#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gbu s ILE 4 N 0.00 1.98 -0.02 1.96 1.01 -1.07 0.27 121.20 125.33 3gbu s ILE 4 Ca 0.00 -0.92 0.08 0.00 0.00 0.00 0.00 60.65 59.81 3gbu s ILE 4 Cb 0.00 -1.77 -0.02 0.00 0.01 0.00 0.00 42.46 40.68 3gbu s ILE 4 CO 0.00 0.53 -0.26 0.00 0.00 0.00 0.00 174.94 175.21 3gbu s ALA 5 N 1.04 2.14 0.04 9.38 0.00 -0.54 -2.10 121.76 131.73 3gbu s ALA 5 Ca -0.02 -1.10 0.07 0.00 0.00 0.00 0.00 51.96 50.91 3gbu s ALA 5 Cb -0.14 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 3gbu s ALA 5 CO -0.06 0.52 -0.18 -1.12 0.00 0.00 0.00 175.76 174.91 3gbu s SER 6 N -0.57 3.78 -0.06 0.00 0.01 -0.49 -0.32 113.70 116.06 3gbu s SER 6 Ca 0.09 -0.44 -0.02 0.00 1.31 0.00 0.00 55.95 56.90 3gbu s SER 6 Cb -0.10 -0.60 0.03 0.00 0.21 0.00 0.00 66.02 65.56 3gbu s SER 6 CO -0.01 0.25 0.02 -0.51 0.41 0.00 0.00 173.24 173.41 3gbu s ILE 7 N -0.93 0.20 -3.35 1.44 2.07 0.12 -0.28 121.20 120.47 3gbu s ILE 7 Ca 0.15 0.23 0.00 0.00 -1.41 0.00 0.00 60.65 59.62 3gbu s ILE 7 Cb -0.10 -0.40 0.00 0.00 0.13 0.00 0.00 42.46 42.09 3gbu s ILE 7 CO 0.05 0.23 0.00 0.61 -1.91 0.00 0.00 174.94 173.92 3gbu n GLY 8 N 5.20 -0.92 3.74 1.50 0.00 -1.07 -1.83 105.19 111.80 3gbu n GLY 8 Ca -0.06 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 3gbu n GLY 8 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3gbu n GLU 9 N 0.00 2.56 -3.77 1.61 0.00 -1.26 -4.58 120.64 115.20 3gbu n GLU 9 Ca 0.00 0.91 -0.23 0.00 0.00 0.00 0.00 57.16 57.84 3gbu n GLU 9 Cb 0.00 -2.65 -0.18 0.00 0.00 0.00 0.00 31.44 28.62 3gbu n GLU 9 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 3gbu s LEU 10 N -0.78 0.60 0.34 -1.84 2.96 -1.26 -4.07 118.68 114.63 3gbu s LEU 10 Ca 0.62 -0.09 -0.11 0.00 -0.22 0.00 0.00 54.13 54.33 3gbu s LEU 10 Cb -0.52 -0.45 0.02 0.00 0.50 0.00 0.00 46.19 45.75 3gbu s LEU 10 CO 0.53 -0.19 0.62 -1.48 -1.32 0.00 0.00 176.35 174.51 3gbu s LEU 11 N 1.96 0.42 -0.20 -0.68 0.05 -0.74 -4.40 118.68 115.09 3gbu s LEU 11 Ca 0.05 -1.21 -0.15 0.00 0.05 0.00 0.00 54.13 52.87 3gbu s LEU 11 Cb -0.12 2.17 -0.04 0.00 -2.05 0.00 0.00 46.19 46.14 3gbu s LEU 11 CO -0.05 -1.45 0.34 -0.63 -0.55 0.00 0.00 176.35 174.01 3gbu s ILE 12 N -2.93 5.25 -0.22 1.48 -1.09 0.31 0.89 121.20 124.89 3gbu s ILE 12 Ca 0.22 0.59 -0.14 0.00 -2.23 0.00 0.00 60.65 59.08 3gbu s ILE 12 Cb -0.03 -3.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.14 3gbu s ILE 12 CO 0.14 0.29 0.33 -1.81 -1.23 0.00 0.00 174.94 172.67 3gbu s ASP 13 N 0.94 6.33 -0.55 3.58 1.01 0.30 -1.15 116.67 127.13 3gbu s ASP 13 Ca 0.17 0.38 -0.08 0.00 0.71 0.00 0.00 52.55 53.72 3gbu s ASP 13 Cb -0.14 -2.19 0.14 0.00 1.01 0.00 0.00 42.92 41.74 3gbu s ASP 13 CO 0.07 -0.05 0.42 -0.76 0.21 0.00 0.00 175.17 175.06 3gbu s LEU 14 N 1.33 5.75 -0.22 1.23 1.43 0.01 -1.31 118.68 126.90 3gbu s LEU 14 Ca 0.15 -2.22 -0.23 0.00 -1.03 0.00 0.00 54.13 50.80 3gbu s LEU 14 Cb -0.14 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.06 3gbu s LEU 14 CO 0.07 -0.61 0.74 -0.63 0.23 0.00 0.00 176.35 176.16 3gbu s ILE 15 N 0.89 4.92 0.12 -0.59 1.01 -0.33 -0.71 121.20 126.51 3gbu s ILE 15 Ca 0.10 1.40 -0.33 0.00 0.00 0.00 0.00 60.65 61.81 3gbu s ILE 15 Cb -0.23 -4.04 -0.13 0.00 0.01 0.00 0.00 42.46 38.07 3gbu s ILE 15 CO -0.03 0.01 1.67 -1.20 0.00 0.00 0.00 174.94 175.39 3gbu n SER 16 N 5.57 3.34 0.08 3.58 7.64 -0.12 -0.89 113.62 132.83 3gbu n SER 16 Ca 0.02 1.05 -0.14 0.00 1.01 0.00 0.00 58.87 60.82 3gbu n SER 16 Cb 0.49 -1.45 -0.07 0.00 -1.01 0.00 0.00 64.21 62.17 3gbu n SER 16 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3gbu h VAL 17 N 4.03 1.43 -2.01 0.44 2.07 -1.27 -3.46 116.25 117.47 3gbu h VAL 17 Ca -0.45 -2.64 -0.56 0.00 0.82 0.00 0.00 66.70 63.87 3gbu h VAL 17 Cb 1.25 2.59 -0.09 0.00 -1.52 0.00 0.00 31.29 33.52 3gbu h VAL 17 CO 0.91 0.78 -0.60 -1.83 0.02 0.00 0.00 177.57 176.85 3gbu s GLU 18 N -3.07 2.28 0.77 1.57 -1.05 -1.26 -5.09 118.70 112.84 3gbu s GLU 18 Ca -0.05 -1.54 -0.11 0.00 -0.15 0.00 0.00 54.97 53.11 3gbu s GLU 18 Cb 0.08 -2.11 0.05 0.00 -0.44 0.00 0.00 34.13 31.71 3gbu s GLU 18 CO 0.87 0.21 1.08 -1.21 0.95 0.00 0.00 175.26 177.17 3gbu s GLU 19 N -3.75 2.33 0.00 -4.83 2.02 -1.26 -4.95 118.70 108.26 3gbu s GLU 19 Ca 0.35 0.77 0.00 0.00 0.02 0.00 0.00 54.97 56.10 3gbu s GLU 19 Cb -0.03 -1.94 0.00 0.00 0.10 0.00 0.00 34.13 32.26 3gbu s GLU 19 CO 0.21 -1.48 0.00 0.41 0.02 0.00 0.00 175.26 174.42 3gbu n GLY 20 N -1.99 2.90 3.76 -1.39 0.00 -1.26 -4.84 105.19 102.37 3gbu n GLY 20 Ca 0.07 -2.00 -0.37 0.00 0.00 0.00 0.00 46.02 43.73 3gbu n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gbu s ASP 21 N 0.00 5.55 0.50 1.61 2.15 -1.26 -4.75 116.67 120.47 3gbu s ASP 21 Ca 0.00 2.48 0.27 0.00 0.43 0.00 0.00 52.55 55.73 3gbu s ASP 21 Cb 0.00 -2.61 1.35 0.00 -0.30 0.00 0.00 42.92 41.36 3gbu s ASP 21 CO 0.00 -1.35 1.88 -0.07 -0.17 0.00 0.00 175.17 175.46 3gbu h LEU 22 N 1.48 0.13 -1.34 -1.34 3.38 -1.96 0.18 115.31 115.83 3gbu h LEU 22 Ca -0.50 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.50 3gbu h LEU 22 Cb 1.28 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.99 3gbu h LEU 22 CO 0.58 0.05 0.46 0.50 0.09 0.00 0.00 178.44 180.11 3gbu h LYS 23 N 0.13 0.86 0.00 1.13 3.64 -2.03 -3.14 116.57 117.16 3gbu h LYS 23 Ca 0.44 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.76 3gbu h LYS 23 Cb 1.52 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 33.14 3gbu h LYS 23 CO -0.06 0.57 -1.77 -0.25 -2.27 0.00 0.00 179.45 175.66 3gbu n ASP 24 N -4.44 0.20 -4.67 4.20 8.00 0.53 -4.97 116.55 115.40 3gbu n ASP 24 Ca 0.08 0.08 -0.46 0.00 0.71 0.00 0.00 54.79 55.19 3gbu n ASP 24 Cb 0.08 1.63 -0.04 0.00 -0.02 0.00 0.00 41.12 42.77 3gbu n ASP 24 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3gbu n VAL 25 N -2.36 0.07 -0.05 2.53 0.31 -0.69 -4.90 118.33 113.24 3gbu n VAL 25 Ca -0.03 -0.01 -0.07 0.00 -0.01 0.00 0.00 64.34 64.21 3gbu n VAL 25 Cb 0.57 -1.57 -0.14 0.00 -0.91 0.00 0.00 33.84 31.79 3gbu n VAL 25 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3gbu n ARG 26 N 3.77 0.66 -4.84 5.55 1.74 -1.26 -4.97 116.66 117.30 3gbu n ARG 26 Ca 0.18 0.13 -0.25 0.00 -0.77 0.00 0.00 57.85 57.14 3gbu n ARG 26 Cb 0.29 -1.67 -0.16 0.00 -1.02 0.00 0.00 32.46 29.90 3gbu n ARG 26 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3gbu s LEU 27 N -5.72 1.99 0.01 0.55 1.43 -1.26 -5.08 118.68 110.59 3gbu s LEU 27 Ca -0.07 -0.33 0.05 0.00 -1.03 0.00 0.00 54.13 52.75 3gbu s LEU 27 Cb 0.07 -0.93 -0.02 0.00 0.03 0.00 0.00 46.19 45.35 3gbu s LEU 27 CO 0.83 0.19 -0.16 -0.36 0.23 0.00 0.00 176.35 177.08 3gbu s PHE 28 N -0.24 1.45 -0.15 0.29 0.08 -1.26 -0.71 117.98 117.43 3gbu s PHE 28 Ca 0.03 -0.30 0.00 0.00 0.12 0.00 0.00 56.93 56.78 3gbu s PHE 28 Cb -0.09 -0.91 -0.00 0.00 -0.57 0.00 0.00 43.02 41.45 3gbu s PHE 28 CO 0.00 0.00 -0.14 -2.00 -0.10 0.00 0.00 175.22 172.98 3gbu s GLU 29 N -0.63 3.25 0.07 0.44 2.12 -0.07 -4.87 118.70 119.01 3gbu s GLU 29 Ca 0.06 -0.73 -0.22 0.00 0.36 0.00 0.00 54.97 54.43 3gbu s GLU 29 Cb -0.07 -2.64 -0.07 0.00 0.26 0.00 0.00 34.13 31.61 3gbu s GLU 29 CO 0.00 0.04 0.65 -1.59 -0.54 0.00 0.00 175.26 173.83 3gbu s LYS 30 N 0.76 4.36 0.05 4.30 -2.85 -1.26 -1.19 119.74 123.91 3gbu s LYS 30 Ca -0.06 0.88 -0.06 0.00 -1.00 0.00 0.00 55.97 55.73 3gbu s LYS 30 Cb -0.15 -3.29 -0.01 0.00 -2.06 0.00 0.00 37.83 32.32 3gbu s LYS 30 CO 0.01 0.51 0.12 -1.01 0.10 0.00 0.00 175.35 175.08 3gbu s HIS 31 N -0.76 0.20 0.32 1.78 3.76 -0.43 -4.99 115.29 115.17 3gbu s HIS 31 Ca 0.32 -0.54 -0.28 0.00 -0.15 0.00 0.00 55.06 54.41 3gbu s HIS 31 Cb -0.20 -0.13 -0.10 0.00 1.11 0.00 0.00 32.58 33.26 3gbu s HIS 31 CO 0.21 -0.42 1.17 -2.14 -0.85 0.00 0.00 174.74 172.71 3gbu s PRO 32 N -3.01 4.46 0.20 8.40 0.02 -1.26 -0.54 135.00 143.27 3gbu s PRO 32 Ca -0.02 1.93 0.04 0.00 0.02 0.00 0.00 61.00 62.97 3gbu s PRO 32 Cb 0.01 -3.07 -0.02 0.00 0.02 0.00 0.00 34.50 31.45 3gbu s PRO 32 CO -0.06 0.01 0.16 0.41 -0.33 0.00 0.00 177.00 177.18 3gbu n GLY 33 N 0.97 3.40 0.00 0.52 0.00 0.26 -4.72 105.19 105.61 3gbu n GLY 33 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.21 3gbu n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gbu n GLY 34 N -0.30 1.68 0.36 -0.02 0.00 -1.26 -1.79 105.19 103.86 3gbu n GLY 34 Ca 0.04 -1.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.03 3gbu n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gbu h ALA 35 N 0.00 0.13 -0.81 4.61 0.00 -1.99 0.10 119.26 121.30 3gbu h ALA 35 Ca 0.00 0.24 0.08 0.00 0.00 0.00 0.00 54.91 55.23 3gbu h ALA 35 Cb 0.00 0.89 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 3gbu h ALA 35 CO 0.00 -0.62 0.48 -1.35 0.00 0.00 0.00 179.25 177.76 3gbu h PRO 36 N -0.06 0.81 -0.40 0.00 0.11 -1.93 0.10 132.00 130.64 3gbu h PRO 36 Ca 0.31 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 66.24 3gbu h PRO 36 Cb 0.59 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 3gbu h PRO 36 CO -0.87 0.54 -0.31 0.00 -0.21 0.00 0.00 178.00 177.15 3gbu h ALA 37 N 1.42 0.71 -0.65 -0.75 0.00 -1.24 -0.13 119.26 118.63 3gbu h ALA 37 Ca 0.38 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3gbu h ALA 37 Cb 0.27 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3gbu h ALA 37 CO -0.21 0.66 0.15 -0.91 0.00 0.00 0.00 179.25 178.94 3gbu h ASN 38 N 0.73 0.97 -0.28 0.00 2.35 0.04 -1.69 115.58 117.70 3gbu h ASN 38 Ca 0.08 -0.20 -0.10 0.00 -0.55 0.00 0.00 56.30 55.52 3gbu h ASN 38 Cb 0.87 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 3gbu h ASN 38 CO 0.08 0.94 -0.23 0.58 -1.65 0.00 0.00 177.43 177.14 3gbu h VAL 39 N 0.98 1.30 -0.95 2.81 2.07 -0.65 -2.20 116.25 119.61 3gbu h VAL 39 Ca 0.20 -1.39 0.11 0.00 0.82 0.00 0.00 66.70 66.45 3gbu h VAL 39 Cb 0.36 1.58 -0.07 0.00 -1.52 0.00 0.00 31.29 31.63 3gbu h VAL 39 CO 0.00 0.44 0.61 0.00 0.02 0.00 0.00 177.57 178.64 3gbu h ALA 40 N 0.71 1.59 -0.28 1.67 0.00 -0.69 0.12 119.26 122.38 3gbu h ALA 40 Ca 0.05 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 3gbu h ALA 40 Cb 0.79 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3gbu h ALA 40 CO 0.06 0.19 -0.57 0.28 0.00 0.00 0.00 179.25 179.21 3gbu h VAL 41 N 0.94 1.27 -0.62 0.00 2.07 -1.23 -2.44 116.25 116.24 3gbu h VAL 41 Ca 0.46 -1.