.04 -0.12 0.00 -0.26 0.00 0.00 64.21 64.25 2gbu n SER 142 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2gbu s ARG 143 N -0.16 2.59 0.09 4.33 0.52 -1.26 -0.93 118.95 124.14 2gbu s ARG 143 Ca 0.03 -1.24 -0.14 0.00 -0.52 0.00 0.00 55.73 53.85 2gbu s ARG 143 Cb 0.01 -3.51 -0.15 0.00 0.52 0.00 0.00 34.95 31.82 2gbu s ARG 143 CO 0.05 -0.72 1.31 -0.07 0.02 0.00 0.00 175.30 175.89 2gbu h LEU 144 N 8.24 0.85 -7.16 2.53 3.38 -1.48 -3.47 115.31 118.20 2gbu h LEU 144 Ca -0.23 -0.60 -0.07 0.00 0.09 0.00 0.00 57.88 57.07 2gbu h LEU 144 Cb 1.08 -0.25 -0.19 0.00 0.09 0.00 0.00 40.66 41.39 2gbu h LEU 144 CO 0.63 1.31 0.05 0.00 0.09 0.00 0.00 178.44 180.51 2gbu s ALA 145 N -3.85 -1.45 0.09 1.53 0.00 -1.18 -4.19 121.76 112.71 2gbu s ALA 145 Ca -0.11 0.95 -0.02 0.00 0.00 0.00 0.00 51.96 52.77 2gbu s ALA 145 Cb 0.08 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 2gbu s ALA 145 CO 0.87 -0.37 0.04 0.00 0.00 0.00 0.00 175.76 176.31 2gbu s ALA 146 N -1.44 0.50 -0.26 0.00 0.00 -0.29 -1.52 121.76 118.75 2gbu s ALA 146 Ca -0.11 -1.20 -0.19 0.00 0.00 0.00 0.00 51.96 50.46 2gbu s ALA 146 Cb -0.01 0.53 0.07 0.00 0.00 0.00 0.00 23.12 23.70 2gbu s ALA 146 CO 0.07 -0.44 0.66 0.20 0.00 0.00 0.00 175.76 176.24 2gbu s GLY 147 N -2.96 -0.55 0.22 0.00 0.00 -0.67 -0.67 107.32 102.69 2gbu s GLY 147 Ca 0.13 2.09 -0.30 0.00 0.00 0.00 0.00 44.72 46.64 2gbu s GLY 147 CO -0.06 1.97 1.39 0.14 0.00 0.00 0.00 173.10 176.54 2gbu s VAL 148 N 0.97 2.90 -0.28 1.40 1.01 -1.26 -1.08 120.40 124.07 2gbu s VAL 148 Ca -0.05 0.74 -0.28 0.00 0.00 0.00 0.00 61.98 62.39 2gbu s VAL 148 Cb -0.05 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 32.87 2gbu s VAL 148 CO -0.09 0.11 1.01 -0.63 0.00 0.00 0.00 175.10 175.50 2gbu s ILE 149 N 0.12 4.63 0.31 2.22 1.01 0.13 -4.47 121.20 125.15 2gbu s ILE 149 Ca 0.59 1.78 0.06 0.00 0.00 0.00 0.00 60.65 63.07 2gbu s ILE 149 Cb -0.40 -4.32 -0.06 0.00 0.01 0.00 0.00 42.46 37.69 2gbu s ILE 149 CO 0.40 -0.31 -0.00 -0.83 0.00 0.00 0.00 174.94 174.20 2gbu s GLY 150 N 1.45 2.01 0.24 6.18 0.00 -0.12 0.05 107.32 117.13 2gbu s GLY 150 Ca 0.43 -2.02 -0.30 0.00 0.00 0.00 0.00 44.72 42.83 2gbu s GLY 150 CO 0.11 -1.86 1.14 -0.42 0.00 0.00 0.00 173.10 172.06 2gbu s ILE 151 N -3.08 3.52 0.28 0.90 1.01 -1.26 -0.69 121.20 121.88 2gbu s ILE 151 Ca 0.33 1.42 0.11 0.00 0.00 0.00 0.00 60.65 62.50 2gbu s ILE 151 Cb 0.07 -3.90 -0.05 0.00 0.01 0.00 0.00 42.46 38.58 2gbu s ILE 151 CO 0.14 0.29 -0.10 0.00 0.00 0.00 0.00 174.94 175.28 2gbu s ALA 152 N -0.69 2.97 -2.00 9.38 0.00 -0.95 -4.77 121.76 125.69 2gbu s ALA 152 Ca 0.48 -1.81 0.31 0.00 0.00 0.00 0.00 51.96 50.94 2gbu s ALA 152 Cb -0.32 -0.47 1.86 0.00 0.00 0.00 0.00 23.12 24.19 2gbu s ALA 152 CO 0.39 0.24 2.19 0.94 0.00 0.00 0.00 175.76 179.53