#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sdk s HIS 2 N 0.00 3.54 -0.09 3.52 3.76 -1.26 -4.75 115.29 120.01 1sdk s HIS 2 Ca 0.00 -2.98 0.02 0.00 -0.15 0.00 0.00 55.06 51.95 1sdk s HIS 2 Cb 0.00 -2.94 -0.02 0.00 1.11 0.00 0.00 32.58 30.73 1sdk s HIS 2 CO 0.00 -0.88 -0.15 -0.51 -0.85 0.00 0.00 174.74 172.35 1sdk s LEU 3 N 0.48 2.64 0.89 0.89 1.43 -1.26 -5.11 118.68 118.65 1sdk s LEU 3 Ca 0.13 -0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 52.81 1sdk s LEU 3 Cb -0.22 -1.56 0.13 0.00 0.03 0.00 0.00 46.19 44.57 1sdk s LEU 3 CO -0.05 0.24 1.14 0.42 0.23 0.00 0.00 176.35 178.34 1sdk s THR 4 N -0.12 2.04 0.42 5.49 -4.23 -1.26 -4.77 115.64 113.21 1sdk s THR 4 Ca -0.02 0.01 0.20 0.00 -1.18 0.00 0.00 61.69 60.70 1sdk s THR 4 Cb -0.14 -2.79 0.22 0.00 1.34 0.00 0.00 72.50 71.13 1sdk s THR 4 CO 0.04 -0.02 2.00 -0.65 -0.54 0.00 0.00 174.62 175.45 1sdk h PRO 5 N -1.43 0.00 -0.48 3.99 0.11 -2.00 -1.06 132.00 131.14 1sdk h PRO 5 Ca -0.50 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.48 1sdk h PRO 5 Cb 1.33 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 1sdk h PRO 5 CO 0.62 0.18 -0.22 1.49 -0.21 0.00 0.00 178.00 179.87 1sdk h GLU 6 N 0.00 0.98 -0.24 1.05 4.81 -1.99 -0.32 114.58 118.87 1sdk h GLU 6 Ca -0.00 -0.42 -0.09 0.00 -0.13 0.00 0.00 59.36 58.72 1sdk h GLU 6 Cb 0.37 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 1sdk h GLU 6 CO 0.02 1.09 -0.21 0.93 -0.73 0.00 0.00 179.01 180.11 1sdk h GLU 7 N 0.85 0.57 -0.41 1.92 5.08 -1.74 -0.95 114.58 119.89 1sdk h GLU 7 Ca 0.11 -0.29 0.08 0.00 -1.00 0.00 0.00 59.36 58.25 1sdk h GLU 7 Cb 0.79 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.98 1sdk h GLU 7 CO 0.07 0.88 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.72 1sdk h LYS 8 N 0.28 0.09 -0.53 2.33 1.63 -1.12 -0.16 116.57 119.09 1sdk h LYS 8 Ca 0.04 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.81 1sdk h LYS 8 Cb 0.76 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.35 1sdk h LYS 8 CO 0.05 0.06 0.21 0.77 -3.45 0.00 0.00 179.45 177.10 1sdk h SER 9 N 0.09 0.73 -0.62 4.20 0.02 -0.91 -1.45 113.55 115.61 1sdk h SER 9 Ca 0.20 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 1sdk h SER 9 Cb 0.30 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1sdk h SER 9 CO -0.35 0.70 0.10 0.00 -1.14 0.00 0.00 176.83 176.13 1sdk h ALA 10 N 1.06 0.83 -0.24 3.77 0.00 -0.77 -1.00 119.26 122.91 1sdk h ALA 10 Ca 0.18 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 1sdk h ALA 10 Cb 0.19 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1sdk h ALA 10 CO -0.02 0.59 -0.56 0.28 0.00 0.00 0.00 179.25 179.54 1sdk h VAL 11 N 0.94 1.29 -0.49 0.00 2.07 -0.92 -2.93 116.25 116.21 1sdk h VAL 11 Ca 0.19 -1.76 -0.11 0.00 0.82 0.00 0.00 66.70 65.84 1sdk h VAL 11 Cb 0.43 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 1sdk h VAL 11 CO 0.01 0.56 -0.13 0.74 0.02 0.00 0.00 177.57 178.77 1sdk h THR 12 N 0.55 1.27 -0.67 2.57 2.02 -1.19 -1.35 112.91 116.10 1sdk h THR 12 Ca -0.00 -1.26 -0.08 0.00 0.77 0.00 0.00 66.41 65.83 1sdk h THR 12 Cb 1.17 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 68.59 1sdk h THR 12 CO 0.12 0.44 0.10 0.00 0.37 0.00 0.00 175.52 176.55 1sdk h ALA 13 N 1.02 0.91 -0.07 6.16 0.00 -1.16 -2.11 119.26 124.00 1sdk h ALA 13 Ca 0.13 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1sdk h ALA 13 Cb 0.67 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1sdk h ALA 13 CO 0.05 0.67 -0.36 1.25 0.00 0.00 0.00 179.25 180.86 1sdk h LEU 14 N 1.04 0.44 -1.87 0.00 5.85 -1.44 -3.01 115.31 116.32 1sdk h LEU 14 Ca 0.20 -0.65 0.10 0.00 0.84 0.00 0.00 57.88 58.37 1sdk h LEU 14 Cb 0.45 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1sdk h LEU 14 CO 0.01 1.02 0.30 -0.25 -0.34 0.00 0.00 178.44 179.18 1sdk h TRP 15 N -0.11 0.15 0.00 1.25 2.91 -1.11 0.16 115.95 119.21 1sdk h TRP 15 Ca -0.02 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.00 1sdk h TRP 15 Cb 1.01 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 29.61 1sdk h TRP 15 CO 0.13 0.07 0.00 0.41 -1.03 0.00 0.00 178.44 178.02 1sdk n GLY 16 N -1.58 -1.12 0.31 2.65 0.00 -0.81 -2.12 105.19 102.53 1sdk n GLY 16 Ca 0.07 0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.23 1sdk n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sdk n LYS 17 N -1.90 0.79 -2.03 1.61 5.02 0.54 -4.97 118.16 117.22 1sdk n LYS 17 Ca 0.03 -0.63 -0.42 0.00 -2.02 0.00 0.00 58.31 55.27 1sdk n LYS 17 Cb 0.19 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.69 1sdk n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1sdk s VAL 18 N -2.64 2.78 -0.59 -0.18 1.01 -0.90 -4.96 120.40 114.92 1sdk s VAL 18 Ca 0.16 0.61 -0.23 0.00 0.00 0.00 0.00 61.98 62.52 1sdk s VAL 18 Cb 0.18 -3.39 0.06 0.00 0.00 0.00 0.00 36.38 33.22 1sdk s VAL 18 CO 0.65 0.07 0.90 0.21 0.00 0.00 0.00 175.10 176.93 1sdk s ASN 19 N 0.71 6.25 0.38 3.32 3.84 -1.26 -4.92 114.94 123.26 1sdk s ASN 19 Ca 0.63 -0.70 0.14 0.00 0.21 0.00 0.00 