#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 1.84 -0.04 -0.08 1.01 -1.05 0.16 121.20 123.04 3gbu s ILE 4 Ca 0.00 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 59.81 3gbu s ILE 4 Cb 0.00 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.85 3gbu s ILE 4 CO 0.00 0.51 -0.19 0.00 0.00 0.00 0.00 174.94 175.26 3gbu s ALA 5 N 0.47 1.64 0.05 9.38 0.00 -0.73 -1.50 121.76 131.09 3gbu s ALA 5 Ca -0.17 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.10 3gbu s ALA 5 Cb -0.17 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 3gbu s ALA 5 CO 0.07 0.31 -0.14 -1.12 0.00 0.00 0.00 175.76 174.88 3gbu s SER 6 N -0.04 4.10 -0.04 0.00 0.01 -0.18 -0.44 113.70 117.12 3gbu s SER 6 Ca -0.03 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 56.86 3gbu s SER 6 Cb -0.12 -0.75 0.02 0.00 0.21 0.00 0.00 66.02 65.39 3gbu s SER 6 CO 0.02 0.24 -0.02 -0.51 0.41 0.00 0.00 173.24 173.38 3gbu s ILE 7 N -1.02 0.33 -5.00 1.44 2.07 -0.08 -0.02 121.20 118.92 3gbu s ILE 7 Ca 0.17 0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.43 3gbu s ILE 7 Cb -0.11 -0.41 0.00 0.00 0.13 0.00 0.00 42.46 42.07 3gbu s ILE 7 CO 0.08 0.19 0.00 0.61 -1.91 0.00 0.00 174.94 173.91 3gbu n GLY 8 N 4.25 -0.39 3.76 1.50 0.00 -0.81 -4.29 105.19 109.21 3gbu n GLY 8 Ca -0.23 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.00 4.32 -0.05 1.61 1.03 -1.26 -4.53 118.70 117.82 3gbu s GLU 9 Ca 0.00 2.26 -0.02 0.00 0.03 0.00 0.00 54.97 57.24 3gbu s GLU 9 Cb 0.00 -3.07 0.03 0.00 -0.80 0.00 0.00 34.13 30.28 3gbu s GLU 9 CO 0.00 -0.27 0.05 -1.17 -1.33 0.00 0.00 175.26 172.54 3gbu s LEU 10 N -1.46 0.25 0.35 1.83 2.96 -1.26 -3.99 118.68 117.35 3gbu s LEU 10 Ca 0.52 0.04 -0.08 0.00 -0.22 0.00 0.00 54.13 54.39 3gbu s LEU 10 Cb -0.41 -0.21 0.02 0.00 0.50 0.00 0.00 46.19 46.09 3gbu s LEU 10 CO 0.51 -0.24 0.58 -1.48 -1.32 0.00 0.00 176.35 174.41 3gbu s LEU 11 N 2.12 0.63 -0.26 -0.68 0.05 -0.67 -4.36 118.68 115.51 3gbu s LEU 11 Ca 0.05 -1.33 -0.13 0.00 0.05 0.00 0.00 54.13 52.77 3gbu s LEU 11 Cb -0.12 1.95 -0.04 0.00 -2.05 0.00 0.00 46.19 45.92 3gbu s LEU 11 CO -0.04 -1.42 0.29 -0.63 -0.55 0.00 0.00 176.35 174.01 3gbu s ILE 12 N -2.89 5.25 -0.18 1.48 -1.09 0.51 -0.36 121.20 123.92 3gbu s ILE 12 Ca 0.25 0.42 -0.16 0.00 -2.23 0.00 0.00 60.65 58.92 3gbu s ILE 12 Cb -0.02 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.20 3gbu s ILE 12 CO 0.17 0.23 0.41 -1.81 -1.23 0.00 0.00 174.94 172.71 3gbu s ASP 13 N 1.47 6.49 -0.45 3.58 1.01 0.24 -1.73 116.67 127.29 3gbu s ASP 13 Ca 0.12 0.58 -0.09 0.00 0.71 0.00 0.00 52.55 53.87 3gbu s ASP 13 Cb -0.15 -2.24 0.11 0.00 1.01 0.00 0.00 42.92 41.64 3gbu s ASP 13 CO 0.09 -0.05 0.32 -0.76 0.21 0.00 0.00 175.17 174.97 3gbu s LEU 14 N 1.13 5.51 -0.21 1.23 1.43 0.11 -1.29 118.68 126.60 3gbu s LEU 14 Ca 0.20 -1.78 -0.15 0.00 -1.03 0.00 0.00 54.13 51.38 3gbu s LEU 14 Cb -0.15 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 3gbu s LEU 14 CO 0.08 -0.64 0.37 -0.63 0.23 0.00 0.00 176.35 175.76 3gbu s ILE 15 N 1.38 5.22 0.11 -0.59 1.01 0.35 -1.02 121.20 127.66 3gbu s ILE 15 Ca 0.05 0.64 -0.33 0.00 0.00 0.00 0.00 60.65 61.01 3gbu s ILE 15 Cb -0.25 -3.70 -0.12 0.00 0.01 0.00 0.00 42.46 38.40 3gbu s ILE 15 CO 0.00 0.26 1.72 -1.20 0.00 0.00 0.00 174.94 175.72 3gbu n SER 16 N 4.45 3.52 -0.03 3.58 7.64 -0.43 -0.75 113.62 131.60 3gbu n SER 16 Ca -0.09 1.04 0.14 0.00 1.01 0.00 0.00 58.87 60.96 3gbu n SER 16 Cb 0.51 -1.47 0.61 0.00 -1.01 0.00 0.00 64.21 62.86 3gbu n SER 16 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 3gbu n VAL 17 N 4.13 0.00 -4.10 0.44 0.24 -0.29 -4.86 118.33 113.88 3gbu n VAL 17 Ca 0.18 -0.02 -0.08 0.00 -2.04 0.00 0.00 64.34 62.39 3gbu n VAL 17 Cb 0.32 -0.30 -0.10 0.00 -1.47 0.00 0.00 33.84 32.28 3gbu n VAL 17 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 3gbu s GLU 18 N -2.75 0.71 0.75 7.34 -1.05 -1.26 -5.07 118.70 117.37 3gbu s GLU 18 Ca 0.21 -1.28 -0.11 0.00 -0.15 0.00 0.00 54.97 53.64 3gbu s GLU 18 Cb 0.19 0.22 0.04 0.00 -0.44 0.00 0.00 34.13 34.15 3gbu s GLU 18 CO 0.52 -0.16 1.09 -1.21 0.95 0.00 0.00 175.26 176.45 3gbu s GLU 19 N -3.96 2.40 0.00 -4.83 8.01 -1.26 -4.94 118.70 114.12 3gbu s GLU 19 Ca 0.12 1.16 0.00 0.00 0.01 0.00 0.00 54.97 56.26 3gbu s GLU 19 Cb 0.08 -1.92 0.00 0.00 -4.31 0.00 0.00 34.13 27.98 3gbu s GLU 19 CO -0.07 -1.53 0.00 0.41 0.01 0.00 0.00 175.26 174.09 3gbu n GLY 20 N -1.25 2.95 3.76 -1.39 0.00 -1.26 -4.82 105.19 103.17 3gbu n GLY 20 Ca 0.09 -1.98 -0.38 0.00 0.00 0.00 0.00 46.02 43.75 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 5.58 0.53 1.61 -0.00 -1.26 -4.78 116.67 118.35 3gbu s ASP 21 Ca 0.00 2.55 0.27 0.00 -0.00 0.00 0.00 52.55 55.37 3gbu s ASP 21 Cb 0.00 -2.62 1.42 0.00 -0.00 0.00 0.00 42.92 41.72 3gbu s ASP 21 CO 0.00 -1.34 1.97 -0.07 -0.00 0.00 0.00 175.17 175.73 3gbu h LEU 22 N 1.60 0.00 -1.20 1.23 3.38 -1.96 -0.30 115.31 118.07 3gbu h LEU 22 Ca -0.50 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.54 3gbu h LEU 22 Cb 1.28 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.97 3gbu h LEU 22 CO 0.58 0.00 0.57 0.50 0.09 0.00 0.00 178.44 180.18 3gbu h LYS 23 N 0.00 0.92 0.00 1.13 3.64 -2.03 -3.11 116.57 117.12 3gbu h LYS 23 Ca 0.30 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3gbu h LYS 23 Cb 1.20 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 3gbu h LYS 23 CO -0.00 0.61 -1.51 -0.25 -2.27 0.00 0.00 179.45 176.03 3gbu n ASP 24 N -4.50 0.55 -4.68 4.20 8.00 -0.18 -4.96 116.55 114.98 3gbu n ASP 24 Ca 0.13 -0.43 -0.45 0.00 0.71 0.00 0.00 54.79 54.76 3gbu n ASP 24 Cb 0.23 1.53 -0.03 0.00 -0.02 0.00 0.00 41.12 42.83 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 -1.89 0.56 -0.10 2.53 0.31 -0.84 -4.91 118.33 114.00 3gbu n VAL 25 Ca -0.00 -0.14 -0.11 0.00 -0.01 0.00 0.00 64.34 64.07 3gbu n VAL 25 Cb 0.44 -1.60 -0.14 0.00 -0.91 0.00 0.00 33.84 31.63 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 2.67 0.85 -5.19 5.55 1.74 -1.26 -4.99 116.66 116.04 3gbu n ARG 26 Ca 0.13 0.03 -0.32 0.00 -0.77 0.00 0.00 57.85 56.93 3gbu n ARG 26 Cb 0.31 -1.48 -0.16 0.00 -1.02 0.00 0.00 32.46 30.12 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 -5.67 2.22 -0.04 0.55 1.43 -1.26 -5.08 118.68 110.83 3gbu s LEU 27 Ca -0.16 -0.42 0.04 0.00 -1.03 0.00 0.00 54.13 52.56 3gbu s LEU 27 Cb 0.06 -1.41 -0.00 0.00 0.03 0.00 0.00 46.19 44.87 3gbu s LEU 27 CO 0.70 0.29 -0.17 -0.36 0.23 0.00 0.00 176.35 177.04 3gbu s PHE 28 N -0.42 1.71 -0.17 0.29 0.08 -1.26 -1.14 117.98 117.06 3gbu s PHE 28 Ca 0.04 -0.48 -0.05 0.00 0.12 0.00 0.00 56.93 56.56 3gbu s PHE 28 Cb -0.12 -1.15 -0.03 0.00 -0.57 0.00 0.00 43.02 41.15 3gbu s PHE 28 CO 0.01 -0.16 0.01 -2.00 -0.10 0.00 0.00 175.22 172.98 3gbu s GLU 29 N 0.01 3.79 -0.07 0.44 2.12 0.07 -4.84 118.70 120.22 3gbu s GLU 29 Ca -0.03 -0.45 -0.14 0.00 0.36 0.00 0.00 54.97 54.71 3gbu s GLU 29 Cb -0.11 -3.06 -0.05 0.00 0.26 0.00 0.00 34.13 31.17 3gbu s GLU 29 CO 0.02 0.23 0.36 -1.59 -0.54 0.00 0.00 175.26 173.74 3gbu s LYS 30 N 0.45 3.99 0.07 4.30 -2.85 -1.26 -0.50 119.74 123.95 3gbu s LYS 30 Ca -0.01 0.28 -0.07 0.00 -1.00 0.00 0.00 55.97 55.17 3gbu s LYS 30 Cb -0.13 -3.29 -0.01 0.00 -2.06 0.00 0.00 37.83 32.33 3gbu s LYS 30 CO 0.02 0.53 0.15 -1.01 0.10 0.00 0.00 175.35 175.13 3gbu s HIS 31 N -0.49 0.21 0.33 1.78 3.76 -0.41 -4.99 115.29 115.48 3gbu s HIS 31 Ca 0.21 -0.63 -0.28 0.00 -0.15 0.00 0.00 55.06 54.21 3gbu s HIS 31 Cb -0.15 -0.12 -0.09 0.00 1.11 0.00 0.00 32.58 33.33 3gbu s HIS 31 CO 0.10 -0.49 1.17 -2.14 -0.85 0.00 0.00 174.74 172.52 3gbu s PRO 32 N -3.68 4.39 0.34 8.40 0.02 -1.26 -0.59 135.00 142.62 3gbu s PRO 32 Ca 0.04 1.90 0.02 0.00 0.02 0.00 0.00 61.00 62.98 3gbu s PRO 32 Cb 0.04 -2.99 -0.01 0.00 0.02 0.00 0.00 34.50 31.57 3gbu s PRO 32 CO -0.10 -0.05 0.39 0.41 -0.33 0.00 0.00 177.00 177.33 3gbu n GLY 33 N 0.90 2.48 0.00 0.52 0.00 0.52 -4.72 105.19 104.88 3gbu n GLY 33 Ca 0.01 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.59 1.76 0.38 -0.02 0.00 -1.26 -1.67 105.19 103.79 3gbu n GLY 34 Ca 0.04 -1.01 -0.05 0.00 0.00 0.00 0.00 46.02 45.00 3gbu n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gbu n ALA 35 N 1.61 -0.34 -0.36 4.61 0.00 -1.26 -0.42 120.51 124.35 3gbu n ALA 35 Ca 0.00 0.90 0.07 0.00 0.00 0.00 0.00 53.44 54.41 3gbu n ALA 35 Cb 0.00 -0.30 0.24 0.00 0.00 0.00 0.00 19.45 19.39 3gbu n ALA 35 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3gbu h PRO 36 N 0.00 0.96 -0.20 0.00 0.11 -1.91 0.61 132.00 131.57 3gbu h PRO 36 Ca 0.25 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.24 3gbu h PRO 36 Cb 0.50 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.38 3gbu h PRO 36 CO -0.93 0.64 -0.14 0.00 -0.21 0.00 0.00 178.00 177.36 3gbu h ALA 37 N 1.54 0.29 -0.89 -0.75 0.00 -0.87 -1.43 119.26 117.16 3gbu h ALA 37 Ca 0.50 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 55.11 3gbu h ALA 37 Cb 0.49 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 3gbu h ALA 37 CO -0.26 0.16 0.58 -0.91 0.00 0.00 0.00 179.25 178.82 3gbu h ASN 38 N 0.13 0.98 -0.39 0.00 2.35 0.29 -1.74 115.58 117.20 3gbu h ASN 38 Ca 0.04 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 3gbu h ASN 38 Cb 0.65 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 3gbu h ASN 38 CO 0.04 0.69 0.04 0.58 -1.65 0.00 0.00 177.43 177.13 3gbu h VAL 39 N 1.15 1.25 -0.94 2.81 2.07 -0.84 -1.98 116.25 119.77 3gbu h VAL 39 Ca 0.34 -0.91 0.06 0.00 0.82 0.00 0.00 66.70 67.01 3gbu h VAL 39 Cb -0.06 1.08 -0.07 0.00 -1.52 0.00 0.00 31.29 30.73 3gbu h VAL 39 CO -0.10 0.31 0.60 0.00 0.02 0.00 0.00 177.57 178.40 3gbu h ALA 40 N 0.91 1.30 -0.29 1.67 0.00 -0.74 0.72 119.26 122.83 3gbu h ALA 40 Ca 0.12 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3gbu h ALA 40 Cb 0.40 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3gbu h ALA 40 CO 0.01 0.37 -0.09 0.28 0.00 0.00 0.00 179.25 179.82 3gbu h VAL 41 N 1.08 1.29 -0.71 0.00 2.07 -1.18 -1.96 116.25 116.84 3gbu h VAL 41 Ca 0.41 -1.14 0.04 0.00 0.82 0.00 0.00 66.70 66.83 3gbu h VAL 41 Cb 0.18 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 