#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dxr s LEU 2 N 0.00 2.43 0.79 0.00 1.02 -1.26 -4.76 118.68 116.90 1dxr s LEU 2 Ca 0.00 -0.33 -0.14 0.00 0.02 0.00 0.00 54.13 53.68 1dxr s LEU 2 Cb 0.00 -1.47 0.05 0.00 0.02 0.00 0.00 46.19 44.79 1dxr s LEU 2 CO 0.00 0.32 1.03 0.18 0.02 0.00 0.00 176.35 177.89 1dxr n LEU 3 N 2.49 3.56 0.29 1.79 4.77 -1.26 -4.85 117.00 123.80 1dxr n LEU 3 Ca -0.17 0.59 0.15 0.00 -0.03 0.00 0.00 56.01 56.55 1dxr n LEU 3 Cb 0.52 -1.44 0.91 0.00 -2.33 0.00 0.00 43.42 41.08 1dxr n LEU 3 CO 0.25 -2.04 1.13 0.77 -1.33 0.00 0.00 177.39 176.17 1dxr h SER 4 N -0.72 0.00 -0.20 -1.43 4.64 -2.07 -1.40 113.55 112.37 1dxr h SER 4 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1dxr h SER 4 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1dxr h SER 4 CO 0.45 0.00 0.00 2.22 -0.87 0.00 0.00 176.83 178.63 1dxr n PHE 5 N -3.86 0.25 0.09 4.77 1.16 -1.26 -4.65 117.46 113.96 1dxr n PHE 5 Ca -0.03 -0.17 -0.16 0.00 -1.87 0.00 0.00 57.45 55.23 1dxr n PHE 5 Cb 0.09 -0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 37.85 1dxr n PHE 5 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 1dxr h GLU 6 N 3.43 0.36 -0.90 3.97 4.81 -1.59 -3.37 114.58 121.30 1dxr h GLU 6 Ca 0.00 -0.50 0.09 0.00 -0.13 0.00 0.00 59.36 58.82 1dxr h GLU 6 Cb 0.79 0.17 -0.06 0.00 0.63 0.00 0.00 28.75 30.27 1dxr h GLU 6 CO 0.00 1.19 0.58 -0.09 -0.73 0.00 0.00 179.01 179.96 1dxr h ARG 7 N 0.16 0.91 0.00 1.92 2.43 -1.83 -0.71 114.38 117.26 1dxr h ARG 7 Ca -0.12 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1dxr h ARG 7 Cb 1.81 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 31.15 1dxr h ARG 7 CO 0.19 0.60 0.00 1.57 -1.51 0.00 0.00 179.97 180.82 1dxr h LYS 8 N 0.94 0.00 0.00 0.20 2.10 -1.95 -2.10 116.57 115.76 1dxr h LYS 8 Ca 0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.06 1dxr h LYS 8 Cb 0.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 1dxr h LYS 8 CO -0.17 0.00 -0.74 0.66 -2.00 0.00 0.00 179.45 177.20 1dxr n TYR 9 N -3.02 0.25 -1.73 0.07 4.01 -0.28 -4.63 117.16 111.83 1dxr n TYR 9 Ca -0.01 0.07 -0.40 0.00 -0.16 0.00 0.00 57.90 57.40 1dxr n TYR 9 Cb 0.18 -0.42 -0.01 0.00 -0.31 0.00 0.00 39.34 38.77 1dxr n TYR 9 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1dxr n ARG 10 N -1.83 4.20 -3.83 -0.72 1.74 -0.79 -4.91 116.66 110.51 1dxr n ARG 10 Ca 0.04 -2.96 -0.20 0.00 -0.77 0.00 0.00 57.85 53.95 1dxr n ARG 10 Cb 0.40 -2.72 -0.02 0.00 -1.02 0.00 0.00 32.46 29.11 1dxr n ARG 10 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1dxr s VAL 11 N 0.26 4.89 0.49 1.55 -7.23 -1.26 -5.08 120.40 114.01 1dxr s VAL 11 Ca 0.60 -1.01 -0.20 0.00 -1.81 0.00 0.00 61.98 59.56 1dxr s VAL 11 Cb 0.18 -3.71 -0.08 0.00 0.56 0.00 0.00 36.38 33.32 1dxr s VAL 11 CO -0.08 -0.28 1.04 0.00 -0.31 0.00 0.00 175.10 175.47 1dxr s ARG 12 N -4.03 3.77 0.00 4.82 1.70 -1.26 -4.98 118.95 118.96 1dxr s ARG 12 Ca 0.37 1.36 0.00 0.00 -0.47 0.00 0.00 55.73 56.99 1dxr s ARG 12 Cb -0.09 -2.09 0.00 0.00 -0.57 0.00 0.00 34.95 32.20 1dxr s ARG 12 CO 0.29 -0.46 0.00 0.41 -1.08 0.00 0.00 175.30 174.47 1dxr n GLY 13 N -0.29 2.83 0.00 3.88 0.00 -1.26 -5.06 105.19 105.30 1dxr n GLY 13 Ca 0.09 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.04 1dxr n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dxr n GLY 14 N -0.89 0.54 3.78 -0.02 0.00 -1.26 -4.48 105.19 102.85 1dxr n GLY 14 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1dxr n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dxr s THR 15 N -2.00 3.42 -0.14 2.61 -4.23 -1.26 -4.54 115.64 109.51 1dxr s THR 15 Ca 0.00 0.83 -0.28 0.00 -1.18 0.00 0.00 61.69 61.06 1dxr s THR 15 Cb 0.00 -3.32 -0.26 0.00 1.34 0.00 0.00 72.50 70.26 1dxr s THR 15 CO 0.00 -0.24 0.76 -0.07 -0.54 0.00 0.00 174.62 174.52 1dxr h LEU 16 N 1.07 0.03 -8.01 4.79 4.07 -1.94 -3.47 115.31 111.85 1dxr h LEU 16 Ca -0.49 -0.98 -0.18 0.00 0.08 0.00 0.00 57.88 56.31 1dxr h LEU 16 Cb 1.24 -0.01 -0.21 0.00 1.08 0.00 0.00 40.66 42.77 1dxr h LEU 16 CO 0.57 1.04 -0.70 0.27 -1.08 0.00 0.00 178.44 178.54 1dxr s ILE 17 N -2.24 0.17 0.00 1.22 -4.36 -1.26 -4.93 121.20 109.80 1dxr s ILE 17 Ca -0.19 -0.94 0.00 0.00 -0.26 0.00 0.00 60.65 59.26 1dxr s ILE 17 Cb -0.02 -0.32 0.00 0.00 1.25 0.00 0.00 42.46 43.37 1dxr s ILE 17 CO 0.69 -0.49 0.00 0.61 0.24 0.00 0.00 174.94 175.99 1dxr n GLY 18 N 1.56 2.97 7.00 6.27 0.00 -1.26 -4.38 105.19 117.35 1dxr n GLY 18 Ca -0.24 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1dxr n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dxr n GLY 19 N 0.00 2.92 0.22 -0.02 0.00 -1.26 -2.86 105.19 104.18 1dxr n GLY 19 Ca 0.00 -0.28 0.15 0.00 0.00 0.00 0.00 46.02 45.89 1dxr n GLY 19 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dxr h ASP 20 N 3.10 0.00 -0.40 1.61 3.32 -1.94 -3.23 116.42 118.88 1dxr h ASP 20 Ca 0.00 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.09 1dxr h ASP 20 Cb 0.00 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1dxr h ASP 20 CO 0.00 0.00 0.16 0.25 -1.72 0.00 0.00 179.24 177.93 1dxr h LEU 21 N 0.00 0.19 -3.05 1.55 5.85 -1.94 -3.02 115.31 114.90 1dxr h LEU 21 Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1dxr h LEU 21 Cb 0.50 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1dxr h LEU 21 CO 0.00 0.15 0.00 0.49 -0.34 0.00 0.00 178.44 178.74 1dxr n PHE 22 N -4.98 0.29 -2.66 1.25 3.72 -1.24 -4.91 117.46 108.93 1dxr n PHE 22 Ca 0.02 -0.79 -0.43 0.00 -0.05 0.00 0.00 57.45 56.20 1dxr n PHE 22 Cb 0.13 -0.15 -0.00 0.00 -0.94 0.00 0.00 39.48 38.52 1dxr n PHE 22 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1dxr s ASP 23 N -1.96 6.86 0.23 4.37 2.15 -1.14 -0.22 116.67 126.95 1dxr s ASP 23 Ca 0.26 -2.47 -0.22 0.00 0.43 0.00 0.00 52.55 50.54 1dxr s ASP 23 Cb 0.21 -2.54 0.05 0.00 -0.30 0.00 0.00 42.92 40.34 1dxr s ASP 23 CO 0.05 -1.11 0.90 0.72 -0.17 0.00 0.00 175.17 175.56 1dxr s PHE 24 N 3.74 -0.06 0.11 -5.34 -0.12 -1.26 -4.98 117.98 110.07 1dxr s PHE 24 Ca 0.51 -0.36 0.06 0.00 -0.05 0.00 0.00 56.93 57.09 1dxr s PHE 24 Cb 0.02 0.70 -0.04 0.00 -0.63 0.00 0.00 43.02 43.07 1dxr s PHE 24 CO 0.05 -1.06 -0.04 -1.58 -0.05 0.00 0.00 175.22 172.54 1dxr s TRP 25 N -3.05 2.86 -0.30 3.49 0.51 -1.26 -0.97 118.94 120.23 1dxr s TRP 25 Ca 0.14 -0.10 0.03 0.00 -2.12 0.00 0.00 56.10 54.06 1dxr s TRP 25 Cb -0.03 -1.47 0.08 0.00 -0.81 0.00 0.00 33.47 31.24 1dxr s TRP 25 CO 0.05 0.47 -0.02 0.08 -0.51 0.00 0.00 176.95 177.02 1dxr s VAL 26 N -1.34 2.14 0.00 4.03 1.01 0.17 -4.94 120.40 121.46 1dxr s VAL 26 Ca 0.24 -1.95 0.00 0.00 0.00 0.00 0.00 61.98 60.28 1dxr s VAL 26 Cb -0.11 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 33.85 1dxr s VAL 26 CO 0.17 -0.33 0.00 0.61 0.00 0.00 0.00 175.10 175.54 1dxr n GLY 27 N 4.37 2.80 0.11 4.51 0.00 -1.26 -1.84 105.19 113.88 1dxr n GLY 27 Ca -0.05 -0.25 0.13 0.00 0.00 0.00 0.00 46.02 45.85 1dxr n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dxr h PRO 28 N 0.00 0.00 -6.13 1.61 0.13 -1.95 -3.46 132.00 122.19 1dxr h PRO 28 Ca 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.58 1dxr h PRO 28 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 1dxr h PRO 28 CO 0.00 0.00 0.17 0.71 -0.23 0.00 0.00 178.00 178.65 1dxr s TYR 29 N -3.12 3.59 0.37 1.56 2.02 -0.77 -5.04 117.35 115.97 1dxr s TYR 29 Ca 0.10 1.37 -0.26 0.00 -0.37 0.00 0.00 57.07 57.91 1dxr s TYR 29 Cb 0.12 -2.90 -0.09 0.00 -0.40 0.00 0.00 41.96 38.69 1dxr s TYR 29 CO 0.62 0.05 1.13 0.12 -1.57 0.00 0.00 175.55 175.90 1dxr s PHE 30 N 0.90 3.24 0.00 2.71 5.36 -1.26 -0.66 117.98 128.27 1dxr s PHE 30 Ca 0.42 1.61 0.00 0.00 -0.96 0.00 0.00 56.93 57.99 1dxr s PHE 30 Cb -0.19 -3.32 0.00 0.00 -0.34 0.00 0.00 43.02 39.18 1dxr s PHE 30 CO 0.21 -0.99 0.00 0.28 -1.46 0.00 0.00 175.22 173.26 1dxr n VAL 31 N 0.35 0.00 -0.41 3.12 0.31 -0.14 -4.86 118.33 116.69 1dxr n VAL 31 Ca 0.03 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.41 1dxr n VAL 31 Cb 0.47 -0.51 -0.02 0.00 -0.91 0.00 0.00 33.84 32.86 1dxr n VAL 31 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1dxr n GLY 32 N 2.83 -2.47 0.35 2.92 0.00 0.69 -2.30 105.19 107.22 1dxr n GLY 32 Ca 0.00 -1.36 0.05 0.00 0.00 0.00 0.00 46.02 44.71 1dxr n GLY 32 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1dxr h PHE 33 N -0.40 0.80 0.00 1.61 3.57 -1.80 -2.30 116.94 118.42 1dxr h PHE 33 Ca -0.04 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1dxr h PHE 33 Cb 0.39 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.86 1dxr h PHE 33 CO 0.01 0.44 0.00 0.74 -2.23 0.00 0.00 178.31 177.27 1dxr h PHE 34 N 0.81 0.00 -0.40 0.41 0.04 -1.89 -1.07 116.94 114.84 1dxr h PHE 34 Ca 0.31 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.94 1dxr h PHE 34 Cb 0.19 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 1dxr h PHE 34 CO -0.00 0.00 -0.29 0.78 -0.60 0.00 0.00 178.31 178.20 1dxr h GLY 35 N 4.10 0.98 0.91 -1.45 0.00 -1.00 -0.07 103.07 106.54 1dxr h GLY 35 Ca 0.00 -0.95 -0.01 0.00 0.00 0.00 0.00 47.33 46.37 1dxr h GLY 35 CO 0.00 0.86 0.10 -2.08 0.00 0.00 0.00 176.54 175.42 1dxr h VAL 36 N 0.72 1.16 -0.07 4.60 2.07 -1.13 -1.17 116.25 122.44 1dxr h VAL 36 Ca 0.08 -0.48 -0.14 0.00 0.82 0.00 0.00 66.70 66.98 1dxr h VAL 36 Cb 0.87 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1dxr h VAL 36 CO 0.08 0.16 -0.57 0.77 0.02 0.00 0.00 177.57 178.03 1dxr h SER 37 N 0.25 0.24 -0.10 