#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sdl s LEU 2 N 0.00 4.08 0.80 7.52 2.01 -1.26 -4.98 118.68 126.84 1sdl s LEU 2 Ca 0.00 -1.85 -0.13 0.00 0.01 0.00 0.00 54.13 52.16 1sdl s LEU 2 Cb 0.00 -2.51 0.08 0.00 0.01 0.00 0.00 46.19 43.77 1sdl s LEU 2 CO 0.00 -1.29 1.19 -0.94 1.01 0.00 0.00 176.35 176.32 1sdl s SER 3 N 4.37 3.72 0.58 2.29 1.04 -1.26 -4.68 113.70 119.76 1sdl s SER 3 Ca 0.43 2.30 0.28 0.00 0.48 0.00 0.00 55.95 59.43 1sdl s SER 3 Cb -0.01 -2.58 1.61 0.00 0.10 0.00 0.00 66.02 65.14 1sdl s SER 3 CO -0.07 -2.57 2.09 -0.65 0.98 0.00 0.00 173.24 173.02 1sdl h PRO 4 N -0.89 0.00 -0.44 4.02 0.11 -1.99 -0.72 132.00 132.08 1sdl h PRO 4 Ca -0.46 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 1sdl h PRO 4 Cb 1.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1sdl h PRO 4 CO 0.47 0.00 0.09 0.00 -0.21 0.00 0.00 178.00 178.35 1sdl h ALA 5 N 1.77 0.59 -0.25 -0.75 0.00 -2.00 -0.95 119.26 117.67 1sdl h ALA 5 Ca 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1sdl h ALA 5 Cb 0.52 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1sdl h ALA 5 CO -0.00 0.28 0.16 -0.44 0.00 0.00 0.00 179.25 179.25 1sdl h ASP 6 N 0.59 0.29 -0.72 0.00 3.32 -1.51 -1.02 116.42 117.38 1sdl h ASP 6 Ca 0.14 -0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.21 1sdl h ASP 6 Cb 0.34 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.77 1sdl h ASP 6 CO 0.00 0.23 0.43 0.11 -1.72 0.00 0.00 179.24 178.30 1sdl h LYS 7 N 0.32 0.79 -0.47 3.56 1.57 -1.14 -0.18 116.57 121.03 1sdl h LYS 7 Ca 0.09 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1sdl h LYS 7 Cb -0.01 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 1sdl h LYS 7 CO -0.02 0.53 0.21 1.15 -0.57 0.00 0.00 179.45 180.75 1sdl h THR 8 N 0.82 1.20 -0.55 -0.16 2.02 -0.81 -1.74 112.91 113.69 1sdl h THR 8 Ca 0.30 -0.58 0.01 0.00 0.77 0.00 0.00 66.41 66.91 1sdl h THR 8 Cb 0.11 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 1sdl h THR 8 CO -0.15 0.22 0.36 0.78 0.37 0.00 0.00 175.52 177.11 1sdl h ASN 9 N 0.62 0.62 -0.46 4.18 -0.26 -0.49 -0.53 115.58 119.26 1sdl h ASN 9 Ca 0.16 -0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.88 1sdl h ASN 9 Cb 0.15 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.24 1sdl h ASN 9 CO -0.02 0.45 0.26 0.58 -1.06 0.00 0.00 177.43 177.64 1sdl h VAL 10 N 0.74 1.16 -0.76 2.81 2.07 -0.93 -1.32 116.25 120.01 1sdl h VAL 10 Ca 0.20 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1sdl h VAL 10 Cb -0.08 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 1sdl h VAL 10 CO -0.05 0.16 0.34 0.11 0.02 0.00 0.00 177.57 178.16 1sdl h LYS 11 N 0.60 1.11 -0.19 1.57 1.57 -1.02 -0.44 116.57 119.77 1sdl h LYS 11 Ca 0.16 -0.18 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1sdl h LYS 11 Cb 0.03 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 1sdl h LYS 11 CO -0.03 0.88 -0.21 0.00 -0.57 0.00 0.00 179.45 179.53 1sdl h ALA 12 N 1.17 0.27 -0.41 3.86 0.00 -0.84 -0.35 119.26 122.97 1sdl h ALA 12 Ca 0.26 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1sdl h ALA 12 Cb 0.16 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1sdl h ALA 12 CO -0.03 0.21 0.18 0.00 0.00 0.00 0.00 179.25 179.62 1sdl h ALA 13 N 0.63 0.53 -0.44 0.00 0.00 -1.18 -1.96 119.26 116.85 1sdl h ALA 13 Ca 0.03 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1sdl h ALA 13 Cb 0.76 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1sdl h ALA 13 CO 0.05 0.11 0.08 2.35 0.00 0.00 0.00 179.25 181.85 1sdl h TRP 14 N 0.52 0.68 -0.54 0.00 2.91 -1.09 -1.95 115.95 116.48 1sdl h TRP 14 Ca 0.14 -0.06 -0.08 0.00 1.13 0.00 0.00 58.89 60.02 1sdl h TRP 14 Cb 0.15 -0.20 -0.02 0.00 -0.51 0.00 0.00 29.16 28.58 1sdl h TRP 14 CO -0.01 0.60 0.02 0.78 -1.03 0.00 0.00 178.44 178.80 1sdl h GLY 15 N 0.88 0.97 1.98 2.65 0.00 -0.67 -2.10 103.07 106.78 1sdl h GLY 15 Ca 0.14 -0.66 -0.07 0.00 0.00 0.00 0.00 47.33 46.74 1sdl h GLY 15 CO 0.00 0.61 -0.32 1.70 0.00 0.00 0.00 176.54 178.53 1sdl h LYS 16 N 0.84 0.03 -0.25 4.80 3.11 -0.81 -2.45 116.57 121.84 1sdl h LYS 16 Ca 0.16 -0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.98 1sdl h LYS 16 Cb 0.47 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.69 1sdl h LYS 16 CO 0.02 0.35 0.09 0.28 -2.81 0.00 0.00 179.45 177.38 1sdl h VAL 17 N 0.03 1.18 0.00 2.00 2.07 -0.79 -3.45 116.25 117.29 1sdl h VAL 17 Ca 0.00 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1sdl h VAL 17 Cb 0.59 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1sdl h VAL 17 CO 0.04 0.19 0.00 0.61 0.02 0.00 0.00 177.57 178.43 1sdl n GLY 18 N -0.68 2.31 0.03 2.17 0.00 -0.84 -1.11 105.19 107.06 1sdl n GLY 18 Ca -0.03 0.38 0.10 0.00 0.00 0.00 0.00 46.02 46.47 1sdl n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sdl n ALA 19 N 9.92 1.86 0.80 4.61 0.00 -1.26 -2.83 120.51 133.61 1sdl n ALA 19 Ca 0.00 -0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.48 1sdl n ALA 19 Cb 0.00 -1.33 0.22 0.00 0.00 0.00 0.00 19.45 18.34 1sdl n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1sdl n HIS 20 N -1.68 0.47 -0.21 0.00 8.25 -0.27 -4.42 115.22 117.36 1sdl n HIS 20 Ca 0.04 -0.24 0.02 0.00 -0.26 0.00 0.00 57.72 57.29 1sdl n HIS 20 Cb 0.24 0.00 0.12 0.00 1.12 0.00 0.00 29.99 31.47 1sdl n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sdl h ALA 21 N 3.84 0.74 -0.33 -1.41 0.00 -1.64 0.53 119.26 120.99 1sdl h ALA 21 Ca 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1sdl h ALA 21 Cb 0.55 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1sdl h ALA 21 CO 0.00 -0.34 0.09 0.78 0.00 0.00 0.00 179.25 179.78 1sdl h GLY 22 N 0.22 0.56 0.95 0.00 0.00 -1.84 0.31 103.07 103.27 1sdl h GLY 22 Ca 0.34 -0.34 0.05 0.00 0.00 0.00 0.00 47.33 47.38 1sdl h GLY 22 CO -0.47 0.32 0.57 0.83 0.00 0.00 0.00 176.54 177.80 1sdl h GLU 23 N 0.38 1.01 -0.21 4.80 5.08 -1.70 -0.93 114.58 123.00 1sdl h GLU 23 Ca 0.10 -0.06 -0.18 0.00 -1.00 0.00 0.00 59.36 58.23 1sdl h GLU 23 Cb 0.28 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1sdl h GLU 23 CO -0.00 0.67 -0.58 1.88 -1.00 0.00 0.00 179.01 179.98 1sdl h TYR 24 N 1.04 0.85 -0.68 4.33 0.05 -0.33 -1.65 116.97 120.57 1sdl h TYR 24 Ca 0.36 -0.31 -0.03 0.00 0.05 0.00 0.00 58.73 58.80 1sdl h TYR 24 Cb 0.12 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 37.67 1sdl h TYR 24 CO -0.00 1.09 0.32 0.78 -1.05 0.00 0.00 178.16 179.29 1sdl h GLY 25 N 0.92 1.06 0.98 3.88 0.00 -0.38 -1.32 103.07 108.21 1sdl h GLY 25 Ca 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 46.77 1sdl h GLY 25 CO 0.12 0.51 0.25 0.00 0.00 0.00 0.00 176.54 177.42 1sdl h ALA 26 N 1.15 0.70 -0.64 3.60 0.00 -1.06 -2.00 119.26 121.01 1sdl h ALA 26 Ca 0.23 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1sdl h ALA 26 Cb 0.14 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1sdl h ALA 26 CO -0.03 0.27 0.11 1.49 0.00 0.00 0.00 179.25 181.10 1sdl h GLU 27 N 0.73 1.06 -0.43 0.00 4.81 -1.04 -1.35 114.58 118.35 1sdl h GLU 27 Ca 0.19 -0.28 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 1sdl h GLU 27 Cb 0.13 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1sdl h GLU 27 CO -0.02 0.98 0.06 0.00 -0.73 0.00 0.00 179.01 179.30 1sdl h ALA 28 N 1.04 1.31 -0.32 2.92 0.00 -0.98 0.98 119.26 124.21 1sdl h ALA 28 Ca 0.20 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1sdl h ALA 28 Cb 0.43 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1sdl h ALA 28 CO 0.01 0.48 -0.17 -0.07 0.00 0.00 0.00 179.25 179.51 1sdl h LEU 29 N 0.64 0.69 -0.95 0.00 3.38 -0.96 -1.85 115.31 116.26 1sdl h LEU 29 Ca 0.14 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 1sdl h LEU 29 Cb 0.30 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1sdl h LEU 29 CO 0.00 0.96 0.16 -0.08 0.09 0.00 0.00 178.44 179.57 1sdl h GLU 30 N 0.43 0.93 -0.77 1.13 4.81 -0.87 -0.48 114.58 119.75 1sdl h GLU 30 Ca 0.07 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 1sdl h GLU 30 Cb 0.70 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.91 1sdl h GLU 30 CO 0.05 0.82 0.40 0.00 -0.73 0.00 0.00 179.01 179.55 1sdl h ARG 31 N 0.89 1.09 -0.36 1.92 3.08 -0.67 -2.41 114.38 117.92 1sdl h ARG 31 Ca 0.19 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 1sdl h ARG 31 Cb 0.30 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1sdl h ARG 31 CO -0.00 0.82 0.01 1.98 -1.07 0.00 0.00 179.97 181.71 1sdl h MET 32 N 1.08 0.63 -0.68 0.04 4.05 -0.81 -0.98 114.93 118.27 1sdl h MET 32 Ca 0.27 -0.20 -0.03 0.00 -0.28 0.00 0.00 59.70 59.46 1sdl h MET 32 Cb 0.07 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.77 1sdl h MET 32 CO -0.04 0.74 0.30 0.74 0.23 0.00 0.00 176.91 178.88 1sdl h PHE 33 N 0.45 0.97 0.09 1.39 0.04 -0.92 0.03 116.94 118.99 1sdl h PHE 33 Ca 0.10 -0.05 -0.17 0.00 2.80 0.00 0.00 57.97 60.65 1sdl h PHE 33 Cb 0.45 -0.30 0.02 0.00 2.20 0.00 0.00 35.95 38.31 1sdl h PHE 33 CO 0.04 0.72 -0.74 -0.07 -0.60 0.00 0.00 178.31 177.66 1sdl h LEU 34 N 0.96 0.50 -0.62 1.54 3.38 -1.40 -3.15 115.31 116.52 1sdl h LEU 34 Ca 0.23 -0.87 -0.13 0.00 0.09 0.00 0.00 57.88 57.19 1sdl h LEU 34 Cb 0.13 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1sdl h LEU 34 CO -0.03 1.33 -0.36 0.28 0.09 0.00 0.00 178.44 179.75 1sdl h SER 35 N -0.26 0.73 -2.43 -0.43 0.02 -1.11 -3.37 113.55 106.71 1sdl h SER 35 Ca -0.12 -0.31 -0.59 0.00 -0.84 0.00 0.00 61.79 59.93 1sdl h SER 35 Cb 1.52 -0.20 -0.40 0.00 0.14 0.00 0.00 62.40 63.45 1sdl h SER 35 CO 0.14 1.02 -0.79 0.49 -1.14 0.00 0.00 176.83 176.55 1sdl n PHE 36 N -4.05 1.63 0.32 3.45 3.72 -0.01 -4.97 117.46 117.54 1sdl n PHE 36 Ca -0.01 -3.88 0.17 0.00 -0.05 0.00 0.00 57.45 53.68 1sdl n PHE 36 Cb 0.51 -0.35 0.91 0.00 -0.94 0.00 0.00 39.48 39.61 1sdl n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1sdl h PRO 37 N 4.78 0.00 0.00 -1.08 