3gbu h VAL 41 CO -0.18 0.36 0.43 1.23 0.02 0.00 0.00 177.57 179.44 3gbu h GLY 42 N 0.33 1.03 1.00 2.17 0.00 -0.56 0.22 103.07 107.26 3gbu h GLY 42 Ca 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3gbu h GLY 42 CO 0.03 0.25 0.16 -2.08 0.00 0.00 0.00 176.54 174.90 3gbu h VAL 43 N 0.82 1.06 -0.83 4.60 2.07 -0.78 -1.43 116.25 121.77 3gbu h VAL 43 Ca 0.29 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.68 3gbu h VAL 43 Cb 0.08 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 3gbu h VAL 43 CO -0.13 0.06 0.42 -1.28 0.02 0.00 0.00 177.57 176.66 3gbu h SER 44 N 0.33 1.06 -0.06 0.57 0.87 -0.83 -2.14 113.55 113.36 3gbu h SER 44 Ca 0.09 -0.11 -0.07 0.00 -1.23 0.00 0.00 61.79 60.47 3gbu h SER 44 Cb -0.04 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.64 3gbu h SER 44 CO -0.02 0.88 -0.17 0.03 -0.53 0.00 0.00 176.83 177.02 3gbu h ARG 45 N 1.17 0.41 0.00 2.24 3.08 -0.62 -1.52 114.38 119.15 3gbu h ARG 45 Ca 0.29 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3gbu h ARG 45 Cb 0.08 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3gbu h ARG 45 CO -0.04 0.57 0.00 1.28 -1.07 0.00 0.00 179.97 180.71 3gbu n LEU 46 N -4.19 0.00 0.00 3.04 4.77 -0.57 -1.13 117.00 118.92 3gbu n LEU 46 Ca -0.00 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3gbu n LEU 46 Cb 0.33 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3gbu n LEU 46 CO 0.40 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 3gbu n GLY 47 N 0.55 0.97 3.61 -0.72 0.00 -0.57 -4.65 105.19 104.38 3gbu n GLY 47 Ca 0.16 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 -2.00 4.06 0.05 1.61 1.01 -0.85 -5.01 120.40 119.27 3gbu s VAL 48 Ca 0.00 -0.33 -0.33 0.00 0.00 0.00 0.00 61.98 61.32 3gbu s VAL 48 Cb 0.00 -2.71 -0.12 0.00 0.00 0.00 0.00 36.38 33.55 3gbu s VAL 48 CO 0.00 0.58 1.80 0.29 0.00 0.00 0.00 175.10 177.77 3gbu n LYS 49 N 2.48 2.42 -4.73 2.72 5.02 -1.26 -3.40 118.16 121.41 3gbu n LYS 49 Ca -0.18 0.88 -0.24 0.00 -2.02 0.00 0.00 58.31 56.75 3gbu n LYS 49 Cb 0.53 -2.73 -0.15 0.00 -0.02 0.00 0.00 35.03 32.65 3gbu n LYS 49 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3gbu s SER 50 N 2.93 1.86 0.11 4.39 0.15 -1.26 -1.86 113.70 120.02 3gbu s SER 50 Ca 0.86 -0.29 0.07 0.00 0.70 0.00 0.00 55.95 57.29 3gbu s SER 50 Cb -0.60 -0.31 -0.04 0.00 -1.71 0.00 0.00 66.02 63.36 3gbu s SER 50 CO 0.43 0.17 -0.18 -0.94 1.20 0.00 0.00 173.24 173.92 3gbu s SER 51 N -0.22 2.33 -0.07 5.45 1.04 -0.56 -0.09 113.70 121.58 3gbu s SER 51 Ca 0.03 -0.73 0.03 0.00 0.48 0.00 0.00 55.95 55.76 3gbu s SER 51 Cb -0.08 -0.12 0.01 0.00 0.10 0.00 0.00 66.02 65.94 3gbu s SER 51 CO 0.00 -0.02 -0.15 -0.22 0.98 0.00 0.00 173.24 173.83 3gbu s LEU 52 N -2.13 1.77 -0.24 2.42 2.96 -1.01 -1.01 118.68 121.45 3gbu s LEU 52 Ca 0.07 -0.35 -0.07 0.00 -0.22 0.00 0.00 54.13 53.57 3gbu s LEU 52 Cb -0.08 -0.95 -0.03 0.00 0.50 0.00 0.00 46.19 45.63 3gbu s LEU 52 CO 0.04 0.08 0.05 -0.63 -1.32 0.00 0.00 176.35 174.57 3gbu s ILE 53 N 0.49 4.17 0.00 6.68 -1.09 0.96 -3.90 121.20 128.52 3gbu s ILE 53 Ca -0.13 -0.22 0.00 0.00 -2.23 0.00 0.00 60.65 58.06 3gbu s ILE 53 Cb -0.15 -2.93 0.00 0.00 -1.58 0.00 0.00 42.46 37.79 3gbu s ILE 53 CO 0.04 0.37 0.00 -0.24 -1.23 0.00 0.00 174.94 173.88 3gbu n SER 54 N 4.75 0.00 -3.70 3.58 2.88 -1.13 -1.93 113.62 118.07 3gbu n SER 54 Ca -0.17 -0.84 -0.11 0.00 -1.33 0.00 0.00 58.87 56.43 3gbu n SER 54 Cb 0.51 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.86 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 -1.52 0.36 0.43 -1.46 2.20 -1.26 -1.58 119.74 116.90 3gbu s LYS 55 Ca 0.00 0.74 0.04 0.00 -0.36 0.00 0.00 55.97 56.38 3gbu s LYS 55 Cb 0.00 -0.04 -0.04 0.00 -1.51 0.00 0.00 37.83 36.24 3gbu s LYS 55 CO 0.00 -0.16 0.04 0.14 -0.36 0.00 0.00 175.35 175.01 3gbu s VAL 56 N 1.37 1.25 0.52 4.02 -7.23 -0.16 -2.06 120.40 118.11 3gbu s VAL 56 Ca -0.09 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.03 3gbu s VAL 56 Cb -0.09 -2.52 -0.01 0.00 0.56 0.00 0.00 36.38 34.32 3gbu s VAL 56 CO -0.12 0.00 0.81 -0.83 -0.31 0.00 0.00 175.10 174.65 3gbu s GLY 57 N -3.71 1.55 -1.31 2.32 0.00 -1.26 0.29 107.32 105.21 3gbu s GLY 57 Ca 0.22 -0.70 -0.14 0.00 0.00 0.00 0.00 44.72 44.10 3gbu s GLY 57 CO 0.11 -0.49 1.78 -2.01 0.00 0.00 0.00 173.10 172.50 3gbu n ASN 58 N -2.35 4.82 -3.91 1.64 5.15 -0.87 -4.15 115.26 115.59 3gbu n ASN 58 Ca 0.02 -2.95 -0.09 0.00 -0.60 0.00 0.00 54.58 50.96 3gbu n ASN 58 Cb 0.57 -1.63 -0.04 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 3.04 -0.11 0.32 1.20 1.47 -1.26 -5.02 116.67 116.31 3gbu s ASP 59 Ca 0.47 -0.86 0.09 0.00 1.18 0.00 0.00 52.55 53.43 3gbu s ASP 59 Cb 0.05 0.64 0.84 0.00 -0.34 0.00 0.00 42.92 44.11 3gbu s ASP 59 CO 0.01 -1.22 1.76 -0.65 0.68 0.00 0.00 175.17 175.75 3gbu h PRO 60 N 2.17 0.63 -0.24 2.11 0.11 -2.00 -0.36 132.00 134.42 3gbu h PRO 60 Ca -0.24 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.68 3gbu h PRO 60 Cb 1.25 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3gbu h PRO 60 CO 0.32 0.42 -0.47 0.74 -0.21 0.00 0.00 178.00 178.80 3gbu h PHE 61 N 0.65 0.77 -0.64 0.65 0.04 -1.97 -1.27 116.94 115.17 3gbu h PHE 61 Ca 0.60 -0.25 -0.04 0.00 2.80 0.00 0.00 57.97 61.08 3gbu h PHE 61 Cb 1.09 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 39.06 3gbu h PHE 61 CO -0.00 0.98 0.23 0.78 -0.60 0.00 0.00 178.31 179.69 3gbu h GLY 62 N 1.00 1.05 0.95 -1.45 0.00 -1.26 -2.12 103.07 101.24 3gbu h GLY 62 Ca 0.03 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.72 3gbu h GLY 62 CO 0.09 0.56 0.12 0.83 0.00 0.00 0.00 176.54 178.15 3gbu h GLU 63 N 0.91 0.68 -0.42 4.80 5.08 -1.17 -2.48 114.58 121.98 3gbu h GLU 63 Ca 0.21 -0.16 0.07 0.00 -1.00 0.00 0.00 59.36 58.48 3gbu h GLU 63 Cb 0.26 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 3gbu h GLU 63 CO -0.01 0.68 0.07 -0.92 -1.00 0.00 0.00 179.01 177.82 3gbu h TYR 64 N 0.56 0.11 -0.15 4.33 3.20 -0.96 0.99 116.97 125.04 3gbu h TYR 64 Ca 0.14 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 3gbu h TYR 64 Cb 0.29 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 3gbu h TYR 64 CO 0.02 -0.01 0.08 -0.07 -1.64 0.00 0.00 178.16 176.54 3gbu h LEU 65 N 0.20 0.20 -0.89 2.82 3.38 -1.20 0.76 115.31 120.58 3gbu h LEU 65 Ca 0.21 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3gbu h LEU 65 Cb 0.26 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 3gbu h LEU 65 CO -0.28 0.25 0.57 0.40 0.09 0.00 0.00 178.44 179.47 3gbu h ILE 66 N 0.13 1.23 -0.38 1.22 2.04 -1.24 -0.37 117.51 120.14 3gbu h ILE 66 Ca 0.05 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 3gbu h ILE 66 Cb 0.10 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.10 3gbu h ILE 66 CO -0.01 0.23 0.20 -0.33 0.00 0.00 0.00 178.15 178.24 3gbu h GLU 67 N 1.21 0.54 -0.56 2.37 5.08 -0.35 -0.02 114.58 122.85 3gbu h GLU 67 Ca 0.32 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.51 3gbu h GLU 67 Cb -0.11 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 3gbu h GLU 67 CO -0.07 0.46 -0.05 0.93 -1.00 0.00 0.00 179.01 179.28 3gbu h GLU 68 N 0.48 1.02 -0.56 2.33 4.39 -0.38 -2.00 114.58 119.87 3gbu h GLU 68 Ca 0.13 -0.35 -0.07 0.00 0.34 0.00 0.00 59.36 59.42 3gbu h GLU 68 Cb 0.08 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 3gbu h GLU 68 CO -0.02 1.04 0.08 -0.07 -1.16 0.00 0.00 179.01 178.88 3gbu h LEU 69 N 0.90 0.84 -1.01 1.33 3.38 -0.92 -2.56 115.31 117.26 3gbu h LEU 69 Ca 0.15 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3gbu h LEU 69 Cb 0.61 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 3gbu h LEU 69 CO 0.04 0.86 0.32 -1.28 0.09 0.00 0.00 178.44 178.47 3gbu h SER 70 N 0.84 0.93 0.52 -0.43 0.87 -0.70 -1.20 113.55 114.38 3gbu h SER 70 Ca 0.17 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 3gbu h SER 70 Cb 0.38 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.10 3gbu h SER 70 CO 0.01 0.80 -0.06 0.11 -0.53 0.00 0.00 176.83 177.17 3gbu h LYS 71 N 1.02 0.00 -0.21 2.24 1.57 -0.96 -0.81 116.57 119.41 3gbu h LYS 71 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3gbu h LYS 71 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3gbu h LYS 71 CO -0.03 0.06 0.00 0.39 -0.57 0.00 0.00 179.45 179.30 3gbu n GLU 72 N -3.30 1.98 -1.40 3.15 -0.58 -0.53 -4.93 120.64 115.03 3gbu n GLU 72 Ca -0.01 -1.47 -0.12 0.00 -0.42 0.00 0.00 57.16 55.14 3gbu n GLU 72 Cb 0.23 -1.44 -0.05 0.00 -0.57 0.00 0.00 31.44 29.61 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 0.71 -4.38 -4.73 1.62 3.02 -0.31 -4.66 115.26 106.53 3gbu n ASN 73 Ca 0.17 0.27 -0.41 0.00 -0.03 0.00 0.00 54.58 54.58 3gbu n ASN 73 Cb 0.43 -2.96 -0.04 0.00 -0.61 0.00 0.00 39.78 36.59 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 -2.45 4.74 -0.09 2.41 1.01 -0.73 -4.66 120.40 120.63 3gbu s VAL 74 Ca 0.00 1.87 -0.29 0.00 0.00 0.00 0.00 61.98 63.55 3gbu s VAL 74 Cb 0.00 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 3gbu s VAL 74 CO 0.00 0.28 1.70 -0.62 0.00 0.00 0.00 175.10 176.45 3gbu s ASP 75 N 0.38 6.54 0.00 3.32 2.15 0.87 -4.39 116.67 125.55 3gbu s ASP 75 Ca 0.45 2.13 0.15 0.00 0.43 0.00 0.00 52.55 55.72 3gbu s ASP 75 Cb -0.21 -2.53 0.34 0.00 -0.30 0.00 0.00 42.92 40.22 3gbu s ASP 75 CO 0.26 -1.05 1.25 0.35 -0.17 0.00 0.00 175.17 175.82 3gbu n THR 76 N 5.77 0.70 -0.04 1.71 -2.24 -1.26 -2.40 114.28 116.51 3gbu n THR 76 Ca 0.18 -0.85 0.11 0.00 -2.27 0.00 0.00 64.05 61.22 3gbu n THR 76 Cb 0.43 0.75 0.51 0.00 -2.10 0.00 0.00 70.33 69.92 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 2.94 0.37 0.00 -0.78 3.08 -1.90 -0.82 114.38 117.28 3gbu h ARG 77 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3gbu h ARG 77 Cb 0.78 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.74 3gbu h ARG 77 CO 0.00 0.24 0.00 0.41 -1.07 0.00 0.00 179.97 179.55 3gbu n GLY 78 N -1.52 -0.87 3.47 0.04 0.00 -1.26 -4.67 105.19 100.38 3gbu n GLY 78 Ca 0.08 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 5.17 0.42 -0.61 1.01 -0.31 -2.83 121.20 122.05 3gbu s ILE 79 Ca 0.14 -0.57 -0.05 0.00 0.00 0.00 0.00 60.65 60.17 3gbu s ILE 79 Cb 0.06 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 3gbu s ILE 79 CO 0.11 -0.22 0.71 -0.69 0.00 0.00 0.00 174.94 174.85 3gbu s VAL 80 N 1.67 4.94 -0.13 2.92 1.01 -0.61 -4.91 120.40 125.29 3gbu s VAL 80 Ca 0.05 0.11 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 3gbu s VAL 80 Cb -0.19 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 3gbu s VAL 80 CO 0.10 -0.70 0.01 -0.54 0.00 0.00 0.00 175.10 173.97 3gbu s LYS 81 N -4.42 3.49 -0.14 2.72 1.02 -1.26 -0.99 119.74 120.16 3gbu s LYS 81 Ca 0.46 -0.42 -0.15 0.00 0.02 0.00 0.00 55.97 55.87 3gbu s LYS 81 Cb -0.10 -2.95 -0.04 0.00 -0.52 0.00 0.00 37.83 34.21 3gbu s LYS 81 CO 0.40 0.44 0.37 0.34 -0.92 0.00 0.00 175.35 175.97 3gbu s ASP 82 N -0.14 6.54 0.35 2.83 -1.08 0.14 -4.86 116.67 120.46 3gbu s ASP 82 Ca 0.05 0.63 0.23 0.00 -0.52 0.00 0.00 52.55 52.94 3gbu s ASP 82 Cb -0.13 -2.22 0.33 0.00 -1.46 0.00 0.00 42.92 39.44 3gbu s ASP 82 CO 0.02 0.07 1.50 -0.33 0.52 0.00 0.00 175.17 176.95 3gbu h GLU 83 N 6.65 0.00 0.00 4.34 4.39 -1.96 -2.30 114.58 125.70 3gbu h GLU 83 Ca -0.41 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.29 3gbu h GLU 83 Cb 1.