0.57 4.64 -1.24 -1.33 113.55 116.57 1dxr h SER 37 Ca 0.08 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1dxr h SER 37 Cb 0.16 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1dxr h SER 37 CO -0.01 0.75 0.06 0.00 -0.87 0.00 0.00 176.83 176.77 1dxr h ALA 38 N 1.25 0.13 -0.65 5.18 0.00 -0.89 -1.49 119.26 122.79 1dxr h ALA 38 Ca -0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1dxr h ALA 38 Cb 1.05 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1dxr h ALA 38 CO 0.09 -0.39 0.20 0.82 0.00 0.00 0.00 179.25 179.96 1dxr h ILE 39 N 0.13 1.25 -0.34 0.00 1.08 -1.04 -0.27 117.51 118.32 1dxr h ILE 39 Ca 0.04 -0.87 0.06 0.00 -0.39 0.00 0.00 64.86 63.70 1dxr h ILE 39 Cb -0.01 0.58 -0.05 0.00 -3.07 0.00 0.00 36.82 34.27 1dxr h ILE 39 CO -0.02 0.33 0.02 0.15 -0.69 0.00 0.00 178.15 177.95 1dxr h PHE 40 N 0.95 0.02 -0.17 1.37 3.57 -1.02 -0.70 116.94 120.97 1dxr h PHE 40 Ca 0.21 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.56 1dxr h PHE 40 Cb 0.30 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 1dxr h PHE 40 CO 0.02 -0.04 -0.62 0.74 -2.23 0.00 0.00 178.31 176.19 1dxr h PHE 41 N 0.12 0.74 -0.18 0.41 0.04 -0.91 -1.47 116.94 115.69 1dxr h PHE 41 Ca 0.16 -0.28 -0.01 0.00 2.80 0.00 0.00 57.97 60.64 1dxr h PHE 41 Cb 0.21 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 1dxr h PHE 41 CO -0.22 1.04 0.08 0.82 -0.60 0.00 0.00 178.31 179.43 1dxr h ILE 42 N 0.43 1.14 -0.26 -0.55 2.04 -0.89 0.46 117.51 119.88 1dxr h ILE 42 Ca -0.01 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 1dxr h ILE 42 Cb 1.18 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 1dxr h ILE 42 CO 0.12 0.13 0.13 0.15 0.00 0.00 0.00 178.15 178.68 1dxr h PHE 43 N 0.16 0.37 0.12 1.37 3.57 -1.04 0.29 116.94 121.79 1dxr h PHE 43 Ca 0.06 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1dxr h PHE 43 Cb 0.13 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1dxr h PHE 43 CO -0.02 0.35 -0.12 -0.07 -2.23 0.00 0.00 178.31 176.22 1dxr h LEU 44 N 0.29 -0.31 -0.78 0.59 4.07 -1.26 -0.88 115.31 117.03 1dxr h LEU 44 Ca 0.09 0.03 -0.03 0.00 0.08 0.00 0.00 57.88 58.05 1dxr h LEU 44 Cb 0.11 0.11 -0.04 0.00 1.08 0.00 0.00 40.66 41.93 1dxr h LEU 44 CO -0.01 -0.18 0.35 1.23 -1.08 0.00 0.00 178.44 178.75 1dxr h GLY 45 N -0.26 1.22 1.85 0.83 0.00 -0.19 -0.38 103.07 106.14 1dxr h GLY 45 Ca 0.00 -0.63 -0.12 0.00 0.00 0.00 0.00 47.33 46.58 1dxr h GLY 45 CO -0.03 0.60 -0.53 -2.08 0.00 0.00 0.00 176.54 174.50 1dxr h VAL 46 N 1.11 1.37 -0.40 4.60 2.07 -0.39 -0.94 116.25 123.66 1dxr h VAL 46 Ca 0.27 -1.81 -0.06 0.00 0.82 0.00 0.00 66.70 65.91 1dxr h VAL 46 Cb 0.16 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1dxr h VAL 46 CO -0.03 0.53 0.02 0.28 0.02 0.00 0.00 177.57 178.40 1dxr h SER 47 N 0.12 0.67 -0.62 0.57 0.02 -0.61 -1.72 113.55 111.99 1dxr h SER 47 Ca 0.00 -0.29 -0.04 0.00 -0.84 0.00 0.00 61.79 60.62 1dxr h SER 47 Cb 0.98 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.31 1dxr h SER 47 CO 0.08 0.79 0.25 -0.07 -1.14 0.00 0.00 176.83 176.74 1dxr h LEU 48 N 0.52 0.88 -0.30 5.07 3.38 -0.66 -1.36 115.31 122.84 1dxr h LEU 48 Ca 0.12 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1dxr h LEU 48 Cb 0.44 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1dxr h LEU 48 CO 0.02 0.79 0.13 0.40 0.09 0.00 0.00 178.44 179.86 1dxr h ILE 49 N 0.94 1.17 -0.19 1.22 2.04 -0.97 0.09 117.51 121.80 1dxr h ILE 49 Ca 0.22 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1dxr h ILE 49 Cb 0.20 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1dxr h ILE 49 CO -0.02 0.18 0.08 1.23 0.00 0.00 0.00 178.15 179.63 1dxr h GLY 50 N 0.34 0.30 0.86 5.37 0.00 -1.05 0.26 103.07 109.15 1dxr h GLY 50 Ca 0.10 -0.16 0.01 0.00 0.00 0.00 0.00 47.33 47.28 1dxr h GLY 50 CO -0.01 0.15 -0.05 -1.82 0.00 0.00 0.00 176.54 174.81 1dxr h TYR 51 N 0.17 -0.13 -0.36 5.60 3.20 -1.24 0.46 116.97 124.67 1dxr h TYR 51 Ca 0.06 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.98 1dxr h TYR 51 Cb 0.15 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.44 1dxr h TYR 51 CO -0.02 -0.08 0.13 0.00 -1.64 0.00 0.00 178.16 176.55 1dxr h ALA 52 N 0.91 0.42 -0.13 1.82 0.00 -0.76 -2.31 119.26 119.21 1dxr h ALA 52 Ca 0.02 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1dxr h ALA 52 Cb 0.12 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1dxr h ALA 52 CO -0.06 -0.27 -0.21 0.00 0.00 0.00 0.00 179.25 178.72 1dxr h ALA 53 N 1.23 1.41 -0.13 0.00 0.00 -0.12 -1.61 119.26 120.04 1dxr h ALA 53 Ca 0.16 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1dxr h ALA 53 Cb 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1dxr h ALA 53 CO -0.17 0.41 -0.37 0.66 0.00 0.00 0.00 179.25 179.78 1dxr h SER 54 N 0.21 0.27 0.32 0.00 4.64 -0.39 -1.49 113.55 117.11 1dxr h SER 54 Ca 0.04 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1dxr h SER 54 Cb 0.49 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1dxr h SER 54 CO 0.03 0.63 0.00 0.00 -0.87 0.00 0.00 176.83 176.62 1dxr n GLN 55 N -4.06 0.38 -3.02 4.77 1.13 -0.62 -4.85 117.38 111.11 1dxr n GLN 55 Ca -0.01 0.07 -0.19 0.00 -1.94 0.00 0.00 57.00 54.93 1dxr n GLN 55 Cb 0.45 -1.50 0.03 0.00 0.11 0.00 0.00 30.24 29.34 1dxr n GLN 55 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1dxr n GLY 56 N 0.48 2.34 0.01 1.08 0.00 -0.56 -5.04 105.19 103.50 1dxr n GLY 56 Ca 0.11 -2.24 0.13 0.00 0.00 0.00 0.00 46.02 44.03 1dxr n GLY 56 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1dxr n PRO 57 N -1.85 0.04 -4.00 1.61 -0.04 -1.26 -4.89 135.00 124.61 1dxr n PRO 57 Ca 0.07 0.03 -0.09 0.00 -0.04 0.00 0.00 63.50 63.47 1dxr n PRO 57 Cb 0.51 -1.54 -0.11 0.00 -0.04 0.00 0.00 33.50 32.33 1dxr n PRO 57 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1dxr s THR 58 N -3.02 0.14 0.00 0.52 -1.32 -1.26 -5.00 115.64 105.70 1dxr s THR 58 Ca 0.13 -1.16 0.00 0.00 -1.21 0.00 0.00 61.69 59.44 1dxr s THR 58 Cb 0.18 -0.66 0.00 0.00 -1.51 0.00 0.00 72.50 70.51 1dxr s THR 58 CO 0.57 -0.64 0.59 0.79 -2.21 0.00 0.00 174.62 173.72 1dxr n TRP 59 N 1.13 0.00 -1.95 9.09 7.02 -1.26 -4.84 117.44 126.63 1dxr n TRP 59 Ca -0.21 -0.14 -0.42 0.00 -1.02 0.00 0.00 57.50 55.71 1dxr n TRP 59 Cb 0.57 -0.01 -0.03 0.00 -2.42 0.00 0.00 31.31 29.42 1dxr n TRP 59 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1dxr s ASP 60 N -0.28 6.62 0.45 -0.99 2.15 -1.26 -4.90 116.67 118.47 1dxr s ASP 60 Ca 0.00 2.43 0.18 0.00 0.43 0.00 0.00 52.55 55.60 1dxr s ASP 60 Cb 0.00 -2.56 1.06 0.00 -0.30 0.00 0.00 42.92 41.12 1dxr s ASP 60 CO 0.00 -0.89 1.96 1.55 -0.17 0.00 0.00 175.17 177.63 1dxr h PRO 61 N 8.53 0.00 0.00 4.34 0.13 -1.96 -0.61 132.00 142.43 1dxr h PRO 61 Ca -0.42 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.63 1dxr h PRO 61 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1dxr h PRO 61 CO 0.93 0.22 -0.37 0.74 -0.23 0.00 0.00 178.00 179.30 1dxr h PHE 62 N 0.00 0.00 0.00 1.56 0.04 -2.00 -3.34 116.94 113.20 1dxr h PHE 62 Ca -0.00 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.64 1dxr h PHE 62 Cb 0.44 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.57 1dxr h PHE 62 CO 0.00 0.37 -2.06 0.00 -0.60 0.00 0.00 178.31 176.01 1dxr n ALA 63 N -2.27 2.30 -1.72 2.45 0.00 -0.41 -3.52 120.51 117.33 1dxr n ALA 63 Ca 0.00 -0.76 -0.41 0.00 0.00 0.00 0.00 53.44 52.27 1dxr n ALA 63 Cb 0.52 -0.49 0.01 0.00 0.00 0.00 0.00 19.45 19.50 1dxr n ALA 63 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1dxr n ILE 64 N -2.39 2.66 -3.66 0.00 5.41 -0.37 -4.93 119.36 116.08 1dxr n ILE 64 Ca -0.14 -0.50 -0.06 0.00 1.00 0.00 0.00 62.75 63.05 1dxr n ILE 64 Cb 0.74 -1.67 -0.07 0.00 -0.71 0.00 0.00 39.64 37.93 1dxr n ILE 64 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1dxr s SER 65 N -0.51 -0.81 -0.32 4.38 0.15 -1.26 -4.17 113.70 111.16 1dxr s SER 65 Ca 0.61 1.33 -0.05 0.00 0.70 0.00 0.00 55.95 58.54 1dxr s SER 65 Cb -0.49 1.57 0.04 0.00 -1.71 0.00 0.00 66.02 65.43 1dxr s SER 65 CO 0.58 -0.22 0.06 -0.63 1.20 0.00 0.00 173.24 174.23 1dxr s ILE 66 N 2.18 3.53 0.14 6.45 1.01 -0.02 -4.96 121.20 129.53 1dxr s ILE 66 Ca -0.07 -1.15 0.06 0.00 0.00 0.00 0.00 60.65 59.48 1dxr s ILE 66 Cb -0.09 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 1dxr s ILE 66 CO -0.17 -0.11 0.03 0.20 0.00 0.00 0.00 174.94 174.88 1dxr s ASN 67 N 1.37 5.01 1.18 3.58 -0.87 -1.26 -0.78 114.94 123.17 1dxr s ASN 67 Ca -0.02 -0.26 -0.17 0.00 -1.57 0.00 0.00 52.86 50.83 1dxr s ASN 67 Cb -0.19 -1.16 0.28 0.00 -0.02 0.00 0.00 41.25 40.15 1dxr s ASN 67 CO 0.01 0.12 1.07 -2.16 -2.57 0.00 0.00 177.10 173.57 1dxr s PRO 68 N -2.73 -1.06 0.86 -0.60 0.04 -1.26 -3.93 135.00 126.31 1dxr s PRO 68 Ca 0.27 0.18 -0.12 0.00 0.04 0.00 0.00 61.00 61.38 1dxr s PRO 68 Cb -0.10 -1.59 0.11 0.00 0.04 0.00 0.00 34.50 32.95 1dxr s PRO 68 CO 0.19 -3.65 1.10 -1.25 0.04 0.00 0.00 177.00 173.43 1dxr s PRO 69 N -5.16 1.58 0.79 0.56 0.04 -1.26 -4.45 135.00 127.09 1dxr s PRO 69 Ca 0.69 0.59 -0.15 0.00 0.04 0.00 0.00 61.00 62.17 1dxr s PRO 69 Cb -0.14 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.56 1dxr s PRO 69 CO 0.58 -1.96 0.85 -0.25 0.04 0.00 0.00 177.00 176.25 1dxr n ASP 70 N -3.66 -0.14 -0.21 6.66 8.00 -1.26 -3.95 116.55 121.98 1dxr n ASP 70 Ca 0.07 0.57 0.07 0.00 0.71 0.00 0.00 54.79 56.21 1dxr n ASP 70 Cb 0.57 -1.36 0.34 0.00 -0.02 0.00 0.00 41.12 40.65 1dxr n ASP 70 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1dxr h LEU 71 N -0.70 0.69 -2.18 0.64 3.38 -1.95 -2.66 115.31 112.53 1dxr h LEU 71 Ca -0.46 0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.58 1dxr h LEU 71 Cb 1.32 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1dxr h LEU 71 CO 0.44 0.43 0.26 0.07 0.09 0.00 0.00 178.44 179.72 1dxr h LYS 72 N 0.78 0.00 0.00 1.13 2.10 -1.98 0.12 116.57 118.72 1dxr h LYS 72 Ca 0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.00 1dxr h LYS 72 Cb 0.