#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sdl s HIS 2 N 0.00 2.76 -0.01 6.34 3.76 -1.26 -4.97 115.29 121.92 1sdl s HIS 2 Ca 0.00 -2.69 0.02 0.00 -0.15 0.00 0.00 55.06 52.24 1sdl s HIS 2 Cb 0.00 -2.41 -0.03 0.00 1.11 0.00 0.00 32.58 31.24 1sdl s HIS 2 CO 0.00 -0.83 -0.04 -0.51 -0.85 0.00 0.00 174.74 172.52 1sdl s LEU 3 N 0.51 3.33 0.82 0.89 1.43 -1.26 -5.12 118.68 119.28 1sdl s LEU 3 Ca 0.14 -0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 53.06 1sdl s LEU 3 Cb -0.22 -1.89 0.11 0.00 0.03 0.00 0.00 46.19 44.22 1sdl s LEU 3 CO -0.06 0.29 1.17 0.42 0.23 0.00 0.00 176.35 178.40 1sdl s THR 4 N -1.02 2.08 0.41 5.49 -4.23 -1.26 -4.82 115.64 112.28 1sdl s THR 4 Ca 0.18 -0.11 0.10 0.00 -1.18 0.00 0.00 61.69 60.68 1sdl s THR 4 Cb -0.11 -2.97 0.19 0.00 1.34 0.00 0.00 72.50 70.94 1sdl s THR 4 CO 0.08 0.00 1.97 -0.65 -0.54 0.00 0.00 174.62 175.48 1sdl h PRO 5 N -1.07 0.22 -0.45 3.99 0.11 -2.00 -0.72 132.00 132.09 1sdl h PRO 5 Ca -0.44 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 1sdl h PRO 5 Cb 1.29 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1sdl h PRO 5 CO 0.55 0.31 0.06 1.49 -0.21 0.00 0.00 178.00 180.20 1sdl h GLU 6 N 0.22 0.75 -0.51 1.05 4.81 -1.99 0.94 114.58 119.85 1sdl h GLU 6 Ca 0.05 -0.21 -0.09 0.00 -0.13 0.00 0.00 59.36 58.98 1sdl h GLU 6 Cb 0.27 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1sdl h GLU 6 CO 0.01 0.77 -0.04 0.93 -0.73 0.00 0.00 179.01 179.95 1sdl h GLU 7 N 0.60 0.92 -0.52 1.92 5.08 -1.77 -1.44 114.58 119.38 1sdl h GLU 7 Ca 0.13 -0.32 0.05 0.00 -1.00 0.00 0.00 59.36 58.23 1sdl h GLU 7 Cb 0.40 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 1sdl h GLU 7 CO 0.01 0.97 0.25 -0.22 -1.00 0.00 0.00 179.01 179.02 1sdl h LYS 8 N 0.78 0.47 -0.39 2.33 1.63 -0.91 -0.04 116.57 120.46 1sdl h LYS 8 Ca 0.14 -0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.81 1sdl h LYS 8 Cb 0.58 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.09 1sdl h LYS 8 CO 0.03 0.31 -0.16 0.77 -3.45 0.00 0.00 179.45 176.96 1sdl h SER 9 N 0.49 0.81 -0.52 4.20 0.02 -0.63 -1.55 113.55 116.37 1sdl h SER 9 Ca 0.23 -0.39 -0.06 0.00 -0.84 0.00 0.00 61.79 60.73 1sdl h SER 9 Cb 0.16 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 1sdl h SER 9 CO -0.18 1.02 0.07 0.00 -1.14 0.00 0.00 176.83 176.61 1sdl h ALA 10 N 0.82 0.69 -0.20 3.77 0.00 -0.98 -0.76 119.26 122.59 1sdl h ALA 10 Ca 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1sdl h ALA 10 Cb 0.70 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1sdl h ALA 10 CO 0.05 0.44 0.08 0.28 0.00 0.00 0.00 179.25 180.11 1sdl h VAL 11 N 0.75 1.16 -0.51 0.00 2.07 -0.95 -2.62 116.25 116.15 1sdl h VAL 11 Ca 0.16 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1sdl h VAL 11 Cb 0.42 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1sdl h VAL 11 CO 0.01 0.15 0.28 0.74 0.02 0.00 0.00 177.57 178.77 1sdl h THR 12 N 0.18 1.18 -0.26 2.57 2.02 -1.19 -1.85 112.91 115.56 1sdl h THR 12 Ca 0.07 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 1sdl h THR 12 Cb 0.16 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1sdl h THR 12 CO -0.01 0.19 0.12 0.00 0.37 0.00 0.00 175.52 176.19 1sdl h ALA 13 N 1.12 0.34 -0.36 6.16 0.00 -1.10 -2.32 119.26 123.10 1sdl h ALA 13 Ca 0.18 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1sdl h ALA 13 Cb 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1sdl h ALA 13 CO -0.03 -0.09 0.08 1.25 0.00 0.00 0.00 179.25 180.46 1sdl h LEU 14 N 0.28 0.55 -1.48 0.00 7.12 -1.40 -2.91 115.31 117.47 1sdl h LEU 14 Ca 0.09 -0.24 0.04 0.00 0.13 0.00 0.00 57.88 57.90 1sdl h LEU 14 Cb 0.15 -0.14 -0.03 0.00 -0.53 0.00 0.00 40.66 40.10 1sdl h LEU 14 CO -0.01 0.64 0.40 -0.25 -0.13 0.00 0.00 178.44 179.09 1sdl h TRP 15 N 0.43 0.65 0.00 1.25 2.91 -1.20 0.82 115.95 120.80 1sdl h TRP 15 Ca 0.11 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.15 1sdl h TRP 15 Cb 0.32 -0.22 0.00 0.00 -0.51 0.00 0.00 29.16 28.75 1sdl h TRP 15 CO 0.02 0.37 0.00 0.41 -1.03 0.00 0.00 178.44 178.21 1sdl n GLY 16 N -1.47 -0.87 0.41 2.65 0.00 -0.88 -1.90 105.19 103.13 1sdl n GLY 16 Ca 0.08 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.17 1sdl n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sdl n LYS 17 N -1.52 1.01 -2.02 1.61 5.02 0.27 -4.97 118.16 117.56 1sdl n LYS 17 Ca 0.03 -0.83 -0.41 0.00 -2.02 0.00 0.00 58.31 55.07 1sdl n LYS 17 Cb 0.12 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.63 1sdl n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1sdl s VAL 18 N -2.57 2.67 -0.58 -0.18 1.01 -0.80 -4.97 120.40 114.99 1sdl s VAL 18 Ca 0.17 0.57 -0.20 0.00 0.00 0.00 0.00 61.98 62.51 1sdl s VAL 18 Cb 0.18 -3.36 0.08 0.00 0.00 0.00 0.00 36.38 33.27 1sdl s VAL 18 CO 0.62 0.09 0.77 0.21 0.00 0.00 0.00 175.10 176.79 1sdl s ASN 19 N 0.35 6.21 0.32 3.32 3.84 -1.26 -4.94 114.94 122.77 1sdl s ASN 19 Ca 0.59 -1.07 0.01 0.00 0.21 0.00 0.00 52.86 52.60 1sdl s ASN 19 Cb -0.42 -2.34 