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.22 3gbu h VAL 41 Cb 0.47 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 3gbu h VAL 41 CO -0.22 0.57 0.37 1.23 0.02 0.00 0.00 177.57 179.54 3gbu h GLY 42 N 0.68 0.90 1.23 2.17 0.00 -0.52 0.16 103.07 107.69 3gbu h GLY 42 Ca 0.01 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 3gbu h GLY 42 CO 0.13 0.36 0.25 -2.08 0.00 0.00 0.00 176.54 175.20 3gbu h VAL 43 N 0.84 1.23 -0.50 4.60 2.07 -0.80 -1.83 116.25 121.86 3gbu h VAL 43 Ca 0.22 -0.75 -0.11 0.00 0.82 0.00 0.00 66.70 66.89 3gbu h VAL 43 Cb -0.02 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 3gbu h VAL 43 CO -0.04 0.30 -0.11 -1.28 0.02 0.00 0.00 177.57 176.45 3gbu h SER 44 N 0.96 0.94 0.91 0.57 0.87 -0.85 -2.11 113.55 114.84 3gbu h SER 44 Ca 0.22 -0.30 -0.02 0.00 -1.23 0.00 0.00 61.79 60.46 3gbu h SER 44 Cb 0.20 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 3gbu h SER 44 CO -0.02 1.06 -0.11 0.03 -0.53 0.00 0.00 176.83 177.26 3gbu h ARG 45 N 0.84 0.00 -0.03 2.24 3.08 -0.55 -1.95 114.38 118.02 3gbu h ARG 45 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3gbu h ARG 45 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 3gbu h ARG 45 CO 0.05 0.11 0.00 1.28 -1.07 0.00 0.00 179.97 180.33 3gbu n LEU 46 N -3.27 0.35 0.00 3.04 4.77 -0.73 -0.69 117.00 120.48 3gbu n LEU 46 Ca 0.00 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 3gbu n LEU 46 Cb 0.35 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3gbu n LEU 46 CO 0.30 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3gbu n GLY 47 N 0.91 0.76 3.52 -0.72 0.00 -0.73 -4.74 105.19 104.19 3gbu n GLY 47 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3gbu n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gbu s VAL 48 N -2.06 4.18 0.26 1.61 1.01 -0.84 -5.03 120.40 119.54 3gbu s VAL 48 Ca 0.00 -0.25 -0.31 0.00 0.00 0.00 0.00 61.98 61.43 3gbu s VAL 48 Cb 0.00 -2.87 -0.12 0.00 0.00 0.00 0.00 36.38 33.39 3gbu s VAL 48 CO 0.00 0.46 1.63 0.29 0.00 0.00 0.00 175.10 177.48 3gbu n LYS 49 N 3.75 2.69 -3.84 2.72 4.01 -1.26 -3.42 118.16 122.80 3gbu n LYS 49 Ca -0.17 0.96 -0.12 0.00 -0.51 0.00 0.00 58.31 58.47 3gbu n LYS 49 Cb 0.52 -2.76 -0.09 0.00 -0.51 0.00 0.00 35.03 32.19 3gbu n LYS 49 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 3gbu s SER 50 N 0.70 -0.02 0.23 4.39 1.04 -1.26 -2.61 113.70 116.18 3gbu s SER 50 Ca 0.68 -0.15 0.06 0.00 0.48 0.00 0.00 55.95 57.01 3gbu s SER 50 Cb -0.51 0.23 -0.05 0.00 0.10 0.00 0.00 66.02 65.79 3gbu s SER 50 CO 0.43 -0.40 -0.06 -0.94 0.98 0.00 0.00 173.24 173.25 3gbu s SER 51 N -1.42 2.31 -0.04 7.02 1.04 -0.89 -0.72 113.70 120.99 3gbu s SER 51 Ca -0.14 -1.14 0.01 0.00 0.48 0.00 0.00 55.95 55.16 3gbu s SER 51 Cb -0.07 -0.09 0.02 0.00 0.10 0.00 0.00 66.02 65.99 3gbu s SER 51 CO 0.02 -0.36 -0.04 -0.22 0.98 0.00 0.00 173.24 173.62 3gbu s LEU 52 N -3.34 1.33 -0.27 2.42 2.96 -0.77 -1.40 118.68 119.61 3gbu s LEU 52 Ca 0.26 -0.13 -0.07 0.00 -0.22 0.00 0.00 54.13 53.97 3gbu s LEU 52 Cb 0.03 -0.44 -0.01 0.00 0.50 0.00 0.00 46.19 46.27 3gbu s LEU 52 CO 0.08 -0.05 0.08 -0.63 -1.32 0.00 0.00 176.35 174.51 3gbu s ILE 53 N 0.91 4.14 0.05 6.68 1.09 0.61 -3.72 121.20 130.96 3gbu s ILE 53 Ca -0.11 -0.44 -0.02 0.00 -1.10 0.00 0.00 60.65 58.99 3gbu s ILE 53 Cb -0.14 -3.04 0.01 0.00 -1.06 0.00 0.00 42.46 38.23 3gbu s ILE 53 CO 0.00 0.21 0.09 -0.24 -0.10 0.00 0.00 174.94 174.90 3gbu n SER 54 N 4.90 -0.28 -3.68 3.58 2.88 -1.12 -2.61 113.62 117.29 3gbu n SER 54 Ca -0.15 -1.21 -0.14 0.00 -1.33 0.00 0.00 58.87 56.04 3gbu n SER 54 Cb 0.50 0.46 -0.13 0.00 -0.75 0.00 0.00 64.21 64.29 3gbu n SER 54 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 3gbu s LYS 55 N -2.02 0.15 0.35 -1.46 2.20 -1.26 -1.14 119.74 116.56 3gbu s LYS 55 Ca 0.02 0.66 0.09 0.00 -0.36 0.00 0.00 55.97 56.39 3gbu s LYS 55 Cb -0.01 -0.08 -0.06 0.00 -1.51 0.00 0.00 37.83 36.17 3gbu s LYS 55 CO 0.02 -0.25 -0.02 0.14 -0.36 0.00 0.00 175.35 174.87 3gbu s VAL 56 N 2.07 2.41 0.65 4.02 -7.23 0.58 -1.84 120.40 121.05 3gbu s VAL 56 Ca -0.02 -2.05 -0.10 0.00 -1.81 0.00 0.00 61.98 58.00 3gbu s VAL 56 Cb -0.12 -2.77 -0.01 0.00 0.56 0.00 0.00 36.38 34.05 3gbu s VAL 56 CO -0.08 -0.17 1.03 -0.83 -0.31 0.00 0.00 175.10 174.74 3gbu s GLY 57 N -3.68 1.63 -1.33 2.32 0.00 -1.26 0.87 107.32 105.86 3gbu s GLY 57 Ca 0.34 -0.32 -0.13 0.00 0.00 0.00 0.00 44.72 44.62 3gbu s GLY 57 CO 0.18 -0.00 1.91 -2.01 0.00 0.00 0.00 173.10 173.18 3gbu n ASN 58 N -2.83 4.69 -3.62 1.64 5.15 0.02 -4.19 115.26 116.11 3gbu n ASN 58 Ca 0.06 -2.97 -0.13 0.00 -0.60 0.00 0.00 54.58 50.93 3gbu n ASN 58 Cb 0.56 -1.59 -0.06 0.00 -0.53 0.00 0.00 39.78 38.16 3gbu n ASN 58 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 3gbu s ASP 59 N 2.44 0.61 0.33 1.20 1.47 -1.26 -5.02 116.67 116.44 3gbu s ASP 59 Ca 0.45 -1.37 0.05 0.00 1.18 0.00 0.00 52.55 52.86 3gbu s ASP 59 Cb 0.08 0.58 0.70 0.00 -0.34 0.00 0.00 42.92 43.94 3gbu s ASP 59 CO -0.02 -1.15 1.88 -0.65 0.68 0.00 0.00 175.17 175.92 3gbu h PRO 60 N 2.24 0.80 -0.39 2.11 0.11 -2.00 -1.09 132.00 133.79 3gbu h PRO 60 Ca -0.29 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.67 3gbu h PRO 60 Cb 1.24 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 3gbu h PRO 60 CO 0.40 0.53 -0.18 0.74 -0.21 0.00 0.00 178.00 179.29 3gbu h PHE 61 N 0.83 0.81 -0.52 0.65 0.04 -1.97 -0.96 116.94 115.83 3gbu h PHE 61 Ca 0.43 -0.17 -0.03 0.00 2.80 0.00 0.00 57.97 61.00 3gbu h PHE 61 Cb 0.51 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.44 3gbu h PHE 61 CO -0.00 0.86 0.20 0.78 -0.60 0.00 0.00 178.31 179.54 3gbu h GLY 62 N 0.98 0.84 1.16 -1.45 0.00 -1.40 -1.79 103.07 101.41 3gbu h GLY 62 Ca 0.10 -0.47 -0.07 0.00 0.00 0.00 0.00 47.33 46.90 3gbu h GLY 62 CO 0.05 0.44 0.15 0.83 0.00 0.00 0.00 176.54 178.01 3gbu h GLU 63 N 0.70 1.04 -0.11 4.80 5.08 -1.07 -2.40 114.58 122.62 3gbu h GLU 63 Ca 0.17 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3gbu h GLU 63 Cb 0.21 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3gbu h GLU 63 CO -0.01 0.92 0.07 -0.92 -1.00 0.00 0.00 179.01 178.07 3gbu h TYR 64 N 0.98 0.14 -0.61 4.33 3.20 -0.92 -1.14 116.97 122.95 3gbu h TYR 64 Ca 0.21 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 3gbu h TYR 64 Cb 0.36 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 3gbu h TYR 64 CO 0.03 0.09 0.37 -0.07 -1.64 0.00 0.00 178.16 176.93 3gbu h LEU 65 N 0.15 0.74 -0.84 2.82 3.38 -1.12 -0.29 115.31 120.14 3gbu h LEU 65 Ca 0.04 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3gbu h LEU 65 Cb -0.02 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3gbu h LEU 65 CO -0.01 0.58 0.11 0.40 0.09 0.00 0.00 178.44 179.61 3gbu h ILE 66 N 0.83 1.25 -0.05 1.22 2.04 -1.32 -1.57 117.51 119.92 3gbu h ILE 66 Ca 0.22 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 3gbu h ILE 66 Cb -0.02 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3gbu h ILE 66 CO -0.04 0.36 0.01 -0.33 0.00 0.00 0.00 178.15 178.14 3gbu h GLU 67 N 0.92 0.08 -0.94 2.37 5.08 -0.71 -0.91 114.58 120.47 3gbu h GLU 67 Ca 0.19 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 3gbu h GLU 67 Cb 0.39 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 3gbu h GLU 67 CO 0.01 0.31 0.62 0.93 -1.00 0.00 0.00 179.01 179.88 3gbu h GLU 68 N -0.16 1.20 -0.54 2.33 4.39 -0.94 -0.89 114.58 119.98 3gbu h GLU 68 Ca 0.02 -0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.54 3gbu h GLU 68 Cb 0.27 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 3gbu h GLU 68 CO 0.00 0.79 -0.07 -0.07 -1.16 0.00 0.00 179.01 178.50 3gbu h LEU 69 N 1.24 0.99 -1.06 1.33 3.38 -1.22 -2.80 115.31 117.17 3gbu h LEU 69 Ca 0.36 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 58.03 3gbu h LEU 69 Cb -0.09 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.33 3gbu h LEU 69 CO -0.09 1.10 0.63 -1.28 0.09 0.00 0.00 178.44 178.88 3gbu h SER 70 N 0.87 1.04 0.31 -0.43 0.87 -0.42 -0.95 113.55 114.83 3gbu h SER 70 Ca 0.14 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.66 3gbu h SER 70 Cb 0.63 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 3gbu h SER 70 CO 0.04 0.70 -0.17 0.11 -0.53 0.00 0.00 176.83 176.99 3gbu h LYS 71 N 1.20 0.00 -0.07 2.24 1.57 -0.93 -1.26 116.57 119.32 3gbu h LYS 71 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3gbu h LYS 71 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3gbu h LYS 71 CO -0.12 0.17 0.00 0.39 -0.57 0.00 0.00 179.45 179.31 3gbu n GLU 72 N -3.91 1.64 -1.30 3.15 -0.58 -0.41 -4.93 120.64 114.30 3gbu n GLU 72 Ca -0.02 -0.94 -0.05 0.00 -0.42 0.00 0.00 57.16 55.73 3gbu n GLU 72 Cb 0.26 -1.45 -0.02 0.00 -0.57 0.00 0.00 31.44 29.66 3gbu n GLU 72 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3gbu n ASN 73 N 0.14 -3.42 -4.75 1.62 3.02 -0.48 -4.71 115.26 106.69 3gbu n ASN 73 Ca 0.18 0.11 -0.39 0.00 -0.03 0.00 0.00 54.58 54.45 3gbu n ASN 73 Cb 0.33 -1.61 -0.05 0.00 -0.61 0.00 0.00 39.78 37.84 3gbu n ASN 73 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3gbu s VAL 74 N -2.21 4.87 -0.00 2.41 1.01 -0.91 -4.65 120.40 120.93 3gbu s VAL 74 Ca 0.00 1.41 -0.30 0.00 0.00 0.00 0.00 61.98 63.09 3gbu s VAL 74 Cb 0.00 -4.01 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 3gbu s VAL 74 CO 0.00 0.37 1.61 -0.62 0.00 0.00 0.00 175.10 176.46 3gbu s ASP 75 N 0.04 6.68 0.00 3.32 2.15 0.10 -4.35 116.67 124.60 3gbu s ASP 75 Ca 0.35 2.30 0.16 0.00 0.43 0.00 0.00 52.55 55.78 3gbu s ASP 75 Cb -0.19 -2.55 0.04 0.00 -0.30 0.00 0.00 42.92 39.92 3gbu s ASP 75 CO 0.19 -0.88 0.90 0.35 -0.17 0.00 0.00 175.17 175.56 3gbu n THR 76 N 5.08 0.00 -0.21 1.71 -2.24 -1.26 -1.85 114.28 115.51 3gbu n THR 76 Ca 0.16 -0.39 0.29 0.00 -2.27 0.00 0.00 64.05 61.83 3gbu n THR 76 Cb 0.42 1.24 0.70 0.00 -2.10 0.00 0.00 70.33 70.59 3gbu n THR 76 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3gbu h ARG 77 N 2.23 0.05 -0.07 -0.78 3.08 -1.89 0.39 114.38 117.38 3gbu h ARG 77 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gbu h ARG 77 Cb 0.58 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3gbu h ARG 77 CO 0.00 0.03 0.00 0.41 -1.07 0.00 0.00 179.97 179.34 3gbu n GLY 78 N -1.70 -0.52 3.57 0.04 0.00 -1.26 -4.76 105.19 100.57 3gbu n GLY 78 Ca 0.20 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 3gbu n GLY 78 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gbu s ILE 79 N -1.92 5.16 0.20 -0.61 1.01 0.14 -2.79 121.20 122.39 3gbu s ILE 