#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 2.68 -0.06 1.96 1.01 -0.90 -0.17 121.20 125.72 3gbu s ILE 4 Ca 0.00 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 59.88 3gbu s ILE 4 Cb 0.00 -2.08 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 3gbu s ILE 4 CO 0.00 0.54 -0.14 0.00 0.00 0.00 0.00 174.94 175.34 3gbu s ALA 5 N 0.26 2.65 -0.05 9.38 0.00 -0.44 -0.90 121.76 132.65 3gbu s ALA 5 Ca -0.12 -0.97 0.06 0.00 0.00 0.00 0.00 51.96 50.93 3gbu s ALA 5 Cb -0.16 -0.99 -0.01 0.00 0.00 0.00 0.00 23.12 21.95 3gbu s ALA 5 CO 0.06 0.52 -0.23 -1.12 0.00 0.00 0.00 175.76 174.98 3gbu s SER 6 N -0.59 3.22 -0.09 0.00 0.01 0.82 -0.54 113.70 116.54 3gbu s SER 6 Ca 0.08 -0.46 0.01 0.00 1.31 0.00 0.00 55.95 56.89 3gbu s SER 6 Cb -0.11 -0.77 0.02 0.00 0.21 0.00 0.00 66.02 65.36 3gbu s SER 6 CO 0.01 0.27 -0.10 -0.51 0.41 0.00 0.00 173.24 173.32 3gbu s ILE 7 N -0.29 1.04 -4.64 1.44 2.07 0.53 0.32 121.20 121.67 3gbu s ILE 7 Ca 0.01 -0.37 0.00 0.00 -1.41 0.00 0.00 60.65 58.88 3gbu s ILE 7 Cb -0.13 -1.01 0.00 0.00 0.13 0.00 0.00 42.46 41.45 3gbu s ILE 7 CO 0.02 0.35 0.00 0.61 -1.91 0.00 0.00 174.94 174.02 3gbu n GLY 8 N 4.35 -0.80 3.78 1.50 0.00 -0.84 -0.53 105.19 112.64 3gbu n GLY 8 Ca -0.18 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 3gbu n GLY 8 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3gbu s GLU 9 N -1.85 4.07 -0.06 1.61 1.03 -1.26 -4.45 118.70 117.78 3gbu s GLU 9 Ca 0.00 2.52 -0.02 0.00 0.03 0.00 0.00 54.97 57.50 3gbu s GLU 9 Cb 0.00 -2.93 0.03 0.00 -0.80 0.00 0.00 34.13 30.43 3gbu s GLU 9 CO 0.00 -0.54 0.04 -1.17 -1.33 0.00 0.00 175.26 172.26 3gbu s LEU 10 N -2.17 0.30 0.33 1.83 2.96 -1.26 -3.85 118.68 116.82 3gbu s LEU 10 Ca 0.54 -0.01 -0.09 0.00 -0.22 0.00 0.00 54.13 54.34 3gbu s LEU 10 Cb -0.45 -0.24 0.02 0.00 0.50 0.00 0.00 46.19 46.01 3gbu s LEU 10 CO 0.61 -0.24 0.58 -1.48 -1.32 0.00 0.00 176.35 174.50 3gbu s LEU 11 N 2.11 0.52 -0.21 -0.68 0.05 -0.36 -4.34 118.68 115.78 3gbu s LEU 11 Ca 0.05 -1.24 -0.16 0.00 0.05 0.00 0.00 54.13 52.84 3gbu s LEU 11 Cb -0.12 1.99 -0.04 0.00 -2.05 0.00 0.00 46.19 45.97 3gbu s LEU 11 CO -0.04 -1.38 0.38 -0.63 -0.55 0.00 0.00 176.35 174.13 3gbu s ILE 12 N -3.07 5.21 -0.27 1.48 -1.09 0.67 -0.15 121.20 123.99 3gbu s ILE 12 Ca 0.24 0.67 -0.12 0.00 -2.23 0.00 0.00 60.65 59.21 3gbu s ILE 12 Cb -0.02 -3.72 -0.05 0.00 -1.58 0.00 0.00 42.46 37.10 3gbu s ILE 12 CO 0.15 0.25 0.24 -1.81 -1.23 0.00 0.00 174.94 172.54 3gbu s ASP 13 N 1.07 6.12 -0.60 3.58 1.01 0.21 -1.42 116.67 126.64 3gbu s ASP 13 Ca 0.18 0.11 -0.13 0.00 0.71 0.00 0.00 52.55 53.42 3gbu s ASP 13 Cb -0.15 -2.15 0.15 0.00 1.01 0.00 0.00 42.92 41.79 3gbu s ASP 13 CO 0.08 -0.07 0.53 -0.76 0.21 0.00 0.00 175.17 175.16 3gbu s LEU 14 N 1.70 6.18 -0.23 1.23 1.43 -0.04 -0.98 118.68 127.97 3gbu s LEU 14 Ca 0.10 -2.08 -0.21 0.00 -1.03 0.00 0.00 54.13 50.90 3gbu s LEU 14 Cb -0.15 -2.15 -0.02 0.00 0.03 0.00 0.00 46.19 43.90 3gbu s LEU 14 CO 0.10 -0.73 0.66 -0.63 0.23 0.00 0.00 176.35 175.97 3gbu s ILE 15 N 1.13 4.98 0.09 -0.59 1.01 -0.47 -0.13 121.20 127.22 3gbu s ILE 15 Ca 0.08 1.21 -0.36 0.00 0.00 0.00 0.00 60.65 61.58 3gbu s ILE 15 Cb -0.24 -3.96 -0.15 0.00 0.01 0.00 0.00 42.46 38.11 3gbu s ILE 15 CO -0.01 0.04 1.48 -1.20 0.00 0.00 0.00 174.94 175.25 3gbu n SER 16 N 5.53 2.35 0.10 3.58 7.64 0.70 -1.57 113.62 131.94 3gbu n SER 16 Ca 0.00 1.10 -0.21 0.00 1.01 0.00 0.00 58.87 60.76 3gbu n SER 16 Cb 0.49 -1.29 -0.13 0.00 -1.01 0.00 0.00 64.21 62.27 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 3.61 1.31 -1.78 0.44 2.07 -1.28 -3.46 116.25 117.16 3gbu h VAL 17 Ca -0.47 -2.53 -0.53 0.00 0.82 0.00 0.00 66.70 64.00 3gbu h VAL 17 Cb 1.30 2.73 -0.06 0.00 -1.52 0.00 0.00 31.29 33.74 3gbu h VAL 17 CO 0.84 0.77 -0.48 -1.83 0.02 0.00 0.00 177.57 176.88 3gbu s GLU 18 N -2.94 2.47 0.81 1.57 -1.05 -1.26 -5.09 118.70 113.22 3gbu s GLU 18 Ca -0.09 -1.51 -0.11 0.00 -0.15 0.00 0.00 54.97 53.11 3gbu s GLU 18 Cb 0.06 -2.27 0.08 0.00 -0.44 0.00 0.00 34.13 31.56 3gbu s GLU 18 CO 0.93 0.03 1.09 -1.21 0.95 0.00 0.00 175.26 177.05 3gbu s GLU 19 N -3.94 1.93 0.00 -4.83 2.02 -1.26 -4.96 118.70 107.66 3gbu s GLU 19 Ca 0.41 0.85 0.00 0.00 0.02 0.00 0.00 54.97 56.25 3gbu s GLU 19 Cb -0.03 -1.88 0.00 0.00 0.10 0.00 0.00 34.13 32.32 3gbu s GLU 19 CO 0.25 -1.78 0.00 0.41 0.02 0.00 0.00 175.26 174.16 3gbu n GLY 20 N -1.55 2.94 3.76 -1.39 0.00 -1.26 -4.84 105.19 102.85 3gbu n GLY 20 Ca 0.07 -2.02 -0.39 0.00 0.00 0.00 0.00 46.02 43.69 3gbu n GLY 20 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gbu s ASP 21 N 0.00 5.75 0.53 1.61 -0.00 -1.26 -4.76 116.67 118.54 3gbu s ASP 21 Ca 0.00 2.68 0.28 0.00 -0.00 0.00 0.00 52.55 55.51 3gbu s ASP 21 Cb 0.00 -2.63 1.44 0.00 -0.00 0.00 0.00 42.92 41.72 3gbu s ASP 21 CO 0.00 -1.24 1.95 -0.07 -0.00 0.00 0.00 175.17 175.81 3gbu h LEU 22 N 1.96 0.00 -1.33 1.23 3.38 -1.97 0.14 115.31 118.72 3gbu h LEU 22 Ca -0.50 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.49 3gbu h LEU 22 Cb 1.27 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.99 3gbu h LEU 22 CO 0.59 0.00 0.47 0.50 0.09 0.00 0.00 178.44 180.09 3gbu h LYS 23 N 0.00 0.87 0.00 1.13 3.64 -2.03 -3.09 116.57 117.09 3gbu h LYS 23 Ca 0.33 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3gbu h LYS 23 Cb 1.31 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3gbu h LYS 23 CO -0.00 0.58 -1.07 -0.25 -2.27 0.00 0.00 179.45 176.43 3gbu n ASP 24 N -4.44 0.85 -4.70 4.20 8.00 0.40 -4.96 116.55 115.89 3gbu n ASP 24 Ca 0.08 -0.82 -0.43 0.00 0.71 0.00 0.00 54.79 54.33 3gbu n ASP 24 Cb 0.08 1.13 -0.03 0.00 -0.02 0.00 0.00 41.12 42.29 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 -1.57 0.21 -0.06 2.53 0.31 -0.76 -4.90 118.33 114.10 3gbu n VAL 25 Ca 0.03 -0.04 -0.11 0.00 -0.01 0.00 0.00 64.34 64.21 3gbu n VAL 25 Cb 0.34 -2.01 -0.15 0.00 -0.91 0.00 0.00 33.84 31.11 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 4.88 0.67 -5.04 5.55 1.74 -1.26 -4.96 116.66 118.23 3gbu n ARG 26 Ca 0.17 0.17 -0.28 0.00 -0.77 0.00 0.00 57.85 57.14 3gbu n ARG 26 Cb 0.35 -1.66 -0.16 0.00 -1.02 0.00 0.00 32.46 29.97 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 -5.96 2.03 -0.00 0.55 1.43 -1.26 -5.08 118.68 110.38 3gbu s LEU 27 Ca -0.10 -0.39 0.05 0.00 -1.03 0.00 0.00 54.13 52.66 3gbu s LEU 27 Cb 0.07 -1.11 -0.01 0.00 0.03 0.00 0.00 46.19 45.17 3gbu s LEU 27 CO 0.81 0.24 -0.15 -0.36 0.23 0.00 0.00 176.35 177.12 3gbu s PHE 28 N -0.39 1.37 -0.15 0.29 0.08 -1.26 -0.74 117.98 117.18 3gbu s PHE 28 Ca 0.05 -0.27 -0.01 0.00 0.12 0.00 0.00 56.93 56.82 3gbu s PHE 28 Cb -0.09 -0.87 -0.01 0.00 -0.57 0.00 0.00 43.02 41.47 3gbu s PHE 28 CO 0.00 -0.01 -0.11 -2.00 -0.10 0.00 0.00 175.22 173.00 3gbu s GLU 29 N -0.48 3.41 0.17 0.44 2.12 -0.61 -4.89 118.70 118.86 3gbu s GLU 29 Ca 0.05 -0.66 -0.22 0.00 0.36 0.00 0.00 54.97 54.51 3gbu s GLU 29 Cb -0.06 -2.73 -0.08 0.00 0.26 0.00 0.00 34.13 31.52 3gbu s GLU 29 CO -0.00 0.14 0.71 -1.59 -0.54 0.00 0.00 175.26 173.98 3gbu s LYS 30 N 0.56 4.38 0.05 4.30 -2.85 -1.26 -1.37 119.74 123.55 3gbu s LYS 30 Ca -0.07 0.97 -0.10 0.00 -1.00 0.00 0.00 55.97 55.77 3gbu s LYS 30 Cb -0.15 -3.13 0.00 0.00 -2.06 0.00 0.00 37.83 32.50 3gbu s LYS 30 CO 0.03 0.53 0.20 -1.01 0.10 0.00 0.00 175.35 175.20 3gbu s HIS 31 N -1.27 0.05 0.33 1.78 3.76 -0.15 -4.98 115.29 114.81 3gbu s HIS 31 Ca 0.37 -0.29 -0.28 0.00 -0.15 0.00 0.00 55.06 54.70 3gbu s HIS 31 Cb -0.20 -0.02 -0.10 0.00 1.11 0.00 0.00 32.58 33.37 3gbu s HIS 31 CO 0.23 -0.45 1.25 -2.14 -0.85 0.00 0.00 174.74 172.77 3gbu s PRO 32 N -2.73 4.35 0.31 8.40 0.02 -1.26 -0.62 135.00 143.47 3gbu s PRO 32 Ca -0.04 2.08 -0.03 0.00 0.02 0.00 0.00 61.00 63.04 3gbu s PRO 32 Cb -0.00 -3.03 0.01 0.00 0.02 0.00 0.00 34.50 31.50 3gbu s PRO 32 CO -0.05 -0.14 0.46 0.41 -0.33 0.00 0.00 177.00 177.35 3gbu n GLY 33 N 0.85 2.12 0.00 0.52 0.00 0.79 -4.68 105.19 104.79 3gbu n GLY 33 Ca 0.01 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.51 2.60 0.35 -0.02 0.00 -1.26 -1.22 105.19 105.13 3gbu n GLY 34 Ca -0.00 -1.07 -0.03 0.00 0.00 0.00 0.00 46.02 44.92 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 0.10 -0.45 4.61 0.00 -1.99 0.41 119.26 121.94 3gbu h ALA 35 Ca 0.00 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3gbu h ALA 35 Cb 0.00 0.85 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3gbu h ALA 35 CO 0.00 -0.62 0.21 -1.35 0.00 0.00 0.00 179.25 177.48 3gbu h PRO 36 N -0.08 0.62 -0.28 0.00 0.11 -1.92 0.20 132.00 130.64 3gbu h PRO 36 Ca 0.29 -0.07 -0.16 0.00 0.11 0.00 0.00 66.00 66.17 3gbu h PRO 36 Cb 0.57 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.56 3gbu h PRO 36 CO -0.81 0.49 -0.47 0.00 -0.21 0.00 0.00 178.00 177.00 3gbu h ALA 37 N 1.61 0.44 -0.80 -0.75 0.00 -1.11 -1.70 119.26 116.94 3gbu h ALA 37 Ca 0.16 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 3gbu h ALA 37 Cb 0.08 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3gbu h ALA 37 CO -0.02 0.59 0.40 -0.91 0.00 0.00 0.00 179.25 179.31 3gbu h ASN 38 N 0.58 1.02 -0.37 0.00 2.35 0.53 -1.94 115.58 117.76 3gbu h ASN 38 Ca 0.02 -0.11 -0.16 0.00 -0.55 0.00 0.00 56.30 55.51 3gbu h ASN 38 Cb 1.07 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.17 3gbu h ASN 38 CO 0.11 0.85 -0.37 0.58 -1.65 0.00 0.00 177.43 176.95 3gbu h VAL 39 N 1.13 1.27 -0.69 2.81 2.07 -0.89 -1.76 116.25 120.20 3gbu h VAL 39 Ca 0.28 -1.