0.52 0.00 -0.55 0.00 0.00 41.25 38.46 1sdl s ASN 19 CO 0.43 -1.14 1.91 -0.37 -2.79 0.00 0.00 177.10 175.14 1sdl h VAL 20 N 5.93 1.20 -0.35 -5.21 -1.51 -1.98 -0.50 116.25 113.84 1sdl h VAL 20 Ca -0.28 -0.58 0.03 0.00 -1.23 0.00 0.00 66.70 64.63 1sdl h VAL 20 Cb 1.08 0.49 -0.03 0.00 -2.13 0.00 0.00 31.29 30.70 1sdl h VAL 20 CO 1.08 0.24 0.16 0.44 -1.23 0.00 0.00 177.57 178.26 1sdl h ASP 21 N 0.81 0.23 -0.11 4.19 5.19 -1.97 -1.69 116.42 123.08 1sdl h ASP 21 Ca 0.20 0.02 -0.17 0.00 -0.62 0.00 0.00 57.03 56.46 1sdl h ASP 21 Cb 0.12 -0.02 0.01 0.00 0.18 0.00 0.00 39.33 39.61 1sdl h ASP 21 CO -0.02 0.17 -0.58 -0.33 -3.12 0.00 0.00 179.24 175.36 1sdl h GLU 22 N 0.34 0.58 -0.08 3.56 5.08 -1.90 -3.34 114.58 118.82 1sdl h GLU 22 Ca 0.15 -0.48 -0.08 0.00 -1.00 0.00 0.00 59.36 57.94 1sdl h GLU 22 Cb 0.07 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1sdl h GLU 22 CO -0.11 1.11 -0.28 0.28 -1.00 0.00 0.00 179.01 179.00 1sdl h VAL 23 N 0.20 1.42 0.02 3.13 2.07 -1.04 -3.23 116.25 118.82 1sdl h VAL 23 Ca -0.04 -1.66 0.03 0.00 0.82 0.00 0.00 66.70 65.84 1sdl h VAL 23 Cb 1.22 2.28 -0.04 0.00 -1.52 0.00 0.00 31.29 33.24 1sdl h VAL 23 CO 0.12 0.48 -0.24 1.23 0.02 0.00 0.00 177.57 179.18 1sdl h GLY 24 N -0.17 -0.37 1.29 2.17 0.00 -1.47 0.20 103.07 104.72 1sdl h GLY 24 Ca -0.01 0.29 -0.09 0.00 0.00 0.00 0.00 47.33 47.51 1sdl h GLY 24 CO 0.06 -0.20 -0.07 -1.33 0.00 0.00 0.00 176.54 174.99 1sdl h GLY 25 N -0.39 0.91 0.98 4.60 0.00 -1.73 -1.86 103.07 105.59 1sdl h GLY 25 Ca 0.06 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 1sdl h GLY 25 CO -0.20 0.62 0.25 0.83 0.00 0.00 0.00 176.54 178.04 1sdl h GLU 26 N 0.77 0.61 0.47 4.80 4.39 -1.52 0.22 114.58 124.33 1sdl h GLU 26 Ca 0.13 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 1sdl h GLU 26 Cb 0.57 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1sdl h GLU 26 CO 0.03 0.48 -0.23 0.00 -1.16 0.00 0.00 179.01 178.14 1sdl h ALA 27 N 1.10 -0.63 -0.44 3.43 0.00 -0.72 -0.38 119.26 121.60 1sdl h ALA 27 Ca 0.16 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1sdl h ALA 27 Cb 0.04 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1sdl h ALA 27 CO -0.03 -0.84 0.04 1.25 0.00 0.00 0.00 179.25 179.68 1sdl h LEU 28 N -0.67 0.73 -0.57 0.00 5.85 -1.34 -2.06 115.31 117.25 1sdl h LEU 28 Ca -0.06 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.37 1sdl h LEU 28 Cb 0.50 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1sdl h LEU 28 CO 0.11 0.83 0.35 1.23 -0.34 0.00 0.00 178.44 180.61 1sdl h GLY 29 N 0.60 0.82 1.52 3.75 0.00 -0.51 -2.39 103.07 106.86 1sdl h GLY 29 Ca 0.13 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 1sdl h GLY 29 CO 0.01 0.33 0.05 3.21 0.00 0.00 0.00 176.54 180.14 1sdl h ARG 30 N 0.76 0.61 -0.23 4.80 3.08 -0.97 -1.54 114.38 120.89 1sdl h ARG 30 Ca 0.20 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 60.15 1sdl h ARG 30 Cb -0.03 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 1sdl h ARG 30 CO -0.04 0.59 0.12 1.25 -1.07 0.00 0.00 179.97 180.82 1sdl h LEU 31 N 0.59 0.18 -1.44 3.04 5.85 -0.90 0.47 115.31 123.09 1sdl h LEU 31 Ca 0.13 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 1sdl h LEU 31 Cb 0.29 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1sdl h LEU 31 CO 0.00 0.13 -0.28 -0.07 -0.34 0.00 0.00 178.44 177.89 1sdl h LEU 32 N 0.25 0.00 0.14 2.25 3.38 -0.92 -1.51 115.31 118.89 1sdl h LEU 32 Ca 0.09 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.81 1sdl h LEU 32 Cb 0.02 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.78 1sdl h LEU 32 CO -0.06 0.28 -1.22 0.58 0.09 0.00 0.00 178.44 178.11 1sdl h VAL 33 N 0.00 1.21 -0.19 1.22 2.07 -1.06 -3.32 116.25 116.18 1sdl h VAL 33 Ca -0.00 -2.47 -0.14 0.00 0.82 0.00 0.00 66.70 64.91 1sdl h VAL 33 Cb 0.50 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 33.18 1sdl h VAL 33 CO 0.04 0.72 -0.42 0.58 0.02 0.00 0.00 177.57 178.51 1sdl h VAL 34 N -0.29 1.33 -2.67 2.57 2.07 -0.90 -3.37 116.25 114.99 1sdl h VAL 34 Ca -0.25 -1.65 -0.61 0.00 0.82 0.00 0.00 66.70 65.01 1sdl h VAL 34 Cb 1.76 1.89 -0.42 0.00 -1.52 0.00 0.00 31.29 33.00 1sdl h VAL 34 CO 0.11 0.51 -0.60 -1.22 0.02 0.00 0.00 177.57 176.39 1sdl n TYR 35 N -4.23 3.22 0.21 1.57 4.01 -0.57 -4.99 117.16 116.37 1sdl n TYR 35 Ca -0.06 -4.21 0.18 0.00 -0.16 0.00 0.00 57.90 53.66 1sdl n TYR 35 Cb 0.55 -0.57 0.82 0.00 -0.31 0.00 0.00 39.34 39.83 1sdl n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1sdl h PRO 36 N 4.86 0.00 0.00 -0.72 0.14 -1.74 -0.86 132.00 133.69 1sdl h PRO 36 Ca 0.17 0.00 -0.01 0.00 0.14 0.00 0.00 66.00 66.30 1sdl h PRO 36 Cb 0.72 0.00 -0.00 0.00 0.14 0.00 0.00 31.00 31.86 1sdl h PRO 36 CO 0.75 0.00 -0.04 0.11 0.14 0.00 0.00 178.00 178.97 1sdl h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.93 -2.15 115.95 113.52 1sdl h TRP 37 Ca 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 58.89 59.06 1sdl h TRP 37 Cb 0.72 