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 3gbu h GLU 83 CO 0.75 0.00 -0.37 1.63 -1.16 0.00 0.00 179.01 179.87 3gbu n LYS 84 N -2.88 0.21 -2.50 2.33 4.76 -1.26 -4.91 118.16 113.92 3gbu n LYS 84 Ca 0.03 0.15 -0.39 0.00 -2.87 0.00 0.00 58.31 55.23 3gbu n LYS 84 Cb 0.52 -0.95 -0.04 0.00 -1.84 0.00 0.00 35.03 32.72 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 -1.73 4.53 0.56 1.97 -0.14 -1.26 -5.03 119.74 118.65 3gbu s LYS 85 Ca -0.11 1.72 -0.07 0.00 -1.36 0.00 0.00 55.97 56.16 3gbu s LYS 85 Cb 0.01 -3.04 -0.02 0.00 -1.68 0.00 0.00 37.83 33.11 3gbu s LYS 85 CO 0.16 0.14 0.89 -1.01 -0.76 0.00 0.00 175.35 174.77 3gbu s HIS 86 N -1.28 3.43 0.35 3.18 3.76 -1.26 -4.20 115.29 119.27 3gbu s HIS 86 Ca 0.47 0.84 -0.26 0.00 -0.15 0.00 0.00 55.06 55.97 3gbu s HIS 86 Cb -0.29 -2.60 -0.13 0.00 1.11 0.00 0.00 32.58 30.67 3gbu s HIS 86 CO 0.38 -0.63 0.94 2.41 -0.85 0.00 0.00 174.74 176.99 3gbu n THR 87 N -2.52 2.11 -1.80 1.30 -1.04 -1.26 -1.25 114.28 109.82 3gbu n THR 87 Ca 0.03 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.05 61.14 3gbu n THR 87 Cb 0.56 -0.98 0.01 0.00 -1.82 0.00 0.00 70.33 68.10 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 -0.68 2.93 0.02 3.41 0.00 -1.26 -4.73 107.32 107.01 3gbu s GLY 88 Ca 0.61 1.52 -0.01 0.00 0.00 0.00 0.00 44.72 46.84 3gbu s GLY 88 CO 0.59 2.17 -0.01 -0.26 0.00 0.00 0.00 173.10 175.59 3gbu s ILE 89 N -1.16 0.10 -0.13 0.90 -4.36 -1.26 -0.36 121.20 114.93 3gbu s ILE 89 Ca 0.57 -0.83 -0.08 0.00 -0.26 0.00 0.00 60.65 60.06 3gbu s ILE 89 Cb -0.45 -0.27 0.05 0.00 1.25 0.00 0.00 42.46 43.04 3gbu s ILE 89 CO 0.60 -0.45 0.32 0.54 0.24 0.00 0.00 174.94 176.18 3gbu s VAL 90 N -1.36 -0.03 -0.21 8.37 0.11 -0.70 -2.41 120.40 124.16 3gbu s VAL 90 Ca -0.15 0.11 -0.14 0.00 -2.93 0.00 0.00 61.98 58.87 3gbu s VAL 90 Cb -0.09 -0.47 -0.04 0.00 -1.53 0.00 0.00 36.38 34.24 3gbu s VAL 90 CO -0.01 0.04 0.33 -0.36 -3.33 0.00 0.00 175.10 171.77 3gbu s PHE 91 N 1.15 3.36 0.03 1.54 0.08 -0.21 -0.71 117.98 123.22 3gbu s PHE 91 Ca -0.08 0.50 0.04 0.00 0.12 0.00 0.00 56.93 57.52 3gbu s PHE 91 Cb -0.08 -2.44 -0.02 0.00 -0.57 0.00 0.00 43.02 39.90 3gbu s PHE 91 CO -0.09 0.02 -0.13 0.14 -0.10 0.00 0.00 175.22 175.07 3gbu s VAL 92 N 1.20 1.00 -0.35 -0.44 -7.23 -0.18 0.06 120.40 114.47 3gbu s VAL 92 Ca 0.16 -0.88 0.04 0.00 -1.81 0.00 0.00 61.98 59.48 3gbu s VAL 92 Cb -0.14 -0.90 0.10 0.00 0.56 0.00 0.00 36.38 35.99 3gbu s VAL 92 CO 0.07 0.03 0.07 -1.58 -0.31 0.00 0.00 175.10 173.37 3gbu s GLN 93 N -0.97 1.45 0.28 4.82 2.00 0.43 -1.31 119.66 126.35 3gbu s GLN 93 Ca 0.01 -1.86 0.17 0.00 -2.00 0.00 0.00 55.36 51.68 3gbu s GLN 93 Cb -0.07 -3.12 0.09 0.00 0.80 0.00 0.00 33.01 30.71 3gbu s GLN 93 CO 0.01 -0.95 1.38 -0.07 -0.50 0.00 0.00 175.29 175.15 3gbu h LEU 94 N 7.58 0.00-10.53 3.68 3.38 -1.89 -1.15 115.31 116.37 3gbu h LEU 94 Ca -0.05 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.45 3gbu h LEU 94 Cb 1.01 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.87 3gbu h LEU 94 CO 0.53 0.39 0.38 -0.54 0.09 0.00 0.00 178.44 179.28 3gbu s LYS 95 N -3.03 2.00 0.00 1.13 1.02 -1.26 -4.66 119.74 114.94 3gbu s LYS 95 Ca 0.03 0.30 0.00 0.00 0.02 0.00 0.00 55.97 56.33 3gbu s LYS 95 Cb 0.07 -1.94 0.00 0.00 -0.52 0.00 0.00 37.83 35.45 3gbu s LYS 95 CO 0.74 -1.61 0.00 0.41 -0.92 0.00 0.00 175.35 173.97 3gbu n GLY 96 N -2.83 -1.99 2.29 -3.33 0.00 -1.26 -4.31 105.19 93.76 3gbu n GLY 96 Ca 0.07 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.26 7.07 0.00 4.61 0.00 -1.26 -3.82 120.51 125.85 3gbu n ALA 97 Ca 0.00 -3.09 0.00 0.00 0.00 0.00 0.00 53.44 50.35 3gbu n ALA 97 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 19.45 16.28 3gbu n ALA 97 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3gbu n SER 98 N 3.46 0.00 -4.42 0.00 2.88 -1.26 -5.16 113.62 109.12 3gbu n SER 98 Ca 0.69 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.89 3gbu n SER 98 Cb 0.33 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 63.89 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 0.00 -0.09 -3.68 -1.46 -0.02 -1.25 -5.01 135.00 123.49 3gbu n PRO 99 Ca 0.00 0.02 -0.10 0.00 -2.02 0.00 0.00 63.50 61.40 3gbu n PRO 99 Cb 0.00 -1.84 -0.04 0.00 -0.02 0.00 0.00 33.50 31.61 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 -1.82 -0.28 0.22 2.55 1.04 -0.44 -5.03 113.70 109.94 3gbu s SER 100 Ca 0.59 -0.39 -0.19 0.00 0.48 0.00 0.00 55.95 56.44 3gbu s SER 100 Cb -0.25 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.44 3gbu s SER 100 CO 0.65 -0.98 0.60 0.72 0.98 0.00 0.00 173.24 175.20 3gbu s PHE 101 N -3.84 -0.18 -0.25 5.02 -0.12 -1.26 -0.43 117.98 116.92 3gbu s PHE 101 Ca 0.07 -0.18 -0.02 0.00 -0.05 0.00 0.00 56.93 56.75 3gbu s PHE 101 Cb -0.00 0.51 0.08 0.00 -0.63 0.00 0.00 43.02 42.98 3gbu s PHE 101 CO -0.07 -1.02 0.06 -1.17 -0.05 0.00 0.00 175.22 172.98 3gbu s LEU 102 N -2.88 1.74 -0.18 -1.99 2.96 0.11 -4.98 118.68 113.46 3gbu s LEU 102 Ca 0.09 -1.23 -0.08 0.00 -0.22 0.00 0.00 54.13 52.69 3gbu s LEU 102 Cb -0.03 -0.76 -0.04 0.00 0.50 0.00 0.00 46.19 45.86 3gbu s LEU 102 CO -0.00 -0.35 0.09 -0.22 -1.32 0.00 0.00 176.35 174.54 3gbu s LEU 103 N 1.72 4.00 -0.29 -0.68 0.20 -1.26 -1.04 118.68 121.32 3gbu s LEU 103 Ca 0.04 0.17 -0.19 0.00 0.69 0.00 0.00 54.13 54.84 3gbu s LEU 103 Cb -0.17 -2.01 -0.02 0.00 -0.43 0.00 0.00 46.19 43.56 3gbu s LEU 103 CO -0.17 0.21 0.55 -0.31 -0.29 0.00 0.00 176.35 176.34 3gbu s TYR 104 N 0.19 3.23 -0.19 5.38 1.51 -1.01 -4.97 117.35 121.49 3gbu s TYR 104 Ca 0.06 0.54 0.22 0.00 -1.01 0.00 0.00 57.07 56.88 3gbu s TYR 104 Cb -0.12 -2.84 -0.07 0.00 -0.11 0.00 0.00 41.96 38.83 3gbu s TYR 104 CO -0.00 -0.39 0.92 -0.40 -1.11 0.00 0.00 175.55 174.58 3gbu n ASP 105 N 5.68 0.73 -4.13 2.29 5.75 -1.26 -4.46 116.55 121.15 3gbu n ASP 105 Ca -0.03 0.29 -0.43 0.00 -0.01 0.00 0.00 54.79 54.61 3gbu n ASP 105 Cb 0.49 0.61 0.00 0.00 -1.03 0.00 0.00 41.12 41.20 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 -2.66 5.09 -4.32 -1.12 4.64 -1.26 -4.75 116.55 112.17 3gbu n ASP 106 Ca -0.02 -3.04 -0.17 0.00 -1.38 0.00 0.00 54.79 50.17 3gbu n ASP 106 Cb 0.60 -1.53 -0.10 0.00 -1.04 0.00 0.00 41.12 39.05 3gbu n ASP 106 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 3gbu s VAL 107 N 1.14 0.64 0.20 5.18 -7.23 -1.26 -4.67 120.40 114.39 3gbu s VAL 107 Ca 0.42 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.46 3gbu s VAL 107 Cb 0.05 -2.65 0.16 0.00 0.56 0.00 0.00 36.38 34.49 3gbu s VAL 107 CO 0.00 0.00 1.68 0.00 -0.31 0.00 0.00 175.10 176.47 3gbu h ALA 108 N 2.33 0.53 0.00 1.32 0.00 -1.38 -2.63 119.26 119.43 3gbu h ALA 108 Ca -0.38 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3gbu h ALA 108 Cb 1.25 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3gbu h ALA 108 CO 0.62 -0.39 0.00 0.10 0.00 0.00 0.00 179.25 179.58 3gbu h TYR 109 N 0.12 0.00 -0.05 0.00 -0.00 -1.71 -0.38 116.97 114.95 3gbu h TYR 109 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.01 3gbu h TYR 109 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.16 3gbu h TYR 109 CO -0.33 0.00 0.00 1.19 -0.00 0.00 0.00 178.16 179.02 3gbu n PHE 110 N -2.91 0.04 -3.82 0.10 3.72 -0.99 -4.80 117.46 108.79 3gbu n PHE 110 Ca -0.01 -0.02 -0.36 0.00 -0.05 0.00 0.00 57.45 57.01 3gbu n PHE 110 Cb 0.19 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.60 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 -1.93 5.12 -0.15 4.37 2.47 -0.15 -2.92 114.94 121.75 3gbu s ASN 111 Ca 0.36 -1.19 -0.34 0.00 0.42 0.00 0.00 52.86 52.11 3gbu s ASN 111 Cb 0.20 -1.80 0.13 0.00 -1.45 0.00 0.00 41.25 38.34 3gbu s ASN 111 CO 0.32 -0.29 1.22 0.42 -3.72 0.00 0.00 177.10 175.05 3gbu s THR 113 N 1.34 0.00 0.56 -5.21 -4.23 -1.26 -4.84 115.64 102.00 3gbu s THR 113 Ca -0.03 -0.05 0.26 0.00 -1.18 0.00 0.00 61.69 60.69 3gbu s THR 113 Cb -0.20 -1.20 0.35 0.00 1.34 0.00 0.00 72.50 72.79 3gbu s THR 113 CO 0.01 0.00 2.11 -0.07 -0.54 0.00 0.00 174.62 176.13 3gbu h LEU 114 N 2.00 0.00 -1.55 4.79 3.38 -1.92 0.10 115.31 122.11 3gbu h LEU 114 Ca -0.13 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 3gbu h LEU 114 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 3gbu h LEU 114 CO 0.24 0.00 -0.24 0.78 0.09 0.00 0.00 178.44 179.31 3gbu h ASN 115 N 0.00 0.00 1.15 -0.43 -0.26 -2.01 -2.44 115.58 111.59 3gbu h ASN 115 Ca 0.09 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.83 3gbu h ASN 115 Cb 0.44 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.70 3gbu h ASN 115 CO -0.00 0.24 0.00 0.47 -1.06 0.00 0.00 177.43 177.07 3gbu n ASP 116 N -4.09 0.33 -4.67 5.81 8.00 0.36 -4.85 116.55 117.43 3gbu n ASP 116 Ca -0.02 0.53 -0.43 0.00 0.71 0.00 0.00 54.79 55.59 3gbu n ASP 116 Cb 0.30 -0.62 -0.02 0.00 -0.02 0.00 0.00 41.12 40.76 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 4.33 -0.90 0.53 -1.09 -0.92 -4.82 121.20 115.27 3gbu s ILE 117 Ca 0.12 1.62 -0.21 0.00 -2.23 0.00 0.00 