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.23 3gbu h VAL 39 Cb 0.09 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 3gbu h VAL 39 CO -0.04 0.52 0.35 0.00 0.02 0.00 0.00 177.57 178.42 3gbu h ALA 40 N 0.81 0.88 -0.41 1.67 0.00 -1.01 0.31 119.26 121.52 3gbu h ALA 40 Ca 0.07 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3gbu h ALA 40 Cb 0.96 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3gbu h ALA 40 CO 0.09 0.43 -0.07 0.28 0.00 0.00 0.00 179.25 179.98 3gbu h VAL 41 N 0.95 1.27 -0.64 0.00 2.07 -1.32 -1.61 116.25 116.97 3gbu h VAL 41 Ca 0.24 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 3gbu h VAL 41 Cb 0.09 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3gbu h VAL 41 CO -0.03 0.38 0.32 1.23 0.02 0.00 0.00 177.57 179.49 3gbu h GLY 42 N 0.59 0.97 0.82 2.17 0.00 -0.94 -0.46 103.07 106.21 3gbu h GLY 42 Ca 0.11 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 3gbu h GLY 42 CO 0.03 0.43 -0.01 -2.08 0.00 0.00 0.00 176.54 174.91 3gbu h VAL 43 N 0.90 1.26 -0.94 4.60 2.07 -0.74 -2.31 116.25 121.10 3gbu h VAL 43 Ca 0.23 -0.91 0.01 0.00 0.82 0.00 0.00 66.70 66.84 3gbu h VAL 43 Cb 0.08 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 3gbu h VAL 43 CO -0.03 0.28 0.62 -1.28 0.02 0.00 0.00 177.57 177.17 3gbu h SER 44 N 0.12 1.09 0.95 0.57 0.87 -0.91 -1.22 113.55 115.00 3gbu h SER 44 Ca 0.06 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 3gbu h SER 44 Cb 0.42 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 3gbu h SER 44 CO 0.01 0.79 0.00 0.03 -0.53 0.00 0.00 176.83 177.14 3gbu h ARG 45 N 1.28 0.00 -0.01 2.24 3.08 -0.98 -2.41 114.38 117.58 3gbu h ARG 45 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 3gbu h ARG 45 Cb -0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.91 3gbu h ARG 45 CO -0.07 0.00 -0.04 1.28 -1.07 0.00 0.00 179.97 180.06 3gbu n LEU 46 N -2.98 0.86 0.00 3.04 4.77 -0.49 -1.48 117.00 120.72 3gbu n LEU 46 Ca 0.01 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 3gbu n LEU 46 Cb 0.29 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3gbu n LEU 46 CO 0.26 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 3gbu n GLY 47 N 1.17 0.68 3.71 -0.72 0.00 -0.91 -4.81 105.19 104.30 3gbu n GLY 47 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.00 4.35 -0.17 1.61 1.01 -1.03 -5.03 120.40 119.14 3gbu s VAL 48 Ca 0.00 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.26 3gbu s VAL 48 Cb 0.00 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 3gbu s VAL 48 CO 0.00 0.45 1.75 -0.54 0.00 0.00 0.00 175.10 176.77 3gbu s LYS 49 N -1.35 3.79 0.08 2.72 1.02 -1.26 -3.39 119.74 121.34 3gbu s LYS 49 Ca 0.18 1.90 0.05 0.00 0.02 0.00 0.00 55.97 58.12 3gbu s LYS 49 Cb -0.12 -4.09 -0.04 0.00 -0.52 0.00 0.00 37.83 33.06 3gbu s LYS 49 CO 0.08 -1.32 -0.03 0.45 -0.92 0.00 0.00 175.35 173.61 3gbu s SER 50 N 4.73 4.82 0.04 2.83 0.15 -1.26 -2.11 113.70 122.90 3gbu s SER 50 Ca 0.78 -0.22 0.04 0.00 0.70 0.00 0.00 55.95 57.25 3gbu s SER 50 Cb -0.29 -1.10 -0.02 0.00 -1.71 0.00 0.00 66.02 62.90 3gbu s SER 50 CO 0.32 0.19 -0.12 -0.55 1.20 0.00 0.00 173.24 174.28 3gbu s SER 51 N -2.14 1.41 -0.05 5.45 0.15 -0.07 -1.88 113.70 116.57 3gbu s SER 51 Ca 0.23 -0.44 0.03 0.00 0.70 0.00 0.00 55.95 56.47 3gbu s SER 51 Cb -0.11 -0.08 0.01 0.00 -1.71 0.00 0.00 66.02 64.13 3gbu s SER 51 CO 0.15 -0.01 -0.12 -0.22 1.20 0.00 0.00 173.24 174.25 3gbu s LEU 52 N -1.12 1.72 -0.21 3.45 2.96 -1.09 -0.12 118.68 124.26 3gbu s LEU 52 Ca -0.01 -0.26 -0.00 0.00 -0.22 0.00 0.00 54.13 53.64 3gbu s LEU 52 Cb -0.08 -0.74 0.02 0.00 0.50 0.00 0.00 46.19 45.89 3gbu s LEU 52 CO 0.01 0.06 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.34 3gbu s ILE 53 N 0.42 2.48 0.00 6.68 1.01 0.15 -4.07 121.20 127.86 3gbu s ILE 53 Ca -0.09 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.61 3gbu s ILE 53 Cb -0.13 -2.15 0.00 0.00 0.01 0.00 0.00 42.46 40.19 3gbu s ILE 53 CO 0.02 0.39 0.00 -0.24 0.00 0.00 0.00 174.94 175.11 3gbu n SER 54 N 4.64 0.00 -3.69 3.58 2.88 -1.19 -1.99 113.62 117.85 3gbu n SER 54 Ca -0.19 -0.44 -0.10 0.00 -1.33 0.00 0.00 58.87 56.81 3gbu n SER 54 Cb 0.49 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.84 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 -0.31 0.37 0.37 -1.46 2.20 -1.26 -1.99 119.74 117.66 3gbu s LYS 55 Ca 0.00 0.83 0.09 0.00 -0.36 0.00 0.00 55.97 56.53 3gbu s LYS 55 Cb 0.00 0.04 -0.07 0.00 -1.51 0.00 0.00 37.83 36.29 3gbu s LYS 55 CO 0.00 -0.18 -0.05 0.14 -0.36 0.00 0.00 175.35 174.90 3gbu s VAL 56 N 1.65 2.15 0.57 4.02 -7.23 -0.05 -2.21 120.40 119.30 3gbu s VAL 56 Ca -0.08 -2.12 -0.08 0.00 -1.81 0.00 0.00 61.98 57.89 3gbu s VAL 56 Cb -0.09 -2.79 -0.03 0.00 0.56 0.00 0.00 36.38 34.03 3gbu s VAL 56 CO -0.13 -0.12 0.93 -0.83 -0.31 0.00 0.00 175.10 174.64 3gbu s GLY 57 N -3.65 1.59 -1.32 2.32 0.00 -1.26 0.10 107.32 105.10 3gbu s GLY 57 Ca 0.34 -0.35 -0.13 0.00 0.00 0.00 0.00 44.72 44.57 3gbu s GLY 57 CO 0.17 -0.11 1.86 -2.01 0.00 0.00 0.00 173.10 173.01 3gbu n ASN 58 N -2.57 4.77 -3.65 1.64 5.15 -0.07 -4.06 115.26 116.46 3gbu n ASN 58 Ca 0.04 -2.98 -0.14 0.00 -0.60 0.00 0.00 54.58 50.90 3gbu n ASN 58 Cb 0.55 -1.59 -0.07 0.00 -0.53 0.00 0.00 39.78 38.14 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 2.47 0.70 0.34 1.20 1.47 -1.26 -5.02 116.67 116.57 3gbu s ASP 59 Ca 0.45 -1.42 0.07 0.00 1.18 0.00 0.00 52.55 52.83 3gbu s ASP 59 Cb 0.07 0.55 0.76 0.00 -0.34 0.00 0.00 42.92 43.96 3gbu s ASP 59 CO -0.01 -1.10 1.88 -0.65 0.68 0.00 0.00 175.17 175.96 3gbu h PRO 60 N 2.27 0.74 -0.13 2.11 0.11 -2.00 -1.85 132.00 133.24 3gbu h PRO 60 Ca -0.29 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.62 3gbu h PRO 60 Cb 1.24 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3gbu h PRO 60 CO 0.41 0.49 -0.56 0.74 -0.21 0.00 0.00 178.00 178.87 3gbu h PHE 61 N 0.76 0.51 -0.34 0.65 -1.00 -1.97 -1.62 116.94 113.94 3gbu h PHE 61 Ca 0.44 -0.18 -0.03 0.00 2.81 0.00 0.00 57.97 61.01 3gbu h PHE 61 Cb 0.61 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 40.06 3gbu h PHE 61 CO -0.00 0.87 0.11 0.78 -1.61 0.00 0.00 178.31 178.46 3gbu h GLY 62 N 1.23 0.56 1.01 -1.45 0.00 -1.50 -2.13 103.07 100.79 3gbu h GLY 62 Ca 0.00 -0.33 0.01 0.00 0.00 0.00 0.00 47.33 47.01 3gbu h GLY 62 CO 0.10 0.31 0.59 0.83 0.00 0.00 0.00 176.54 178.37 3gbu h GLU 63 N 0.39 1.19 -0.05 4.80 5.08 -1.27 -2.53 114.58 122.19 3gbu h GLU 63 Ca 0.11 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3gbu h GLU 63 Cb 0.25 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3gbu h GLU 63 CO -0.00 0.79 -0.05 -0.92 -1.00 0.00 0.00 179.01 177.83 3gbu h TYR 64 N 1.22 -0.11 -0.52 4.33 3.20 -1.05 -1.74 116.97 122.30 3gbu h TYR 64 Ca 0.33 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.22 3gbu h TYR 64 Cb -0.13 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 3gbu h TYR 64 CO -0.01 -0.07 0.33 -0.07 -1.64 0.00 0.00 178.16 176.70 3gbu h LEU 65 N -0.06 0.56 -1.24 2.82 3.38 -1.15 -0.41 115.31 119.20 3gbu h LEU 65 Ca 0.04 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3gbu h LEU 65 Cb 0.11 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3gbu h LEU 65 CO -0.08 0.40 0.18 0.40 0.09 0.00 0.00 178.44 179.42 3gbu h ILE 66 N 0.67 1.19 -0.33 1.22 2.04 -1.32 -1.86 117.51 119.12 3gbu h ILE 66 Ca 0.20 -0.60 -0.16 0.00 1.00 0.00 0.00 64.86 65.30 3gbu h ILE 66 Cb -0.03 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 3gbu h ILE 66 CO -0.07 0.23 -0.42 -0.33 0.00 0.00 0.00 178.15 177.56 3gbu h GLU 67 N 0.69 0.86 -0.51 2.37 5.08 -0.54 -2.14 114.58 120.39 3gbu h GLU 67 Ca 0.17 -0.49 -0.10 0.00 -1.00 0.00 0.00 59.36 57.94 3gbu h GLU 67 Cb 0.16 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3gbu h GLU 67 CO -0.01 1.13 -0.06 0.93 -1.00 0.00 0.00 179.01 180.00 3gbu h GLU 68 N 0.65 0.93 -0.75 2.33 4.39 -0.83 -2.47 114.58 118.83 3gbu h GLU 68 Ca 0.04 -0.33 -0.05 0.00 0.34 0.00 0.00 59.36 59.36 3gbu h GLU 68 Cb 1.02 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.57 3gbu h GLU 68 CO 0.10 0.98 0.28 -0.07 -1.16 0.00 0.00 179.01 179.14 3gbu h LEU 69 N 0.80 1.05 -0.39 1.33 3.38 -1.34 -2.69 115.31 117.45 3gbu h LEU 69 Ca 0.14 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.97 3gbu h LEU 69 Cb 0.60 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3gbu h LEU 69 CO 0.04 0.95 0.19 0.28 0.09 0.00 0.00 178.44 179.99 3gbu h SER 70 N 1.10 0.27 -0.05 -0.43 0.02 -1.17 -0.02 113.55 113.27 3gbu h SER 70 Ca 0.25 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.24 3gbu h SER 70 Cb 0.24 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 3gbu h SER 70 CO -0.02 0.20 0.11 0.11 -1.14 0.00 0.00 176.83 176.10 3gbu h LYS 71 N 0.39 0.00 -0.02 3.45 1.57 -1.12 0.39 116.57 121.23 3gbu h LYS 71 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3gbu h LYS 71 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3gbu h LYS 71 CO -0.12 0.00 -0.16 0.39 -0.57 0.00 0.00 179.45 178.98 3gbu n GLU 72 N -3.40 1.42 -1.06 3.15 -0.58 -0.08 -4.94 120.64 115.15 3gbu n GLU 72 Ca -0.01 -0.97 -0.02 0.00 -0.42 0.00 0.00 57.16 55.74 3gbu n GLU 72 Cb 0.20 -1.48 -0.01 0.00 -0.57 0.00 0.00 31.44 29.58 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 0.06 -3.48 -4.72 1.62 3.02 0.14 -4.70 115.26 107.19 3gbu n ASN 73 Ca 0.14 0.05 -0.41 0.00 -0.03 0.00 0.00 54.58 54.33 3gbu n ASN 73 Cb 0.41 -1.17 -0.04 0.00 -0.61 0.00 0.00 39.78 38.38 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 -2.00 4.38 0.02 2.41 1.01 -0.87 -4.72 120.40 120.63 3gbu s VAL 74 Ca 0.00 1.88 -0.30 0.00 0.00 0.00 0.00 61.98 63.56 3gbu s VAL 74 Cb 0.00 -4.20 -0.07 0.00 0.00 0.00 0.00 36.38 32.11 3gbu s VAL 74 CO 0.00 0.24 1.52 -0.62 0.00 0.00 0.00 175.10 176.24 3gbu s ASP 75 N 0.37 6.74 0.00 3.32 2.15 -0.79 -4.43 116.67 124.03 3gbu s ASP 75 Ca 0.50 2.26 0.10 0.00 0.43 0.00 0.00 52.55 55.85 3gbu s ASP 75 Cb -0.25 -2.56 0.16 0.00 -0.30 0.00 0.00 42.92 39.97 3gbu s ASP 75 CO 0.30 -0.80 0.98 0.35 -0.17 0.00 0.00 175.17 175.83 3gbu n THR 76 N 4.75 0.39 0.33 1.71 -2.24 -1.26 -2.66 114.28 115.31 3gbu n THR 76 Ca 0.14 -0.69 0.23 0.00 -2.27 0.00 0.00 64.05 61.46 3gbu n THR 76 Cb 0.42 0.93 1.19 0.00 -2.10 0.00 0.00 70.33 70.78 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 1.91 0.00 -0.18 -0.78 3.08 -1.90 -0.20 114.38 116.31 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 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 3gbu h ARG 77 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3gbu n GLY 78 N -1.03 0.29 3.54 0.04 0.00 -1.26 -4.79 105.19 101.97 3gbu n GLY 78 Ca -0.03 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.76 5.21 0.29 -0.61 1.01 -0.09 -3.17 121.20 122.07 3gbu s ILE 79 Ca 0.31 -0.05 -0.02 0.00 0.00 0.00 0.00 60.65 60.89 3gbu s ILE 79 Cb 0.17 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 3gbu s ILE 79 CO 0.25 -0.07 0.51 -0.69 0.00 