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.96 1sdl h TRP 37 CO 0.00 0.04 -0.09 1.79 0.09 0.00 0.00 178.44 180.27 1sdl h THR 38 N 0.00 0.49 -0.04 0.12 1.35 -1.47 -2.58 112.91 110.77 1sdl h THR 38 Ca -0.00 -0.43 0.01 0.00 -0.55 0.00 0.00 66.41 65.44 1sdl h THR 38 Cb 0.29 1.29 -0.00 0.00 -1.73 0.00 0.00 68.15 68.00 1sdl h THR 38 CO 0.00 0.09 0.09 1.56 -0.25 0.00 0.00 175.52 177.01 1sdl h GLN 39 N 0.00 0.00 -0.56 4.72 4.20 -1.58 -2.44 115.11 119.45 1sdl h GLN 39 Ca -0.00 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.79 1sdl h GLN 39 Cb 0.28 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 1sdl h GLN 39 CO 0.01 0.00 0.37 -0.09 -0.67 0.00 0.00 178.83 178.45 1sdl h ARG 40 N 0.00 0.42 0.00 1.46 2.43 -1.67 -1.72 114.38 115.30 1sdl h ARG 40 Ca 0.02 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1sdl h ARG 40 Cb 0.20 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1sdl h ARG 40 CO -0.00 0.28 -0.12 1.19 -1.51 0.00 0.00 179.97 179.81 1sdl n PHE 41 N -4.47 0.35 -1.33 2.20 3.72 -0.92 -3.84 117.46 113.17 1sdl n PHE 41 Ca 0.08 0.10 0.08 0.00 -0.05 0.00 0.00 57.45 57.66 1sdl n PHE 41 Cb 0.31 -0.63 0.18 0.00 -0.94 0.00 0.00 39.48 38.40 1sdl n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1sdl n PHE 42 N -1.80 0.02 -0.32 1.38 3.72 -0.66 -4.77 117.46 115.03 1sdl n PHE 42 Ca 0.06 -1.24 0.19 0.00 -0.05 0.00 0.00 57.45 56.40 1sdl n PHE 42 Cb 0.38 -0.20 0.44 0.00 -0.94 0.00 0.00 39.48 39.15 1sdl n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1sdl h GLU 43 N 0.50 0.51 0.00 -1.08 5.08 -1.64 0.10 114.58 118.06 1sdl h GLU 43 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1sdl h GLU 43 Cb 1.01 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1sdl h GLU 43 CO 0.01 0.34 0.00 -1.13 -1.00 0.00 0.00 179.01 177.22 1sdl n SER 44 N -4.68 0.00 -0.03 1.42 3.41 -1.26 -1.65 113.62 110.83 1sdl n SER 44 Ca 0.24 0.38 0.14 0.00 -0.26 0.00 0.00 58.87 59.37 1sdl n SER 44 Cb 0.74 -0.43 0.56 0.00 -0.26 0.00 0.00 64.21 64.82 1sdl n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1sdl n PHE 45 N -1.43 0.00 0.00 7.33 3.01 0.35 -5.03 117.46 121.70 1sdl n PHE 45 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 1sdl n PHE 45 Cb 0.10 -0.34 0.00 0.00 -0.01 0.00 0.00 39.48 39.23 1sdl n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sdl n GLY 46 N 1.42 0.39 3.69 1.37 0.00 -0.66 -4.85 105.19 106.54 1sdl n GLY 46 Ca 0.09 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 1sdl n GLY 46 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1sdl s ASP 47 N -4.00 6.98 -0.00 1.61 -4.77 -1.26 -4.85 116.67 110.37 1sdl s ASP 47 Ca 0.00 1.19 0.15 0.00 -3.30 0.00 0.00 52.55 50.59 1sdl s ASP 47 Cb 0.00 -2.44 0.25 0.00 -1.09 0.00 0.00 42.92 39.64 1sdl s ASP 47 CO 0.00 -0.29 1.10 0.18 0.70 0.00 0.00 175.17 176.86 1sdl n LEU 48 N 4.68 0.64 0.14 2.11 4.77 -1.26 -4.35 117.00 123.73 1sdl n LEU 48 Ca 0.02 -1.64 0.01 0.00 -0.03 0.00 0.00 56.01 54.38 1sdl n LEU 48 Cb 0.50 -0.01 0.32 0.00 -2.33 0.00 0.00 43.42 41.89 1sdl n LEU 48 CO 0.48 0.41 0.73 0.28 -1.33 0.00 0.00 177.39 177.96 1sdl h SER 49 N 0.58 0.12 -3.39 -1.43 0.02 -1.94 -3.44 113.55 104.08 1sdl h SER 49 Ca -0.13 -0.04 -0.45 0.00 -0.84 0.00 0.00 61.79 60.33 1sdl h SER 49 Cb 1.67 -0.03 -0.14 0.00 0.14 0.00 0.00 62.40 64.04 1sdl h SER 49 CO 0.06 0.46 -0.64 0.42 -1.14 0.00 0.00 176.83 175.99 1sdl s THR 50 N -4.28 1.25 0.19 -2.27 -4.23 -1.26 -5.02 115.64 100.02 1sdl s THR 50 Ca -0.04 -2.04 -0.12 0.00 -1.18 0.00 0.00 61.69 58.31 1sdl s THR 50 Cb 0.14 -2.56 0.10 0.00 1.34 0.00 0.00 72.50 71.53 1sdl s THR 50 CO 0.74 -0.18 1.81 -0.65 -0.54 0.00 0.00 174.62 175.80 1sdl h PRO 51 N 2.28 0.62 -0.70 3.99 0.11 -1.98 -1.46 132.00 134.85 1sdl h PRO 51 Ca -0.40 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1sdl h PRO 51 Cb 1.23 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1sdl h PRO 51 CO 0.67 0.41 0.31 -0.44 -0.21 0.00 0.00 178.00 178.74 1sdl h ASP 52 N 0.63 0.92 0.01 -2.05 3.32 -1.97 0.18 116.42 117.46 1sdl h ASP 52 Ca 0.25 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 1sdl h ASP 52 Cb 0.10 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.41 1sdl h ASP 52 CO -0.14 0.80 -0.01 0.00 -1.72 0.00 0.00 179.24 178.18 1sdl h ALA 53 N 1.34 -0.01 0.27 3.45 0.00 -1.71 -1.81 119.26 120.79 1sdl h ALA 53 Ca 0.24 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1sdl h ALA 53 Cb 0.14 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1sdl h ALA 53 CO -0.03 -0.46 -0.21 0.28 0.00 0.00 0.00 179.25 178.83 1sdl h VAL 54 N -0.11 0.55 0.00 0.00 2.07 -0.86 -1.85 116.25 116.06 1sdl h VAL 54 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1sdl h VAL 54 Cb 0.10 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1sdl h VAL 54 CO 0.00 0.00 0.00 0.23 0.02 0.00 0.00 177.57 177.82 1sdl n MET 55 N -5.34 0.13 -0.00 1.57 2.81 0.59 -2.02 117.12 114.87 1sdl n MET 55 Ca -0.09 0.42 0.09 0.00 -1.81 0.00 0.00 57.70 56.31 1sdl n MET 55 Cb 0.25 -1.78 0.07 0.00 -0.71 0.00 0.00 33.22 31.05 1sdl n MET 55 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sdl n GLY 56 N -0.28 0.34 3.63 3.03 0.00 -0.69 -4.93 105.19 106.29 1sdl n GLY 56 Ca 0.02 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 1sdl n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sdl s ASN 57 N -1.43 6.55 0.52 1.61 3.84 -0.74 -4.93 114.94 120.36 1sdl s ASN 57 Ca 0.20 1.37 0.16 0.00 0.21 0.00 0.00 52.86 54.81 1sdl s ASN 57 Cb 0.14 -2.54 1.26 0.00 -0.55 0.00 0.00 41.25 39.57 1sdl s ASN 57 CO 0.22 -1.16 2.14 1.55 -2.79 0.00 0.00 177.10 177.06 1sdl h PRO 58 N 9.89 0.01 -0.44 0.43 0.13 -1.91 -2.06 132.00 138.06 1sdl h PRO 58 Ca -0.29 -0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.70 1sdl h PRO 58 Cb 1.12 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1sdl h PRO 58 CO 1.02 0.01 -0.27 0.87 -0.23 0.00 0.00 178.00 179.40 1sdl h LYS 59 N 0.01 0.93 -0.56 0.86 1.57 -1.91 -0.90 116.57 116.57 1sdl h LYS 59 Ca 0.01 -0.42 -0.02 0.00 -1.87 0.00 0.00 60.65 58.35 1sdl h LYS 59 Cb 0.03 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1sdl h LYS 59 CO -0.00 1.08 0.28 0.28 -0.57 0.00 0.00 179.45 180.52 1sdl h VAL 60 N 0.79 1.20 -0.56 0.50 2.07 -1.72 0.12 116.25 118.66 1sdl h VAL 60 Ca 0.09 -0.56 -0.06 0.00 0.82 0.00 0.00 66.70 66.99 1sdl h VAL 60 Cb 0.84 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1sdl h VAL 60 CO 0.07 0.23 0.10 0.11 0.02 0.00 0.00 177.57 178.10 1sdl h LYS 61 N 0.76 0.91 -0.19 1.57 1.57 -1.25 -1.60 116.57 118.34 1sdl h LYS 61 Ca 0.19 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1sdl h LYS 61 Cb 0.11 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1sdl h LYS 61 CO -0.03 0.87 -0.04 0.00 -0.57 0.00 0.00 179.45 179.69 1sdl h ALA 62 N 1.00 0.26 -0.58 3.86 0.00 -0.85 -3.00 119.26 119.96 1sdl h ALA 62 Ca 0.17 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1sdl h ALA 62 Cb 0.39 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1sdl h ALA 62 CO 0.01 0.03 0.29 1.25 0.00 0.00 0.00 179.25 180.82 1sdl h HIS 63 N 0.09 0.79 -0.97 0.00 -0.00 -0.71 -2.37 115.15 111.98 1sdl h HIS 63 Ca 0.05 -0.02 0.08 0.00 -0.00 0.00 0.00 60.37 60.48 1sdl h HIS 63 Cb 0.47 -0.25 -0.07 0.00 -0.00 0.00 0.00 27.41 27.56 1sdl h HIS 63 CO 0.05 0.58 0.62 0.78 -0.00 0.00 0.00 177.93 179.95 1sdl h GLY 64 N 0.89 1.51 1.06 5.26 0.00 -1.17 -0.12 103.07 110.50 1sdl h GLY 64 Ca 0.20 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.05 1sdl h GLY 64 CO -0.03 0.26 0.30 0.50 0.00 0.00 0.00 176.54 177.58 1sdl h LYS 65 N 1.07 1.19 -0.55 4.80 1.57 -1.29 -1.26 116.57 122.10 1sdl h LYS 65 Ca 0.44 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.96 1sdl h LYS 65 Cb 0.27 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1sdl h LYS 65 CO -0.20 0.97 0.18 0.87 -0.57 0.00 0.00 179.45 180.70 1sdl h LYS 66 N 1.16 0.85 -0.58 3.15 1.57 -1.08 -1.15 116.57 120.49 1sdl h LYS 66 Ca 0.26 -0.18 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1sdl h LYS 66 Cb 0.24 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 1sdl h LYS 66 CO -0.02 0.77 0.36 0.28 -0.57 0.00 0.00 179.45 180.26 1sdl h VAL 67 N 0.76 1.07 -0.15 0.50 2.07 -0.65 -1.35 116.25 118.50 1sdl h VAL 67 Ca 0.18 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1sdl h VAL 67 Cb 0.26 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1sdl h VAL 67 CO -0.01 0.13 -0.04 -0.07 0.02 0.00 0.00 177.57 177.60 1sdl h LEU 68 N 0.71 0.20 -1.56 2.57 4.07 -0.72 -1.12 115.31 119.45 1sdl h LEU 68 Ca 0.23 -0.03 -0.03 0.00 0.08 0.00 0.00 57.88 58.13 1sdl h LEU 68 Cb 0.01 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 1sdl h LEU 68 CO -0.10 0.28 -0.06 1.23 -1.08 0.00 0.00 178.44 178.72 1sdl h GLY 69 N 0.54 0.23 1.46 0.83 0.00 -0.09 -1.32 103.07 104.72 1sdl h GLY 69 Ca 0.05 -0.12 -0.20 0.00 0.00 0.00 0.00 47.33 47.06 1sdl h GLY 69 CO 0.01 0.11 -0.76 0.00 0.00 0.00 0.00 176.54 175.90 1sdl h ALA 70 N 1.74 0.49 -0.69 3.60 0.00 -0.77 -2.74 119.26 120.89 1sdl h ALA 70 Ca 0.05 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 1sdl h ALA 70 Cb 0.24 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1sdl h ALA 70 CO 0.01 0.74 0.35 0.74 0.00 0.00 0.00 179.25 181.09 1sdl h PHE 71 N 0.35 0.97 -0.75 0.00 -1.00 -0.95 -2.45 116.94 113.12 1sdl h PHE 71 Ca -0.04 -0.04 0.11 0.00 2.81 0.00 0.00 57.97 60.81 1sdl h PHE 71 Cb 1.36 -0.31 -0.08 0.00 3.61 0.00 0.00 35.95 40.53 1sdl h PHE 71 CO 0.06 0.71 0.36 0.77 -1.61 0.00 0.00 178.31 178.60 1sdl h SER 72 N 0.95 0.45 -0.15 2.17 0.02 -1.06 -0.46 113.55 115.47 1sdl h SER 72 Ca 0.24 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1sdl h SER 72 Cb 0.08 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1sdl h SER 72 CO -0.03 0.23 0.08 0.44 -1.14 0.00 0.00 176.83 176.41 1sdl h ASP 73 N 0.58 0.19 -0.90 3.07 3.32 -1.18 -1.11 116.42 120.40 1sdl h ASP 73 Ca 0.38 -0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.36 1sdl h ASP 73 Cb 0.47 