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 1dxr h LYS 72 CO -0.13 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 177.98 1dxr n TYR 73 N -3.71 0.00 -1.77 0.07 4.01 -1.00 -4.96 117.16 109.80 1dxr n TYR 73 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1dxr n TYR 73 Cb 0.38 -0.35 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 1dxr n TYR 73 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1dxr n GLY 74 N 0.55 3.08 1.70 2.72 0.00 0.43 -1.64 105.19 112.03 1dxr n GLY 74 Ca 0.09 -0.20 0.03 0.00 0.00 0.00 0.00 46.02 45.94 1dxr n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dxr n LEU 75 N 0.00 5.44 -5.01 0.99 4.77 -1.24 -2.18 117.00 119.77 1dxr n LEU 75 Ca 0.00 -3.09 -0.22 0.00 -0.03 0.00 0.00 56.01 52.67 1dxr n LEU 75 Cb 0.00 -0.68 0.09 0.00 -2.33 0.00 0.00 43.42 40.50 1dxr n LEU 75 CO 0.00 0.73 0.47 -0.83 -1.33 0.00 0.00 177.39 176.43 1dxr s GLY 76 N -1.18 1.75 0.25 -0.72 0.00 -0.65 -4.93 107.32 101.83 1dxr s GLY 76 Ca 0.52 -1.92 -0.30 0.00 0.00 0.00 0.00 44.72 43.02 1dxr s GLY 76 CO 0.13 -1.38 1.06 0.00 0.00 0.00 0.00 173.10 172.91 1dxr s ALA 77 N -2.96 3.38 0.23 3.20 0.00 -1.26 -4.97 121.76 119.38 1dxr s ALA 77 Ca 0.65 0.82 0.07 0.00 0.00 0.00 0.00 51.96 53.49 1dxr s ALA 77 Cb -0.05 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 1dxr s ALA 77 CO 0.42 -0.09 0.13 0.00 0.00 0.00 0.00 175.76 176.23 1dxr s ALA 78 N -0.97 3.48 0.42 0.00 0.00 -1.26 -5.06 121.76 118.37 1dxr s ALA 78 Ca 0.45 -1.41 -0.25 0.00 0.00 0.00 0.00 51.96 50.75 1dxr s ALA 78 Cb -0.30 -1.20 -0.10 0.00 0.00 0.00 0.00 23.12 21.52 1dxr s ALA 78 CO 0.38 0.33 1.14 -2.30 0.00 0.00 0.00 175.76 175.30 1dxr n PRO 79 N -0.86 1.61 -0.23 0.00 -0.02 -1.26 -3.82 135.00 130.42 1dxr n PRO 79 Ca -0.08 0.58 -0.01 0.00 -2.02 0.00 0.00 63.50 61.97 1dxr n PRO 79 Cb 0.57 -2.21 0.06 0.00 -0.02 0.00 0.00 33.50 31.90 1dxr n PRO 79 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1dxr h LEU 80 N 1.77 -0.79 -0.54 2.45 5.85 -1.93 0.25 115.31 122.37 1dxr h LEU 80 Ca -0.46 0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 1dxr h LEU 80 Cb 1.32 0.47 -0.01 0.00 0.37 0.00 0.00 40.66 42.82 1dxr h LEU 80 CO 0.58 -0.25 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.17 1dxr h LEU 81 N -0.04 0.00 -3.96 2.25 3.38 -1.94 0.27 115.31 115.26 1dxr h LEU 81 Ca 0.31 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.66 1dxr h LEU 81 Cb 0.53 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 40.92 1dxr h LEU 81 CO -0.72 0.19 0.08 -0.62 0.09 0.00 0.00 178.44 177.46 1dxr n GLU 82 N -3.21 3.13 0.00 1.13 1.02 0.66 -4.77 120.64 118.61 1dxr n GLU 82 Ca 0.02 -3.74 0.00 0.00 -0.02 0.00 0.00 57.16 53.42 1dxr n GLU 82 Cb 0.52 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.66 1dxr n GLU 82 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dxr n GLY 83 N -0.79 1.42 0.27 0.62 0.00 -1.09 -4.11 105.19 101.50 1dxr n GLY 83 Ca 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.45 1dxr n GLY 83 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1dxr h GLY 84 N 0.00 0.95 0.89 -0.02 0.00 -0.51 -1.22 103.07 103.16 1dxr h GLY 84 Ca 0.00 -0.89 0.02 0.00 0.00 0.00 0.00 47.33 46.46 1dxr h GLY 84 CO 0.00 0.80 0.22 0.74 0.00 0.00 0.00 176.54 178.30 1dxr h PHE 85 N 0.74 0.41 -0.77 5.60 0.04 -0.71 -1.87 116.94 120.38 1dxr h PHE 85 Ca 0.08 0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.91 1dxr h PHE 85 Cb 0.85 -0.13 -0.05 0.00 2.20 0.00 0.00 35.95 38.82 1dxr h PHE 85 CO 0.05 0.24 0.47 2.35 -0.60 0.00 0.00 178.31 180.82 1dxr h TRP 86 N 0.45 0.88 -0.70 -0.55 7.01 -1.68 0.31 115.95 121.66 1dxr h TRP 86 Ca 0.16 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 61.13 1dxr h TRP 86 Cb 0.02 -0.28 -0.03 0.00 -2.10 0.00 0.00 29.16 26.77 1dxr h TRP 86 CO -0.08 0.47 0.22 1.96 -2.79 0.00 0.00 178.44 178.22 1dxr h GLN 87 N 0.89 1.09 -0.22 2.65 4.20 -0.79 -1.57 115.11 121.36 1dxr h GLN 87 Ca 0.32 -0.23 -0.06 0.00 0.06 0.00 0.00 58.65 58.74 1dxr h GLN 87 Cb 0.10 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1dxr h GLN 87 CO -0.15 0.94 -0.09 0.00 -0.67 0.00 0.00 178.83 178.86 1dxr h ALA 88 N 1.10 0.31 -0.71 3.87 0.00 -0.73 -2.78 119.26 120.33 1dxr h ALA 88 Ca 0.23 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1dxr h ALA 88 Cb 0.30 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1dxr h ALA 88 CO -0.01 0.14 0.47 0.82 0.00 0.00 0.00 179.25 180.67 1dxr h ILE 89 N 0.17 1.14 -0.77 0.00 2.04 -0.75 -1.81 117.51 117.52 1dxr h ILE 89 Ca 0.05 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 1dxr h ILE 89 Cb 0.58 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 1dxr h ILE 89 CO 0.03 0.16 0.39 0.74 0.00 0.00 0.00 178.15 179.47 1dxr h THR 90 N 0.90 1.24 -0.51 -0.27 2.02 -1.08 0.21 112.91 115.42 1dxr h THR 90 Ca 0.27 -0.65 -0.04 0.00 0.77 0.00 0.00 66.41 66.76 1dxr h THR 90 Cb -0.01 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 66.63 1dxr h THR 90 CO -0.07 0.28 0.15 0.58 0.37 0.00 0.00 175.52 176.83 1dxr h VAL 91 N 1.08 1.23 -0.37 3.16 2.07 -1.19 -0.73 116.25 121.51 1dxr h VAL 91 Ca 0.27 -0.80 -0.09 0.00 0.82 0.00 0.00 66.70 66.89 1dxr h VAL 91 Cb 0.09 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1dxr h VAL 91 CO -0.04 0.29 -0.14 0.00 0.02 0.00 0.00 177.57 177.70 1dxr h ALA 93 N 1.23 -0.32 -0.66 0.00 0.00 -0.36 0.48 119.26 119.64 1dxr h ALA 93 Ca 0.10 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1dxr h ALA 93 Cb 0.59 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1dxr h ALA 93 CO 0.04 -0.67 0.37 -0.07 0.00 0.00 0.00 179.25 178.92 1dxr h LEU 94 N -0.34 0.55 -0.55 0.00 3.38 -0.99 -0.45 115.31 116.91 1dxr h LEU 94 Ca -0.03 0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1dxr h LEU 94 Cb 0.26 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1dxr h LEU 94 CO 0.05 0.36 0.36 1.23 0.09 0.00 0.00 178.44 180.54 1dxr h GLY 95 N 0.69 0.77 0.92 0.83 0.00 -0.94 -1.45 103.07 103.90 1dxr h GLY 95 Ca 0.29 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1dxr h GLY 95 CO -0.17 0.28 0.12 0.00 0.00 0.00 0.00 176.54 176.77 1dxr h ALA 96 N 1.20 0.45 -0.11 3.60 0.00 -0.40 -2.15 119.26 121.85 1dxr h ALA 96 Ca 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1dxr h ALA 96 Cb -0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1dxr h ALA 96 CO -0.05 0.07 0.04 0.74 0.00 0.00 0.00 179.25 180.05 1dxr h PHE 97 N 0.41 0.17 -0.64 0.00 0.04 -0.83 -1.06 116.94 115.02 1dxr h PHE 97 Ca 0.11 -0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.79 1dxr h PHE 97 Cb 0.22 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.30 1dxr h PHE 97 CO 0.00 0.29 0.10 0.82 -0.60 0.00 0.00 178.31 178.92 1dxr h ILE 98 N -0.01 1.26 -0.65 -0.55 2.04 -1.31 -0.95 117.51 117.35 1dxr h ILE 98 Ca 0.03 -1.04 0.04 0.00 1.00 0.00 0.00 64.86 64.89 1dxr h ILE 98 Cb 0.20 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 1dxr h ILE 98 CO -0.00 0.39 0.39 0.28 0.00 0.00 0.00 178.15 179.20 1dxr h SER 99 N 0.99 0.61 -0.88 1.72 0.02 -1.35 -0.36 113.55 114.30 1dxr h SER 99 Ca 0.19 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.17 1dxr h SER 99 Cb 0.45 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.83 1dxr h SER 99 CO 0.01 0.42 0.59 -0.25 -1.14 0.00 0.00 176.83 176.46 1dxr h TRP 100 N 0.74 1.11 -0.34 3.45 2.91 -0.77 0.43 115.95 123.49 1dxr h TRP 100 Ca 0.27 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.29 1dxr h TRP 100 Cb 0.08 -0.38 -0.01 0.00 -0.51 0.00 0.00 29.16 28.34 1dxr h TRP 100 CO -0.06 0.70 0.09 1.98 -1.03 0.00 0.00 178.44 180.12 1dxr h MET 101 N 1.19 0.53 -0.09 2.65 4.05 -0.49 -2.30 114.93 120.48 1dxr h MET 101 Ca 0.33 -0.12 -0.14 0.00 -0.28 0.00 0.00 59.70 59.48 1dxr h MET 101 Cb -0.13 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.58 1dxr h MET 101 CO -0.07 0.58 -0.56 -0.07 0.23 0.00 0.00 176.91 177.02 1dxr h LEU 102 N 0.39 0.32 -0.99 3.39 3.38 -0.75 -1.70 115.31 119.35 1dxr h LEU 102 Ca 0.11 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1dxr h LEU 102 Cb 0.28 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1dxr h LEU 102 CO -0.00 0.81 0.65 -0.09 0.09 0.00 0.00 178.44 179.90 1dxr h ARG 103 N 0.22 1.29 -0.31 1.13 2.43 -0.84 -2.20 114.38 116.09 1dxr h ARG 103 Ca 0.00 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 1dxr h ARG 103 Cb 1.05 -0.29 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 1dxr h ARG 103 CO 0.09 0.85 0.13 0.93 -1.51 0.00 0.00 179.97 180.46 1dxr h GLU 104 N 1.33 0.43 -0.32 0.20 5.08 -0.72 -1.80 114.58 118.78 1dxr h GLU 104 Ca 0.37 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.64 1dxr h GLU 104 Cb -0.14 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 1dxr h GLU 104 CO -0.08 0.36 0.03 0.28 -1.00 0.00 0.00 179.01 178.59 1dxr h VAL 105 N 0.44 1.24 -0.82 3.13 2.07 -1.11 -0.99 116.25 120.21 1dxr h VAL 105 Ca 0.11 