0.00 0.00 174.94 174.94 3gbu s VAL 80 N 1.91 5.10 -0.13 2.92 1.01 -0.84 -4.93 120.40 125.44 3gbu s VAL 80 Ca 0.10 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 3gbu s VAL 80 Cb -0.17 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 3gbu s VAL 80 CO 0.11 -0.39 0.01 -0.54 0.00 0.00 0.00 175.10 174.29 3gbu s LYS 81 N -3.82 3.45 -0.09 2.72 1.02 -1.25 -0.87 119.74 120.89 3gbu s LYS 81 Ca 0.41 -0.41 -0.15 0.00 0.02 0.00 0.00 55.97 55.84 3gbu s LYS 81 Cb -0.10 -2.95 -0.05 0.00 -0.52 0.00 0.00 37.83 34.21 3gbu s LYS 81 CO 0.32 0.46 0.36 0.34 -0.92 0.00 0.00 175.35 175.92 3gbu s ASP 82 N -0.21 6.62 0.15 2.83 -1.08 0.28 -4.82 116.67 120.45 3gbu s ASP 82 Ca 0.06 0.73 0.24 0.00 -0.52 0.00 0.00 52.55 53.06 3gbu s ASP 82 Cb -0.12 -2.22 0.38 0.00 -1.46 0.00 0.00 42.92 39.49 3gbu s ASP 82 CO 0.02 0.18 1.37 -0.33 0.52 0.00 0.00 175.17 176.93 3gbu h GLU 83 N 5.85 0.00 0.00 4.34 4.39 -1.96 -0.16 114.58 127.04 3gbu h GLU 83 Ca -0.46 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.10 3gbu h GLU 83 Cb 1.19 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.82 3gbu h GLU 83 CO 0.69 0.00 -1.54 1.63 -1.16 0.00 0.00 179.01 178.63 3gbu n LYS 84 N -2.23 0.23 -3.39 2.33 4.76 -1.26 -4.93 118.16 113.67 3gbu n LYS 84 Ca 0.03 0.06 -0.37 0.00 -2.87 0.00 0.00 58.31 55.17 3gbu n LYS 84 Cb 0.45 -1.15 -0.06 0.00 -1.84 0.00 0.00 35.03 32.44 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 -2.19 4.00 0.39 1.97 -0.14 -1.26 -5.07 119.74 117.44 3gbu s LYS 85 Ca -0.13 0.50 -0.09 0.00 -1.36 0.00 0.00 55.97 54.89 3gbu s LYS 85 Cb 0.04 -3.07 -0.06 0.00 -1.68 0.00 0.00 37.83 33.06 3gbu s LYS 85 CO 0.21 0.57 0.74 -1.01 -0.76 0.00 0.00 175.35 175.09 3gbu s HIS 86 N -1.30 3.47 0.37 3.18 3.76 -1.26 -4.11 115.29 119.40 3gbu s HIS 86 Ca 0.32 0.97 -0.26 0.00 -0.15 0.00 0.00 55.06 55.95 3gbu s HIS 86 Cb -0.16 -2.38 -0.12 0.00 1.11 0.00 0.00 32.58 31.02 3gbu s HIS 86 CO 0.18 -0.07 0.98 2.41 -0.85 0.00 0.00 174.74 177.39 3gbu n THR 87 N -1.26 2.18 -1.78 1.30 -1.04 -1.26 -0.96 114.28 111.46 3gbu n THR 87 Ca 0.02 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.05 61.14 3gbu n THR 87 Cb 0.54 -1.05 0.04 0.00 -1.82 0.00 0.00 70.33 68.03 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 -0.67 2.89 -0.01 3.41 0.00 -1.26 -4.75 107.32 106.93 3gbu s GLY 88 Ca 0.61 1.36 -0.09 0.00 0.00 0.00 0.00 44.72 46.61 3gbu s GLY 88 CO 0.58 1.90 0.18 -0.26 0.00 0.00 0.00 173.10 175.51 3gbu s ILE 89 N -1.28 0.07 -0.14 0.90 -4.36 -1.26 -0.24 121.20 114.88 3gbu s ILE 89 Ca 0.70 -0.54 -0.08 0.00 -0.26 0.00 0.00 60.65 60.47 3gbu s ILE 89 Cb -0.41 -0.45 0.05 0.00 1.25 0.00 0.00 42.46 42.90 3gbu s ILE 89 CO 0.49 -0.30 0.34 0.54 0.24 0.00 0.00 174.94 176.26 3gbu s VAL 90 N -1.15 -0.03 -0.16 8.37 0.11 -0.51 -2.41 120.40 124.63 3gbu s VAL 90 Ca -0.12 0.11 -0.19 0.00 -2.93 0.00 0.00 61.98 58.84 3gbu s VAL 90 Cb -0.06 -0.52 -0.03 0.00 -1.53 0.00 0.00 36.38 34.24 3gbu s VAL 90 CO 0.02 0.05 0.55 -0.36 -3.33 0.00 0.00 175.10 172.03 3gbu s PHE 91 N 1.30 3.44 -0.03 1.54 0.08 0.26 -0.86 117.98 123.71 3gbu s PHE 91 Ca -0.09 0.90 0.07 0.00 0.12 0.00 0.00 56.93 57.93 3gbu s PHE 91 Cb -0.09 -2.68 -0.02 0.00 -0.57 0.00 0.00 43.02 39.66 3gbu s PHE 91 CO -0.11 -0.01 -0.23 0.08 -0.10 0.00 0.00 175.22 174.85 3gbu s VAL 92 N 1.29 2.29 -0.26 -0.44 1.01 0.82 -1.12 120.40 123.98 3gbu s VAL 92 Ca 0.27 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.24 3gbu s VAL 92 Cb -0.16 -1.82 0.07 0.00 0.00 0.00 0.00 36.38 34.48 3gbu s VAL 92 CO 0.11 0.58 -0.02 -1.58 0.00 0.00 0.00 175.10 174.19 3gbu s GLN 93 N -0.63 1.50 -0.03 2.72 2.00 -0.66 -0.22 119.66 124.35 3gbu s GLN 93 Ca 0.10 -1.14 -0.21 0.00 -2.00 0.00 0.00 55.36 52.10 3gbu s GLN 93 Cb -0.10 -2.61 -0.29 0.00 0.80 0.00 0.00 33.01 30.81 3gbu s GLN 93 CO -0.01 -0.70 0.96 -0.07 -0.50 0.00 0.00 175.29 174.98 3gbu h LEU 94 N 7.91 0.47-10.25 3.68 3.38 -1.88 -2.70 115.31 115.93 3gbu h LEU 94 Ca -0.15 -0.89 -0.46 0.00 0.09 0.00 0.00 57.88 56.47 3gbu h LEU 94 Cb 1.06 -0.15 0.19 0.00 0.09 0.00 0.00 40.66 41.84 3gbu h LEU 94 CO 0.44 1.32 0.12 -0.54 0.09 0.00 0.00 178.44 179.87 3gbu s LYS 95 N -2.70 0.01 0.00 1.13 3.01 -1.26 -4.47 119.74 115.46 3gbu s LYS 95 Ca -0.14 0.84 0.00 0.00 -1.01 0.00 0.00 55.97 55.66 3gbu s LYS 95 Cb 0.02 -1.66 0.00 0.00 -1.01 0.00 0.00 37.83 35.17 3gbu s LYS 95 CO 0.82 -3.10 0.00 0.41 0.51 0.00 0.00 175.35 173.99 3gbu n GLY 96 N -0.08 1.09 2.17 -3.33 0.00 -1.26 -4.46 105.19 99.32 3gbu n GLY 96 Ca 0.05 -2.07 -0.26 0.00 0.00 0.00 0.00 46.02 43.75 3gbu n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gbu n ALA 97 N 1.29 5.71 -2.66 4.61 0.00 -1.26 -4.52 120.51 123.67 3gbu n ALA 97 Ca 0.00 -3.11 -0.04 0.00 0.00 0.00 0.00 53.44 50.29 3gbu n ALA 97 Cb 0.00 -1.46 0.06 0.00 0.00 0.00 0.00 19.45 18.05 3gbu n ALA 97 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gbu n SER 98 N -1.07 -1.27 -4.68 0.00 3.41 -1.26 -5.13 113.62 103.62 3gbu n SER 98 Ca 0.58 -1.36 -0.56 0.00 -0.26 0.00 0.00 58.87 57.28 3gbu n SER 98 Cb 1.32 0.66 -0.07 0.00 -0.26 0.00 0.00 64.21 65.86 3gbu n SER 98 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3gbu n PRO 99 N 1.93 1.20 -3.91 4.33 -0.02 -1.26 -4.93 135.00 132.33 3gbu n PRO 99 Ca 0.05 0.44 -0.22 0.00 -2.02 0.00 0.00 63.50 61.75 3gbu n PRO 99 Cb 0.69 -2.12 -0.04 0.00 -0.02 0.00 0.00 33.50 32.01 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 2.78 5.12 0.07 2.55 1.04 -1.02 -4.98 113.70 119.26 3gbu s SER 100 Ca 0.95 -0.56 -0.20 0.00 0.48 0.00 0.00 55.95 56.62 3gbu s SER 100 Cb -1.03 -0.93 0.04 0.00 0.10 0.00 0.00 66.02 64.21 3gbu s SER 100 CO 0.60 -0.32 0.46 0.72 0.98 0.00 0.00 173.24 175.69 3gbu s PHE 101 N -2.33 -0.33 -0.21 5.02 -0.12 -1.26 -1.65 117.98 117.10 3gbu s PHE 101 Ca 0.39 0.26 -0.03 0.00 -0.05 0.00 0.00 56.93 57.51 3gbu s PHE 101 Cb -0.05 0.30 0.07 0.00 -0.63 0.00 0.00 43.02 42.70 3gbu s PHE 101 CO 0.25 -0.64 0.05 -1.17 -0.05 0.00 0.00 175.22 173.66 3gbu s LEU 102 N -2.19 1.28 -0.16 -1.99 2.96 -0.28 -4.96 118.68 113.35 3gbu s LEU 102 Ca -0.03 -0.96 -0.05 0.00 -0.22 0.00 0.00 54.13 52.87 3gbu s LEU 102 Cb -0.00 -0.62 -0.03 0.00 0.50 0.00 0.00 46.19 46.04 3gbu s LEU 102 CO -0.05 -0.33 0.01 -0.22 -1.32 0.00 0.00 176.35 174.44 3gbu s LEU 103 N 1.84 3.51 -0.07 -0.68 0.20 -1.26 -0.58 118.68 121.63 3gbu s LEU 103 Ca 0.01 -0.02 -0.22 0.00 0.69 0.00 0.00 54.13 54.59 3gbu s LEU 103 Cb -0.17 -1.86 -0.04 0.00 -0.43 0.00 0.00 46.19 43.69 3gbu s LEU 103 CO -0.12 0.19 0.65 -0.31 -0.29 0.00 0.00 176.35 176.47 3gbu s TYR 104 N 0.25 3.57 -0.97 5.38 1.51 -1.01 -5.00 117.35 121.08 3gbu s TYR 104 Ca 0.00 1.17 0.22 0.00 -1.01 0.00 0.00 57.07 57.46 3gbu s TYR 104 Cb -0.13 -2.75 0.00 0.00 -0.11 0.00 0.00 41.96 38.98 3gbu s TYR 104 CO 0.02 0.11 1.06 -0.40 -1.11 0.00 0.00 175.55 175.23 3gbu n ASP 105 N 3.72 0.82 -3.38 2.29 5.75 -1.26 -4.48 116.55 120.00 3gbu n ASP 105 Ca -0.03 -0.73 -0.40 0.00 -0.01 0.00 0.00 54.79 53.63 3gbu n ASP 105 Cb 0.51 0.78 0.02 0.00 -1.03 0.00 0.00 41.12 41.40 3gbu n ASP 105 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 3gbu n ASP 106 N -1.53 7.18 -4.78 -1.12 2.03 -1.26 -4.83 116.55 112.25 3gbu n ASP 106 Ca 0.04 -3.73 -0.24 0.00 0.52 0.00 0.00 54.79 51.38 3gbu n ASP 106 Cb 0.34 -1.09 -0.06 0.00 -0.72 0.00 0.00 41.12 39.59 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 -4.57 2.35 0.30 5.18 -7.23 -1.26 -4.48 120.40 110.68 3gbu s VAL 107 Ca 0.43 -1.61 0.05 0.00 -1.81 0.00 0.00 61.98 59.04 3gbu s VAL 107 Cb 0.27 -2.95 0.29 0.00 0.56 0.00 0.00 36.38 34.54 3gbu s VAL 107 CO -0.21 0.00 1.70 0.00 -0.31 0.00 0.00 175.10 176.29 3gbu h ALA 108 N 1.30 1.50 0.00 1.32 0.00 -1.26 -2.36 119.26 119.77 3gbu h ALA 108 Ca -0.42 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3gbu h ALA 108 Cb 1.26 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3gbu h ALA 108 CO 0.67 -0.32 0.00 0.10 0.00 0.00 0.00 179.25 179.70 3gbu h TYR 109 N 0.44 0.00 -0.01 0.00 -0.00 -1.74 -2.02 116.97 113.65 3gbu h TYR 109 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.30 3gbu h TYR 109 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.81 3gbu h TYR 109 CO -0.11 0.00 -0.26 1.19 -0.00 0.00 0.00 178.16 178.98 3gbu n PHE 110 N -2.46 0.00 -3.79 0.10 3.72 -0.89 -4.81 117.46 109.33 3gbu n PHE 110 Ca 0.02 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.05 3gbu n PHE 110 Cb 0.26 -0.09 -0.13 0.00 -0.94 0.00 0.00 39.48 38.58 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 -2.45 5.04 0.01 4.37 2.47 -0.76 -2.35 114.94 121.26 3gbu s ASN 111 Ca 0.25 -0.79 -0.29 0.00 0.42 0.00 0.00 52.86 52.45 3gbu s ASN 111 Cb 0.19 -1.85 0.11 0.00 -1.45 0.00 0.00 41.25 38.25 3gbu s ASN 111 CO 0.51 -0.20 1.14 0.42 -3.72 0.00 0.00 177.10 175.25 3gbu s THR 113 N 1.46 0.00 0.53 -5.21 -4.23 -1.26 -4.86 115.64 102.06 3gbu s THR 113 Ca 0.02 -0.29 0.23 0.00 -1.18 0.00 0.00 61.69 60.46 3gbu s THR 113 Cb -0.17 -1.74 0.36 0.00 1.34 0.00 0.00 72.50 72.29 3gbu s THR 113 CO 0.02 0.00 2.04 -0.07 -0.54 0.00 0.00 174.62 176.06 3gbu h LEU 114 N 2.00 0.01 -0.60 4.79 3.38 -1.93 0.84 115.31 123.80 3gbu h LEU 114 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3gbu h LEU 114 Cb 1.21 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3gbu h LEU 114 CO 0.27 0.01 0.00 0.59 0.09 0.00 0.00 178.44 179.39 3gbu n ASN 115 N -4.42 0.61 0.03 -0.43 4.13 -1.26 -1.94 115.26 111.97 3gbu n ASN 115 Ca 0.06 0.65 0.13 0.00 1.68 0.00 0.00 54.58 57.10 3gbu n ASN 115 Cb 0.46 -0.78 0.36 0.00 -1.54 0.00 0.00 39.78 38.28 3gbu n ASN 115 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3gbu n ASP 116 N -2.17 0.44 -4.69 6.41 8.00 0.29 -4.87 116.55 119.96 3gbu n ASP 116 Ca 0.02 0.15 -0.42 0.00 0.71 0.00 0.00 54.79 55.25 3gbu n ASP 116 Cb 0.23 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.19 3gbu n ASP 116 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3gbu s ILE 117 N -3.05 4.82 -0.82 0.53 -1.09 -0.82 -4.84 121.20 115.93 3gbu s ILE 117 Ca 0.11 1.92 -0.18 0.00 -2.23 0.00 0.00 60.65 60.27 3gbu s ILE 117 Cb 0.16 -4.26 0.15 0.00 -1.58 0.00 0.00 42.46 36.94 3gbu s ILE 117 CO 0.64 0.03 0.93 0.21 -1.23 0.00 0.00 174.94 175.53 