79 Ca 0.28 0.30 -0.03 0.00 0.00 0.00 0.00 60.65 61.20 3gbu s ILE 79 Cb 0.14 -3.77 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 3gbu s ILE 79 CO 0.22 0.01 0.43 -0.69 0.00 0.00 0.00 174.94 174.91 3gbu s VAL 80 N 2.07 5.14 -0.18 2.92 1.01 -0.29 -4.93 120.40 126.14 3gbu s VAL 80 Ca 0.14 -0.10 -0.07 0.00 0.00 0.00 0.00 61.98 61.96 3gbu s VAL 80 Cb -0.16 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 3gbu s VAL 80 CO 0.11 -0.13 0.04 -0.54 0.00 0.00 0.00 175.10 174.58 3gbu s LYS 81 N -3.12 3.89 -0.08 2.72 1.02 -1.25 -0.31 119.74 122.62 3gbu s LYS 81 Ca 0.41 -0.39 -0.15 0.00 0.02 0.00 0.00 55.97 55.86 3gbu s LYS 81 Cb -0.11 -3.15 -0.05 0.00 -0.52 0.00 0.00 37.83 34.00 3gbu s LYS 81 CO 0.27 0.25 0.40 0.34 -0.92 0.00 0.00 175.35 175.70 3gbu s ASP 82 N 0.40 6.68 0.07 2.83 -1.08 0.25 -4.79 116.67 121.02 3gbu s ASP 82 Ca 0.01 0.81 0.24 0.00 -0.52 0.00 0.00 52.55 53.09 3gbu s ASP 82 Cb -0.13 -2.24 0.34 0.00 -1.46 0.00 0.00 42.92 39.42 3gbu s ASP 82 CO 0.01 0.17 1.29 -0.62 0.52 0.00 0.00 175.17 176.54 3gbu n GLU 83 N 2.81 0.20 -0.09 4.34 -0.58 -1.26 -0.80 120.64 125.25 3gbu n GLU 83 Ca -0.11 0.04 -0.16 0.00 -0.42 0.00 0.00 57.16 56.50 3gbu n GLU 83 Cb 0.52 -1.61 -0.07 0.00 -0.57 0.00 0.00 31.44 29.71 3gbu n GLU 83 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3gbu n LYS 84 N -1.89 0.40 -3.47 3.49 4.76 -1.26 -4.93 118.16 115.26 3gbu n LYS 84 Ca 0.04 0.14 -0.35 0.00 -2.87 0.00 0.00 58.31 55.27 3gbu n LYS 84 Cb 0.41 -1.22 -0.06 0.00 -1.84 0.00 0.00 35.03 32.32 3gbu n LYS 84 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3gbu s LYS 85 N -2.33 3.86 0.41 1.97 -0.14 -1.26 -5.07 119.74 117.18 3gbu s LYS 85 Ca -0.24 0.33 -0.02 0.00 -1.36 0.00 0.00 55.97 54.68 3gbu s LYS 85 Cb 0.08 -2.96 -0.03 0.00 -1.68 0.00 0.00 37.83 33.24 3gbu s LYS 85 CO 0.34 0.52 0.65 -1.01 -0.76 0.00 0.00 175.35 175.09 3gbu s HIS 86 N -1.44 3.51 0.31 3.18 3.76 -1.26 -4.20 115.29 119.14 3gbu s HIS 86 Ca 0.36 0.53 -0.28 0.00 -0.15 0.00 0.00 55.06 55.52 3gbu s HIS 86 Cb -0.14 -2.09 -0.14 0.00 1.11 0.00 0.00 32.58 31.33 3gbu s HIS 86 CO 0.19 -0.07 1.05 2.41 -0.85 0.00 0.00 174.74 177.46 3gbu n THR 87 N -2.00 2.02 -1.80 1.30 -1.04 -1.26 -1.07 114.28 110.43 3gbu n THR 87 Ca -0.02 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.05 61.11 3gbu n THR 87 Cb 0.56 -1.09 0.04 0.00 -1.82 0.00 0.00 70.33 68.02 3gbu n THR 87 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3gbu s GLY 88 N -0.54 2.87 -0.02 3.41 0.00 -1.26 -4.75 107.32 107.04 3gbu s GLY 88 Ca 0.58 1.29 -0.11 0.00 0.00 0.00 0.00 44.72 46.48 3gbu s GLY 88 CO 0.60 1.78 0.23 -0.26 0.00 0.00 0.00 173.10 175.45 3gbu s ILE 89 N -1.34 0.06 -0.15 0.90 -4.36 -1.26 -0.53 121.20 114.53 3gbu s ILE 89 Ca 0.74 -0.51 -0.07 0.00 -0.26 0.00 0.00 60.65 60.55 3gbu s ILE 89 Cb -0.39 -0.51 0.06 0.00 1.25 0.00 0.00 42.46 42.88 3gbu s ILE 89 CO 0.45 -0.28 0.33 0.54 0.24 0.00 0.00 174.94 176.22 3gbu s VAL 90 N -1.17 -0.23 -0.10 8.37 0.11 -0.30 -2.51 120.40 124.58 3gbu s VAL 90 Ca -0.12 0.17 -0.23 0.00 -2.93 0.00 0.00 61.98 58.86 3gbu s VAL 90 Cb -0.06 -0.51 -0.03 0.00 -1.53 0.00 0.00 36.38 34.25 3gbu s VAL 90 CO 0.03 0.07 0.70 -0.36 -3.33 0.00 0.00 175.10 172.21 3gbu s PHE 91 N 1.80 3.52 0.05 1.54 0.08 -0.69 -0.81 117.98 123.48 3gbu s PHE 91 Ca -0.06 1.19 0.06 0.00 0.12 0.00 0.00 56.93 58.24 3gbu s PHE 91 Cb -0.10 -2.83 -0.03 0.00 -0.57 0.00 0.00 43.02 39.49 3gbu s PHE 91 CO -0.11 0.01 -0.16 0.14 -0.10 0.00 0.00 175.22 175.00 3gbu s VAL 92 N 1.15 1.24 -0.31 -0.44 -7.23 0.11 -0.94 120.40 113.98 3gbu s VAL 92 Ca 0.36 -1.16 0.01 0.00 -1.81 0.00 0.00 61.98 59.38 3gbu s VAL 92 Cb -0.17 -1.13 0.09 0.00 0.56 0.00 0.00 36.38 35.73 3gbu s VAL 92 CO 0.16 -0.04 0.06 -1.58 -0.31 0.00 0.00 175.10 173.39 3gbu s GLN 93 N -1.38 1.12 0.14 4.82 2.00 0.00 -0.94 119.66 125.42 3gbu s GLN 93 Ca 0.02 -1.35 0.25 0.00 -2.00 0.00 0.00 55.36 52.27 3gbu s GLN 93 Cb -0.09 -2.53 0.50 0.00 0.80 0.00 0.00 33.01 31.69 3gbu s GLN 93 CO 0.02 -0.91 1.47 1.28 -0.50 0.00 0.00 175.29 176.64 3gbu n LEU 94 N 4.60 0.71 -4.92 3.68 4.77 -1.26 -1.21 117.00 123.37 3gbu n LEU 94 Ca -0.01 0.32 -0.26 0.00 -0.03 0.00 0.00 56.01 56.03 3gbu n LEU 94 Cb 0.42 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.27 3gbu n LEU 94 CO 0.16 -0.08 0.31 -0.54 -1.33 0.00 0.00 177.39 175.91 3gbu s LYS 95 N -3.14 3.53 0.00 3.23 1.02 -1.26 -4.76 119.74 118.37 3gbu s LYS 95 Ca 0.08 -0.04 0.00 0.00 0.02 0.00 0.00 55.97 56.03 3gbu s LYS 95 Cb 0.13 -2.52 0.00 0.00 -0.52 0.00 0.00 37.83 34.92 3gbu s LYS 95 CO 0.68 -0.01 0.00 0.41 -0.92 0.00 0.00 175.35 175.51 3gbu n GLY 96 N -1.92 -0.06 0.15 -3.33 0.00 -1.26 -4.24 105.19 94.53 3gbu n GLY 96 Ca -0.02 -1.93 0.01 0.00 0.00 0.00 0.00 46.02 44.08 3gbu n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gbu h ALA 97 N 0.00 1.03 -2.66 4.61 0.00 -2.01 -3.37 119.26 116.87 3gbu h ALA 97 Ca 0.00 -0.48 -0.60 0.00 0.00 0.00 0.00 54.91 53.82 3gbu h ALA 97 Cb 0.00 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 17.31 3gbu h ALA 97 CO 0.00 0.67 -0.80 0.45 0.00 0.00 0.00 179.25 179.57 3gbu n SER 98 N -3.78 1.15 -4.62 0.00 2.88 -1.26 -5.11 113.62 102.89 3gbu n SER 98 Ca -0.01 -2.77 -0.38 0.00 -1.33 0.00 0.00 58.87 54.37 3gbu n SER 98 Cb 0.56 -0.65 0.04 0.00 -0.75 0.00 0.00 64.21 63.42 3gbu n SER 98 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3gbu n PRO 99 N 2.36 1.01 -4.11 -1.46 -0.02 -1.26 -5.01 135.00 126.50 3gbu n PRO 99 Ca 0.25 0.38 -0.13 0.00 -2.02 0.00 0.00 63.50 61.99 3gbu n PRO 99 Cb 0.42 -2.16 -0.07 0.00 -0.02 0.00 0.00 33.50 31.68 3gbu n PRO 99 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3gbu s SER 100 N -1.14 0.43 0.09 2.55 1.04 -0.35 -5.00 113.70 111.33 3gbu s SER 100 Ca 0.73 -1.30 -0.20 0.00 0.48 0.00 0.00 55.95 55.66 3gbu s SER 100 Cb -0.44 0.54 0.05 0.00 0.10 0.00 0.00 66.02 66.27 3gbu s SER 100 CO 0.49 -1.09 0.49 0.72 0.98 0.00 0.00 173.24 174.83 3gbu s PHE 101 N -3.73 -0.36 -0.30 5.02 -0.12 -1.26 -0.82 117.98 116.42 3gbu s PHE 101 Ca 0.31 0.23 -0.01 0.00 -0.05 0.00 0.00 56.93 57.42 3gbu s PHE 101 Cb 0.02 0.35 0.09 0.00 -0.63 0.00 0.00 43.02 42.85 3gbu s PHE 101 CO 0.15 -0.70 0.08 -1.17 -0.05 0.00 0.00 175.22 173.54 3gbu s LEU 102 N -2.40 2.24 -0.16 -1.99 2.96 -0.12 -4.99 118.68 114.23 3gbu s LEU 102 Ca -0.01 -1.56 -0.09 0.00 -0.22 0.00 0.00 54.13 52.25 3gbu s LEU 102 Cb 0.00 -0.88 -0.05 0.00 0.50 0.00 0.00 46.19 45.76 3gbu s LEU 102 CO -0.07 -0.40 0.14 -0.22 -1.32 0.00 0.00 176.35 174.48 3gbu s LEU 103 N 1.60 4.30 -0.30 -0.68 0.20 -1.26 -1.71 118.68 120.84 3gbu s LEU 103 Ca 0.08 0.36 -0.16 0.00 0.69 0.00 0.00 54.13 55.10 3gbu s LEU 103 Cb -0.17 -2.09 -0.02 0.00 -0.43 0.00 0.00 46.19 43.47 3gbu s LEU 103 CO -0.22 0.29 0.43 -0.31 -0.29 0.00 0.00 176.35 176.24 3gbu s TYR 104 N -0.32 3.22 -0.52 5.38 1.51 -1.04 -4.98 117.35 120.60 3gbu s TYR 104 Ca 0.12 0.30 0.24 0.00 -1.01 0.00 0.00 57.07 56.71 3gbu s TYR 104 Cb -0.12 -2.70 0.23 0.00 -0.11 0.00 0.00 41.96 39.26 3gbu s TYR 104 CO 0.01 -0.35 1.23 0.38 -1.11 0.00 0.00 175.55 175.71 3gbu h ASP 105 N 8.28 0.00 -0.88 2.29 2.03 -1.98 -3.39 116.42 122.78 3gbu h ASP 105 Ca -0.30 -0.17 -0.72 0.00 -0.73 0.00 0.00 57.03 55.11 3gbu h ASP 105 Cb 1.15 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 39.56 3gbu h ASP 105 CO 0.69 0.08 2.74 -0.67 -1.03 0.00 0.00 179.24 181.06 3gbu n ASP 106 N -2.28 8.22 -4.69 4.15 2.03 -1.26 -4.80 116.55 117.92 3gbu n ASP 106 Ca 0.02 -3.01 -0.27 0.00 0.52 0.00 0.00 54.79 52.05 3gbu n ASP 106 Cb 0.47 -1.41 -0.09 0.00 -0.72 0.00 0.00 41.12 39.38 3gbu n ASP 106 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3gbu s VAL 107 N -0.38 1.98 0.29 5.18 -7.23 -1.26 -4.57 120.40 114.40 3gbu s VAL 107 Ca 0.58 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 3gbu s VAL 107 Cb 0.19 -2.84 0.28 0.00 0.56 0.00 0.00 36.38 34.56 3gbu s VAL 107 CO -0.09 0.00 1.88 0.00 -0.31 0.00 0.00 175.10 176.58 3gbu h ALA 108 N 1.54 1.49 0.00 1.32 0.00 -1.33 -2.66 119.26 119.63 3gbu h ALA 108 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3gbu h ALA 108 Cb 1.26 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3gbu h ALA 108 CO 0.75 0.33 0.00 0.10 0.00 0.00 0.00 179.25 180.43 3gbu h TYR 109 N 1.06 0.00 -0.09 0.00 -0.00 -1.66 -2.20 116.97 114.08 3gbu h TYR 109 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.17 3gbu h TYR 109 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.03 3gbu h TYR 109 CO -0.00 0.00 0.00 1.19 -0.00 0.00 0.00 178.16 179.35 3gbu n PHE 110 N -2.57 0.10 -3.87 0.10 3.72 -1.00 -4.81 117.46 109.13 3gbu n PHE 110 Ca 0.02 -0.05 -0.35 0.00 -0.05 0.00 0.00 57.45 57.02 3gbu n PHE 110 Cb 0.29 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.70 3gbu n PHE 110 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3gbu s ASN 111 N -1.83 5.01 -0.24 4.37 2.47 -0.83 -3.03 114.94 120.86 3gbu s ASN 111 Ca 0.35 -1.68 -0.36 0.00 0.42 0.00 0.00 52.86 51.59 3gbu s ASN 111 Cb 0.20 -1.74 0.15 0.00 -1.45 0.00 0.00 41.25 38.41 3gbu s ASN 111 CO 0.31 -0.38 1.30 0.42 -3.72 0.00 0.00 177.10 175.02 3gbu s THR 113 N 1.16 0.00 0.48 -5.21 -4.23 -1.26 -4.82 115.64 101.76 3gbu s THR 113 Ca 0.02 0.00 0.28 0.00 -1.18 0.00 0.00 61.69 60.81 3gbu s THR 113 Cb -0.21 -1.00 0.47 0.00 1.34 0.00 0.00 72.50 73.10 3gbu s THR 113 CO -0.03 0.00 1.82 -0.07 -0.54 0.00 0.00 174.62 175.79 3gbu h LEU 114 N 2.01 0.18 -1.15 4.79 3.38 -1.93 0.68 115.31 123.27 3gbu h LEU 114 Ca -0.06 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3gbu h LEU 114 Cb 1.15 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 3gbu h LEU 114 CO 0.21 0.04 0.37 0.78 0.09 0.00 0.00 178.44 179.93 3gbu h ASN 115 N 0.16 0.86 0.61 -0.43 4.21 -2.02 -2.39 115.58 116.58 3gbu h ASN 115 Ca 0.54 -0.07 0.00 0.00 1.21 0.00 0.00 56.30 57.98 3gbu h ASN 115 Cb 1.80 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 38.79 3gbu h ASN 115 CO -0.12 0.70 0.00 0.44 -1.29 0.00 0.00 177.43 177.16 3gbu h ASP 116 N 0.96 0.00 -3.40 5.81 3.32 -0.06 -3.44 116.42 119.62 3gbu h ASP 116 Ca 0.24 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.75 3gbu h ASP 116 Cb 0.04 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 3gbu h ASP 116 CO -0.04 0.00 0.30 -0.63 -1.72 0.00 0.00 179.24 177.15 3gbu s ILE 117 N -3.48 4.91 -0.89 0.35 -1.09 -0.90 -4.84 121.20 115.26 3gbu s ILE 117 