#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dbu s TRP 5 N 0.00 3.10 0.00 1.57 1.48 -1.26 -4.86 118.94 118.97 3dbu s TRP 5 Ca 0.00 1.43 0.00 0.00 -1.06 0.00 0.00 56.10 56.47 3dbu s TRP 5 Cb 0.00 -2.89 0.00 0.00 -1.16 0.00 0.00 33.47 29.42 3dbu s TRP 5 CO 0.00 -1.23 0.00 0.41 -4.06 0.00 0.00 176.95 172.07 3dbu n GLY 6 N -1.94 2.09 0.00 3.67 0.00 -0.08 -5.03 105.19 103.90 3dbu n GLY 6 Ca 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3dbu n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3dbu n TYR 7 N 0.00 0.00 -1.40 1.61 4.01 -1.26 -3.79 117.16 116.33 3dbu n TYR 7 Ca 0.00 -0.35 -0.10 0.00 -0.16 0.00 0.00 57.90 57.29 3dbu n TYR 7 Cb 0.00 -0.03 0.07 0.00 -0.31 0.00 0.00 39.34 39.06 3dbu n TYR 7 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dbu n GLY 8 N -0.35 -1.11 0.16 2.72 0.00 -1.26 -4.68 105.19 100.68 3dbu n GLY 8 Ca 0.00 -1.71 -0.02 0.00 0.00 0.00 0.00 46.02 44.29 3dbu n GLY 8 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3dbu h LYS 9 N 0.00 0.14 -0.02 1.61 -0.00 -1.98 -1.99 116.57 114.33 3dbu h LYS 9 Ca -0.15 -0.08 0.00 0.00 -0.00 0.00 0.00 60.65 60.42 3dbu h LYS 9 Cb 0.41 0.01 0.00 0.00 -0.00 0.00 0.00 32.23 32.65 3dbu h LYS 9 CO 0.11 0.65 -0.23 0.72 -0.00 0.00 0.00 179.45 180.70 3dbu n HIS 10 N -3.90 0.00 -1.88 0.07 8.25 -1.26 -4.45 115.22 112.04 3dbu n HIS 10 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3dbu n HIS 10 Cb 0.57 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.67 3dbu n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3dbu n ASN 11 N 0.58 0.00 -3.62 0.41 6.94 -1.22 -4.97 115.26 113.37 3dbu n ASN 11 Ca 0.12 -1.85 -0.20 0.00 -0.02 0.00 0.00 54.58 52.63 3dbu n ASN 11 Cb 0.52 -0.17 0.13 0.00 -2.36 0.00 0.00 39.78 37.89 3dbu n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3dbu n GLY 12 N 0.00 -0.56 0.49 4.83 0.00 -0.75 -0.90 105.19 108.30 3dbu n GLY 12 Ca 0.00 -1.83 0.32 0.00 0.00 0.00 0.00 46.02 44.51 3dbu n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3dbu h PRO 13 N 0.00 0.14 0.00 1.61 0.11 -1.85 0.24 132.00 132.25 3dbu h PRO 13 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3dbu h PRO 13 Cb 0.90 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3dbu h PRO 13 CO 0.24 0.09 0.00 0.39 -0.21 0.00 0.00 178.00 178.52 3dbu n GLU 14 N -4.37 0.06 -0.00 1.05 -0.58 -1.26 -2.65 120.64 112.88 3dbu n GLU 14 Ca 0.27 0.21 0.10 0.00 -0.42 0.00 0.00 57.16 57.33 3dbu n GLU 14 Cb 1.17 -1.59 -0.12 0.00 -0.57 0.00 0.00 31.44 30.34 3dbu n GLU 14 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3dbu n HIS 15 N -1.69 0.00 0.22 -0.32 8.25 0.85 -4.61 115.22 117.92 3dbu n HIS 15 Ca 0.04 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.56 3dbu n HIS 15 Cb 0.25 -0.09 0.52 0.00 1.12 0.00 0.00 29.99 31.78 3dbu n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 3dbu h TRP 16 N 0.00 0.03 0.00 4.41 6.55 -1.50 -2.42 115.95 123.01 3dbu h TRP 16 Ca 0.00 -0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 3dbu h TRP 16 Cb 0.58 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 28.87 3dbu h TRP 16 CO 0.00 0.17 0.00 1.12 -1.05 0.00 0.00 178.44 178.68 3dbu h HIS 17 N 0.02 0.00 -0.18 0.49 2.07 -1.80 0.18 115.15 115.94 3dbu h HIS 17 Ca 0.00 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.37 3dbu h HIS 17 Cb 0.27 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.24 3dbu h HIS 17 CO 0.00 0.00 -0.54 0.87 -3.07 0.00 0.00 177.93 175.19 3dbu h LYS 18 N 0.00 0.52 0.00 5.12 1.57 -1.78 -2.97 116.57 119.03 3dbu h LYS 18 Ca 0.00 -0.32 -0.21 0.00 -1.87 0.00 0.00 60.65 58.25 3dbu h LYS 18 Cb 0.21 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 3dbu h LYS 18 CO 0.00 0.93 -1.73 -0.25 -0.57 0.00 0.00 179.45 177.83 3dbu n ASP 19 N -3.96 0.57 -3.72 0.86 8.00 -0.82 -4.75 116.55 112.74 3dbu n ASP 19 Ca -0.03 0.25 -0.28 0.00 0.71 0.00 0.00 54.79 55.44 3dbu n ASP 19 Cb 0.59 0.54 -0.12 0.00 -0.02 0.00 0.00 41.12 42.11 3dbu n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3dbu s PHE 20 N -2.86 2.38 0.50 1.24 0.08 0.56 -4.99 117.98 114.88 3dbu s PHE 20 Ca -0.05 -2.75 0.38 0.00 0.12 0.00 0.00 56.93 54.63 3dbu s PHE 20 Cb 0.09 -2.00 1.98 0.00 -0.57 0.00 0.00 43.02 42.52 3dbu s PHE 20 CO 0.83 -0.71 2.23 -1.35 -0.10 0.00 0.00 175.22 176.11 3dbu h PRO 21 N 6.03 0.00 0.00 0.24 0.11 -1.76 -0.19 132.00 136.43 3dbu h PRO 21 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 3dbu h PRO 21 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3dbu h PRO 21 CO 0.55 0.02 0.00 1.51 -0.21 0.00 0.00 178.00 179.87 3dbu n ILE 22 N -3.26 1.09 -0.00 4.15 3.06 -1.26 -1.65 119.36 121.49 3dbu n ILE 22 Ca -0.02 0.57 0.23 0.00 -2.50 0.00 0.00 62.75 61.03 3dbu n ILE 22 Cb 0.15 -1.54 0.72 0.00 0.54 0.00 0.00 39.64 39.51 3dbu n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3dbu h ALA 23 N 2.09 2.38 -0.49 1.51 0.00 -1.34 0.77 119.26 124.18 3dbu h ALA 23 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3dbu h ALA 23 Cb 0.10 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3dbu h ALA 23 CO 0.00 -0.84 0.04 1.63 0.00 0.00 0.00 179.25 180.08 3dbu n LYS 24 N -3.87 3.99 -0.81 0.00 5.02 -0.66 -4.96 118.16 116.87 3dbu n LYS 24 Ca 0.11 -2.52 -0.30 0.00 -2.02 0.00 0.00 58.31 53.58 3dbu n LYS 24 Cb 0.76 -2.11 0.25 0.00 -0.02 0.00 0.00 35.03 33.92 3dbu n LYS 24 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3dbu s GLY 25 N -0.64 1.52 0.10 0.72 0.00 0.27 -4.98 107.32 104.31 3dbu s GLY 25 Ca 0.44 -0.83 0.26 0.00 0.00 0.00 0.00 44.72 44.59 3dbu s GLY 25 CO 0.12 0.08 1.64 1.18 0.00 0.00 0.00 173.10 176.12 3dbu n GLU 26 N -5.05 0.17 -2.83 2.90 -0.58 -1.26 -4.33 120.64 109.66 3dbu n GLU 26 Ca 0.12 0.10 -0.12 0.00 -0.42 0.00 0.00 57.16 56.84 3dbu n GLU 26 Cb 0.59 -1.66 0.02 0.00 -0.57 0.00 0.00 31.44 29.83 3dbu n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 3dbu n ARG 27 N -1.93 1.09 -2.73 3.49 1.85 -1.26 -4.61 116.66 112.56 3dbu n ARG 27 Ca 0.05 -3.11 -0.30 0.00 -1.00 0.00 0.00 57.85 53.49 3dbu n ARG 27 Cb 0.40 -1.27 -0.03 0.00 -1.05 0.00 0.00 32.46 30.51 3dbu n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3dbu s GLN 28 N -2.48 3.77 0.22 2.89 -1.52 -1.26 -2.83 119.66 118.45 3dbu s GLN 28 Ca 0.30 0.52 0.10 0.00 -1.95 0.00 0.00 55.36 54.33 3dbu s GLN 28 Cb 0.41 -2.34 -0.05 0.00 -0.22 0.00 0.00 33.01 30.82 3dbu s GLN 28 CO -0.01 -0.11 -0.18 -1.12 -0.25 0.00 0.00 175.29 173.62 3dbu s SER 29 N -3.28 3.00 0.92 5.90 0.01 -1.26 -4.67 113.70 114.32 3dbu s SER 29 Ca 0.52 -0.99 -0.11 0.00 1.31 0.00 0.00 55.95 56.69 3dbu s SER 29 Cb -0.10 -0.20 0.18 0.00 0.21 0.00 0.00 66.02 66.10 3dbu s SER 29 CO 0.34 -0.06 1.10 -0.81 0.41 0.00 0.00 173.24 174.22 3dbu n PRO 30 N -0.31 -0.85 -4.12 12.44 -0.04 -1.26 -4.58 135.00 136.28 3dbu n PRO 30 Ca -0.08 -1.97 -0.08 0.00 -0.04 0.00 0.00 63.50 61.32 3dbu n PRO 30 Cb 0.59 -1.05 -0.10 0.00 -0.04 0.00 0.00 33.50 32.91 3dbu n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3dbu s VAL 31 N -3.34 0.23 0.04 0.52 -7.23 -1.26 -0.60 120.40 108.75 3dbu s VAL 31 Ca 0.64 -1.86 -0.29 0.00 -1.81 0.00 0.00 61.98 58.67 3dbu s VAL 31 Cb -0.02 -1.72 -0.04 0.00 0.56 0.00 0.00 36.38 35.15 3dbu s VAL 31 CO 0.45 -0.80 0.92 -0.62 -0.31 0.00 0.00 175.10 174.73 3dbu s ASP 32 N -2.98 7.36 -0.41 4.85 2.15 -1.26 -3.16 116.67 123.22 3dbu s ASP 32 Ca 0.14 1.63 -0.18 0.00 0.43 0.00 0.00 52.55 54.57 3dbu s ASP 32 Cb 0.08 -2.55 0.01 0.00 -0.30 0.00 0.00 42.92 40.16 3dbu s ASP 32 CO -0.05 -0.14 0.49 -0.63 -0.17 0.00 0.00 175.17 174.67 3dbu s ILE 33 N 0.48 5.03 -0.53 4.11 1.01 0.13 -4.93 121.20 126.50 3dbu s ILE 33 Ca 0.47 -0.10 -0.23 0.00 0.00 0.00 0.00 60.65 60.79 3dbu s ILE 33 Cb -0.21 -4.04 0.04 0.00 0.01 0.00 0.00 42.46 38.26 3dbu s ILE 33 CO 0.27 -0.40 0.85 -0.62 0.00 0.00 0.00 174.94 175.04 3dbu s ASP 34 N 1.84 6.31 0.51 3.58 -1.08 -1.26 0.53 116.67 127.09 3dbu s ASP 34 Ca 0.15 -0.49 0.34 0.00 -0.52 0.00 0.00 52.55 52.04 3dbu s ASP 34 Cb -0.16 -2.39 1.62 0.00 -1.46 0.00 0.00 42.92 40.53 3dbu s ASP 34 CO 0.15 -1.12 2.02 0.71 0.52 0.00 0.00 175.17 177.45 3dbu h THR 35 N 5.98 0.00 0.00 1.71 1.35 -1.95 -1.66 112.91 118.34 3dbu h THR 35 Ca -0.26 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 3dbu h THR 35 Cb 1.08 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 3dbu h THR 35 CO 1.05 0.00 -0.88 0.45 -0.25 0.00 0.00 175.52 175.88 3dbu h HIS 36 N 0.00 0.00 -0.01 4.73 3.86 -2.04 -3.35 115.15 118.35 3dbu h HIS 36 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3dbu h HIS 36 Cb 0.