52.86 53.14 1sdk s ASN 19 Cb -0.41 -2.41 0.78 0.00 -0.55 0.00 0.00 41.25 38.66 1sdk s ASN 19 CO 0.37 -1.26 1.85 -0.37 -2.79 0.00 0.00 177.10 174.90 1sdk h VAL 20 N 5.98 1.20 -0.69 -5.21 -1.51 -1.98 0.99 116.25 115.04 1sdk h VAL 20 Ca -0.27 -1.20 -0.01 0.00 -1.23 0.00 0.00 66.70 63.98 1sdk h VAL 20 Cb 1.08 1.66 -0.03 0.00 -2.13 0.00 0.00 31.29 31.86 1sdk h VAL 20 CO 1.11 0.34 0.39 0.44 -1.23 0.00 0.00 177.57 178.62 1sdk h ASP 21 N 0.00 0.85 0.03 4.19 5.19 -1.98 -1.09 116.42 123.61 1sdk h ASP 21 Ca -0.00 -0.08 -0.09 0.00 -0.62 0.00 0.00 57.03 56.23 1sdk h ASP 21 Cb 0.63 -0.21 0.01 0.00 0.18 0.00 0.00 39.33 39.93 1sdk h ASP 21 CO 0.04 0.68 -0.37 -0.33 -3.12 0.00 0.00 179.24 176.15 1sdk h GLU 22 N 0.94 0.20 -0.27 3.56 5.08 -1.91 -3.33 114.58 118.86 1sdk h GLU 22 Ca 0.24 -0.25 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1sdk h GLU 22 Cb 0.01 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1sdk h GLU 22 CO -0.04 1.02 -0.43 0.28 -1.00 0.00 0.00 179.01 178.84 1sdk h VAL 23 N -0.50 1.30 -0.11 3.13 2.07 -0.73 -3.08 116.25 118.33 1sdk h VAL 23 Ca -0.05 -1.62 -0.01 0.00 0.82 0.00 0.00 66.70 65.84 1sdk h VAL 23 Cb 1.17 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 32.49 1sdk h VAL 23 CO 0.07 0.52 0.02 1.23 0.02 0.00 0.00 177.57 179.43 1sdk h GLY 24 N 0.98 0.20 1.22 2.17 0.00 -1.33 -0.26 103.07 106.04 1sdk h GLY 24 Ca 0.04 -0.13 -0.13 0.00 0.00 0.00 0.00 47.33 47.11 1sdk h GLY 24 CO 0.09 0.12 -0.23 -1.33 0.00 0.00 0.00 176.54 175.19 1sdk h GLY 25 N -0.04 0.97 0.98 4.60 0.00 -1.67 -1.99 103.07 105.93 1sdk h GLY 25 Ca 0.03 -0.85 -0.00 0.00 0.00 0.00 0.00 47.33 46.51 1sdk h GLY 25 CO 0.00 0.78 0.24 0.83 0.00 0.00 0.00 176.54 178.39 1sdk h GLU 26 N 0.77 0.57 0.10 4.80 4.39 -1.41 0.16 114.58 123.97 1sdk h GLU 26 Ca 0.10 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 1sdk h GLU 26 Cb 0.78 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1sdk h GLU 26 CO 0.06 0.44 -0.05 0.00 -1.16 0.00 0.00 179.01 178.30 1sdk h ALA 27 N 1.10 -0.14 -0.31 3.43 0.00 -0.85 -0.50 119.26 121.99 1sdk h ALA 27 Ca 0.15 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1sdk h ALA 27 Cb 0.02 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1sdk h ALA 27 CO -0.03 -0.54 -0.28 1.25 0.00 0.00 0.00 179.25 179.66 1sdk h LEU 28 N -0.21 0.78 -0.40 0.00 5.85 -1.32 -1.81 115.31 118.21 1sdk h LEU 28 Ca -0.01 -0.46 0.04 0.00 0.84 0.00 0.00 57.88 58.28 1sdk h LEU 28 Cb 0.17 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 1sdk h LEU 28 CO 0.02 1.08 0.18 1.23 -0.34 0.00 0.00 178.44 180.61 1sdk h GLY 29 N 0.49 0.54 1.22 3.75 0.00 -0.63 -1.97 103.07 106.47 1sdk h GLY 29 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1sdk h GLY 29 CO 0.07 0.08 0.49 3.21 0.00 0.00 0.00 176.54 180.39 1sdk h ARG 30 N 0.37 1.04 -0.40 4.80 3.08 -1.01 -1.00 114.38 121.27 1sdk h ARG 30 Ca 0.17 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1sdk h ARG 30 Cb 0.10 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 1sdk h ARG 30 CO -0.14 0.71 0.21 1.25 -1.07 0.00 0.00 179.97 180.93 1sdk h LEU 31 N 1.06 0.50 -1.44 3.04 5.85 -0.76 0.84 115.31 124.41 1sdk h LEU 31 Ca 0.28 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 1sdk h LEU 31 Cb -0.08 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 1sdk h LEU 31 CO -0.06 0.46 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.35 1sdk h LEU 32 N 0.51 0.25 0.14 2.25 3.38 -0.50 -1.69 115.31 119.65 1sdk h LEU 32 Ca 0.14 -0.04 -0.19 0.00 0.09 0.00 0.00 57.88 57.88 1sdk h LEU 32 Cb 0.07 -0.07 0.02 0.00 0.09 0.00 0.00 40.66 40.78 1sdk h LEU 32 CO -0.02 0.37 -0.83 0.58 0.09 0.00 0.00 178.44 178.62 1sdk h VAL 33 N 0.26 1.49 -0.03 1.22 2.07 -1.05 -3.33 116.25 116.88 1sdk h VAL 33 Ca 0.06 -2.53 -0.20 0.00 0.82 0.00 0.00 66.70 64.85 1sdk h VAL 33 Cb 0.31 3.18 -0.00 0.00 -1.52 0.00 0.00 31.29 33.25 1sdk h VAL 33 CO 0.01 0.71 -0.84 0.58 0.02 0.00 0.00 177.57 178.06 1sdk h VAL 34 N -0.39 1.41 -2.73 2.57 2.07 -0.80 -3.38 116.25 115.01 1sdk h VAL 34 Ca -0.15 -2.34 -0.61 0.00 0.82 0.00 0.00 66.70 64.43 1sdk h VAL 34 Cb 1.63 2.29 -0.41 0.00 -1.52 0.00 0.00 31.29 33.28 1sdk h VAL 34 CO 0.14 0.70 -0.72 -1.22 0.02 0.00 0.00 177.57 176.48 1sdk n TYR 35 N -3.77 1.85 0.29 1.57 4.01 -0.64 -4.99 117.16 115.48 1sdk n TYR 35 Ca -0.05 -3.96 0.14 0.00 -0.16 0.00 0.00 57.90 53.87 1sdk n TYR 35 Cb 0.77 -0.34 0.87 0.00 -0.31 0.00 0.00 39.34 40.34 1sdk n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1sdk h PRO 36 N 5.27 0.00 0.00 -0.72 0.13 -1.75 -1.36 132.00 133.57 1sdk h PRO 36 Ca 0.19 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1sdk h PRO 36 Cb 0.80 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 1sdk h PRO 36 CO 0.61 0.01 -0.01 0.11 -0.23 0.00 0.00 178.00 178.49 1sdk h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.93 -1.78 115.95 113.89 1sdk h TRP 37 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 58.89 58.96 1sdk h TRP 37 Cb 0.01 