0.11 -1.72 -1.20 132.00 132.89 1sdl h PRO 37 Ca 0.17 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 1sdl h PRO 37 Cb 0.79 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 1sdl h PRO 37 CO 0.62 0.00 -0.06 0.00 -0.21 0.00 0.00 178.00 178.35 1sdl h THR 38 N 0.00 0.53 0.00 -1.15 1.03 -1.91 -2.43 112.91 108.98 1sdl h THR 38 Ca 0.01 -0.27 0.00 0.00 -0.01 0.00 0.00 66.41 66.14 1sdl h THR 38 Cb 0.53 1.17 0.00 0.00 -1.07 0.00 0.00 68.15 68.78 1sdl h THR 38 CO -0.00 0.06 0.00 0.35 -0.01 0.00 0.00 175.52 175.92 1sdl n THR 39 N -3.73 0.68 0.23 0.00 -2.24 -0.45 -3.53 114.28 105.24 1sdl n THR 39 Ca -0.02 -0.11 0.08 0.00 -2.27 0.00 0.00 64.05 61.73 1sdl n THR 39 Cb 0.16 -0.79 0.54 0.00 -2.10 0.00 0.00 70.33 68.14 1sdl n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1sdl h LYS 40 N 0.00 0.00 -0.20 -0.78 1.57 -1.64 -3.03 116.57 112.50 1sdl h LYS 40 Ca 0.00 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1sdl h LYS 40 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1sdl h LYS 40 CO 0.00 0.23 0.23 1.79 -0.57 0.00 0.00 179.45 181.13 1sdl h THR 41 N 0.00 0.44 0.00 -0.16 1.35 -1.77 -1.16 112.91 111.61 1sdl h THR 41 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1sdl h THR 41 Cb 0.52 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 1sdl h THR 41 CO 0.03 0.00 0.00 -1.22 -0.25 0.00 0.00 175.52 174.08 1sdl n TYR 42 N -3.75 0.15 -3.24 4.73 4.01 -1.14 -3.93 117.16 113.98 1sdl n TYR 42 Ca 0.02 0.05 -0.26 0.00 -0.16 0.00 0.00 57.90 57.55 1sdl n TYR 42 Cb 0.35 -0.58 -0.06 0.00 -0.31 0.00 0.00 39.34 38.74 1sdl n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1sdl n PHE 43 N -1.63 2.64 -0.14 -0.72 3.01 -0.44 -4.94 117.46 115.24 1sdl n PHE 43 Ca 0.06 -3.97 -0.08 0.00 1.01 0.00 0.00 57.45 54.46 1sdl n PHE 43 Cb 0.30 -0.49 0.00 0.00 -0.01 0.00 0.00 39.48 39.28 1sdl n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1sdl h PRO 44 N 3.73 0.59 -0.81 -1.08 0.13 -1.73 -3.10 132.00 129.74 1sdl h PRO 44 Ca 0.15 -0.08 -0.09 0.00 -0.87 0.00 0.00 66.00 65.11 1sdl h PRO 44 Cb 0.69 -0.11 -0.05 0.00 0.13 0.00 0.00 31.00 31.66 1sdl h PRO 44 CO 0.73 0.49 0.11 0.72 -0.23 0.00 0.00 178.00 179.82 1sdl n HIS 45 N -4.70 1.51 -4.11 1.56 8.25 -1.26 -4.92 115.22 111.55 1sdl n HIS 45 Ca 0.01 -0.71 -0.30 0.00 -0.26 0.00 0.00 57.72 56.46 1sdl n HIS 45 Cb 0.09 -0.46 -0.07 0.00 1.12 0.00 0.00 29.99 30.67 1sdl n HIS 45 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1sdl s PHE 46 N -2.12 3.04 -0.36 4.41 0.40 -1.17 -5.06 117.98 117.11 1sdl s PHE 46 Ca 0.35 -0.00 -0.23 0.00 -0.60 0.00 0.00 56.93 56.45 1sdl s PHE 46 Cb 0.28 -1.55 0.01 0.00 0.51 0.00 0.00 43.02 42.26 1sdl s PHE 46 CO 0.09 0.49 0.80 0.34 0.70 0.00 0.00 175.22 177.64 1sdl s ASP 47 N -2.36 6.57 0.00 1.36 2.15 -1.26 -4.87 116.67 118.26 1sdl s ASP 47 Ca 0.27 0.39 0.25 0.00 0.43 0.00 0.00 52.55 53.89 1sdl s ASP 47 Cb -0.12 -2.40 0.57 0.00 -0.30 0.00 0.00 42.92 40.67 1sdl s ASP 47 CO 0.19 -0.74 1.47 0.18 -0.17 0.00 0.00 175.17 176.11 1sdl n LEU 48 N 6.45 2.39 -4.57 -1.34 4.32 -1.26 -4.37 117.00 118.61 1sdl n LEU 48 Ca 0.03 -0.83 -0.34 0.00 -0.02 0.00 0.00 56.01 54.85 1sdl n LEU 48 Cb 0.48 -0.03 0.12 0.00 -1.62 0.00 0.00 43.42 42.37 1sdl n LEU 48 CO 0.54 0.42 0.40 -1.54 -1.22 0.00 0.00 177.39 175.98 1sdl n SER 49 N 0.85 -0.29 -4.71 -1.43 3.41 -1.26 -4.86 113.62 105.33 1sdl n SER 49 Ca 0.16 0.50 -0.42 0.00 -0.26 0.00 0.00 58.87 58.86 1sdl n SER 49 Cb 0.49 -1.37 -0.03 0.00 -0.26 0.00 0.00 64.21 63.04 1sdl n SER 49 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1sdl n HIS 50 N -3.29 2.72 -0.85 7.33 -0.00 -1.26 -1.91 115.22 117.96 1sdl n HIS 50 Ca 0.11 0.03 0.00 0.00 0.46 0.00 0.00 57.72 58.32 1sdl n HIS 50 Cb 0.51 -2.68 0.00 0.00 -0.12 0.00 0.00 29.99 27.71 1sdl n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1sdl n GLY 51 N 3.98 0.90 3.59 1.57 0.00 -1.26 -5.01 105.19 108.95 1sdl n GLY 51 Ca 0.16 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.73 1sdl n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sdl n SER 52 N 0.00 1.36 0.22 1.61 2.88 -0.80 -4.86 113.62 114.03 1sdl n SER 52 Ca 0.00 1.17 0.07 0.00 -1.33 0.00 0.00 58.87 58.78 1sdl n SER 52 Cb 0.00 -1.28 0.52 0.00 -0.75 0.00 0.00 64.21 62.70 1sdl n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sdl h ALA 53 N 2.42 1.40 -0.18 -1.46 0.00 -1.91 -2.34 119.26 117.19 1sdl h ALA 53 Ca -0.40 -0.22 -0.21 0.00 0.00 0.00 0.00 54.91 54.08 1sdl h ALA 53 Cb 1.34 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.10 1sdl h ALA 53 CO 0.64 0.30 -0.72 1.96 0.00 0.00 0.00 179.25 181.42 1sdl h GLN 54 N 0.00 0.81 -0.48 0.00 4.20 -1.89 -0.13 115.11 117.62 1sdl h GLN 54 Ca -0.00 -0.63 -0.03 0.00 0.06 0.00 0.00 58.65 58.06 1sdl h GLN 54 Cb 0.48 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 1sdl h GLN 54 CO 0.03 1.24 0.19 0.28 -0.67 0.00 0.00 178.83 179.90 1sdl h VAL 55 N 0.55 1.21 -0.21 -0.54 2.07 -1.74 0.11 116.25 117.70 1sdl h VAL 55 Ca -0.04 -0.63 0.04 0.00 0.82 0.00 0.00 66.70 66.89 1sdl h VAL 55 Cb 1.35 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 1sdl h VAL 55 CO 0.15 0.24 -0.04 0.11 0.02 0.00 0.00 177.57 178.05 1sdl h LYS 56 N 0.63 0.01 -0.84 1.57 1.57 -1.34 0.25 116.57 118.42 1sdl h LYS 56 Ca 0.16 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1sdl h LYS 56 Cb 0.19 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 1sdl h LYS 56 CO -0.01 0.01 0.38 0.78 -0.57 0.00 0.00 179.45 180.03 1sdl h GLY 57 N 0.01 1.31 1.39 3.86 0.00 -0.66 -1.70 103.07 107.29 1sdl h GLY 57 Ca 0.10 -0.67 -0.13 0.00 0.00 0.00 0.00 47.33 46.63 1sdl h GLY 57 CO -0.21 0.64 -0.31 0.84 0.00 0.00 0.00 176.54 177.50 1sdl h HIS 58 N 1.20 0.80 -0.89 5.60 -0.00 -0.25 -2.69 115.15 118.93 1sdl h HIS 58 Ca 0.28 -0.21 0.05 0.00 -0.00 0.00 0.00 60.37 60.50 1sdl h HIS 58 Cb 0.16 -0.18 -0.05 0.00 -0.00 0.00 0.00 27.41 27.33 1sdl h HIS 58 CO 0.02 0.92 0.58 0.78 -0.00 0.00 0.00 177.93 180.22 1sdl h GLY 59 N 0.98 1.28 1.01 5.26 0.00 -0.02 -0.72 103.07 110.86 1sdl h GLY 59 Ca 0.07 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 1sdl h GLY 59 CO 0.07 0.33 0.16 1.70 0.00 0.00 0.00 176.54 178.79 1sdl h LYS 60 N 1.04 0.94 -0.47 4.80 3.64 -1.03 -1.01 116.57 124.49 1sdl h LYS 60 Ca 0.37 -0.22 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1sdl h LYS 60 Cb 0.13 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1sdl h LYS 60 CO -0.13 0.86 0.17 0.87 -2.27 0.00 0.00 179.45 178.96 1sdl h LYS 61 N 0.86 0.72 0.08 1.90 1.57 -0.89 -0.65 116.57 120.15 1sdl h LYS 61 Ca 0.19 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1sdl h LYS 61 Cb 0.33 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1sdl h LYS 61 CO -0.00 0.66 -0.07 0.28 -0.57 0.00 0.00 179.45 179.75 1sdl h VAL 62 N 0.63 0.84 -0.59 0.50 2.07 -1.01 -1.80 116.25 116.88 1sdl h VAL 62 Ca 0.16 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.78 1sdl h VAL 62 Cb 0.23 0.84 -0.08 0.00 -1.52 0.00 0.00 31.29 30.76 1sdl h VAL 62 CO -0.01 0.00 0.14 0.00 0.02 0.00 0.00 177.57 177.72 1sdl h ALA 63 N 0.76 0.71 -0.47 1.67 0.00 -0.96 -1.20 119.26 119.78 1sdl h ALA 63 Ca 0.00 0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1sdl h ALA 63 Cb 0.15 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1sdl h ALA 63 CO -0.02 -0.29 0.19 -0.44 0.00 0.00 0.00 179.25 178.69 1sdl h ASP 64 N 0.28 0.22 -0.44 0.00 5.19 -0.83 0.15 116.42 120.99 1sdl h ASP 64 Ca 0.31 0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.73 1sdl h ASP 64 Cb 0.45 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.95 1sdl h ASP 64 CO -0.38 0.16 0.16 0.00 -3.12 0.00 0.00 179.24 176.06 1sdl h ALA 65 N 1.29 1.36 -0.33 3.45 0.00 -0.39 -0.43 119.26 124.22 1sdl h ALA 65 Ca 0.22 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1sdl h ALA 65 Cb 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1sdl h ALA 65 CO -0.20 0.47 -0.35 -0.07 0.00 0.00 0.00 179.25 179.10 1sdl h LEU 66 N 0.71 0.78 -0.79 0.00 3.38 -0.43 0.32 115.31 119.28 1sdl h LEU 66 Ca 0.17 -0.34 0.05 0.00 0.09 0.00 0.00 57.88 57.85 1sdl h LEU 66 Cb 0.20 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 1sdl h LEU 66 CO -0.01 1.06 0.49 0.74 0.09 0.00 0.00 178.44 180.81 1sdl h THR 67 N 0.62 1.06 -0.45 0.22 2.02 0.07 0.86 112.91 117.33 1sdl h THR 67 Ca 0.06 -0.31 -0.10 0.00 0.77 0.00 0.00 66.41 66.83 1sdl h THR 67 Cb 0.89 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 1sdl h THR 67 CO 0.08 0.17 -0.12 -1.13 0.37 0.00 0.00 175.52 174.89 1sdl h ASN 68 N 0.92 0.81 -0.38 4.18 -0.00 -0.80 -1.82 115.58 118.48 1sdl h ASN 68 Ca 0.33 -0.25 -0.11 0.00 -0.00 0.00 0.00 56.30 56.27 1sdl h ASN 68 Cb 0.10 -0.22 -0.02 0.00 -0.00 0.00 0.00 38.32 38.18 1sdl h ASN 68 CO -0.14 0.94 -0.18 0.00 -0.00 0.00 0.00 177.43 178.05 1sdl h ALA 69 N 1.13 0.85 -0.65 1.57 0.00 0.53 -1.28 119.26 121.41 1sdl h ALA 69 Ca 0.12 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1sdl h ALA 69 Cb 0.61 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1sdl h ALA 69 CO 0.04 0.64 0.23 0.28 0.00 0.00 0.00 179.25 180.44 1sdl h VAL 70 N 0.75 1.25 0.00 0.00 2.07 -0.67 -0.79 116.25 118.86 1sdl h VAL 70 Ca 0.11 -0.81 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 1sdl h VAL 70 Cb 0.70 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1sdl h VAL 70 CO 0.05 0.32 -0.23 0.00 0.02 0.00 0.00 177.57 177.73 1sdl h ALA 71 N 1.09 1.43 -0.91 1.67 0.00 -1.07 -3.05 119.26 118.42 1sdl h ALA 71 Ca 0.21 -0.21 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1sdl h ALA 71 Cb 0.26 -0.04 -0.42 0.00 0.00 0.00 0.00 17.79 17.59 1sdl h ALA 71 CO -0.01 0.29 -0.75 0.72 0.00 0.00 0.00 179.25 179.50 1sdl n HIS 72 N -3.99 2.90 -0.29 0.00 -0.00 -0.51 -4.84 115.22 108.50 1sdl n HIS 72 Ca -0.02 -2.42 0.11 0.00 -0.00 0.00 0.00 57.72 55.39 1sdl n HIS 72 Cb 0.31 -0.32 0.25 