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.72 3dbu h HIS 36 CO 0.00 0.00 -0.14 0.25 0.86 0.00 0.00 177.93 178.90 3dbu n THR 37 N -2.62 0.00 -1.99 2.45 -2.24 -0.71 -4.96 114.28 104.21 3dbu n THR 37 Ca 0.01 -0.43 -0.41 0.00 -2.27 0.00 0.00 64.05 60.95 3dbu n THR 37 Cb 0.53 1.17 -0.01 0.00 -2.10 0.00 0.00 70.33 69.92 3dbu n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dbu s ALA 38 N -1.24 3.48 -0.24 6.98 0.00 -0.72 -4.81 121.76 125.21 3dbu s ALA 38 Ca 0.10 1.37 -0.14 0.00 0.00 0.00 0.00 51.96 53.29 3dbu s ALA 38 Cb 0.09 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 3dbu s ALA 38 CO 0.22 -0.82 0.33 0.21 0.00 0.00 0.00 175.76 175.69 3dbu s LYS 39 N -1.98 4.07 0.14 0.00 2.47 -0.45 -4.82 119.74 119.17 3dbu s LYS 39 Ca 0.52 0.00 -0.31 0.00 -1.56 0.00 0.00 55.97 54.62 3dbu s LYS 39 Cb -0.42 -3.59 -0.10 0.00 -1.46 0.00 0.00 37.83 32.26 3dbu s LYS 39 CO 0.56 -0.12 1.64 -0.47 0.16 0.00 0.00 175.35 177.11 3dbu s TYR 40 N 1.60 2.76 -0.38 4.03 5.04 -1.26 -0.34 117.35 128.80 3dbu s TYR 40 Ca 0.14 0.43 0.04 0.00 -2.44 0.00 0.00 57.07 55.24 3dbu s TYR 40 Cb -0.15 -3.99 0.11 0.00 0.35 0.00 0.00 41.96 38.27 3dbu s TYR 40 CO 0.08 -3.82 0.10 0.34 -1.34 0.00 0.00 175.55 170.91 3dbu s ASP 41 N 1.68 4.62 0.00 4.32 -1.08 0.08 -4.86 116.67 121.43 3dbu s ASP 41 Ca 0.73 -2.31 0.10 0.00 -0.52 0.00 0.00 52.55 50.55 3dbu s ASP 41 Cb -0.44 -1.58 0.47 0.00 -1.46 0.00 0.00 42.92 39.92 3dbu s ASP 41 CO 0.32 -0.35 1.30 -2.65 0.52 0.00 0.00 175.17 174.31 3dbu n PRO 42 N 4.04 0.05 0.16 4.34 -0.02 -1.26 -0.99 135.00 141.31 3dbu n PRO 42 Ca 0.04 0.28 0.13 0.00 -2.02 0.00 0.00 63.50 61.93 3dbu n PRO 42 Cb 0.40 -1.50 0.44 0.00 -0.02 0.00 0.00 33.50 32.82 3dbu n PRO 42 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3dbu h SER 43 N 0.00 0.00 -3.86 2.55 4.64 -1.96 -3.45 113.55 111.47 3dbu h SER 43 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 3dbu h SER 43 Cb 0.15 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.28 3dbu h SER 43 CO 0.00 0.00 0.51 -0.76 -0.87 0.00 0.00 176.83 175.71 3dbu s LEU 44 N -5.01 4.44 0.47 5.97 1.43 -0.16 -5.02 118.68 120.81 3dbu s LEU 44 Ca 0.07 2.35 -0.04 0.00 -1.03 0.00 0.00 54.13 55.48 3dbu s LEU 44 Cb 0.10 -3.74 -0.03 0.00 0.03 0.00 0.00 46.19 42.55 3dbu s LEU 44 CO 0.53 -0.34 0.76 -0.54 0.23 0.00 0.00 176.35 176.99 3dbu s LYS 45 N -1.74 3.41 0.64 1.70 3.01 -1.19 -4.98 119.74 120.59 3dbu s LYS 45 Ca 0.48 0.04 -0.18 0.00 -1.01 0.00 0.00 55.97 55.30 3dbu s LYS 45 Cb -0.33 -2.42 -0.01 0.00 -1.01 0.00 0.00 37.83 34.06 3dbu s LYS 45 CO 0.42 -0.23 1.25 -2.14 0.51 0.00 0.00 175.35 175.17 3dbu s PRO 46 N -4.70 2.66 0.44 -1.68 0.02 -1.26 -3.01 135.00 127.47 3dbu s PRO 46 Ca 0.47 1.94 -0.24 0.00 0.02 0.00 0.00 61.00 63.20 3dbu s PRO 46 Cb -0.10 -1.87 -0.08 0.00 0.02 0.00 0.00 34.50 32.47 3dbu s PRO 46 CO 0.43 -1.48 1.15 -0.51 -0.33 0.00 0.00 177.00 176.26 3dbu s LEU 47 N -4.34 4.07 -0.31 -5.54 1.43 -1.26 -1.41 118.68 111.31 3dbu s LEU 47 Ca 0.80 2.28 0.01 0.00 -1.03 0.00 0.00 54.13 56.19 3dbu s LEU 47 Cb -0.34 -4.18 0.08 0.00 0.03 0.00 0.00 46.19 41.77 3dbu s LEU 47 CO 0.38 -0.80 0.01 -0.55 0.23 0.00 0.00 176.35 175.61 3dbu s SER 48 N -1.34 4.76 -0.37 2.29 0.15 0.35 -4.85 113.70 114.70 3dbu s SER 48 Ca 0.61 -1.67 -0.13 0.00 0.70 0.00 0.00 55.95 55.46 3dbu s SER 48 Cb -0.28 -1.65 -0.00 0.00 -1.71 0.00 0.00 66.02 62.38 3dbu s SER 48 CO 0.35 -0.31 0.26 -0.69 1.20 0.00 0.00 173.24 174.04 3dbu s VAL 49 N 1.09 5.21 -0.52 4.45 1.01 -1.26 -1.29 120.40 129.10 3dbu s VAL 49 Ca -0.00 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.58 3dbu s VAL 49 Cb -0.20 -3.77 0.13 0.00 0.00 0.00 0.00 36.38 32.54 3dbu s VAL 49 CO -0.05 -0.12 0.28 -0.44 0.00 0.00 0.00 175.10 174.77 3dbu s SER 50 N 1.69 4.72 -0.03 3.32 0.01 -0.27 -4.88 113.70 118.26 3dbu s SER 50 Ca 0.05 -2.77 0.09 0.00 1.31 0.00 0.00 55.95 54.63 3dbu s SER 50 Cb -0.18 -1.71 0.25 0.00 0.21 0.00 0.00 66.02 64.58 3dbu s SER 50 CO 0.10 -0.32 1.20 -1.22 0.41 0.00 0.00 173.24 173.41 3dbu n TYR 51 N 3.49 0.36 0.23 2.43 4.01 -1.26 -1.24 117.16 125.18 3dbu n TYR 51 Ca 0.05 -0.58 0.09 0.00 -0.16 0.00 0.00 57.90 57.31 3dbu n TYR 51 Cb 0.36 -0.08 0.55 0.00 -0.31 0.00 0.00 39.34 39.86 3dbu n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 3dbu h ASP 52 N 1.30 0.00 -0.50 7.72 3.04 -1.90 -2.51 116.42 123.57 3dbu h ASP 52 Ca 0.00 0.00 -0.10 0.00 -3.24 0.00 0.00 57.03 53.69 3dbu h ASP 52 Cb 0.77 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 39.00 3dbu h ASP 52 CO 0.03 0.22 0.09 0.00 -2.04 0.00 0.00 179.24 177.54 3dbu n GLN 53 N -3.66 3.46 -1.76 4.15 1.13 -1.24 -5.02 117.38 114.43 3dbu n GLN 53 Ca -0.01 -3.04 -0.40 0.00 -1.94 0.00 0.00 57.00 51.61 3dbu n GLN 53 Cb 0.34 -2.06 0.02 0.00 0.11 0.00 0.00 30.24 28.66 3dbu n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3dbu n ALA 54 N -0.25 2.01 -3.88 -1.58 0.00 -0.95 -4.56 120.51 111.31 3dbu n ALA 54 Ca 0.31 0.25 -0.30 0.00 0.00 0.00 0.00 53.44 53.70 3dbu n ALA 54 Cb 1.14 -2.39 -0.15 0.00 0.00 0.00 0.00 19.45 18.06 3dbu n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3dbu s THR 55 N -1.19 1.50 0.48 0.00 2.01 -1.26 -4.95 115.64 112.24 3dbu s THR 55 Ca 0.61 -1.68 -0.19 0.00 0.31 0.00 0.00 61.69 60.73 3dbu s THR 55 Cb -0.45 -2.04 -0.09 0.00 0.01 0.00 0.00 72.50 69.93 3dbu s THR 55 CO 0.58 -0.52 1.01 -0.94 -0.69 0.00 0.00 174.62 174.05 3dbu s SER 56 N 1.32 6.50 -0.03 3.53 1.04 -1.26 -0.80 113.70 124.01 3dbu s SER 56 Ca 0.07 1.79 -0.02 0.00 0.48 0.00 0.00 55.95 58.27 3dbu s SER 56 Cb -0.18 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.38 3dbu s SER 56 CO -0.15 -0.67 -0.05 0.18 0.98 0.00 0.00 173.24 173.53 3dbu n LEU 57 N -1.07 0.41 -3.50 2.42 4.77 0.64 -4.15 117.00 116.52 3dbu n LEU 57 Ca 0.08 0.06 -0.11 0.00 -0.03 0.00 0.00 56.01 56.02 3dbu n LEU 57 Cb 0.53 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.45 3dbu n LEU 57 CO 0.41 -0.03 0.45 0.00 -1.33 0.00 0.00 177.39 176.89 3dbu s ARG 58 N -2.08 1.30 -0.01 3.23 1.70 -1.23 -1.21 118.95 120.65 3dbu s ARG 58 Ca -0.05 -0.53 0.07 0.00 -0.47 0.00 0.00 55.73 54.75 3dbu s ARG 58 Cb 0.02 0.57 -0.02 0.00 -0.57 0.00 0.00 34.95 34.94 3dbu s ARG 58 CO 0.07 -0.58 -0.23 -1.50 -1.08 0.00 0.00 175.30 171.98 3dbu s ILE 59 N -3.70 2.30 -0.01 4.99 2.07 0.10 -0.96 121.20 125.99 3dbu s ILE 59 Ca 0.03 -1.09 0.01 0.00 -1.41 0.00 0.00 60.65 58.19 3dbu s ILE 59 Cb -0.02 -1.84 0.00 0.00 0.13 0.00 0.00 42.46 40.74 3dbu s ILE 59 CO -0.09 0.54 -0.02 -0.22 -1.91 0.00 0.00 174.94 173.24 3dbu s LEU 60 N -0.78 1.88 -0.40 8.50 2.96 0.22 -0.95 118.68 130.11 3dbu s LEU 60 Ca 0.11 -0.03 -0.23 0.00 -0.22 0.00 0.00 54.13 53.75 3dbu s LEU 60 Cb -0.10 -0.11 0.02 0.00 0.50 0.00 0.00 46.19 46.50 3dbu s LEU 60 CO 0.00 0.00 0.80 0.21 -1.32 0.00 0.00 176.35 176.05 3dbu s ASN 61 N 0.11 6.50 0.00 3.68 3.84 -0.52 -0.70 114.94 127.85 3dbu s ASN 61 Ca -0.01 0.18 0.23 0.00 0.21 0.00 0.00 52.86 53.47 3dbu s ASN 61 Cb -0.03 -2.40 0.49 0.00 -0.55 0.00 0.00 41.25 38.76 3dbu s ASN 61 CO -0.00 -0.83 1.44 -0.46 -2.79 0.00 0.00 177.10 174.45 3dbu n ASN 62 N 6.60 3.42 0.00 -4.21 0.23 -0.57 -0.18 115.26 120.55 3dbu n ASN 62 Ca 0.03 -1.98 0.00 0.00 -0.53 0.00 0.00 54.58 52.10 3dbu n ASN 62 Cb 0.48 -0.28 0.00 0.00 -2.08 0.00 0.00 39.78 37.90 3dbu n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3dbu n GLY 63 N 1.51 0.79 0.00 4.83 0.00 -1.26 -4.77 105.19 106.30 3dbu n GLY 63 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3dbu n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3dbu n HIS 64 N -2.00 0.00 -3.90 1.61 8.25 -1.26 -4.70 115.22 113.23 3dbu n HIS 64 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3dbu n HIS 64 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 3dbu n HIS 64 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3dbu s SER 65 N -0.67 -0.01 0.11 0.41 1.04 -1.26 -4.87 113.70 108.45 3dbu s SER 65 Ca 0.00 -0.41 0.07 0.00 0.48 0.00 0.00 55.95 56.09 3dbu s SER 65 Cb 0.00 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 3dbu s SER 65 CO 0.00 -0.63 -0.10 0.72 0.98 0.00 0.00 173.24 174.21 3dbu s PHE 66 N -2.18 2.73 0.02 5.02 -0.71 -1.26 -1.51 117.98 120.10 3dbu s PHE 66 Ca 0.24 -0.16 0.03 0.00 -1.04 0.00 0.00 56.93 55.99 3dbu s PHE 66 Cb -0.01 -1.42 -0.01 0.00 -1.21 0.00 0.00 43.02 40.36 3dbu s PHE 66 CO 0.02 0.43 -0.08 1.14 -1.34 0.00 0.00 175.22 175.39 3dbu s GLN 67 N -2.24 0.59 -0.20 1.99 -2.07 0.12 -3.88 119.66 113.98 3dbu s GLN 67 Ca 0.22 -0.49 -0.08 0.00 -1.82 0.00 0.00 55.36 53.18 3dbu s GLN 67 Cb -0.11 -0.51 -0.04 0.00 -1.09 0.00 0.00 33.01 31.25 3dbu s GLN 67 CO 0.14 0.13 0.09 0.08 -1.32 0.00 0.00 175.29 174.40 3dbu s VAL 68 N -0.67 4.96 0.02 3.63 1.01 0.01 -0.61 120.40 128.76 3dbu s VAL 68 Ca -0.02 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.01 3dbu s VAL 68 Cb -0.06 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 3dbu s VAL 68 CO 0.00 0.44 