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.25 1sdk h TRP 37 CO 0.00 0.01 -0.11 1.79 0.09 0.00 0.00 178.44 180.22 1sdk h THR 38 N 0.00 0.39 -0.02 0.12 1.35 -1.57 -2.73 112.91 110.46 1sdk h THR 38 Ca -0.00 -0.60 0.01 0.00 -0.55 0.00 0.00 66.41 65.26 1sdk h THR 38 Cb 0.05 1.43 -0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1sdk h THR 38 CO 0.00 0.11 0.03 1.56 -0.25 0.00 0.00 175.52 176.96 1sdk h GLN 39 N 0.00 0.00 -0.62 4.72 4.20 -1.52 -2.38 115.11 119.51 1sdk h GLN 39 Ca -0.00 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.79 1sdk h GLN 39 Cb 0.42 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.17 1sdk h GLN 39 CO 0.01 0.00 0.41 -0.09 -0.67 0.00 0.00 178.83 178.50 1sdk h ARG 40 N 0.00 0.51 -0.00 1.46 2.43 -1.68 -0.44 114.38 116.65 1sdk h ARG 40 Ca 0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1sdk h ARG 40 Cb 0.06 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1sdk h ARG 40 CO -0.00 0.34 -0.07 1.19 -1.51 0.00 0.00 179.97 179.92 1sdk n PHE 41 N -4.48 0.00 -1.28 2.20 3.72 -0.90 -3.53 117.46 113.20 1sdk n PHE 41 Ca 0.09 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.58 1sdk n PHE 41 Cb 0.30 -0.36 0.17 0.00 -0.94 0.00 0.00 39.48 38.64 1sdk n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1sdk n PHE 42 N -1.36 0.00 -0.35 1.38 3.72 -0.19 -4.74 117.46 115.92 1sdk n PHE 42 Ca 0.10 -1.18 0.27 0.00 -0.05 0.00 0.00 57.45 56.59 1sdk n PHE 42 Cb 0.30 -0.19 0.58 0.00 -0.94 0.00 0.00 39.48 39.23 1sdk n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1sdk h GLU 43 N 0.38 0.26 0.00 -1.08 5.08 -1.56 -0.17 114.58 117.50 1sdk h GLU 43 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1sdk h GLU 43 Cb 1.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1sdk h GLU 43 CO 0.00 0.17 0.00 0.66 -1.00 0.00 0.00 179.01 178.84 1sdk h SER 44 N 0.27 0.00 0.89 1.42 4.64 -1.91 -2.72 113.55 116.16 1sdk h SER 44 Ca 0.63 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.95 1sdk h SER 44 Cb 1.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.92 1sdk h SER 44 CO -0.27 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.18 1sdk n PHE 45 N -2.31 0.61 0.00 4.77 3.01 -0.08 -5.00 117.46 118.46 1sdk n PHE 45 Ca 0.02 0.22 0.00 0.00 1.01 0.00 0.00 57.45 58.70 1sdk n PHE 45 Cb 0.23 -0.85 0.00 0.00 -0.01 0.00 0.00 39.48 38.85 1sdk n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sdk n GLY 46 N 0.46 0.29 3.61 1.37 0.00 -1.03 -4.84 105.19 105.06 1sdk n GLY 46 Ca 0.04 -1.87 -0.43 0.00 0.00 0.00 0.00 46.02 43.76 1sdk n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sdk s ASP 47 N -4.00 6.36 -0.13 1.61 -1.08 -1.26 -4.88 116.67 113.29 1sdk s ASP 47 Ca 0.00 1.15 0.16 0.00 -0.52 0.00 0.00 52.55 53.34 1sdk s ASP 47 Cb 0.00 -2.54 0.40 0.00 -1.46 0.00 0.00 42.92 39.32 1sdk s ASP 47 CO 0.00 -1.35 1.19 0.18 0.52 0.00 0.00 175.17 175.71 1sdk n LEU 48 N 8.67 2.05 -0.06 -1.34 4.77 -1.26 -4.28 117.00 125.55 1sdk n LEU 48 Ca 0.17 -3.15 -0.13 0.00 -0.03 0.00 0.00 56.01 52.88 1sdk n LEU 48 Cb 0.47 -0.34 -0.07 0.00 -2.33 0.00 0.00 43.42 41.15 1sdk n LEU 48 CO 0.67 1.03 0.61 -1.28 -1.33 0.00 0.00 177.39 177.09 1sdk h SER 49 N 0.88 0.41 -2.51 -1.43 0.87 -1.93 -3.44 113.55 106.41 1sdk h SER 49 Ca -0.07 -0.47 -0.55 0.00 -1.23 0.00 0.00 61.79 59.48 1sdk h SER 49 Cb 1.29 -0.12 -0.13 0.00 -0.44 0.00 0.00 62.40 63.00 1sdk h SER 49 CO 0.03 0.80 -0.59 0.42 -0.53 0.00 0.00 176.83 176.95 1sdk s THR 50 N -4.35 1.44 0.19 2.23 -4.23 -1.26 -5.00 115.64 104.66 1sdk s THR 50 Ca -0.14 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.25 1sdk s THR 50 Cb 0.06 -2.81 0.10 0.00 1.34 0.00 0.00 72.50 71.19 1sdk s THR 50 CO 0.76 0.00 1.81 -0.65 -0.54 0.00 0.00 174.62 176.00 1sdk h PRO 51 N 1.93 0.63 -0.45 3.99 0.11 -1.97 -1.59 132.00 134.65 1sdk h PRO 51 Ca -0.42 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 1sdk h PRO 51 Cb 1.25 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1sdk h PRO 51 CO 0.73 0.41 0.10 -0.44 -0.21 0.00 0.00 178.00 178.60 1sdk h ASP 52 N 0.64 0.63 -0.28 -2.05 3.32 -1.97 0.16 116.42 116.86 1sdk h ASP 52 Ca 0.25 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 1sdk h ASP 52 Cb 0.10 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1sdk h ASP 52 CO -0.14 0.63 0.03 0.00 -1.72 0.00 0.00 179.24 178.04 1sdk h ALA 53 N 1.46 0.38 0.40 3.45 0.00 -1.66 -2.07 119.26 121.22 1sdk h ALA 53 Ca 0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1sdk h ALA 53 Cb 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1sdk h ALA 53 CO -0.00 0.08 -0.19 0.28 0.00 0.00 0.00 179.25 179.42 1sdk h VAL 54 N 0.28 0.61 0.00 0.00 2.07 -0.71 -1.09 116.25 117.41 1sdk h VAL 54 Ca 0.08 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1sdk h VAL 54 Cb 0.36 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1sdk h VAL 54 CO 0.01 0.03 0.00 0.24 0.02 0.00 0.00 177.57 177.87 1sdk h MET 55 N -0.64 0.00 -0.10 1.57 2.07 -0.71 -1.56 114.93 115.56 1sdk h MET 55 Ca -0.05 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.58 