0.00 -0.00 0.00 0.00 29.99 30.23 1sdl n HIS 72 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1sdl h VAL 73 N 2.23 0.33 0.00 1.59 2.07 -1.04 -1.00 116.25 120.44 1sdl h VAL 73 Ca 0.36 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.82 1sdl h VAL 73 Cb 1.39 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1sdl h VAL 73 CO 0.80 0.04 -0.07 0.47 0.02 0.00 0.00 177.57 178.83 1sdl n ASP 74 N -5.24 0.82 -2.56 0.57 8.00 -1.26 -4.01 116.55 112.86 1sdl n ASP 74 Ca 0.19 0.53 -0.12 0.00 0.71 0.00 0.00 54.79 56.10 1sdl n ASP 74 Cb 0.62 -0.70 0.03 0.00 -0.02 0.00 0.00 41.12 41.05 1sdl n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1sdl n ASP 75 N -2.26 2.77 -0.29 -2.24 2.03 -0.49 -4.93 116.55 111.15 1sdl n ASP 75 Ca 0.05 -2.88 -0.06 0.00 0.52 0.00 0.00 54.79 52.43 1sdl n ASP 75 Cb 0.43 -0.46 0.06 0.00 -0.72 0.00 0.00 41.12 40.43 1sdl n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1sdl h MET 76 N 2.64 1.16 -0.11 -0.67 2.86 -1.40 -1.95 114.93 117.46 1sdl h MET 76 Ca 0.05 -0.19 0.03 0.00 -2.06 0.00 0.00 59.70 57.53 1sdl h MET 76 Cb 1.23 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.69 1sdl h MET 76 CO 0.51 0.92 0.13 -1.35 1.06 0.00 0.00 176.91 178.19 1sdl h PRO 77 N 1.13 0.00 0.01 -0.22 0.11 -1.91 -0.23 132.00 130.89 1sdl h PRO 77 Ca 0.27 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 66.19 1sdl h PRO 77 Cb 0.17 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 1sdl h PRO 77 CO -0.03 0.00 -1.03 -0.97 -0.21 0.00 0.00 178.00 175.76 1sdl h ASN 78 N 0.00 0.03 0.12 -2.05 -1.24 -1.88 -3.13 115.58 107.43 1sdl h ASN 78 Ca 0.05 -0.64 0.00 0.00 0.71 0.00 0.00 56.30 56.42 1sdl h ASN 78 Cb 0.32 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.35 1sdl h ASN 78 CO -0.00 1.41 0.00 0.00 -1.29 0.00 0.00 177.43 177.55 1sdl h ALA 79 N -0.35 1.00 -0.01 1.57 0.00 -0.91 -2.86 119.26 117.70 1sdl h ALA 79 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1sdl h ALA 79 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1sdl h ALA 79 CO -0.14 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.39 1sdl n LEU 80 N -2.67 1.85 -0.21 0.00 4.77 -0.14 -4.83 117.00 115.77 1sdl n LEU 80 Ca -0.02 -1.82 0.02 0.00 -0.03 0.00 0.00 56.01 54.17 1sdl n LEU 80 Cb 0.08 -0.01 0.13 0.00 -2.33 0.00 0.00 43.42 41.29 1sdl n LEU 80 CO 0.16 0.46 0.92 0.77 -1.33 0.00 0.00 177.39 178.37 1sdl h SER 81 N 0.07 -0.01 -0.71 -1.43 4.64 -1.44 0.73 113.55 115.40 1sdl h SER 81 Ca 0.00 0.12 0.01 0.00 -0.47 0.00 0.00 61.79 61.45 1sdl h SER 81 Cb 0.42 0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 62.64 1sdl h SER 81 CO 0.00 -0.01 0.47 0.00 -0.87 0.00 0.00 176.83 176.42 1sdl h ALA 82 N 1.52 1.50 -0.33 5.18 0.00 -1.88 -1.32 119.26 123.93 1sdl h ALA 82 Ca 0.34 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 1sdl h ALA 82 Cb 0.53 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1sdl h ALA 82 CO -0.44 0.46 -0.16 -0.07 0.00 0.00 0.00 179.25 179.04 1sdl h LEU 83 N 0.96 0.60 -0.64 0.00 4.07 -1.26 -1.04 115.31 118.00 1sdl h LEU 83 Ca 0.26 -0.18 -0.10 0.00 0.08 0.00 0.00 57.88 57.94 1sdl h LEU 83 Cb -0.10 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.46 1sdl h LEU 83 CO -0.06 0.78 -0.07 0.28 -1.08 0.00 0.00 178.44 178.28 1sdl h SER 84 N 0.55 0.98 -0.08 -0.43 0.02 -0.50 -1.08 113.55 113.01 1sdl h SER 84 Ca 0.09 -0.30 -0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1sdl h SER 84 Cb 0.59 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 1sdl h SER 84 CO 0.04 1.08 0.05 -0.78 -1.14 0.00 0.00 176.83 176.08 1sdl h ASP 85 N 0.89 0.10 -0.08 3.07 3.58 -0.72 -0.71 116.42 122.55 1sdl h ASP 85 Ca 0.15 -0.04 0.01 0.00 0.42 0.00 0.00 57.03 57.57 1sdl h ASP 85 Cb 0.62 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 1sdl h ASP 85 CO 0.04 0.11 -0.01 0.25 -2.88 0.00 0.00 179.24 176.75 1sdl h LEU 86 N 0.07 -0.06 -0.11 2.28 5.85 -0.97 -0.76 115.31 121.61 1sdl h LEU 86 Ca 0.03 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.62 1sdl h LEU 86 Cb 0.03 0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.11 1sdl h LEU 86 CO -0.01 -0.02 -0.51 0.45 -0.34 0.00 0.00 178.44 178.01 1sdl h HIS 87 N 0.01 0.73 0.11 1.25 3.86 -1.11 -0.07 115.15 119.92 1sdl h HIS 87 Ca 0.04 -0.32 -0.26 0.00 -1.16 0.00 0.00 60.37 58.67 1sdl h HIS 87 Cb 0.05 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.40 1sdl h HIS 87 CO -0.13 1.10 -1.32 0.00 0.86 0.00 0.00 177.93 178.44 1sdl h ALA 88 N 0.49 0.16 0.00 2.45 0.00 -1.18 -0.28 119.26 120.90 1sdl h ALA 88 Ca -0.03 -1.05 -0.09 0.00 0.00 0.00 0.00 54.91 53.74 1sdl h ALA 88 Cb 1.15 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1sdl h ALA 88 CO 0.11 0.76 -0.56 0.45 0.00 0.00 0.00 179.25 180.01 1sdl h HIS 89 N -0.37 0.00 0.18 0.00 3.86 -1.26 -3.29 115.15 114.26 1sdl h HIS 89 Ca -0.29 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.92 1sdl h HIS 89 Cb 1.70 