60.65 59.95 3gbu s ILE 117 Cb 0.16 -4.05 0.09 0.00 -1.58 0.00 0.00 42.46 37.08 3gbu s ILE 117 CO 0.54 -0.08 1.22 0.21 -1.23 0.00 0.00 174.94 175.60 3gbu s ASN 118 N 1.68 6.48 0.44 3.58 3.84 -1.26 -4.86 114.94 124.84 3gbu s ASN 118 Ca 0.54 -1.55 0.11 0.00 0.21 0.00 0.00 52.86 52.17 3gbu s ASN 118 Cb -0.22 -2.47 0.99 0.00 -0.55 0.00 0.00 41.25 39.00 3gbu s ASN 118 CO 0.17 -1.33 2.05 -0.50 -2.79 0.00 0.00 177.10 174.70 3gbu h TRP 119 N 9.37 0.24 -0.45 0.43 4.06 -1.95 -2.65 115.95 125.00 3gbu h TRP 119 Ca 0.07 -0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.03 3gbu h TRP 119 Cb 1.03 -0.08 -0.03 0.00 -1.00 0.00 0.00 29.16 29.08 3gbu h TRP 119 CO 1.17 0.22 0.28 -0.44 -3.56 0.00 0.00 178.44 176.11 3gbu h ASP 120 N 0.25 0.47 -0.11 -3.49 3.32 -1.99 0.38 116.42 115.25 3gbu h ASP 120 Ca 0.06 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3gbu h ASP 120 Cb 0.09 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 3gbu h ASP 120 CO -0.00 0.34 0.04 0.40 -1.72 0.00 0.00 179.24 178.29 3gbu h ILE 121 N 0.57 1.17 -0.41 0.35 2.04 -1.90 -2.16 117.51 117.17 3gbu h ILE 121 Ca 0.17 -0.52 -0.07 0.00 1.00 0.00 0.00 64.86 65.45 3gbu h ILE 121 Cb -0.02 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 3gbu h ILE 121 CO -0.06 0.15 -0.05 -0.37 0.00 0.00 0.00 178.15 177.82 3gbu h VAL 122 N 0.00 1.24 0.00 1.67 -1.51 -1.31 -2.57 116.25 113.77 3gbu h VAL 122 Ca 0.04 -1.00 -0.07 0.00 -1.23 0.00 0.00 66.70 64.43 3gbu h VAL 122 Cb 0.21 0.97 -0.01 0.00 -2.13 0.00 0.00 31.29 30.33 3gbu h VAL 122 CO -0.00 0.35 -0.34 -0.33 -1.23 0.00 0.00 177.57 176.01 3gbu h GLU 123 N 0.64 0.00 0.00 5.19 5.08 -0.88 -2.93 114.58 121.68 3gbu h GLU 123 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3gbu h GLU 123 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3gbu h GLU 123 CO 0.02 0.34 0.00 -1.91 -1.00 0.00 0.00 179.01 176.46 3gbu n GLU 124 N -3.47 0.21 -2.95 2.33 2.13 -0.82 -4.84 120.64 113.22 3gbu n GLU 124 Ca 0.00 0.33 -0.38 0.00 0.66 0.00 0.00 57.16 57.77 3gbu n GLU 124 Cb 0.50 -1.82 -0.06 0.00 0.27 0.00 0.00 31.44 30.33 3gbu n GLU 124 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3gbu s ALA 125 N -3.22 3.38 -0.04 4.31 0.00 -1.11 -4.69 121.76 120.40 3gbu s ALA 125 Ca 0.07 0.36 0.13 0.00 0.00 0.00 0.00 51.96 52.52 3gbu s ALA 125 Cb 0.11 -2.99 -0.18 0.00 0.00 0.00 0.00 23.12 20.06 3gbu s ALA 125 CO 0.47 0.27 0.89 0.87 0.00 0.00 0.00 175.76 178.25 3gbu h LYS 126 N 3.84 0.00 -3.83 0.00 1.79 -0.58 -3.43 116.57 114.36 3gbu h LYS 126 Ca -0.47 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 57.67 3gbu h LYS 126 Cb 1.20 0.00 -0.32 0.00 -1.58 0.00 0.00 32.23 31.53 3gbu h LYS 126 CO 0.66 0.55 -0.75 0.42 -1.08 0.00 0.00 179.45 179.25 3gbu s ILE 127 N -2.73 0.21 -0.17 1.86 1.01 -1.10 -0.79 121.20 119.49 3gbu s ILE 127 Ca -0.02 0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.65 3gbu s ILE 127 Cb 0.09 -0.27 0.01 0.00 0.01 0.00 0.00 42.46 42.30 3gbu s ILE 127 CO 0.81 0.13 -0.18 -0.69 0.00 0.00 0.00 174.94 175.01 3gbu s VAL 128 N 0.69 2.28 -0.16 2.92 1.01 0.26 -1.76 120.40 125.65 3gbu s VAL 128 Ca -0.07 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 60.99 3gbu s VAL 128 Cb -0.10 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 3gbu s VAL 128 CO -0.01 0.52 -0.02 0.21 0.00 0.00 0.00 175.10 175.81 3gbu s ASN 129 N 1.18 4.98 0.10 3.32 2.47 0.41 -0.87 114.94 126.52 3gbu s ASN 129 Ca 0.02 -0.08 -0.04 0.00 0.42 0.00 0.00 52.86 53.18 3gbu s ASN 129 Cb -0.14 -1.82 -0.03 0.00 -1.45 0.00 0.00 41.25 37.81 3gbu s ASN 129 CO -0.08 0.17 0.09 0.72 -3.72 0.00 0.00 177.10 174.28 3gbu s PHE 130 N 0.35 0.51 0.34 0.43 -0.12 -0.61 -0.90 117.98 117.98 3gbu s PHE 130 Ca -0.03 -0.96 0.03 0.00 -0.05 0.00 0.00 56.93 55.93 3gbu s PHE 130 Cb -0.14 -0.29 -0.05 0.00 -0.63 0.00 0.00 43.02 41.92 3gbu s PHE 130 CO 0.02 -0.51 0.10 0.20 -0.05 0.00 0.00 175.22 174.98 3gbu s GLY 131 N -2.95 2.18 0.38 1.99 0.00 -1.26 -2.43 107.32 105.23 3gbu s GLY 131 Ca 0.13 -1.73 0.20 0.00 0.00 0.00 0.00 44.72 43.32 3gbu s GLY 131 CO -0.05 -1.76 1.70 1.48 0.00 0.00 0.00 173.10 174.47 3gbu h SER 132 N 2.07 0.00 -0.37 1.64 4.64 -1.68 -3.34 113.55 116.51 3gbu h SER 132 Ca -0.38 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 60.99 3gbu h SER 132 Cb 1.25 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.30 3gbu h SER 132 CO 0.62 0.33 0.11 0.58 -0.87 0.00 0.00 176.83 177.60 3gbu h VAL 133 N 0.00 0.86 -0.11 0.95 2.07 -1.84 -1.36 116.25 116.82 3gbu h VAL 133 Ca -0.00 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.46 3gbu h VAL 133 Cb 0.95 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3gbu h VAL 133 CO 0.04 0.05 0.11 -0.29 0.02 0.00 0.00 177.57 177.50 3gbu h ILE 134 N 0.25 0.56 0.00 4.57 6.09 -1.96 -1.27 117.51 125.74 3gbu h ILE 134 Ca 0.17 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.66 3gbu h ILE 134 Cb 0.17 0.91 0.00 0.00 0.47 0.00 0.00 36.82 38.37 3gbu h ILE 134 CO -0.20 0.00 0.00 0.18 -3.07 0.00 0.00 178.15 175.06 3gbu n LEU 135 N -3.92 0.23 0.32 2.19 4.77 -0.51 -3.76 117.00 116.31 3gbu n LEU 135 Ca -0.00 0.53 0.21 0.00 -0.03 0.00 0.00 56.01 56.72 3gbu n LEU 135 Cb 0.22 -0.48 1.04 0.00 -2.33 0.00 0.00 43.42 41.88 3gbu n LEU 135 CO 0.28 -0.16 1.12 0.00 -1.33 0.00 0.00 177.39 177.30 3gbu h ALA 136 N 2.70 1.03 -3.05 -1.18 0.00 -1.22 -3.43 119.26 114.11 3gbu h ALA 136 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 3gbu h ALA 136 Cb 0.46 -0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.03 3gbu h ALA 136 CO 0.00 0.01 -0.64 1.03 0.00 0.00 0.00 179.25 179.65 3gbu s ARG 137 N -4.03 0.30 0.38 0.00 1.81 -1.25 -4.94 118.95 111.23 3gbu s ARG 137 Ca -0.03 -0.41 -0.02 0.00 -1.72 0.00 0.00 55.73 53.55 3gbu s ARG 137 Cb 0.12 0.12 -0.04 0.00 -0.45 0.00 0.00 34.95 34.70 3gbu s ARG 137 CO 0.46 -0.06 0.62 -0.80 -0.68 0.00 0.00 175.30 174.84 3gbu s ASN 138 N -1.13 6.31 0.00 0.23 0.02 -1.26 -1.24 114.94 117.88 3gbu s ASN 138 Ca -0.12 0.64 0.28 0.00 -1.02 0.00 0.00 52.86 52.64 3gbu s ASN 138 Cb -0.07 -2.12 1.24 0.00 0.02 0.00 0.00 41.25 40.32 3gbu s ASN 138 CO -0.00 -0.36 1.92 -0.81 0.02 0.00 0.00 177.10 177.86 3gbu n PRO 139 N -1.77 0.06 -0.32 -0.60 -0.04 -1.20 -4.79 135.00 126.34 3gbu n PRO 139 Ca -0.03 0.02 0.08 0.00 -0.04 0.00 0.00 63.50 63.53 3gbu n PRO 139 Cb 0.55 -1.50 0.25 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 0.68 0.24 3.54 0.02 -1.44 -0.25 113.55 116.34 3gbu h SER 140 Ca 0.00 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3gbu h SER 140 Cb 0.45 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 3gbu h SER 140 CO 0.00 0.30 -0.24 -0.09 -1.14 0.00 0.00 176.83 175.66 3gbu h ARG 141 N 0.74 -0.50 -0.52 3.45 2.43 -1.27 0.26 114.38 118.97 3gbu h ARG 141 Ca 0.50 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.70 3gbu h ARG 141 Cb 0.67 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.31 3gbu h ARG 141 CO -0.34 -0.33 0.33 1.05 -1.51 0.00 0.00 179.97 179.16 3gbu h GLU 142 N -0.52 0.70 -0.45 0.20 4.11 -1.74 -2.74 114.58 114.15 3gbu h GLU 142 Ca -0.00 -0.05 0.02 0.00 0.07 0.00 0.00 59.36 59.39 3gbu h GLU 142 Cb 0.48 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 3gbu h GLU 142 CO -0.05 0.49 0.28 1.15 0.07 0.00 0.00 179.01 180.94 3gbu h THR 143 N 0.71 1.07 0.00 -1.06 2.02 -0.71 -1.80 112.91 113.13 3gbu h THR 143 Ca 0.19 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3gbu h THR 143 Cb -0.04 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 3gbu h THR 143 CO -0.04 0.10 0.00 0.52 0.37 0.00 0.00 175.52 176.47 3gbu n VAL 144 N -4.82 0.30 0.00 3.16 0.31 0.90 -1.52 118.33 116.66 3gbu n VAL 144 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 3gbu n VAL 144 Cb 0.05 -0.57 0.00 0.00 -0.91 0.00 0.00 33.84 32.42 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 0.66 0.00 -0.17 5.55 5.02 -0.68 -1.09 118.16 127.45 3gbu n LYS 146 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 3gbu n LYS 146 Cb 0.18 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.20 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 1.16 -0.68 -0.18 2.07 -1.52 -1.86 116.25 115.24 3gbu h VAL 147 Ca 0.00 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 67.06 3gbu h VAL 147 Cb 0.00 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 3gbu h VAL 147 CO 0.00 0.17 0.17 0.40 0.02 0.00 0.00 177.57 178.33 3gbu h ILE 148 N 0.65 1.26 -0.41 4.57 1.08 -1.38 -2.84 117.51 120.44 3gbu h ILE 148 Ca 0.17 -0.96 -0.07 0.00 -0.39 0.00 0.00 64.86 63.61 3gbu h ILE 148 Cb 0.02 0.57 -0.02 0.00 -3.07 0.00 0.00 36.82 34.32 3gbu h ILE 148 CO -0.03 0.37 -0.04 0.11 -0.69 0.00 0.00 178.15 177.86 3gbu h LYS 149 N 1.03 0.69 0.00 2.37 1.57 -1.75 -2.05 116.57 118.42 3gbu h LYS 149 Ca 0.21 -0.19 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 3gbu h LYS 149 Cb 0.37 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3gbu h LYS 149 CO 0.00 0.74 -0.57 -0.22 -0.57 0.00 0.00 179.45 178.83 3gbu h LYS 150 N 0.64 0.00 -0.03 3.15 3.64 -1.16 -3.28 116.57 119.53 3gbu h LYS 150 Ca 0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3gbu h LYS 150 Cb 0.46 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3gbu h LYS 150 CO 0.02 0.57 0.00 0.44 -2.27 0.00 0.00 179.45 178.21 3gbu n ILE 151 N -3.75 0.02 0.03 2.00 -5.35 -1.09 -4.55 119.36 106.68 3gbu n ILE 151 Ca -0.01 -0.51 0.02 0.00 -0.27 0.00 0.00 62.75 61.98 3gbu n ILE 151 Cb 0.60 1.38 0.10 0.00 -1.74 0.00 0.00 39.64 39.97 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 1.06 0.02 0.00 6.28 3.00 -0.78 -2.73 118.16 125.01 3gbu n LYS 152 Ca 0.11 0.45 0.09 0.00 -0.00 0.00 0.00 58.31 58.96 3gbu n LYS 152 Cb 0.47 -1.68 0.01 0.00 0.00 0.00 0.00 35.03 33.84 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 -1.38 0.08 1.22 3.14 0.00 -1.26 -4.37 105.19 102.61 3gbu n GLY 153 Ca -0.00 -0.51 0.03 0.00 0.00 0.00 0.00 46.02 45.54 3gbu n GLY 153 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gbu n SER 154 N 0.15 0.87 -3.63 1.61 3.41 -1.10 -5.06 113.62 109.87 3gbu n SER 154 Ca 0.08 -2.15 -0.14 0.00 -0.26 0.00 0.00 58.87 56.41 3gbu n SER 154 