3gbu s ASN 118 N 1.09 6.57 0.48 3.58 3.84 -1.26 -4.89 114.94 124.34 3gbu s ASN 118 Ca 0.45 -2.08 0.14 0.00 0.21 0.00 0.00 52.86 51.59 3gbu s ASN 118 Cb -0.18 -2.33 1.13 0.00 -0.55 0.00 0.00 41.25 39.33 3gbu s ASN 118 CO 0.17 -0.94 2.07 -0.50 -2.79 0.00 0.00 177.10 175.11 3gbu h TRP 119 N 8.62 0.22 -0.05 0.43 4.06 -1.95 -2.49 115.95 124.79 3gbu h TRP 119 Ca 0.04 0.01 0.03 0.00 2.06 0.00 0.00 58.89 61.02 3gbu h TRP 119 Cb 1.04 -0.07 -0.03 0.00 -1.00 0.00 0.00 29.16 29.10 3gbu h TRP 119 CO 1.06 0.13 -0.13 -0.44 -3.56 0.00 0.00 178.44 175.49 3gbu h ASP 120 N 0.23 -0.39 -0.66 -3.49 3.32 -2.00 -2.08 116.42 111.34 3gbu h ASP 120 Ca 0.13 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 3gbu h ASP 120 Cb 0.22 0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 3gbu h ASP 120 CO -0.02 -0.18 0.36 0.40 -1.72 0.00 0.00 179.24 178.08 3gbu h ILE 121 N -0.19 1.21 -0.18 0.35 2.04 -1.88 -2.82 117.51 116.04 3gbu h ILE 121 Ca 0.06 -0.52 -0.06 0.00 1.00 0.00 0.00 64.86 65.34 3gbu h ILE 121 Cb 0.28 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3gbu h ILE 121 CO -0.17 0.23 -0.13 -0.37 0.00 0.00 0.00 178.15 177.71 3gbu h VAL 122 N 0.91 1.19 0.00 1.67 -1.51 -1.23 -3.17 116.25 114.11 3gbu h VAL 122 Ca 0.23 -0.86 -0.20 0.00 -1.23 0.00 0.00 66.70 64.65 3gbu h VAL 122 Cb 0.04 1.21 -0.03 0.00 -2.13 0.00 0.00 31.29 30.38 3gbu h VAL 122 CO -0.04 0.27 -0.94 -0.33 -1.23 0.00 0.00 177.57 175.30 3gbu h GLU 123 N 0.28 0.00 -0.37 5.19 5.08 -1.17 -3.31 114.58 120.27 3gbu h GLU 123 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3gbu h GLU 123 Cb 0.41 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 3gbu h GLU 123 CO 0.02 0.94 0.23 0.93 -1.00 0.00 0.00 179.01 180.14 3gbu h GLU 124 N 0.00 0.49 -6.30 2.33 5.08 -1.48 -3.45 114.58 111.26 3gbu h GLU 124 Ca -0.01 -0.04 -0.61 0.00 -1.00 0.00 0.00 59.36 57.70 3gbu h GLU 124 Cb 1.71 -0.11 0.14 0.00 0.50 0.00 0.00 28.75 31.00 3gbu h GLU 124 CO 0.12 0.35 -0.42 0.00 -1.00 0.00 0.00 179.01 178.06 3gbu n ALA 125 N -2.21 -1.60 -0.01 3.43 0.00 -1.24 -4.83 120.51 114.04 3gbu n ALA 125 Ca -0.00 0.17 -0.10 0.00 0.00 0.00 0.00 53.44 53.51 3gbu n ALA 125 Cb 0.04 -1.76 -0.14 0.00 0.00 0.00 0.00 19.45 17.59 3gbu n ALA 125 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3gbu h LYS 126 N 0.81 0.04 -4.19 0.00 1.63 -0.87 -3.46 116.57 110.54 3gbu h LYS 126 Ca -0.40 -0.07 -0.39 0.00 -0.85 0.00 0.00 60.65 58.94 3gbu h LYS 126 Cb 1.40 0.03 -0.32 0.00 -0.60 0.00 0.00 32.23 32.74 3gbu h LYS 126 CO 0.52 0.64 -0.77 0.42 -3.45 0.00 0.00 179.45 176.80 3gbu s ILE 127 N -2.60 0.55 -0.20 2.00 1.01 -1.24 -1.78 121.20 118.95 3gbu s ILE 127 Ca -0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.38 3gbu s ILE 127 Cb 0.08 -0.54 0.00 0.00 0.01 0.00 0.00 42.46 42.01 3gbu s ILE 127 CO 0.82 0.20 -0.11 -0.69 0.00 0.00 0.00 174.94 175.17 3gbu s VAL 128 N 0.55 2.89 -0.21 2.92 1.01 0.10 -1.33 120.40 126.34 3gbu s VAL 128 Ca -0.07 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.18 3gbu s VAL 128 Cb -0.11 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 3gbu s VAL 128 CO 0.00 0.47 0.03 0.21 0.00 0.00 0.00 175.10 175.82 3gbu s ASN 129 N 1.29 5.05 0.07 3.32 2.47 0.30 -0.51 114.94 126.93 3gbu s ASN 129 Ca 0.04 -0.16 0.09 0.00 0.42 0.00 0.00 52.86 53.25 3gbu s ASN 129 Cb -0.14 -1.88 -0.03 0.00 -1.45 0.00 0.00 41.25 37.75 3gbu s ASN 129 CO -0.05 0.05 -0.25 0.72 -3.72 0.00 0.00 177.10 173.85 3gbu s PHE 130 N 1.08 2.21 0.66 0.43 -0.12 -0.79 -0.35 117.98 121.10 3gbu s PHE 130 Ca 0.03 -0.40 -0.12 0.00 -0.05 0.00 0.00 56.93 56.39 3gbu s PHE 130 Cb -0.14 -1.28 -0.01 0.00 -0.63 0.00 0.00 43.02 40.96 3gbu s PHE 130 CO 0.02 0.18 1.05 0.20 -0.05 0.00 0.00 175.22 176.63 3gbu s GLY 131 N -1.49 1.78 -0.26 1.99 0.00 0.31 -4.30 107.32 105.35 3gbu s GLY 131 Ca 0.11 0.13 -0.09 0.00 0.00 0.00 0.00 44.72 44.87 3gbu s GLY 131 CO 0.03 0.44 -0.26 -1.26 0.00 0.00 0.00 173.10 172.05 3gbu n SER 132 N -2.79 1.97 -0.31 1.64 2.88 -1.26 -4.44 113.62 111.30 3gbu n SER 132 Ca 0.08 0.20 0.07 0.00 -1.33 0.00 0.00 58.87 57.88 3gbu n SER 132 Cb 0.53 -0.71 0.23 0.00 -0.75 0.00 0.00 64.21 63.51 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 -0.66 0.80 0.00 2.46 2.07 -1.88 -0.26 116.25 118.78 3gbu h VAL 133 Ca -0.64 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 3gbu h VAL 133 Cb 1.70 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3gbu h VAL 133 CO -0.30 0.13 -0.01 -0.29 0.02 0.00 0.00 177.57 177.13 3gbu h ILE 134 N 0.74 0.26 0.00 4.57 2.10 -1.95 -1.68 117.51 121.55 3gbu h ILE 134 Ca 0.47 -0.07 0.00 0.00 1.08 0.00 0.00 64.86 66.34 3gbu h ILE 134 Cb 0.59 1.05 0.00 0.00 -1.09 0.00 0.00 36.82 37.38 3gbu h ILE 134 CO -0.32 0.01 0.00 0.18 -1.08 0.00 0.00 178.15 176.94 3gbu n LEU 135 N -3.43 0.00 0.28 2.19 4.77 -0.11 -3.63 117.00 117.08 3gbu n LEU 135 Ca -0.03 0.32 0.16 0.00 -0.03 0.00 0.00 56.01 56.43 3gbu n LEU 135 Cb 0.10 -0.32 0.84 0.00 -2.33 0.00 0.00 43.42 41.70 3gbu n LEU 135 CO 0.24 -0.04 1.03 0.00 -1.33 0.00 0.00 177.39 177.29 3gbu h ALA 136 N 3.18 1.21 -2.62 -1.18 0.00 -1.40 -3.42 119.26 115.03 3gbu h ALA 136 Ca 0.00 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 3gbu h ALA 136 Cb 0.28 -0.01 -0.18 0.00 0.00 0.00 0.00 17.79 17.88 3gbu h ALA 136 CO 0.00 0.08 -0.69 1.03 0.00 0.00 0.00 179.25 179.67 3gbu s ARG 137 N -4.15 0.51 0.29 0.00 1.81 -1.24 -4.96 118.95 111.22 3gbu s ARG 137 Ca -0.03 -0.95 0.02 0.00 -1.72 0.00 0.00 55.73 53.05 3gbu s ARG 137 Cb 0.13 0.08 -0.03 0.00 -0.45 0.00 0.00 34.95 34.67 3gbu s ARG 137 CO 0.54 -0.06 0.47 -0.80 -0.68 0.00 0.00 175.30 174.77 3gbu s ASN 138 N -2.24 6.31 0.00 0.23 0.02 -1.26 -0.48 114.94 117.53 3gbu s ASN 138 Ca -0.03 0.31 0.29 0.00 -1.02 0.00 0.00 52.86 52.41 3gbu s ASN 138 Cb -0.01 -1.97 1.47 0.00 0.02 0.00 0.00 41.25 40.76 3gbu s ASN 138 CO -0.05 -0.19 2.00 -0.81 0.02 0.00 0.00 177.10 178.07 3gbu n PRO 139 N -1.53 0.44 -0.25 -0.60 -0.04 -1.17 -4.75 135.00 127.10 3gbu n PRO 139 Ca -0.06 0.01 0.02 0.00 -0.04 0.00 0.00 63.50 63.43 3gbu n PRO 139 Cb 0.56 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.76 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 0.89 0.33 3.54 0.02 -1.41 -0.96 113.55 115.96 3gbu h SER 140 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3gbu h SER 140 Cb 0.25 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 3gbu h SER 140 CO 0.00 0.62 -0.37 -0.09 -1.14 0.00 0.00 176.83 175.85 3gbu h ARG 141 N 1.04 -0.71 -0.80 3.45 2.43 -0.91 0.89 114.38 119.77 3gbu h ARG 141 Ca 0.32 0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.54 3gbu h ARG 141 Cb -0.01 0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 3gbu h ARG 141 CO -0.09 -0.47 0.52 0.93 -1.51 0.00 0.00 179.97 179.35 3gbu h GLU 142 N -0.74 1.06 -0.17 0.20 4.39 -1.78 -2.94 114.58 114.61 3gbu h GLU 142 Ca -0.02 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.61 3gbu h GLU 142 Cb 0.68 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 3gbu h GLU 142 CO -0.09 0.72 0.11 1.15 -1.16 0.00 0.00 179.01 179.74 3gbu h THR 143 N 1.09 1.05 0.00 1.13 2.02 -0.89 -1.64 112.91 115.67 3gbu h THR 143 Ca 0.29 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.38 3gbu h THR 143 Cb -0.11 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 3gbu h THR 143 CO -0.06 0.05 0.00 0.52 0.37 0.00 0.00 175.52 176.40 3gbu n VAL 144 N -4.96 0.48 0.00 3.16 0.31 0.28 -1.70 118.33 115.89 3gbu n VAL 144 Ca -0.04 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 3gbu n VAL 144 Cb 0.03 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.15 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 1.04 0.00 -0.19 5.55 5.02 -0.62 -1.45 118.16 127.51 3gbu n LYS 146 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 3gbu n LYS 146 Cb 0.19 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.30 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 0.79 -0.29 -0.18 2.07 -1.60 -1.52 116.25 115.53 3gbu h VAL 147 Ca 0.00 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 3gbu h VAL 147 Cb 0.00 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 3gbu h VAL 147 CO 0.00 0.07 -0.06 0.40 0.02 0.00 0.00 177.57 178.00 3gbu h ILE 148 N 0.40 1.28 0.00 4.57 1.08 -1.53 -2.65 117.51 120.66 3gbu h ILE 148 Ca 0.29 -1.08 -0.01 0.00 -0.39 0.00 0.00 64.86 63.67 3gbu h ILE 148 Cb 0.34 1.39 -0.00 0.00 -3.07 0.00 0.00 36.82 35.48 3gbu h ILE 148 CO -0.29 0.34 -0.03 0.11 -0.69 0.00 0.00 178.15 177.60 3gbu h LYS 149 N 0.32 0.00 0.04 2.37 1.57 -1.71 0.04 116.57 119.19 3gbu h LYS 149 Ca 0.07 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.61 3gbu h LYS 149 Cb 0.54 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 3gbu h LYS 149 CO 0.03 0.03 -1.24 -0.22 -0.57 0.00 0.00 179.45 177.48 3gbu h LYS 150 N 0.00 0.08 -0.01 3.15 3.64 -1.06 -3.35 116.57 119.03 3gbu h LYS 150 Ca -0.00 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 3gbu h LYS 150 Cb 0.08 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3gbu h LYS 150 CO 0.00 0.97 -0.75 0.44 -2.27 0.00 0.00 179.45 177.84 3gbu n ILE 151 N -3.34 0.00 0.17 2.00 -5.35 -1.00 -4.54 119.36 107.31 3gbu n ILE 151 Ca -0.07 -0.13 0.17 0.00 -0.27 0.00 0.00 62.75 62.46 3gbu n ILE 151 Cb 0.99 1.12 0.67 0.00 -1.74 0.00 0.00 39.64 40.68 3gbu n ILE 151 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3gbu h LYS 152 N 1.13 0.00 -0.19 6.28 3.64 -1.13 -2.16 116.57 124.15 3gbu h LYS 152 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3gbu h LYS 152 Cb 0.62 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 3gbu h LYS 152 CO 0.00 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.59 3gbu n GLY 153 N -1.41 1.27 0.00 5.01 0.00 -1.26 -4.55 105.19 104.25 3gbu n GLY 153 Ca 0.05 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.37 3gbu n GLY 153 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gbu n SER 154 N 1.36 3.39 -4.60 1.61 7.64 -0.86 -5.09 113.62 117.07 3gbu n SER 154 Ca 0.17 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.81 3gbu n SER 154 Cb 0.59 0.25 -0.08 0.00 -1.01 0.00 0.00 64.21 63.96 3gbu n SER 154 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3gbu s