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.17 1sdl h HIS 89 CO 0.13 0.85 -0.08 -0.22 0.86 0.00 0.00 177.93 179.46 1sdl h LYS 90 N -1.00 -0.23 0.00 2.45 3.11 -1.38 -3.38 116.57 116.15 1sdl h LYS 90 Ca -0.13 0.02 -0.12 0.00 -2.81 0.00 0.00 60.65 57.61 1sdl h LYS 90 Cb 0.87 0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 32.13 1sdl h LYS 90 CO -0.08 0.10 -0.74 -0.07 -2.81 0.00 0.00 179.45 175.86 1sdl h LEU 91 N -0.97 0.00 -1.26 5.20 3.38 -1.10 -3.48 115.31 117.07 1sdl h LEU 91 Ca -0.02 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.58 1sdl h LEU 91 Cb 0.44 0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.34 1sdl h LEU 91 CO 0.04 0.52 -0.73 0.54 0.09 0.00 0.00 178.44 178.90 1sdl n ARG 92 N -3.14 -7.23 -1.97 1.13 3.00 -0.33 -4.92 116.66 103.20 1sdl n ARG 92 Ca -0.01 0.83 -0.42 0.00 -0.01 0.00 0.00 57.85 58.24 1sdl n ARG 92 Cb 0.76 -5.86 -0.03 0.00 0.00 0.00 0.00 32.46 27.33 1sdl n ARG 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1sdl s VAL 93 N -3.35 2.75 0.20 1.55 1.01 -0.26 -4.93 120.40 117.36 1sdl s VAL 93 Ca 0.29 0.52 -0.32 0.00 0.00 0.00 0.00 61.98 62.47 1sdl s VAL 93 Cb -0.13 -3.33 -0.12 0.00 0.00 0.00 0.00 36.38 32.80 1sdl s VAL 93 CO 0.73 0.04 1.75 -0.67 0.00 0.00 0.00 175.10 176.95 1sdl n ASP 94 N 4.08 4.02 -0.02 3.32 -0.08 -1.26 -4.85 116.55 121.77 1sdl n ASP 94 Ca 0.14 1.05 0.21 0.00 -1.51 0.00 0.00 54.79 54.68 1sdl n ASP 94 Cb 0.39 -1.57 0.70 0.00 2.34 0.00 0.00 41.12 42.98 1sdl n ASP 94 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1sdl h PRO 95 N 7.09 0.00 0.00 -0.67 0.13 -1.99 0.08 132.00 136.64 1sdl h PRO 95 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.69 1sdl h PRO 95 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1sdl h PRO 95 CO 0.96 0.00 -0.04 -0.24 -0.23 0.00 0.00 178.00 178.45 1sdl h VAL 96 N 0.00 0.65 0.00 1.56 3.04 -2.02 -2.04 116.25 117.44 1sdl h VAL 96 Ca 0.27 -0.17 -0.04 0.00 -1.01 0.00 0.00 66.70 65.75 1sdl h VAL 96 Cb 1.09 1.10 -0.01 0.00 -2.01 0.00 0.00 31.29 31.47 1sdl h VAL 96 CO -0.00 0.04 -0.21 0.78 -1.01 0.00 0.00 177.57 177.17 1sdl h ASN 97 N 0.00 0.00 0.35 3.17 -0.26 -1.34 -1.90 115.58 115.60 1sdl h ASN 97 Ca -0.00 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.65 1sdl h ASN 97 Cb 0.10 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.35 1sdl h ASN 97 CO 0.01 0.21 -0.41 -0.26 -1.06 0.00 0.00 177.43 175.91 1sdl h PHE 98 N 0.00 0.10 -0.36 1.19 0.04 -1.52 -1.48 116.94 114.90 1sdl h PHE 98 Ca -0.00 -0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.63 1sdl h PHE 98 Cb 0.53 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.65 1sdl h PHE 98 CO 0.00 0.48 -0.23 0.87 -0.60 0.00 0.00 178.31 178.84 1sdl h LYS 99 N 0.07 0.80 -0.19 1.51 1.57 -1.45 -0.62 116.57 118.27 1sdl h LYS 99 Ca 0.00 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1sdl h LYS 99 Cb 0.76 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1sdl h LYS 99 CO 0.06 1.00 0.12 -0.07 -0.57 0.00 0.00 179.45 179.99 1sdl h LEU 100 N 0.59 0.21 -0.81 2.94 3.38 -1.19 0.15 115.31 120.57 1sdl h LEU 100 Ca 0.07 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1sdl h LEU 100 Cb 0.79 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1sdl h LEU 100 CO 0.06 0.15 -0.02 0.25 0.09 0.00 0.00 178.44 178.98 1sdl h LEU 101 N 0.25 0.85 -0.31 1.67 5.85 -1.24 -1.41 115.31 120.96 1sdl h LEU 101 Ca 0.07 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.57 1sdl h LEU 101 Cb -0.03 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1sdl h LEU 101 CO -0.02 0.92 0.20 0.28 -0.34 0.00 0.00 178.44 179.48 1sdl h SER 102 N 0.81 0.34 -0.08 1.25 0.02 -0.75 0.52 113.55 115.65 1sdl h SER 102 Ca 0.15 -0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.13 1sdl h SER 102 Cb 0.51 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 1sdl h SER 102 CO 0.03 0.24 -0.12 -0.74 -1.14 0.00 0.00 176.83 175.10 1sdl h HIS 103 N 0.41 -0.30 -0.80 3.45 -0.00 -0.70 -0.74 115.15 116.47 1sdl h HIS 103 Ca 0.12 0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.56 1sdl h HIS 103 Cb -0.03 0.14 -0.05 0.00 -0.00 0.00 0.00 27.41 27.47 1sdl h HIS 103 CO -0.06 -0.18 0.52 0.00 -0.00 0.00 0.00 177.93 178.21 1sdl h LEU 105 N 0.91 0.89 -0.70 0.00 5.85 -0.51 -1.24 115.31 120.51 1sdl h LEU 105 Ca 0.33 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1sdl h LEU 105 Cb 0.16 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1sdl h LEU 105 CO -0.11 1.00 0.39 -0.07 -0.34 0.00 0.00 178.44 179.31 1sdl h LEU 106 N 0.75 0.87 -0.74 2.25 3.38 -0.29 -0.18 115.31 121.35 1sdl h LEU 106 Ca 0.13 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1sdl h LEU 106 Cb 0.58 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1sdl h LEU 106 CO 0.03 0.71 0.35 0.58 0.09 0.00 0.00 178.44 180.21 1sdl h VAL 107 N 0.96 1.24 -0.19 1.22 2.07 -0.79 -0.29 116.25 120.47 1sdl h VAL 107 Ca 0.25 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1sdl h VAL 107 Cb 0.03 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1sdl h VAL 107 CO -0.04 0.28 0.06 0.74 0.02 0.00 0.00 177.57 178.64 1sdl h THR 108 N 1.04 1.18 -0.89 2.57 2.02 -0.70 -1.60 112.91 116.52 1sdl h THR 108 Ca 0.25 -0.55 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 1sdl h THR 108 Cb 0.12 1.