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1dxr h VAL 105 Cb 0.08 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1dxr h VAL 105 CO -0.01 0.28 0.48 -0.33 0.02 0.00 0.00 177.57 178.01 1dxr h GLU 106 N 0.35 1.12 -0.32 1.57 5.08 -1.16 0.00 114.58 121.24 1dxr h GLU 106 Ca 0.09 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1dxr h GLU 106 Cb 0.38 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1dxr h GLU 106 CO 0.01 0.80 0.12 0.82 -1.00 0.00 0.00 179.01 179.77 1dxr h ILE 107 N 1.13 1.19 -0.22 3.13 2.04 -1.27 -1.81 117.51 121.70 1dxr h ILE 107 Ca 0.29 -0.58 0.05 0.00 1.00 0.00 0.00 64.86 65.63 1dxr h ILE 107 Cb -0.02 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 1dxr h ILE 107 CO -0.05 0.20 -0.11 0.28 0.00 0.00 0.00 178.15 178.47 1dxr h SER 108 N 0.36 -0.37 -0.35 1.72 0.02 -0.85 -2.62 113.55 111.47 1dxr h SER 108 Ca 0.11 0.09 0.03 0.00 -0.84 0.00 0.00 61.79 61.17 1dxr h SER 108 Cb 0.19 0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 1dxr h SER 108 CO -0.01 -0.15 0.17 0.03 -1.14 0.00 0.00 176.83 175.74 1dxr h ARG 109 N -0.09 0.34 0.00 3.45 3.08 -0.84 -1.97 114.38 118.36 1dxr h ARG 109 Ca 0.12 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1dxr h ARG 109 Cb 0.27 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 1dxr h ARG 109 CO -0.28 0.23 -0.05 -0.22 -1.07 0.00 0.00 179.97 178.58 1dxr h LYS 110 N 0.35 0.00 -0.00 0.04 3.64 -1.07 -2.13 116.57 117.39 1dxr h LYS 110 Ca 0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1dxr h LYS 110 Cb 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1dxr h LYS 110 CO -0.10 0.05 -0.46 1.28 -2.27 0.00 0.00 179.45 177.94 1dxr n LEU 111 N -4.38 0.85 -0.86 5.20 4.77 -0.82 -4.93 117.00 116.82 1dxr n LEU 111 Ca -0.03 -0.20 -0.08 0.00 -0.03 0.00 0.00 56.01 55.67 1dxr n LEU 111 Cb 0.13 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.05 1dxr n LEU 111 CO 0.34 0.18 -0.10 0.61 -1.33 0.00 0.00 177.39 177.09 1dxr n GLY 112 N 1.44 0.30 3.71 -0.72 0.00 -0.80 -5.03 105.19 104.09 1dxr n GLY 112 Ca 0.08 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 1dxr n GLY 112 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1dxr s ILE 113 N -2.38 2.78 0.97 -0.61 -4.36 -0.94 -5.04 121.20 111.61 1dxr s ILE 113 Ca 0.00 -1.77 -0.11 0.00 -0.26 0.00 0.00 60.65 58.51 1dxr s ILE 113 Cb 0.00 -2.93 0.18 0.00 1.25 0.00 0.00 42.46 40.96 1dxr s ILE 113 CO 0.00 -0.15 1.10 -0.83 0.24 0.00 0.00 174.94 175.30 1dxr s GLY 114 N -3.82 1.64 -0.28 6.27 0.00 -1.26 -4.48 107.32 105.39 1dxr s GLY 114 Ca 0.38 0.30 0.06 0.00 0.00 0.00 0.00 44.72 45.46 1dxr s GLY 114 CO 0.22 0.81 1.60 0.79 0.00 0.00 0.00 173.10 176.52 1dxr n TRP 115 N -4.35 2.04 0.03 1.90 7.02 -1.26 -4.59 117.44 118.23 1dxr n TRP 115 Ca 0.09 -1.13 -0.01 0.00 -1.02 0.00 0.00 57.50 55.43 1dxr n TRP 115 Cb 0.53 -0.63 0.27 0.00 -2.42 0.00 0.00 31.31 29.06 1dxr n TRP 115 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1dxr h HIS 116 N 1.72 0.47 -0.02 -5.99 3.86 -1.99 -2.70 115.15 110.50 1dxr h HIS 116 Ca 0.29 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.42 1dxr h HIS 116 Cb 2.11 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 30.45 1dxr h HIS 116 CO 1.07 0.57 -0.01 0.28 0.86 0.00 0.00 177.93 180.69 1dxr h VAL 117 N 0.40 1.37 -0.40 2.45 2.07 -1.97 0.07 116.25 120.25 1dxr h VAL 117 Ca 0.07 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 1dxr h VAL 117 Cb 0.49 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 1dxr h VAL 117 CO 0.03 0.30 0.21 1.55 0.02 0.00 0.00 177.57 179.67 1dxr h PRO 118 N -0.42 0.55 -0.03 1.57 0.13 -1.85 -0.15 132.00 131.80 1dxr h PRO 118 Ca 0.00 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 65.09 1dxr h PRO 118 Cb 0.49 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.50 1dxr h PRO 118 CO 0.00 0.42 -0.01 1.25 -0.23 0.00 0.00 178.00 179.43 1dxr h LEU 119 N 0.56 -0.03 -1.40 1.56 5.85 -1.42 -1.91 115.31 118.51 1dxr h LEU 119 Ca 0.14 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.92 1dxr h LEU 119 Cb 0.04 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 1dxr h LEU 119 CO -0.02 -0.01 0.44 0.00 -0.34 0.00 0.00 178.44 178.51 1dxr h ALA 120 N 1.02 1.67 0.00 1.25 0.00 0.18 -2.64 119.26 120.74 1dxr h ALA 120 Ca 0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1dxr h ALA 120 Cb 0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1dxr h ALA 120 CO -0.03 0.25 -0.01 0.35 0.00 0.00 0.00 179.25 179.81 1dxr h PHE 121 N 0.76 0.00 0.00 0.00 3.57 -0.49 -2.35 116.94 118.43 1dxr h PHE 121 Ca 0.28 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 1dxr h PHE 121 Cb 0.14 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 1dxr h PHE 121 CO -0.00 0.01 -0.06 0.00 -2.23 0.00 0.00 178.31 176.02 1dxr h VAL 123 N 0.00 1.24 -0.28 0.00 2.07 -1.55 0.86 116.25 118.59 1dxr h VAL 123 Ca -0.00 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.77 1dxr h VAL 123 Cb 0.13 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1dxr h VAL 123 CO 0.01 0.19 -0.01 1.55 0.02 0.00 0.00 177.57 179.32 1dxr h PRO 124 N -0.24 0.42 -0.60 1.57 0.13 -1.73 -1.71 132.00 129.85 1dxr h PRO 124 Ca 0.01 -0.08 -0.06 0.00 -0.87 0.00 0.00 66.00 65.00 1dxr h PRO 124 Cb 0.30 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.35 1dxr h PRO 124 CO 0.00 0.46 0.15 0.82 -0.23 0.00 0.00 178.00 179.20 1dxr h ILE 125 N 0.40 1.25 -0.12 -3.56 2.04 -1.40 -1.27 117.51 114.85 1dxr h ILE 125 Ca 0.09 -0.90 0.01 0.00 1.00 0.00 0.00 64.86 65.06 1dxr h ILE 125 Cb 0.29 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1dxr h ILE 125 CO 0.01 0.34 0.04 0.15 0.00 0.00 0.00 178.15 178.68 1dxr h PHE 126 N 0.87 0.07 -0.99 1.37 3.57 -0.52 -1.69 116.94 119.61 1dxr h PHE 126 Ca 0.19 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.72 1dxr h PHE 126 Cb 0.35 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.02 1dxr h PHE 126 CO 0.02 0.03 0.65 1.98 -2.23 0.00 0.00 178.31 178.77 1dxr h MET 127 N 0.10 1.26 -0.82 1.11 4.05 -1.08 0.81 114.93 120.35 1dxr h MET 127 Ca 0.05 -0.08 0.04 0.00 -0.28 0.00 0.00 59.70 59.43 1dxr h MET 127 Cb 0.03 -0.28 -0.05 0.00 -0.80 0.00 0.00 31.60 30.50 1dxr h MET 127 CO -0.06 0.83 0.52 0.35 0.23 0.00 0.00 176.91 178.79 1dxr h PHE 128 N 1.30 0.97 -0.28 1.39 3.57 -0.88 -1.83 116.94 121.19 1dxr h PHE 128 Ca 0.38 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.81 1dxr h PHE 128 Cb -0.07 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.34 1dxr h PHE 128 CO -0.00 0.55 -0.24 0.00 -2.23 0.00 0.00 178.31 176.39 1dxr h VAL 130 N 0.47 1.13 -0.17 0.00 2.07 -0.19 0.21 116.25 119.77 1dxr h VAL 130 Ca 0.07 -0.29 -0.12 0.00 0.82 0.00 0.00 66.70 67.17 1dxr h VAL 130 Cb 0.66 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1dxr h VAL 130 CO 0.05 0.13 -0.38 -0.07 0.02 0.00 0.00 177.57 177.32 1dxr h LEU 131 N 0.54 0.63 0.00 2.57 3.38 -1.09 -1.58 115.31 119.76 1dxr h LEU 131 Ca 0.15 -0.56 -0.25 0.00 0.09 0.00 0.00 57.88 57.30 1dxr h LEU 131 Cb -0.01 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 1dxr h LEU 131 CO -0.03 1.08 -2.11 0.00 0.09 0.00 0.00 178.44 177.46 1dxr n GLN 132 N -4.29 0.67 0.01 1.13 1.13 -0.43 -4.43 117.38 111.17 1dxr n GLN 132 Ca -0.06 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 54.98 1dxr n GLN 132 Cb 0.52 -1.58 -0.01 0.00 0.11 0.00 0.00 30.24 29.28 1dxr n GLN 132 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1dxr n VAL 133 N -2.68 1.21 0.05 5.09 0.31 0.51 -4.66 118.33 118.15 1dxr n VAL 133 Ca -0.22 0.33 -0.13 0.00 -0.01 0.00 0.00 64.34 64.31 1dxr n VAL 133 Cb 0.97 -1.73 -0.09 0.00 -0.91 0.00 0.00 33.84 32.08 1dxr n VAL 133 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1dxr h PHE 134 N -0.24 -0.11 -0.48 3.52 0.04 -1.00 -0.90 116.94 117.78 1dxr h PHE 134 Ca 0.00 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 1dxr h PHE 134 Cb 0.24 0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 1dxr h PHE 134 CO -0.10 0.23 0.14 -0.09 -0.60 0.00 0.00 178.31 177.89 1dxr h ARG 135 N -0.47 0.75 -0.89 1.51 2.43 -1.50 -1.20 114.38 115.01 1dxr h ARG 135 Ca -0.01 -0.16 0.04 0.00 -0.81 0.00 0.00 59.98 59.04 1dxr h ARG 135 Cb 0.39 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.78 1dxr h ARG 135 CO 0.02 0.71 0.57 -1.35 -1.51 0.00 0.00 179.97 178.41 1dxr h PRO 136 N 0.64 1.04 -0.33 0.20 0.11 -1.76 -1.26 132.00 130.65 1dxr h PRO 136 Ca 0.15 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 66.23 1dxr h PRO 136 Cb 0.28 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 31.13 1dxr h PRO 136 CO -0.00 0.69 0.15 -0.07 -0.21 0.00 0.00 178.00 178.55 1dxr h LEU 137 N 1.08 0.20 -1.62 2.35 3.38 -0.99 0.28 115.31 119.99 1dxr h LEU 137 Ca 0.36 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.34 1dxr h LEU 137 Cb 0.06 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1dxr h LEU 137 CO -0.14 0.15 0.08 -0.07 0.09 0.00 0.00 178.44 178.56 1dxr h LEU 138 N 0.31 0.30 0.00 1.67 3.38 -0.76 -2.26 115.31 117.95 1dxr h LEU 138 Ca 0.14 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1dxr h LEU 138 Cb 0.07 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1dxr h LEU 138 CO -0.11 0.29 -0.77 0.18 0.09 0.00 0.00 178.44 178.12 1dxr n LEU 139 N -4.42 0.63 0.00 1.67 4.77 -0.52 -4.89 117.00 114.24 1dxr n LEU 139 Ca 0.01 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1dxr n LEU 139 Cb 0.13 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1dxr