SER 155 N -2.82 4.33 0.29 6.43 0.01 -0.91 -5.07 113.70 115.96 3gbu s SER 155 Ca 0.00 -0.70 -0.27 0.00 1.31 0.00 0.00 55.95 56.29 3gbu s SER 155 Cb 0.00 -0.73 -0.09 0.00 0.21 0.00 0.00 66.02 65.41 3gbu s SER 155 CO 0.00 0.03 0.94 -0.76 0.41 0.00 0.00 173.24 173.85 3gbu s LEU 156 N -3.50 4.46 -0.10 2.44 1.43 -0.73 -4.68 118.68 118.00 3gbu s LEU 156 Ca 0.30 1.87 0.02 0.00 -1.03 0.00 0.00 54.13 55.29 3gbu s LEU 156 Cb -0.07 -3.85 -0.01 0.00 0.03 0.00 0.00 46.19 42.29 3gbu s LEU 156 CO 0.18 0.02 -0.18 -0.63 0.23 0.00 0.00 176.35 175.98 3gbu s ILE 157 N -1.45 2.64 -0.00 -0.59 1.01 -1.26 -0.72 121.20 120.84 3gbu s ILE 157 Ca 0.46 -0.82 0.07 0.00 0.00 0.00 0.00 60.65 60.36 3gbu s ILE 157 Cb -0.21 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.17 3gbu s ILE 157 CO 0.27 0.55 -0.20 0.00 0.00 0.00 0.00 174.94 175.56 3gbu s ALA 158 N 0.15 2.46 -0.11 9.38 0.00 0.34 -0.07 121.76 133.91 3gbu s ALA 158 Ca -0.10 -1.12 -0.05 0.00 0.00 0.00 0.00 51.96 50.70 3gbu s ALA 158 Cb -0.16 -0.73 0.05 0.00 0.00 0.00 0.00 23.12 22.29 3gbu s ALA 158 CO 0.06 0.55 0.24 0.12 0.00 0.00 0.00 175.76 176.73 3gbu s PHE 159 N -0.77 -0.35 -0.36 0.00 5.36 0.30 -1.88 117.98 120.28 3gbu s PHE 159 Ca 0.12 0.84 -0.13 0.00 -0.96 0.00 0.00 56.93 56.80 3gbu s PHE 159 Cb -0.10 -0.03 -0.01 0.00 -0.34 0.00 0.00 43.02 42.54 3gbu s PHE 159 CO 0.02 -0.29 0.25 0.34 -1.46 0.00 0.00 175.22 174.08 3gbu s ASP 160 N 1.89 6.07 0.41 6.13 -1.08 -1.26 -0.85 116.67 127.98 3gbu s ASP 160 Ca -0.03 -0.53 0.17 0.00 -0.52 0.00 0.00 52.55 51.64 3gbu s ASP 160 Cb -0.11 -2.14 1.06 0.00 -1.46 0.00 0.00 42.92 40.26 3gbu s ASP 160 CO -0.08 -0.28 1.85 0.58 0.52 0.00 0.00 175.17 177.75 3gbu h VAL 161 N 5.52 0.68 -6.31 1.11 2.07 -1.21 -3.38 116.25 114.72 3gbu h VAL 161 Ca -0.30 -0.15 -0.13 0.00 0.82 0.00 0.00 66.70 66.94 3gbu h VAL 161 Cb 1.15 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3gbu h VAL 161 CO 0.65 0.08 -0.25 -3.20 0.02 0.00 0.00 177.57 174.87 3gbu n ASN 162 N -4.53 -1.04 -4.69 0.57 5.15 -1.26 -4.77 115.26 104.69 3gbu n ASN 162 Ca 0.20 -0.27 -0.42 0.00 -0.60 0.00 0.00 54.58 53.49 3gbu n ASN 162 Cb 0.70 -0.37 -0.03 0.00 -0.53 0.00 0.00 39.78 39.55 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 -4.05 4.29 -0.49 1.20 0.20 -1.26 -4.52 118.68 114.05 3gbu s LEU 163 Ca 0.05 1.96 0.03 0.00 0.69 0.00 0.00 54.13 56.86 3gbu s LEU 163 Cb -0.03 -3.56 0.15 0.00 -0.43 0.00 0.00 46.19 42.32 3gbu s LEU 163 CO 0.22 -0.66 0.30 -0.13 -0.29 0.00 0.00 176.35 175.79 3gbu s ARG 164 N 2.40 1.48 0.32 1.98 1.81 -1.26 -4.98 118.95 120.70 3gbu s ARG 164 Ca 0.60 -2.30 0.09 0.00 -1.72 0.00 0.00 55.73 52.40 3gbu s ARG 164 Cb -0.28 -2.46 0.84 0.00 -0.45 0.00 0.00 34.95 32.61 3gbu s ARG 164 CO 0.24 -1.21 1.76 -0.07 -0.68 0.00 0.00 175.30 175.34 3gbu h LEU 165 N 6.32 0.70 -1.28 2.53 3.38 -1.99 -0.88 115.31 124.09 3gbu h LEU 165 Ca 0.05 0.11 0.15 0.00 0.09 0.00 0.00 57.88 58.28 3gbu h LEU 165 Cb 0.89 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.56 3gbu h LEU 165 CO 0.52 0.19 0.58 0.44 0.09 0.00 0.00 178.44 180.27 3gbu h ASP 166 N 0.65 0.65 0.72 -0.43 3.32 -2.00 0.24 116.42 119.58 3gbu h ASP 166 Ca 0.60 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.69 3gbu h ASP 166 Cb 1.08 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.55 3gbu h ASP 166 CO -0.40 0.32 0.00 0.18 -1.72 0.00 0.00 179.24 177.62 3gbu n LEU 167 N -4.57 0.27 -0.37 1.55 4.77 -0.34 -3.16 117.00 115.15 3gbu n LEU 167 Ca 0.18 0.56 0.03 0.00 -0.03 0.00 0.00 56.01 56.75 3gbu n LEU 167 Cb 0.49 -0.51 0.08 0.00 -2.33 0.00 0.00 43.42 41.15 3gbu n LEU 167 CO 0.29 -0.30 0.52 0.79 -1.33 0.00 0.00 177.39 177.36 3gbu n TRP 168 N -1.78 0.21 -1.64 -1.77 7.02 0.82 -4.92 117.44 115.38 3gbu n TRP 168 Ca 0.04 -0.37 -0.47 0.00 -1.02 0.00 0.00 57.50 55.67 3gbu n TRP 168 Cb 0.23 -0.03 -0.04 0.00 -2.42 0.00 0.00 31.31 29.06 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 0.20 1.73 -0.35 -0.99 1.85 -0.97 -0.58 116.66 117.55 3gbu n ARG 169 Ca 0.06 0.62 0.00 0.00 -1.00 0.00 0.00 57.85 57.53 3gbu n ARG 169 Cb 0.31 -2.27 0.00 0.00 -1.05 0.00 0.00 32.46 29.45 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 2.50 1.10 1.66 2.89 0.00 -1.26 -4.80 105.19 107.28 3gbu n GLY 170 Ca 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.00 0.47 0.31 1.61 10.64 0.25 -4.93 117.38 123.73 3gbu n GLN 171 Ca 0.00 -1.56 0.19 0.00 -1.83 0.00 0.00 57.00 53.80 3gbu n GLN 171 Cb 0.00 0.13 1.05 0.00 -0.86 0.00 0.00 30.24 30.56 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 0.74 0.00 -0.18 2.61 9.09 -1.77 -1.20 114.58 123.87 3gbu h GLU 172 Ca -0.42 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 58.88 3gbu h GLU 172 Cb 1.49 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.59 3gbu h GLU 172 CO -0.12 0.00 -0.34 0.93 0.05 0.00 0.00 179.01 179.53 3gbu h GLU 173 N 0.00 0.54 -1.84 1.06 5.08 -1.91 -2.47 114.58 115.04 3gbu h GLU 173 Ca 0.01 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 3gbu h GLU 173 Cb 0.17 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3gbu h GLU 173 CO -0.00 0.95 0.00 -1.91 -1.00 0.00 0.00 179.01 177.05 3gbu n GLU 174 N -4.32 0.38 0.00 2.33 4.07 -0.45 -2.89 120.64 119.75 3gbu n GLU 174 Ca -0.06 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.04 3gbu n GLU 174 Cb 0.50 -1.31 0.00 0.00 -0.06 0.00 0.00 31.44 30.57 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 1.40 0.00 -0.04 6.31 2.08 -0.93 -1.07 119.36 127.11 3gbu n ILE 176 Ca 0.00 0.00 -0.11 0.00 0.56 0.00 0.00 62.75 63.20 3gbu n ILE 176 Cb 0.19 0.00 -0.05 0.00 -0.75 0.00 0.00 39.64 39.03 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 0.24 -0.26 0.38 1.57 -1.83 -0.98 116.57 115.69 3gbu h LYS 177 Ca 0.00 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3gbu h LYS 177 Cb 0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3gbu h LYS 177 CO 0.00 0.34 0.11 0.28 -0.57 0.00 0.00 179.45 179.61 3gbu h VAL 178 N 0.10 0.97 -0.52 0.50 2.07 -1.40 0.67 116.25 118.64 3gbu h VAL 178 Ca 0.05 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 3gbu h VAL 178 Cb 0.19 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3gbu h VAL 178 CO -0.00 0.05 0.26 -0.07 0.02 0.00 0.00 177.57 177.82 3gbu h LEU 179 N 0.25 0.67 -0.53 2.57 3.38 -1.79 0.12 115.31 119.98 3gbu h LEU 179 Ca 0.11 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3gbu h LEU 179 Cb 0.05 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3gbu h LEU 179 CO -0.09 0.60 0.16 -0.08 0.09 0.00 0.00 178.44 179.12 3gbu h GLU 180 N 0.69 0.83 -0.58 1.13 4.81 -0.92 -0.20 114.58 120.34 3gbu h GLU 180 Ca 0.18 -0.18 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 3gbu h GLU 180 Cb 0.10 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 3gbu h GLU 180 CO -0.02 0.77 0.14 1.49 -0.73 0.00 0.00 179.01 180.65 3gbu h GLU 181 N 0.73 0.93 -0.58 1.92 4.81 -0.60 -0.83 114.58 120.95 3gbu h GLU 181 Ca 0.17 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3gbu h GLU 181 Cb 0.29 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 3gbu h GLU 181 CO -0.00 0.86 0.32 0.77 -0.73 0.00 0.00 179.01 180.23 3gbu h SER 182 N 0.84 0.73 -0.50 1.04 0.02 -0.52 -2.18 113.55 112.97 3gbu h SER 182 Ca 0.18 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 3gbu h SER 182 Cb 0.36 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 3gbu h SER 182 CO 0.00 0.61 0.19 0.40 -1.14 0.00 0.00 176.83 176.90 3gbu h ILE 183 N 0.79 1.22 0.00 3.27 2.04 -0.80 -2.13 117.51 121.90 3gbu h ILE 183 Ca 0.21 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.38 3gbu h ILE 183 Cb 0.05 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 3gbu h ILE 183 CO -0.03 0.26 0.00 0.11 0.00 0.00 0.00 178.15 178.48 3gbu h LYS 184 N 0.67 0.00 0.00 2.37 1.57 -0.83 -1.58 116.57 118.77 3gbu h LYS 184 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3gbu h LYS 184 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3gbu h LYS 184 CO -0.01 0.00 -0.84 1.28 -0.57 0.00 0.00 179.45 179.30 3gbu n LEU 185 N -2.95 0.71 -4.83 2.94 4.77 -0.85 -4.94 117.00 111.85 3gbu n LEU 185 Ca -0.01 0.19 -0.37 0.00 -0.03 0.00 0.00 56.01 55.78 3gbu n LEU 185 Cb 0.16 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 3gbu n LEU 185 CO 0.22 -0.07 0.18 0.00 -1.33 0.00 0.00 177.39 176.39 3gbu s ALA 186 N -3.23 3.64 -0.12 -1.18 0.00 -0.60 -4.74 121.76 115.54 3gbu s ALA 186 Ca 0.04 -0.13 0.09 0.00 0.00 0.00 0.00 51.96 51.96 3gbu s ALA 186 Cb 0.13 -2.49 -0.24 0.00 0.00 0.00 0.00 23.12 20.52 3gbu s ALA 186 CO 0.76 0.46 0.38 -0.25 0.00 0.00 0.00 175.76 177.11 3gbu n ASP 187 N 1.54 1.04 -4.08 0.00 8.00 0.89 -2.17 116.55 121.77 3gbu n ASP 187 Ca -0.11 0.22 -0.32 0.00 0.71 0.00 0.00 54.79 55.29 3gbu n ASP 187 Cb 0.52 -0.02 -0.15 0.00 -0.02 0.00 0.00 41.12 41.44 3gbu n ASP 187 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3gbu s ILE 188 N -2.56 2.11 -0.11 0.53 1.01 0.15 -1.21 121.20 121.11 3gbu s ILE 188 Ca -0.12 -1.38 0.01 0.00 0.00 0.00 0.00 60.65 59.15 3gbu s ILE 188 Cb 0.07 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.41 3gbu s ILE 188 CO 0.79 0.17 -0.14 -0.69 0.00 0.00 0.00 174.94 175.07 3gbu s VAL 189 N 1.18 2.97 -0.07 2.92 1.01 -0.38 -0.54 120.40 127.49 3gbu s VAL 189 Ca -0.04 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.28 3gbu s VAL 189 Cb -0.18 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 3gbu s VAL 189 CO -0.08 0.54 -0.20 -0.75 0.00 0.00 0.00 175.10 174.61 3gbu s LYS 190 N 0.15 2.70 0.13 2.72 2.20 -0.03 -0.20 119.74 127.40 3gbu s LYS 190 Ca -0.07 -0.82 -0.24 0.00 -0.36 0.00 0.00 55.97 54.48 3gbu s LYS 190 Cb -0.15 -2.30 0.07 0.00 -1.51 0.00 0.00 37.83 33.94 3gbu s LYS 190 CO 0.05 0.41 0.66 0.00 -0.36 0.00 0.00 175.35 176.11 3gbu s ALA 191 N -0.20 -1.63 0.45 3.13 0.00 -0.54 -0.54 121.76 122.43 3gbu s ALA 191 Ca -0.01 0.55 -0.01 0.00 0.00 0.00 0.00 51.96 52.49 3gbu s ALA 191 Cb -0.13 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 23.77 3gbu s ALA 191 CO 0.03 -0.77 0.68 -1.54 0.00 0.00 0.00 175.76 174.17 3gbu s SER 192 N -2.71 5.91 0.17 0.00 1.04 -1.26 0.38 113.70 117.23 3gbu s SER 192 Ca 0.02 0.40 -0.14 0.00 0.48 0.00 0.00 