0.02 -1.61 0.00 0.00 0.00 175.10 173.95 3dbu s GLU 69 N 0.50 2.79 0.22 2.72 2.02 -0.14 -1.54 118.70 125.27 3dbu s GLU 69 Ca 0.05 -0.64 0.11 0.00 0.02 0.00 0.00 54.97 54.51 3dbu s GLU 69 Cb -0.12 -2.68 -0.05 0.00 0.10 0.00 0.00 34.13 31.39 3dbu s GLU 69 CO 0.00 0.61 -0.21 -0.06 0.02 0.00 0.00 175.26 175.62 3dbu s PHE 70 N -1.17 2.34 -0.16 1.61 0.40 -0.11 -0.26 117.98 120.63 3dbu s PHE 70 Ca 0.22 -0.33 -0.29 0.00 -0.60 0.00 0.00 56.93 55.92 3dbu s PHE 70 Cb -0.12 -1.12 -0.02 0.00 0.51 0.00 0.00 43.02 42.27 3dbu s PHE 70 CO 0.13 0.56 1.39 0.34 0.70 0.00 0.00 175.22 178.34 3dbu s ASP 71 N -2.93 6.79 -0.21 1.36 2.15 0.02 -4.83 116.67 119.03 3dbu s ASP 71 Ca 0.24 1.74 0.12 0.00 0.43 0.00 0.00 52.55 55.08 3dbu s ASP 71 Cb -0.07 -2.54 0.41 0.00 -0.30 0.00 0.00 42.92 40.43 3dbu s ASP 71 CO 0.12 -0.89 1.25 -0.90 -0.17 0.00 0.00 175.17 174.58 3dbu n ASP 72 N 7.05 2.03 0.07 -0.34 5.75 -1.26 -4.66 116.55 125.18 3dbu n ASP 72 Ca 0.15 -3.71 0.11 0.00 -0.01 0.00 0.00 54.79 51.33 3dbu n ASP 72 Cb 0.45 -0.53 0.44 0.00 -1.03 0.00 0.00 41.12 40.44 3dbu n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3dbu n SER 73 N -1.16 0.38 -3.87 -1.12 3.41 -1.26 -4.83 113.62 105.17 3dbu n SER 73 Ca 0.21 0.58 -0.10 0.00 -0.26 0.00 0.00 58.87 59.30 3dbu n SER 73 Cb 0.75 -0.66 -0.06 0.00 -0.26 0.00 0.00 64.21 63.98 3dbu n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3dbu s GLN 74 N -3.14 1.25 -0.84 4.33 -0.21 -1.26 -5.06 119.66 114.73 3dbu s GLN 74 Ca 0.07 -1.04 -0.23 0.00 0.02 0.00 0.00 55.36 54.18 3dbu s GLN 74 Cb 0.11 0.44 -0.15 0.00 1.00 0.00 0.00 33.01 34.41 3dbu s GLN 74 CO 0.40 -0.49 1.91 -0.25 -2.12 0.00 0.00 175.29 174.74 3dbu n ASP 75 N -0.26 2.58 -0.11 5.90 8.00 -1.26 -4.61 116.55 126.79 3dbu n ASP 75 Ca -0.08 -2.68 -0.23 0.00 0.71 0.00 0.00 54.79 52.51 3dbu n ASP 75 Cb 0.63 -1.24 -0.11 0.00 -0.02 0.00 0.00 41.12 40.38 3dbu n ASP 75 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3dbu n LYS 76 N 7.37 0.56 -3.97 -1.24 5.02 -1.26 -4.87 118.16 119.77 3dbu n LYS 76 Ca 0.48 0.50 -0.31 0.00 -2.02 0.00 0.00 58.31 56.97 3dbu n LYS 76 Cb 0.42 -1.68 -0.15 0.00 -0.02 0.00 0.00 35.03 33.59 3dbu n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dbu s ALA 77 N -2.42 2.15 0.11 7.82 0.00 -1.26 -3.72 121.76 124.43 3dbu s ALA 77 Ca -0.30 -1.54 0.01 0.00 0.00 0.00 0.00 51.96 50.13 3dbu s ALA 77 Cb 0.08 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.65 3dbu s ALA 77 CO 0.55 -1.24 -0.03 0.14 0.00 0.00 0.00 175.76 175.17 3dbu s VAL 78 N 1.30 0.54 -0.06 0.00 -7.23 -0.37 -1.30 120.40 113.27 3dbu s VAL 78 Ca -0.05 -1.92 0.05 0.00 -1.81 0.00 0.00 61.98 58.26 3dbu s VAL 78 Cb -0.19 -1.78 -0.01 0.00 0.56 0.00 0.00 36.38 34.97 3dbu s VAL 78 CO -0.07 -0.78 -0.23 -0.22 -0.31 0.00 0.00 175.10 173.49 3dbu s LEU 79 N -3.05 2.04 0.00 1.32 2.96 0.29 -1.11 118.68 121.13 3dbu s LEU 79 Ca 0.15 -0.49 -0.00 0.00 -0.22 0.00 0.00 54.13 53.57 3dbu s LEU 79 Cb 0.06 -1.30 0.00 0.00 0.50 0.00 0.00 46.19 45.46 3dbu s LEU 79 CO -0.03 0.21 0.26 2.29 -1.32 0.00 0.00 176.35 177.76 3dbu n LYS 80 N 3.07 0.37 0.00 1.98 2.85 -0.41 -1.69 118.16 124.34 3dbu n LYS 80 Ca -0.18 -1.64 0.00 0.00 -1.05 0.00 0.00 58.31 55.44 3dbu n LYS 80 Cb 0.52 1.53 0.00 0.00 -0.65 0.00 0.00 35.03 36.44 3dbu n LYS 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3dbu n GLY 81 N -0.33 -0.72 7.00 2.58 0.00 -1.26 -0.49 105.19 111.96 3dbu n GLY 81 Ca 0.01 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.88 3dbu n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dbu n GLY 82 N 0.00 2.92 0.42 -0.02 0.00 -0.50 -1.57 105.19 106.43 3dbu n GLY 82 Ca 0.00 -0.30 0.12 0.00 0.00 0.00 0.00 46.02 45.83 3dbu n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dbu n PRO 83 N 14.00 1.56 -3.18 1.61 -0.04 -1.26 -3.17 135.00 144.51 3dbu n PRO 83 Ca 0.00 -0.83 -0.34 0.00 -0.04 0.00 0.00 63.50 62.29 3dbu n PRO 83 Cb 0.00 -1.41 -0.06 0.00 -0.04 0.00 0.00 33.50 31.99 3dbu n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3dbu s LEU 84 N -1.72 4.22 -0.25 1.53 1.43 -0.61 -5.06 118.68 118.22 3dbu s LEU 84 Ca 0.34 1.27 -0.04 0.00 -1.03 0.00 0.00 54.13 54.68 3dbu s LEU 84 Cb 0.18 -3.73 0.01 0.00 0.03 0.00 0.00 46.19 42.69 3dbu s LEU 84 CO 0.28 -0.05 -0.01 -0.62 0.23 0.00 0.00 176.35 176.18 3dbu s ASP 85 N -1.95 4.55 0.00 2.29 -1.08 -1.26 -4.42 116.67 114.79 3dbu s ASP 85 Ca 0.47 -0.69 0.00 0.00 -0.52 0.00 0.00 52.55 51.80 3dbu s ASP 85 Cb -0.14 -1.75 0.00 0.00 -1.46 0.00 0.00 42.92 39.58 3dbu s ASP 85 CO 0.19 -0.12 0.00 0.61 0.52 0.00 0.00 175.17 176.38 3dbu n GLY 86 N 4.76 -1.70 3.44 2.66 0.00 -1.26 -4.97 105.19 108.12 3dbu n GLY 86 Ca -0.16 -2.16 -0.34 0.00 0.00 0.00 0.00 46.02 43.35 3dbu n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dbu s THR 87 N -0.42 3.68 -0.15 2.61 2.01 -1.26 -4.58 115.64 117.53 3dbu s THR 87 Ca 0.00 -0.42 -0.01 0.00 0.31 0.00 0.00 61.69 61.57 3dbu s THR 87 Cb 0.00 -2.62 -0.01 0.00 0.01 0.00 0.00 72.50 69.88 3dbu s THR 87 CO 0.00 0.48 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.98 3dbu s TYR 88 N 0.62 2.84 -0.10 4.92 1.51 -0.68 -1.66 117.35 124.80 3dbu s TYR 88 Ca -0.03 -0.76 -0.15 0.00 -1.01 0.00 0.00 57.07 55.12 3dbu s TYR 88 Cb -0.15 -1.89 -0.05 0.00 -0.11 0.00 0.00 41.96 39.76 3dbu s TYR 88 CO 0.02 -0.31 0.37 1.03 -1.11 0.00 0.00 175.55 175.56 3dbu s ARG 89 N 0.60 4.13 0.13 -0.62 0.52 0.43 -0.55 118.95 123.60 3dbu s ARG 89 Ca -0.07 0.28 -0.31 0.00 -0.52 0.00 0.00 55.73 55.10 3dbu s ARG 89 Cb -0.15 -3.35 -0.09 0.00 0.52 0.00 0.00 34.95 31.87 3dbu s ARG 89 CO 0.03 0.38 1.49 -1.17 0.02 0.00 0.00 175.30 176.05 3dbu s LEU 90 N -0.03 4.37 -0.04 2.53 2.96 -0.42 -1.15 118.68 126.89 3dbu s LEU 90 Ca 0.21 2.46 0.02 0.00 -0.22 0.00 0.00 54.13 56.60 3dbu s LEU 90 Cb -0.15 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 3dbu s LEU 90 CO 0.08 -0.75 -0.02 0.00 -1.32 0.00 0.00 176.35 174.35 3dbu n ILE 91 N 4.05 0.26 -3.43 6.68 3.06 -0.54 -4.60 119.36 124.82 3dbu n ILE 91 Ca 0.13 -0.13 -0.12 0.00 -2.50 0.00 0.00 62.75 60.13 3dbu n ILE 91 Cb 0.40 -0.78 -0.02 0.00 0.54 0.00 0.00 39.64 39.78 3dbu n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3dbu s GLN 92 N -2.09 1.22 0.16 9.51 1.03 -1.22 -0.93 119.66 127.34 3dbu s GLN 92 Ca -0.04 -0.41 0.07 0.00 0.04 0.00 0.00 55.36 55.02 3dbu s GLN 92 Cb 0.01 0.56 -0.04 0.00 0.03 0.00 0.00 33.01 33.57 3dbu s GLN 92 CO 0.13 -0.52 -0.14 -0.59 -2.54 0.00 0.00 175.29 171.62 3dbu s PHE 93 N -3.53 1.54 0.34 9.60 -0.12 -0.59 -0.81 117.98 124.42 3dbu s PHE 93 Ca 0.01 -0.59 -0.10 0.00 -0.05 0.00 0.00 56.93 56.19 3dbu s PHE 93 Cb -0.01 -0.76 0.02 0.00 -0.63 0.00 0.00 43.02 41.64 3dbu s PHE 93 CO -0.11 0.24 0.62 -3.38 -0.05 0.00 0.00 175.22 172.53 3dbu s HIS 94 N -2.68 0.51 0.16 3.49 -3.43 -0.67 -0.81 115.29 111.86 3dbu s HIS 94 Ca 0.16 -0.95 0.06 0.00 -0.80 0.00 0.00 55.06 53.54 3dbu s HIS 94 Cb -0.02 0.37 -0.04 0.00 -1.43 0.00 0.00 32.58 31.46 3dbu s HIS 94 CO 0.04 -1.29 -0.13 -0.06 -2.00 0.00 0.00 174.74 171.30 3dbu s PHE 95 N -2.96 1.48 -0.01 0.38 0.40 -1.25 -1.12 117.98 114.89 3dbu s PHE 95 Ca 0.22 -0.63 0.07 0.00 -0.60 0.00 0.00 56.93 55.99 3dbu s PHE 95 Cb -0.03 -0.73 -0.02 0.00 0.51 0.00 0.00 43.02 42.76 3dbu s PHE 95 CO 0.14 0.21 -0.24 -1.01 0.70 0.00 0.00 175.22 175.02 3dbu s HIS 96 N -2.85 2.11 0.29 0.36 3.76 -0.04 -4.68 115.29 114.24 3dbu s HIS 96 Ca 0.17 -0.40 -0.10 0.00 -0.15 0.00 0.00 55.06 54.58 3dbu s HIS 96 Cb -0.01 -1.35 0.00 0.00 1.11 0.00 0.00 32.58 32.33 3dbu s HIS 96 CO 0.04 -0.03 0.51 1.67 -0.85 0.00 0.00 174.74 176.07 3dbu s TRP 97 N -0.56 0.56 0.52 1.40 -2.14 -1.22 -1.07 118.94 116.42 3dbu s TRP 97 Ca 0.09 -0.91 0.05 0.00 2.66 0.00 0.00 56.10 57.99 3dbu s TRP 97 Cb -0.09 0.17 0.02 0.00 -3.10 0.00 0.00 33.47 30.47 3dbu s TRP 97 CO -0.01 -1.09 0.33 0.20 -2.66 0.00 0.00 176.95 173.72 3dbu s GLY 98 N -3.09 2.46 0.21 3.67 0.00 -1.19 -1.27 107.32 108.11 3dbu s GLY 98 Ca 0.24 -1.22 0.24 0.00 0.00 0.00 0.00 44.72 43.98 3dbu s GLY 98 CO 0.13 -1.97 1.33 1.48 0.00 0.00 0.00 173.10 174.07 3dbu h SER 99 N 0.90 0.00 -4.17 1.64 4.64 -1.90 -3.39 113.55 111.28 3dbu h SER 99 Ca -0.38 -0.08 -0.36 0.00 -0.47 0.00 0.00 61.79 60.50 3dbu h SER 99 Cb 1.30 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.22 3dbu h SER 99 CO 0.61 0.04 -0.74 -0.76 -0.87 0.00 0.00 176.83 175.11 3dbu s LEU 100 N -4.99 2.43 0.48 5.97 1.43 -1.26 -5.05 118.68 117.69 3dbu s LEU 100 Ca 0.05 -0.85 0.32 0.00 -1.03 0.00 0.00 54.13 52.62 3dbu s LEU 100 Cb 0.10 -0.40 1.47 0.00 0.03 0.00 0.00 46.19 47.39 3dbu s LEU 100 CO 0.72 -0.23 1.96 0.44 0.23 0.00 0.00 176.35 179.47 3dbu h ASP 101 N 3.40 0.00 -0.32 2.29 3.32 -1.93 -2.51 116.42 120.66 3dbu h ASP 101 Ca -0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.67 3dbu h ASP 101 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3dbu h ASP 101 CO 0.54 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.67 3dbu n GLY 102 N -0.34 0.51 3.45 2.75 0.00 -1.26 -3.66 105.19 106.64 3dbu n GLY 102 Ca 0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 3dbu n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dbu s GLN 103 N -1.57 1.29 0.00 1.61 -2.07 -0.95 -4.69 119.66 113.28 3dbu s GLN 103 Ca 0.22 -0.93 0.00 0.00 -1.82 0.00 0.00 55.36 52.83 3dbu s GLN 103 Cb 0.11 0.48 0.00 0.00 -1.09 0.00 0.00 33.01 32.51 3dbu s GLN 103 CO 0.15 -0.53 0.00 0.41 -1.32 0.00 0.00 175.29 174.00 3dbu n GLY 104 N -0.30 1.27 3.83 2.60 0.00 -1.05 -3.17 105.19 108.38 3dbu n GLY 104 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 3dbu n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dbu s SER 105 N 0.00 5.64 -0.19 1.61 1.04 -0.51 -3.43 113.70 117.85 3dbu s SER 105 Ca 0.00 1.59 -0.15 0.00 0.48 0.00 0.00 55.95 57.87 3dbu s SER 105 Cb 0.00 -2.49 -0.09 0.00 0.10 0.00 0.00 66.02 63.53 3dbu s SER 105 CO 0.00 -1.27 -0.16 -0.62 0.98 0.00 0.00 173.24 172.17 3dbu n GLU 106 N -2.91 0.52 -1.86 4.02 1.02 -1.26 -4.85 120.64 115.32 3dbu n GLU 106 Ca 0.07 0.41 -0.33 0.00 -0.02 0.00 0.00 57.16 57.29 3dbu n GLU 106 Cb 0.54 -1.61 0.04 0.00 -0.02 0.00 0.00 31.44 30.39 3dbu n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3dbu s HIS 107 N -2.48 2.67 0.18 -0.32 3.76 -1.26 -4.47 115.29 113.37 3dbu s HIS 107 Ca -0.26 1.55 0.07 0.00 -0.15 0.00 0.00 55.06 56.27 3dbu s HIS 107 Cb 0.06 -3.17 -0.04 0.00 1.11 0.00 0.00 32.58 30.54 3dbu s HIS 107 CO 0.41 -1.61 -0.15 0.95 -0.85 0.00 0.00 174.74 173.49 3dbu s THR 108 N -2.27 1.65 -0.21 1.30 -4.23 -1.19 -4.72 115.64 105.97 3dbu s THR 108 Ca 0.67 -2.08 0.02 0.00 -1.18 0.00 0.00 61.69 59.12 3dbu s THR 108 Cb -0.20 -1.92 0.04 0.00 1.34 0.00 0.00 72.50 71.75 3dbu s THR 108 CO 0.39 -0.53 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.08 3dbu s VAL 109 N -2.72 2.08 -1.55 2.29 1.01 -0.62 0.22 120.40 121.12 3dbu s VAL 109 Ca 0.19 -1.19 -0.07 0.00 0.00 0.00 0.00 61.98 60.91 3dbu s VAL 109 Cb -0.02 -2.00 0.06 0.00 0.00 0.00 0.00 36.38 34.42 3dbu s VAL 109 CO 0.06 0.32 0.47 0.47 0.00 0.00 0.00 175.10 176.42 3dbu n ASP 110 N 4.56 -1.12 0.00 3.32 8.00 0.19 -0.70 116.55 130.79 3dbu n ASP 110 Ca -0.18 -1.07 0.00 0.00 0.71 0.00 0.00 54.79 54.25 3dbu n ASP 110 Cb 0.47 -2.65 0.00 0.00 -0.02 0.00 0.00 41.12 38.92 3dbu n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3dbu n LYS 111 N -4.41 -0.54 -2.52 -1.24 4.76 -1.26 -4.98 118.16 107.96 3dbu n LYS 111 Ca -0.17 0.14 -0.42 0.00 -2.87 0.00 0.00 58.31 54.99 3dbu n LYS 111 Cb 0.62 -4.07 -0.03 0.00 -1.84 0.00 0.00 35.03 29.70 3dbu n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3dbu s LYS 112 N -0.96 4.53 -0.11 1.97 2.20 0.12 -5.00 119.74 122.49 3dbu s LYS 112 Ca 0.00 1.68 -0.06 0.00 -0.36 0.00 0.00 55.97 57.23 3dbu s LYS 112 Cb 0.00 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.94 3dbu s LYS 112 CO 0.00 -0.06 0.11 0.15 -0.36 0.00 0.00 175.35 175.19 3dbu s LYS 113 N 0.41 3.35 0.45 4.03 1.02 -1.26 -1.59 119.74 126.14 3dbu s LYS 113 Ca 0.53 -0.19 0.08 0.00 0.02 0.00 0.00 55.97 56.42 3dbu s LYS 113 Cb -0.28 -3.11 0.01 0.00 -0.52 0.00 0.00 37.83 33.94 3dbu s LYS 113 CO 0.31 0.76 0.55 0.71 -0.92 0.00 0.00 175.35 176.77 3dbu s TYR 114 N -1.00 2.54 0.36 3.18 2.02 -1.26 -4.70 117.35 118.49 3dbu s TYR 114 Ca 0.15 -0.49 0.12 0.00 -0.37 0.00 0.00 57.07 56.48 3dbu s TYR 114 Cb -0.12 -2.29 0.67 0.00 -0.40 0.00 0.00 41.96 39.82 3dbu s TYR 114 CO 0.04 -0.46 1.80 0.00 -1.57 0.00 0.00 175.55 175.36 3dbu h ALA 115 N 0.67 1.34 -2.74 3.71 0.00 -1.40 -1.29 119.26 119.54 3dbu h ALA 115 Ca -0.39 -0.35 0.09 0.00 0.00 0.00 0.00 54.91 54.26 3dbu h ALA 115 Cb 1.28 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 3dbu h ALA 115 CO 0.48 0.49 0.37 0.00 0.00 0.00 0.00 179.25 180.58 3dbu s ALA 116 N -4.18 -1.28 -0.06 0.00 0.00 -1.15 -3.15 121.76 111.94 3dbu s ALA 116 Ca -0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 51.96 51.61 3dbu s ALA 116 Cb 0.14 0.73 0.04 0.00 0.00 0.00 0.00 23.12 24.03 3dbu s ALA 116 CO 0.73 -1.03 0.13 -2.00 0.00 0.00 0.00 175.76 173.59 3dbu s GLU 117 N -3.09 0.07 -0.16 0.00 2.12 -0.23 -1.47 118.70 115.94 3dbu s GLU 117 Ca 0.14 0.35 -0.13 0.00 0.36 0.00 0.00 54.97 55.69 3dbu s GLU 117 Cb -0.04 -0.19 -0.05 0.00 0.26 0.00 0.00 34.13 34.11 3dbu s GLU 117 CO 0.06 -0.17 0.25 -1.17 -0.54 0.00 0.00 175.26 173.70 3dbu s LEU 118 N 1.17 4.25 -0.19 2.70 2.96 0.37 -0.86 118.68 129.08 3dbu s LEU 118 Ca -0.09 0.46 0.00 0.00 -0.22 0.00 0.00 54.13 54.28 3dbu s LEU 118 Cb -0.12 -2.30 0.02 0.00 0.50 0.00 0.00 46.19 44.28 3dbu s LEU 118 CO -0.06 0.14 -0.17 -1.00 -1.32 0.00 0.00 176.35 173.95 3dbu s HIS 119 N 0.31 2.82 -0.34 5.38 3.76 -0.28 -0.73 115.29 126.22 3dbu s HIS 119 Ca 0.15 -1.54 -0.11 0.00 -0.15 0.00 0.00 55.06 53.41 3dbu s HIS 119 Cb -0.13 -1.95 0.00 0.00 1.11 0.00 0.00 32.58 31.61 3dbu s HIS 119 CO 0.03 -0.77 0.19 -0.51 -0.85 0.00 0.00 174.74 172.84 3dbu s LEU 120 N 1.32 4.43 -0.17 0.89 1.02 0.01 -1.67 118.68 124.50 3dbu s LEU 120 Ca 0.05 -0.67 -0.14 0.00 0.02 0.00 0.00 54.13 53.39 3dbu s LEU 120 Cb -0.13 -2.04 -0.05 0.00 0.02 0.00 0.00 46.19 43.99 3dbu s LEU 120 CO -0.11 -0.28 0.29 -0.69 0.02 0.00 0.00 176.35 175.59 3dbu s VAL 121 N 1.62 5.30 0.07 -1.59 1.01 0.01 -1.07 120.40 125.75 3dbu s VAL 121 Ca 0.04 0.54 0.05 0.00 0.00 0.00 0.00 61.98 62.61 3dbu s VAL 121 Cb -0.18 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 3dbu s VAL 121 CO 0.07 0.37 -0.13 -1.00 0.00 0.00 0.00 175.10 174.42 3dbu s HIS 122 N 0.58 1.14 0.08 5.22 3.76 -0.10 -1.47 115.29 124.51 3dbu s HIS 122 Ca 0.16 -0.49 0.07 0.00 -0.15 0.00 0.00 55.06 54.65 3dbu s HIS 122 Cb -0.13 -0.64 -0.03 0.00 1.11 0.00 0.00 32.58 32.89 3dbu s HIS 122 CO 0.04 0.04 -0.19 1.67 -0.85 0.00 0.00 174.74 175.45 3dbu s TRP 123 N -1.47 1.60 -0.32 1.40 1.48 -0.30 -0.73 118.94 120.60 3dbu s TRP 123 Ca -0.02 -0.42 -0.29 0.00 -1.06 0.00 0.00 56.10 54.32 3dbu s TRP 123 Cb -0.09 -0.90 0.00 0.00 -1.16 0.00 0.00 33.47 31.33 3dbu s TRP 123 CO 0.02 0.14 1.30 1.21 -4.06 0.00 0.00 176.95 175.56 3dbu s ASN 124 N -1.72 6.64 0.00 -2.66 3.84 0.12 -0.43 114.94 120.73 3dbu s ASN 124 Ca 0.04 1.13 0.16 0.00 0.21 0.00 0.00 52.86 54.40 3dbu s ASN 124 Cb -0.10 -2.54 0.74 0.00 -0.55 0.00 0.00 41.25 38.80 3dbu s ASN 124 CO 0.03 -1.12 1.48 0.35 -2.79 0.00 0.00 177.10 175.05 3dbu n THR 125 N 6.33 0.73 0.39 -5.21 -2.24 -0.66 -1.85 114.28 111.77 3dbu n THR 125 Ca 0.15 0.18 0.11 0.00 -2.27 0.00 0.00 64.05 62.22 3dbu n THR 125 Cb 0.47 -0.91 0.47 0.00 -2.10 0.00 0.00 70.33 68.25 3dbu n THR 125 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3dbu n LYS 127 N -1.39 0.17 -0.10 -0.78 2.85 -1.26 -2.28 118.16 115.36 3dbu n LYS 127 Ca 0.06 0.41 0.12 0.00 -1.05 0.00 0.00 58.31 57.85 3dbu n LYS 127 Cb 0.16 -1.83 0.27 0.00 -0.65 0.00 0.00 35.03 32.98 3dbu n LYS 127 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3dbu n TYR 128 N -2.14 0.27 0.00 5.58 4.01 -0.77 -4.98 117.16 119.13 3dbu n TYR 128 Ca 0.02 -0.13 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 3dbu n TYR 128 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 3dbu n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dbu n GLY 129 N 1.33 1.50 3.29 2.72 0.00 -0.96 -4.53 105.19 108.55 3dbu n GLY 129 Ca 0.17 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 3dbu n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3dbu s ASP 130 N 0.00 0.12 0.16 1.61 1.47 -1.26 -5.06 116.67 113.70 3dbu s ASP 130 Ca 0.00 -1.07 -0.13 0.00 1.18 0.00 0.00 52.55 52.53 3dbu s ASP 130 Cb 0.00 0.41 0.04 0.00 -0.34 0.00 0.00 42.92 43.03 3dbu s ASP 130 CO 0.00 -0.87 1.70 0.15 0.68 0.00 0.00 175.17 176.83 3dbu h PHE 131 N 2.61 0.81 -0.42 2.11 3.57 -1.94 -1.30 116.94 122.38 3dbu h PHE 131 Ca -0.33 -0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.13 3dbu h PHE 131 Cb 1.23 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.71 3dbu h PHE 131 CO 0.40 0.68 0.28 0.78 -2.23 0.00 0.00 178.31 178.22 3dbu h GLY 132 N 0.70 0.52 1.02 2.40 0.00 -1.97 -1.38 103.07 104.35 3dbu h GLY 132 Ca 0.17 -0.18 -0.23 0.00 0.00 0.00 0.00 47.33 47.09 3dbu h GLY 132 CO -0.01 0.16 -0.90 0.50 0.00 0.00 0.00 176.54 176.29 3dbu h LYS 133 N 0.46 0.55 -0.90 4.80 1.79 -1.73 -3.31 116.57 118.24 3dbu h LYS 133 Ca 0.17 -0.64 0.10 0.00 -2.18 0.00 0.00 60.65 58.10 3dbu h LYS 133 Cb 0.09 0.19 -0.08 0.00 -1.58 0.00 0.00 32.23 30.86 3dbu h LYS 133 CO -0.04 1.25 0.53 0.00 -1.08 0.00 0.00 179.45 180.11 3dbu h ALA 134 N 0.33 1.31 0.00 3.86 0.00 -0.58 -1.79 119.26 122.38 3dbu h