Cb 0.39 -0.30 -0.07 0.00 -0.26 0.00 0.00 64.21 63.97 3gbu n SER 154 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3gbu s SER 155 N -1.90 -0.75 0.33 4.04 0.01 -1.17 -4.75 113.70 109.52 3gbu s SER 155 Ca 0.28 1.44 -0.26 0.00 1.31 0.00 0.00 55.95 58.71 3gbu s SER 155 Cb 0.31 1.45 -0.10 0.00 0.21 0.00 0.00 66.02 67.90 3gbu s SER 155 CO -0.13 -0.25 0.98 -0.76 0.41 0.00 0.00 173.24 173.50 3gbu s LEU 156 N 0.41 4.32 -0.18 2.44 1.43 0.03 -4.61 118.68 122.53 3gbu s LEU 156 Ca -0.00 1.92 -0.03 0.00 -1.03 0.00 0.00 54.13 54.99 3gbu s LEU 156 Cb -0.05 -4.01 -0.02 0.00 0.03 0.00 0.00 46.19 42.14 3gbu s LEU 156 CO 0.00 -0.16 -0.05 -0.63 0.23 0.00 0.00 176.35 175.74 3gbu s ILE 157 N -1.57 3.60 -0.06 -0.59 -1.09 -1.26 -0.57 121.20 119.66 3gbu s ILE 157 Ca 0.51 -0.44 0.04 0.00 -2.23 0.00 0.00 60.65 58.53 3gbu s ILE 157 Cb -0.21 -2.60 -0.02 0.00 -1.58 0.00 0.00 42.46 38.06 3gbu s ILE 157 CO 0.26 0.46 -0.18 0.00 -1.23 0.00 0.00 174.94 174.25 3gbu s ALA 158 N 0.81 2.46 -0.04 9.38 0.00 -0.05 -0.42 121.76 133.90 3gbu s ALA 158 Ca -0.01 -1.00 -0.00 0.00 0.00 0.00 0.00 51.96 50.94 3gbu s ALA 158 Cb -0.15 -0.87 0.03 0.00 0.00 0.00 0.00 23.12 22.13 3gbu s ALA 158 CO 0.02 0.47 0.01 0.12 0.00 0.00 0.00 175.76 176.38 3gbu s PHE 159 N -0.41 0.36 -0.30 0.00 5.36 0.42 -1.57 117.98 121.84 3gbu s PHE 159 Ca 0.04 -0.00 -0.11 0.00 -0.96 0.00 0.00 56.93 55.91 3gbu s PHE 159 Cb -0.12 -0.51 -0.02 0.00 -0.34 0.00 0.00 43.02 42.02 3gbu s PHE 159 CO 0.02 -0.18 0.17 0.34 -1.46 0.00 0.00 175.22 174.11 3gbu s ASP 160 N 1.40 5.75 0.30 6.13 -1.08 -1.02 -1.10 116.67 127.05 3gbu s ASP 160 Ca -0.04 -0.31 0.04 0.00 -0.52 0.00 0.00 52.55 51.71 3gbu s ASP 160 Cb -0.13 -2.06 0.64 0.00 -1.46 0.00 0.00 42.92 39.91 3gbu s ASP 160 CO -0.03 -0.14 1.83 0.58 0.52 0.00 0.00 175.17 177.93 3gbu h VAL 161 N 5.52 0.87 -4.99 1.11 2.07 -1.41 -3.09 116.25 116.32 3gbu h VAL 161 Ca -0.34 -0.31 -0.12 0.00 0.82 0.00 0.00 66.70 66.76 3gbu h VAL 161 Cb 1.16 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3gbu h VAL 161 CO 0.60 0.16 -0.28 -3.20 0.02 0.00 0.00 177.57 174.87 3gbu n ASN 162 N -4.63 -1.19 -4.69 0.57 5.15 -1.26 -4.03 115.26 105.18 3gbu n ASN 162 Ca 0.20 -0.20 -0.42 0.00 -0.60 0.00 0.00 54.58 53.55 3gbu n ASN 162 Cb 0.42 -0.39 -0.03 0.00 -0.53 0.00 0.00 39.78 39.25 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 -2.32 4.24 -0.49 1.20 2.96 -1.26 -4.31 118.68 118.70 3gbu s LEU 163 Ca 0.02 1.42 0.03 0.00 -0.22 0.00 0.00 54.13 55.37 3gbu s LEU 163 Cb -0.00 -3.43 0.14 0.00 0.50 0.00 0.00 46.19 43.40 3gbu s LEU 163 CO 0.22 -0.40 0.29 -0.13 -1.32 0.00 0.00 176.35 175.01 3gbu s ARG 164 N 1.89 1.53 0.28 1.98 1.81 -1.26 -5.00 118.95 120.16 3gbu s ARG 164 Ca 0.45 -2.30 0.01 0.00 -1.72 0.00 0.00 55.73 52.17 3gbu s ARG 164 Cb -0.18 -2.56 0.65 0.00 -0.45 0.00 0.00 34.95 32.41 3gbu s ARG 164 CO 0.17 -1.19 1.68 -0.07 -0.68 0.00 0.00 175.30 175.21 3gbu h LEU 165 N 6.41 0.17 -1.31 2.53 3.38 -1.99 -0.85 115.31 123.65 3gbu h LEU 165 Ca 0.03 0.16 0.22 0.00 0.09 0.00 0.00 57.88 58.37 3gbu h LEU 165 Cb 0.90 0.18 -0.09 0.00 0.09 0.00 0.00 40.66 41.74 3gbu h LEU 165 CO 0.54 -0.05 0.62 0.44 0.09 0.00 0.00 178.44 180.09 3gbu h ASP 166 N 0.32 0.54 0.48 -0.43 3.32 -2.00 0.32 116.42 118.97 3gbu h ASP 166 Ca 0.52 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.64 3gbu h ASP 166 Cb 0.97 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.50 3gbu h ASP 166 CO -0.55 0.18 0.00 -0.07 -1.72 0.00 0.00 179.24 177.08 3gbu h LEU 167 N 0.52 0.00 -3.02 1.55 3.38 -1.59 -2.98 115.31 113.16 3gbu h LEU 167 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.51 3gbu h LEU 167 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3gbu h LEU 167 CO -0.27 0.00 0.00 0.79 0.09 0.00 0.00 178.44 179.05 3gbu n TRP 168 N -2.30 0.29 -1.72 1.13 7.02 0.11 -4.90 117.44 117.07 3gbu n TRP 168 Ca 0.01 -0.70 -0.43 0.00 -1.02 0.00 0.00 57.50 55.36 3gbu n TRP 168 Cb 0.16 -0.12 -0.02 0.00 -2.42 0.00 0.00 31.31 28.91 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 -0.50 2.48 0.00 -0.99 1.85 -1.13 -0.56 116.66 117.80 3gbu n ARG 169 Ca 0.11 0.88 0.00 0.00 -1.00 0.00 0.00 57.85 57.84 3gbu n ARG 169 Cb 0.51 -2.63 0.00 0.00 -1.05 0.00 0.00 32.46 29.29 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 2.38 2.08 1.51 2.89 0.00 -1.26 -4.81 105.19 107.98 3gbu n GLY 170 Ca 0.11 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.16 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 0.57 -0.32 1.61 10.64 0.27 -4.86 117.38 123.29 3gbu n GLN 171 Ca 0.00 -2.46 0.12 0.00 -1.83 0.00 0.00 57.00 52.83 3gbu n GLN 171 Cb 0.00 -0.52 0.29 0.00 -0.86 0.00 0.00 30.24 29.15 3gbu n GLN 171 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 3gbu h GLU 172 N 1.21 0.56 0.22 2.61 3.07 -1.81 -1.72 114.58 118.73 3gbu h GLU 172 Ca -0.16 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.66 3gbu h GLU 172 Cb 1.66 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 29.42 3gbu h GLU 172 CO 0.11 0.37 -0.38 0.93 -1.40 0.00 0.00 179.01 178.64 3gbu h GLU 173 N 0.58 -0.62 -1.85 2.33 4.39 -1.90 -2.19 114.58 115.31 3gbu h GLU 173 Ca 0.54 0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.29 3gbu h GLU 173 Cb 0.91 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 3gbu h GLU 173 CO -0.43 -0.41 0.00 -1.91 -1.16 0.00 0.00 179.01 175.09 3gbu n GLU 174 N -4.65 0.00 0.00 2.33 4.07 -0.65 -2.68 120.64 119.05 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 0.32 -1.26 0.00 0.00 -0.06 0.00 0.00 31.44 30.44 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 1.22 0.00 -0.03 6.31 2.08 -0.83 -1.37 119.36 126.75 3gbu n ILE 176 Ca 0.00 0.00 -0.12 0.00 0.56 0.00 0.00 62.75 63.19 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 0.15 -0.17 0.38 1.57 -1.79 -2.44 116.57 114.27 3gbu h LYS 177 Ca 0.00 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.58 3gbu h LYS 177 Cb 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3gbu h LYS 177 CO 0.00 0.48 -0.50 -0.39 -0.57 0.00 0.00 179.45 178.46 3gbu h VAL 178 N -0.19 1.32 -0.58 0.50 -1.51 -1.53 -2.06 116.25 112.21 3gbu h VAL 178 Ca 0.02 -1.74 -0.05 0.00 -1.23 0.00 0.00 66.70 63.70 3gbu h VAL 178 Cb 0.42 1.74 -0.02 0.00 -2.13 0.00 0.00 31.29 31.30 3gbu h VAL 178 CO 0.01 0.54 0.15 -0.07 -1.23 0.00 0.00 177.57 176.96 3gbu h LEU 179 N 0.38 0.87 -0.27 4.19 3.38 -1.82 0.30 115.31 122.34 3gbu h LEU 179 Ca 0.02 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 3gbu h LEU 179 Cb 1.02 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3gbu h LEU 179 CO 0.09 0.87 0.12 -0.08 0.09 0.00 0.00 178.44 179.53 3gbu h GLU 180 N 0.83 0.40 -0.01 1.13 4.81 -1.34 0.11 114.58 120.51 3gbu h GLU 180 Ca 0.18 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3gbu h GLU 180 Cb 0.34 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 3gbu h GLU 180 CO 0.00 0.42 -0.07 0.93 -0.73 0.00 0.00 179.01 179.56 3gbu h GLU 181 N 0.29 -0.11 -0.18 1.92 5.08 -1.16 -1.51 114.58 118.91 3gbu h GLU 181 Ca 0.09 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.50 3gbu h GLU 181 Cb 0.16 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 3gbu h GLU 181 CO -0.01 -0.07 -0.10 0.77 -1.00 0.00 0.00 179.01 178.60 3gbu h SER 182 N -0.11 -0.34 -0.76 1.42 0.02 -0.68 -1.62 113.55 111.48 3gbu h SER 182 Ca 0.03 0.08 0.07 0.00 -0.84 0.00 0.00 61.79 61.13 3gbu h SER 182 Cb 0.15 0.18 -0.06 0.00 0.14 0.00 0.00 62.40 62.81 3gbu h SER 182 CO -0.08 -0.14 0.44 0.40 -1.14 0.00 0.00 176.83 176.32 3gbu h ILE 183 N -0.09 0.98 0.00 3.27 2.04 -0.58 -1.85 117.51 121.28 3gbu h ILE 183 Ca 0.10 -0.27 -0.07 0.00 1.00 0.00 0.00 64.86 65.62 3gbu h ILE 183 Cb 0.25 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 3gbu h ILE 183 CO -0.24 0.15 -0.33 0.11 0.00 0.00 0.00 178.15 177.84 3gbu h LYS 184 N 0.80 0.00 0.00 2.37 1.57 -0.76 -2.10 116.57 118.45 3gbu h LYS 184 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 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 -0.19 0.33 -0.04 1.28 -0.57 0.00 0.00 179.45 180.25 3gbu n LEU 185 N -4.05 0.28 -4.77 2.94 4.77 -0.66 -4.86 117.00 110.65 3gbu n LEU 185 Ca -0.02 0.49 -0.38 0.00 -0.03 0.00 0.00 56.01 56.07 3gbu n LEU 185 Cb 0.38 -0.43 -0.06 0.00 -2.33 0.00 0.00 43.42 40.98 3gbu n LEU 185 CO 0.38 -0.05 0.13 0.00 -1.33 0.00 0.00 177.39 176.52 3gbu s ALA 186 N -3.03 3.58 0.04 -1.18 0.00 -0.79 -4.72 121.76 115.66 3gbu s ALA 186 Ca 0.13 -0.21 -0.10 0.00 0.00 0.00 0.00 51.96 51.77 3gbu s ALA 186 Cb 0.17 -2.52 -0.32 0.00 0.00 0.00 0.00 23.12 20.45 3gbu s ALA 186 CO 0.56 0.23 1.03 -0.44 0.00 0.00 0.00 175.76 177.14 3gbu h ASP 187 N 5.78 0.65 -3.15 0.00 3.32 -1.03 -2.38 116.42 119.61 3gbu h ASP 187 Ca -0.46 -0.71 -0.67 0.00 0.02 0.00 0.00 57.03 55.21 3gbu h ASP 187 Cb 1.20 -0.21 -0.34 0.00 0.22 0.00 0.00 39.33 40.20 3gbu h ASP 187 CO 0.69 1.56 -0.84 -0.63 -1.72 0.00 0.00 179.24 178.30 3gbu s ILE 188 N -2.62 2.26 -0.08 0.35 1.01 -0.11 -0.84 121.20 121.17 3gbu s ILE 188 Ca -0.07 -0.88 0.05 0.00 0.00 0.00 0.00 60.65 59.74 3gbu s ILE 188 Cb 0.05 -1.95 -0.00 0.00 0.01 0.00 0.00 42.46 40.57 3gbu s ILE 188 CO 0.91 0.53 -0.23 -0.69 0.00 0.00 0.00 174.94 175.46 3gbu s VAL 189 N 1.17 1.91 -0.07 2.92 1.01 -0.48 -0.44 120.40 126.41 3gbu s VAL 189 Ca 0.02 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.09 3gbu s VAL 189 Cb -0.14 -1.64 -0.00 0.00 0.00 0.00 0.00 36.38 34.60 3gbu s VAL 189 CO -0.08 0.53 -0.21 -0.75 0.00 0.00 0.00 175.10 174.58 3gbu s LYS 190 N 0.16 2.47 0.20 2.72 2.20 -0.26 -0.10 119.74 127.14 3gbu s LYS 190 Ca -0.12 -0.77 -0.18 0.00 -0.36 0.00 0.00 55.97 54.53 3gbu s LYS 190 Cb -0.16 -1.99 0.03 0.00 -1.51 0.00 0.00 37.83 34.20 3gbu s LYS 190 CO 0.06 0.24 0.55 0.00 -0.36 0.00 0.00 175.35 175.84 3gbu s ALA 191 N 0.16 -1.02 0.45 3.13 0.00 -0.65 -1.01 121.76 122.83 3gbu s ALA 191 Ca -0.11 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.68 3gbu s ALA 191 Cb -0.15 0.86 -0.00 0.00 0.00 0.00 0.00 23.12 23.83 3gbu s ALA 191 CO 0.05 -0.83 0.68 -1.54 0.00 0.00 0.00 175.76 174.12 3gbu s SER 192 N -2.87 5.84 0.34 0.00 1.04 -1.26 -0.43 