55.95 56.71 3gbu s SER 192 Cb -0.01 -1.67 0.06 0.00 0.10 0.00 0.00 66.02 64.50 3gbu s SER 192 CO -0.11 -0.67 1.81 -0.08 0.98 0.00 0.00 173.24 175.17 3gbu h GLU 193 N 0.38 0.71 -0.48 4.02 4.81 -0.98 -1.34 114.58 121.70 3gbu h GLU 193 Ca -0.47 -0.06 0.09 0.00 -0.13 0.00 0.00 59.36 58.79 3gbu h GLU 193 Cb 1.24 -0.15 -0.07 0.00 0.63 0.00 0.00 28.75 30.40 3gbu h GLU 193 CO 0.58 0.50 0.04 0.93 -0.73 0.00 0.00 179.01 180.34 3gbu h GLU 194 N 0.71 0.16 -0.70 1.92 3.07 -1.94 -0.62 114.58 117.18 3gbu h GLU 194 Ca 0.19 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.99 3gbu h GLU 194 Cb -0.03 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 27.81 3gbu h GLU 194 CO -0.04 0.11 0.22 0.93 -1.40 0.00 0.00 179.01 178.83 3gbu h GLU 195 N 0.17 1.07 -0.07 2.33 5.08 -1.86 -1.03 114.58 120.27 3gbu h GLU 195 Ca 0.24 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3gbu h GLU 195 Cb 0.34 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 3gbu h GLU 195 CO -0.36 0.91 0.04 0.28 -1.00 0.00 0.00 179.01 178.88 3gbu h VAL 196 N 1.03 1.01 -0.32 3.13 2.07 -0.12 -0.51 116.25 122.54 3gbu h VAL 196 Ca 0.23 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.72 3gbu h VAL 196 Cb 0.29 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3gbu h VAL 196 CO -0.01 0.02 0.21 0.25 0.02 0.00 0.00 177.57 178.06 3gbu h LEU 197 N 0.08 0.37 -0.02 2.57 5.85 -0.94 -1.22 115.31 122.00 3gbu h LEU 197 Ca 0.03 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.74 3gbu h LEU 197 Cb -0.00 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 3gbu h LEU 197 CO -0.01 0.27 -0.01 0.22 -0.34 0.00 0.00 178.44 178.56 3gbu h TYR 198 N 0.43 -0.03 -0.14 1.25 3.20 -0.97 -2.13 116.97 118.58 3gbu h TYR 198 Ca 0.12 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.92 3gbu h TYR 198 Cb -0.05 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 3gbu h TYR 198 CO -0.05 -0.02 -0.23 -0.07 -1.64 0.00 0.00 178.16 176.14 3gbu h LEU 199 N -0.02 0.25 -0.27 2.82 3.38 -0.96 -2.94 115.31 117.56 3gbu h LEU 199 Ca 0.01 -0.07 -0.20 0.00 0.09 0.00 0.00 57.88 57.72 3gbu h LEU 199 Cb 0.04 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3gbu h LEU 199 CO -0.03 0.49 -0.64 -0.33 0.09 0.00 0.00 178.44 178.02 3gbu h GLU 200 N 0.23 0.80 0.00 1.13 5.08 -1.06 0.24 114.58 120.99 3gbu h GLU 200 Ca 0.04 -0.56 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 3gbu h GLU 200 Cb 0.54 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3gbu h GLU 200 CO 0.04 1.19 0.04 -0.91 -1.00 0.00 0.00 179.01 178.36 3gbu h ASN 201 N 0.59 0.00 -0.42 1.42 -0.26 -1.21 1.88 115.58 117.57 3gbu h ASN 201 Ca -0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 3gbu h ASN 201 Cb 1.25 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.51 3gbu h ASN 201 CO 0.13 0.00 0.00 0.00 -1.06 0.00 0.00 177.43 176.50 3gbu n GLN 202 N -2.88 2.36 -1.12 0.81 1.13 -0.81 -4.93 117.38 111.94 3gbu n GLN 202 Ca -0.03 -2.07 -0.03 0.00 -1.94 0.00 0.00 57.00 52.94 3gbu n GLN 202 Cb 0.10 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 28.95 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 1.44 0.59 3.33 1.08 0.00 0.64 -5.03 105.19 107.24 3gbu n GLY 203 Ca 0.19 -0.94 -0.36 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.11 3.72 0.02 1.61 1.01 0.78 -4.96 120.40 120.47 3gbu s VAL 204 Ca 0.00 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.07 3gbu s VAL 204 Cb 0.00 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 3gbu s VAL 204 CO 0.00 0.22 1.11 -0.70 0.00 0.00 0.00 175.10 175.74 3gbu s GLU 205 N 1.49 4.47 -0.87 2.72 2.12 -1.26 -2.99 118.70 124.37 3gbu s GLU 205 Ca 0.04 1.62 -0.10 0.00 0.36 0.00 0.00 54.97 56.88 3gbu s GLU 205 Cb -0.16 -3.42 0.22 0.00 0.26 0.00 0.00 34.13 31.04 3gbu s GLU 205 CO 0.00 -0.20 0.80 0.08 -0.54 0.00 0.00 175.26 175.40 3gbu s VAL 206 N 1.20 5.32 -0.11 3.70 1.01 -1.26 -4.95 120.40 125.30 3gbu s VAL 206 Ca 0.56 -2.88 -0.13 0.00 0.00 0.00 0.00 61.98 59.53 3gbu s VAL 206 Cb -0.26 -4.28 0.03 0.00 0.00 0.00 0.00 36.38 31.87 3gbu s VAL 206 CO 0.28 -1.05 0.35 -0.54 0.00 0.00 0.00 175.10 174.13 3gbu s LYS 207 N -0.33 0.45 0.50 2.72 1.02 -1.26 -5.03 119.74 117.80 3gbu s LYS 207 Ca 0.22 0.39 -0.06 0.00 0.02 0.00 0.00 55.97 56.53 3gbu s LYS 207 Cb -0.11 0.21 -0.04 0.00 -0.52 0.00 0.00 37.83 37.37 3gbu s LYS 207 CO -0.08 -0.07 0.82 0.20 -0.92 0.00 0.00 175.35 175.30 3gbu s GLY 208 N -0.03 1.54 0.00 -3.33 0.00 -1.26 -4.81 107.32 99.43 3gbu s GLY 208 Ca -0.02 -0.44 0.05 0.00 0.00 0.00 0.00 44.72 44.32 3gbu s GLY 208 CO 0.01 -0.26 0.87 -1.14 0.00 0.00 0.00 173.10 172.58 3gbu n SER 209 N -2.28 0.00 -4.77 1.64 3.41 -0.92 -4.72 113.62 105.98 3gbu n SER 209 Ca 0.01 -1.07 -0.40 0.00 -0.26 0.00 0.00 58.87 57.15 3gbu n SER 209 Cb 0.55 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.48 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 -1.26 4.36 -0.11 1.04 2.96 -0.35 -4.86 118.68 120.45 3gbu s LEU 211 Ca 0.08 2.69 0.00 0.00 -0.22 0.00 0.00 54.13 56.68 3gbu s LEU 211 Cb 0.04 -3.73 0.02 0.00 0.50 0.00 0.00 46.19 43.02 3gbu s LEU 211 CO 0.06 -0.64 -0.10 -0.89 -1.32 0.00 0.00 176.35 173.47 3gbu s THR 212 N -1.18 1.13 -0.31 3.68 2.01 -0.13 -1.25 115.64 119.58 3gbu s THR 212 Ca 0.51 -0.38 -0.04 0.00 0.31 0.00 0.00 61.69 62.09 3gbu s THR 212 Cb -0.39 -1.11 0.04 0.00 0.01 0.00 0.00 72.50 71.05 3gbu s THR 212 CO 0.52 0.38 0.05 0.00 -0.69 0.00 0.00 174.62 174.88 3gbu s ALA 213 N 1.47 2.94 -0.25 7.40 0.00 0.72 -0.25 121.76 133.78 3gbu s ALA 213 Ca 0.01 -1.69 -0.09 0.00 0.00 0.00 0.00 51.96 50.19 3gbu s ALA 213 Cb -0.13 -2.09 -0.04 0.00 0.00 0.00 0.00 23.12 20.86 3gbu s ALA 213 CO -0.06 -1.22 0.11 0.42 0.00 0.00 0.00 175.76 175.01 3gbu s ILE 214 N 1.36 4.75 -0.03 0.00 -1.09 0.40 -1.47 121.20 125.11 3gbu s ILE 214 Ca -0.02 -0.02 -0.25 0.00 -2.23 0.00 0.00 60.65 58.12 3gbu s ILE 214 Cb -0.19 -3.23 -0.04 0.00 -1.58 0.00 0.00 42.46 37.42 3gbu s ILE 214 CO 0.01 0.32 0.76 0.42 -1.23 0.00 0.00 174.94 175.22 3gbu s THR 215 N 1.50 4.95 -0.77 2.92 -4.23 0.16 0.02 115.64 120.19 3gbu s THR 215 Ca 0.06 1.58 0.02 0.00 -1.18 0.00 0.00 61.69 62.18 3gbu s THR 215 Cb -0.15 -4.10 0.32 0.00 1.34 0.00 0.00 72.50 69.91 3gbu s THR 215 CO 0.06 0.26 1.27 0.18 -0.54 0.00 0.00 174.62 175.85 3gbu n LEU 216 N 3.58 5.56 0.00 4.79 4.77 0.29 -0.29 117.00 135.70 3gbu n LEU 216 Ca -0.00 -5.53 0.00 0.00 -0.03 0.00 0.00 56.01 50.44 3gbu n LEU 216 Cb 0.51 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 3gbu n LEU 216 CO 0.48 2.18 0.00 0.61 -1.33 0.00 0.00 177.39 179.33 3gbu n GLY 217 N 0.01 0.89 0.29 -0.72 0.00 -1.26 -2.75 105.19 101.66 3gbu n GLY 217 Ca 0.36 -0.80 0.16 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.40 1.61 0.11 -2.03 -3.06 132.00 128.22 3gbu h PRO 218 Ca 0.00 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.19 3gbu h PRO 218 Cb 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.03 3gbu h PRO 218 CO 0.00 0.05 -0.17 0.87 -0.21 0.00 0.00 178.00 178.54 3gbu h LYS 219 N 0.00 -0.09 0.00 1.05 1.57 -1.92 -3.40 116.57 113.78 3gbu h LYS 219 Ca -0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3gbu h LYS 219 Cb 0.17 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3gbu h LYS 219 CO 0.01 -0.06 0.00 0.41 -0.57 0.00 0.00 179.45 179.24 3gbu n GLY 220 N -1.36 -0.30 3.28 3.86 0.00 -1.16 -0.80 105.19 108.72 3gbu n GLY 220 Ca 0.02 -1.03 -0.15 0.00 0.00 0.00 0.00 46.02 44.86 3gbu n GLY 220 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3gbu s PHE 221 N -3.61 1.41 -0.05 1.61 -0.12 -0.95 0.10 117.98 116.38 3gbu s PHE 221 Ca 0.00 -1.25 0.03 0.00 -0.05 0.00 0.00 56.93 55.66 3gbu s PHE 221 Cb 0.00 -0.79 0.01 0.00 -0.63 0.00 0.00 43.02 41.61 3gbu s PHE 221 CO 0.00 -0.43 -0.11 0.50 -0.05 0.00 0.00 175.22 175.12 3gbu s ARG 222 N -4.07 1.39 -0.16 1.99 3.52 0.10 -1.34 118.95 120.37 3gbu s ARG 222 Ca 0.38 -0.39 -0.04 0.00 -0.13 0.00 0.00 55.73 55.55 3gbu s ARG 222 Cb 0.08 -1.21 -0.03 0.00 -1.56 0.00 0.00 34.95 32.23 3gbu s ARG 222 CO 0.13 0.09 -0.04 -0.51 -0.81 0.00 0.00 175.30 174.16 3gbu s LEU 223 N 0.39 3.22 -0.15 -0.88 1.43 -0.12 -0.45 118.68 122.13 3gbu s LEU 223 Ca -0.08 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 3gbu s LEU 223 Cb -0.12 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.34 3gbu s LEU 223 CO 0.02 0.16 -0.18 -0.63 0.23 0.00 0.00 176.35 175.95 3gbu s ILE 224 N 0.43 1.82 -0.38 -0.59 1.09 0.65 -0.58 121.20 123.64 3gbu s ILE 224 Ca -0.04 -0.81 0.02 0.00 -1.10 0.00 0.00 60.65 58.73 3gbu s ILE 224 Cb -0.14 -1.65 0.11 0.00 -1.06 0.00 0.00 42.46 39.72 3gbu s ILE 224 CO 0.03 0.50 0.11 -0.75 -0.10 0.00 0.00 174.94 174.73 3gbu s LYS 225 N 1.16 1.66 4.68 2.79 2.20 0.55 -0.96 119.74 131.81 3gbu s LYS 225 Ca -0.01 -1.95 0.00 0.00 -0.36 0.00 0.00 55.97 53.66 3gbu s LYS 225 Cb -0.14 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 3gbu s LYS 225 CO -0.07 -0.99 0.00 -1.71 -0.36 0.00 0.00 175.35 172.22 3gbu n ASN 226 N 4.21 0.00 -0.25 1.43 5.15 -1.26 -1.22 115.26 123.31 3gbu n ASN 226 Ca 0.03 0.00 0.03 0.00 -0.60 0.00 0.00 54.58 54.04 3gbu n ASN 226 Cb 0.41 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.68 3gbu n ASN 226 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 3gbu n GLU 227 N 0.00 0.56 -3.06 1.20 2.13 -1.26 -4.97 120.64 115.25 3gbu n GLU 227 Ca 0.00 -0.81 -0.41 0.00 0.66 0.00 0.00 57.16 56.59 3gbu n GLU 227 Cb 0.00 -1.10 -0.06 0.00 0.27 0.00 0.00 31.44 30.55 3gbu n GLU 227 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3gbu s THR 228 N -0.71 4.90 0.05 6.31 2.01 -0.36 -5.06 115.64 122.78 3gbu s THR 228 Ca 0.08 1.01 0.03 0.00 0.31 0.00 0.00 61.69 63.12 3gbu s THR 228 Cb 0.06 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 3gbu s THR 228 CO 0.11 -0.15 0.00 -0.69 -0.69 0.00 0.00 174.62 173.20 3gbu s VAL 229 N 2.70 4.09 -0.20 3.82 1.01 -1.26 -0.33 120.40 130.24 3gbu s VAL 229 Ca 0.28 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 3gbu s VAL 229 Cb -0.15 -2.90 0.09 0.00 0.00 0.00 0.00 36.38 33.43 3gbu s VAL 229 CO 0.11 0.23 0.25 -0.69 0.00 0.00 0.00 175.10 175.00 3gbu s VAL 230 N -1.22 -0.37 0.13 2.92 1.01 0.25 -5.00 120.40 118.12 3gbu s VAL 230 Ca 0.23 -0.06 -0.20 0.00 0.00 0.00 0.00 61.98 61.95 3gbu s VAL 230 Cb -0.12 -0.66 -0.07 0.00 0.00 0.00 0.00 36.38 35.53 3gbu s VAL 230 CO 0.15 -0.15 0.64 -1.81 0.00 0.00 0.00 175.10 173.93 3gbu s ASP 231 N 2.36 7.11 -0.12 3.32 1.01 -1.26 -0.94 116.67 128.15 3gbu s ASP 231 Ca 0.07 1.35 -0.01 0.00 0.71 0.00 0.00 52.55 54.67 3gbu s ASP 231 Cb -0.15 -2.39 0.04 0.00 1.01 0.00 0.00 42.92 41.42 3gbu s ASP 231 CO -0.12 0.20 -0.02 -0.69 0.21 0.00 0.00 175.17 174.75 3gbu s VAL 232 N -1.23 0.68 0.29 -1.27 1.01 -0.45 -5.00 120.40 114.44 3gbu s VAL 232 Ca 0.34 -0.25 -0.28 0.00 0.00 0.00 0.00 61.98 61.78 3gbu s VAL 232 Cb -0.19 -0.89 -0.09 0.00 0.00 0.00 0.00 36.38 35.20 3gbu s VAL 232 CO 0.21 0.15 1.01 -2.16 0.00 0.00 0.00 175.10 174.32 3gbu s PRO 233 N 1.83 4.63 -0.11 2.72 0.04 -1.26 -2.24 135.00 140.62 3gbu s PRO 233 Ca 0.03 1.58 -0.29 0.00 0.04 0.00 0.00 61.00 62.35 3gbu s PRO 233 Cb -0.14 -3.