Ca 0.02 1.90 -0.16 0.00 -2.23 0.00 0.00 60.65 60.18 3gbu s ILE 117 Cb 0.09 -4.25 0.18 0.00 -1.58 0.00 0.00 42.46 36.90 3gbu s ILE 117 CO 0.39 0.18 0.95 0.21 -1.23 0.00 0.00 174.94 175.44 3gbu s ASN 118 N 0.96 6.72 0.41 3.58 3.84 -1.26 -4.90 114.94 124.29 3gbu s ASN 118 Ca 0.48 -2.43 0.11 0.00 0.21 0.00 0.00 52.86 51.23 3gbu s ASN 118 Cb -0.20 -2.30 0.93 0.00 -0.55 0.00 0.00 41.25 39.13 3gbu s ASN 118 CO 0.25 -0.79 1.98 -0.50 -2.79 0.00 0.00 177.10 175.25 3gbu h TRP 119 N 8.22 0.54 -0.87 0.43 4.06 -1.95 -1.97 115.95 124.40 3gbu h TRP 119 Ca 0.14 0.01 0.12 0.00 2.06 0.00 0.00 58.89 61.22 3gbu h TRP 119 Cb 1.03 -0.18 -0.06 0.00 -1.00 0.00 0.00 29.16 28.95 3gbu h TRP 119 CO 1.09 0.27 0.56 -0.44 -3.56 0.00 0.00 178.44 176.37 3gbu h ASP 120 N 0.52 0.70 0.16 -3.49 5.19 -1.99 -0.68 116.42 116.82 3gbu h ASP 120 Ca 0.28 0.03 -0.21 0.00 -0.62 0.00 0.00 57.03 56.50 3gbu h ASP 120 Cb 0.41 -0.11 0.02 0.00 0.18 0.00 0.00 39.33 39.83 3gbu h ASP 120 CO -0.08 0.39 -0.94 0.40 -3.12 0.00 0.00 179.24 175.89 3gbu h ILE 121 N 0.76 1.47 0.00 0.35 2.04 -1.79 -2.79 117.51 117.55 3gbu h ILE 121 Ca 0.42 -2.55 -0.02 0.00 1.00 0.00 0.00 64.86 63.70 3gbu h ILE 121 Cb 0.55 3.15 -0.00 0.00 -0.74 0.00 0.00 36.82 39.78 3gbu h ILE 121 CO -0.18 0.73 -0.11 -0.37 0.00 0.00 0.00 178.15 178.22 3gbu h VAL 122 N -0.26 0.49 0.02 1.67 -1.51 -1.18 -3.03 116.25 112.46 3gbu h VAL 122 Ca -0.16 -0.55 -0.30 0.00 -1.23 0.00 0.00 66.70 64.46 3gbu h VAL 122 Cb 1.73 1.37 -0.04 0.00 -2.13 0.00 0.00 31.29 32.22 3gbu h VAL 122 CO 0.18 0.11 -1.69 -0.33 -1.23 0.00 0.00 177.57 174.60 3gbu h GLU 123 N 0.00 0.04 0.00 5.19 5.08 -1.21 -3.34 114.58 120.34 3gbu h GLU 123 Ca -0.00 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3gbu h GLU 123 Cb 0.36 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 3gbu h GLU 123 CO 0.01 0.63 -0.04 1.05 -1.00 0.00 0.00 179.01 179.66 3gbu h GLU 124 N 0.01 0.00 -6.88 2.33 4.11 -1.37 -3.45 114.58 109.34 3gbu h GLU 124 Ca -0.28 0.00 -0.49 0.00 0.07 0.00 0.00 59.36 58.65 3gbu h GLU 124 Cb 2.00 0.00 0.02 0.00 0.50 0.00 0.00 28.75 31.27 3gbu h GLU 124 CO 0.09 0.04 0.44 0.00 0.07 0.00 0.00 179.01 179.65 3gbu s ALA 125 N -3.83 3.25 0.04 1.06 0.00 -1.21 -4.50 121.76 116.58 3gbu s ALA 125 Ca -0.01 0.80 0.08 0.00 0.00 0.00 0.00 51.96 52.83 3gbu s ALA 125 Cb 0.10 -3.30 -0.23 0.00 0.00 0.00 0.00 23.12 19.70 3gbu s ALA 125 CO 0.54 -0.17 0.96 0.87 0.00 0.00 0.00 175.76 177.96 3gbu h LYS 126 N 3.21 0.03 -4.31 0.00 1.79 -0.49 -3.44 116.57 113.37 3gbu h LYS 126 Ca -0.47 -0.04 -0.44 0.00 -2.18 0.00 0.00 60.65 57.52 3gbu h LYS 126 Cb 1.21 0.02 -0.33 0.00 -1.58 0.00 0.00 32.23 31.55 3gbu h LYS 126 CO 0.65 0.79 -0.79 0.42 -1.08 0.00 0.00 179.45 179.44 3gbu s ILE 127 N -2.65 0.75 -0.21 1.86 1.01 -1.16 -0.34 121.20 120.45 3gbu s ILE 127 Ca -0.03 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.35 3gbu s ILE 127 Cb 0.09 -0.71 0.02 0.00 0.01 0.00 0.00 42.46 41.87 3gbu s ILE 127 CO 0.83 0.26 -0.14 -0.69 0.00 0.00 0.00 174.94 175.20 3gbu s VAL 128 N 0.63 2.41 -0.26 2.92 1.01 0.78 -1.46 120.40 126.43 3gbu s VAL 128 Ca -0.10 -1.01 -0.09 0.00 0.00 0.00 0.00 61.98 60.78 3gbu s VAL 128 Cb -0.13 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3gbu s VAL 128 CO 0.01 0.37 0.13 0.21 0.00 0.00 0.00 175.10 175.82 3gbu s ASN 129 N 1.29 5.67 0.16 3.32 2.47 0.57 -0.76 114.94 127.65 3gbu s ASN 129 Ca 0.02 -0.07 0.11 0.00 0.42 0.00 0.00 52.86 53.34 3gbu s ASN 129 Cb -0.15 -2.03 -0.04 0.00 -1.45 0.00 0.00 41.25 37.58 3gbu s ASN 129 CO -0.09 -0.02 -0.24 0.72 -3.72 0.00 0.00 177.10 173.75 3gbu s PHE 130 N 1.54 2.21 0.55 0.43 -0.12 -0.75 -0.70 117.98 121.14 3gbu s PHE 130 Ca 0.06 -0.38 -0.13 0.00 -0.05 0.00 0.00 56.93 56.43 3gbu s PHE 130 Cb -0.15 -1.14 -0.06 0.00 -0.63 0.00 0.00 43.02 41.04 3gbu s PHE 130 CO 0.07 0.39 0.98 0.20 -0.05 0.00 0.00 175.22 176.81 3gbu s GLY 131 N -2.36 1.83 -0.20 1.99 0.00 -0.76 -4.05 107.32 103.77 3gbu s GLY 131 Ca 0.16 -0.02 -0.07 0.00 0.00 0.00 0.00 44.72 44.80 3gbu s GLY 131 CO 0.07 0.24 0.04 -1.26 0.00 0.00 0.00 173.10 172.19 3gbu n SER 132 N -2.15 2.01 -0.33 1.64 2.88 -1.26 -4.34 113.62 112.08 3gbu n SER 132 Ca 0.06 0.14 -0.02 0.00 -1.33 0.00 0.00 58.87 57.72 3gbu n SER 132 Cb 0.54 -0.72 0.11 0.00 -0.75 0.00 0.00 64.21 63.39 3gbu n SER 132 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3gbu h VAL 133 N -0.27 1.16 -0.06 2.46 2.07 -1.86 -1.67 116.25 118.07 3gbu h VAL 133 Ca -0.51 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 66.64 3gbu h VAL 133 Cb 1.82 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3gbu h VAL 133 CO -0.09 0.21 0.16 -0.29 0.02 0.00 0.00 177.57 177.57 3gbu h ILE 134 N 1.13 0.18 -0.00 4.57 6.09 -1.96 -1.99 117.51 125.53 3gbu h ILE 134 Ca 0.35 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.84 3gbu h ILE 134 Cb -0.02 0.86 0.00 0.00 0.47 0.00 0.00 36.82 38.13 3gbu h ILE 134 CO -0.11 0.00 -0.08 0.18 -3.07 0.00 0.00 178.15 175.07 3gbu n LEU 135 N -3.30 0.36 0.09 2.19 4.77 -0.63 -4.03 117.00 116.46 3gbu n LEU 135 Ca -0.01 0.06 0.11 0.00 -0.03 0.00 0.00 56.01 56.14 3gbu n LEU 135 Cb 0.24 -0.19 0.45 0.00 -2.33 0.00 0.00 43.42 41.59 3gbu n LEU 135 CO 0.21 0.07 0.84 0.00 -1.33 0.00 0.00 177.39 177.18 3gbu n ALA 136 N -1.01 1.81 -3.11 -1.18 0.00 -0.75 -4.68 120.51 111.60 3gbu n ALA 136 Ca 0.15 0.03 -0.12 0.00 0.00 0.00 0.00 53.44 53.50 3gbu n ALA 136 Cb 0.26 -1.38 -0.10 0.00 0.00 0.00 0.00 19.45 18.23 3gbu n ALA 136 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gbu s ARG 137 N -3.20 0.43 0.41 0.00 1.81 -1.26 -4.94 118.95 112.20 3gbu s ARG 137 Ca 0.06 -0.20 -0.01 0.00 -1.72 0.00 0.00 55.73 53.86 3gbu s ARG 137 Cb 0.10 0.18 -0.02 0.00 -0.45 0.00 0.00 34.95 34.76 3gbu s ARG 137 CO 0.41 -0.10 0.64 -0.80 -0.68 0.00 0.00 175.30 174.77 3gbu s ASN 138 N -0.98 6.11 0.00 0.23 0.02 -1.26 -1.46 114.94 117.60 3gbu s ASN 138 Ca -0.11 0.47 0.24 0.00 -1.02 0.00 0.00 52.86 52.44 3gbu s ASN 138 Cb -0.06 -1.88 1.08 0.00 0.02 0.00 0.00 41.25 40.41 3gbu s ASN 138 CO 0.01 -0.50 1.78 -0.81 0.02 0.00 0.00 177.10 177.60 3gbu n PRO 139 N -1.98 0.10 -0.36 -0.60 -0.04 -1.19 -4.73 135.00 126.20 3gbu n PRO 139 Ca -0.02 0.08 0.06 0.00 -0.04 0.00 0.00 63.50 63.58 3gbu n PRO 139 Cb 0.57 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.75 3gbu n PRO 139 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3gbu h SER 140 N 0.00 0.95 0.59 3.54 0.02 -1.51 0.12 113.55 117.27 3gbu h SER 140 Ca 0.00 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 3gbu h SER 140 Cb 0.36 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3gbu h SER 140 CO 0.00 0.54 -0.40 -0.09 -1.14 0.00 0.00 176.83 175.74 3gbu h ARG 141 N 1.04 -0.91 -0.26 3.45 2.43 -1.39 0.25 114.38 118.99 3gbu h ARG 141 Ca 0.48 0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.77 3gbu h ARG 141 Cb 0.40 0.21 -0.07 0.00 -0.42 0.00 0.00 29.97 30.09 3gbu h ARG 141 CO -0.24 -0.61 -0.20 1.49 -1.51 0.00 0.00 179.97 178.91 3gbu h GLU 142 N -0.94 -0.18 -0.52 0.20 4.57 -1.80 -2.30 114.58 113.61 3gbu h GLU 142 Ca -0.08 0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.20 3gbu h GLU 142 Cb 0.77 0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 29.33 3gbu h GLU 142 CO 0.06 -0.12 0.11 1.15 -1.18 0.00 0.00 179.01 179.03 3gbu h THR 143 N -0.18 0.71 0.00 0.32 2.02 -0.82 -0.15 112.91 114.80 3gbu h THR 143 Ca 0.14 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.24 3gbu h THR 143 Cb 0.40 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 3gbu h THR 143 CO -0.37 0.05 0.00 0.52 0.37 0.00 0.00 175.52 176.08 3gbu n VAL 144 N -5.11 0.34 0.00 3.16 0.31 0.87 -2.02 118.33 115.88 3gbu n VAL 144 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 3gbu n VAL 144 Cb 0.26 -0.62 0.00 0.00 -0.91 0.00 0.00 33.84 32.57 3gbu n VAL 144 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3gbu n LYS 146 N 0.73 0.00 0.03 5.55 5.02 -0.07 -1.38 118.16 128.03 3gbu n LYS 146 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 3gbu n LYS 146 Cb 0.18 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.11 3gbu n LYS 146 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3gbu h VAL 147 N 0.00 1.11 -0.29 -0.18 2.07 -1.66 -1.76 116.25 115.54 3gbu h VAL 147 Ca 0.00 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.19 3gbu h VAL 147 Cb 0.00 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3gbu h VAL 147 CO 0.00 0.09 0.16 0.40 0.02 0.00 0.00 177.57 178.23 3gbu h ILE 148 N -0.15 1.01 -0.93 4.57 1.08 -1.52 -2.09 117.51 119.47 3gbu h ILE 148 Ca -0.00 -0.11 0.01 0.00 -0.39 0.00 0.00 64.86 64.37 3gbu h ILE 148 Cb 0.15 0.66 -0.05 0.00 -3.07 0.00 0.00 36.82 34.51 3gbu h ILE 148 CO 0.00 0.06 0.61 0.11 -0.69 0.00 0.00 178.15 178.24 3gbu h LYS 149 N 0.32 1.23 -0.28 2.37 1.57 -1.80 -1.96 116.57 118.03 3gbu h LYS 149 Ca 0.12 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 3gbu h LYS 149 Cb 0.02 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 3gbu h LYS 149 CO -0.07 0.82 0.06 -0.22 -0.57 0.00 0.00 179.45 179.47 3gbu h LYS 150 N 1.27 0.46 0.00 3.15 3.64 -0.91 -3.16 116.57 121.02 3gbu h LYS 150 Ca 0.34 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3gbu h LYS 150 Cb -0.14 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 3gbu h LYS 150 CO -0.07 0.56 -0.04 0.44 -2.27 0.00 0.00 179.45 178.07 3gbu n ILE 151 N -4.67 0.57 -1.55 2.00 -5.35 -0.82 -4.91 119.36 104.63 3gbu n ILE 151 Ca -0.03 -0.28 -0.55 0.00 -0.27 0.00 0.00 62.75 61.63 3gbu n ILE 151 Cb 0.20 -0.56 -0.07 0.00 -1.74 0.00 0.00 39.64 37.47 3gbu n ILE 151 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 3gbu n LYS 152 N -2.24 0.68 0.00 6.28 3.00 -0.74 -0.54 118.16 124.60 3gbu n LYS 152 Ca 0.05 0.24 0.00 0.00 -0.00 0.00 0.00 58.31 58.61 3gbu n LYS 152 Cb 0.43 -1.82 0.00 0.00 0.00 0.00 0.00 35.03 33.63 3gbu n LYS 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3gbu n GLY 153 N 2.10 2.89 0.11 3.14 0.00 -1.26 -4.77 105.19 107.40 3gbu n GLY 153 Ca 0.19 -0.16 0.04 0.00 0.00 0.00 0.00 46.02 46.09 3gbu n GLY 153 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3gbu h SER 154 N 0.00 0.00 -5.12 1.61 0.02 -1.17 -3.47 113.55 105.42 3gbu h SER 154 Ca 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 3gbu h SER 154 Cb 0.00 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 62.37 3gbu h SER 154 