n LEU 139 CO 0.36 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1dxr n GLY 140 N 1.39 0.72 3.64 -0.72 0.00 0.85 -5.05 105.19 106.02 1dxr n GLY 140 Ca 0.03 -0.49 -0.08 0.00 0.00 0.00 0.00 46.02 45.49 1dxr n GLY 140 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1dxr s SER 141 N -2.45 -0.83 0.59 1.61 0.15 -0.41 -3.65 113.70 108.71 1dxr s SER 141 Ca 0.00 1.37 0.29 0.00 0.70 0.00 0.00 55.95 58.31 1dxr s SER 141 Cb 0.00 1.35 1.66 0.00 -1.71 0.00 0.00 66.02 67.32 1dxr s SER 141 CO 0.00 -0.22 2.11 -0.50 1.20 0.00 0.00 173.24 175.82 1dxr h TRP 142 N 6.41 0.00 0.00 3.44 4.06 -1.67 -3.05 115.95 125.14 1dxr h TRP 142 Ca -0.29 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.66 1dxr h TRP 142 Cb 1.21 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.37 1dxr h TRP 142 CO 0.13 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.42 1dxr n GLY 143 N -1.40 -0.51 0.01 1.49 0.00 -1.25 -1.87 105.19 101.66 1dxr n GLY 143 Ca 0.01 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.14 1dxr n GLY 143 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1dxr n HIS 144 N -1.37 0.13 -1.75 1.61 8.25 -1.15 -4.81 115.22 116.13 1dxr n HIS 144 Ca 0.02 0.04 -0.30 0.00 -0.26 0.00 0.00 57.72 57.21 1dxr n HIS 144 Cb 0.04 -0.44 0.06 0.00 1.12 0.00 0.00 29.99 30.78 1dxr n HIS 144 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1dxr s ALA 145 N -3.03 2.64 0.29 -1.41 0.00 -0.78 -4.91 121.76 114.57 1dxr s ALA 145 Ca 0.11 -0.29 -0.12 0.00 0.00 0.00 0.00 51.96 51.66 1dxr s ALA 145 Cb 0.17 -3.06 -0.08 0.00 0.00 0.00 0.00 23.12 20.15 1dxr s ALA 145 CO 0.63 -1.37 0.66 -0.59 0.00 0.00 0.00 175.76 175.09 1dxr s PHE 146 N -3.28 3.40 0.55 0.00 -0.12 -1.26 -4.79 117.98 112.48 1dxr s PHE 146 Ca 0.59 1.06 -0.15 0.00 -0.05 0.00 0.00 56.93 58.38 1dxr s PHE 146 Cb -0.12 -2.41 -0.07 0.00 -0.63 0.00 0.00 43.02 39.79 1dxr s PHE 146 CO 0.53 0.15 1.00 -1.25 -0.05 0.00 0.00 175.22 175.60 1dxr s PRO 147 N -2.99 3.83 -0.75 1.99 0.04 -1.26 -4.73 135.00 131.13 1dxr s PRO 147 Ca 0.51 0.91 -0.18 0.00 0.04 0.00 0.00 61.00 62.28 1dxr s PRO 147 Cb -0.11 -2.12 0.14 0.00 0.04 0.00 0.00 34.50 32.46 1dxr s PRO 147 CO 0.20 -0.37 0.85 0.71 0.04 0.00 0.00 177.00 178.43 1dxr s TYR 148 N -2.77 3.22 -0.27 0.56 2.02 0.04 -4.16 117.35 115.99 1dxr s TYR 148 Ca 0.58 -1.34 -0.25 0.00 -0.37 0.00 0.00 57.07 55.69 1dxr s TYR 148 Cb -0.10 -4.05 0.08 0.00 -0.40 0.00 0.00 41.96 37.49 1dxr s TYR 148 CO 0.37 -1.28 0.79 0.20 -1.57 0.00 0.00 175.55 174.06 1dxr s GLY 149 N 3.26 -0.46 0.21 0.71 0.00 -1.26 -0.84 107.32 108.94 1dxr s GLY 149 Ca 0.20 2.19 -0.10 0.00 0.00 0.00 0.00 44.72 47.00 1dxr s GLY 149 CO -0.02 1.79 1.75 -2.22 0.00 0.00 0.00 173.10 174.40 1dxr h ILE 150 N 3.95 0.80 0.00 0.90 2.04 -1.78 -2.20 117.51 121.22 1dxr h ILE 150 Ca -0.29 -0.15 -0.37 0.00 1.00 0.00 0.00 64.86 65.06 1dxr h ILE 150 Cb 1.17 0.33 -0.07 0.00 -0.74 0.00 0.00 36.82 37.51 1dxr h ILE 150 CO 0.07 0.08 -2.34 0.18 0.00 0.00 0.00 178.15 176.14 1dxr n LEU 151 N -4.97 0.48 0.01 1.44 4.77 -1.23 -4.48 117.00 113.02 1dxr n LEU 151 Ca 0.08 0.02 0.01 0.00 -0.03 0.00 0.00 56.01 56.09 1dxr n LEU 151 Cb 0.25 0.27 0.33 0.00 -2.33 0.00 0.00 43.42 41.95 1dxr n LEU 151 CO 0.23 0.55 0.98 0.77 -1.33 0.00 0.00 177.39 178.59 1dxr h SER 152 N 0.00 0.47 0.33 -1.43 4.64 -1.79 -1.93 113.55 113.85 1dxr h SER 152 Ca -0.53 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 60.70 1dxr h SER 152 Cb 2.18 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 64.15 1dxr h SER 152 CO 0.02 0.50 -0.07 1.12 -0.87 0.00 0.00 176.83 177.53 1dxr h HIS 153 N 0.49 0.00 -0.15 4.77 2.07 -1.56 -0.77 115.15 120.01 1dxr h HIS 153 Ca 0.11 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.47 1dxr h HIS 153 Cb 0.25 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.23 1dxr h HIS 153 CO 0.01 0.07 -0.61 -0.07 -3.07 0.00 0.00 177.93 174.27 1dxr h LEU 154 N 0.00 0.56 -0.79 6.12 3.38 -1.59 -1.97 115.31 121.03 1dxr h LEU 154 Ca -0.00 -0.32 -0.11 0.00 0.09 0.00 0.00 57.88 57.53 1dxr h LEU 154 Cb 0.26 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1dxr h LEU 154 CO 0.01 1.04 -0.31 0.44 0.09 0.00 0.00 178.44 179.70 1dxr h ASP 155 N 0.37 0.57 -0.09 -0.43 3.32 -1.03 -1.33 116.42 117.81 1dxr h ASP 155 Ca -0.01 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 56.82 1dxr h ASP 155 Cb 1.16 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.55 1dxr h ASP 155 CO 0.11 0.85 0.04 -0.25 -1.72 0.00 0.00 179.24 178.27 1dxr h TRP 156 N 0.47 0.13 -0.83 4.55 7.01 -1.27 -1.69 115.95 124.32 1dxr h TRP 156 Ca 0.06 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.11 1dxr h TRP 156 Cb 0.78 -0.04 -0.06 0.00 -2.10 0.00 0.00 29.16 27.74 1dxr h TRP 156 CO 0.03 0.21 0.51 0.28 -2.79 0.00 0.00 178.44 176.68 1dxr h VAL 157 N 0.01 1.03 0.63 2.65 2.07 -1.20 0.26 116.25 121.70 1dxr h VAL 157 Ca 0.03 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1dxr h VAL 157 Cb 0.13 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1dxr h VAL 157 CO -0.00 0.17 -0.33 -1.13 0.02 0.00 0.00 177.57 176.30 1dxr h ASN 158 N 0.93 -0.80 -0.53 0.57 -1.24 -1.19 -0.27 115.58 113.05 1dxr h ASN 158 Ca 0.37 0.04 -0.08 0.00 0.71 0.00 0.00 56.30 57.33 1dxr h ASN 158 Cb 0.18 0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.43 1dxr h ASN 158 CO -0.18 -0.54 0.02 0.78 -1.29 0.00 0.00 177.43 176.22 1dxr h ASN 159 N -0.88 0.91 -0.43 1.15 2.35 -1.06 -1.59 115.58 116.02 1dxr h ASN 159 Ca -0.08 -0.30 0.08 0.00 -0.55 0.00 0.00 56.30 55.45 1dxr h ASN 159 Cb 0.69 -0.24 -0.07 0.00 0.05 0.00 0.00 38.32 38.75 1dxr h ASN 159 CO 0.12 0.98 0.01 0.15 -1.65 0.00 0.00 177.43 177.04 1dxr h PHE 160 N 0.80 -0.01 -0.37 1.19 3.57 -0.84 0.14 116.94 121.43 1dxr h PHE 160 Ca 0.15 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1dxr h PHE 160 Cb 0.51 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 1dxr h PHE 160 CO 0.04 -0.08 0.18 0.78 -2.23 0.00 0.00 178.31 177.00 1dxr h GLY 161 N 0.12 0.56 2.00 2.40 0.00 -0.68 -2.43 103.07 105.04 1dxr h GLY 161 Ca 0.21 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1dxr h GLY 161 CO -0.35 0.26 0.00 -1.72 0.00 0.00 0.00 176.54 174.74 1dxr n TYR 162 N -4.73 0.04 0.31 5.60 4.01 -0.63 -2.04 117.16 119.71 1dxr n TYR 162 Ca -0.01 0.01 0.19 0.00 -0.16 0.00 0.00 57.90 57.94 1dxr n TYR 162 Cb 0.10 -0.52 0.95 0.00 -0.31 0.00 0.00 39.34 39.57 1dxr n TYR 162 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1dxr h GLN 163 N 0.00 0.00 -0.43 -0.72 4.20 -0.23 -1.88 115.11 116.05 1dxr h GLN 163 Ca 0.00 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.46 1dxr h GLN 163 Cb 0.42 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 28.04 1dxr h GLN 163 CO 0.00 0.01 -0.13 0.66 -0.67 0.00 0.00 178.83 178.70 1dxr n TYR 164 N -3.15 1.38 0.00 2.96 4.01 -0.87 -4.81 117.16 116.68 1dxr n TYR 164 Ca -0.01 -1.78 0.00 0.00 -0.16 0.00 0.00 57.90 55.95 1dxr n TYR 164 Cb 0.18 -0.53 0.00 0.00 -0.31 0.00 0.00 39.34 38.68 1dxr n TYR 164 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1dxr n LEU 165 N -1.07 0.00 -3.48 7.72 4.77 -0.71 -1.68 117.00 122.55 1dxr n LEU 165 Ca 0.36 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 56.09 1dxr n LEU 165 Cb 1.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.96 1dxr n LEU 165 CO 0.24 0.00 -0.28 0.21 -1.33 0.00 0.00 177.39 176.24 1dxr s ASN 166 N 0.00 2.84 0.64 -1.43 3.84 -1.26 -4.79 114.94 114.78 1dxr s ASN 166 Ca 0.00 -1.24 0.42 0.00 0.21 0.00 0.00 52.86 52.26 1dxr s ASN 166 Cb 0.00 -0.07 2.27 0.00 -0.55 0.00 0.00 41.25 42.90 1dxr s ASN 166 CO 0.00 -0.40 2.30 -0.25 -2.79 0.00 0.00 177.10 175.95 1dxr h TRP 167 N 8.17 0.00 0.00 0.43 2.91 -1.73 -2.47 115.95 123.25 1dxr h TRP 167 Ca -0.14 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 59.86 1dxr h TRP 167 Cb 1.03 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.67 1dxr h TRP 167 CO 0.30 0.00 -0.08 0.74 -1.03 0.00 0.00 178.44 178.37 1dxr h PHE 168 N 0.00 0.00 -0.01 2.65 0.04 -1.94 -1.58 116.94 116.10 1dxr h PHE 168 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1dxr h PHE 168 Cb 0.