1sdk h MET 55 Cb 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.20 1sdk h MET 55 CO 0.09 0.00 0.00 0.41 1.07 0.00 0.00 176.91 178.48 1sdk n GLY 56 N -0.69 0.75 3.67 8.32 0.00 -0.78 -4.92 105.19 111.53 1sdk n GLY 56 Ca -0.01 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 1sdk n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sdk s ASN 57 N -1.50 6.82 0.47 1.61 3.84 -0.47 -4.91 114.94 120.80 1sdk s ASN 57 Ca 0.24 1.99 0.14 0.00 0.21 0.00 0.00 52.86 55.45 1sdk s ASN 57 Cb 0.16 -2.54 1.07 0.00 -0.55 0.00 0.00 41.25 39.39 1sdk s ASN 57 CO 0.24 -0.81 2.05 1.55 -2.79 0.00 0.00 177.10 177.33 1sdk h PRO 58 N 8.64 0.05 -0.45 0.43 0.13 -1.91 -1.82 132.00 137.06 1sdk h PRO 58 Ca -0.34 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 64.67 1sdk h PRO 58 Cb 1.15 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 1sdk h PRO 58 CO 0.95 0.15 -0.18 0.87 -0.23 0.00 0.00 178.00 179.56 1sdk h LYS 59 N 0.05 0.88 -0.22 0.86 1.79 -1.90 -0.72 116.57 117.31 1sdk h LYS 59 Ca 0.01 -0.34 -0.05 0.00 -2.18 0.00 0.00 60.65 58.10 1sdk h LYS 59 Cb 0.19 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.78 1sdk h LYS 59 CO 0.01 0.98 -0.04 0.28 -1.08 0.00 0.00 179.45 179.60 1sdk h VAL 60 N 0.77 1.28 -0.53 0.50 2.07 -1.67 0.16 116.25 118.82 1sdk h VAL 60 Ca 0.11 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.64 1sdk h VAL 60 Cb 0.71 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 1sdk h VAL 60 CO 0.05 0.31 0.35 0.11 0.02 0.00 0.00 177.57 178.41 1sdk h LYS 61 N 0.15 0.68 -0.14 1.57 1.57 -1.34 -1.17 116.57 117.89 1sdk h LYS 61 Ca 0.06 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1sdk h LYS 61 Cb 0.48 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1sdk h LYS 61 CO 0.02 0.45 0.02 0.00 -0.57 0.00 0.00 179.45 179.37 1sdk h ALA 62 N 1.21 0.19 -0.90 3.86 0.00 -0.92 -2.79 119.26 119.90 1sdk h ALA 62 Ca 0.20 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1sdk h ALA 62 Cb -0.06 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1sdk h ALA 62 CO -0.06 -0.14 0.59 1.25 0.00 0.00 0.00 179.25 180.89 1sdk h HIS 63 N 0.00 1.13 -0.75 0.00 -0.00 -0.87 -2.38 115.15 112.29 1sdk h HIS 63 Ca 0.04 0.03 0.04 0.00 -0.00 0.00 0.00 60.37 60.48 1sdk h HIS 63 Cb 0.32 -0.38 -0.04 0.00 -0.00 0.00 0.00 27.41 27.30 1sdk h HIS 63 CO 0.02 0.72 0.49 0.78 -0.00 0.00 0.00 177.93 179.94 1sdk h GLY 64 N 1.22 1.03 1.03 5.26 0.00 -1.04 -0.30 103.07 110.27 1sdk h GLY 64 Ca 0.33 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 1sdk h GLY 64 CO -0.07 0.30 0.45 0.50 0.00 0.00 0.00 176.54 177.71 1sdk h LYS 65 N 0.89 1.19 -0.58 4.80 1.57 -1.17 -1.14 116.57 122.13 1sdk h LYS 65 Ca 0.30 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.85 1sdk h LYS 65 Cb 0.09 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1sdk h LYS 65 CO -0.09 0.89 0.03 0.87 -0.57 0.00 0.00 179.45 180.58 1sdk h LYS 66 N 1.19 1.00 -0.78 3.15 1.57 -0.86 -1.88 116.57 119.95 1sdk h LYS 66 Ca 0.30 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1sdk h LYS 66 Cb 0.06 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 1sdk h LYS 66 CO -0.04 0.98 0.48 0.28 -0.57 0.00 0.00 179.45 180.57 1sdk h VAL 67 N 0.89 1.22 -0.00 0.50 2.07 -0.59 -2.03 116.25 118.30 1sdk h VAL 67 Ca 0.17 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 1sdk h VAL 67 Cb 0.50 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1sdk h VAL 67 CO 0.02 0.22 -0.22 -0.07 0.02 0.00 0.00 177.57 177.54 1sdk h LEU 68 N 1.07 0.00 -1.60 2.57 4.07 -0.99 -1.20 115.31 119.23 1sdk h LEU 68 Ca 0.28 -0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.20 1sdk h LEU 68 Cb -0.05 -0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.68 1sdk h LEU 68 CO -0.05 0.23 -0.14 1.23 -1.08 0.00 0.00 178.44 178.62 1sdk h GLY 69 N 0.67 0.08 1.25 0.83 0.00 -0.63 -2.14 103.07 103.13 1sdk h GLY 69 Ca -0.00 -0.05 -0.26 0.00 0.00 0.00 0.00 47.33 47.02 1sdk h GLY 69 CO 0.03 0.04 -1.02 0.00 0.00 0.00 0.00 176.54 175.59 1sdk h ALA 70 N 1.78 0.16 -0.43 3.60 0.00 -0.83 -2.74 119.26 120.82 1sdk h ALA 70 Ca 0.02 -0.69 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 1sdk h ALA 70 Cb 0.30 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1sdk h ALA 70 CO 0.02 0.70 0.26 0.74 0.00 0.00 0.00 179.25 180.97 1sdk h PHE 71 N 0.39 0.55 -0.41 0.00 -1.00 -1.03 -1.99 116.94 113.44 1sdk h PHE 71 Ca -0.12 0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.67 1sdk h PHE 71 Cb 1.67 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 41.03 1sdk h PHE 71 CO 0.10 0.36 0.26 0.77 -1.61 0.00 0.00 178.31 178.19 1sdk h SER 72 N 0.58 0.49 -0.36 2.17 0.02 -1.22 0.24 113.55 115.47 1sdk h SER 72 Ca 0.16 -0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 1sdk h SER 72 Cb -0.03 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1sdk h SER 72 CO -0.03 0.38 -0.00 0.44 -1.14 0.00 0.00 176.83 176.48 1sdk h ASP 73 N 0.55 0.70 -0.54 3.07 3.32 -1.17 -1.40 116.42 120.94 1sdk h