CO 0.00 0.39 -0.62 -0.44 -1.14 0.00 0.00 176.83 175.02 3gbu s SER 155 N -5.72 0.31 0.13 3.07 0.01 -1.15 -4.94 113.70 105.41 3gbu s SER 155 Ca -0.01 -0.71 -0.30 0.00 1.31 0.00 0.00 55.95 56.24 3gbu s SER 155 Cb 0.09 0.19 -0.06 0.00 0.21 0.00 0.00 66.02 66.44 3gbu s SER 155 CO 0.80 -0.50 1.00 -0.76 0.41 0.00 0.00 173.24 174.19 3gbu s LEU 156 N -2.29 4.50 -0.16 2.44 1.43 0.53 -4.74 118.68 120.40 3gbu s LEU 156 Ca -0.03 1.89 -0.06 0.00 -1.03 0.00 0.00 54.13 54.90 3gbu s LEU 156 Cb 0.00 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.59 3gbu s LEU 156 CO -0.06 -0.11 0.04 -0.63 0.23 0.00 0.00 176.35 175.83 3gbu s ILE 157 N -0.09 4.63 -0.06 -0.59 1.01 -1.26 -0.15 121.20 124.69 3gbu s ILE 157 Ca 0.48 -0.10 0.06 0.00 0.00 0.00 0.00 60.65 61.09 3gbu s ILE 157 Cb -0.25 -3.06 -0.01 0.00 0.01 0.00 0.00 42.46 39.15 3gbu s ILE 157 CO 0.31 0.50 -0.24 0.00 0.00 0.00 0.00 174.94 175.51 3gbu s ALA 158 N 0.09 2.20 -0.04 9.38 0.00 0.06 -0.43 121.76 133.01 3gbu s ALA 158 Ca 0.04 -1.04 -0.00 0.00 0.00 0.00 0.00 51.96 50.96 3gbu s ALA 158 Cb -0.12 -0.70 0.03 0.00 0.00 0.00 0.00 23.12 22.32 3gbu s ALA 158 CO 0.01 0.42 0.00 0.12 0.00 0.00 0.00 175.76 176.31 3gbu s PHE 159 N -0.16 0.44 -0.31 0.00 5.36 0.73 -1.82 117.98 122.23 3gbu s PHE 159 Ca -0.03 -0.04 -0.11 0.00 -0.96 0.00 0.00 56.93 55.78 3gbu s PHE 159 Cb -0.14 -0.56 -0.02 0.00 -0.34 0.00 0.00 43.02 41.95 3gbu s PHE 159 CO 0.04 -0.20 0.18 0.34 -1.46 0.00 0.00 175.22 174.12 3gbu s ASP 160 N 1.42 5.79 0.26 6.13 -1.08 -1.26 -0.70 116.67 127.24 3gbu s ASP 160 Ca -0.04 -0.33 -0.01 0.00 -0.52 0.00 0.00 52.55 51.65 3gbu s ASP 160 Cb -0.13 -2.07 0.54 0.00 -1.46 0.00 0.00 42.92 39.80 3gbu s ASP 160 CO -0.03 -0.16 1.77 0.58 0.52 0.00 0.00 175.17 177.85 3gbu h VAL 161 N 5.52 0.74 -6.69 1.11 2.07 -1.42 -3.35 116.25 114.22 3gbu h VAL 161 Ca -0.33 -0.22 -0.17 0.00 0.82 0.00 0.00 66.70 66.79 3gbu h VAL 161 Cb 1.16 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3gbu h VAL 161 CO 0.60 0.12 -0.32 -3.20 0.02 0.00 0.00 177.57 174.79 3gbu n ASN 162 N -4.85 -1.31 -4.70 0.57 5.15 -1.26 -4.67 115.26 104.18 3gbu n ASN 162 Ca 0.17 -0.37 -0.42 0.00 -0.60 0.00 0.00 54.58 53.37 3gbu n ASN 162 Cb 0.43 -0.48 -0.03 0.00 -0.53 0.00 0.00 39.78 39.17 3gbu n ASN 162 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3gbu s LEU 163 N -4.77 4.35 -0.43 1.20 2.96 -1.26 -4.46 118.68 116.27 3gbu s LEU 163 Ca 0.10 2.19 0.02 0.00 -0.22 0.00 0.00 54.13 56.22 3gbu s LEU 163 Cb -0.06 -3.57 0.13 0.00 0.50 0.00 0.00 46.19 43.19 3gbu s LEU 163 CO 0.29 -0.65 0.23 -0.13 -1.32 0.00 0.00 176.35 174.77 3gbu s ARG 164 N 1.62 1.23 0.26 1.98 1.81 -1.26 -5.00 118.95 119.59 3gbu s ARG 164 Ca 0.63 -1.95 -0.02 0.00 -1.72 0.00 0.00 55.73 52.68 3gbu s ARG 164 Cb -0.33 -2.27 0.48 0.00 -0.45 0.00 0.00 34.95 32.37 3gbu s ARG 164 CO 0.29 -1.16 1.80 -0.07 -0.68 0.00 0.00 175.30 175.48 3gbu h LEU 165 N 6.77 0.71 -2.43 2.53 3.38 -1.99 -1.04 115.31 123.24 3gbu h LEU 165 Ca -0.01 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3gbu h LEU 165 Cb 0.93 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 3gbu h LEU 165 CO 0.47 0.37 0.15 0.44 0.09 0.00 0.00 178.44 179.96 3gbu h ASP 166 N 0.80 0.00 0.42 -0.43 3.32 -2.00 0.54 116.42 119.08 3gbu h ASP 166 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 3gbu h ASP 166 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3gbu h ASP 166 CO -0.28 0.00 -0.05 0.18 -1.72 0.00 0.00 179.24 177.36 3gbu n LEU 167 N -3.41 0.23 -0.06 1.55 4.77 -0.39 -3.74 117.00 115.95 3gbu n LEU 167 Ca -0.01 0.13 0.02 0.00 -0.03 0.00 0.00 56.01 56.11 3gbu n LEU 167 Cb 0.24 -0.21 0.02 0.00 -2.33 0.00 0.00 43.42 41.14 3gbu n LEU 167 CO 0.22 0.04 0.41 0.79 -1.33 0.00 0.00 177.39 177.53 3gbu n TRP 168 N -1.10 0.00 -1.66 -1.77 7.02 0.16 -4.84 117.44 115.25 3gbu n TRP 168 Ca 0.15 -0.38 -0.46 0.00 -1.02 0.00 0.00 57.50 55.79 3gbu n TRP 168 Cb 0.25 -0.05 -0.03 0.00 -2.42 0.00 0.00 31.31 29.05 3gbu n TRP 168 CO 0.00 0.00 0.00 2.89 -2.02 0.00 0.00 177.69 178.56 3gbu n ARG 169 N -0.44 1.93 -0.91 -0.99 1.85 -1.10 -0.50 116.66 116.50 3gbu n ARG 169 Ca 0.02 0.69 0.00 0.00 -1.00 0.00 0.00 57.85 57.56 3gbu n ARG 169 Cb 0.43 -2.36 0.00 0.00 -1.05 0.00 0.00 32.46 29.47 3gbu n ARG 169 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3gbu n GLY 170 N 2.52 0.66 1.56 2.89 0.00 -1.26 -4.82 105.19 106.75 3gbu n GLY 170 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 3gbu n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gbu n GLN 171 N -2.65 0.40 -0.20 1.61 10.64 0.35 -4.96 117.38 122.56 3gbu n GLN 171 Ca 0.00 -1.43 0.05 0.00 -1.83 0.00 0.00 57.00 53.79 3gbu n GLN 171 Cb 0.00 0.23 0.32 0.00 -0.86 0.00 0.00 30.24 29.93 3gbu n GLN 171 CO 0.00 0.00 0.00 1.05 -1.83 0.00 0.00 177.06 176.28 3gbu h GLU 172 N 0.59 0.81 0.10 2.61 9.09 -1.83 -2.59 114.58 123.37 3gbu h GLU 172 Ca -0.45 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 58.92 3gbu h GLU 172 Cb 1.48 -0.18 -0.01 0.00 -1.65 0.00 0.00 28.75 28.38 3gbu h GLU 172 CO -0.16 0.54 -0.10 0.93 0.05 0.00 0.00 179.01 180.27 3gbu h GLU 173 N 0.84 -0.22 -1.85 1.06 5.08 -1.93 -0.62 114.58 116.94 3gbu h GLU 173 Ca 0.31 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3gbu h GLU 173 Cb 0.17 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3gbu h GLU 173 CO -0.10 -0.15 0.00 -1.91 -1.00 0.00 0.00 179.01 175.85 3gbu n GLU 174 N -5.22 0.00 0.00 2.33 4.07 -0.98 -2.01 120.64 118.83 3gbu n GLU 174 Ca -0.07 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.03 3gbu n GLU 174 Cb 0.14 -1.34 0.00 0.00 -0.06 0.00 0.00 31.44 30.18 3gbu n GLU 174 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 3gbu n ILE 176 N 0.96 0.00 0.28 6.31 2.08 -0.24 -0.73 119.36 128.02 3gbu n ILE 176 Ca 0.00 0.00 -0.16 0.00 0.56 0.00 0.00 62.75 63.15 3gbu n ILE 176 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 39.64 38.81 3gbu n ILE 176 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 3gbu h LYS 177 N 0.00 -0.65 -0.69 0.38 1.57 -1.68 -0.59 116.57 114.90 3gbu h LYS 177 Ca 0.00 0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.90 3gbu h LYS 177 Cb 0.00 0.15 -0.06 0.00 0.08 0.00 0.00 32.23 32.40 3gbu h LYS 177 CO 0.00 -0.40 0.37 0.28 -0.57 0.00 0.00 179.45 179.13 3gbu h VAL 178 N -0.74 0.92 -0.07 0.50 2.07 -1.21 0.13 116.25 117.84 3gbu h VAL 178 Ca -0.07 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 3gbu h VAL 178 Cb 0.55 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3gbu h VAL 178 CO 0.11 0.12 -0.05 -0.07 0.02 0.00 0.00 177.57 177.70 3gbu h LEU 179 N 0.66 0.16 -0.68 2.57 3.38 -1.79 -0.22 115.31 119.38 3gbu h LEU 179 Ca 0.32 -0.46 0.07 0.00 0.09 0.00 0.00 57.88 57.91 3gbu h LEU 179 Cb 0.27 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 3gbu h LEU 179 CO -0.22 0.58 0.37 -0.08 0.09 0.00 0.00 178.44 179.18 3gbu h GLU 180 N -0.26 0.64 -0.58 1.13 4.81 -0.87 0.15 114.58 119.60 3gbu h GLU 180 Ca 0.01 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 3gbu h GLU 180 Cb 0.53 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 3gbu h GLU 180 CO 0.01 0.43 0.10 1.49 -0.73 0.00 0.00 179.01 180.31 3gbu h GLU 181 N 0.66 0.92 0.00 1.92 4.81 -0.66 -2.13 114.58 120.11 3gbu h GLU 181 Ca 0.31 -0.22 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3gbu h GLU 181 Cb 0.24 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3gbu h GLU 181 CO -0.21 0.85 -0.00 0.77 -0.73 0.00 0.00 179.01 179.69 3gbu h SER 182 N 0.87 -0.00 -0.35 1.04 0.02 0.12 -3.01 113.55 112.24 3gbu h SER 182 Ca 0.18 -0.32 0.07 0.00 -0.84 0.00 0.00 61.79 60.88 3gbu h SER 182 Cb 0.37 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.84 3gbu h SER 182 CO 0.01 0.32 -0.13 0.40 -1.14 0.00 0.00 176.83 176.28 3gbu h ILE 183 N -0.33 0.55 0.00 3.27 2.04 -0.64 -0.19 117.51 122.22 3gbu h ILE 183 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3gbu h ILE 183 Cb 0.32 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3gbu h ILE 183 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.44 3gbu n LYS 184 N -5.32 0.13 0.01 2.37 5.02 -0.81 -1.01 118.16 118.55 3gbu n LYS 184 Ca 0.01 0.63 0.11 0.00 -2.02 0.00 0.00 58.31 57.04 3gbu n LYS 184 Cb 0.23 -1.94 -0.13 0.00 -0.02 0.00 0.00 35.03 33.18 3gbu n LYS 184 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3gbu n LEU 185 N -2.22 0.22 -4.75 -0.35 4.77 -0.13 -4.95 117.00 109.58 3gbu n LEU 185 Ca -0.01 0.04 -0.40 0.00 -0.03 0.00 0.00 56.01 55.61 3gbu n LEU 185 Cb 0.03 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.06 3gbu n LEU 185 CO 0.09 -0.02 0.49 0.00 -1.33 0.00 0.00 177.39 176.61 3gbu s ALA 186 N -3.46 3.39 -0.03 -1.18 0.00 -0.18 -4.73 121.76 115.57 3gbu s ALA 186 Ca -0.05 0.33 0.04 0.00 0.00 0.00 0.00 51.96 52.28 3gbu s ALA 186 Cb 0.13 -3.00 -0.25 0.00 0.00 0.00 0.00 23.12 20.00 3gbu s ALA 186 CO 0.88 0.13 0.71 -0.44 0.00 0.00 0.00 175.76 177.05 3gbu h ASP 187 N 5.23 0.18 -3.66 0.00 3.32 -1.04 -2.86 116.42 117.59 3gbu h ASP 187 Ca -0.45 -0.32 -0.67 0.00 0.02 0.00 0.00 57.03 55.61 3gbu h ASP 187 Cb 1.21 -0.06 -0.37 0.00 0.22 0.00 0.00 39.33 40.33 3gbu h ASP 187 CO 0.69 1.28 -0.81 -0.63 -1.72 0.00 0.00 179.24 178.05 3gbu s ILE 188 N -2.61 2.10 -0.11 0.35 1.01 -0.47 -0.88 121.20 120.59 3gbu s ILE 188 Ca -0.09 -1.44 0.02 0.00 0.00 0.00 0.00 60.65 59.14 3gbu s ILE 188 Cb 0.08 -2.15 -0.01 0.00 0.01 0.00 0.00 42.46 40.39 3gbu s ILE 188 CO 0.82 0.10 -0.17 -0.69 0.00 0.00 0.00 174.94 175.01 3gbu s VAL 189 N 1.17 2.71 0.01 2.92 1.01 -0.65 -0.19 120.40 127.37 3gbu s VAL 189 Ca -0.05 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.20 3gbu s VAL 189 Cb -0.18 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 3gbu s VAL 189 CO -0.07 0.54 -0.20 -0.75 0.00 0.00 0.00 175.10 174.62 3gbu s LYS 190 N 0.24 2.13 -0.10 2.72 2.20 0.12 -0.49 119.74 126.56 3gbu s LYS 190 Ca -0.11 -0.93 -0.30 0.00 -0.36 0.00 0.00 55.97 54.27 3gbu s LYS 190 Cb -0.16 -2.17 0.11 0.00 -1.51 0.00 0.00 37.83 34.11 3gbu s LYS 190 CO 0.06 0.56 0.92 0.00 -0.36 0.00 0.00 175.35 176.53 3gbu s ALA 191 N -0.80 -1.88 0.46 3.13 0.00 -0.53 -0.94 121.76 121.21 3gbu s ALA 191 Ca 0.12 1.39 -0.10 0.00 0.00 0.00 0.00 51.96 53.37 3gbu s ALA 191 Cb -0.10 -0.30 -0.06 0.00 0.00 0.00 0.00 23.12 22.66 3gbu s ALA 191 CO 0.02 -0.42 0.83 -1.54 0.00 0.00 0.00 175.76 174.65 3gbu s SER 192 N -1.50 6.44 0.29 0.00 1.04 -1.26 -0.77 113.70 117.94 3gbu s SER 192 Ca -0.01 1.18 0.01 0.00 0.48 0.00 0.00 55.95 57.61 3gbu s SER 192 Cb -0.01 -2.35 0.55 0.00 0.10 0.00 0.00 66.02 64.32 3gbu s SER 192 CO -0.00 -0.52 1.87 1.05 0.98 0.00 0.00 173.24 176.62 3gbu h GLU 193 N 0.80 0.97 -0.26 4.02 4.11 -1.53 -1.06 114.58 121.64 3gbu h GLU 193 Ca -0.47 -0.06 0.05 0.00 0.07 0.00 0.00 59.36 58.95 3gbu h GLU 193 Cb 1.19 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 30.17 3gbu h GLU 193 CO 0.63 0.64 -0.05 0.93 0.07 0.00 0.00 179.01 181.23 3gbu h GLU 194 N 1.00 0.01 -0.86 1.06 3.07 -1.93 0.04 114.58 116.98 3gbu h GLU 194 Ca 0.45 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.30 3gbu h GLU 194 Cb 0.39 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.25 3gbu h GLU 194 CO -0.21 0.01 0.49 0.93 -1.40 0.00 0.00 179.01 178.82 3gbu h GLU 195 N 0.01 1.19 -0.22 2.33 5.08 -1.67 0.04 114.58 121.34 3gbu h GLU 195 Ca 0.12 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3gbu h GLU 195 Cb 0.18 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3gbu h GLU 195 CO -0.25 0.86 0.09 0.28 -1.00 0.00 0.00 179.01 178.99 3gbu h VAL 196 N 1.19 0.97 0.90 3.13 2.07 -0.42 -0.70 116.25 123.40 3gbu h VAL 196 Ca 0.30 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.71 3gbu h VAL 196 Cb 0.00 0.74 0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3gbu h VAL 196 CO -0.05 0.04 -0.43 0.25 0.02 0.00 0.00 177.57 177.39 3gbu h LEU 197 N 0.21 -1.03 -0.81 2.57 5.85 -0.52 -1.80 115.31 119.79 3gbu h LEU 197 Ca 0.09 0.03 0.19 0.00 0.84 0.00 0.00 57.88 59.03 3gbu h LEU 197 Cb 0.04 0.27 -0.12 0.00 0.37 0.00 0.00 40.66 41.22 3gbu h LEU 197 CO -0.08 -0.72 0.25 0.22 -0.34 0.00 0.00 178.44 177.77 3gbu h TYR 198 N -1.24 0.39 -0.13 1.25 3.20 -0.91 -2.00 116.97 117.54 3gbu h TYR 198 Ca -0.12 0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.68 3gbu h TYR 198 Cb 0.93 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.16 3gbu h TYR 198 CO -0.01 -0.09 -0.36 -0.07 -1.64 0.00 0.00 178.16 176.00 3gbu h LEU 199 N 0.30 0.53 -1.86 2.82 3.38 -1.05 -3.16 115.31 116.27 3gbu h LEU 199 Ca 0.48 -0.59 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3gbu h LEU 199 Cb 0.86 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 3gbu h LEU 199 CO -0.54 1.03 -0.02 -0.33 0.09 0.00 0.00 178.44 178.68 3gbu h GLU 200 N 0.06 0.06 0.00 1.13 5.08 -0.97 0.40 114.58 120.34 3gbu h GLU 200 Ca -0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3gbu h GLU 200 Cb 0.98 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.22 3gbu h GLU 200 CO 0.08 0.09 0.00 -1.71 -1.00 0.00 0.00 179.01 176.46 3gbu n ASN 201 N -4.48 0.00 -0.40 1.42 2.85 -0.78 -0.83 115.26 113.05 3gbu n ASN 201 Ca -0.02 -0.12 0.04 0.00 -0.11 0.00 0.00 54.58 54.37 3gbu n ASN 201 Cb 0.13 -0.18 0.08 0.00 1.24 0.00 0.00 39.78 41.05 3gbu n ASN 201 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3gbu n GLN 202 N -1.18 1.96 -1.22 1.20 1.13 0.14 -4.95 117.38 114.45 3gbu n GLN 202 Ca 0.08 -1.58 0.00 0.00 -1.94 0.00 0.00 57.00 53.57 3gbu n GLN 202 Cb 0.09 -1.18 0.00 0.00 0.11 0.00 0.00 30.24 29.27 3gbu n GLN 202 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3gbu n GLY 203 N 0.29 0.38 3.37 1.08 0.00 -0.01 -5.03 105.19 105.27 3gbu n GLY 203 Ca 0.07 -1.05 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 3gbu n GLY 203 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gbu s VAL 204 N -2.00 3.32 -0.31 1.61 1.01 -0.83 -4.99 120.40 118.21 3gbu s VAL 204 Ca 0.00 -0.54 -0.18 0.00 0.00 0.00 0.00 61.98 61.26 3gbu s VAL 204 Cb 0.00 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 3gbu s VAL 204 CO 0.00 0.48 0.50 -0.70 0.00 0.00 0.00 175.10 175.39 3gbu s GLU 205 N 0.75 3.82 -0.85 2.72 2.12 -1.26 -2.41 118.70 123.59 3gbu s GLU 205 Ca -0.04 0.03 -0.22 0.00 0.36 0.00 0.00 54.97 55.11 3gbu s GLU 205 Cb -0.15 -3.74 0.08 0.00 0.26 0.00 0.00 34.13 30.58 3gbu s GLU 205 CO 0.02 -0.51 1.18 0.08 -0.54 0.00 0.00 175.26 175.49 3gbu s VAL 206 N 2.35 4.28 -0.18 3.70 1.01 -1.26 -4.92 120.40 125.36 3gbu s VAL 206 Ca 0.19 -0.76 -0.16 0.00 0.00 0.00 0.00 61.98 61.25 3gbu s VAL 206 Cb -0.15 -4.84 0.05 0.00 0.00 0.00 0.00 36.38 31.43 3gbu s VAL 206 CO 0.12 -1.65 0.49 -0.54 0.00 0.00 0.00 175.10 173.52 3gbu s LYS 207 N 4.06 0.56 0.05 2.72 1.02 -1.26 -5.04 119.74 121.85 3gbu s LYS 207 Ca 0.33 0.69 -0.07 0.00 0.02 0.00 0.00 55.97 56.94 3gbu s LYS 207 Cb -0.08 0.25 -0.05 0.00 -0.52 0.00 0.00 37.83 37.44 3gbu s LYS 207 CO -0.01 -0.08 0.32 0.20 -0.92 0.00 0.00 175.35 174.87 3gbu s GLY 208 N 0.36 2.28 0.00 -3.33 0.00 -1.26 -4.73 107.32 100.63 3gbu s GLY 208 Ca -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 44.72 44.19 3gbu s GLY 208 CO -0.01 -0.34 0.28 -1.14 0.00 0.00 0.00 173.10 171.90 3gbu n SER 209 N 0.89 0.03 -4.78 1.64 3.41 -1.08 -4.55 113.62 109.17 3gbu n SER 209 Ca -0.09 -0.59 -0.36 0.00 -0.26 0.00 0.00 58.87 57.57 3gbu n SER 209 Cb 0.52 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.43 3gbu n SER 209 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3gbu s LEU 211 N -0.90 3.95 -0.02 1.04 2.96 -0.06 -4.92 118.68 120.73 3gbu s LEU 211 Ca 0.00 2.08 0.03 0.00 -0.22 0.00 0.00 54.13 56.02 3gbu s LEU 211 Cb 0.00 -4.39 -0.00 0.00 0.50 0.00 0.00 46.19 42.30 3gbu s LEU 211 CO 0.00 -0.80 -0.11 -0.89 -1.32 0.00 0.00 176.35 173.23 3gbu s THR 212 N -1.76 0.94 -0.22 3.68 2.01 -0.85 -1.63 115.64 117.80 3gbu s THR 212 Ca 0.65 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 62.17 3gbu s THR 212 Cb -0.22 -0.81 0.06 0.00 0.01 0.00 0.00 72.50 71.54 3gbu s THR 212 CO 0.26 0.28 -0.06 0.00 -0.69 0.00 0.00 174.62 174.41 3gbu s ALA 213 N -0.05 1.90 -0.29 7.40 0.00 0.36 -1.10 121.76 129.98 3gbu s ALA 213 Ca 0.01 -1.27 -0.10 0.00 0.00 0.00 0.00 51.96 50.59 3gbu s ALA 213 Cb -0.07 -1.38 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 3gbu s ALA 213 CO 0.00 -1.11 0.15 0.42 0.00 0.00 0.00 175.76 175.22 3gbu s ILE 214 N 1.43 4.83 0.22 0.00 -1.09 -0.06 -1.45 121.20 125.08 3gbu s ILE 214 Ca -0.05 -0.14 -0.24 0.00 -2.23 0.00 0.00 60.65 58.00 3gbu s ILE 214 Cb -0.18 -3.36 -0.09 0.00 -1.58 0.00 0.00 42.46 37.26 3gbu s ILE 214 CO -0.07 0.19 0.80 0.42 -1.23 0.00 0.00 174.94 175.06 3gbu s THR 215 N 1.67 4.39 -0.26 2.92 -4.23 0.05 -0.48 115.64 119.71 3gbu s THR 215 Ca 0.06 1.60 0.10 0.00 -1.18 0.00 0.00 61.69 62.27 3gbu s THR 215 Cb -0.16 -4.02 0.45 0.00 1.34 0.00 0.00 72.50 70.11 3gbu s THR 215 CO 0.08 0.33 1.19 0.18 -0.54 0.00 0.00 174.62 175.85 3gbu n LEU 216 N 1.06 3.93 0.00 4.79 4.77 0.36 -1.32 117.00 130.59 3gbu n LEU 216 Ca -0.03 -4.28 0.00 0.00 -0.03 0.00 0.00 56.01 51.67 3gbu n LEU 216 Cb 0.50 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3gbu n LEU 216 CO 0.45 1.78 0.00 0.61 -1.33 0.00 0.00 177.39 178.90 3gbu n GLY 217 N -0.75 0.18 0.35 -0.72 0.00 -1.24 -3.07 105.19 99.94 3gbu n GLY 217 Ca 0.33 -0.95 0.18 0.00 0.00 0.00 0.00 46.02 45.58 3gbu n GLY 217 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gbu h PRO 218 N 0.00 0.00 0.29 1.61 0.11 -2.03 -1.79 132.00 130.19 3gbu h PRO 218 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 3gbu h PRO 218 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3gbu h PRO 218 CO 0.00 0.00 -0.20 0.87 -0.21 0.00 0.00 178.00 178.46 3gbu h LYS 219 N 0.00 -0.47 0.00 1.05 1.57 -1.96 -3.42 116.57 113.33 3gbu h LYS 219 Ca 0.07 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3gbu h LYS 219 Cb 0.68 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.09 3gbu h LYS 219 CO -0.00 -0.31 0.00 0.41 -0.57 0.00 0.00 179.45 178.97 3gbu n GLY 220 N -1.33 -0.31 1.43 3.86 0.00 -0.67 -0.98 105.19 107.18 3gbu n GLY 220 Ca -0.09 -1.23 -0.12 0.00 0.00 0.00 0.00 46.02 44.57 3gbu n GLY 220 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3gbu n PHE 221 N 9.00 0.27 -3.71 1.61 1.16 -1.05 0.13 117.46 124.87 3gbu n PHE 221 Ca 0.00 -1.05 -0.12 0.00 -1.87 0.00 0.00 57.45 54.42 3gbu n PHE 221 Cb 0.00 -0.07 -0.10 0.00 -1.61 0.00 0.00 39.48 37.70 3gbu n PHE 221 CO 0.00 0.00 0.00 0.50 -1.87 0.00 0.00 176.76 175.39 3gbu s ARG 222 N -2.69 0.48 -0.03 3.97 3.52 0.37 -1.71 118.95 122.86 3gbu s ARG 222 Ca 0.04 0.72 0.03 0.00 -0.13 0.00 0.00 55.73 56.39 3gbu s ARG 222 Cb 0.00 0.14 -0.03 0.00 -1.56 0.00 0.00 34.95 33.50 3gbu s ARG 222 CO 0.03 -0.11 -0.10 -0.51 -0.81 0.00 0.00 175.30 173.80 3gbu s LEU 223 N 0.77 2.99 -0.18 -0.88 1.43 -0.12 -0.88 118.68 121.80 3gbu s LEU 223 Ca -0.04 -0.15 -0.00 0.00 -1.03 0.00 0.00 54.13 52.91 3gbu s LEU 223 Cb -0.05 -1.67 0.04 0.00 0.03 0.00 0.00 46.19 44.54 3gbu s LEU 223 CO -0.06 0.32 -0.06 -0.63 0.23 0.00 0.00 176.35 176.15 3gbu s ILE 224 N -0.86 1.27 -0.21 -0.59 1.01 -0.26 -0.98 121.20 120.58 3gbu s ILE 224 Ca 0.14 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 60.02 3gbu s ILE 224 Cb -0.11 -1.44 0.04 0.00 0.01 0.00 0.00 42.46 40.96 3gbu s ILE 224 CO 0.03 0.10 -0.16 -0.75 0.00 0.00 0.00 174.94 174.16 3gbu s LYS 225 N 1.55 2.64 2.68 2.79 2.20 0.64 -2.02 119.74 130.22 3gbu s LYS 225 Ca -0.01 -1.04 0.00 0.00 -0.36 0.00 0.00 55.97 54.56 3gbu s LYS 225 Cb -0.16 -2.69 0.00 0.00 -1.51 0.00 0.00 37.83 33.47 3gbu s LYS 225 CO -0.08 -0.37 0.00 0.09 -0.36 0.00 0.00 175.35 174.64 3gbu n ASN 226 N 4.55 0.00 -0.00 1.43 5.03 -1.26 0.13 115.26 125.13 3gbu n ASN 226 Ca -0.18 0.00 0.07 0.00 0.87 0.00 0.00 54.58 55.34 3gbu n ASN 226 Cb 0.47 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.14 3gbu n ASN 226 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 3gbu n GLU 227 N 0.00 2.11 -2.38 3.52 0.00 -1.26 -4.96 120.64 117.67 3gbu n GLU 227 Ca 0.00 -0.01 -0.42 0.00 0.00 0.00 0.00 57.16 56.72 3gbu n GLU 227 Cb 0.00 -1.19 -0.03 0.00 0.00 0.00 0.00 31.44 30.22 3gbu n GLU 227 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 3gbu s THR 228 N -2.41 4.13 -0.13 6.31 2.01 0.34 -5.03 115.64 120.86 3gbu s THR 228 Ca 0.04 1.43 0.03 0.00 0.31 0.00 0.00 61.69 63.50 3gbu s THR 228 Cb 0.11 -3.92 0.01 0.00 0.01 0.00 0.00 72.50 68.70 3gbu s THR 228 CO 0.59 -0.05 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.58 3gbu s VAL 229 N 2.73 1.91 -0.11 3.82 1.01 -1.26 -0.26 120.40 128.24 3gbu s VAL 229 Ca 0.58 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 3gbu s VAL 229 Cb -0.25 -1.69 0.02 0.00 0.00 0.00 0.00 36.38 34.45 3gbu s VAL 229 CO 0.21 