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.92 1sdl h ASP 73 CO -0.31 0.23 0.59 1.23 -1.72 0.00 0.00 179.24 179.27 1sdl h GLY 74 N 0.13 1.28 2.00 2.75 0.00 -0.97 0.72 103.07 108.99 1sdl h GLY 74 Ca 0.05 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 1sdl h GLY 74 CO -0.01 0.42 -0.16 1.41 0.00 0.00 0.00 176.54 178.20 1sdl h LEU 75 N 1.17 0.00 -0.50 3.11 3.38 -0.61 -0.86 115.31 121.00 1sdl h LEU 75 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1sdl h LEU 75 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1sdl h LEU 75 CO -0.09 0.16 -0.10 0.00 0.09 0.00 0.00 178.44 178.50 1sdl n ALA 76 N -2.34 2.77 -3.06 1.53 0.00 0.15 -4.22 120.51 115.34 1sdl n ALA 76 Ca -0.02 -0.35 -0.16 0.00 0.00 0.00 0.00 53.44 52.92 1sdl n ALA 76 Cb 0.26 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1sdl n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1sdl n HIS 77 N -0.53 -0.52 0.25 0.00 8.25 -0.36 -4.98 115.22 117.33 1sdl n HIS 77 Ca 0.17 -3.38 0.09 0.00 -0.26 0.00 0.00 57.72 54.34 1sdl n HIS 77 Cb 0.30 0.08 0.65 0.00 1.12 0.00 0.00 29.99 32.14 1sdl n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1sdl h LEU 78 N 2.99 0.00 -0.43 2.41 3.38 -1.64 -2.10 115.31 119.93 1sdl h LEU 78 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1sdl h LEU 78 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1sdl h LEU 78 CO 0.41 0.11 -0.14 -0.90 0.09 0.00 0.00 178.44 178.01 1sdl n ASP 79 N -4.10 0.80 -3.07 -0.43 5.75 -1.26 -4.37 116.55 109.87 1sdl n ASP 79 Ca -0.02 -0.85 -0.17 0.00 -0.01 0.00 0.00 54.79 53.73 1sdl n ASP 79 Cb 0.19 0.01 -0.01 0.00 -1.03 0.00 0.00 41.12 40.28 1sdl n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1sdl n ASN 80 N -0.67 -0.26 -0.10 -1.12 4.05 -0.79 -4.93 115.26 111.44 1sdl n ASN 80 Ca 0.15 -3.06 -0.12 0.00 0.45 0.00 0.00 54.58 52.01 1sdl n ASN 80 Cb 0.31 0.04 -0.04 0.00 1.23 0.00 0.00 39.78 41.31 1sdl n ASN 80 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1sdl h LEU 81 N 3.40 0.57 -0.74 1.20 3.38 -1.75 -2.13 115.31 119.23 1sdl h LEU 81 Ca 0.03 -0.37 0.14 0.00 0.09 0.00 0.00 57.88 57.78 1sdl h LEU 81 Cb 0.97 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 41.47 1sdl h LEU 81 CO 0.41 0.80 0.27 0.50 0.09 0.00 0.00 178.44 180.51 1sdl h LYS 82 N 0.33 0.38 -0.07 1.13 3.64 -1.91 0.60 116.57 120.66 1sdl h LYS 82 Ca 0.07 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.28 1sdl h LYS 82 Cb 0.55 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1sdl h LYS 82 CO 0.03 0.25 -0.55 0.78 -2.27 0.00 0.00 179.45 177.70 1sdl h GLY 83 N 0.39 0.55 0.62 5.01 0.00 -1.94 -2.76 103.07 104.94 1sdl h GLY 83 Ca 0.41 -0.83 0.08 0.00 0.00 0.00 0.00 47.33 47.00 1sdl h GLY 83 CO -0.43 0.73 0.57 -0.84 0.00 0.00 0.00 176.54 176.58 1sdl h THR 84 N 0.07 0.99 -0.61 4.70 2.02 -0.90 -2.92 112.91 116.27 1sdl h THR 84 Ca -0.05 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1sdl h THR 84 Cb 1.21 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1sdl h THR 84 CO 0.11 0.18 0.00 0.49 0.37 0.00 0.00 175.52 176.67 1sdl n PHE 85 N -4.62 0.81 -0.33 3.16 3.72 0.16 -4.63 117.46 115.73 1sdl n PHE 85 Ca 0.15 -0.40 -0.02 0.00 -0.05 0.00 0.00 57.45 57.13 1sdl n PHE 85 Cb 0.24 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 38.89 1sdl n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1sdl h ALA 86 N 4.23 1.16 -0.24 4.37 0.00 -1.29 -0.30 119.26 127.19 1sdl h ALA 86 Ca 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1sdl h ALA 86 Cb 0.88 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1sdl h ALA 86 CO 0.00 0.46 -0.06 1.15 0.00 0.00 0.00 179.25 180.80 1sdl h THR 87 N 1.14 1.28 -0.31 0.00 2.02 -1.83 -2.26 112.91 112.95 1sdl h THR 87 Ca 0.35 -1.06 -0.04 0.00 0.77 0.00 0.00 66.41 66.43 1sdl h THR 87 Cb -0.04 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1sdl h THR 87 CO -0.10 0.33 0.02 0.25 0.37 0.00 0.00 175.52 176.39 1sdl h LEU 88 N 0.21 0.43 -0.62 2.58 5.85 -1.82 -1.34 115.31 120.60 1sdl h LEU 88 Ca 0.06 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 1sdl h LEU 88 Cb 0.52 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1sdl h LEU 88 CO 0.02 0.48 0.09 -1.28 -0.34 0.00 0.00 178.44 177.42 1sdl h SER 89 N 0.46 0.99 -0.14 1.25 0.87 -0.86 -0.21 113.55 115.91 1sdl h SER 89 Ca 0.10 -0.26 -0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1sdl h SER 89 Cb 0.26 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 1sdl h SER 89 CO 0.00 1.00 0.08 -0.08 -0.53 0.00 0.00 176.83 177.30 1sdl h GLU 90 N 0.93 0.20 0.08 2.24 4.81 -0.81 0.11 114.58 122.14 1sdl h GLU 90 Ca 0.19 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 1sdl h GLU 90 Cb 0.44 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 1sdl h GLU 90 CO 0.01 0.21 -0.33 1.25 -0.73 0.00 0.00 179.01 179.42 1sdl h LEU 91 N 0.13 -0.97 -1.12 1.64 6.46 -1.02 0.12 115.31 120.56 1sdl h LEU 91 Ca 0.05 0.12 -0.04 0.00 -0.12 0.00 0.00 57.88 57.88 1sdl h LEU 91 Cb 0.07 0.38 -0.02 0.00 -0.73 0.00 0.00 40.66 40.35 1sdl h LEU 91 CO -0.01 -0.41 0.14 0.45 -0.62 0.00 0.00 178.44 178.00 1sdl h HIS 92 N -0.53 0.78 0.00 1.25 3.86 -0.87 -0.93 115.15 118.71 1sdl h HIS 92 Ca 0.04 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1sdl h HIS 92 Cb 0.58 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.82 1sdl h HIS 92 CO -0.32 0.65 -0.13 0.00 0.86 0.00 0.00 177.93 179.00 1sdl h ASP 94 N -0.86 0.32 0.29 0.00 3.32 -1.11 -2.64 116.42 115.75 1sdl h ASP 94 Ca 0.00 -0.59 -0.33 0.00 0.02 0.00 0.00 57.03 56.12 1sdl h ASP 94 Cb 0.13 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1sdl h ASP 94 CO 0.00 0.86 -1.75 0.50 -1.72 0.00 0.00 179.24 177.12 1sdl h LYS 95 N -0.19 0.26 0.00 3.56 3.64 -1.39 -3.40 116.57 119.05 1sdl h LYS 95 Ca -0.00 -0.45 -0.25 0.00 -1.27 0.00 0.00 60.65 58.68 1sdl h LYS 95 Cb 0.82 0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.76 1sdl h LYS 95 CO 0.05 1.12 -2.04 1.28 -2.27 0.00 0.00 179.45 177.58 1sdl n LEU 96 N -3.45 0.26 -1.87 5.20 4.77 -0.41 -5.00 117.00 116.50 1sdl n LEU 96 Ca -0.23 0.12 -0.15 0.00 -0.03 0.00 0.00 56.01 55.71 1sdl n LEU 96 Cb 1.05 0.28 0.01 0.00 -2.33 0.00 0.00 43.42 42.43 1sdl n LEU 96 CO 0.48 0.31 -0.11 1.41 -1.33 0.00 0.00 177.39 178.15 1sdl n HIS 97 N -2.71 -0.96 -2.50 -1.77 8.25 -0.41 -4.97 115.22 110.15 1sdl n HIS 97 Ca -0.21 0.14 -0.41 0.00 -0.26 0.00 0.00 57.72 56.98 1sdl n HIS 97 Cb 0.96 -3.23 -0.04 0.00 1.12 0.00 0.00 29.99 28.81 1sdl n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1sdl s VAL 98 N -2.83 4.03 0.28 1.59 1.01 -0.61 -5.00 120.40 118.87 1sdl s VAL 98 Ca 0.08 1.60 -0.29 0.00 0.00 0.00 0.00 61.98 63.37 1sdl s VAL 98 Cb -0.04 -4.02 -0.10 0.00 0.00 0.00 0.00 36.38 32.22 1sdl s VAL 98 CO 0.10 0.21 1.18 -0.62 0.00 0.00 0.00 175.10 175.97 1sdl s ASP 99 N 0.44 7.08 0.67 3.32 -1.08 -1.26 -4.79 116.67 121.04 1sdl s ASP 99 Ca 0.53 2.40 0.44 0.00 -0.52 0.00 0.00 52.55 55.40 1sdl s ASP 99 Cb -0.29 -2.63 2.41 0.00 -1.46 0.00 0.00 42.92 40.95 1sdl s ASP 99 CO 0.32 -0.30 2.37 -0.65 0.52 0.00 0.00 175.17 177.42 1sdl h PRO 100 N 3.93 0.00 -0.50 4.34 0.11 -1.98 -1.57 132.00 136.33 1sdl h PRO 100 Ca -0.47 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.71 1sdl h PRO 100 Cb 1.22 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1sdl h PRO 100 CO 0.68 0.00 0.34 1.49 -0.21 0.00 0.00 178.00 180.30 1sdl h GLU 101 N 0.00 0.36 0.00 1.05 4.57 -1.99 -1.03 114.58 117.54 1sdl h GLU 101 Ca -0.00 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 1sdl h GLU 101 Cb 0.02 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.52 1sdl h GLU 101 CO 0.00 0.24 -0.10 -0.91 -1.18 0.00 0.00 179.01 177.06 1sdl h ASN 102 N 0.37 0.00 -0.60 1.04 4.21 -1.66 -2.31 115.58 116.63 1sdl h ASN 102 Ca 0.22 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.66 1sdl h ASN 102 Cb 0.41 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.58 1sdl h ASN 102 CO -0.05 0.10 0.08 -0.26 -1.29 0.00 0.00 177.43 176.00 1sdl h PHE 103 N 0.00 1.09 -0.42 1.19 0.04 -1.35 -0.45 116.94 117.04 1sdl h PHE 103 Ca -0.00 -0.15 -0.07 0.00 2.80 0.00 0.00 57.97 60.55 1sdl h PHE 103 Cb 0.49 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 1sdl h PHE 103 CO 0.00 0.93 -0.00 0.00 -0.60 0.00 0.00 178.31 178.64 1sdl h ARG 104 N 0.96 0.74 -0.25 1.51 3.08 -1.47 -1.50 114.38 117.46 1sdl h ARG 104 Ca 0.19 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1sdl h ARG 104 Cb 0.44 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1sdl h ARG 104 CO 0.01 0.82 0.13 -0.07 -1.07 0.00 0.00 179.97 179.80 1sdl h LEU 105 N 0.58 0.31 -0.83 3.04 3.38 -1.14 -1.31 115.31 119.34 1sdl h LEU 105 Ca 0.12 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1sdl h LEU 105 Cb 0.49 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1sdl h LEU 105 CO 0.02 0.31 0.47 0.25 0.09 0.00 0.00 178.44 179.58 1sdl h LEU 106 N 0.29 1.02 -0.79 1.67 5.85 -1.00 -0.69 115.31 121.65 1sdl h LEU 106 Ca 0.09 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.77 1sdl h LEU 106 Cb 0.07 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.79 1sdl h LEU 106 CO -0.01 0.81 0.49 1.23 -0.34 0.00 0.00 178.44 180.61 1sdl h GLY 107 N 1.14 1.18 1.17 3.75 0.00 -0.90 0.73 103.07 110.14 1sdl h GLY 107 Ca 0.29 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 47.17 1sdl h GLY 107 CO -0.05 0.26 -0.00 3.43 0.00 0.00 0.00 176.54 180.18 1sdl h ASN 108 N 0.91 0.96 -0.38 0.19 -0.26 -0.56 -1.17 115.58 115.28 1sdl h ASN 108 Ca 0.34 -0.27 -0.05 0.00 -0.56 0.00 0.00 56.30 55.77 1sdl h ASN 108 Cb 0.12 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.11 1sdl h ASN 108 CO -0.15 1.02 0.06 0.58 -1.06 0.00 0.00 177.43 177.88 1sdl h VAL 109 N 0.91 1.24 -0.68 2.81 2.07 -0.72 -1.89 116.25 119.99 1sdl h VAL 109 Ca 0.16 -0.86 0.09 0.00 0.82 0.00 0.00 66.70 66.91 1sdl h VAL 109 Cb 0.53 1.07 -0.07 0.00 -1.52 0.00 0.00 31.29 31.30 1sdl h VAL 109 CO 0.03 0.29 0.33 0.25 0.02 0.00 0.00 177.57 