ALA 134 Ca -0.12 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3dbu h ALA 134 Cb 1.59 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3dbu h ALA 134 CO 0.18 0.15 0.00 1.33 0.00 0.00 0.00 179.25 180.90 3dbu n VAL 135 N -4.70 0.81 0.30 0.00 0.24 -0.58 -1.35 118.33 113.06 3dbu n VAL 135 Ca 0.16 0.20 0.10 0.00 -2.04 0.00 0.00 64.34 62.76 3dbu n VAL 135 Cb 0.31 -0.95 0.26 0.00 -1.47 0.00 0.00 33.84 32.00 3dbu n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dbu n GLN 136 N -1.42 2.32 -4.51 7.34 1.13 -0.67 -4.71 117.38 116.85 3dbu n GLN 136 Ca 0.05 -2.03 -0.30 0.00 -1.94 0.00 0.00 57.00 52.78 3dbu n GLN 136 Cb 0.16 -1.46 -0.13 0.00 0.11 0.00 0.00 30.24 28.92 3dbu n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3dbu s GLN 137 N -1.34 1.79 0.57 -1.09 -1.52 -0.45 -5.02 119.66 112.60 3dbu s GLN 137 Ca 0.38 -1.15 0.35 0.00 -1.95 0.00 0.00 55.36 53.00 3dbu s GLN 137 Cb 0.21 -2.07 1.66 0.00 -0.22 0.00 0.00 33.01 32.58 3dbu s GLN 137 CO 0.28 0.50 2.10 -1.00 -0.25 0.00 0.00 175.29 176.91 3dbu h PRO 138 N 4.15 0.00 -0.27 2.91 0.13 -1.86 -1.85 132.00 135.21 3dbu h PRO 138 Ca -0.49 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.47 3dbu h PRO 138 Cb 1.16 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.18 3dbu h PRO 138 CO 0.45 0.03 -0.34 -0.40 -0.23 0.00 0.00 178.00 177.50 3dbu n ASP 139 N -3.18 2.61 0.09 1.44 5.75 -1.26 -4.21 116.55 117.80 3dbu n ASP 139 Ca -0.01 -3.84 -0.13 0.00 -0.01 0.00 0.00 54.79 50.80 3dbu n ASP 139 Cb 0.24 -0.56 -0.13 0.00 -1.03 0.00 0.00 41.12 39.63 3dbu n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3dbu h GLY 140 N 1.19 0.22 -3.74 6.12 0.00 -1.21 -3.43 103.07 102.22 3dbu h GLY 140 Ca 0.16 -0.57 -0.67 0.00 0.00 0.00 0.00 47.33 46.25 3dbu h GLY 140 CO 0.31 0.50 -0.86 1.08 0.00 0.00 0.00 176.54 177.57 3dbu s LEU 141 N -7.01 2.35 -0.07 3.11 1.43 -0.07 -0.70 118.68 117.72 3dbu s LEU 141 Ca -0.03 -0.78 0.01 0.00 -1.03 0.00 0.00 54.13 52.31 3dbu s LEU 141 Cb 0.08 -1.19 0.02 0.00 0.03 0.00 0.00 46.19 45.13 3dbu s LEU 141 CO 0.86 0.16 -0.09 0.00 0.23 0.00 0.00 176.35 177.51 3dbu s ALA 142 N -1.22 1.14 -0.15 4.21 0.00 0.09 -0.82 121.76 125.01 3dbu s ALA 142 Ca 0.15 -0.37 0.02 0.00 0.00 0.00 0.00 51.96 51.76 3dbu s ALA 142 Cb -0.09 -0.63 0.01 0.00 0.00 0.00 0.00 23.12 22.40 3dbu s ALA 142 CO 0.07 -0.06 -0.19 0.08 0.00 0.00 0.00 175.76 175.66 3dbu s VAL 143 N 1.00 2.30 -0.23 0.00 1.01 -0.95 -0.92 120.40 122.62 3dbu s VAL 143 Ca -0.09 -0.90 -0.22 0.00 0.00 0.00 0.00 61.98 60.78 3dbu s VAL 143 Cb -0.15 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 3dbu s VAL 143 CO -0.00 0.54 0.68 -0.22 0.00 0.00 0.00 175.10 176.10 3dbu s LEU 144 N 0.82 4.10 -0.18 3.92 2.96 -0.23 -1.72 118.68 128.34 3dbu s LEU 144 Ca -0.06 0.84 -0.06 0.00 -0.22 0.00 0.00 54.13 54.63 3dbu s LEU 144 Cb -0.15 -2.95 -0.03 0.00 0.50 0.00 0.00 46.19 43.55 3dbu s LEU 144 CO -0.01 -0.37 0.02 -0.83 -1.32 0.00 0.00 176.35 173.84 3dbu s GLY 145 N 1.35 1.81 -0.09 7.98 0.00 -0.03 -0.81 107.32 117.52 3dbu s GLY 145 Ca 0.29 -0.83 0.01 0.00 0.00 0.00 0.00 44.72 44.19 3dbu s GLY 145 CO 0.09 0.08 -0.12 -0.42 0.00 0.00 0.00 173.10 172.73 3dbu s ILE 146 N 0.55 1.20 0.33 0.90 1.01 0.10 -1.24 121.20 124.04 3dbu s ILE 146 Ca 0.01 -0.47 -0.27 0.00 0.00 0.00 0.00 60.65 59.92 3dbu s ILE 146 Cb -0.13 -1.13 -0.09 0.00 0.01 0.00 0.00 42.46 41.11 3dbu s ILE 146 CO 0.02 0.38 1.01 -0.36 0.00 0.00 0.00 174.94 175.99 3dbu s PHE 147 N 1.03 3.57 -0.16 3.97 0.08 -1.26 -0.48 117.98 124.73 3dbu s PHE 147 Ca -0.07 1.74 -0.02 0.00 0.12 0.00 0.00 56.93 58.69 3dbu s PHE 147 Cb -0.15 -3.08 -0.02 0.00 -0.57 0.00 0.00 43.02 39.21 3dbu s PHE 147 CO -0.01 -0.20 -0.08 -0.51 -0.10 0.00 0.00 175.22 174.32 3dbu s LEU 148 N -1.99 2.94 0.21 -0.37 1.02 -0.54 -0.38 118.68 119.57 3dbu s LEU 148 Ca 0.50 -0.27 0.10 0.00 0.02 0.00 0.00 54.13 54.48 3dbu s LEU 148 Cb -0.24 -1.70 -0.04 0.00 0.02 0.00 0.00 46.19 44.23 3dbu s LEU 148 CO 0.30 0.12 -0.16 -1.59 0.02 0.00 0.00 176.35 175.04 3dbu s LYS 149 N 0.62 1.80 -0.10 1.70 -2.85 -0.29 -1.70 119.74 118.93 3dbu s LYS 149 Ca -0.05 -1.46 -0.26 0.00 -1.00 0.00 0.00 55.97 53.21 3dbu s LYS 149 Cb -0.15 -1.98 -0.02 0.00 -2.06 0.00 0.00 37.83 33.62 3dbu s LYS 149 CO 0.03 0.40 0.82 0.08 0.10 0.00 0.00 175.35 176.78 3dbu s VAL 150 N -1.85 4.93 0.00 1.79 1.01 -1.26 -0.82 120.40 124.19 3dbu s VAL 150 Ca 0.24 1.66 0.00 0.00 0.00 0.00 0.00 61.98 63.88 3dbu s VAL 150 Cb -0.08 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.16 3dbu s VAL 150 CO 0.13 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.96 3dbu n GLY 151 N 3.24 1.01 3.78 4.51 0.00 0.27 -4.89 105.19 113.11 3dbu n GLY 151 Ca 0.03 0.38 -0.30 0.00 0.00 0.00 0.00 46.02 46.13 3dbu n GLY 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dbu s SER 152 N 2.00 4.17 0.51 1.61 1.04 -1.26 -4.06 113.70 117.70 3dbu s SER 152 Ca 0.00 1.37 -0.20 0.00 0.48 0.00 0.00 55.95 57.60 3dbu s SER 152 Cb 0.00 -2.09 -0.08 0.00 0.10 0.00 0.00 66.02 63.96 3dbu s SER 152 CO 0.00 -2.19 1.07 0.00 0.98 0.00 0.00 173.24 173.10 3dbu s ALA 153 N -3.08 2.81 -0.37 5.32 0.00 -1.26 -2.09 121.76 123.09 3dbu s ALA 153 Ca 0.62 0.68 -0.09 0.00 0.00 0.00 0.00 51.96 53.16 3dbu s ALA 153 Cb -0.16 -3.29 0.04 0.00 0.00 0.00 0.00 23.12 19.72 3dbu s ALA 153 CO 0.55 -0.47 0.19 0.21 0.00 0.00 0.00 175.76 176.24 3dbu s LYS 154 N -3.26 2.69 0.22 0.00 2.47 -1.24 -4.80 119.74 115.83 3dbu s LYS 154 Ca 0.69 -1.21 -0.07 0.00 -1.56 0.00 0.00 55.97 53.81 3dbu s LYS 154 Cb -0.19 -3.65 0.32 0.00 -1.46 0.00 0.00 37.83 32.85 3dbu s LYS 154 CO 0.22 -0.75 1.78 -1.35 0.16 0.00 0.00 175.35 175.41 3dbu h PRO 155 N 8.35 0.58 0.00 4.03 0.11 -1.92 -0.91 132.00 142.23 3dbu h PRO 155 Ca -0.24 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3dbu h PRO 155 Cb 1.09 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3dbu h PRO 155 CO 0.67 0.38 0.00 0.78 -0.21 0.00 0.00 178.00 179.62 3dbu h GLY 156 N 0.59 0.00 0.72 -0.55 0.00 -1.94 -1.98 103.07 99.91 3dbu h GLY 156 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3dbu h GLY 156 CO -0.26 0.00 -1.15 -0.10 0.00 0.00 0.00 176.54 175.03 3dbu n LEU 157 N -2.29 0.62 0.01 3.11 7.94 -0.35 -4.48 117.00 121.56 3dbu n LEU 157 Ca -0.01 0.16 0.02 0.00 -1.11 0.00 0.00 56.01 55.07 3dbu n LEU 157 Cb 0.04 -0.07 0.37 0.00 0.53 0.00 0.00 43.42 44.30 3dbu n LEU 157 CO 0.10 -0.07 1.05 -0.61 -1.11 0.00 0.00 177.39 176.75 3dbu h GLN 158 N 0.00 0.51 -0.82 1.96 5.75 -1.35 -0.96 115.11 120.19 3dbu h GLN 158 Ca 0.00 -0.06 0.06 0.00 -0.15 0.00 0.00 58.65 58.49 3dbu h GLN 158 Cb 0.89 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 29.30 3dbu h GLN 158 CO 0.00 0.43 0.54 0.87 -2.65 0.00 0.00 178.83 178.02 3dbu h LYS 159 N 0.51 0.90 0.04 1.69 1.57 -1.78 -0.39 116.57 119.11 3dbu h LYS 159 Ca 0.12 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3dbu h LYS 159 Cb 0.12 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3dbu h LYS 159 CO -0.01 0.60 -0.02 0.28 -0.57 0.00 0.00 179.45 179.72 3dbu h VAL 160 N 0.93 1.24 -0.86 0.50 2.07 -1.49 -3.23 116.25 115.40 3dbu h VAL 160 Ca 0.35 -0.94 0.08 0.00 0.82 0.00 0.00 66.70 67.02 3dbu h VAL 160 Cb 0.19 1.85 -0.07 0.00 -1.52 0.00 0.00 31.29 31.74 3dbu h VAL 160 CO -0.12 0.23 0.52 0.58 0.02 0.00 0.00 177.57 178.80 3dbu h VAL 161 N -0.47 0.98 0.00 2.57 2.07 -0.74 -2.36 116.25 118.29 3dbu h VAL 161 Ca -0.01 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3dbu h VAL 161 Cb 0.43 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 3dbu h VAL 161 CO 0.01 0.17 0.00 0.44 0.02 0.00 0.00 177.57 178.20 3dbu h ASP 162 N 0.91 0.00 0.99 0.57 3.32 -1.12 -2.82 116.42 118.27 3dbu h ASP 162 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 3dbu h ASP 162 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3dbu h ASP 162 CO -0.21 0.00 -0.92 0.58 -1.72 0.00 0.00 179.24 176.97 3dbu h VAL 163 N 0.00 0.00 -0.46 -1.35 2.07 -1.44 -3.39 116.25 111.68 3dbu h VAL 163 Ca 0.00 -0.91 0.13 0.00 0.82 0.00 0.00 66.70 66.74 3dbu h VAL 163 Cb 0.46 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 3dbu h VAL 163 CO 0.00 0.00 0.35 -0.07 0.02 0.00 0.00 177.57 177.87 3dbu h LEU 164 N 0.00 0.00 -0.86 2.57 3.38 -1.48 0.82 115.31 119.74 3dbu h LEU 164 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 3dbu h LEU 164 Cb 0.96 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.62 3dbu h LEU 164 CO 0.00 0.00 0.48 -2.24 0.09 0.00 0.00 178.44 176.77 3dbu h ASP 165 N 0.00 0.65 0.57 -0.43 2.03 -1.80 -1.87 116.42 115.56 3dbu h ASP 165 Ca 0.22 0.07 -0.02 0.00 -0.73 0.00 0.00 57.03 56.57 3dbu h ASP 165 Cb 0.92 -0.05 -0.00 0.00 -0.83 0.00 0.00 39.33 39.36 3dbu h ASP 165 CO -0.00 0.33 -0.09 0.28 -1.03 0.00 