0.52 -0.08 -0.69 0.00 0.00 0.00 175.10 175.06 3gbu s VAL 230 N 0.78 1.02 0.05 2.92 1.01 -0.16 -4.99 120.40 121.03 3gbu s VAL 230 Ca -0.09 -0.30 -0.19 0.00 0.00 0.00 0.00 61.98 61.40 3gbu s VAL 230 Cb -0.16 -1.03 -0.06 0.00 0.00 0.00 0.00 36.38 35.13 3gbu s VAL 230 CO -0.00 0.36 0.55 -1.81 0.00 0.00 0.00 175.10 174.21 3gbu s ASP 231 N 1.61 7.02 -0.30 3.32 -0.00 -1.26 -0.95 116.67 126.11 3gbu s ASP 231 Ca 0.03 1.21 0.01 0.00 -0.00 0.00 0.00 52.55 53.80 3gbu s ASP 231 Cb -0.13 -2.35 0.09 0.00 -0.00 0.00 0.00 42.92 40.53 3gbu s ASP 231 CO -0.07 0.25 0.05 -0.69 -0.00 0.00 0.00 175.17 174.71 3gbu s VAL 232 N -0.94 1.42 0.55 -1.27 1.01 -0.70 -4.99 120.40 115.47 3gbu s VAL 232 Ca 0.29 -1.60 -0.21 0.00 0.00 0.00 0.00 61.98 60.45 3gbu s VAL 232 Cb -0.19 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 3gbu s VAL 232 CO 0.18 -0.50 1.29 -2.16 0.00 0.00 0.00 175.10 173.91 3gbu s PRO 233 N 1.37 3.18 0.32 2.72 0.04 -1.26 -2.53 135.00 138.84 3gbu s PRO 233 Ca 0.06 2.07 -0.28 0.00 0.04 0.00 0.00 61.00 62.89 3gbu s PRO 233 Cb -0.18 -2.20 -0.09 0.00 0.04 0.00 0.00 34.50 32.07 3gbu s PRO 233 CO -0.15 -1.11 1.07 -1.12 0.04 0.00 0.00 177.00 175.73 3gbu s SER 234 N -1.17 7.12 0.87 6.66 0.01 -0.16 -4.91 113.70 122.12 3gbu s SER 234 Ca 0.72 2.17 -0.11 0.00 1.31 0.00 0.00 55.95 60.04 3gbu s SER 234 Cb -0.36 -2.61 0.11 0.00 0.21 0.00 0.00 66.02 63.37 3gbu s SER 234 CO 0.42 -0.24 1.10 -0.31 0.41 0.00 0.00 173.24 174.62 3gbu s TYR 235 N -1.33 2.25 0.01 2.43 2.02 -1.26 -4.97 117.35 116.49 3gbu s TYR 235 Ca 0.49 1.46 -0.27 0.00 -0.37 0.00 0.00 57.07 58.38 3gbu s TYR 235 Cb -0.28 -3.14 -0.04 0.00 -0.40 0.00 0.00 41.96 38.10 3gbu s TYR 235 CO 0.36 -2.32 0.86 -0.80 -1.57 0.00 0.00 175.55 172.08 3gbu s ASN 236 N -3.23 7.26 0.03 2.29 0.01 -1.26 -5.01 114.94 115.03 3gbu s ASN 236 Ca 0.63 1.52 -0.22 0.00 -0.71 0.00 0.00 52.86 54.09 3gbu s ASN 236 Cb -0.19 -2.51 0.05 0.00 0.41 0.00 0.00 41.25 39.01 3gbu s ASN 236 CO 0.57 -0.13 0.50 0.68 -1.51 0.00 0.00 177.10 177.21 3gbu s VAL 237 N 0.54 0.03 -1.07 1.60 -7.23 -1.26 -5.07 120.40 107.94 3gbu s VAL 237 Ca 0.45 -0.28 -0.06 0.00 -1.81 0.00 0.00 61.98 60.28 3gbu s VAL 237 Cb -0.20 -0.94 0.29 0.00 0.56 0.00 0.00 36.38 36.08 3gbu s VAL 237 CO 0.25 -0.15 1.23 0.59 -0.31 0.00 0.00 175.10 176.70 3gbu n ASN 238 N 0.56 5.73 -3.64 4.85 4.13 -1.26 -5.02 115.26 120.61 3gbu n ASN 238 Ca -0.19 -3.22 -0.51 0.00 1.68 0.00 0.00 54.58 52.35 3gbu n ASN 238 Cb 0.59 -1.28 -0.07 0.00 -1.54 0.00 0.00 39.78 37.48 3gbu n ASN 238 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 3gbu n PRO 239 N 2.00 0.00 -0.08 3.52 -0.02 -1.26 -4.91 135.00 134.26 3gbu n PRO 239 Ca 0.25 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.50 3gbu n PRO 239 Cb 0.36 -1.17 -0.12 0.00 -0.02 0.00 0.00 33.50 32.55 3gbu n PRO 239 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3gbu n LEU 240 N 2.45 2.31 -3.59 2.45 7.94 0.20 -4.95 117.00 123.81 3gbu n LEU 240 Ca 0.21 0.25 -0.00 0.00 -1.11 0.00 0.00 56.01 55.36 3gbu n LEU 240 Cb -0.01 -0.99 -0.04 0.00 0.53 0.00 0.00 43.42 42.92 3gbu n LEU 240 CO 0.62 0.63 0.27 -0.62 -1.11 0.00 0.00 177.39 177.18 3gbu s ASP 241 N -6.98 -1.15 -0.01 1.96 2.15 -0.71 -5.04 116.67 106.89 3gbu s ASP 241 Ca -0.29 1.48 0.20 0.00 0.43 0.00 0.00 52.55 54.36 3gbu s ASP 241 Cb 0.08 2.27 0.58 0.00 -0.30 0.00 0.00 42.92 45.55 3gbu s ASP 241 CO 0.64 -0.22 1.48 0.35 -0.17 0.00 0.00 175.17 177.25 3gbu n THR 242 N 5.43 0.93 -0.17 1.71 -2.24 -1.26 -4.22 114.28 114.46 3gbu n THR 242 Ca -0.11 -0.88 -0.03 0.00 -2.27 0.00 0.00 64.05 60.76 3gbu n THR 242 Cb 0.49 0.40 0.04 0.00 -2.10 0.00 0.00 70.33 69.16 3gbu n THR 242 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3gbu h THR 243 N 3.78 0.49 -0.06 4.28 2.02 -1.89 -2.14 112.91 119.38 3gbu h THR 243 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3gbu h THR 243 Cb 0.91 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 3gbu h THR 243 CO 0.02 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.52 3gbu n GLY 244 N -1.37 -0.17 0.25 2.16 0.00 -1.12 -4.39 105.19 100.55 3gbu n GLY 244 Ca 0.05 -0.36 0.02 0.00 0.00 0.00 0.00 46.02 45.73 3gbu n GLY 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gbu h ALA 245 N 4.12 0.82 -0.08 4.61 0.00 -1.70 0.40 119.26 127.43 3gbu h ALA 245 Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3gbu h ALA 245 Cb 0.37 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3gbu h ALA 245 CO 0.00 -0.28 0.00 0.78 0.00 0.00 0.00 179.25 179.75 3gbu h GLY 246 N 0.31 0.07 2.00 0.00 0.00 -1.78 0.18 103.07 103.85 3gbu h GLY 246 Ca 0.35 0.01 -0.14 0.00 0.00 0.00 0.00 47.33 47.55 3gbu h GLY 246 CO -0.41 -0.01 -0.65 -0.55 0.00 0.00 0.00 176.54 174.92 3gbu h ASP 247 N 0.03 0.00 -0.15 0.19 3.32 -1.80 -3.00 116.42 115.01 3gbu h ASP 247 Ca 0.04 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 3gbu h ASP 247 Cb 0.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3gbu h ASP 247 CO -0.06 0.65 0.01 0.00 -1.72 0.00 0.00 179.24 178.11 3gbu h ALA 248 N 1.35 0.21 0.00 3.45 0.00 -0.71 0.20 119.26 123.76 3gbu h ALA 248 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3gbu h ALA 248 Cb 1.24 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3gbu h ALA 248 CO 0.08 -0.11 0.00 0.34 0.00 0.00 0.00 179.25 179.57 3gbu n PHE 249 N -4.77 0.00 0.00 0.00 7.35 0.60 -0.81 117.46 119.84 3gbu n PHE 249 Ca -0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.64 3gbu n PHE 249 Cb 0.20 -0.01 0.00 0.00 0.35 0.00 0.00 39.48 40.03 3gbu n PHE 249 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3gbu n ALA 251 N 0.42 0.00 -0.14 3.13 0.00 0.71 -0.96 120.51 123.67 3gbu n ALA 251 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3gbu n ALA 251 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 3gbu n ALA 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gbu h ALA 252 N 0.00 0.56 -0.87 0.00 0.00 -1.22 -1.52 119.26 116.21 3gbu h ALA 252 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.97 3gbu h ALA 252 Cb 0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 3gbu h ALA 252 CO 0.00 -0.06 0.54 1.25 0.00 0.00 0.00 179.25 180.98 3gbu h LEU 253 N 0.52 0.84 -0.45 0.00 5.85 -1.29 0.37 115.31 121.15 3gbu h LEU 253 Ca 0.18 0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.77 3gbu h LEU 253 Cb 0.02 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 3gbu h LEU 253 CO -0.09 0.52 -0.74 -0.07 -0.34 0.00 0.00 178.44 177.73 3gbu h LEU 254 N 0.97 0.00 -0.02 2.25 3.38 -1.76 -2.43 115.31 117.70 3gbu h LEU 254 Ca 0.39 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.13 3gbu h LEU 254 Cb 0.21 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.98 3gbu h LEU 254 CO -0.19 0.74 -0.88 0.58 0.09 0.00 0.00 178.44 178.78 3gbu h VAL 255 N 0.00 1.32 -0.39 1.22 2.07 -0.59 -2.48 116.25 117.40 3gbu h VAL 255 Ca -0.01 -2.15 -0.00 0.00 0.82 0.00 0.00 66.70 65.36 3gbu h VAL 255 Cb 1.35 2.38 -0.02 0.00 -1.52 0.00 0.00 31.29 33.48 3gbu h VAL 255 CO 0.10 0.66 0.23 1.23 0.02 0.00 0.00 177.57 179.80 3gbu h GLY 256 N 0.28 0.57 1.00 2.17 0.00 -0.28 -0.89 103.07 105.92 3gbu h GLY 256 Ca -0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 3gbu h GLY 256 CO 0.17 0.23 0.35 -2.22 0.00 0.00 0.00 176.54 175.08 3gbu h ILE 257 N 0.51 1.21 -0.46 2.60 2.04 -1.49 0.31 117.51 122.23 3gbu h ILE 257 Ca 0.14 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 3gbu h ILE 257 Cb 0.01 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 3gbu h ILE 257 CO -0.03 0.23 0.23 0.25 0.00 0.00 0.00 178.15 178.84 3gbu h LEU 258 N 0.90 0.59 0.12 1.44 5.85 -1.11 -3.26 115.31 119.84 3gbu h LEU 258 Ca 0.23 -0.11 -0.29 0.00 0.84 0.00 0.00 57.88 58.55 3gbu h LEU 258 Cb 0.06 -0.15 0.02 0.00 0.37 0.00 0.00 40.66 40.96 3gbu h LEU 258 CO -0.04 0.54 -1.27 0.11 -0.34 0.00 0.00 178.44 177.44 3gbu h LYS 259 N 0.60 0.44 -5.35 1.25 1.79 -0.98 -3.44 116.57 110.89 3gbu h LYS 259 Ca 0.16 -0.67 -0.65 0.00 -2.18 0.00 0.00 60.65 57.31 3gbu h LYS 259 Cb 0.09 0.24 -0.16 0.00 -1.58 0.00 0.00 32.23 30.83 3gbu h LYS 259 CO -0.02 1.30 0.26 -0.51 -1.08 0.00 0.00 179.45 179.40 3gbu s LEU 260 N -7.50 4.60 -0.11 2.94 1.43 0.08 -5.01 118.68 115.11 3gbu s LEU 260 Ca -0.07 -0.66 -0.29 0.00 -1.03 0.00 0.00 54.13 52.08 3gbu s LEU 260 Cb 0.06 -2.61 -0.05 0.00 0.03 0.00 0.00 46.19 43.62 3gbu s LEU 260 CO 0.91 -1.02 1.65 -0.54 0.23 0.00 0.00 176.35 177.58 3gbu s LYS 261 N 3.17 4.05 0.00 1.70 1.02 -1.26 -4.47 119.74 123.95 3gbu s LYS 261 Ca 0.22 2.03 0.00 0.00 0.02 0.00 0.00 55.97 58.24 3gbu s LYS 261 Cb -0.16 -4.00 0.00 0.00 -0.52 0.00 0.00 37.83 33.15 3gbu s LYS 261 CO 0.15 -0.99 0.00 0.41 -0.92 0.00 0.00 175.35 174.00 3gbu n GLY 262 N 4.30 -0.05 3.18 -3.33 0.00 -1.26 -4.82 105.19 103.21 3gbu n GLY 262 Ca 0.18 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 3gbu n GLY 262 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gbu n LEU 263 N 0.00 1.80 -4.57 0.99 4.77 -1.26 -4.82 117.00 113.91 3gbu n LEU 263 Ca 0.00 -1.80 -0.28 0.00 -0.03 0.00 0.00 56.01 53.90 3gbu n LEU 263 Cb 0.00 -0.69 -0.05 0.00 -2.33 0.00 0.00 43.42 40.35 3gbu n LEU 263 CO 0.00 -1.17 1.41 -0.62 -1.33 0.00 0.00 177.39 175.68 3gbu s ASP 264 N 5.65 5.20 0.65 -1.43 -1.08 -1.26 -4.75 116.67 119.64 3gbu s ASP 264 Ca 0.45 -1.06 0.31 0.00 -0.52 0.00 0.00 52.55 51.73 3gbu s ASP 264 Cb 0.10 -2.57 1.71 0.00 -1.46 0.00 0.00 42.92 40.70 3gbu s ASP 264 CO 0.17 -2.77 1.99 -0.07 0.52 0.00 0.00 175.17 175.01 3gbu h LEU 265 N 17.51 0.00 -0.04 -1.34 3.38 -1.97 0.24 115.31 133.09 3gbu h LEU 265 Ca 0.15 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 3gbu h LEU 265 Cb 0.98 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.74 3gbu h LEU 265 CO 1.23 0.00 -0.31 0.25 0.09 0.00 0.00 178.44 179.70 3gbu h LEU 266 N 0.00 0.34 0.65 1.67 5.85 -1.97 0.47 115.31 122.32 3gbu h LEU 266 Ca 0.04 -0.70 -0.03 0.00 0.84 0.00 0.00 57.88 58.03 3gbu h LEU 266 Cb 0.64 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.57 3gbu h LEU 266 CO -0.00 0.98 -0.31 0.11 -0.34 0.00 0.00 178.44 178.88 3gbu h LYS 267 N -0.28 -0.84 -0.55 1.25 1.57 -1.29 -2.10 116.57 114.33 3gbu h LYS 267 Ca -0.03 0.06 0.11 0.00 -1.87 0.00 0.00 60.65 58.92 3gbu h LYS 267 Cb 1.00 0.19 -0.09 0.00 0.08 0.00 0.00 32.23 33.41 3gbu h LYS 267 CO 0.06 -0.56 -0.00 1.25 -0.57 0.00 0.00 179.45 179.63 3gbu h LEU 