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 1sdl h THR 108 CO -0.03 0.17 0.55 -0.07 0.37 0.00 0.00 175.52 176.51 1sdl h LEU 109 N 0.14 1.06 -1.01 2.58 4.07 -0.82 -2.07 115.31 119.26 1sdl h LEU 109 Ca 0.06 -0.06 -0.05 0.00 0.08 0.00 0.00 57.88 57.91 1sdl h LEU 109 Cb 0.21 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.66 1sdl h LEU 109 CO -0.00 0.81 0.13 0.00 -1.08 0.00 0.00 178.44 178.29 1sdl h ALA 110 N 1.30 1.20 0.00 1.53 0.00 -0.80 0.19 119.26 122.68 1sdl h ALA 110 Ca 0.32 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1sdl h ALA 110 Cb -0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1sdl h ALA 110 CO -0.06 0.55 -0.52 0.00 0.00 0.00 0.00 179.25 179.22 1sdl h ALA 111 N 1.33 0.98 0.00 0.00 0.00 -0.90 -3.32 119.26 117.35 1sdl h ALA 111 Ca 0.18 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 1sdl h ALA 111 Cb 0.30 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1sdl h ALA 111 CO -0.00 0.65 -2.09 0.72 0.00 0.00 0.00 179.25 178.53 1sdl n HIS 112 N -3.68 0.00 -3.25 0.00 -0.00 -0.82 -4.69 115.22 102.78 1sdl n HIS 112 Ca -0.01 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.46 1sdl n HIS 112 Cb 0.57 -0.65 -0.07 0.00 -0.00 0.00 0.00 29.99 29.85 1sdl n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1sdl n LEU 113 N -2.40 2.43 -0.18 2.41 4.77 0.65 -4.95 117.00 119.72 1sdl n LEU 113 Ca -0.14 -5.20 -0.07 0.00 -0.03 0.00 0.00 56.01 50.58 1sdl n LEU 113 Cb 0.75 -0.09 0.02 0.00 -2.33 0.00 0.00 43.42 41.77 1sdl n LEU 113 CO 0.43 2.13 1.08 1.55 -1.33 0.00 0.00 177.39 181.25 1sdl h PRO 114 N 3.82 0.72 -0.20 3.23 0.13 -1.78 -1.24 132.00 136.68 1sdl h PRO 114 Ca 0.14 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 65.16 1sdl h PRO 114 Cb 0.74 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 1sdl h PRO 114 CO 0.68 0.50 -0.13 0.00 -0.23 0.00 0.00 178.00 178.82 1sdl h ALA 115 N 1.18 1.41 0.00 -0.56 0.00 -1.93 -3.03 119.26 116.33 1sdl h ALA 115 Ca 0.20 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1sdl h ALA 115 Cb -0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1sdl h ALA 115 CO -0.04 0.41 -1.05 0.93 0.00 0.00 0.00 179.25 179.49 1sdl h GLU 116 N 0.30 0.00 -3.56 0.00 3.07 -1.92 -3.40 114.58 109.07 1sdl h GLU 116 Ca 0.06 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 58.24 1sdl h GLU 116 Cb 0.42 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 1sdl h GLU 116 CO 0.02 0.39 3.42 0.34 -1.40 0.00 0.00 179.01 181.79 1sdl n PHE 117 N -3.03 2.95 -1.74 4.33 7.35 -0.49 -4.77 117.46 122.06 1sdl n PHE 117 Ca -0.05 -2.97 -0.29 0.00 -0.76 0.00 0.00 57.45 53.37 1sdl n PHE 117 Cb 0.80 -2.49 0.09 0.00 0.35 0.00 0.00 39.48 38.24 1sdl n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1sdl s THR 118 N 2.80 2.45 0.21 -2.13 -4.23 -1.26 -4.77 115.64 108.72 1sdl s THR 118 Ca 0.57 0.15 -0.09 0.00 -1.18 0.00 0.00 61.69 61.14 1sdl s THR 118 Cb 0.16 -3.04 0.15 0.00 1.34 0.00 0.00 72.50 71.11 1sdl s THR 118 CO -0.07 -0.19 1.79 -0.65 -0.54 0.00 0.00 174.62 174.96 1sdl h PRO 119 N -1.11 0.60 -0.48 3.99 0.11 -1.99 0.24 132.00 133.36 1sdl h PRO 119 Ca -0.47 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.49 1sdl h PRO 119 Cb 1.31 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1sdl h PRO 119 CO 0.63 0.40 -0.12 0.00 -0.21 0.00 0.00 178.00 178.70 1sdl h ALA 120 N 1.37 0.67 -0.61 -0.75 0.00 -1.96 -0.47 119.26 117.51 1sdl h ALA 120 Ca 0.31 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1sdl h ALA 120 Cb 0.26 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1sdl h ALA 120 CO -0.22 0.58 0.04 0.28 0.00 0.00 0.00 179.25 179.93 1sdl h VAL 121 N 0.79 1.26 -0.44 0.00 2.07 -1.71 -1.90 116.25 116.33 1sdl h VAL 121 Ca 0.12 -1.10 0.04 0.00 0.82 0.00 0.00 66.70 66.58 1sdl h VAL 121 Cb 0.68 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1sdl h VAL 121 CO 0.05 0.40 0.19 -0.74 0.02 0.00 0.00 177.57 177.50 1sdl h HIS 122 N 0.95 0.35 -0.85 1.57 6.17 -0.25 0.15 115.15 123.24 1sdl h HIS 122 Ca 0.18 0.02 0.01 0.00 0.71 0.00 0.00 60.37 61.28 1sdl h HIS 122 Cb 0.51 -0.09 -0.04 0.00 2.52 0.00 0.00 27.41 30.31 1sdl h HIS 122 CO 0.04 0.16 0.55 0.00 0.71 0.00 0.00 177.93 179.39 1sdl h ALA 123 N 1.26 1.08 -0.29 5.26 0.00 -0.83 -0.99 119.26 124.75 1sdl h ALA 123 Ca 0.20 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1sdl h ALA 123 Cb 0.14 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1sdl h ALA 123 CO -0.17 0.50 0.03 0.77 0.00 0.00 0.00 179.25 180.38 1sdl h SER 124 N 1.16 0.47 -0.72 0.00 0.02 -0.57 -2.25 