178.49 1sdl h LEU 110 N 0.48 0.42 -0.55 2.57 5.85 -0.50 -0.46 115.31 123.12 1sdl h LEU 110 Ca 0.12 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.94 1sdl h LEU 110 Cb 0.37 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 1sdl h LEU 110 CO 0.01 0.25 0.30 0.58 -0.34 0.00 0.00 178.44 179.23 1sdl h VAL 111 N 0.57 0.97 -0.75 1.05 2.07 -0.80 0.97 116.25 120.33 1sdl h VAL 111 Ca 0.33 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.62 1sdl h VAL 111 Cb 0.35 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 1sdl h VAL 111 CO -0.26 0.10 0.33 0.00 0.02 0.00 0.00 177.57 177.76 1sdl h VAL 113 N 1.08 1.27 -0.82 0.00 2.07 -0.47 0.12 116.25 119.50 1sdl h VAL 113 Ca 0.26 -1.21 -0.03 0.00 0.82 0.00 0.00 66.70 66.53 1sdl h VAL 113 Cb 0.16 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1sdl h VAL 113 CO -0.03 0.43 0.38 -0.07 0.02 0.00 0.00 177.57 178.31 1sdl h LEU 114 N 0.92 1.09 -0.86 2.57 3.38 -0.55 -0.14 115.31 121.72 1sdl h LEU 114 Ca 0.15 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1sdl h LEU 114 Cb 0.62 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1sdl h LEU 114 CO 0.04 0.93 -0.03 0.00 0.09 0.00 0.00 178.44 179.47 1sdl h ALA 115 N 1.20 1.05 -0.56 1.53 0.00 -0.91 0.12 119.26 121.69 1sdl h ALA 115 Ca 0.28 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1sdl h ALA 115 Cb 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1sdl h ALA 115 CO -0.03 0.59 0.23 1.25 0.00 0.00 0.00 179.25 181.29 1sdl h HIS 116 N 0.75 0.85 -0.06 0.00 -0.00 -0.04 0.18 115.15 116.83 1sdl h HIS 116 Ca 0.14 -0.06 -0.24 0.00 -0.00 0.00 0.00 60.37 60.21 1sdl h HIS 116 Cb 0.50 -0.25 0.01 0.00 -0.00 0.00 0.00 27.41 27.67 1sdl h HIS 116 CO 0.03 0.68 -0.91 1.25 -0.00 0.00 0.00 177.93 178.98 1sdl h HIS 117 N 0.76 0.95 0.00 5.26 6.17 -0.77 -3.35 115.15 124.18 1sdl h HIS 117 Ca 0.19 -0.47 0.00 0.00 0.71 0.00 0.00 60.37 60.80 1sdl h HIS 117 Cb 0.19 -0.13 0.00 0.00 2.52 0.00 0.00 27.41 29.99 1sdl h HIS 117 CO 0.01 1.30 -0.97 1.19 0.71 0.00 0.00 177.93 180.16 1sdl n PHE 118 N -3.86 0.00 -2.35 5.26 3.72 0.39 -5.05 117.46 115.56 1sdl n PHE 118 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1sdl n PHE 118 Cb 0.81 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.32 1sdl n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sdl n GLY 119 N 1.50 2.77 0.35 1.37 0.00 0.64 -2.31 105.19 109.51 1sdl n GLY 119 Ca 0.04 -0.25 0.18 0.00 0.00 0.00 0.00 46.02 45.99 1sdl n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sdl h LYS 120 N 0.00 0.00 0.00 1.61 6.56 -1.97 -0.25 116.57 122.52 1sdl h LYS 120 Ca 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.58 1sdl h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1sdl h LYS 120 CO 0.00 0.00 -0.03 1.49 -2.06 0.00 0.00 179.45 178.85 1sdl h GLU 121 N 0.00 0.00 -3.39 3.15 4.81 -1.86 -3.30 114.58 113.99 1sdl h GLU 121 Ca 0.09 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.59 1sdl h GLU 121 Cb 0.70 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.00 1sdl h GLU 121 CO -0.00 0.03 2.70 0.34 -0.73 0.00 0.00 179.01 181.35 1sdl n PHE 122 N -3.15 2.95 -0.78 0.92 7.35 -0.11 -4.96 117.46 119.69 1sdl n PHE 122 Ca 0.00 -2.89 -0.29 0.00 -0.76 0.00 0.00 57.45 53.51 1sdl n PHE 122 Cb 0.31 -2.18 0.21 0.00 0.35 0.00 0.00 39.48 38.17 1sdl n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1sdl s THR 123 N 1.16 2.13 0.28 -2.13 -4.23 -1.25 -4.70 115.64 106.90 1sdl s THR 123 Ca 0.49 0.04 -0.02 0.00 -1.18 0.00 0.00 61.69 61.02 1sdl s THR 123 Cb 0.14 -2.24 0.27 0.00 1.34 0.00 0.00 72.50 72.00 1sdl s THR 123 CO -0.05 -0.06 1.93 -0.65 -0.54 0.00 0.00 174.62 175.26 1sdl h PRO 124 N -2.25 1.13 -0.25 3.99 0.11 -1.93 -0.41 132.00 132.39 1sdl h PRO 124 Ca -0.56 -0.07 -0.13 0.00 0.11 0.00 0.00 66.00 65.35 1sdl h PRO 124 Cb 1.32 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1sdl h PRO 124 CO 0.51 0.75 -0.40 -1.35 -0.21 0.00 0.00 178.00 177.30 1sdl h PRO 125 N 1.16 0.58 -0.46 1.05 0.11 -1.99 -1.60 132.00 130.86 1sdl h PRO 125 Ca 0.36 -0.30 -0.13 0.00 0.11 0.00 0.00 66.00 66.04 1sdl h PRO 125 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 1sdl h PRO 125 CO -0.11 0.88 -0.24 0.28 -0.21 0.00 0.00 178.00 178.61 1sdl h VAL 126 N 0.48 1.27 -0.67 3.15 2.07 -1.80 -2.21 116.25 118.54 1sdl h VAL 126 Ca 0.04 -1.