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.19 1dxr h PHE 168 CO 0.00 0.08 0.00 0.66 -0.60 0.00 0.00 178.31 178.45 1dxr n TYR 169 N -3.67 0.00 -2.14 -0.55 4.02 -0.93 -4.57 117.16 109.31 1dxr n TYR 169 Ca -0.02 -0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.44 1dxr n TYR 169 Cb 0.19 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.49 1dxr n TYR 169 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1dxr s ASN 170 N -2.00 6.62 0.42 7.72 3.84 -0.60 -4.68 114.94 126.26 1dxr s ASN 170 Ca 0.42 1.87 0.09 0.00 0.21 0.00 0.00 52.86 55.45 1dxr s ASN 170 Cb 0.21 -2.53 0.91 0.00 -0.55 0.00 0.00 41.25 39.29 1dxr s ASN 170 CO 0.35 -1.02 2.04 1.55 -2.79 0.00 0.00 177.10 177.23 1dxr h PRO 171 N 9.68 0.50 -0.08 0.43 0.13 -1.89 0.23 132.00 141.00 1dxr h PRO 171 Ca -0.34 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 64.64 1dxr h PRO 171 Cb 1.15 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1dxr h PRO 171 CO 0.98 0.33 -0.47 0.78 -0.23 0.00 0.00 178.00 179.39 1dxr h GLY 172 N 0.51 0.20 1.00 1.56 0.00 -1.91 -2.51 103.07 101.93 1dxr h GLY 172 Ca 0.18 -0.21 -0.13 0.00 0.00 0.00 0.00 47.33 47.18 1dxr h GLY 172 CO -0.04 0.19 -0.30 0.84 0.00 0.00 0.00 176.54 177.22 1dxr h HIS 173 N 0.15 0.89 -0.86 5.60 6.17 -1.57 -0.81 115.15 124.72 1dxr h HIS 173 Ca 0.01 -0.27 0.07 0.00 0.71 0.00 0.00 60.37 60.89 1dxr h HIS 173 Cb 0.89 -0.19 -0.07 0.00 2.52 0.00 0.00 27.41 30.57 1dxr h HIS 173 CO 0.01 1.03 0.53 0.52 0.71 0.00 0.00 177.93 180.73 1dxr h MET 174 N 0.50 0.90 -0.15 5.26 2.86 -0.90 0.14 114.93 123.54 1dxr h MET 174 Ca 0.05 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 1dxr h MET 174 Cb 0.88 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.33 1dxr h MET 174 CO 0.08 0.60 -0.10 1.03 1.06 0.00 0.00 176.91 179.57 1dxr h SER 175 N 0.93 0.35 -0.04 1.22 0.87 -1.39 -2.28 113.55 113.21 1dxr h SER 175 Ca 0.39 -0.44 0.04 0.00 -1.23 0.00 0.00 61.79 60.54 1dxr h SER 175 Cb 0.24 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.06 1dxr h SER 175 CO -0.20 0.72 -0.24 -1.28 -0.53 0.00 0.00 176.83 175.30 1dxr h SER 176 N -0.02 -0.73 -0.63 6.23 0.87 -0.46 -1.82 113.55 116.99 1dxr h SER 176 Ca 0.03 0.11 0.05 0.00 -1.23 0.00 0.00 61.79 60.74 1dxr h SER 176 Cb 0.60 0.31 -0.05 0.00 -0.44 0.00 0.00 62.40 62.82 1dxr h SER 176 CO 0.03 -0.31 0.35 0.58 -0.53 0.00 0.00 176.83 176.96 1dxr h VAL 177 N -0.36 0.99 -0.83 2.23 2.07 -0.80 -1.07 116.25 118.48 1dxr h VAL 177 Ca 0.07 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.38 1dxr h VAL 177 Cb 0.46 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1dxr h VAL 177 CO -0.24 0.12 0.55 0.28 0.02 0.00 0.00 177.57 178.29 1dxr h SER 178 N 0.67 0.93 -0.39 0.57 0.02 -1.06 -0.45 113.55 113.85 1dxr h SER 178 Ca 0.27 -0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 61.07 1dxr h SER 178 Cb 0.13 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 1dxr h SER 178 CO -0.16 0.66 -0.29 -0.26 -1.14 0.00 0.00 176.83 175.65 1dxr h PHE 179 N 1.10 1.06 -0.37 3.45 0.04 -0.95 -0.56 116.94 120.72 1dxr h PHE 179 Ca 0.31 -0.28 0.06 0.00 2.80 0.00 0.00 57.97 60.87 1dxr h PHE 179 Cb -0.08 -0.24 -0.05 0.00 2.20 0.00 0.00 35.95 37.78 1dxr h PHE 179 CO -0.02 1.08 0.04 1.25 -0.60 0.00 0.00 178.31 180.06 1dxr h LEU 180 N 0.77 -0.06 -0.08 1.54 5.85 -0.71 0.30 115.31 122.92 1dxr h LEU 180 Ca 0.09 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1dxr h LEU 180 Cb 0.86 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.00 1dxr h LEU 180 CO 0.08 0.00 0.00 -0.26 -0.34 0.00 0.00 178.44 177.92 1dxr h PHE 181 N 0.15 0.15 -0.61 1.25 0.04 -0.93 -2.07 116.94 114.91 1dxr h PHE 181 Ca 0.18 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.91 1dxr h PHE 181 Cb 0.23 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.31 1dxr h PHE 181 CO -0.22 0.39 0.32 0.28 -0.60 0.00 0.00 178.31 178.48 1dxr h VAL 182 N -0.14 1.20 -0.58 -0.55 2.07 -1.04 -1.78 116.25 115.43 1dxr h VAL 182 Ca 0.02 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 1dxr h VAL 182 Cb 0.33 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1dxr h VAL 182 CO 0.00 0.23 0.35 -1.13 0.02 0.00 0.00 177.57 177.04 1dxr h ASN 183 N 0.83 0.70 -0.47 0.57 -0.73 -0.91 0.14 115.58 115.72 1dxr h ASN 183 Ca 0.21 -0.06 -0.02 0.00 1.87 0.00 0.00 56.30 58.30 1dxr h ASN 183 Cb 0.08 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 38.47 1dxr h ASN 183 CO -0.03 0.55 0.20 0.00 -0.37 0.00 0.00 177.43 177.78 1dxr h ALA 184 N 1.17 0.61 -0.27 1.57 0.00 -1.19 -0.50 119.26 120.64 1dxr h ALA 184 Ca 0.21 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1dxr h ALA 184 Cb -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1dxr h ALA 184 CO -0.04 0.20 0.18 1.98 0.00 0.00 0.00 179.25 181.58 1dxr h MET 185 N 0.61 0.36 -0.69 0.00 1.85 -1.16 -2.65 114.93 113.25 1dxr h MET 185 Ca 0.16 -0.02 -0.04 0.00 -0.61 0.00 0.00 59.70 59.19 1dxr h MET 185 Cb 0.18 -0.08 -0.03 0.00 0.43 0.00 0.00 31.60 32.10 1dxr h MET 185 CO -0.01 0.25 0.28 0.00 -0.40 0.00 0.00 176.91 177.02 1dxr h ALA 186 N 1.09 1.20 -0.48 0.39 0.00 -0.47 -0.69 119.26 120.30 1dxr h ALA 186 Ca 0.10 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1dxr h ALA 186 Cb -0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1dxr h ALA 186 CO -0.02 0.58 -0.08 1.25 0.00 0.00 0.00 179.25 180.98 1dxr h LEU 187 N 0.99 0.85 -0.41 0.00 5.85 -1.04 0.24 115.31 121.79 1dxr h LEU 187 Ca 0.23 -0.25 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 1dxr h LEU 187 Cb 0.18 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1dxr h LEU 187 CO -0.02 0.96 -0.15 1.23 -0.34 0.00 0.00 178.44 180.12 1dxr h GLY 188 N 0.98 0.90 0.86 3.75 0.00 -1.10 0.06 103.07 108.52 1dxr h GLY 188 Ca 0.13 -0.78 -0.00 0.00 0.00 0.00 0.00 47.33 46.68 1dxr h GLY 188 CO 0.04 0.71 0.03 1.41 0.00 0.00 0.00 176.54 178.73 1dxr h LEU 189 N 0.65 0.09 -0.05 3.11 3.38 -0.99 0.12 115.31 121.62 1dxr h LEU 189 Ca 0.10 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1dxr h LEU 189 Cb 0.70 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1dxr h LEU 189 CO 0.05 0.22 0.03 -0.74 0.09 0.00 0.00 178.44 178.09 1dxr h HIS 190 N -0.05 0.07 -0.40 1.13 2.76 -0.46 -1.00 115.15 117.21 1dxr h HIS 190 Ca 0.02 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 1dxr h HIS 190 Cb 0.16 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.08 1dxr h HIS 190 CO -0.02 0.16 0.23 0.78 -1.30 0.00 0.00 177.93 177.78 1dxr h GLY 191 N -0.03 0.59 1.28 5.26 0.00 -1.02 -2.37 103.07 106.77 1dxr h GLY 191 Ca 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1dxr h GLY 191 CO -0.00 0.25 0.45 -1.33 0.00 0.00 0.00 176.54 175.91 1dxr h GLY 192 N 0.52 1.03 0.75 4.60 0.00 -0.93 -2.20 103.07 106.84 1dxr h GLY 192 Ca 0.14 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 1dxr h GLY 192 CO -0.02 0.39 -0.02 -2.00 0.00 0.00 0.00 176.54 174.89 1dxr h LEU 193 N 0.98 0.25 -1.02 3.11 5.85 -0.89 0.30 115.31 123.89 1dxr h LEU 193 Ca 0.26 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 1dxr h LEU 193 Cb -0.07 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1dxr h LEU 193 CO -0.05 0.54 0.30 0.40 -0.34 0.00 0.00 178.44 179.29 1dxr h ILE 194 N -0.05 1.23 -0.29 4.05 1.08 -1.28 -1.94 117.51 120.31 1dxr h ILE 194 Ca 0.03 -0.69 -0.18 0.00 -0.39 0.00 0.00 64.86 63.64 1dxr h ILE 194 Cb 0.43 0.39 -0.00 0.00 -3.07 0.00 0.00 36.82 34.56 1dxr h ILE 194 CO 0.01 0.28 -0.53 -0.07 -0.69 0.00 0.00 178.15 177.16 1dxr h LEU 195 N 0.98 0.93 -1.72 1.44 3.38 -1.29 -1.87 115.31 117.16 1dxr h LEU 195 Ca 0.23 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 1dxr h LEU 195 Cb 0.15 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1dxr h LEU 195 CO -0.02 1.28 -0.18 0.77 0.09 0.00 0.00 178.44 180.38 1dxr h SER 196 N 0.65 0.00 0.17 -0.43 4.64 -0.48 0.21 113.55 118.31 1dxr h SER 196 Ca 0.02 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.03 1dxr h SER 196 Cb 1.13 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.23 1dxr h SER 196 CO 0.12 0.18 -1.49 0.58 -0.87 0.00 0.00 176.83 175.34 1dxr h VAL 197 N 0.00 1.09 0.00 0.95 2.07 -1.20 -3.29 116.25 115.87 1dxr h VAL 197 Ca -0.00 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 65.01 1dxr h VAL 197 Cb 0.37 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 1dxr h VAL 197 CO 0.02 0.79 -0.06 0.00 0.02 0.00 0.00 177.57 178.34 1dxr h ALA 198 N 0.07 0.96 -2.05 1.67 0.00 -1.12 -2.27 119.26 116.51 1dxr h ALA 198 Ca -0.29 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.05 1dxr h ALA 198 Cb 1.95 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 19.35 1dxr h ALA 198 CO 0.16 0.00 -0.99 0.09 0.00 0.00 0.00 179.25 178.51 1dxr n ASN 199 N -2.52 1.01 0.24 0.00 3.02 0.71 -4.79 115.26 112.93 1dxr n ASN 199 Ca 0.05 -2.87 0.16 0.00 -0.03 0.00 0.00 54.58 51.89 1dxr n ASN 199 Cb 0.46 -0.65 0.57 0.00 -0.61 0.00 0.00 39.78 39.56 1dxr n ASN 199 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1dxr h PRO 200 N 4.06 0.00 0.00 3.52 0.13 -1.75 -3.42 132.00 134.54 1dxr h PRO 200 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1dxr h PRO 200 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1dxr h PRO 200 CO 0.55 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.73 1dxr n GLY 201 N 0.23 0.54 7.00 1.56 0.00 -1.26 -4.92 105.19 108.34 1dxr n GLY 201 Ca 0.02 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.91 1dxr n GLY 201 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dxr n ASP 202 N 0.00 0.00 -1.65 1.61 8.00 -1.26 -1.04 116.55 122.21 1dxr n ASP 202 Ca 0.00 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.34 1dxr n ASP 202 Cb 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.21 1dxr n ASP 202 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dxr n GLY 203 N 0.00 5.73 3.77 0.44 0.00 -1.26 -5.04 105.19 108.83 1dxr n GLY 203 Ca 0.00 -2.02 -0.33 0.00 0.00 0.00 0.00 46.02 43.67 1dxr n GLY 203 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dxr s ASP 204 N -2.97 5.09 0.29 1.61 1.01 -0.20 -4.99 116.67 116.50 1dxr s ASP 204 Ca 0.50 2.00 -0.29 0.00 0.71 0.00 0.00 52.55 55.46 1dxr s ASP 204 Cb 0.42 -2.55 -0.09 0.00 1.01 0.00 0.00 42.92 41.71 1dxr s ASP 204 CO 0.01 -1.64 1.06 -0.54 0.21 0.00 0.00 175.17 174.27 1dxr s LYS 205 N -4.12 4.63 0.22 8.23 1.02 -1.26 -4.75 119.74 123.71 1dxr s LYS 205 Ca 0.67 1.71 -0.31 0.00 0.02 0.00 0.00 55.97 58.06 1dxr s LYS 205 Cb -0.20 -3.13 -0.15 0.00 -0.52 0.00 0.00 37.83 33.83 1dxr s LYS 205 CO 0.42 0.23 1.07 0.28 -0.92 0.00 0.00 175.35 176.42 1dxr n VAL 206 N 1.09 1.39 -1.10 3.17 0.31 -1.26 -4.74 118.33 117.18 1dxr n VAL 206 Ca -0.01 