113.55 111.65 1sdl h SER 124 Ca 0.31 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1sdl h SER 124 Cb -0.12 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.26 1sdl h SER 124 CO -0.07 0.63 0.38 -0.07 -1.14 0.00 0.00 176.83 176.57 1sdl h LEU 125 N 0.29 0.91 -0.77 5.07 3.38 -0.48 -0.65 115.31 123.05 1sdl h LEU 125 Ca 0.08 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1sdl h LEU 125 Cb 0.37 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1sdl h LEU 125 CO 0.01 0.75 0.50 -0.78 0.09 0.00 0.00 178.44 179.01 1sdl h ASP 126 N 0.99 0.89 -0.46 -0.43 3.58 -1.05 -0.58 116.42 119.36 1sdl h ASP 126 Ca 0.25 -0.03 -0.08 0.00 0.42 0.00 0.00 57.03 57.59 1sdl h ASP 126 Cb 0.05 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.86 1sdl h ASP 126 CO -0.04 0.65 -0.02 0.11 -2.88 0.00 0.00 179.24 177.07 1sdl h LYS 127 N 1.05 0.83 0.29 0.28 1.57 -1.06 -1.44 116.57 118.09 1sdl h LYS 127 Ca 0.28 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1sdl h LYS 127 Cb -0.11 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 1sdl h LYS 127 CO -0.06 0.89 -0.20 0.35 -0.57 0.00 0.00 179.45 179.85 1sdl h PHE 128 N 0.67 -0.53 -0.35 -1.35 3.57 -0.92 -1.02 116.94 117.01 1sdl h PHE 128 Ca 0.13 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1sdl h PHE 128 Cb 0.53 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 1sdl h PHE 128 CO 0.04 -0.31 0.15 -0.07 -2.23 0.00 0.00 178.31 175.89 1sdl h LEU 129 N -0.49 0.43 -0.72 0.59 3.38 -1.06 -0.19 115.31 117.26 1sdl h LEU 129 Ca -0.02 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1sdl h LEU 129 Cb 0.42 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1sdl h LEU 129 CO 0.01 0.39 -0.07 0.00 0.09 0.00 0.00 178.44 178.85 1sdl h ALA 130 N 1.68 0.92 -0.06 1.53 0.00 -1.07 -0.83 119.26 121.43 1sdl h ALA 130 Ca 0.12 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1sdl h ALA 130 Cb 0.08 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1sdl h ALA 130 CO -0.01 0.63 0.00 0.77 0.00 0.00 0.00 179.25 180.64 1sdl h SER 131 N 0.83 0.10 -0.63 0.00 0.02 -0.08 0.46 113.55 114.25 1sdl h SER 131 Ca 0.14 -0.30 0.07 0.00 -0.84 0.00 0.00 61.79 60.87 1sdl h SER 131 Cb 0.59 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 63.04 1sdl h SER 131 CO 0.04 0.37 0.31 0.58 -1.14 0.00 0.00 176.83 176.99 1sdl h VAL 132 N -0.18 0.88 -0.88 2.27 2.07 -0.92 -1.59 116.25 117.90 1sdl h VAL 132 Ca 0.02 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1sdl h VAL 132 Cb 0.32 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 1sdl h VAL 132 CO 0.00 0.10 0.55 0.28 0.02 0.00 0.00 177.57 178.53 1sdl h SER 133 N 0.56 1.04 -0.76 0.57 0.02 -0.91 -1.15 113.55 112.91 1sdl h SER 133 Ca 0.30 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 1sdl h SER 133 Cb 0.28 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 1sdl h SER 133 CO -0.23 0.78 0.41 0.74 -1.14 0.00 0.00 176.83 177.38 1sdl h THR 134 N 1.20 1.23 -0.44 -2.27 2.02 -0.17 -1.82 112.91 112.67 1sdl h THR 134 Ca 0.32 -0.59 -0.08 0.00 0.77 0.00 0.00 66.41 66.82 1sdl h THR 134 Cb -0.09 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.54 1sdl h THR 134 CO -0.06 0.26 -0.04 0.58 0.37 0.00 0.00 175.52 176.63 1sdl h VAL 135 N 1.05 1.27 0.00 3.16 2.07 -0.69 -2.12 116.25 120.99 1sdl h VAL 135 Ca 0.27 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1sdl h VAL 135 Cb 0.05 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1sdl h VAL 135 CO -0.04 0.38 0.00 0.18 0.02 0.00 0.00 177.57 178.11 1sdl n LEU 136 N -4.35 0.50 -0.41 2.57 4.77 -0.49 -2.57 117.00 117.01 1sdl n LEU 136 Ca -0.00 0.61 0.05 0.00 -0.03 0.00 0.00 56.01 56.63 1sdl n LEU 136 Cb 0.33 -0.53 0.12 0.00 -2.33 0.00 0.00 43.42 41.01 1sdl n LEU 136 CO 0.42 -0.42 0.59 0.35 -1.33 0.00 0.00 177.39 177.01 1sdl n THR 137 N -2.04 1.28 0.26 -5.08 -2.24 -0.71 -4.15 114.28 101.61 1sdl n THR 137 Ca 0.03 -1.26 0.11 0.00 -2.27 0.00 0.00 64.05 60.66 1sdl n THR 137 Cb 0.24 0.31 0.70 0.00 -2.10 0.00 0.00 70.33 69.48 1sdl n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1sdl h SER 138 N 1.13 0.00 0.70 3.42 4.64 -1.11 -2.56 113.55 119.78 1sdl h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sdl h SER 138 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1sdl h SER 138 CO 0.03 0.12 0.00 0.29 -0.87 0.00 0.00 176.83 176.40 1sdl n LYS 139 N -3.81 0.16 0.03 4.77 4.76 -1.26 -2.67 118.16 120.13 1sdl n LYS 139 Ca -0.02 0.38 0.12 0.00 -2.87 0.00 0.00 58.31 55.92 1sdl n LYS 139 Cb 0.22 -1.80 0.12 0.00 -1.84 0.00 0.00 35.03 31.73 1sdl n LYS 139 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1sdl n TYR 140 N -2.09 0.32 0.00 2.13 4.01 -0.96 -5.04 117.16 115.53 1sdl n TYR 140 Ca 0.02 0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 1sdl n TYR 140 Cb 0.22 -0.48 0.00 0.00 -0.31 0.00 0.00 39.34 38.77 1sdl n TYR 140 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94