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.14 1sdl h VAL 126 Cb 0.90 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 1sdl h VAL 126 CO 0.08 0.48 0.36 -0.61 0.02 0.00 0.00 177.57 177.90 1sdl h GLN 127 N 0.83 0.95 -0.75 1.57 4.15 -0.89 -1.06 115.11 119.90 1sdl h GLN 127 Ca 0.10 -0.12 0.05 0.00 0.77 0.00 0.00 58.65 59.46 1sdl h GLN 127 Cb 0.81 -0.18 -0.05 0.00 0.21 0.00 0.00 27.48 28.27 1sdl h GLN 127 CO 0.07 0.72 0.45 0.00 -1.93 0.00 0.00 178.83 178.14 1sdl h ALA 128 N 1.18 1.01 -0.48 3.38 0.00 -1.10 0.45 119.26 123.70 1sdl h ALA 128 Ca 0.24 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1sdl h ALA 128 Cb 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1sdl h ALA 128 CO -0.04 0.18 -0.10 0.00 0.00 0.00 0.00 179.25 179.30 1sdl h ALA 129 N 1.36 0.66 -0.37 0.00 0.00 -0.98 -2.83 119.26 117.10 1sdl h ALA 129 Ca 0.32 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1sdl h ALA 129 Cb 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1sdl h ALA 129 CO -0.16 0.55 0.06 1.88 0.00 0.00 0.00 179.25 181.57 1sdl h TYR 130 N 0.76 0.57 -0.72 0.00 0.05 -0.20 -1.75 116.97 115.68 1sdl h TYR 130 Ca 0.12 -0.04 0.01 0.00 0.05 0.00 0.00 58.73 58.87 1sdl h TYR 130 Cb 0.64 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 38.18 1sdl h TYR 130 CO 0.05 0.52 0.48 1.96 -1.05 0.00 0.00 178.16 180.12 1sdl h GLN 131 N 0.54 0.95 -0.41 4.88 1.08 0.09 0.72 115.11 122.97 1sdl h GLN 131 Ca 0.12 -0.06 -0.07 0.00 -1.45 0.00 0.00 58.65 57.20 1sdl h GLN 131 Cb 0.26 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 1sdl h GLN 131 CO 0.00 0.63 -0.00 0.87 -0.95 0.00 0.00 178.83 179.38 1sdl h LYS 132 N 0.98 0.72 0.43 1.46 1.57 -1.15 -1.93 116.57 118.65 1sdl h LYS 132 Ca 0.27 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1sdl h LYS 132 Cb -0.11 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.14 1sdl h LYS 132 CO -0.06 0.81 -0.21 0.28 -0.57 0.00 0.00 179.45 179.70 1sdl h VAL 133 N 0.55 0.58 -0.58 0.50 2.07 -0.76 -0.81 116.25 117.80 1sdl h VAL 133 Ca 0.12 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.62 1sdl h VAL 133 Cb 0.48 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1sdl h VAL 133 CO 0.02 0.01 0.38 -0.37 0.02 0.00 0.00 177.57 177.64 1sdl h VAL 134 N -0.62 1.03 -0.16 2.57 -1.51 -0.85 -1.09 116.25 115.63 1sdl h VAL 134 Ca -0.06 -0.21 -0.01 0.00 -1.23 0.00 0.00 66.70 65.19 1sdl h VAL 134 Cb 0.46 0.37 -0.01 0.00 -2.13 0.00 0.00 31.29 29.98 1sdl h VAL 134 CO 0.10 0.11 0.06 0.00 -1.23 0.00 0.00 177.57 176.61 1sdl h ALA 135 N 1.68 0.20 -0.47 5.19 0.00 -1.13 -1.28 119.26 123.45 1sdl h ALA 135 Ca 0.24 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1sdl h ALA 135 Cb 0.18 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1sdl h ALA 135 CO -0.07 -0.21 0.30 0.78 0.00 0.00 0.00 179.25 180.06 1sdl h GLY 136 N 0.10 0.66 1.02 0.00 0.00 -0.20 -0.73 103.07 103.92 1sdl h GLY 136 Ca 0.05 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 1sdl h GLY 136 CO -0.00 0.23 0.38 -2.08 0.00 0.00 0.00 176.54 175.06 1sdl h VAL 137 N 0.62 1.24 -0.50 4.60 2.07 -1.17 0.15 116.25 123.26 1sdl h VAL 137 Ca 0.18 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1sdl h VAL 137 Cb -0.05 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 1sdl h VAL 137 CO -0.05 0.29 0.27 0.00 0.02 0.00 0.00 177.57 178.10 1sdl h ALA 138 N 1.19 0.64 -0.53 1.67 0.00 -0.85 0.28 119.26 121.66 1sdl h ALA 138 Ca 0.26 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1sdl h ALA 138 Cb 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1sdl h ALA 138 CO -0.03 0.17 0.07 -0.91 0.00 0.00 0.00 179.25 178.54 1sdl h ASN 139 N 0.67 0.87 -0.57 0.00 2.35 -0.82 -2.24 115.58 115.84 1sdl h ASN 139 Ca 0.18 -0.27 -0.03 0.00 -0.55 0.00 0.00 56.30 55.62 1sdl h ASN 139 Cb 0.06 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 1sdl h ASN 139 CO -0.03 0.92 0.24 0.00 -1.65 0.00 0.00 177.43 176.92 1sdl h ALA 140 N 0.98 1.28 0.00 -0.83 0.00 -0.54 -1.85 119.26 118.30 1sdl h ALA 140 Ca 0.16 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1sdl h ALA 140 Cb 0.44 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1sdl h ALA 140 CO 0.01 0.53 -0.18 -0.07 0.00 0.00 0.00 179.25 179.55 1sdl h LEU 141 N 0.88 0.00 -0.48 0.00 3.38 -0.70 -2.83 115.31 115.56 1sdl h LEU 141 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1sdl h LEU 141 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1sdl h LEU 141 CO -0.02 0.18 -0.07 0.00 0.09 0.00 0.00 178.44 178.62 1sdl n ALA 142 N -2.19 2.73 -0.17 1.53 0.00 -0.72 -4.49 120.51 117.20 1sdl n ALA 142 Ca 0.01 -0.33 -0.04 0.00 0.00 0.00 0.00 53.44 53.08 1sdl n ALA 142 Cb 0.43 -1.28 0.03 0.00 0.00 0.00 0.00 19.45 18.62 1sdl n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1sdl h HIS 143 N 1.16 -0.56 0.00 0.00 6.17 -1.23 -0.34 115.15 120.35 1sdl h HIS 143 Ca 0.00 0.06 0.00 0.00 0.71 0.00 0.00 60.37 61.14 1sdl h HIS 143 Cb 0.36 0.33 0.00 0.00 2.52 0.00 0.00 27.41 30.62 1sdl h HIS 143 CO 0.00 -0.31 0.00 1.63 0.71 0.00 0.00 177.93 179.96 1sdl n LYS 144 N -5.42 0.34 0.00 5.26 4.76 -1.26 -2.35 118.16 119.49 1sdl n LYS 144 Ca 0.05 0.09 0.14 0.00 -2.87 0.00 0.00 58.31 55.71 1sdl n LYS 144 Cb 0.32 -1.50 0.57 0.00 -1.84 0.00 0.00 35.03 32.58 1sdl n LYS 144 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1sdl n TYR 145 N -1.20 0.00 -0.04 2.13 4.02 -0.14 -5.00 117.16 116.94 1sdl n TYR 145 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.99 1sdl n TYR 145 Cb 0.11 -0.44 0.00 0.00 -0.02 0.00 0.00 39.34 38.99 1sdl n TYR 145 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57