ASP 73 Ca 0.15 -0.16 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 1sdk h ASP 73 Cb -0.02 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1sdk h ASP 73 CO -0.03 0.77 0.12 1.23 -1.72 0.00 0.00 179.24 179.62 1sdk h GLY 74 N 0.95 0.95 1.63 2.75 0.00 -1.03 -1.84 103.07 106.48 1sdk h GLY 74 Ca 0.14 -0.60 0.05 0.00 0.00 0.00 0.00 47.33 46.91 1sdk h GLY 74 CO 0.02 0.56 0.14 1.41 0.00 0.00 0.00 176.54 178.67 1sdk h LEU 75 N 0.77 0.00 -0.28 3.11 3.38 -0.25 0.13 115.31 122.18 1sdk h LEU 75 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1sdk h LEU 75 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1sdk h LEU 75 CO 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 178.44 178.42 1sdk n ALA 76 N -2.49 2.78 -2.69 1.53 0.00 -0.59 -4.03 120.51 115.03 1sdk n ALA 76 Ca 0.01 -0.28 -0.13 0.00 0.00 0.00 0.00 53.44 53.04 1sdk n ALA 76 Cb 0.27 -1.31 0.02 0.00 0.00 0.00 0.00 19.45 18.42 1sdk n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1sdk n HIS 77 N -0.89 1.45 0.02 0.00 8.25 0.42 -4.95 115.22 119.53 1sdk n HIS 77 Ca 0.15 -2.95 0.20 0.00 -0.26 0.00 0.00 57.72 54.85 1sdk n HIS 77 Cb 0.28 -0.34 0.71 0.00 1.12 0.00 0.00 29.99 31.76 1sdk n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1sdk h LEU 78 N 2.94 0.00 -0.47 2.41 3.38 -1.59 -0.98 115.31 120.99 1sdk h LEU 78 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1sdk h LEU 78 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1sdk h LEU 78 CO 0.56 0.00 -0.22 -0.90 0.09 0.00 0.00 178.44 177.97 1sdk n ASP 79 N -4.25 0.95 -3.04 -0.43 5.75 -1.26 -4.37 116.55 109.90 1sdk n ASP 79 Ca 0.09 -0.87 -0.17 0.00 -0.01 0.00 0.00 54.79 53.84 1sdk n ASP 79 Cb 0.60 0.09 -0.02 0.00 -1.03 0.00 0.00 41.12 40.76 1sdk n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1sdk n ASN 80 N -0.66 1.24 -0.07 -1.12 4.05 -0.38 -4.91 115.26 113.41 1sdk n ASN 80 Ca 0.13 -2.99 -0.12 0.00 0.45 0.00 0.00 54.58 52.04 1sdk n ASN 80 Cb 0.34 -0.59 -0.06 0.00 1.23 0.00 0.00 39.78 40.70 1sdk n ASN 80 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1sdk h LEU 81 N 2.99 0.48 -1.25 1.20 3.38 -1.75 -1.40 115.31 118.97 1sdk h LEU 81 Ca 0.06 -0.43 0.16 0.00 0.09 0.00 0.00 57.88 57.76 1sdk h LEU 81 Cb 0.99 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.53 1sdk h LEU 81 CO 0.52 0.80 0.59 0.50 0.09 0.00 0.00 178.44 180.95 1sdk h LYS 82 N 0.15 0.66 0.12 1.13 1.63 -1.91 0.47 116.57 118.82 1sdk h LYS 82 Ca 0.04 -0.04 -0.19 0.00 -0.85 0.00 0.00 60.65 59.61 1sdk h LYS 82 Cb 0.64 -0.15 0.02 0.00 -0.60 0.00 0.00 32.23 32.14 1sdk h LYS 82 CO 0.04 0.44 -0.83 0.78 -3.45 0.00 0.00 179.45 176.43 1sdk h GLY 83 N 0.68 0.40 0.36 5.01 0.00 -1.88 -2.37 103.07 105.27 1sdk h GLY 83 Ca 0.48 -0.94 0.16 0.00 0.00 0.00 0.00 47.33 47.03 1sdk h GLY 83 CO -0.24 0.82 0.61 -0.84 0.00 0.00 0.00 176.54 176.89 1sdk h THR 84 N -0.25 0.80 -0.25 4.70 2.02 -0.68 -2.65 112.91 116.60 1sdk h THR 84 Ca -0.14 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1sdk h THR 84 Cb 1.62 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1sdk h THR 84 CO 0.16 0.14 0.00 0.49 0.37 0.00 0.00 175.52 176.68 1sdk n PHE 85 N -4.63 0.31 -0.22 3.16 3.72 0.16 -4.69 117.46 115.26 1sdk n PHE 85 Ca 0.20 -0.15 0.10 0.00 -0.05 0.00 0.00 57.45 57.54 1sdk n PHE 85 Cb 0.49 0.00 0.38 0.00 -0.94 0.00 0.00 39.48 39.42 1sdk n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1sdk h ALA 86 N 4.52 1.81 -0.27 4.37 0.00 -1.04 -2.30 119.26 126.35 1sdk h ALA 86 Ca 0.00 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1sdk h ALA 86 Cb 0.92 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1sdk h ALA 86 CO 0.00 0.02 -0.54 1.15 0.00 0.00 0.00 179.25 179.87 1sdk h THR 87 N 0.69 1.28 -0.54 0.00 2.02 -1.83 -1.51 112.91 113.01 1sdk h THR 87 Ca 0.38 -1.73 -0.05 0.00 0.77 0.00 0.00 66.41 65.78 1sdk h THR 87 Cb 0.52 1.68 -0.03 0.00 -1.74 0.00 0.00 68.15 68.59 1sdk h THR 87 CO -0.15 0.56 0.14 0.25 0.37 0.00 0.00 175.52 176.70 1sdk h LEU 88 N 0.62 0.77 -0.29 2.58 5.85 -1.83 0.21 115.31 123.21 1sdk h LEU 88 Ca 0.01 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 1sdk h LEU 88 Cb 1.16 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 1sdk h LEU 88 CO 0.12 0.75 0.06 -1.28 -0.34 0.00 0.00 178.44 177.74 1sdk h SER 89 N 0.80 0.46 -0.41 1.25 0.87 -1.33 0.42 113.55 115.60 1sdk h SER 89 Ca 0.18 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 1sdk h SER 89 Cb 0.28 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 1sdk h SER 89 CO -0.00 0.59 0.22 -0.08 -0.53 0.00 0.00 176.83 177.03 1sdk h GLU 90 N 0.31 0.58 0.04 2.24 4.81 -0.42 -1.31 114.58 120.83 1sdk h GLU 90 Ca 0.09 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1sdk h GLU 90 Cb 0.32 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 1sdk h GLU 90 CO 0.00 0.47 -0.15 1.25 -0.73 0.00 0.00 179.01 179.86 1sdk h LEU 91 N 0.54 -0.42 -1.37 1.64 6.46 0.09 0.10 115.31 122.34 1sdk h LEU 91 Ca 0.15 0.06 -0.05 0.00 -0.12 0.00 0.00 57.88 57.91 1sdk h LEU 