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.31 3gbu s PRO 233 CO -0.07 0.27 1.42 -1.54 0.04 0.00 0.00 177.00 177.13 3gbu s SER 234 N -1.20 6.83 0.04 6.66 1.04 0.02 -4.93 113.70 122.17 3gbu s SER 234 Ca 0.46 1.93 -0.34 0.00 0.48 0.00 0.00 55.95 58.48 3gbu s SER 234 Cb -0.26 -2.54 -0.18 0.00 0.10 0.00 0.00 66.02 63.14 3gbu s SER 234 CO 0.33 -0.82 0.87 -1.22 0.98 0.00 0.00 173.24 173.38 3gbu n TYR 235 N 6.72 0.35 -2.29 5.02 4.01 -1.26 -4.74 117.16 124.96 3gbu n TYR 235 Ca 0.15 0.96 -0.34 0.00 -0.16 0.00 0.00 57.90 58.51 3gbu n TYR 235 Cb 0.44 -1.90 -0.04 0.00 -0.31 0.00 0.00 39.34 37.53 3gbu n TYR 235 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 3gbu s ASN 236 N -0.21 5.80 0.41 7.72 2.47 -1.26 -4.93 114.94 124.94 3gbu s ASN 236 Ca 0.78 -1.54 0.07 0.00 0.42 0.00 0.00 52.86 52.60 3gbu s ASN 236 Cb -1.10 -2.58 -0.07 0.00 -1.45 0.00 0.00 41.25 36.06 3gbu s ASN 236 CO 0.52 -2.21 0.09 0.68 -3.72 0.00 0.00 177.10 172.47 3gbu s VAL 237 N 7.88 2.15 -0.54 -5.21 -7.23 -1.26 -5.10 120.40 111.09 3gbu s VAL 237 Ca 0.61 -1.86 -0.10 0.00 -1.81 0.00 0.00 61.98 58.81 3gbu s VAL 237 Cb -0.01 -2.99 0.14 0.00 0.56 0.00 0.00 36.38 34.07 3gbu s VAL 237 CO 0.03 -0.00 0.43 0.20 -0.31 0.00 0.00 175.10 175.45 3gbu s ASN 238 N -3.80 5.87 0.87 4.85 0.01 -1.26 -5.08 114.94 116.40 3gbu s ASN 238 Ca 0.38 -2.06 -0.14 0.00 -0.71 0.00 0.00 52.86 50.32 3gbu s ASN 238 Cb 0.07 -2.06 -0.01 0.00 0.41 0.00 0.00 41.25 39.66 3gbu s ASN 238 CO 0.20 -0.68 0.31 -0.81 -1.51 0.00 0.00 177.10 174.61 3gbu n PRO 239 N 4.74 -0.05 0.00 -0.60 -0.04 -1.26 -4.93 135.00 132.86 3gbu n PRO 239 Ca -0.05 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 3gbu n PRO 239 Cb 0.41 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 3gbu n PRO 239 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3gbu n LEU 240 N -0.40 0.00 -3.15 1.53 7.94 -0.72 -5.01 117.00 117.19 3gbu n LEU 240 Ca 0.07 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 55.03 3gbu n LEU 240 Cb 0.52 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.46 3gbu n LEU 240 CO 0.51 0.00 0.74 -0.62 -1.11 0.00 0.00 177.39 176.91 3gbu s ASP 241 N -0.90 -0.12 -0.15 1.96 2.15 0.18 -4.95 116.67 114.85 3gbu s ASP 241 Ca 0.00 0.07 0.15 0.00 0.43 0.00 0.00 52.55 53.20 3gbu s ASP 241 Cb 0.00 1.10 0.68 0.00 -0.30 0.00 0.00 42.92 44.40 3gbu s ASP 241 CO 0.00 -0.02 1.57 0.35 -0.17 0.00 0.00 175.17 176.90 3gbu n THR 242 N 5.47 1.98 0.00 1.71 -2.24 -1.26 -3.62 114.28 116.32 3gbu n THR 242 Ca -0.08 -1.13 0.00 0.00 -2.27 0.00 0.00 64.05 60.57 3gbu n THR 242 Cb 0.55 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 3gbu n THR 242 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3gbu n THR 243 N 0.81 0.00 0.16 4.28 -1.04 -1.26 -2.36 114.28 114.87 3gbu n THR 243 Ca 0.24 1.09 0.02 0.00 -2.04 0.00 0.00 64.05 63.35 3gbu n THR 243 Cb 0.93 -1.70 0.17 0.00 -1.82 0.00 0.00 70.33 67.91 3gbu n THR 243 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gbu n GLY 244 N -0.91 2.25 0.28 3.41 0.00 -1.22 -4.29 105.19 104.71 3gbu n GLY 244 Ca 0.00 -0.41 0.01 0.00 0.00 0.00 0.00 46.02 45.62 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 2.74 1.05 -0.78 4.61 0.00 -1.66 0.11 119.26 125.35 3gbu h ALA 245 Ca 0.03 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3gbu h ALA 245 Cb 1.22 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 3gbu h ALA 245 CO 0.24 0.05 0.29 0.78 0.00 0.00 0.00 179.25 180.61 3gbu h GLY 246 N 0.71 1.26 2.00 0.00 0.00 -1.77 0.65 103.07 105.93 3gbu h GLY 246 Ca 0.36 -0.70 -0.14 0.00 0.00 0.00 0.00 47.33 46.85 3gbu h GLY 246 CO -0.24 0.66 -0.67 -0.55 0.00 0.00 0.00 176.54 175.74 3gbu h ASP 247 N 1.14 0.00 -0.39 0.19 3.32 -1.71 -2.98 116.42 115.99 3gbu h ASP 247 Ca 0.26 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.20 3gbu h ASP 247 Cb 0.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3gbu h ASP 247 CO -0.02 0.67 -0.17 0.00 -1.72 0.00 0.00 179.24 178.00 3gbu h ALA 248 N 1.33 0.55 0.00 3.45 0.00 -0.42 -0.63 119.26 123.54 3gbu h ALA 248 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3gbu h ALA 248 Cb 1.34 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3gbu h ALA 248 CO 0.09 0.48 0.00 0.34 0.00 0.00 0.00 179.25 180.16 3gbu n PHE 249 N -4.26 0.00 0.00 0.00 7.35 0.19 -1.11 117.46 119.62 3gbu n PHE 249 Ca -0.02 -0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.67 3gbu n PHE 249 Cb 0.41 -0.02 0.00 0.00 0.35 0.00 0.00 39.48 40.23 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 0.57 0.00 -0.12 3.13 0.00 -0.25 -1.12 120.51 122.72 3gbu n ALA 251 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 3gbu n ALA 251 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.67 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 1.29 -0.08 0.00 0.00 -1.38 -0.45 119.26 118.63 3gbu h ALA 252 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3gbu h ALA 252 Cb 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3gbu h ALA 252 CO 0.00 0.51 0.01 1.25 0.00 0.00 0.00 179.25 181.02 3gbu h LEU 253 N 0.78 0.13 -1.01 0.00 5.85 -1.38 0.22 115.31 119.91 3gbu h LEU 253 Ca 0.18 -0.28 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 3gbu h LEU 253 Cb 0.23 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3gbu h LEU 253 CO -0.01 0.38 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.35 3gbu h LEU 254 N -0.12 0.63 -0.20 2.25 3.38 -1.79 -0.73 115.31 118.73 3gbu h LEU 254 Ca 0.02 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 3gbu h LEU 254 Cb 0.31 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3gbu h LEU 254 CO 0.00 0.73 -0.36 0.58 0.09 0.00 0.00 178.44 179.48 3gbu h VAL 255 N 0.61 1.33 0.00 1.22 2.07 -0.96 -1.64 116.25 118.88 3gbu h VAL 255 Ca 0.12 -1.59 -0.04 0.00 0.82 0.00 0.00 66.70 66.01 3gbu h VAL 255 Cb 0.46 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 3gbu h VAL 255 CO 0.02 0.49 -0.18 1.23 0.02 0.00 0.00 177.57 179.16 3gbu h GLY 256 N 0.28 0.00 1.12 2.17 0.00 -0.27 0.37 103.07 106.74 3gbu h GLY 256 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.05 3gbu h GLY 256 CO 0.08 0.00 -1.24 -2.22 0.00 0.00 0.00 176.54 173.16 3gbu h ILE 257 N 0.00 1.33 0.00 2.60 2.04 -1.07 -1.88 117.51 120.53 3gbu h ILE 257 Ca -0.00 -2.56 0.00 0.00 1.00 0.00 0.00 64.86 63.30 3gbu h ILE 257 Cb 0.46 2.95 0.00 0.00 -0.74 0.00 0.00 36.82 39.48 3gbu h ILE 257 CO 0.02 0.76 -0.04 -0.11 0.00 0.00 0.00 178.15 178.79 3gbu n LEU 258 N -3.84 0.18 -0.11 1.44 0.00 -0.62 -4.13 117.00 109.91 3gbu n LEU 258 Ca -0.15 0.48 -0.21 0.00 0.00 0.00 0.00 56.01 56.13 3gbu n LEU 258 Cb 1.00 -0.45 -0.09 0.00 0.00 0.00 0.00 43.42 43.88 3gbu n LEU 258 CO 0.57 -0.02 -1.24 0.29 0.00 0.00 0.00 177.39 176.98 3gbu n LYS 259 N -1.64 0.50 -0.93 1.96 4.76 0.13 -5.00 118.16 117.94 3gbu n LYS 259 Ca 0.07 0.18 -0.30 0.00 -2.87 0.00 0.00 58.31 55.38 3gbu n LYS 259 Cb 0.36 -1.34 0.26 0.00 -1.84 0.00 0.00 35.03 32.46 3gbu n LYS 259 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3gbu s LEU 260 N -6.86 0.23 0.00 -0.35 1.43 -0.71 -5.02 118.68 107.40 3gbu s LEU 260 Ca -0.30 0.61 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 3gbu s LEU 260 Cb 0.10 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 44.09 3gbu s LEU 260 CO 0.43 -4.49 0.00 0.29 0.23 0.00 0.00 176.35 172.81 3gbu n LYS 261 N -5.01 0.00 -0.76 1.70 5.02 -1.26 -4.79 118.16 113.06 3gbu n LYS 261 Ca 0.14 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.28 3gbu n LYS 261 Cb 0.60 -0.54 0.09 0.00 -0.02 0.00 0.00 35.03 35.16 3gbu n LYS 261 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gbu n GLY 262 N 3.01 3.64 1.87 0.72 0.00 -1.26 -4.93 105.19 108.24 3gbu n GLY 262 Ca 0.00 -0.77 -0.03 0.00 0.00 0.00 0.00 46.02 45.22 3gbu n GLY 262 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3gbu n LEU 263 N -0.34 -0.20 -4.32 0.99 -0.00 -1.26 -4.86 117.00 107.01 3gbu n LEU 263 Ca 0.35 -0.05 -0.35 0.00 -0.00 0.00 0.00 56.01 55.96 3gbu n LEU 263 Cb 1.06 -0.15 -0.14 0.00 -0.00 0.00 0.00 43.42 44.20 3gbu n LEU 263 CO 0.37 0.02 -0.39 1.51 -0.00 0.00 0.00 177.39 178.90 3gbu s ASP 264 N -1.03 4.31 0.53 1.96 1.47 -1.26 -5.01 116.67 117.63 3gbu s ASP 264 Ca 0.02 -0.37 0.25 0.00 1.18 0.00 0.00 52.55 53.63 3gbu s ASP 264 Cb -0.00 -1.73 1.39 0.00 -0.34 0.00 0.00 42.92 42.23 3gbu s ASP 264 CO 0.08 -0.00 1.98 -0.07 0.68 0.00 0.00 175.17 177.84 3gbu h LEU 265 N 7.97 0.02 0.42 2.11 3.38 -1.98 -2.56 115.31 124.66 3gbu h LEU 265 Ca -0.40 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 3gbu h LEU 265 Cb 1.16 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3gbu h LEU 265 CO 0.60 0.01 -0.20 0.25 0.09 0.00 0.00 178.44 179.19 3gbu h LEU 266 N 0.02 -0.48 0.33 1.67 5.85 -1.98 0.62 115.31 121.34 3gbu h LEU 266 Ca 0.27 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 3gbu h LEU 266 Cb 1.06 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 3gbu h LEU 266 CO -0.01 -0.33 -0.42 0.11 -0.34 0.00 0.00 178.44 177.44 3gbu h LYS 267 N -0.58 -0.75 -0.92 1.25 1.57 -1.99 -2.03 116.57 113.12 3gbu h LYS 267 Ca -0.06 0.05 0.20 0.00 -1.87 0.00 0.00 60.65 58.97 3gbu h LYS 267 Cb 0.43 0.17 -0.17 0.00 0.08 0.00 0.00 32.23 32.74 3gbu h LYS 267 CO 0.09 -0.50 -0.16 1.25 -0.57 0.00 0.00 179.45 179.57 3gbu h LEU 268 N -0.77 -0.74 -1.28 2.94 5.85 -1.53 0.62 115.31 120.40 3gbu h LEU 268 Ca -0.04 0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 3gbu h LEU 268 Cb 0.70 0.54 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 3gbu h LEU 268 CO -0.10 -0.30 0.32 1.23 -0.34 0.00 0.00 178.44 179.25 3gbu h GLY 269 N 0.01 0.87 0.87 3.75 0.00 -0.53 -1.74 103.07 106.31 3gbu h GLY 269 Ca 0.47 -0.38 -0.10 0.00 0.00 0.00 0.00 47.33 47.33 3gbu h GLY 269 CO -0.92 0.36 -0.24 0.50 0.00 0.00 0.00 176.54 176.25 3gbu h LYS 270 N 0.83 0.55 -0.36 4.80 1.79 0.91 -2.02 116.57 123.07 3gbu h LYS 270 Ca 0.21 -0.30 -0.02 0.00 -2.18 0.00 0.00 60.65 58.36 3gbu h LYS 270 Cb 0.02 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.67 3gbu h LYS 270 CO -0.03 0.89 0.14 0.35 -1.08 0.00 0.00 179.45 179.72 3gbu h PHE 271 N 0.24 0.56 -0.42 -1.35 3.57 -0.96 -1.68 116.94 116.89 3gbu h PHE 271 Ca 0.03 -0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 3gbu h PHE 271 Cb 0.79 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 3gbu h PHE 271 CO 0.08 0.51 -0.14 0.00 -2.23 0.00 0.00 178.31 176.53 3gbu h ALA 272 N 0.99 0.95 -0.45 2.41 0.00 -1.37 -1.68 119.26 120.11 3gbu h ALA 272 Ca 0.12 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 3gbu h ALA 272 Cb 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3gbu h ALA 272 CO -0.01 0.61 -0.01 -0.97 0.00 0.00 0.00 179.25 178.87 3gbu h ASN 273 N 0.70 0.72 0.22 0.00 -0.00 -1.22 0.57 115.58 116.56 3gbu h ASN 273 Ca 0.11 -0.17 -0.01 0.00 -0.00 0.00 0.00 56.30 56.23 3gbu h ASN 273 Cb 0.63 -0.19 0.00 0.00 -0.00 0.00 0.00 38.32 38.77 3gbu h ASN 273 CO 0.04 0.79 -0.10 0.25 -0.00 0.00 0.00 177.43 178.41 3gbu h LEU 274 N 0.70 -0.25 -0.83 0.34 5.85 -0.97 -1.03 115.31 119.13 3gbu h LEU 274 Ca 0.14 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 3gbu h LEU 274 Cb 0.45 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 3gbu h LEU 274 CO 0.02 0.10 0.48 0.58 -0.34 0.00 0.00 178.44 179.28 3gbu h VAL 275 N -0.61 1.24 -0.39 1.05 2.07 -1.23 -1.34 116.25 117.04 3gbu h VAL 275 Ca -0.03 -0.54 -0.07 0.00 0.82 0.00 0.00 66.70 66.88 3gbu h VAL 275 Cb 0.44 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 3gbu h VAL 275 CO 0.05 0.25 -0.05 0.00 0.02 0.00 0.00 177.57 177.84 3gbu h ALA 276 N 1.26 1.19 -0.01 1.67 0.00 -0.86 -1.47 119.26 121.03 3gbu h ALA 276 Ca 0.30 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3gbu h ALA 276 Cb -0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3gbu h ALA 276 CO -0.05 0.53 -0.02 0.00 0.00 0.00 0.00 179.25 179.70 3gbu h ALA 277 N 1.35 0.02 0.00 0.00 0.00 -0.67 -2.97 119.26 116.99 3gbu h ALA 277 Ca 0.12 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3gbu h ALA 277 Cb 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3gbu h ALA 277 CO 0.02 -0.19 0.00 1.28 0.00 0.00 0.00 179.25 180.36 3gbu n LEU 278 N -4.80 0.00 -0.44 0.00 4.77 -0.55 -1.79 117.00 114.19 3gbu n LEU 278 Ca -0.08 0.49 0.06 0.00 -0.03 0.00 0.00 56.01 56.44 3gbu n LEU 278 Cb 0.28 -0.49 0.21 0.00 -2.33 0.00 0.00 43.42 41.10 3gbu n LEU 278 CO 0.34 -0.25 0.66 -1.20 -1.33 0.00 0.00 177.39 175.61 3gbu n SER 279 N -1.49 1.29 -0.01 -1.43 7.64 -0.56 -2.67 113.62 116.39 3gbu n SER 279 Ca 0.04 -1.88 0.07 0.00 1.01 0.00 0.00 58.87 58.11 3gbu n SER 279 Cb 0.16 -0.14 -0.11 0.00 -1.01 0.00 0.00 64.21 63.11 3gbu n SER 279 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3gbu n THR 280 N 0.16 0.00 0.01 0.44 -1.04 -0.74 -4.32 114.28 108.79 3gbu n THR 280 Ca 0.11 -0.31 -0.12 0.00 -2.04 0.00 0.00 64.05 61.69 3gbu n THR 280 Cb 0.22 0.32 -0.09 0.00 -1.82 0.00 0.00 70.33 68.96 3gbu n THR 280 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 3gbu h GLN 281 N 0.00 -0.09 -7.36 -2.82 1.08 -1.63 0.53 115.11 104.82 3gbu h GLN 281 Ca 0.00 0.01 -0.50 0.00 -1.45 0.00 0.00 58.65 56.70 3gbu h GLN 281 Cb 0.62 0.02 0.10 0.00 -0.05 0.00 0.00 27.48 28.17 3gbu h GLN 281 CO 0.00 0.46 0.35 0.15 -0.95 0.00 0.00 178.83 178.84 3gbu s LYS 282 N -3.57 2.60 0.34 1.46 1.02 -1.24 -4.62 119.74 115.73 3gbu s LYS 282 Ca -0.15 0.86 0.09 0.00 0.02 0.00 0.00 55.97 56.79 3gbu s LYS 282 Cb 0.00 -1.96 -0.06 0.00 -0.52 0.00 0.00 37.83 35.30 3gbu s LYS 282 CO 0.59 -1.31 -0.03 -0.98 -0.92 0.00 0.00 175.35 172.70 3gbu s ARG 283 N -5.07 1.99 0.00 1.68 1.70 -1.26 -4.32 118.95 113.67 3gbu s ARG 283 Ca 0.59 -1.81 0.00 0.00 -0.47 0.00 0.00 55.73 54.04 3gbu s ARG 283 Cb -0.14 -1.85 0.00 0.00 -0.57 0.00 0.00 34.95 32.38 3gbu s ARG 283 CO 0.55 0.14 0.00 0.41 -1.08 0.00 0.00 175.30 175.32 3gbu n GLY 284 N -0.90 1.07 0.35 3.88 0.00 -1.26 -4.46 105.19 103.87 3gbu n GLY 284 Ca -0.04 -1.86 -0.00 0.00 0.00 0.00 0.00 46.02 44.11 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 1.41 -1.53 4.61 0.00 -1.93 -3.14 119.26 118.68 3gbu h ALA 285 Ca 0.00 -0.07 -0.76 0.00 0.00 0.00 0.00 54.91 54.08 3gbu h ALA 285 Cb 0.00 -0.31 -0.19 0.00 0.00 0.00 0.00 17.79 17.29 3gbu h ALA 285 CO 0.00 0.53 1.43 0.91 0.00 0.00 0.00 179.25 182.12 3gbu n TRP 286 N -4.40 3.98 0.21 0.00 8.01 -1.26 -3.79 117.44 120.18 3gbu n TRP 286 Ca 0.08 -3.13 0.11 0.00 -1.31 0.00 0.00 57.50 53.25 3gbu n TRP 286 Cb 0.05 -1.94 0.20 0.00 -2.01 0.00 0.00 31.31 27.61 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 4.17 3.34 -4.69 -0.99 3.41 -1.19 -4.88 113.62 112.79 3gbu n SER 287 Ca 0.35 -1.95 -0.42 0.00 -0.26 0.00 0.00 58.87 56.59 3gbu n SER 287 Cb 0.39 -0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.35 3.03 0.67 6.66 2.01 -1.26 -4.41 115.64 121.00 3gbu s THR 288 Ca 0.36 0.51 -0.16 0.00 0.31 0.00 0.00 61.69 62.71 3gbu s THR 288 Cb 0.21 -3.33 0.01 0.00 0.01 0.00 0.00 72.50 69.40 3gbu s THR 288 CO 0.29 0.00 1.18 -2.16 -0.69 0.00 0.00 174.62 173.24 3gbu s PRO 289 N 2.48 2.54 0.71 4.92 0.04 -1.26 -4.98 135.00 139.45 3gbu s PRO 289 Ca 0.73 1.67 -0.11 0.00 0.04 0.00 0.00 61.00 63.33 3gbu s PRO 289 Cb -0.40 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.27 3gbu s PRO 289 CO 0.32 -1.51 1.07 1.03 0.04 0.00 0.00 177.00 177.95 3gbu s ARG 290 N -3.81 2.81 0.18 4.56 0.52 -1.26 -4.61 118.95 117.34 3gbu s ARG 290 Ca 0.73 0.90 -0.13 0.00 -0.52 0.00 0.00 55.73 56.70 3gbu s ARG 290 Cb -0.27 -1.98 0.09 0.00 0.52 0.00 0.00 34.95 33.32 3gbu s ARG 290 CO 0.41 -1.17 1.84 -0.22 0.02 0.00 0.00 175.30 176.18 3gbu h LYS 291 N -0.77 0.72 -0.95 3.54 3.64 -1.58 -2.82 116.57 118.35 3gbu h LYS 291 Ca -0.44 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 58.96 3gbu h LYS 291 Cb 1.22 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 32.82 3gbu h LYS 291 CO 0.57 0.48 0.62 0.38 -2.27 0.00 0.00 179.45 179.22 3gbu h ASP 292 N 0.74 0.97 -0.08 4.20 3.04 -1.93 -1.06 116.42 122.30 3gbu h ASP 292 Ca 0.21 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 54.01 3gbu h ASP 292 Cb -0.05 -0.20 0.00 0.00 -1.04 0.00 0.00 39.33 38.03 3gbu h ASP 292 CO -0.06 0.63 0.00 -1.84 -2.04 0.00 0.00 179.24 175.92 3gbu n GLU 293 N -4.49 1.21 -0.02 4.15 0.28 -1.07 -3.42 120.64 117.29 3gbu n GLU 293 Ca 0.14 -0.32 -0.00 0.00 -0.16 0.00 0.00 57.16 56.82 3gbu n GLU 293 Cb 0.18 -1.14 -0.04 0.00 1.43 0.00 0.00 31.44 31.87 3gbu n GLU 293 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3gbu n LEU 294 N -0.30 0.00 0.25 -1.84 4.77 -0.45 -4.67 117.00 114.76 3gbu n LEU 294 Ca 0.06 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.17 3gbu n LEU 294 Cb 0.09 0.07 0.69 0.00 -2.33 0.00 0.00 43.42 41.95 3gbu n LEU 294 CO 0.05 0.07 0.98 -0.07 -1.33 0.00 0.00 177.39 177.09 3gbu h LEU 295 N 0.00 0.00 -1.96 2.23 3.38 -1.43 -1.33 115.31 116.20 3gbu h LEU 295 Ca -0.08 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 3gbu h LEU 295 Cb 0.87 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 3gbu h LEU 295 CO 0.00 0.00 0.06 2.29 0.09 0.00 0.00 178.44 180.89 3gbu n LYS 296 N -2.54 1.63 -3.87 1.13 2.85 -1.26 -4.63 118.16 111.47 3gbu n LYS 296 Ca -0.02 -0.70 -0.20 0.00 -1.05 0.00 0.00 58.31 56.34 3gbu n LYS 296 Cb 0.26 -1.50 -0.17 0.00 -0.65 0.00 0.00 35.03 32.97 3gbu n LYS 296 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3gbu s TYR 297 N -1.12 0.49 0.20 5.58 2.02 -0.50 -5.04 117.35 118.97 3gbu s TYR 297 Ca 0.13 -0.07 -0.10 0.00 -0.37 0.00 0.00 57.07 56.66 3gbu s TYR 297 Cb 0.10 -0.62 0.13 0.00 -0.40 0.00 0.00 41.96 41.18 3gbu s TYR 297 CO 0.03 -0.23 1.81 1.57 -1.57 0.00 0.00 175.55 177.17 3gbu h LYS 298 N 7.83 1.00 -0.96 -0.62 2.10 -1.86 0.61 116.57 124.67 3gbu h LYS 298 Ca -0.29 -0.12 0.26 0.00 -2.00 0.00 0.00 60.65 58.50 3gbu h LYS 298 Cb 1.13 -0.19 -0.06 0.00 -0.90 0.00 0.00 32.23 32.21 3gbu h LYS 298 CO 0.34 0.75 0.66 0.93 -2.00 0.00 0.00 179.45 180.14 3gbu h GLU 299 N 0.99 0.17 0.05 0.07 3.07 -1.96 0.39 114.58 117.36 3gbu h GLU 299 Ca 0.25 -0.01 -0.30 0.00 -0.50 0.00 0.00 59.36 58.80 3gbu h GLU 299 Cb 0.05 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 27.88 3gbu h GLU 299 CO -0.04 0.11 -1.66 0.00 -1.40 0.00 0.00 179.01 176.02 3gbu h ALA 300 N 1.56 0.57 -0.64 3.43 0.00 -1.56 -3.34 119.26 119.28 3gbu h ALA 300 Ca 0.48 -1.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.01 3gbu h ALA 300 Cb 1.60 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 19.80 3gbu h ALA 300 CO -0.10 1.42 0.21 0.00 0.00 0.00 0.00 179.25 180.77 3gbu h ARG 301 N 0.03 0.98 -0.39 0.00 3.08 0.19 0.35 114.38 118.62 3gbu h ARG 301 Ca -0.28 -0.21 0.03 0.00 0.07 0.00 0.00 59.98 59.60 3gbu h ARG 301 Cb 2.00 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 31.87 3gbu h ARG 301 CO 0.10 0.86 0.19 0.93 -1.07 0.00 0.00 179.97 180.98 3gbu h GLU 302 N 0.91 0.38 -0.03 0.04 5.08 -0.90 -3.15 114.58 116.91 3gbu h GLU 302 Ca 0.21 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.44 3gbu h GLU 302 Cb 0.28 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.45 3gbu h GLU 302 CO -0.01 0.25 -0.38 0.28 -1.00 0.00 0.00 179.01 178.15 3gbu h VAL 303 N 0.39 1.46 -0.01 3.13 2.07 -1.63 -3.48 116.25 118.18 3gbu h VAL 303 Ca 0.17 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.79 3gbu h VAL 303 Cb 0.08 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 3gbu h VAL 303 CO -0.12 0.54 0.00 0.18 0.02 0.00 0.00 177.57 178.19