113.70 116.37 3gbu s SER 192 Ca 0.09 0.31 0.03 0.00 0.48 0.00 0.00 55.95 56.86 3gbu s SER 192 Cb -0.01 -1.56 0.63 0.00 0.10 0.00 0.00 66.02 65.17 3gbu s SER 192 CO -0.03 -0.70 1.95 1.05 0.98 0.00 0.00 173.24 176.49 3gbu h GLU 193 N 0.39 0.69 -0.23 4.02 4.11 -1.72 -1.04 114.58 120.81 3gbu h GLU 193 Ca -0.46 -0.09 -0.01 0.00 0.07 0.00 0.00 59.36 58.87 3gbu h GLU 193 Cb 1.25 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 3gbu h GLU 193 CO 0.57 0.55 0.10 0.93 0.07 0.00 0.00 179.01 181.24 3gbu h GLU 194 N 0.69 0.33 -0.75 1.06 3.07 -1.94 -0.62 114.58 116.43 3gbu h GLU 194 Ca 0.17 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 58.93 3gbu h GLU 194 Cb 0.10 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 27.92 3gbu h GLU 194 CO -0.02 0.35 0.30 0.93 -1.40 0.00 0.00 179.01 179.17 3gbu h GLU 195 N 0.23 1.12 0.28 2.33 5.08 -1.82 0.19 114.58 121.99 3gbu h GLU 195 Ca 0.08 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3gbu h GLU 195 Cb 0.14 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3gbu h GLU 195 CO -0.01 0.91 -0.13 0.28 -1.00 0.00 0.00 179.01 179.06 3gbu h VAL 196 N 1.09 0.73 -0.26 3.13 2.07 -0.94 -0.25 116.25 121.83 3gbu h VAL 196 Ca 0.25 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.79 3gbu h VAL 196 Cb 0.21 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 3gbu h VAL 196 CO -0.02 0.01 -0.02 0.25 0.02 0.00 0.00 177.57 177.81 3gbu h LEU 197 N -0.39 -0.15 -0.17 2.57 5.85 -0.84 -0.71 115.31 121.48 3gbu h LEU 197 Ca -0.04 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.78 3gbu h LEU 197 Cb 0.30 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3gbu h LEU 197 CO 0.06 -0.04 -0.04 0.22 -0.34 0.00 0.00 178.44 178.30 3gbu h TYR 198 N 0.05 -0.09 -0.47 1.25 3.20 -0.74 -1.39 116.97 118.78 3gbu h TYR 198 Ca 0.12 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.90 3gbu h TYR 198 Cb 0.17 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 3gbu h TYR 198 CO -0.22 -0.07 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.03 3gbu h LEU 199 N -0.00 0.93 -0.97 2.82 3.38 -0.77 -3.00 115.31 117.70 3gbu h LEU 199 Ca 0.08 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 3gbu h LEU 199 Cb 0.12 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3gbu h LEU 199 CO -0.17 1.08 0.04 -0.33 0.09 0.00 0.00 178.44 179.14 3gbu h GLU 200 N 0.77 0.78 0.00 1.13 5.08 -0.74 0.43 114.58 122.02 3gbu h GLU 200 Ca 0.12 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3gbu h GLU 200 Cb 0.68 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3gbu h GLU 200 CO 0.05 0.77 0.00 0.09 -1.00 0.00 0.00 179.01 178.92 3gbu n ASN 201 N -4.24 0.25 -0.84 1.42 4.13 -0.53 -0.01 115.26 115.44 3gbu n ASN 201 Ca 0.03 0.59 0.07 0.00 1.68 0.00 0.00 54.58 56.95 3gbu n ASN 201 Cb 0.28 -0.63 0.21 0.00 -1.54 0.00 0.00 39.78 38.10 3gbu n ASN 201 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gbu n GLN 202 N -1.81 2.99 -0.86 3.52 1.13 -0.05 -4.95 117.38 117.35 3gbu n GLN 202 Ca 0.01 -2.41 0.00 0.00 -1.94 0.00 0.00 57.00 52.66 3gbu n GLN 202 Cb 0.09 -1.53 0.00 0.00 0.11 0.00 0.00 30.24 28.91 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 0.56 3.61 1.08 0.00 0.99 -5.04 105.19 106.68 3gbu n GLY 203 Ca 0.17 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 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 4.54 -0.23 1.61 1.01 -0.10 -4.96 120.40 120.27 3gbu s VAL 204 Ca 0.00 -0.13 -0.21 0.00 0.00 0.00 0.00 61.98 61.64 3gbu s VAL 204 Cb 0.00 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 3gbu s VAL 204 CO 0.00 0.49 0.67 -0.70 0.00 0.00 0.00 175.10 175.56 3gbu s GLU 205 N 0.17 4.16 -1.02 2.72 2.12 -1.26 -2.36 118.70 123.23 3gbu s GLU 205 Ca 0.03 0.65 -0.13 0.00 0.36 0.00 0.00 54.97 55.88 3gbu s GLU 205 Cb -0.13 -3.63 0.21 0.00 0.26 0.00 0.00 34.13 30.85 3gbu s GLU 205 CO 0.01 -0.38 1.08 0.08 -0.54 0.00 0.00 175.26 175.51 3gbu s VAL 206 N 2.39 5.48 -0.10 3.70 1.01 -1.26 -4.95 120.40 126.67 3gbu s VAL 206 Ca 0.29 -2.68 -0.15 0.00 0.00 0.00 0.00 61.98 59.44 3gbu s VAL 206 Cb -0.16 -4.66 0.04 0.00 0.00 0.00 0.00 36.38 31.60 3gbu s VAL 206 CO 0.09 -1.29 0.38 -0.54 0.00 0.00 0.00 175.10 173.75 3gbu s LYS 207 N 0.40 0.57 0.25 2.72 1.02 -1.26 -5.02 119.74 118.43 3gbu s LYS 207 Ca 0.30 0.28 -0.08 0.00 0.02 0.00 0.00 55.97 56.48 3gbu s LYS 207 Cb -0.08 0.27 -0.07 0.00 -0.52 0.00 0.00 37.83 37.44 3gbu s LYS 207 CO -0.07 -0.12 0.56 0.20 -0.92 0.00 0.00 175.35 175.00 3gbu s GLY 208 N -0.40 2.14 0.00 -3.33 0.00 -1.26 -4.78 107.32 99.69 3gbu s GLY 208 Ca -0.05 -0.36 0.02 0.00 0.00 0.00 0.00 44.72 44.33 3gbu s GLY 208 CO 0.02 -0.22 0.49 -1.14 0.00 0.00 0.00 173.10 172.25 3gbu n SER 209 N -0.43 0.00 -4.78 1.64 3.41 -0.90 -4.61 113.62 107.96 3gbu n SER 209 Ca -0.00 -0.14 -0.36 0.00 -0.26 0.00 0.00 58.87 58.10 3gbu n SER 209 Cb 0.53 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.44 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 -1.66 4.11 -0.05 1.04 2.96 -0.02 -4.90 118.68 120.14 3gbu s LEU 211 Ca 0.03 2.08 0.03 0.00 -0.22 0.00 0.00 54.13 56.05 3gbu s LEU 211 Cb 0.02 -4.21 0.01 0.00 0.50 0.00 0.00 46.19 42.50 3gbu s LEU 211 CO 0.03 -0.58 -0.12 -0.89 -1.32 0.00 0.00 176.35 173.47 3gbu s THR 212 N -1.65 1.09 -0.23 3.68 2.01 -0.13 -1.39 115.64 119.02 3gbu s THR 212 Ca 0.59 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 62.12 3gbu s THR 212 Cb -0.23 -0.98 0.05 0.00 0.01 0.00 0.00 72.50 71.35 3gbu s THR 212 CO 0.28 0.34 -0.11 0.00 -0.69 0.00 0.00 174.62 174.45 3gbu s ALA 213 N 0.45 2.29 -0.29 7.40 0.00 0.86 -0.03 121.76 132.44 3gbu s ALA 213 Ca -0.10 -1.50 -0.09 0.00 0.00 0.00 0.00 51.96 50.27 3gbu s ALA 213 Cb -0.13 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.53 3gbu s ALA 213 CO 0.03 -1.02 0.13 0.42 0.00 0.00 0.00 175.76 175.31 3gbu s ILE 214 N 1.25 4.56 0.24 0.00 -1.09 0.32 -1.64 121.20 124.84 3gbu s ILE 214 Ca -0.05 -0.30 -0.19 0.00 -2.23 0.00 0.00 60.65 57.88 3gbu s ILE 214 Cb -0.18 -3.25 -0.08 0.00 -1.58 0.00 0.00 42.46 37.36 3gbu s ILE 214 CO -0.07 0.17 0.74 0.42 -1.23 0.00 0.00 174.94 174.97 3gbu s THR 215 N 1.62 4.57 -0.21 2.92 -4.23 0.43 0.12 115.64 120.86 3gbu s THR 215 Ca 0.05 1.27 0.11 0.00 -1.18 0.00 0.00 61.69 61.94 3gbu s THR 215 Cb -0.16 -3.83 0.42 0.00 1.34 0.00 0.00 72.50 70.26 3gbu s THR 215 CO 0.06 0.15 1.23 0.18 -0.54 0.00 0.00 174.62 175.69 3gbu n LEU 216 N 0.56 2.75 0.00 4.79 4.77 0.63 -1.89 117.00 128.62 3gbu n LEU 216 Ca -0.01 -3.85 0.00 0.00 -0.03 0.00 0.00 56.01 52.12 3gbu n LEU 216 Cb 0.51 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3gbu n LEU 216 CO 0.43 1.36 0.00 0.61 -1.33 0.00 0.00 177.39 178.46 3gbu n GLY 217 N -1.14 1.55 0.26 -0.72 0.00 -1.24 -3.31 105.19 100.60 3gbu n GLY 217 Ca 0.19 -0.67 0.10 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.61 1.61 0.11 -2.03 -2.86 132.00 128.22 3gbu h PRO 218 Ca 0.00 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.13 3gbu h PRO 218 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 3gbu h PRO 218 CO 0.00 0.06 0.38 0.87 -0.21 0.00 0.00 178.00 179.10 3gbu h LYS 219 N 0.00 0.74 0.00 1.05 1.57 -1.96 -3.41 116.57 114.56 3gbu h LYS 219 Ca -0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3gbu h LYS 219 Cb 0.12 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3gbu h LYS 219 CO 0.01 0.49 0.00 0.41 -0.57 0.00 0.00 179.45 179.79 3gbu n GLY 220 N -1.27 0.40 3.31 3.86 0.00 -1.08 0.65 105.19 111.06 3gbu n GLY 220 Ca 0.05 -1.30 -0.12 0.00 0.00 0.00 0.00 46.02 44.65 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 -4.00 1.04 -0.07 1.61 -0.12 -0.72 -0.27 117.98 115.45 3gbu s PHE 221 Ca 0.00 -1.26 0.02 0.00 -0.05 0.00 0.00 56.93 55.64 3gbu s PHE 221 Cb 0.00 -0.38 0.01 0.00 -0.63 0.00 0.00 43.02 42.02 3gbu s PHE 221 CO 0.00 -0.77 -0.14 0.50 -0.05 0.00 0.00 175.22 174.76 3gbu s ARG 222 N -3.99 1.88 -0.12 1.99 3.52 0.12 -0.33 118.95 122.01 3gbu s ARG 222 Ca 0.35 -0.47 -0.03 0.00 -0.13 0.00 0.00 55.73 55.45 3gbu s ARG 222 Cb 0.04 -1.52 -0.03 0.00 -1.56 0.00 0.00 34.95 31.88 3gbu s ARG 222 CO 0.13 0.05 -0.03 -0.51 -0.81 0.00 0.00 175.30 174.14 3gbu s LEU 223 N 0.62 3.36 -0.09 -0.88 1.43 -0.36 -0.52 118.68 122.24 3gbu s LEU 223 Ca -0.15 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 3gbu s LEU 223 Cb -0.16 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.29 3gbu s LEU 223 CO 0.04 0.26 -0.10 -0.63 0.23 0.00 0.00 176.35 176.15 3gbu s ILE 224 N -0.16 1.13 -0.28 -0.59 1.01 0.96 -0.50 121.20 122.77 3gbu s ILE 224 Ca 0.04 -0.41 -0.02 0.00 0.00 0.00 0.00 60.65 60.26 3gbu s ILE 224 Cb -0.13 -1.09 0.09 0.00 0.01 0.00 0.00 42.46 41.34 3gbu s ILE 224 CO 0.02 0.37 0.08 -0.75 0.00 0.00 0.00 174.94 174.66 3gbu s LYS 225 N 1.21 0.69 7.96 2.79 2.20 -0.76 -0.96 119.74 132.87 3gbu s LYS 225 Ca -0.04 -0.86 0.00 0.00 -0.36 0.00 0.00 55.97 54.71 3gbu s LYS 225 Cb -0.14 -1.97 0.00 0.00 -1.51 0.00 0.00 37.83 34.21 3gbu s LYS 225 CO -0.03 -0.89 0.00 0.09 -0.36 0.00 0.00 175.35 174.16 3gbu n ASN 226 N 4.93 0.00 0.03 1.43 5.03 -1.26 -1.95 115.26 123.47 3gbu n ASN 226 Ca -0.05 0.00 0.11 0.00 0.87 0.00 0.00 54.58 55.52 3gbu n ASN 226 Cb 0.43 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 39.11 3gbu n ASN 226 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3gbu n GLU 227 N 12.84 0.57 -2.21 3.52 1.02 -1.26 -4.91 120.64 130.21 3gbu n GLU 227 Ca 0.00 -0.06 -0.43 0.00 -0.02 0.00 0.00 57.16 56.65 3gbu n GLU 227 Cb 0.00 -1.63 -0.02 0.00 -0.02 0.00 0.00 31.44 29.77 3gbu n GLU 227 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3gbu s THR 228 N -3.41 3.90 -0.14 2.62 2.01 -0.82 -5.01 115.64 114.79 3gbu s THR 228 Ca -0.03 1.06 -0.03 0.00 0.31 0.00 0.00 61.69 62.99 3gbu s THR 228 Cb 0.13 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 3gbu s THR 228 CO 0.86 -0.19 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.86 3gbu s VAL 229 N 4.22 3.88 -0.27 3.82 1.01 -1.26 -1.83 120.40 129.97 3gbu s VAL 229 Ca 0.65 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 62.29 3gbu s VAL 229 Cb -0.25 -2.69 0.07 0.00 0.00 0.00 0.00 36.38 33.51 3gbu