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 1dxr n VAL 206 Cb 0.46 -0.86 0.00 0.00 -0.91 0.00 0.00 33.84 32.53 1dxr n VAL 206 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1dxr n LYS 207 N 1.31 2.45 -4.35 5.55 4.76 -0.85 -5.05 118.16 121.97 1dxr n LYS 207 Ca 0.13 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.39 1dxr n LYS 207 Cb 0.28 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.37 1dxr n LYS 207 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1dxr s THR 208 N 1.31 0.57 0.36 -0.18 -4.23 -1.26 -4.93 115.64 107.28 1dxr s THR 208 Ca 0.00 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.58 1dxr s THR 208 Cb 0.00 -2.60 0.30 0.00 1.34 0.00 0.00 72.50 71.54 1dxr s THR 208 CO 0.00 0.00 1.93 0.00 -0.54 0.00 0.00 174.62 176.01 1dxr h ALA 209 N 2.27 1.76 -0.22 3.99 0.00 -2.01 -1.51 119.26 123.55 1dxr h ALA 209 Ca -0.37 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 1dxr h ALA 209 Cb 1.25 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1dxr h ALA 209 CO 0.59 0.09 -0.32 0.93 0.00 0.00 0.00 179.25 180.54 1dxr h GLU 210 N 0.72 0.44 -0.56 0.00 3.07 -2.00 -2.75 114.58 113.50 1dxr h GLU 210 Ca 0.35 -0.19 -0.07 0.00 -0.50 0.00 0.00 59.36 58.95 1dxr h GLU 210 Cb 0.41 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.28 1dxr h GLU 210 CO -0.13 0.71 0.07 0.45 -1.40 0.00 0.00 179.01 178.71 1dxr h HIS 211 N 0.38 0.96 -0.25 4.33 3.86 -1.68 -0.57 115.15 122.19 1dxr h HIS 211 Ca 0.05 -0.12 -0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1dxr h HIS 211 Cb 0.75 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 1dxr h HIS 211 CO 0.02 0.84 0.15 0.93 0.86 0.00 0.00 177.93 180.73 1dxr h GLU 212 N 0.86 0.34 -0.65 2.45 5.08 -1.31 -0.60 114.58 120.75 1dxr h GLU 212 Ca 0.17 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1dxr h GLU 212 Cb 0.41 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1dxr h GLU 212 CO 0.01 0.29 0.14 -0.91 -1.00 0.00 0.00 179.01 177.54 1dxr h ASN 213 N 0.31 1.00 -0.43 1.42 2.35 -1.36 -3.02 115.58 115.85 1dxr h ASN 213 Ca 0.09 -0.24 -0.04 0.00 -0.55 0.00 0.00 56.30 55.56 1dxr h ASN 213 Cb 0.04 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 1dxr h ASN 213 CO -0.02 0.98 0.12 -0.61 -1.65 0.00 0.00 177.43 176.26 1dxr h GLN 214 N 0.97 0.68 -0.06 0.81 5.75 -0.91 -1.87 115.11 120.48 1dxr h GLN 214 Ca 0.20 -0.16 0.04 0.00 -0.15 0.00 0.00 58.65 58.58 1dxr h GLN 214 Cb 0.38 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 28.79 1dxr h GLN 214 CO 0.01 0.67 -0.23 -0.92 -2.65 0.00 0.00 178.83 175.71 1dxr h TYR 215 N 0.55 -0.62 -0.03 3.99 3.20 -0.99 0.73 116.97 123.82 1dxr h TYR 215 Ca 0.14 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.86 1dxr h TYR 215 Cb 0.29 0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 1dxr h TYR 215 CO 0.02 -0.32 -0.76 0.74 -1.64 0.00 0.00 178.16 176.20 1dxr h PHE 216 N -0.33 0.28 -0.87 -3.82 0.04 -1.52 0.03 116.94 110.75 1dxr h PHE 216 Ca 0.08 -0.13 0.08 0.00 2.80 0.00 0.00 57.97 60.79 1dxr h PHE 216 Cb 0.44 -0.04 -0.07 0.00 2.20 0.00 0.00 35.95 38.49 1dxr h PHE 216 CO -0.30 0.88 0.53 -0.09 -0.60 0.00 0.00 178.31 178.73 1dxr h ARG 217 N 0.13 0.90 0.10 1.51 9.65 -1.23 0.16 114.38 125.60 1dxr h ARG 217 Ca -0.03 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1dxr h ARG 217 Cb 1.33 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 29.71 1dxr h ARG 217 CO 0.11 0.60 -0.05 -0.44 2.80 0.00 0.00 179.97 183.00 1dxr h ASP 218 N 0.93 -0.11 -0.15 -3.80 5.19 -0.59 -0.46 116.42 117.43 1dxr h ASP 218 Ca 0.39 -0.39 -0.08 0.00 -0.62 0.00 0.00 57.03 56.33 1dxr h ASP 218 Cb 0.25 0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.78 1dxr h ASP 218 CO -0.20 0.36 -0.23 0.58 -3.12 0.00 0.00 179.24 176.63 1dxr h VAL 219 N -0.61 1.36 0.00 -1.35 2.07 -0.79 -3.38 116.25 113.55 1dxr h VAL 219 Ca -0.01 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.06 1dxr h VAL 219 Cb 0.49 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1dxr h VAL 219 CO 0.02 0.43 0.00 1.33 0.02 0.00 0.00 177.57 179.37 1dxr n VAL 220 N -4.46 0.00 -0.50 2.57 0.24 0.51 -5.01 118.33 111.67 1dxr n VAL 220 Ca -0.06 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 1dxr n VAL 220 Cb 0.42 1.12 0.00 0.00 -1.47 0.00 0.00 33.84 33.91 1dxr n VAL 220 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1dxr n GLY 221 N 0.16 0.86 3.25 7.63 0.00 -0.18 -4.98 105.19 111.93 1dxr n GLY 221 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1dxr n GLY 221 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1dxr s TYR 222 N -3.06 -0.54 -0.16 1.61 5.04 -1.22 -4.81 117.35 114.21 1dxr s TYR 222 Ca 0.00 1.19 -0.01 0.00 -2.44 0.00 0.00 57.07 55.81 1dxr s TYR 222 Cb 0.00 0.22 -0.01 0.00 0.35 0.00 0.00 41.96 42.52 1dxr s TYR 222 CO 0.00 -0.31 -0.12 0.45 -1.34 0.00 0.00 175.55 174.23 1dxr s SER 223 N 1.17 3.92 0.31 4.32 0.15 -1.26 -4.15 113.70 118.16 1dxr s SER 223 Ca -0.08 -0.40 0.25 0.00 0.70 0.00 0.00 55.95 56.43 1dxr s SER 223 Cb -0.08 -1.61 0.69 0.00 -1.71 0.00 0.00 66.02 63.31 1dxr s SER 223 CO -0.10 0.10 1.73 -0.29 1.20 0.00 0.00 173.24 175.88 1dxr h ILE 224 N 5.56 0.00 0.00 6.45 2.10 -1.97 -3.50 117.51 126.16 1dxr h ILE 224 Ca -0.32 -0.64 0.00 0.00 1.08 0.00 0.00 64.86 64.98 1dxr h ILE 224 Cb 1.19 1.62 0.00 0.00 -1.09 0.00 0.00 36.82 38.54 1dxr h ILE 224 CO 0.57 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 178.25 1dxr n GLY 225 N 1.07 1.54 0.13 8.18 0.00 -1.26 -4.48 105.19 110.37 1dxr n GLY 225 Ca 0.04 -1.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.11 1dxr n GLY 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dxr h ALA 226 N 0.00 0.18 -0.37 4.61 0.00 -1.97 -1.41 119.26 120.30 1dxr h ALA 226 Ca 0.00 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.42 1dxr h ALA 226 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1dxr h ALA 226 CO 0.00 0.08 -0.35 1.25 0.00 0.00 0.00 179.25 180.23 1dxr h LEU 227 N -0.08 0.90 -1.10 0.00 5.85 -2.03 -3.29 115.31 115.55 1dxr h LEU 227 Ca 0.01 -0.39 -0.08 0.00 0.84 0.00 0.00 57.88 58.26 1dxr h LEU 227 Cb 0.71 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1dxr h LEU 227 CO 0.04 1.16 -0.39 0.28 -0.34 0.00 0.00 178.44 179.18 1dxr h SER 228 N 0.71 0.00 0.33 1.25 0.02 -1.72 -2.30 113.55 111.84 1dxr h SER 228 Ca 0.07 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 1dxr h SER 228 Cb 0.92 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 1dxr h SER 228 CO 0.08 0.39 -0.21 -0.29 -1.14 0.00 0.00 176.83 175.67 1dxr h ILE 229 N 0.00 0.92 0.02 3.27 6.09 -1.33 0.04 117.51 126.51 1dxr h ILE 229 Ca -0.00 -0.77 -0.27 0.00 -1.37 0.00 0.00 64.86 62.44 1dxr h ILE 229 Cb 0.80 1.45 0.02 0.00 0.47 0.00 0.00 36.82 39.56 1dxr h ILE 229 CO 0.05 0.20 -1.09 0.45 -3.07 0.00 0.00 178.15 174.70 1dxr h HIS 230 N 0.00 1.05 -0.52 2.19 3.86 -1.56 -0.36 115.15 119.81 1dxr h HIS 230 Ca -0.00 -0.59 0.01 0.00 -1.16 0.00 0.00 60.37 58.63 1dxr h HIS 230 Cb 0.43 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.76 1dxr h HIS 230 CO 0.00 1.42 0.34 -0.09 0.86 0.00 0.00 177.93 180.46 1dxr h ARG 231 N 0.38 0.66 -0.51 2.45 2.43 -1.39 -2.24 114.38 116.16 1dxr h ARG 231 Ca -0.14 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 58.97 1dxr h ARG 231 Cb 1.74 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 31.12 1dxr h ARG 231 CO 0.21 0.44 0.25 1.25 -1.51 0.00 0.00 179.97 180.61 1dxr h LEU 232 N 0.68 0.67 -1.01 3.80 5.85 -0.87 -1.39 115.31 123.04 1dxr h LEU 232 Ca 0.19 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1dxr h LEU 232 Cb -0.06 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 1dxr h LEU 232 CO -0.05 0.61 0.23 1.23 -0.34 0.00 0.00 178.44 180.13 1dxr h GLY 233 N 0.68 1.02 1.45 3.75 0.00 -0.92 0.22 103.07 109.26 1dxr h GLY 233 Ca 0.18 -0.54 -0.09 0.00 0.00 0.00 0.00 47.33 46.88 1dxr h GLY 233 CO -0.02 0.51 -0.13 -2.00 0.00 0.00 0.00 176.54 174.90 1dxr h LEU 234 N 0.93 0.65 0.02 3.11 5.85 -1.15 -1.80 115.31 122.92 1dxr h LEU 234 Ca 0.21 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1dxr h LEU 234 Cb 0.21 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.07 1dxr h LEU 234 CO -0.02 0.80 -0.01 0.15 -0.34 0.00 0.00 178.44 179.02 1dxr h PHE 235 N 0.60 -0.03 -0.27 1.25 3.57 -0.30 -1.46 116.94 120.30 1dxr h PHE 235 Ca 0.10 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.63 1dxr h PHE 235 Cb 0.56 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 1dxr h PHE 235 CO 0.02 0.47 0.11 -0.07 -2.23 0.00 0.00 178.31 176.61 1dxr h LEU 236 N -0.55 0.14 0.02 0.59 3.38 -0.50 -1.81 115.31 116.58 1dxr h LEU 236 Ca -0.00 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1dxr h LEU 236 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1dxr h LEU 236 CO 0.01 0.11 -0.01 0.00 0.09 0.00 0.00 178.44 178.64 1dxr h ALA 237 N 1.16 -0.02 -0.75 1.53 0.00 -1.38 -2.93 119.26 116.87 1dxr h ALA 237 Ca 0.12 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1dxr h ALA 237 Cb 0.07 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1dxr h ALA 237 CO -0.11 -0.42 0.49 0.77 0.00 0.00 0.00 179.25 179.98 1dxr h SER 238 N -0.20 0.71 0.94 0.00 0.02 -1.16 -1.98 113.55 111.88 1dxr h SER 238 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1dxr h SER 238 Cb 0.19 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1dxr h SER 238 CO 0.00 0.46 0.00 0.59 -1.14 0.00 0.00 176.83 176.74 1dxr n ASN 