91 Cb 0.06 0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.15 1sdk h LEU 91 CO -0.02 -0.21 -0.13 0.45 -0.62 0.00 0.00 178.44 177.90 1sdk h HIS 92 N -0.27 0.26 0.00 1.25 3.86 -0.05 -0.90 115.15 119.31 1sdk h HIS 92 Ca 0.04 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1sdk h HIS 92 Cb 0.31 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.71 1sdk h HIS 92 CO -0.19 0.39 -0.17 0.00 0.86 0.00 0.00 177.93 178.82 1sdk h ASP 94 N -0.45 0.54 0.11 0.00 3.32 -1.10 -1.67 116.42 117.16 1sdk h ASP 94 Ca 0.00 -0.35 -0.27 0.00 0.02 0.00 0.00 57.03 56.43 1sdk h ASP 94 Cb 0.17 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 1sdk h ASP 94 CO 0.00 0.76 -1.39 0.50 -1.72 0.00 0.00 179.24 177.39 1sdk h LYS 95 N 0.31 0.23 0.00 3.56 3.64 -1.20 -3.40 116.57 119.72 1sdk h LYS 95 Ca 0.08 -0.40 -0.07 0.00 -1.27 0.00 0.00 60.65 58.99 1sdk h LYS 95 Cb 0.52 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1sdk h LYS 95 CO 0.02 1.19 -1.44 1.28 -2.27 0.00 0.00 179.45 178.23 1sdk n LEU 96 N -3.94 0.60 -2.35 5.20 4.77 -0.47 -4.98 117.00 115.84 1sdk n LEU 96 Ca -0.25 0.25 -0.19 0.00 -0.03 0.00 0.00 56.01 55.79 1sdk n LEU 96 Cb 0.89 0.03 0.01 0.00 -2.33 0.00 0.00 43.42 42.02 1sdk n LEU 96 CO 0.40 -0.00 -0.10 1.41 -1.33 0.00 0.00 177.39 177.76 1sdk n HIS 97 N -2.65 -1.31 -2.42 -1.77 8.25 0.33 -4.97 115.22 110.69 1sdk n HIS 97 Ca -0.06 0.24 -0.42 0.00 -0.26 0.00 0.00 57.72 57.23 1sdk n HIS 97 Cb 0.68 -3.80 -0.03 0.00 1.12 0.00 0.00 29.99 27.95 1sdk n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1sdk s VAL 98 N -3.00 3.90 0.35 1.59 1.01 -0.46 -5.00 120.40 118.78 1sdk s VAL 98 Ca 0.14 1.44 -0.27 0.00 0.00 0.00 0.00 61.98 63.29 1sdk s VAL 98 Cb -0.06 -3.92 -0.09 0.00 0.00 0.00 0.00 36.38 32.30 1sdk s VAL 98 CO 0.18 0.16 1.18 -0.62 0.00 0.00 0.00 175.10 175.99 1sdk s ASP 99 N 0.69 6.78 0.63 3.32 -1.08 -1.26 -4.77 116.67 120.97 1sdk s ASP 99 Ca 0.56 2.39 0.41 0.00 -0.52 0.00 0.00 52.55 55.39 1sdk s ASP 99 Cb -0.30 -2.62 2.08 0.00 -1.46 0.00 0.00 42.92 40.61 1sdk s ASP 99 CO 0.32 -0.50 2.25 -0.65 0.52 0.00 0.00 175.17 177.10 1sdk h PRO 100 N 3.09 0.00 -0.74 4.34 0.11 -1.98 -1.79 132.00 135.03 1sdk h PRO 100 Ca -0.48 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.75 1sdk h PRO 100 Cb 1.23 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.29 1sdk h PRO 100 CO 0.64 0.00 0.49 1.49 -0.21 0.00 0.00 178.00 180.42 1sdk h GLU 101 N 0.00 0.53 0.00 1.05 4.57 -1.99 -0.32 114.58 118.41 1sdk h GLU 101 Ca -0.00 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1sdk h GLU 101 Cb 0.17 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1sdk h GLU 101 CO 0.00 0.35 -0.10 -0.91 -1.18 0.00 0.00 179.01 177.17 1sdk h ASN 102 N 0.54 0.00 -0.21 1.04 4.21 -1.70 -1.47 115.58 117.99 1sdk h ASN 102 Ca 0.36 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.77 1sdk h ASN 102 Cb 0.64 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.82 1sdk h ASN 102 CO -0.13 0.10 -0.16 -0.26 -1.29 0.00 0.00 177.43 175.69 1sdk h PHE 103 N 0.00 0.69 -0.42 1.19 0.04 -1.22 0.47 116.94 117.70 1sdk h PHE 103 Ca -0.00 -0.13 -0.13 0.00 2.80 0.00 0.00 57.97 60.51 1sdk h PHE 103 Cb 0.47 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 1sdk h PHE 103 CO 0.00 0.76 -0.25 0.00 -0.60 0.00 0.00 178.31 178.21 1sdk h ARG 104 N 0.57 0.91 -0.08 1.51 3.08 -1.35 -0.82 114.38 118.20 1sdk h ARG 104 Ca 0.09 -0.42 -0.00 0.00 0.07 0.00 0.00 59.98 59.72 1sdk h ARG 104 Cb 0.60 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 1sdk h ARG 104 CO 0.04 1.08 0.05 -0.07 -1.07 0.00 0.00 179.97 179.99 1sdk h LEU 105 N 0.74 0.10 -0.83 3.04 3.38 -0.88 -1.02 115.31 119.85 1sdk h LEU 105 Ca 0.09 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1sdk h LEU 105 Cb 0.83 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 1sdk h LEU 105 CO 0.07 0.14 0.41 0.25 0.09 0.00 0.00 178.44 179.40 1sdk h LEU 106 N 0.05 1.07 -0.88 1.67 5.85 -0.82 -0.78 115.31 121.46 1sdk h LEU 106 Ca 0.03 -0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.69 1sdk h LEU 106 Cb 0.07 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 40.75 1sdk h LEU 106 CO -0.00 0.90 0.55 1.23 -0.34 0.00 0.00 178.44 180.77 1sdk h GLY 107 N 1.17 1.35 1.67 3.75 0.00 -0.83 0.68 103.07 110.86 1sdk h GLY 107 Ca 0.28 -0.39 -0.13 0.00 0.00 0.00 0.00 47.33 47.10 1sdk h GLY 107 CO -0.04 0.24 -0.48 3.43 0.00 0.00 0.00 176.54 179.69 1sdk h ASN 108 N 0.97 0.38 -0.41 0.19 -0.26 -0.56 -1.36 115.58 114.53 1sdk h ASN 108 Ca 0.40 -0.18 -0.06 0.00 -0.56 0.00 0.00 56.30 55.90 1sdk h ASN 108 Cb 0.24 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.37 1sdk h ASN 108 CO -0.20 0.80 0.03 0.58 -1.06 0.00 0.00 177.43 177.59 1sdk h VAL 109 N 0.28 1.25 -0.95 2.81 2.07 -0.54 -1.52 116.25 119.66 1sdk h VAL 109 Ca 0.02 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1sdk h VAL 109 Cb 0.95 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.74 1sdk h VAL 109 CO 0.08 0.33 0.60 0.25 0.02 0.00 0.00 177.57 