s VAL 229 CO 0.24 0.51 -0.07 -0.69 0.00 0.00 0.00 175.10 175.08 3gbu s VAL 230 N 0.22 2.05 0.02 2.92 1.01 0.34 -4.99 120.40 121.98 3gbu s VAL 230 Ca -0.02 -1.67 -0.27 0.00 0.00 0.00 0.00 61.98 60.01 3gbu s VAL 230 Cb -0.14 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 3gbu s VAL 230 CO 0.03 -0.14 0.85 -1.81 0.00 0.00 0.00 175.10 174.03 3gbu s ASP 231 N 1.13 7.27 -0.47 3.32 1.01 -1.26 -1.22 116.67 126.45 3gbu s ASP 231 Ca -0.05 1.53 0.03 0.00 0.71 0.00 0.00 52.55 54.77 3gbu s ASP 231 Cb -0.20 -2.51 0.13 0.00 1.01 0.00 0.00 42.92 41.35 3gbu s ASP 231 CO -0.06 -0.10 0.23 -0.69 0.21 0.00 0.00 175.17 174.75 3gbu s VAL 232 N 0.41 2.16 0.36 -1.27 1.01 0.55 -5.00 120.40 118.63 3gbu s VAL 232 Ca 0.44 -2.94 -0.28 0.00 0.00 0.00 0.00 61.98 59.19 3gbu s VAL 232 Cb -0.21 -2.52 -0.11 0.00 0.00 0.00 0.00 36.38 33.54 3gbu s VAL 232 CO 0.25 -0.80 1.48 -2.16 0.00 0.00 0.00 175.10 173.87 3gbu s PRO 233 N 0.08 4.14 0.30 2.72 0.04 -1.26 -1.76 135.00 139.26 3gbu s PRO 233 Ca 0.16 2.53 -0.29 0.00 0.04 0.00 0.00 61.00 63.44 3gbu s PRO 233 Cb -0.25 -2.99 -0.10 0.00 0.04 0.00 0.00 34.50 31.21 3gbu s PRO 233 CO -0.02 -0.50 1.14 -1.54 0.04 0.00 0.00 177.00 176.12 3gbu s SER 234 N -0.08 7.10 0.16 6.66 1.04 0.21 -4.90 113.70 123.88 3gbu s SER 234 Ca 0.54 2.35 -0.32 0.00 0.48 0.00 0.00 55.95 59.00 3gbu s SER 234 Cb -0.46 -2.63 -0.10 0.00 0.10 0.00 0.00 66.02 62.93 3gbu s SER 234 CO 0.59 -0.27 1.61 -0.31 0.98 0.00 0.00 173.24 175.84 3gbu s TYR 235 N -1.20 2.95 0.12 5.02 2.02 -1.26 -4.91 117.35 120.09 3gbu s TYR 235 Ca 0.47 0.53 -0.31 0.00 -0.37 0.00 0.00 57.07 57.39 3gbu s TYR 235 Cb -0.33 -3.97 -0.08 0.00 -0.40 0.00 0.00 41.96 37.18 3gbu s TYR 235 CO 0.43 -3.64 1.40 1.21 -1.57 0.00 0.00 175.55 173.38 3gbu s ASN 236 N 1.33 6.81 0.23 2.29 2.47 -1.26 -4.94 114.94 121.87 3gbu s ASN 236 Ca 0.71 2.35 -0.09 0.00 0.42 0.00 0.00 52.86 56.25 3gbu s ASN 236 Cb -0.44 -2.59 -0.01 0.00 -1.45 0.00 0.00 41.25 36.75 3gbu s ASN 236 CO 0.32 -0.66 0.37 0.68 -3.72 0.00 0.00 177.10 174.09 3gbu s VAL 237 N 1.03 0.01 -0.49 -5.21 -7.23 -1.26 -5.11 120.40 102.14 3gbu s VAL 237 Ca 0.64 -1.56 -0.11 0.00 -1.81 0.00 0.00 61.98 59.14 3gbu s VAL 237 Cb -0.37 -2.25 0.12 0.00 0.56 0.00 0.00 36.38 34.43 3gbu s VAL 237 CO 0.31 -0.02 0.39 0.21 -0.31 0.00 0.00 175.10 175.67 3gbu s ASN 238 N -3.05 5.84 0.05 4.85 3.84 -1.26 -5.05 114.94 120.16 3gbu s ASN 238 Ca 0.26 -1.85 -0.31 0.00 0.21 0.00 0.00 52.86 51.18 3gbu s ASN 238 Cb 0.02 -2.07 -0.07 0.00 -0.55 0.00 0.00 41.25 38.57 3gbu s ASN 238 CO 0.09 -0.73 1.59 -2.16 -2.79 0.00 0.00 177.10 173.10 3gbu s PRO 239 N 1.44 4.22 -0.15 0.43 0.04 -1.26 -4.80 135.00 134.91 3gbu s PRO 239 Ca 0.05 2.23 -0.10 0.00 0.04 0.00 0.00 61.00 63.23 3gbu s PRO 239 Cb -0.27 -3.60 -0.24 0.00 0.04 0.00 0.00 34.50 30.43 3gbu s PRO 239 CO 0.01 -0.70 0.28 -0.11 0.04 0.00 0.00 177.00 176.52 3gbu n LEU 240 N 5.59 2.48 -3.66 -3.56 7.94 0.50 -4.92 117.00 121.35 3gbu n LEU 240 Ca 0.15 0.24 -0.09 0.00 -1.11 0.00 0.00 56.01 55.20 3gbu n LEU 240 Cb 0.41 -1.07 -0.10 0.00 0.53 0.00 0.00 43.42 43.19 3gbu n LEU 240 CO 0.62 0.73 0.01 -0.62 -1.11 0.00 0.00 177.39 177.02 3gbu s ASP 241 N -6.99 -0.23 0.00 1.96 -1.08 -0.77 -5.00 116.67 104.56 3gbu s ASP 241 Ca -0.25 0.94 0.22 0.00 -0.52 0.00 0.00 52.55 52.94 3gbu s ASP 241 Cb 0.07 1.21 0.46 0.00 -1.46 0.00 0.00 42.92 43.20 3gbu s ASP 241 CO 0.71 -0.23 1.41 0.35 0.52 0.00 0.00 175.17 177.93 3gbu n THR 242 N 5.24 0.66 -0.29 1.71 -2.24 -1.26 -4.14 114.28 113.95 3gbu n THR 242 Ca -0.10 -0.83 0.08 0.00 -2.27 0.00 0.00 64.05 60.93 3gbu n THR 242 Cb 0.50 0.83 0.23 0.00 -2.10 0.00 0.00 70.33 69.79 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 4.17 0.68 -0.69 4.28 2.02 -1.91 -2.37 112.91 119.09 3gbu h THR 243 Ca 0.00 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.99 3gbu h THR 243 Cb 0.95 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 3gbu h THR 243 CO 0.00 0.10 0.00 0.61 0.37 0.00 0.00 175.52 176.60 3gbu n GLY 244 N -1.33 2.63 0.32 2.16 0.00 -1.20 -4.55 105.19 103.21 3gbu n GLY 244 Ca 0.17 -0.82 -0.08 0.00 0.00 0.00 0.00 46.02 45.30 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 4.18 0.93 -0.16 4.61 0.00 -1.73 -1.12 119.26 125.97 3gbu h ALA 245 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3gbu h ALA 245 Cb 1.20 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3gbu h ALA 245 CO 0.10 0.66 0.10 0.78 0.00 0.00 0.00 179.25 180.90 3gbu h GLY 246 N 1.04 0.22 1.82 0.00 0.00 -1.80 0.25 103.07 104.61 3gbu h GLY 246 Ca 0.20 -0.08 -0.12 0.00 0.00 0.00 0.00 47.33 47.33 3gbu h GLY 246 CO 0.02 0.07 -0.48 -0.55 0.00 0.00 0.00 176.54 175.59 3gbu h ASP 247 N 0.21 0.21 -0.35 0.19 3.32 -1.86 -2.70 116.42 115.44 3gbu h ASP 247 Ca 0.06 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 56.91 3gbu h ASP 247 Cb -0.01 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3gbu h ASP 247 CO -0.02 0.66 -0.21 0.00 -1.72 0.00 0.00 179.24 177.95 3gbu h ALA 248 N 1.35 0.49 0.00 3.45 0.00 -0.94 -1.00 119.26 122.60 3gbu h ALA 248 Ca 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3gbu h ALA 248 Cb 0.91 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3gbu h ALA 248 CO 0.07 0.45 0.00 0.34 0.00 0.00 0.00 179.25 180.11 3gbu n PHE 249 N -4.28 0.00 0.00 0.00 7.35 0.85 -1.29 117.46 120.10 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 0.43 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.26 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 0.24 0.00 -0.21 3.13 0.00 -0.38 -1.12 120.51 122.17 3gbu n ALA 251 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 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 0.78 -0.37 0.00 0.00 -1.45 -1.28 119.26 116.93 3gbu h ALA 252 Ca 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3gbu h ALA 252 Cb 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3gbu h ALA 252 CO 0.00 0.56 0.22 1.25 0.00 0.00 0.00 179.25 181.28 3gbu h LEU 253 N 0.88 0.45 -0.41 0.00 5.85 -1.37 0.27 115.31 120.98 3gbu h LEU 253 Ca 0.17 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 3gbu h LEU 253 Cb 0.46 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3gbu h LEU 253 CO 0.02 0.37 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.40 3gbu h LEU 254 N 0.49 0.72 -0.84 2.25 3.38 -1.79 -0.34 115.31 119.19 3gbu h LEU 254 Ca 0.13 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 3gbu h LEU 254 Cb 0.01 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3gbu h LEU 254 CO -0.02 0.87 -0.11 0.58 0.09 0.00 0.00 178.44 179.84 3gbu h VAL 255 N 0.56 1.26 -0.23 1.22 2.07 -1.06 -1.00 116.25 119.06 3gbu h VAL 255 Ca 0.11 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 3gbu h VAL 255 Cb 0.51 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3gbu h VAL 255 CO 0.02 0.39 0.10 1.23 0.02 0.00 0.00 177.57 179.34 3gbu h GLY 256 N 0.97 0.37 1.65 2.17 0.00 -0.21 -0.43 103.07 107.60 3gbu h GLY 256 Ca 0.11 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 3gbu h GLY 256 CO 0.04 0.19 -0.05 -2.22 0.00 0.00 0.00 176.54 174.50 3gbu h ILE 257 N 0.23 1.19 -0.04 2.60 2.04 -0.85 -0.93 117.51 121.75 3gbu h ILE 257 Ca 0.08 -0.79 -0.22 0.00 1.00 0.00 0.00 64.86 64.93 3gbu h ILE 257 Cb 0.17 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 3gbu h ILE 257 CO -0.01 0.26 -0.87 0.25 0.00 0.00 0.00 178.15 177.78 3gbu h LEU 258 N 0.42 0.62 0.16 1.44 5.85 -0.93 -3.36 115.31 119.50 3gbu h LEU 258 Ca 0.09 -0.46 -0.33 0.00 0.84 0.00 0.00 57.88 58.02 3gbu h LEU 258 Cb 0.35 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.20 3gbu h LEU 258 CO 0.01 1.24 -1.65 0.11 -0.34 0.00 0.00 178.44 177.81 3gbu h LYS 259 N 0.30 0.33 -6.35 1.25 1.79 -0.89 -3.46 116.57 109.55 3gbu h LYS 259 Ca -0.07 -0.56 -0.54 0.00 -2.18 0.00 0.00 60.65 57.29 3gbu h LYS 259 Cb 1.49 0.21 -0.00 0.00 -1.58 0.00 0.00 32.23 32.35 3gbu h LYS 259 CO 0.16 1.22 0.91 -0.51 -1.08 0.00 0.00 179.45 180.14 3gbu s LEU 260 N -7.14 4.31 -1.11 2.94 1.43 -0.37 -4.91 118.68 113.83 3gbu s LEU 260 Ca -0.13 2.16 -0.21 0.00 -1.03 0.00 0.00 54.13 54.92 3gbu s LEU 260 Cb 0.06 -3.55 0.06 0.00 0.03 0.00 0.00 46.19 42.78 3gbu s LEU 260 CO 0.86 -0.78 1.55 -1.59 0.23 0.00 0.00 176.35 176.61 3gbu s LYS 261 N 2.81 3.72 0.00 1.70 0.00 -1.26 -4.63 119.74 122.07 3gbu s LYS 261 Ca 0.66 -1.41 0.00 0.00 0.00 0.00 0.00 55.97 55.23 3gbu s LYS 261 Cb -0.32 -5.42 0.00 0.00 0.00 0.00 0.00 37.83 32.09 3gbu s LYS 261 CO 0.27 -2.24 0.00 0.41 0.00 0.00 0.00 175.35 173.79 3gbu n GLY 262 N 6.40 2.83 3.09 0.59 0.00 -1.26 -4.87 105.19 111.97 3gbu n GLY 262 Ca 0.38 -1.