239 N -4.48 0.13 -0.15 3.07 4.13 -0.69 -1.67 115.26 115.60 1dxr n ASN 239 Ca 0.11 0.52 -0.03 0.00 1.68 0.00 0.00 54.58 56.86 1dxr n ASN 239 Cb 0.22 -0.55 0.04 0.00 -1.54 0.00 0.00 39.78 37.95 1dxr n ASN 239 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 1dxr h ILE 240 N 0.00 0.60 0.07 2.41 2.04 -1.18 -2.51 117.51 118.94 1dxr h ILE 240 Ca 0.00 -0.02 -0.33 0.00 1.00 0.00 0.00 64.86 65.51 1dxr h ILE 240 Cb 0.47 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 1dxr h ILE 240 CO 0.00 0.01 -1.81 -0.26 0.00 0.00 0.00 178.15 176.09 1dxr h PHE 241 N 0.07 0.28 -0.63 1.37 -1.00 -1.57 -2.78 116.94 112.68 1dxr h PHE 241 Ca 0.23 -0.20 -0.07 0.00 2.81 0.00 0.00 57.97 60.74 1dxr h PHE 241 Cb 0.35 -0.01 -0.03 0.00 3.61 0.00 0.00 35.95 39.87 1dxr h PHE 241 CO -0.34 1.40 0.13 -0.07 -1.61 0.00 0.00 178.31 177.83 1dxr h LEU 242 N 0.04 0.95 0.22 1.54 3.38 -1.35 0.60 115.31 120.69 1dxr h LEU 242 Ca -0.34 -0.20 -0.33 0.00 0.09 0.00 0.00 57.88 57.10 1dxr h LEU 242 Cb 2.02 -0.25 0.03 0.00 0.09 0.00 0.00 40.66 42.55 1dxr h LEU 242 CO 0.10 0.93 -1.52 0.71 0.09 0.00 0.00 178.44 178.74 1dxr h THR 243 N 0.95 1.22 -0.99 0.22 1.35 -1.62 -3.29 112.91 110.75 1dxr h THR 243 Ca 0.20 -2.71 0.12 0.00 -0.55 0.00 0.00 66.41 63.47 1dxr h THR 243 Cb 0.37 2.95 -0.09 0.00 -1.73 0.00 0.00 68.15 69.66 1dxr h THR 243 CO 0.01 0.83 0.62 1.23 -0.25 0.00 0.00 175.52 177.96 1dxr h GLY 244 N 0.55 1.63 0.37 5.82 0.00 -1.33 -1.88 103.07 108.22 1dxr h GLY 244 Ca -0.26 -0.41 0.21 0.00 0.00 0.00 0.00 47.33 46.86 1dxr h GLY 244 CO 0.24 0.15 0.58 0.00 0.00 0.00 0.00 176.54 177.51 1dxr h ALA 245 N 1.54 2.36 -0.23 3.60 0.00 -0.95 0.13 119.26 125.72 1dxr h ALA 245 Ca 0.49 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.29 1dxr h ALA 245 Cb 0.50 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1dxr h ALA 245 CO -0.27 -0.62 -0.30 0.74 0.00 0.00 0.00 179.25 178.80 1dxr h PHE 246 N 0.29 0.74 -0.27 0.00 -1.00 -1.49 -0.97 116.94 114.23 1dxr h PHE 246 Ca 0.43 -0.24 -0.06 0.00 2.81 0.00 0.00 57.97 60.91 1dxr h PHE 246 Cb 1.24 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 40.64 1dxr h PHE 246 CO -0.00 0.97 -0.10 0.78 -1.61 0.00 0.00 178.31 178.35 1dxr h GLY 247 N 0.30 0.47 0.49 -1.45 0.00 -1.04 -1.43 103.07 100.41 1dxr h GLY 247 Ca 0.03 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 1dxr h GLY 247 CO 0.07 0.28 -0.03 -0.84 0.00 0.00 0.00 176.54 176.02 1dxr h THR 248 N 0.41 1.21 -0.04 4.70 2.02 -1.15 -3.24 112.91 116.83 1dxr h THR 248 Ca 0.08 -1.11 -0.04 0.00 0.77 0.00 0.00 66.41 66.11 1dxr h THR 248 Cb 0.43 1.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 1dxr h THR 248 CO 0.02 0.27 -0.17 0.40 0.37 0.00 0.00 175.52 176.41 1dxr h ILE 249 N -0.61 1.14 -0.10 3.11 1.08 -1.14 -2.67 117.51 118.33 1dxr h ILE 249 Ca -0.01 -0.66 -0.09 0.00 -0.39 0.00 0.00 64.86 63.70 1dxr h ILE 249 Cb 0.51 1.30 -0.01 0.00 -3.07 0.00 0.00 36.82 35.55 1dxr h ILE 249 CO 0.02 0.19 -0.37 0.00 -0.69 0.00 0.00 178.15 177.30 1dxr h ALA 250 N 1.78 1.21 -1.59 1.87 0.00 -1.33 -3.36 119.26 117.83 1dxr h ALA 250 Ca 0.01 -0.37 -0.55 0.00 0.00 0.00 0.00 54.91 54.00 1dxr h ALA 250 Cb 0.33 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 1dxr h ALA 250 CO 0.02 0.54 1.01 -1.12 0.00 0.00 0.00 179.25 179.70 1dxr s SER 251 N -6.88 6.38 0.00 0.00 0.01 -1.01 -1.18 113.70 111.02 1dxr s SER 251 Ca -0.04 0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.38 1dxr s SER 251 Cb 0.14 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.82 1dxr s SER 251 CO 0.76 -1.53 0.00 0.61 0.41 0.00 0.00 173.24 173.49 1dxr n GLY 252 N 5.11 2.23 0.24 3.44 0.00 0.99 -4.81 105.19 112.39 1dxr n GLY 252 Ca 0.09 -0.69 0.04 0.00 0.00 0.00 0.00 46.02 45.47 1dxr n GLY 252 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1dxr h PRO 253 N 0.00 0.16 0.00 1.61 0.11 -1.70 -3.29 132.00 128.89 1dxr h PRO 253 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1dxr h PRO 253 Cb 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.08 1dxr h PRO 253 CO 0.00 0.26 0.00 1.19 -0.21 0.00 0.00 178.00 179.24 1dxr n PHE 254 N -4.35 0.00 -3.59 0.65 3.72 -0.50 -5.02 117.46 108.37 1dxr n PHE 254 Ca -0.01 -0.10 -0.02 0.00 -0.05 0.00 0.00 57.45 57.26 1dxr n PHE 254 Cb 0.21 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 38.69 1dxr n PHE 254 CO 0.00 0.00 0.00 -0.46 -0.05 0.00 0.00 176.76 176.25 1dxr s TRP 255 N -0.21 -0.97 -0.52 1.38 -0.11 -0.32 -4.96 118.94 113.24 1dxr s TRP 255 Ca 0.00 1.78 0.05 0.00 1.22 0.00 0.00 56.10 59.16 1dxr s TRP 255 Cb 0.00 0.58 0.00 0.00 -1.50 0.00 0.00 33.47 32.55 1dxr s TRP 255 CO 0.00 -0.48 0.48 0.25 -4.62 0.00 0.00 176.95 172.58 1dxr n THR 256 N 4.68 0.00 -2.77 5.86 -2.24 -1.26 -0.01 114.28 118.54 1dxr n THR 256 Ca -0.15 -0.45 -0.16 0.00 -2.27 0.00 0.00 64.05 61.02 1dxr n THR 256 Cb 0.54 1.07 0.07 0.00 -2.10 0.00 0.00 70.33 69.91 1dxr n THR 256 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1dxr n ARG 257 N -0.29 0.38 -1.79 -0.78 1.74 -1.26 -4.99 116.66 109.67 1dxr n ARG 257 Ca 0.02 -2.21 -0.37 0.00 -0.77 0.00 0.00 57.85 54.53 1dxr n ARG 257 Cb 0.12 -0.34 0.06 0.00 -1.02 0.00 0.00 32.46 31.27 1dxr n ARG 257 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1dxr s GLY 258 N -4.22 2.84 0.31 -0.13 0.00 -1.26 -4.76 107.32 100.11 1dxr s GLY 258 Ca 0.48 1.19 0.09 0.00 0.00 0.00 0.00 44.72 46.48 1dxr s GLY 258 CO 0.31 1.61 1.71 1.49 0.00 0.00 0.00 173.10 178.23 1dxr h TRP 259 N 0.63 0.14 -0.72 1.90 4.06 -1.54 -3.11 115.95 117.31 1dxr h TRP 259 Ca -0.51 -0.04 0.04 0.00 2.06 0.00 0.00 58.89 60.44 1dxr h TRP 259 Cb 1.33 -0.03 -0.04 0.00 -1.00 0.00 0.00 29.16 29.42 1dxr h TRP 259 CO 0.42 0.55 0.47 -1.35 -3.56 0.00 0.00 178.44 174.98 1dxr h PRO 260 N 0.10 0.83 0.00 0.49 0.11 -1.82 -1.99 132.00 129.71 1dxr h PRO 260 Ca 0.00 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 1dxr h PRO 260 Cb 0.84 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 1dxr h PRO 260 CO 0.06 0.55 -0.20 1.49 -0.21 0.00 0.00 178.00 179.69 1dxr h GLU 261 N 0.85 0.00 -0.52 1.05 4.81 -1.93 -2.14 114.58 116.70 1dxr h GLU 261 Ca 0.29 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.62 1dxr h GLU 261 Cb 0.09 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 1dxr h GLU 261 CO -0.08 0.20 0.36 2.35 -0.73 0.00 0.00 179.01 181.10 1dxr h TRP 262 N 0.00 0.29 0.00 0.92 7.01 -1.42 0.10 115.95 122.85 1dxr h TRP 262 Ca -0.00 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.01 1dxr h TRP 262 Cb 0.55 -0.09 0.00 0.00 -2.10 0.00 0.00 29.16 27.51 1dxr h TRP 262 CO 0.00 0.14 0.00 0.91 -2.79 0.00 0.00 178.44 176.70 1dxr n TRP 263 N -4.46 0.00 0.03 2.65 7.02 -0.80 -2.48 117.44 119.39 1dxr n TRP 263 Ca 0.08 0.00 0.20 0.00 -1.02 0.00 0.00 57.50 56.76 1dxr n TRP 263 Cb 0.40 0.00 0.70 0.00 -2.42 0.00 0.00 31.31 29.99 1dxr n TRP 263 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 1dxr h GLY 264 N 3.65 0.00 1.20 6.99 0.00 -0.96 -0.97 103.07 112.98 1dxr h GLY 264 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.44 1dxr h GLY 264 CO 0.00 0.00 0.30 0.11 0.00 0.00 0.00 176.54 176.95 1dxr h TRP 265 N 0.00 0.00 0.00 5.60 5.08 -1.72 0.13 115.95 125.05 1dxr h TRP 265 Ca 0.23 0.00 -0.13 0.00 1.08 0.00 0.00 58.89 60.07 1dxr h TRP 265 Cb 0.97 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.11 1dxr h TRP 265 CO 0.00 0.00 -1.16 1.87 -1.28 0.00 0.00 178.44 177.87 1dxr n TRP 266 N -4.18 0.52 -0.13 0.12 -0.00 -0.47 -4.17 117.44 109.12 1dxr n TRP 266 Ca 0.06 0.22 0.07 0.00 -0.00 0.00 0.00 57.50 57.85 1dxr n TRP 266 Cb 0.48 -0.80 0.39 0.00 -0.00 0.00 0.00 31.31 31.37 1dxr n TRP 266 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 1dxr h LEU 267 N -1.00 0.59 -3.26 5.87 5.85 -1.00 -2.56 115.31 119.80 1dxr h LEU 267 Ca -0.20 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1dxr h LEU 267 Cb 1.00 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.91 1dxr h LEU 267 CO -0.12 0.39 0.00 0.47 -0.34 0.00 0.00 178.44 178.84 1dxr n ASP 268 N -4.47 5.06 -4.67 1.25 8.00 0.43 -4.66 116.55 117.48 1dxr n ASP 268 Ca 0.09 -2.58 -0.48 0.00 0.71 0.00 0.00 54.79 52.53 1dxr n ASP 268 Cb 0.21 -0.61 -0.05 0.00 -0.02 0.00 0.00 41.12 40.65 1dxr n ASP 268 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1dxr n ILE 269 N 1.01 0.30 0.22 0.53 5.41 -0.97 -4.86 119.36 121.00 1dxr n ILE 269 Ca 0.27 -0.05 0.06 0.00 1.00 0.00 0.00 62.75 64.02 1dxr n ILE 269 Cb 0.98 -1.67 0.49 0.00 -0.71 0.00 0.00 39.64 38.73 1dxr n ILE 269 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1dxr h PRO 270 N 7.55 0.00 -0.97 0.38 0.11 -1.92 -2.44 132.00 134.71 1dxr h PRO 270 Ca -0.47 0.00 0.32 0.00 0.11 0.00 0.00 66.00 65.96 1dxr h PRO 270 Cb 1.27 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.21 1dxr h PRO 270 CO 0.92 0.23 0.34 0.35 -0.21 0.00 0.00 178.00 179.63 1dxr h PHE 271 N 0.00 0.51 0.00 0.65 3.57 -1.98 -2.51 116.94 117.18 1dxr h PHE 271 Ca -0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1dxr h PHE 271 Cb 0.43 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.11 1dxr h PHE 271 CO 0.00 -0.34 -0.00 -2.67 -2.23 0.00 0.00 178.31 173.07 1dxr n TRP 272 N -5.26 0.00 1.88 0.41 2.14 -0.96 -5.25 117.44 110.40 1dxr n TRP 272 Ca 0.29 -0.57 0.15 0.00 2.07 0.00 0.00 57.50 59.44 1dxr n TRP 272 Cb 0.94 -0.06 0.89 0.00 -0.81 0.00 0.00 31.31 32.27 1dxr n TRP 272 CO 0.00 0.00 0.00 0.43 2.07 0.00 0.00 177.69 180.19