268 N -1.18 -0.25 -0.84 2.94 5.85 -0.77 -0.03 115.31 121.03 3gbu h LEU 268 Ca -0.09 0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.82 3gbu h LEU 268 Cb 0.67 0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.88 3gbu h LEU 268 CO 0.15 -0.09 0.52 1.23 -0.34 0.00 0.00 178.44 179.91 3gbu h GLY 269 N 0.11 1.25 1.57 3.75 0.00 -0.07 -1.87 103.07 107.81 3gbu h GLY 269 Ca 0.28 -0.39 -0.14 0.00 0.00 0.00 0.00 47.33 47.08 3gbu h GLY 269 CO -0.46 0.28 -0.49 0.50 0.00 0.00 0.00 176.54 176.37 3gbu h LYS 270 N 0.98 0.46 0.30 4.80 1.57 -0.50 -2.42 116.57 121.76 3gbu h LYS 270 Ca 0.36 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3gbu h LYS 270 Cb 0.12 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3gbu h LYS 270 CO -0.16 0.85 -0.14 0.35 -0.57 0.00 0.00 179.45 179.78 3gbu h PHE 271 N 0.37 -0.37 -0.81 -1.35 3.57 -0.55 -1.83 116.94 115.98 3gbu h PHE 271 Ca 0.02 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.55 3gbu h PHE 271 Cb 0.99 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.80 3gbu h PHE 271 CO 0.03 -0.08 0.51 0.00 -2.23 0.00 0.00 178.31 176.55 3gbu h ALA 272 N -0.04 1.07 -0.29 2.41 0.00 -1.40 -0.30 119.26 120.71 3gbu h ALA 272 Ca -0.04 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.86 3gbu h ALA 272 Cb 0.46 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3gbu h ALA 272 CO 0.07 0.31 0.15 -0.97 0.00 0.00 0.00 179.25 178.81 3gbu h ASN 273 N 0.99 0.23 0.40 0.00 -1.24 -1.42 0.13 115.58 114.67 3gbu h ASN 273 Ca 0.33 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.33 3gbu h ASN 273 Cb 0.04 -0.04 -0.00 0.00 0.73 0.00 0.00 38.32 39.05 3gbu h ASN 273 CO -0.12 0.17 -0.23 0.25 -1.29 0.00 0.00 177.43 176.21 3gbu h LEU 274 N 0.32 -0.58 -0.35 0.34 5.85 -0.63 0.01 115.31 120.28 3gbu h LEU 274 Ca 0.12 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3gbu h LEU 274 Cb 0.02 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3gbu h LEU 274 CO -0.07 -0.38 0.17 0.58 -0.34 0.00 0.00 178.44 178.40 3gbu h VAL 275 N -0.60 1.16 -0.22 1.05 2.07 -0.93 -1.32 116.25 117.46 3gbu h VAL 275 Ca -0.05 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 3gbu h VAL 275 Cb 0.49 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3gbu h VAL 275 CO 0.05 0.17 0.11 0.00 0.02 0.00 0.00 177.57 177.92 3gbu h ALA 276 N 1.02 0.29 0.23 1.67 0.00 -0.71 -1.48 119.26 120.28 3gbu h ALA 276 Ca 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3gbu h ALA 276 Cb 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3gbu h ALA 276 CO -0.02 -0.17 -0.11 0.00 0.00 0.00 0.00 179.25 178.96 3gbu h ALA 277 N 0.99 -0.30 -0.49 0.00 0.00 -0.89 -2.83 119.26 115.73 3gbu h ALA 277 Ca 0.08 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3gbu h ALA 277 Cb 0.10 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3gbu h ALA 277 CO -0.01 -0.66 0.33 -0.07 0.00 0.00 0.00 179.25 178.84 3gbu h LEU 278 N -0.33 0.42 -2.52 0.00 3.38 -1.19 -1.38 115.31 113.69 3gbu h LEU 278 Ca -0.03 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3gbu h LEU 278 Cb 0.25 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3gbu h LEU 278 CO 0.05 0.28 -0.01 0.77 0.09 0.00 0.00 178.44 179.62 3gbu h SER 279 N 0.49 0.00 0.00 -0.43 4.64 -1.01 -0.11 113.55 117.12 3gbu h SER 279 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3gbu h SER 279 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3gbu h SER 279 CO -0.05 0.01 0.00 0.35 -0.87 0.00 0.00 176.83 176.27 3gbu n THR 280 N -3.65 0.00 0.33 2.95 -2.24 -0.52 -1.12 114.28 110.03 3gbu n THR 280 Ca -0.03 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.86 3gbu n THR 280 Cb 0.10 -0.68 -0.05 0.00 -2.10 0.00 0.00 70.33 67.60 3gbu n THR 280 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gbu n GLN 281 N -0.92 0.44 -3.99 -0.78 1.13 -0.05 0.62 117.38 113.83 3gbu n GLN 281 Ca 0.10 -0.03 -0.29 0.00 -1.94 0.00 0.00 57.00 54.84 3gbu n GLN 281 Cb 0.05 -1.62 -0.05 0.00 0.11 0.00 0.00 30.24 28.73 3gbu n GLN 281 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3gbu s LYS 282 N -3.31 3.19 0.21 -1.09 3.01 -0.27 -4.82 119.74 116.65 3gbu s LYS 282 Ca -0.00 -0.62 -0.04 0.00 -1.01 0.00 0.00 55.97 54.30 3gbu s LYS 282 Cb 0.13 -2.87 -0.05 0.00 -1.01 0.00 0.00 37.83 34.03 3gbu s LYS 282 CO 0.83 0.56 0.45 1.03 0.51 0.00 0.00 175.35 178.73 3gbu s ARG 283 N -2.72 3.62 0.00 1.68 0.52 -1.26 -4.34 118.95 116.45 3gbu s ARG 283 Ca 0.33 -0.09 0.00 0.00 -0.52 0.00 0.00 55.73 55.45 3gbu s ARG 283 Cb -0.12 -2.76 0.00 0.00 0.52 0.00 0.00 34.95 32.59 3gbu s ARG 283 CO 0.26 0.36 0.00 0.41 0.02 0.00 0.00 175.30 176.34 3gbu n GLY 284 N -0.43 -0.31 0.26 -3.53 0.00 -1.26 -4.55 105.19 95.37 3gbu n GLY 284 Ca -0.02 -1.82 0.15 0.00 0.00 0.00 0.00 46.02 44.32 3gbu n GLY 284 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gbu h ALA 285 N 0.00 1.02 -2.36 4.61 0.00 -1.89 -2.97 119.26 117.67 3gbu h ALA 285 Ca 0.00 -0.07 -0.70 0.00 0.00 0.00 0.00 54.91 54.14 3gbu h ALA 285 Cb 0.00 -0.01 -0.36 0.00 0.00 0.00 0.00 17.79 17.42 3gbu h ALA 285 CO 0.00 0.10 -0.01 0.91 0.00 0.00 0.00 179.25 180.25 3gbu n TRP 286 N -3.21 3.47 -0.17 0.00 8.01 -1.26 -4.51 117.44 119.76 3gbu n TRP 286 Ca 0.00 -3.70 0.10 0.00 -1.31 0.00 0.00 57.50 52.59 3gbu n TRP 286 Cb 0.34 -0.98 0.25 0.00 -2.01 0.00 0.00 31.31 28.91 3gbu n TRP 286 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 3gbu n SER 287 N 1.53 3.51 -4.72 -0.99 3.41 -1.25 -4.91 113.62 110.20 3gbu n SER 287 Ca 0.26 -1.98 -0.42 0.00 -0.26 0.00 0.00 58.87 56.47 3gbu n SER 287 Cb 0.37 -0.36 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 3gbu n SER 287 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3gbu s THR 288 N -1.08 2.56 0.53 6.66 2.01 -1.26 -4.27 115.64 120.79 3gbu s THR 288 Ca 0.39 0.41 -0.19 0.00 0.31 0.00 0.00 61.69 62.60 3gbu s THR 288 Cb 0.21 -3.26 -0.06 0.00 0.01 0.00 0.00 72.50 69.39 3gbu s THR 288 CO 0.28 0.04 1.11 -2.16 -0.69 0.00 0.00 174.62 173.19 3gbu s PRO 289 N 0.86 3.44 0.54 4.92 0.04 -1.26 -4.98 135.00 138.55 3gbu s PRO 289 Ca 0.69 1.54 -0.17 0.00 0.04 0.00 0.00 61.00 63.10 3gbu s PRO 289 Cb -0.44 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 32.01 3gbu s PRO 289 CO 0.34 -0.76 1.01 1.03 0.04 0.00 0.00 177.00 178.66 3gbu s ARG 290 N -3.31 3.75 0.23 4.56 0.52 -1.26 -4.48 118.95 118.95 3gbu s ARG 290 Ca 0.71 1.06 -0.07 0.00 -0.52 0.00 0.00 55.73 56.92 3gbu s ARG 290 Cb -0.22 -2.10 0.34 0.00 0.52 0.00 0.00 34.95 33.49 3gbu s ARG 290 CO 0.26 -0.45 1.78 -0.22 0.02 0.00 0.00 175.30 176.70 3gbu h LYS 291 N 0.83 0.61 0.00 3.54 3.64 -1.20 -0.93 116.57 123.07 3gbu h LYS 291 Ca -0.47 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3gbu h LYS 291 Cb 1.20 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3gbu h LYS 291 CO 0.60 0.41 0.09 0.38 -2.27 0.00 0.00 179.45 178.65 3gbu h ASP 292 N 0.63 0.00 0.00 4.20 3.04 -1.93 -0.14 116.42 122.23 3gbu h ASP 292 Ca 0.35 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 54.12 3gbu h ASP 292 Cb 0.36 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.64 3gbu h ASP 292 CO -0.26 0.00 -1.98 -0.62 -2.04 0.00 0.00 179.24 174.34 3gbu n GLU 293 N -2.30 0.64 0.06 4.15 1.02 -0.37 -4.40 120.64 119.44 3gbu n GLU 293 Ca -0.01 -0.18 0.12 0.00 -0.02 0.00 0.00 57.16 57.06 3gbu n GLU 293 Cb 0.12 -1.50 0.13 0.00 -0.02 0.00 0.00 31.44 30.17 3gbu n GLU 293 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3gbu h LEU 294 N 0.00 0.00 -1.82 -4.62 3.38 -0.80 -3.37 115.31 108.08 3gbu h LEU 294 Ca -0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 3gbu h LEU 294 Cb 1.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 3gbu h LEU 294 CO 0.00 0.11 -0.06 -0.07 0.09 0.00 0.00 178.44 178.51 3gbu h LEU 295 N 0.00 0.03 -2.80 1.67 3.38 -1.66 -1.56 115.31 114.38 3gbu h LEU 295 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gbu h LEU 295 Cb 0.77 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 3gbu h LEU 295 CO 0.00 0.10 0.01 0.50 0.09 0.00 0.00 178.44 179.13 3gbu h LYS 296 N 0.03 0.00 -5.79 1.13 3.64 -1.86 -3.43 116.57 110.29 3gbu h LYS 296 Ca 0.01 0.00 -0.64 0.00 -1.27 0.00 0.00 60.65 58.75 3gbu h LYS 296 Cb 0.13 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.89 3gbu h LYS 296 CO 0.01 0.00 -0.34 0.71 -2.27 0.00 0.00 179.45 177.56 3gbu s TYR 297 N -4.32 3.64 0.31 1.91 2.02 -0.59 -5.00 117.35 115.33 3gbu s TYR 297 Ca -0.05 0.74 0.13 0.00 -0.37 0.00 0.00 57.07 57.52 3gbu s TYR 297 Cb 0.14 -2.13 0.61 0.00 -0.40 0.00 0.00 41.96 40.17 3gbu s TYR 297 CO 0.46 0.65 1.75 1.57 -1.57 0.00 0.00 175.55 178.40 3gbu h LYS 298 N 5.02 0.00 -0.36 -0.62 2.10 -1.84 -1.87 116.57 119.00 3gbu h LYS 298 Ca -0.52 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.12 3gbu h LYS 298 Cb 1.22 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.53 3gbu h LYS 298 CO 0.61 0.45 0.19 0.93 -2.00 0.00 0.00 179.45 179.64 3gbu h GLU 299 N 0.00 0.50 -0.10 0.07 3.07 -1.93 -2.88 114.58 113.31 3gbu h GLU 299 Ca -0.00 -0.06 -0.13 0.00 -0.50 0.00 0.00 59.36 58.67 3gbu h GLU 299 Cb 0.84 -0.10 0.01 0.00 -0.84 0.00 0.00 28.75 28.66 3gbu h GLU 299 CO 0.06 0.42 -0.43 0.00 -1.40 0.00 0.00 179.01 177.66 3gbu h ALA 300 N 1.05 0.19 -1.02 3.43 0.00 -1.75 -3.23 119.26 117.93 3gbu h ALA 300 Ca 0.12 -0.48 0.25 0.00 0.00 0.00 0.00 54.91 54.81 3gbu h ALA 300 Cb 0.07 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.75 3gbu h ALA 300 CO -0.02 0.32 0.65 0.00 0.00 0.00 0.00 179.25 180.20 3gbu h ARG 301 N 0.05 0.42 0.49 0.00 3.08 -1.29 0.78 114.38 117.90 3gbu h ARG 301 Ca -0.03 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3gbu h ARG 301 Cb 1.07 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 3gbu h ARG 301 CO 0.09 0.28 -0.46 0.93 -1.07 0.00 0.00 179.97 179.74 3gbu h GLU 302 N 0.44 -0.91 0.14 0.04 4.39 -1.52 -3.32 114.58 113.83 3gbu h GLU 302 Ca 0.58 0.06 -0.01 0.00 0.34 0.00 0.00 59.36 60.34 3gbu h GLU 302 Cb 1.40 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 30.26 3gbu h GLU 302 CO -0.30 -0.61 -0.07 0.28 -1.16 0.00 0.00 179.01 177.15 3gbu h VAL 303 N -0.95 0.80 0.00 3.13 2.07 -1.10 -3.49 116.25 116.71 3gbu h VAL 303 Ca -0.05 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.24 3gbu h VAL 303 Cb 0.82 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 3gbu h VAL 303 CO -0.05 0.22 0.00 0.18 0.02 0.00 0.00 177.57 177.94