0.00 179.24 178.73 3dbu h SER 166 N 0.75 0.00 -1.18 4.15 0.02 -1.15 -3.15 113.55 112.98 3dbu h SER 166 Ca 0.44 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.87 3dbu h SER 166 Cb 0.51 0.00 -0.42 0.00 0.14 0.00 0.00 62.40 62.63 3dbu h SER 166 CO -0.30 0.09 -0.86 2.30 -1.14 0.00 0.00 176.83 176.92 3dbu n ILE 167 N -3.37 2.10 -0.06 3.27 -5.35 -0.71 -4.77 119.36 110.47 3dbu n ILE 167 Ca -0.01 -4.32 -0.01 0.00 -0.27 0.00 0.00 62.75 58.14 3dbu n ILE 167 Cb 0.26 -0.74 0.26 0.00 -1.74 0.00 0.00 39.64 37.68 3dbu n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3dbu h LYS 168 N 2.56 0.67 -6.22 6.28 3.64 -1.50 -3.42 116.57 118.57 3dbu h LYS 168 Ca 0.22 -0.13 -0.60 0.00 -1.27 0.00 0.00 60.65 58.87 3dbu h LYS 168 Cb 1.13 -0.10 -0.13 0.00 -0.41 0.00 0.00 32.23 32.71 3dbu h LYS 168 CO 0.72 0.63 -0.74 0.95 -2.27 0.00 0.00 179.45 178.73 3dbu s THR 169 N -5.13 2.63 0.25 1.00 -4.23 -1.26 -1.09 115.64 107.81 3dbu s THR 169 Ca -0.09 -2.32 -0.30 0.00 -1.18 0.00 0.00 61.69 57.80 3dbu s THR 169 Cb 0.16 -2.38 -0.14 0.00 1.34 0.00 0.00 72.50 71.48 3dbu s THR 169 CO 0.78 -0.38 1.30 1.17 -0.54 0.00 0.00 174.62 176.94 3dbu n LYS 170 N -0.63 1.83 0.00 3.99 4.81 -0.42 -1.98 118.16 125.76 3dbu n LYS 170 Ca -0.05 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 3dbu n LYS 170 Cb 0.60 -2.23 0.00 0.00 0.02 0.00 0.00 35.03 33.42 3dbu n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3dbu n GLY 171 N 1.76 2.24 3.75 3.14 0.00 0.74 -4.60 105.19 112.23 3dbu n GLY 171 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3dbu n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dbu s LYS 172 N -0.38 4.61 0.11 1.61 -0.14 -0.84 -4.88 119.74 119.83 3dbu s LYS 172 Ca 0.00 1.82 0.03 0.00 -1.36 0.00 0.00 55.97 56.46 3dbu s LYS 172 Cb 0.00 -3.20 -0.04 0.00 -1.68 0.00 0.00 37.83 32.91 3dbu s LYS 172 CO 0.00 0.15 -0.08 -1.54 -0.76 0.00 0.00 175.35 173.12 3dbu s SER 173 N -0.67 1.35 0.01 2.83 1.04 -1.26 -1.44 113.70 115.55 3dbu s SER 173 Ca 0.46 -0.96 -0.05 0.00 0.48 0.00 0.00 55.95 55.88 3dbu s SER 173 Cb -0.32 0.05 -0.00 0.00 0.10 0.00 0.00 66.02 65.85 3dbu s SER 173 CO 0.41 -0.39 0.09 0.00 0.98 0.00 0.00 173.24 174.32 3dbu s ALA 174 N -3.29 -0.19 0.25 5.32 0.00 -0.12 -4.94 121.76 118.79 3dbu s ALA 174 Ca 0.11 -0.27 -0.31 0.00 0.00 0.00 0.00 51.96 51.50 3dbu s ALA 174 Cb 0.03 0.12 -0.13 0.00 0.00 0.00 0.00 23.12 23.14 3dbu s ALA 174 CO -0.02 -0.19 1.50 -0.25 0.00 0.00 0.00 175.76 176.80 3dbu n ASP 175 N 1.51 3.25 -3.18 0.00 8.00 -1.26 -0.73 116.55 124.15 3dbu n ASP 175 Ca -0.23 1.14 -0.20 0.00 0.71 0.00 0.00 54.79 56.20 3dbu n ASP 175 Cb 0.55 -1.50 -0.06 0.00 -0.02 0.00 0.00 41.12 40.09 3dbu n ASP 175 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3dbu n PHE 176 N 2.17 -1.65 -3.44 1.24 7.35 -0.35 -4.72 117.46 118.05 3dbu n PHE 176 Ca 0.11 -2.81 -0.20 0.00 -0.76 0.00 0.00 57.45 53.79 3dbu n PHE 176 Cb 0.33 0.53 -0.00 0.00 0.35 0.00 0.00 39.48 40.69 3dbu n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3dbu s THR 177 N 0.09 4.16 -1.75 -2.13 -4.23 -1.26 -3.23 115.64 107.30 3dbu s THR 177 Ca 0.33 -0.92 0.00 0.00 -1.18 0.00 0.00 61.69 59.92 3dbu s THR 177 Cb 0.06 -3.46 0.00 0.00 1.34 0.00 0.00 72.50 70.44 3dbu s THR 177 CO -0.16 -0.20 0.00 0.59 -0.54 0.00 0.00 174.62 174.32 3dbu n ASN 178 N -1.69 -5.75 -4.71 3.99 4.13 -1.26 -4.96 115.26 105.01 3dbu n ASN 178 Ca -0.01 0.01 -0.40 0.00 1.68 0.00 0.00 54.58 55.86 3dbu n ASN 178 Cb 0.58 -4.78 -0.05 0.00 -1.54 0.00 0.00 39.78 33.99 3dbu n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3dbu s PHE 179 N -3.00 3.57 -0.40 3.10 5.36 -1.26 -5.01 117.98 120.33 3dbu s PHE 179 Ca 0.00 1.25 -0.14 0.00 -0.96 0.00 0.00 56.93 57.08 3dbu s PHE 179 Cb 0.00 -2.82 0.03 0.00 -0.34 0.00 0.00 43.02 39.89 3dbu s PHE 179 CO 0.00 0.07 0.28 0.34 -1.46 0.00 0.00 175.22 174.45 3dbu s ASP 180 N 0.82 5.99 0.00 6.13 -1.08 -1.26 -4.45 116.67 122.82 3dbu s ASP 180 Ca 0.38 -0.98 0.14 0.00 -0.52 0.00 0.00 52.55 51.57 3dbu s ASP 180 Cb -0.18 -2.11 0.62 0.00 -1.46 0.00 0.00 42.92 39.79 3dbu s ASP 180 CO 0.18 -0.45 1.46 -0.81 0.52 0.00 0.00 175.17 176.08 3dbu n PRO 181 N 5.11 0.00 0.30 4.34 -0.04 -1.26 -2.67 135.00 140.77 3dbu n PRO 181 Ca -0.11 0.25 0.16 0.00 -0.04 0.00 0.00 63.50 63.76 3dbu n PRO 181 Cb 0.46 -1.50 0.95 0.00 -0.04 0.00 0.00 33.50 33.37 3dbu n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dbu h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.92 -1.14 114.38 114.94 3dbu h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dbu h ARG 182 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3dbu h ARG 182 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3dbu n GLY 183 N -1.30 -0.69 0.61 0.04 0.00 -1.09 -2.83 105.19 99.93 3dbu n GLY 183 Ca -0.03 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.00 3dbu n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dbu n LEU 184 N -1.22 2.25 -4.83 0.99 4.77 -0.43 -4.36 117.00 114.17 3dbu n LEU 184 Ca 0.08 -0.97 -0.36 0.00 -0.03 0.00 0.00 56.01 54.72 3dbu n LEU 184 Cb 0.10 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 3dbu n LEU 184 CO 0.10 0.40 0.26 -0.76 -1.33 0.00 0.00 177.39 176.07 3dbu s LEU 185 N -1.41 4.40 1.03 2.23 1.43 -1.13 -4.94 118.68 120.29 3dbu s LEU 185 Ca 0.18 1.16 -0.15 0.00 -1.03 0.00 0.00 54.13 54.30 3dbu s LEU 185 Cb 0.13 -3.17 0.20 0.00 0.03 0.00 0.00 46.19 43.39 3dbu s LEU 185 CO 0.22 0.15 1.13 -2.16 0.23 0.00 0.00 176.35 175.92 3dbu s PRO 186 N -1.68 0.16 0.10 1.29 0.04 -1.26 -4.97 135.00 128.68 3dbu s PRO 186 Ca 0.35 0.21 -0.16 0.00 0.04 0.00 0.00 61.00 61.44 3dbu s PRO 186 Cb -0.17 -1.73 -0.07 0.00 0.04 0.00 0.00 34.50 32.57 3dbu s PRO 186 CO 0.19 -2.85 1.48 1.49 0.04 0.00 0.00 177.00 177.35 3dbu h GLU 187 N -1.97 0.61 -5.95 4.56 4.81 -1.92 -3.44 114.58 111.29 3dbu h GLU 187 Ca -0.50 -0.25 -0.62 0.00 -0.13 0.00 0.00 59.36 57.86 3dbu h GLU 187 Cb 1.32 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.62 3dbu h GLU 187 CO 0.51 0.83 -0.38 0.45 -0.73 0.00 0.00 179.01 179.69 3dbu s SER 188 N -6.27 6.49 -0.18 1.04 0.15 -1.26 -5.00 113.70 108.67 3dbu s SER 188 Ca -0.13 0.55 0.16 0.00 0.70 0.00 0.00 55.95 57.23 3dbu s SER 188 Cb 0.08 -2.08 0.65 0.00 -1.71 0.00 0.00 66.02 62.96 3dbu s SER 188 CO 0.79 0.22 1.56 0.18 1.20 0.00 0.00 173.24 177.19 3dbu n LEU 189 N 0.90 4.64 -4.77 3.45 4.77 -1.26 -4.71 117.00 120.02 3dbu n LEU 189 Ca -0.09 -2.86 -0.40 0.00 -0.03 0.00 0.00 56.01 52.63 3dbu n LEU 189 Cb 0.52 -0.58 0.01 0.00 -2.33 0.00 0.00 43.42 41.04 3dbu n LEU 189 CO 0.43 0.68 1.08 -1.81 -1.33 0.00 0.00 177.39 176.43 3dbu s ASP 190 N -1.33 5.98 0.13 -1.43 1.01 -1.26 -4.73 116.67 115.04 3dbu s ASP 190 Ca 0.47 2.93 -0.10 0.00 0.71 0.00 0.00 52.55 56.56 3dbu s ASP 190 Cb 0.36 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 41.63 3dbu s ASP 190 CO 0.14 -1.10 0.27 -0.72 0.21 0.00 0.00 175.17 173.96 3dbu s TYR 191 N -1.19 0.17 0.09 4.23 -0.85 -1.26 -1.50 117.35 117.04 3dbu s TYR 191 Ca 0.59 -0.56 0.04 0.00 -0.52 0.00 0.00 57.07 56.62 3dbu s TYR 191 Cb -0.44 0.01 -0.04 0.00 0.38 0.00 0.00 41.96 41.87 3dbu s TYR 191 CO 0.57 -0.65 0.08 -1.58 -1.52 0.00 0.00 175.55 172.45 3dbu s TRP 192 N -3.89 3.16 0.00 -3.49 0.51 -0.01 -1.11 118.94 114.11 3dbu s TRP 192 Ca 0.09 0.05 -0.04 0.00 -2.12 0.00 0.00 56.10 54.08 3dbu s TRP 192 Cb 0.04 -1.59 -0.01 0.00 -0.81 0.00 0.00 33.47 31.10 3dbu s TRP 192 CO -0.07 0.52 0.06 -0.08 -0.51 0.00 0.00 176.95 176.87 3dbu s THR 193 N -1.44 0.08 0.10 2.01 -1.32 0.40 -0.74 115.64 114.74 3dbu s THR 193 Ca 0.29 -0.66 -0.25 0.00 -1.21 0.00 0.00 61.69 59.86 3dbu s THR 193 Cb -0.12 -0.31 0.07 0.00 -1.51 0.00 0.00 72.50 70.63 3dbu s THR 193 CO 0.22 -0.36 0.64 -0.72 -2.21 0.00 0.00 174.62 172.18 3dbu s TYR 194 N -1.17 -0.56 -0.02 9.09 1.13 -1.02 -1.26 117.35 123.54 3dbu s TYR 194 Ca -0.13 0.51 -0.23 0.00 -1.41 0.00 0.00 57.07 55.81 3dbu s TYR 194 Cb -0.07 0.52 -0.05 0.00 -1.10 0.00 0.00 41.96 41.26 3dbu s TYR 194 CO 0.00 -0.77 0.69 -1.25 -2.51 0.00 0.00 175.55 171.71 3dbu s PRO 195 N -3.10 4.42 0.00 -3.49 0.04 -1.26 -1.26 135.00 130.34 3dbu s PRO 195 Ca -0.02 0.88 0.00 0.00 0.04 0.00 0.00 61.00 61.91 3dbu s PRO 195 Cb -0.01 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 31.14 3dbu s PRO 195 CO -0.07 0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.58 3dbu n GLY 196 N 2.74 4.43 3.23 0.56 0.00 0.89 -4.84 105.19 112.21 3dbu n GLY 196 Ca -0.03 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 3dbu n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dbu s SER 197 N 1.51 0.41 0.63 1.61 1.04 -1.13 -2.65 113.70 115.12 3dbu s SER 197 Ca 0.00 -1.40 -0.18 0.00 0.48 0.00 0.00 55.95 54.84 3dbu s SER 197 Cb 0.00 0.34 -0.02 0.00 