178.85 1sdk h LEU 110 N 0.55 1.11 -0.20 2.57 5.85 -0.44 -1.21 115.31 123.54 1sdk h LEU 110 Ca 0.12 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1sdk h LEU 110 Cb 0.43 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1sdk h LEU 110 CO 0.02 0.82 0.10 0.58 -0.34 0.00 0.00 178.44 179.62 1sdk h VAL 111 N 1.29 1.00 -0.92 1.05 2.07 -0.74 0.13 116.25 120.14 1sdk h VAL 111 Ca 0.34 -0.07 0.08 0.00 0.82 0.00 0.00 66.70 67.87 1sdk h VAL 111 Cb -0.11 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 30.36 1sdk h VAL 111 CO -0.07 0.04 0.57 0.00 0.02 0.00 0.00 177.57 178.13 1sdk h VAL 113 N 0.99 1.27 -0.58 0.00 2.07 -0.80 0.25 116.25 119.45 1sdk h VAL 113 Ca 0.42 -1.49 -0.05 0.00 0.82 0.00 0.00 66.70 66.40 1sdk h VAL 113 Cb 0.27 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 1sdk h VAL 113 CO -0.21 0.50 0.17 -0.07 0.02 0.00 0.00 177.57 177.99 1sdk h LEU 114 N 0.78 0.81 -0.61 2.57 3.38 -0.33 0.24 115.31 122.16 1sdk h LEU 114 Ca 0.08 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 1sdk h LEU 114 Cb 0.91 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1sdk h LEU 114 CO 0.08 0.77 -0.16 0.00 0.09 0.00 0.00 178.44 179.23 1sdk h ALA 115 N 1.34 0.81 -0.59 1.53 0.00 -0.77 0.94 119.26 122.51 1sdk h ALA 115 Ca 0.19 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1sdk h ALA 115 Cb 0.26 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1sdk h ALA 115 CO -0.01 0.66 -0.03 1.25 0.00 0.00 0.00 179.25 181.12 1sdk h HIS 116 N 0.82 1.18 0.05 0.00 6.17 0.40 0.11 115.15 123.88 1sdk h HIS 116 Ca 0.12 -0.22 -0.23 0.00 0.71 0.00 0.00 60.37 60.75 1sdk h HIS 116 Cb 0.71 -0.30 -0.01 0.00 2.52 0.00 0.00 27.41 30.33 1sdk h HIS 116 CO 0.04 1.05 -1.05 1.25 0.71 0.00 0.00 177.93 179.93 1sdk h HIS 117 N 0.97 0.36 -0.01 5.26 6.17 -0.24 -3.35 115.15 124.31 1sdk h HIS 117 Ca 0.16 -0.23 0.00 0.00 0.71 0.00 0.00 60.37 61.01 1sdk h HIS 117 Cb 0.60 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 30.50 1sdk h HIS 117 CO 0.04 1.12 -0.66 1.19 0.71 0.00 0.00 177.93 180.33 1sdk n PHE 118 N -3.57 0.00 -1.15 5.26 3.72 0.30 -5.06 117.46 116.96 1sdk n PHE 118 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1sdk n PHE 118 Cb 0.92 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.46 1sdk n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sdk n GLY 119 N 1.37 3.11 0.31 1.37 0.00 0.39 -2.08 105.19 109.67 1sdk n GLY 119 Ca 0.06 -0.15 0.17 0.00 0.00 0.00 0.00 46.02 46.09 1sdk n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sdk h LYS 120 N 0.00 0.00 0.00 1.61 6.56 -1.97 0.47 116.57 123.24 1sdk h LYS 120 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1sdk h LYS 120 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1sdk h LYS 120 CO 0.00 0.00 0.00 1.49 -2.06 0.00 0.00 179.45 178.88 1sdk h GLU 121 N 0.00 0.00 -3.29 3.15 4.81 -1.81 -3.29 114.58 114.14 1sdk h GLU 121 Ca 0.01 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.50 1sdk h GLU 121 Cb 0.10 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.36 1sdk h GLU 121 CO -0.00 0.00 2.29 0.34 -0.73 0.00 0.00 179.01 180.91 1sdk n PHE 122 N -2.32 2.86 -1.08 0.92 7.35 0.15 -4.96 117.46 120.39 1sdk n PHE 122 Ca 0.02 -2.82 -0.30 0.00 -0.76 0.00 0.00 57.45 53.59 1sdk n PHE 122 Cb 0.23 -1.99 0.15 0.00 0.35 0.00 0.00 39.48 38.22 1sdk n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1sdk s THR 123 N 0.28 2.52 0.30 -2.13 -4.23 -1.24 -4.67 115.64 106.46 1sdk s THR 123 Ca 0.45 0.17 -0.01 0.00 -1.18 0.00 0.00 61.69 61.12 1sdk s THR 123 Cb 0.13 -2.56 0.27 0.00 1.34 0.00 0.00 72.50 71.68 1sdk s THR 123 CO -0.03 -0.22 1.93 -0.65 -0.54 0.00 0.00 174.62 175.11 1sdk h PRO 124 N -1.71 1.05 -0.31 3.99 0.11 -1.94 0.11 132.00 133.29 1sdk h PRO 124 Ca -0.50 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.42 1sdk h PRO 124 Cb 1.29 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1sdk h PRO 124 CO 0.53 0.69 -0.31 -1.35 -0.21 0.00 0.00 178.00 177.35 1sdk h PRO 125 N 1.08 0.67 -0.21 1.05 0.11 -1.99 -1.09 132.00 131.62 1sdk h PRO 125 Ca 0.36 -0.30 -0.19 0.00 0.11 0.00 0.00 66.00 65.98 1sdk h PRO 125 Cb 0.08 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.17 1sdk h PRO 125 CO -0.12 0.89 -0.63 0.28 -0.21 0.00 0.00 178.00 178.22 1sdk h VAL 126 N 0.57 1.30 -0.90 3.15 2.07 -1.73 -1.43 116.25 119.27 1sdk h VAL 126 Ca 0.07 -1.85 0.02 0.00 0.82 0.00 0.00 66.70 65.76 1sdk h VAL 126 Cb 0.81 1.80 -0.05 0.00 -1.52 0.00 0.00 31.29 32.33 1sdk h VAL 126 CO 0.07 0.59 0.59 -0.61 0.02 0.00 0.00 177.57 178.23 1sdk h GLN 127 N 0.54 1.14 -0.73 1.57 4.15 -0.66 -1.22 115.11 119.91 1sdk h GLN 127 Ca -0.01 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 1sdk h GLN 127 Cb 1.23 -0.26 -0.04 0.00 0.21 0.00 0.00 27.48 28.62 1sdk h GLN 127 CO 0.13 0.76 0.45 0.00 -1.93 0.00 0.00 178.83 178.24 1sdk h ALA 128 N 1.35 0.92 -0.53 3.38 0.00 -0.79 0.96 119.26 124.55 1sdk h ALA 128 Ca 0.35 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1sdk h ALA 128 Cb -0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1sdk h ALA 128 CO -0.10 0.38 0.17 0.00 0.00 0.00 0.00 179.25 179.70 1sdk h ALA 129 N 1.24 0.70 -0.13 0.00 0.00 -0.75 -2.74 119.26 117.57 1sdk h ALA 129 Ca 0.26 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1sdk h ALA 129 Cb -0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1sdk h ALA 129 CO -0.05 0.35 -0.17 1.88 0.00 0.00 0.00 179.25 181.26 1sdk h TYR 130 N 0.73 0.23 -0.42 0.00 0.05 -0.70 -1.75 116.97 115.11 1sdk h TYR 130 Ca 0.17 -0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.85 1sdk h TYR 130 Cb 0.27 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 37.93 1sdk h TYR 130 CO 0.02 0.39 -0.04 1.96 -1.05 0.00 0.00 178.16 179.44 1sdk h GLN 131 N 0.20 0.70 -0.35 4.88 1.08 -0.64 0.42 115.11 121.41 1sdk h GLN 131 Ca 0.04 -0.19 -0.07 0.00 -1.45 0.00 0.00 58.65 56.98 1sdk h GLN 131 Cb 0.43 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.77 1sdk h GLN 131 CO 0.03 0.74 -0.04 0.87 -0.95 0.00 0.00 178.83 179.48 1sdk h LYS 132 N 0.65 0.64 0.26 1.46 1.57 -1.05 -1.31 116.57 118.79 1sdk h LYS 132 Ca 0.13 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1sdk h LYS 132 Cb 0.46 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1sdk h LYS 132 CO 0.02 0.78 -0.13 0.28 -0.57 0.00 0.00 179.45 179.84 1sdk h VAL 133 N 0.44 0.77 -0.02 0.50 2.07 -0.84 0.12 116.25 119.28 1sdk h VAL 133 Ca 0.09 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 1sdk h VAL 133 Cb 0.52 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1sdk h VAL 133 CO 0.03 0.04 -0.16 -0.37 0.02 0.00 0.00 177.57 177.12 1sdk h VAL 134 N -0.45 1.13 -0.41 2.57 -1.51 -0.10 0.13 116.25 117.61 1sdk h VAL 134 Ca -0.04 -0.61 -0.09 0.00 -1.23 0.00 0.00 66.70 64.73 1sdk h VAL 134 Cb 0.34 1.30 -0.02 0.00 -2.13 0.00 0.00 31.29 30.78 1sdk h VAL 134 CO 0.06 0.18 -0.12 0.00 -1.23 0.00 0.00 177.57 176.46 1sdk h ALA 135 N 1.80 1.03 -0.12 5.19 0.00 -1.03 -1.12 119.26 125.01 1sdk h ALA 135 Ca 0.01 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 1sdk h ALA 135 Cb 0.31 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1sdk h ALA 135 CO 0.02 0.58 -0.40 0.78 0.00 0.00 0.00 179.25 180.24 1sdk h GLY 136 N 0.97 0.54 1.25 0.00 0.00 0.17 -2.02 103.07 103.98 1sdk h GLY 136 Ca 0.11 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 1sdk h GLY 136 CO 0.04 0.63 0.40 -2.08 0.00 0.00 0.00 176.54 175.53 1sdk h VAL 137 N 0.09 1.21 -0.38 4.60 2.07 -0.90 0.40 116.25 123.34 1sdk h VAL 137 Ca -0.01 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 1sdk h VAL 137 Cb 1.03 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1sdk h VAL 137 CO 0.09 0.23 0.13 0.00 0.02 0.00 0.00 177.57 178.04 1sdk h ALA 138 N 1.44 0.49 -0.44 1.67 0.00 -1.11 0.12 119.26 121.43 1sdk h ALA 138 Ca 0.26 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1sdk h ALA 138 Cb 0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1sdk h ALA 138 CO -0.04 0.12 -0.08 -0.91 0.00 0.00 0.00 179.25 178.34 1sdk h ASN 139 N 0.46 0.84 -0.80 0.00 2.35 -0.99 -1.89 115.58 115.55 1sdk h ASN 139 Ca 0.12 -0.35 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1sdk h ASN 139 Cb 0.22 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 1sdk h ASN 139 CO -0.01 0.99 0.51 0.00 -1.65 0.00 0.00 177.43 177.27 1sdk h ALA 140 N 0.88 1.38 0.00 -0.83 0.00 -0.65 -1.75 119.26 118.29 1sdk h ALA 140 Ca 0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1sdk h ALA 140 Cb 0.61 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1sdk h ALA 140 CO 0.04 0.55 -0.16 -0.07 0.00 0.00 0.00 179.25 179.61 1sdk h LEU 141 N 1.10 0.00 -0.18 0.00 3.38 -0.42 -3.10 115.31 116.09 1sdk h LEU 141 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1sdk h LEU 141 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1sdk h LEU 141 CO -0.06 0.16 -0.29 0.00 0.09 0.00 0.00 178.44 178.33 1sdk n ALA 142 N -2.19 3.11 -0.34 1.53 0.00 -0.69 -4.45 120.51 117.48 1sdk n ALA 142 Ca 0.00 -0.32 0.03 0.00 0.00 0.00 0.00 53.44 53.16 1sdk n ALA 142 Cb 0.38 -1.21 0.10 0.00 0.00 0.00 0.00 19.45 18.73 1sdk n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1sdk h HIS 143 N 0.43 -0.63 0.00 0.00 6.17 -1.39 -0.03 115.15 119.70 1sdk h HIS 143 Ca 0.00 0.09 0.00 0.00 0.71 0.00 0.00 60.37 61.17 1sdk h HIS 143 Cb 0.47 0.42 0.00 0.00 2.52 0.00 0.00 27.41 30.82 1sdk h HIS 143 CO 0.00 -0.40 0.00 1.63 0.71 0.00 0.00 177.93 179.87 1sdk n LYS 144 N -5.56 0.01 0.23 5.26 4.76 -1.26 -2.12 118.16 119.48 1sdk n LYS 144 Ca 0.13 0.14 0.12 0.00 -2.87 0.00 0.00 58.31 55.83 1sdk n LYS 144 Cb 0.45 -1.52 0.42 0.00 -1.84 0.00 0.00 35.03 32.54 1sdk n LYS 144 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 1sdk h TYR 145 N 0.00 0.00 -0.03 2.13 -1.99 -1.29 -3.49 116.97 112.30 1sdk h TYR 145 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1sdk h TYR 145 Cb 0.38 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.11 1sdk h TYR 145 CO 0.00 0.12 0.00 0.72 -0.00 0.00 0.00 178.16 179.00