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.55 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 2.62 -4.56 0.99 4.77 -1.26 -4.86 117.00 114.70 3gbu n LEU 263 Ca 0.00 -2.14 -0.32 0.00 -0.03 0.00 0.00 56.01 53.52 3gbu n LEU 263 Cb 0.00 -0.82 -0.04 0.00 -2.33 0.00 0.00 43.42 40.23 3gbu n LEU 263 CO 0.00 -0.78 1.43 -0.62 -1.33 0.00 0.00 177.39 176.09 3gbu s ASP 264 N 5.22 5.34 0.33 -1.43 -1.08 -1.26 -4.83 116.67 118.96 3gbu s ASP 264 Ca 0.46 -0.41 0.05 0.00 -0.52 0.00 0.00 52.55 52.13 3gbu s ASP 264 Cb 0.11 -2.55 0.69 0.00 -1.46 0.00 0.00 42.92 39.70 3gbu s ASP 264 CO 0.13 -2.48 1.89 -0.07 0.52 0.00 0.00 175.17 175.15 3gbu h LEU 265 N 16.77 0.77 -0.29 -1.34 3.38 -1.99 -1.31 115.31 131.30 3gbu h LEU 265 Ca -0.03 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3gbu h LEU 265 Cb 1.06 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 3gbu h LEU 265 CO 1.23 0.44 -0.01 -0.07 0.09 0.00 0.00 178.44 180.12 3gbu h LEU 266 N 0.84 0.51 -0.70 1.67 -0.00 -2.00 -1.12 115.31 114.52 3gbu h LEU 266 Ca 0.42 -0.32 -0.09 0.00 -0.00 0.00 0.00 57.88 57.89 3gbu h LEU 266 Cb 0.48 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 40.98 3gbu h LEU 266 CO -0.19 0.71 -0.01 0.11 -0.00 0.00 0.00 178.44 179.07 3gbu h LYS 267 N 0.30 0.99 0.35 1.13 1.57 -1.88 -2.29 116.57 116.74 3gbu h LYS 267 Ca 0.08 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.54 3gbu h LYS 267 Cb 0.46 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3gbu h LYS 267 CO 0.02 0.98 -0.17 1.25 -0.57 0.00 0.00 179.45 180.96 3gbu h LEU 268 N 0.91 -0.39 -0.46 2.94 5.85 -1.19 -1.81 115.31 121.16 3gbu h LEU 268 Ca 0.16 -0.09 0.09 0.00 0.84 0.00 0.00 57.88 58.88 3gbu h LEU 268 Cb 0.54 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.59 3gbu h LEU 268 CO 0.03 -0.14 -0.02 1.23 -0.34 0.00 0.00 178.44 179.20 3gbu h GLY 269 N -0.65 0.44 1.05 3.75 0.00 -1.15 0.05 103.07 106.56 3gbu h GLY 269 Ca -0.05 0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.31 3gbu h GLY 269 CO 0.08 -0.14 0.33 0.50 0.00 0.00 0.00 176.54 177.31 3gbu h LYS 270 N 0.09 1.20 -0.20 4.80 1.57 -1.39 -0.36 116.57 122.28 3gbu h LYS 270 Ca 0.23 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3gbu h LYS 270 Cb 0.34 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3gbu h LYS 270 CO -0.40 0.97 -0.00 0.35 -0.57 0.00 0.00 179.45 179.79 3gbu h PHE 271 N 1.17 0.38 -0.51 -1.35 3.57 -0.58 -0.38 116.94 119.25 3gbu h PHE 271 Ca 0.27 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 3gbu h PHE 271 Cb 0.21 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 3gbu h PHE 271 CO 0.02 0.55 0.18 0.00 -2.23 0.00 0.00 178.31 176.83 3gbu h ALA 272 N 0.78 0.66 -0.62 2.41 0.00 -0.91 -1.33 119.26 120.26 3gbu h ALA 272 Ca 0.06 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3gbu h ALA 272 Cb 0.40 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3gbu h ALA 272 CO 0.01 0.30 0.21 -0.97 0.00 0.00 0.00 179.25 178.79 3gbu h ASN 273 N 0.68 0.90 0.16 0.00 -1.24 -1.03 -0.84 115.58 114.21 3gbu h ASN 273 Ca 0.17 -0.20 -0.01 0.00 0.71 0.00 0.00 56.30 56.97 3gbu h ASN 273 Cb 0.24 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.06 3gbu h ASN 273 CO -0.01 0.86 -0.08 0.25 -1.29 0.00 0.00 177.43 177.16 3gbu h LEU 274 N 0.89 -0.18 -0.52 0.34 5.85 -0.79 -0.26 115.31 120.64 3gbu h LEU 274 Ca 0.20 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 3gbu h LEU 274 Cb 0.27 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3gbu h LEU 274 CO -0.01 -0.12 0.20 0.58 -0.34 0.00 0.00 178.44 178.75 3gbu h VAL 275 N -0.23 1.22 -0.46 1.05 2.07 -1.15 -1.59 116.25 117.16 3gbu h VAL 275 Ca -0.02 -0.69 -0.13 0.00 0.82 0.00 0.00 66.70 66.67 3gbu h VAL 275 Cb 0.18 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 3gbu h VAL 275 CO 0.04 0.26 -0.24 0.00 0.02 0.00 0.00 177.57 177.65 3gbu h ALA 276 N 1.05 0.70 0.10 1.67 0.00 -1.09 -1.36 119.26 120.32 3gbu h ALA 276 Ca 0.17 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3gbu h ALA 276 Cb 0.21 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3gbu h ALA 276 CO -0.01 0.67 -0.05 0.00 0.00 0.00 0.00 179.25 179.86 3gbu h ALA 277 N 0.89 -0.14 0.00 0.00 0.00 -0.94 -2.95 119.26 116.12 3gbu h ALA 277 Ca 0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3gbu h ALA 277 Cb 0.82 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 3gbu h ALA 277 CO 0.07 -0.46 -0.07 -0.07 0.00 0.00 0.00 179.25 178.71 3gbu h LEU 278 N -0.37 0.00 -1.77 0.00 3.38 -1.28 -1.57 115.31 113.70 3gbu h LEU 278 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3gbu h LEU 278 Cb 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3gbu h LEU 278 CO 0.02 0.07 -0.15 0.77 0.09 0.00 0.00 178.44 179.25 3gbu h SER 279 N 0.00 0.00 0.25 -0.43 4.64 -1.07 -1.70 113.55 115.25 3gbu h SER 279 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gbu h SER 279 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3gbu h SER 279 CO 0.01 0.15 0.00 0.35 -0.87 0.00 0.00 176.83 176.47 3gbu n THR 280 N -3.67 0.68 1.49 2.95 -2.24 -0.59 -1.77 114.28 111.13 3gbu n THR 280 Ca -0.02 0.17 0.14 0.00 -2.27 0.00 0.00 64.05 62.07 3gbu n THR 280 Cb 0.27 -0.95 0.55 0.00 -2.10 0.00 0.00 70.33 68.09 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 -1.30 1.34 -4.67 -0.78 1.13 -0.64 -0.37 117.38 112.09 3gbu n GLN 281 Ca 0.06 -0.70 -0.25 0.00 -1.94 0.00 0.00 57.00 54.17 3gbu n GLN 281 Cb 0.11 -1.49 -0.14 0.00 0.11 0.00 0.00 30.24 28.83 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 -2.14 1.35 0.63 -1.09 1.02 -0.73 -4.87 119.74 113.91 3gbu s LYS 282 Ca 0.35 -0.83 -0.10 0.00 0.02 0.00 0.00 55.97 55.41 3gbu s LYS 282 Cb 0.21 -1.40 -0.02 0.00 -0.52 0.00 0.00 37.83 36.10 3gbu s LYS 282 CO 0.39 0.36 1.02 1.03 -0.92 0.00 0.00 175.35 177.24 3gbu s ARG 283 N -0.94 3.37 0.00 1.68 0.52 -1.26 -4.42 118.95 117.89 3gbu s ARG 283 Ca 0.06 0.60 0.00 0.00 -0.52 0.00 0.00 55.73 55.87 3gbu s ARG 283 Cb -0.08 -2.09 0.00 0.00 0.52 0.00 0.00 34.95 33.30 3gbu s ARG 283 CO 0.01 -0.67 0.00 0.41 0.02 0.00 0.00 175.30 175.07 3gbu n GLY 284 N -2.78 -0.59 0.23 -3.53 0.00 -1.26 -4.58 105.19 92.68 3gbu n GLY 284 Ca 0.06 -1.73 0.15 0.00 0.00 0.00 0.00 46.02 44.50 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 1.00 -2.66 4.61 0.00 -1.89 -3.17 119.26 117.14 3gbu h ALA 285 Ca 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.21 3gbu h ALA 285 Cb 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 17.79 17.43 3gbu h ALA 285 CO 0.00 0.00 -0.10 0.91 0.00 0.00 0.00 179.25 180.06 3gbu n TRP 286 N -2.93 3.87 0.04 0.00 8.01 -1.26 -4.60 117.44 120.58 3gbu n TRP 286 Ca 0.02 -3.98 0.08 0.00 -1.31 0.00 0.00 57.50 52.31 3gbu n TRP 286 Cb 0.37 -1.04 0.18 0.00 -2.01 0.00 0.00 31.31 28.82 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 1.95 3.09 -4.71 -0.99 3.41 -1.26 -4.96 113.62 110.16 3gbu n SER 287 Ca 0.23 -1.90 -0.42 0.00 -0.26 0.00 0.00 58.87 56.52 3gbu n SER 287 Cb 0.37 -0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 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 -1.13 2.61 0.46 6.66 2.01 -1.26 -4.28 115.64 120.72 3gbu s THR 288 Ca 0.30 0.35 -0.22 0.00 0.31 0.00 0.00 61.69 62.43 3gbu s THR 288 Cb 0.17 -3.23 -0.08 0.00 0.01 0.00 0.00 72.50 69.38 3gbu s THR 288 CO 0.23 0.02 1.12 -2.16 -0.69 0.00 0.00 174.62 173.13 3gbu s PRO 289 N 1.63 3.79 0.80 4.92 0.04 -1.26 -4.95 135.00 139.96 3gbu s PRO 289 Ca 0.73 1.63 -0.12 0.00 0.04 0.00 0.00 61.00 63.28 3gbu s PRO 289 Cb -0.44 -2.33 0.07 0.00 0.04 0.00 0.00 34.50 31.84 3gbu s PRO 289 CO 0.32 -0.49 1.12 1.03 0.04 0.00 0.00 177.00 179.02 3gbu s ARG 290 N -2.82 2.07 0.19 4.56 0.52 -1.26 -4.43 118.95 117.78 3gbu s ARG 290 Ca 0.64 0.44 -0.12 0.00 -0.52 0.00 0.00 55.73 56.17 3gbu s ARG 290 Cb -0.25 -1.93 0.10 0.00 0.52 0.00 0.00 34.95 33.39 3gbu s ARG 290 CO 0.30 -1.58 1.83 -0.22 0.02 0.00 0.00 175.30 175.64 3gbu h LYS 291 N -1.06 0.86 0.00 3.54 3.64 -1.39 -1.91 116.57 120.26 3gbu h LYS 291 Ca -0.47 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 3gbu h LYS 291 Cb 1.29 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 3gbu h LYS 291 CO 0.62 0.61 0.00 0.38 -2.27 0.00 0.00 179.45 178.79 3gbu h ASP 292 N 0.86 0.00 1.00 4.20 3.04 -1.94 -1.02 116.42 122.57 3gbu h ASP 292 Ca 0.23 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.02 3gbu h ASP 292 Cb -0.03 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.26 3gbu h ASP 292 CO -0.04 0.00 -0.78 -0.33 -2.04 0.00 0.00 179.24 176.05 3gbu h GLU 293 N 0.00 0.00 0.00 4.15 5.08 -1.72 -3.38 114.58 118.71 3gbu h GLU 293 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 3gbu h GLU 293 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3gbu h GLU 293 CO 0.00 0.00 -2.00 1.28 -1.00 0.00 0.00 179.01 177.29 3gbu n LEU 294 N -2.46 0.00 0.24 1.33 4.77 -0.43 -4.57 117.00 115.88 3gbu n LEU 294 Ca 0.02 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.16 3gbu n LEU 294 Cb 0.50 0.09 0.71 0.00 -2.33 0.00 0.00 43.42 42.38 3gbu n LEU 294 CO 0.38 0.09 1.14 -0.07 -1.33 0.00 0.00 177.39 177.60 3gbu h LEU 295 N 0.00 0.00 -0.01 2.23 3.38 -1.63 0.11 115.31 119.38 3gbu h LEU 295 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3gbu h LEU 295 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3gbu h LEU 295 CO 0.01 0.00 0.00 2.29 0.09 0.00 0.00 178.44 180.83 3gbu n LYS 296 N -3.12 0.01 -3.67 1.13 2.85 -1.26 -4.70 118.16 109.41 3gbu n LYS 296 Ca 0.02 0.09 -0.37 0.00 -1.05 0.00 0.00 58.31 57.01 3gbu n LYS 296 Cb 0.56 -1.52 -0.07 0.00 -0.65 0.00 0.00 35.03 33.35 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 -3.01 3.55 0.22 5.58 2.02 0.37 -4.98 117.35 121.10 3gbu s TYR 297 Ca 0.12 0.62 -0.06 0.00 -0.37 0.00 0.00 57.07 57.37 3gbu s TYR 297 Cb 0.16 -2.18 0.20 0.00 -0.40 0.00 0.00 41.96 39.74 3gbu s TYR 297 CO 0.45 0.49 1.75 1.57 -1.57 0.00 0.00 175.55 178.23 3gbu h LYS 298 N 5.74 1.04 0.00 -0.62 2.10 -1.86 -1.52 116.57 121.45 3gbu h LYS 298 Ca -0.48 -0.24 -0.01 0.00 -2.00 0.00 0.00 60.65 57.92 3gbu h LYS 298 Cb 1.19 -0.14 -0.00 0.00 -0.90 0.00 0.00 32.23 32.38 3gbu h LYS 298 CO 0.67 0.93 -0.05 0.93 -2.00 0.00 0.00 179.45 179.93 3gbu h GLU 299 N 0.99 0.00 0.15 0.07 3.07 -1.93 -1.58 114.58 115.34 3gbu h GLU 299 Ca 0.21 0.00 -0.35 0.00 -0.50 0.00 0.00 59.36 58.72 3gbu h GLU 299 Cb 0.36 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.27 3gbu h GLU 299 CO 0.00 0.05 -1.80 0.00 -1.40 0.00 0.00 179.01 175.86 3gbu h ALA 300 N 1.95 0.29 -0.37 3.43 0.00 -1.71 -3.34 119.26 119.52 3gbu h ALA 300 Ca -0.00 -1.23 -0.02 0.00 0.00 0.00 0.00 54.91 53.66 3gbu h ALA 300 Cb 0.08 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3gbu h ALA 300 CO 0.01 1.16 0.16 0.00 0.00 0.00 0.00 179.25 180.58 3gbu h ARG 301 N 0.09 0.52 -0.48 0.00 3.08 -0.97 0.39 114.38 117.00 3gbu h ARG 301 Ca -0.35 -0.06 0.12 0.00 0.07 0.00 0.00 59.98 59.76 3gbu h ARG 301 Cb 2.06 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 31.99 3gbu h ARG 301 CO 0.14 0.42 0.34 0.93 -1.07 0.00 0.00 179.97 180.73 3gbu h GLU 302 N 0.52 0.09 0.00 0.04 4.39 -1.41 -3.28 114.58 114.93 3gbu h GLU 302 Ca 0.13 -0.01 -0.27 0.00 0.34 0.00 0.00 59.36 59.55 3gbu h GLU 302 Cb 0.08 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.67 3gbu h GLU 302 CO -0.02 0.06 -1.85 0.28 -1.16 0.00 0.00 179.01 176.32 3gbu n VAL 303 N -4.42 1.23 1.97 3.13 0.31 -0.37 -4.96 118.33 115.22 3gbu n VAL 303 Ca 0.08 -0.18 0.16 0.00 -0.01 0.00 0.00 64.34 64.39 3gbu n VAL 303 Cb 0.49 -1.88 0.92 0.00 -0.91 0.00 0.00 33.84 32.46 3gbu n VAL 303 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69