0.10 0.00 0.00 66.02 66.44 3dbu s SER 197 CO 0.00 -0.83 1.26 -0.76 0.98 0.00 0.00 173.24 173.90 3dbu s LEU 198 N -3.20 3.61 0.00 2.42 1.43 -0.35 -4.49 118.68 118.10 3dbu s LEU 198 Ca 0.39 2.54 0.23 0.00 -1.03 0.00 0.00 54.13 56.26 3dbu s LEU 198 Cb 0.07 -4.61 0.38 0.00 0.03 0.00 0.00 46.19 42.07 3dbu s LEU 198 CO 0.13 -1.85 1.37 0.35 0.23 0.00 0.00 176.35 176.58 3dbu n THR 199 N -1.77 0.43 -4.36 5.49 -2.24 -1.26 -4.47 114.28 106.10 3dbu n THR 199 Ca 0.15 -0.72 -0.22 0.00 -2.27 0.00 0.00 64.05 60.99 3dbu n THR 199 Cb 0.49 1.06 -0.11 0.00 -2.10 0.00 0.00 70.33 69.66 3dbu n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3dbu s THR 200 N -1.54 1.95 0.27 4.28 -4.23 -1.26 -4.72 115.64 110.39 3dbu s THR 200 Ca 0.37 -2.04 -0.28 0.00 -1.18 0.00 0.00 61.69 58.55 3dbu s THR 200 Cb 0.22 -1.97 -0.15 0.00 1.34 0.00 0.00 72.50 71.95 3dbu s THR 200 CO 0.31 -0.35 0.91 -2.65 -0.54 0.00 0.00 174.62 172.30 3dbu n PRO 201 N 0.06 1.09 -0.01 3.99 -0.02 -1.26 -0.93 135.00 137.92 3dbu n PRO 201 Ca -0.11 0.38 0.03 0.00 -2.02 0.00 0.00 63.50 61.78 3dbu n PRO 201 Cb 0.58 -1.68 0.15 0.00 -0.02 0.00 0.00 33.50 32.53 3dbu n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3dbu n PRO 202 N 0.77 1.07 -2.12 0.52 -0.04 -1.26 -5.00 135.00 128.94 3dbu n PRO 202 Ca 0.11 -0.11 -0.17 0.00 -0.04 0.00 0.00 63.50 63.29 3dbu n PRO 202 Cb 0.31 -1.10 -0.02 0.00 -0.04 0.00 0.00 33.50 32.65 3dbu n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3dbu n LEU 203 N -0.48 -1.65 -4.77 1.53 4.77 -0.10 -4.91 117.00 111.38 3dbu n LEU 203 Ca 0.05 0.09 -0.41 0.00 -0.03 0.00 0.00 56.01 55.71 3dbu n LEU 203 Cb 0.04 -2.49 -0.00 0.00 -2.33 0.00 0.00 43.42 38.64 3dbu n LEU 203 CO 0.03 -0.35 1.07 -0.76 -1.33 0.00 0.00 177.39 176.05 3dbu s LEU 204 N -4.68 4.31 -1.28 2.23 1.43 -1.26 -4.41 118.68 115.01 3dbu s LEU 204 Ca 0.00 2.90 -0.09 0.00 -1.03 0.00 0.00 54.13 55.91 3dbu s LEU 204 Cb 0.00 -3.72 0.17 0.00 0.03 0.00 0.00 46.19 42.66 3dbu s LEU 204 CO 0.00 -0.83 1.90 -0.62 0.23 0.00 0.00 176.35 177.04 3dbu n GLU 205 N 0.42 3.72 -0.16 1.70 1.02 -1.26 -1.21 120.64 124.86 3dbu n GLU 205 Ca 0.02 -3.55 0.03 0.00 -0.02 0.00 0.00 57.16 53.64 3dbu n GLU 205 Cb 0.41 -2.89 0.04 0.00 -0.02 0.00 0.00 31.44 28.98 3dbu n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dbu s VAL 207 N -1.14 2.98 -0.39 0.00 1.01 -1.08 -0.89 120.40 120.88 3dbu s VAL 207 Ca 0.10 -0.70 -0.20 0.00 0.00 0.00 0.00 61.98 61.18 3dbu s VAL 207 Cb 0.09 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.26 3dbu s VAL 207 CO 0.01 0.54 0.59 -0.89 0.00 0.00 0.00 175.10 175.35 3dbu s THR 208 N 0.11 4.92 0.08 3.92 2.01 -0.00 -0.07 115.64 126.60 3dbu s THR 208 Ca -0.07 0.24 -0.24 0.00 0.31 0.00 0.00 61.69 61.93 3dbu s THR 208 Cb -0.15 -4.10 -0.06 0.00 0.01 0.00 0.00 72.50 68.20 3dbu s THR 208 CO 0.05 -0.42 0.75 0.26 -0.69 0.00 0.00 174.62 174.57 3dbu s TRP 209 N 2.62 3.79 -0.26 4.92 0.52 -0.39 -2.23 118.94 127.91 3dbu s TRP 209 Ca 0.21 1.50 0.01 0.00 0.02 0.00 0.00 56.10 57.83 3dbu s TRP 209 Cb -0.15 -2.77 0.07 0.00 -1.15 0.00 0.00 33.47 29.47 3dbu s TRP 209 CO 0.16 0.37 -0.01 0.42 0.02 0.00 0.00 176.95 177.91 3dbu s ILE 210 N -0.45 1.48 -0.21 2.03 1.01 -0.70 -2.42 121.20 121.94 3dbu s ILE 210 Ca 0.37 -1.37 -0.04 0.00 0.00 0.00 0.00 60.65 59.61 3dbu s ILE 210 Cb -0.21 -1.86 -0.01 0.00 0.01 0.00 0.00 42.46 40.39 3dbu s ILE 210 CO 0.23 -0.27 -0.05 -0.69 0.00 0.00 0.00 174.94 174.17 3dbu s VAL 211 N 1.38 3.34 0.25 2.92 1.01 0.08 -0.85 120.40 128.53 3dbu s VAL 211 Ca -0.01 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 3dbu s VAL 211 Cb -0.19 -2.51 -0.09 0.00 0.00 0.00 0.00 36.38 33.60 3dbu s VAL 211 CO -0.10 0.43 1.07 -0.76 0.00 0.00 0.00 175.10 175.75 3dbu s LEU 212 N 1.38 4.56 0.18 3.92 1.43 -0.37 -0.83 118.68 128.94 3dbu s LEU 212 Ca 0.05 2.18 -0.09 0.00 -1.03 0.00 0.00 54.13 55.24 3dbu s LEU 212 Cb -0.14 -3.62 0.07 0.00 0.03 0.00 0.00 46.19 42.53 3dbu s LEU 212 CO -0.03 -0.10 1.62 0.50 0.23 0.00 0.00 176.35 178.57 3dbu h LYS 213 N 4.14 1.02 -5.64 1.70 3.64 -1.61 -3.43 116.57 116.39 3dbu h LYS 213 Ca -0.46 -0.36 -0.60 0.00 -1.27 0.00 0.00 60.65 57.96 3dbu h LYS 213 Cb 1.21 -0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 32.86 3dbu h LYS 213 CO 0.68 1.05 0.29 -2.00 -2.27 0.00 0.00 179.45 177.20 3dbu s GLU 214 N -4.88 4.15 0.72 1.90 2.12 -1.26 -5.01 118.70 116.44 3dbu s GLU 214 Ca -0.11 0.72 -0.11 0.00 0.36 0.00 0.00 54.97 55.83 3dbu s GLU 214 Cb 0.13 -3.64 0.02 0.00 0.26 0.00 0.00 34.13 30.91 3dbu s GLU 214 CO 0.86 -0.44 1.07 -2.14 -0.54 0.00 0.00 175.26 174.07 3dbu s PRO 215 N 2.58 2.70 0.16 4.30 0.02 -1.26 -4.68 135.00 138.81 3dbu s PRO 215 Ca 0.30 0.91 0.03 0.00 0.02 0.00 0.00 61.00 62.26 3dbu s PRO 215 Cb -0.15 -1.97 -0.04 0.00 0.02 0.00 0.00 34.50 32.36 3dbu s PRO 215 CO 0.08 -1.26 0.25 0.96 -0.33 0.00 0.00 177.00 176.71 3dbu s ILE 216 N -3.05 5.12 -0.04 2.83 -4.36 0.48 -4.88 121.20 117.30 3dbu s ILE 216 Ca 0.59 -0.80 -0.00 0.00 -0.26 0.00 0.00 60.65 60.17 3dbu s ILE 216 Cb -0.14 -3.65 -0.04 0.00 1.25 0.00 0.00 42.46 39.89 3dbu s ILE 216 CO 0.55 -0.11 0.02 -0.94 0.24 0.00 0.00 174.94 174.69 3dbu s SER 217 N -3.26 5.27 0.16 4.36 1.04 -1.26 -1.14 113.70 118.86 3dbu s SER 217 Ca 0.34 0.08 0.06 0.00 0.48 0.00 0.00 55.95 56.91 3dbu s SER 217 Cb -0.11 -1.45 -0.04 0.00 0.10 0.00 0.00 66.02 64.53 3dbu s SER 217 CO 0.27 0.32 -0.12 0.68 0.98 0.00 0.00 173.24 175.37 3dbu s VAL 218 N -1.02 1.38 0.52 5.02 -7.23 -0.01 -3.64 120.40 115.43 3dbu s VAL 218 Ca 0.17 -2.02 -0.06 0.00 -1.81 0.00 0.00 61.98 58.27 3dbu s VAL 218 Cb -0.12 -1.82 -0.03 0.00 0.56 0.00 0.00 36.38 34.97 3dbu s VAL 218 CO 0.07 -0.62 0.84 -0.94 -0.31 0.00 0.00 175.10 174.15 3dbu s SER 219 N -3.03 6.15 0.28 4.85 1.04 -0.92 -0.56 113.70 121.51 3dbu s SER 219 Ca 0.16 0.97 0.02 0.00 0.48 0.00 0.00 55.95 57.58 3dbu s SER 219 Cb -0.00 -2.19 0.61 0.00 0.10 0.00 0.00 66.02 64.53 3dbu s SER 219 CO 0.03 -0.70 1.77 -1.28 0.98 0.00 0.00 173.24 174.04 3dbu h SER 220 N 0.07 0.66 -0.66 7.02 0.87 -1.90 -1.05 113.55 118.55 3dbu h SER 220 Ca -0.46 0.09 -0.06 0.00 -1.23 0.00 0.00 61.79 60.13 3dbu h SER 220 Cb 1.21 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 63.12 3dbu h SER 220 CO 0.62 0.27 0.19 -0.33 -0.53 0.00 0.00 176.83 177.04 3dbu h GLU 221 N 0.71 1.04 0.06 2.24 3.07 -1.95 -1.13 114.58 118.62 3dbu h GLU 221 Ca 0.51 -0.23 -0.00 0.00 -0.50 0.00 0.00 59.36 59.13 3dbu h GLU 221 Cb 0.72 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 3dbu h GLU 221 CO -0.36 0.92 -0.03 1.96 -1.40 0.00 0.00 179.01 180.10 3dbu h GLN 222 N 0.97 -0.08 -0.43 2.33 4.20 -1.58 -2.84 115.11 117.68 3dbu h GLN 222 Ca 0.21 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.89 3dbu h GLN 222 Cb 0.32 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 3dbu h GLN 222 CO -0.00 0.03 0.13 0.28 -0.67 0.00 0.00 178.83 178.59 3dbu h VAL 223 N -0.17 1.18 -0.98 -0.54 2.07 -1.32 -2.43 116.25 114.07 3dbu h VAL 223 Ca -0.01 -0.62 0.16 0.00 0.82 0.00 0.00 66.70 67.06 3dbu h VAL 223 Cb 0.15 0.72 -0.10 0.00 -1.52 0.00 0.00 31.29 30.54 3dbu h VAL 223 CO 0.01 0.23 0.59 0.25 0.02 0.00 0.00 177.57 178.67 3dbu h LEU 224 N 0.61 0.78 -1.27 2.57 6.46 -0.98 0.28 115.31 123.77 3dbu h LEU 224 Ca 0.14 0.08 -0.07 0.00 -0.12 0.00 0.00 57.88 57.92 3dbu h LEU 224 Cb 0.19 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 3dbu h LEU 224 CO -0.01 0.33 -0.24 0.11 -0.62 0.00 0.00 178.44 178.02 3dbu h LYS 225 N 0.81 0.20 -0.91 1.25 1.57 -1.22 -2.02 116.57 116.26 3dbu h LYS 225 Ca 0.53 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 59.28 3dbu h LYS 225 Cb 0.73 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.97 3dbu h LYS 225 CO -0.34 0.43 0.60 0.74 -0.57 0.00 0.00 179.45 180.30 3dbu h PHE 226 N 0.18 1.12 0.00 -1.35 -1.00 -0.94 -2.46 116.94 112.49 3dbu h PHE 226 Ca 0.03 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.84 3dbu h PHE 226 Cb 0.52 -0.38 0.00 0.00 3.61 0.00 0.00 35.95 39.71 3dbu h PHE 226 CO 0.01 0.68 0.00 0.54 -1.61 0.00 0.00 178.31 177.92 3dbu n ARG 227 N -4.42 0.69 0.00 1.51 1.74 -0.76 -2.57 116.66 112.85 3dbu n ARG 227 Ca 0.11 0.01 0.12 0.00 -0.77 0.00 0.00 57.85 57.32 3dbu n ARG 227 Cb 0.06 -1.50 0.16 0.00 -1.02 0.00 0.00 32.46 30.16 3dbu n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3dbu n LYS 228 N -1.05 0.88 -1.04 5.56 5.02 -0.92 -4.46 118.16 122.14 3dbu n LYS 228 Ca 0.17 -0.65 -0.29 0.00 -2.02 0.00 0.00 58.31 55.52 3dbu n LYS 228 Cb 0.10 -1.49 0.17 0.00 -0.02 0.00 0.00 35.03 33.79 3dbu n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dbu s LEU 229 N -2.56 1.96 -0.00 -0.35 1.43 -1.06 -4.84 118.68 113.26 3dbu s LEU 229 Ca 0.20 1.51 0.06 0.00 -1.03 0.00 0.00 54.13 54.87 3dbu s LEU 229 Cb 0.18 -3.80 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 3dbu s LEU 229 CO 0.58 -3.03 -0.20 0.20 0.23 0.00 0.00 176.35 174.13 3dbu s ASN 230 N -3.21 2.39 0.18 2.29 0.02 -0.25 0.37 114.94 116.74 3dbu s ASN 230 Ca 0.65 -0.39 0.02 0.00 -1.02 0.00 0.00 52.86 52.11 3dbu s ASN 230 Cb -0.20 -0.25 0.04 0.00 0.02 0.00 0.00 41.25 40.86 3dbu s ASN 230 CO 0.58 0.23 1.41 -0.26 0.02 0.00 0.00 177.10 179.09 3dbu h PHE 231 N 5.50 0.34 -4.36 2.20 0.04 -1.51 -3.35 116.94 115.79 3dbu h PHE 231 Ca -0.39 -0.17 -0.50 0.00 2.80 0.00 0.00 57.97 59.70 3dbu h PHE 231 Cb 1.14 -0.04 0.09 0.00 2.20 0.00 0.00 35.95 39.34 3dbu h PHE 231 CO 0.41 0.95 0.38 0.54 -0.60 0.00 0.00 178.31 179.99 3dbu s ASN 232 N -6.94 5.23 0.66 2.17 4.22 -1.26 -4.38 114.94 114.64 3dbu s ASN 232 Ca -0.04 1.35 -0.10 0.00 -2.14 0.00 0.00 52.86 51.94 3dbu s ASN 232 Cb 0.10 -2.18 0.01 0.00 1.28 0.00 0.00 41.25 40.46 3dbu s ASN 232 CO 0.83 -1.51 1.03 -0.83 -2.04 0.00 0.00 177.10 174.58 3dbu s GLY 233 N -4.05 1.62 0.21 0.45 0.00 -1.26 -1.29 107.32 103.00 3dbu s GLY 233 Ca 0.59 -0.42 -0.32 0.00 0.00 0.00 0.00 44.72 44.57 3dbu s GLY 233 CO 0.54 -0.09 1.28 -2.21 0.00 0.00 0.00 173.10 172.62 3dbu n GLU 234 N -2.86 1.60 0.00 2.90 2.13 -1.26 -1.99 120.64 121.16 3dbu n GLU 234 Ca 0.06 0.57 0.00 0.00 0.66 0.00 0.00 57.16 58.45 3dbu n GLU 234 Cb 0.57 -2.14 0.00 0.00 0.27 0.00 0.00 31.44 30.14 3dbu n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3dbu n GLY 235 N 2.06 3.25 3.92 8.31 0.00 -1.26 -5.03 105.19 116.43 3dbu n GLY 235 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 3dbu n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dbu s GLU 236 N -0.65 3.50 0.30 1.61 2.02 -0.84 -5.03 118.70 119.60 3dbu s GLU 236 Ca 0.00 0.06 -0.30 0.00 0.02 0.00 0.00 54.97 54.76 3dbu s GLU 236 Cb 0.00 -2.44 -0.12 0.00 0.10 0.00 0.00 34.13 31.67 3dbu s GLU 236 CO 0.00 -0.14 1.43 -2.30 0.02 0.00 0.00 175.26 174.26 3dbu n PRO 237 N -2.16 2.29 -2.31 0.39 -0.02 -1.26 -4.91 135.00 127.01 3dbu n PRO 237 Ca -0.00 0.81 -0.42 0.00 -2.02 0.00 0.00 63.50 61.86 3dbu n PRO 237 Cb 0.55 -2.48 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 3dbu n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3dbu s GLU 238 N -1.02 4.31 -0.11 -0.52 2.12 -1.26 -4.77 118.70 117.45 3dbu s GLU 238 Ca 0.62 1.85 -0.02 0.00 0.36 0.00 0.00 54.97 57.78 3dbu s GLU 238 Cb -0.57 -3.56 0.04 0.00 0.26 0.00 0.00 34.13 30.30 3dbu s GLU 238 CO 0.54 -0.52 0.02 -2.00 -0.54 0.00 0.00 175.26 172.76 3dbu s GLU 239 N 2.30 0.56 0.38 4.30 2.56 -1.26 -5.06 118.70 122.47 3dbu s GLU 239 Ca 0.61 -0.04 -0.27 0.00 0.00 0.00 0.00 54.97 55.27 3dbu s GLU 239 Cb -0.29 -1.32 -0.10 0.00 2.00 0.00 0.00 34.13 34.42 3dbu s GLU 239 CO 0.25 -0.42 1.35 -0.51 -0.56 0.00 0.00 175.26 175.36 3dbu s LEU 240 N 1.96 4.30 -0.85 2.70 1.43 -1.26 -1.47 118.68 125.49 3dbu s LEU 240 Ca 0.03 2.76 -0.24 0.00 -1.03 0.00 0.00 54.13 55.65 3dbu s LEU 240 Cb -0.14 -3.77 0.05 0.00 0.03 0.00 0.00 46.19 42.37 3dbu s LEU 240 CO -0.06 -0.76 1.28 -0.32 0.23 0.00 0.00 176.35 176.71 3dbu s MET 241 N -2.07 3.36 0.05 1.70 -2.45 0.16 -4.62 119.30 115.44 3dbu s MET 241 Ca 0.53 -0.80 -0.05 0.00 -1.25 0.00 0.00 55.69 54.13 3dbu s MET 241 Cb -0.41 -4.69 -0.02 0.00 1.25 0.00 0.00 34.83 30.97 3dbu s MET 241 CO 0.54 -2.08 0.08 0.14 1.05 0.00 0.00 175.02 174.74 3dbu s VAL 242 N 4.91 0.16 -1.33 10.11 -7.23 -1.26 -4.52 120.40 121.24 3dbu s VAL 242 Ca 0.37 -1.32 -0.02 0.00 -1.81 0.00 0.00 61.98 59.20 3dbu s VAL 242 Cb -0.06 -1.18 0.01 0.00 0.56 0.00 0.00 36.38 35.71 3dbu s VAL 242 CO 0.03 -0.73 0.75 0.47 -0.31 0.00 0.00 175.10 175.30 3dbu n ASP 243 N 0.38 -1.67 -2.75 4.85 8.00 -0.40 -4.87 116.55 120.09 3dbu n ASP 243 Ca -0.17 -0.80 -0.34 0.00 0.71 0.00 0.00 54.79 54.19 3dbu n ASP 243 Cb 0.60 -4.08 -0.01 0.00 -0.02 0.00 0.00 41.12 37.61 3dbu n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3dbu n ASN 244 N -3.03 7.04 -4.28 -2.24 6.94 -1.12 -4.91 115.26 113.65 3dbu n ASN 244 Ca -0.26 -3.52 -0.25 0.00 -0.02 0.00 0.00 54.58 50.53 3dbu n ASN 244 Cb 0.66 -1.16 -0.13 0.00 -2.36 0.00 0.00 39.78 36.79 3dbu n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 3dbu s TRP 245 N -2.89 1.86 -0.05 -2.53 1.48 -1.26 -4.61 118.94 110.93 3dbu s TRP 245 Ca 0.55 -0.39 -0.12 0.00 -1.06 0.00 0.00 56.10 55.08 3dbu s TRP 245 Cb 0.40 -1.07 -0.05 0.00 -1.16 0.00 0.00 33.47 31.59 3dbu s TRP 245 CO -0.31 0.15 0.30 0.50 -4.06 0.00 0.00 176.95 173.52 3dbu s ARG 246 N -1.49 3.75 0.77 3.25 3.52 -1.26 -4.98 118.95 122.51 3dbu s ARG 246 Ca 0.08 0.19 -0.11 0.00 -0.13 0.00 0.00 55.73 55.75 3dbu s ARG 246 Cb -0.09 -3.22 0.06 0.00 -1.56 0.00 0.00 34.95 30.14 3dbu s ARG 246 CO 0.03 0.70 1.11 -2.14 -0.81 0.00 0.00 175.30 174.19 3dbu s PRO 247 N -0.98 2.15 0.30 5.12 0.02 -1.26 -4.66 135.00 135.69 3dbu s PRO 247 Ca 0.20 1.30 -0.29 0.00 0.02 0.00 0.00 61.00 62.23 3dbu s PRO 247 Cb -0.15 -1.88 -0.12 0.00 0.02 0.00 0.00 34.50 32.37 3dbu s PRO 247 CO 0.09 -1.74 1.40 0.00 -0.33 0.00 0.00 177.00 176.42 3dbu n ALA 248 N -3.39 1.52 -2.78 -1.55 0.00 -1.26 -4.35 120.51 108.69 3dbu n ALA 248 Ca 0.10 0.38 -0.22 0.00 0.00 0.00 0.00 53.44 53.70 3dbu n ALA 248 Cb 0.52 -2.31 -0.05 0.00 0.00 0.00 0.00 19.45 17.62 3dbu n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3dbu s GLN 249 N -1.15 2.83 0.28 0.00 -1.52 0.23 -4.95 119.66 115.38 3dbu s GLN 249 Ca 0.61 -1.12 -0.29 0.00 -1.95 0.00 0.00 55.36 52.61 3dbu s GLN 249 Cb -0.58 -2.50 -0.10 0.00 -0.22 0.00 0.00 33.01 29.61 3dbu s GLN 249 CO 0.56 0.38 1.39 -2.14 -0.25 0.00 0.00 175.29 175.22 3dbu s PRO 250 N -3.83 4.30 0.31 2.91 0.02 -1.26 -4.59 135.00 132.85 3dbu s PRO 250 Ca 0.33 2.27 0.02 0.00 0.02 0.00 0.00 61.00 63.64 3dbu s PRO 250 Cb -0.07 -3.10 0.50 0.00 0.02 0.00 0.00 34.50 31.85 3dbu s PRO 250 CO 0.24 -0.34 1.83 1.25 -0.33 0.00 0.00 177.00 179.65 3dbu h LEU 251 N 4.40 0.57 0.00 -5.54 5.85 -1.95 -3.44 115.31 115.21 3dbu h LEU 251 Ca -0.47 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.12 3dbu h LEU 251 Cb 1.22 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.10 3dbu h LEU 251 CO 0.73 0.66 0.00 0.29 -0.34 0.00 0.00 178.44 179.78 3dbu n LYS 252 N -4.24 0.00 -2.24 1.25 5.02 -1.26 -3.21 118.16 113.47 3dbu n LYS 252 Ca 0.02 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.91 3dbu n LYS 252 Cb 0.28 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.30 3dbu n LYS 252 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3dbu n ASN 253 N 3.00 7.48 -4.22 4.39 3.02 -1.26 -4.91 115.26 122.76 3dbu n ASN 253 Ca 0.00 -3.54 -0.20 0.00 -0.03 0.00 0.00 54.58 50.81 3dbu n ASN 253 Cb 0.00 -1.20 -0.12 0.00 -0.61 0.00 0.00 39.78 37.85 3dbu n ASN 253 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3dbu s ARG 254 N -3.29 0.94 -0.09 3.52 0.52 -1.20 -5.15 118.95 114.21 3dbu s ARG 254 Ca 0.47 -1.04 0.02 0.00 -0.52 0.00 0.00 55.73 54.66 3dbu s ARG 254 Cb 0.25 -1.03 -0.02 0.00 0.52 0.00 0.00 34.95 34.67 3dbu s ARG 254 CO -0.19 0.23 -0.15 -0.65 0.02 0.00 0.00 175.30 174.57 3dbu s GLN 255 N -1.84 2.89 -0.07 3.54 -1.52 -1.26 -5.02 119.66 116.37 3dbu s GLN 255 Ca 0.01 -0.71 -0.20 0.00 -1.95 0.00 0.00 55.36 52.52 3dbu s GLN 255 Cb -0.10 -2.47 -0.04 0.00 -0.22 0.00 0.00 33.01 30.18 3dbu s GLN 255 CO 0.03 0.43 0.55 0.42 -0.25 0.00 0.00 175.29 176.47 3dbu s ILE 256 N -0.22 5.08 0.02 1.08 1.01 -1.26 -4.72 121.20 122.18 3dbu s ILE 256 Ca 0.01 1.13 0.02 0.00 0.00 0.00 0.00 60.65 61.80 3dbu s ILE 256 Cb -0.13 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 3dbu s ILE 256 CO 0.03 0.34 0.02 -0.54 0.00 0.00 0.00 174.94 174.79 3dbu s LYS 257 N 0.39 2.81 0.05 2.79 1.02 -0.39 -1.34 119.74 125.07 3dbu s LYS 257 Ca 0.30 -0.63 0.06 0.00 0.02 0.00 0.00 55.97 55.72 3dbu s LYS 257 Cb -0.17 -2.69 -0.03 0.00 -0.52 0.00 0.00 37.83 34.42 3dbu s LYS 257 CO 0.14 0.61 -0.13 0.00 -0.92 0.00 0.00 175.35 175.06 3dbu s ALA 258 N -1.16 2.82 -2.29 5.17 0.00 0.54 -0.45 121.76 126.39 3dbu s ALA 258 Ca 0.22 -1.15 0.28 0.00 0.00 0.00 0.00 51.96 51.31 3dbu s ALA 258 Cb -0.12 -0.90 1.16 0.00 0.00 0.00 0.00 23.12 23.27 3dbu s ALA 258 CO 0.13 0.60 1.81 -1.13 0.00 0.00 0.00 175.76 177.17 3dbu n SER 259 N 1.34 1.15 -3.93 0.00 3.41 -0.27 -0.74 113.62 114.58 3dbu n SER 259 Ca -0.15 -1.30 -0.12 0.00 -0.26 0.00 0.00 58.87 57.04 3dbu n SER 259 Cb 0.52 0.01 -0.13 0.00 -0.26 0.00 0.00 64.21 64.35 3dbu n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3dbu s PHE 260 N -2.08 0.21 -2.16 7.33 -0.71 -1.26 -4.88 117.98 114.42 3dbu s PHE 260 Ca 0.38 -0.18 0.31 0.00 -1.04 0.00 0.00 56.93 56.39 3dbu s PHE 260 Cb 0.21 -0.14 1.64 0.00 -1.21 0.00 0.00 43.02 43.52 3dbu s PHE 260 CO 0.37 -0.05 2.08 1.17 -1.34 0.00 0.00 175.22 177.44