#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 1.04 0.01 3.52 0.09 -1.26 -4.97 115.29 113.72 1sdk s HIS 2 Ca 0.00 -1.09 0.00 0.00 -0.00 0.00 0.00 55.06 53.97 1sdk s HIS 2 Cb 0.00 -1.19 -0.04 0.00 -0.00 0.00 0.00 32.58 31.35 1sdk s HIS 2 CO 0.00 -0.73 0.09 -0.51 -0.00 0.00 0.00 174.74 173.60 1sdk s LEU 3 N 1.85 3.93 0.95 0.89 1.43 -1.26 -5.11 118.68 121.37 1sdk s LEU 3 Ca 0.04 0.13 -0.13 0.00 -1.03 0.00 0.00 54.13 53.15 1sdk s LEU 3 Cb -0.17 -2.37 0.16 0.00 0.03 0.00 0.00 46.19 43.85 1sdk s LEU 3 CO -0.19 0.25 1.12 0.42 0.23 0.00 0.00 176.35 178.18 1sdk s THR 4 N -1.25 1.99 0.33 5.49 -4.23 -1.26 -4.72 115.64 111.98 1sdk s THR 4 Ca 0.25 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.84 1sdk s THR 4 Cb -0.12 -2.66 0.08 0.00 1.34 0.00 0.00 72.50 71.14 1sdk s THR 4 CO 0.16 0.00 1.78 -0.65 -0.54 0.00 0.00 174.62 175.37 1sdk h PRO 5 N -1.68 0.21 -0.74 3.99 0.11 -1.99 0.16 132.00 132.05 1sdk h PRO 5 Ca -0.52 -0.08 -0.05 0.00 0.11 0.00 0.00 66.00 65.46 1sdk h PRO 5 Cb 1.33 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.40 1sdk h PRO 5 CO 0.59 0.52 0.27 0.93 -0.21 0.00 0.00 178.00 180.10 1sdk h GLU 6 N 0.19 1.13 -0.20 1.05 3.07 -2.00 -2.71 114.58 115.11 1sdk h GLU 6 Ca 0.02 -0.23 -0.10 0.00 -0.50 0.00 0.00 59.36 58.56 1sdk h GLU 6 Cb 0.67 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1sdk h GLU 6 CO 0.05 0.95 -0.27 0.93 -1.40 0.00 0.00 179.01 179.27 1sdk h GLU 7 N 1.09 0.54 -0.91 2.33 5.08 -1.40 -2.32 114.58 118.98 1sdk h GLU 7 Ca 0.24 -0.31 0.10 0.00 -1.00 0.00 0.00 59.36 58.39 1sdk h GLU 7 Cb 0.26 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.47 1sdk h GLU 7 CO -0.01 0.91 0.59 0.87 -1.00 0.00 0.00 179.01 180.36 1sdk h LYS 8 N 0.21 0.89 -0.19 2.33 1.57 -0.59 -0.21 116.57 120.57 1sdk h LYS 8 Ca 0.02 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 1sdk h LYS 8 Cb 0.84 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 1sdk h LYS 8 CO 0.06 0.59 -0.33 1.03 -0.57 0.00 0.00 179.45 180.24 1sdk h SER 9 N 0.92 0.62 -0.30 0.86 0.87 -1.49 -2.29 113.55 112.73 1sdk h SER 9 Ca 0.42 -0.53 -0.08 0.00 -1.23 0.00 0.00 61.79 60.37 1sdk h SER 9 Cb 0.40 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 1sdk h SER 9 CO -0.19 1.03 -0.07 0.00 -0.53 0.00 0.00 176.83 177.08 1sdk h ALA 10 N 0.60 1.12 -0.26 6.23 0.00 -0.73 0.15 119.26 126.37 1sdk h ALA 10 Ca 0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1sdk h ALA 10 Cb 0.91 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1sdk h ALA 10 CO 0.07 0.55 0.07 0.28 0.00 0.00 0.00 179.25 180.23 1sdk h VAL 11 N 0.64 1.21 -0.09 0.00 2.07 -0.99 -2.47 116.25 116.62 1sdk h VAL 11 Ca 0.12 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 66.97 1sdk h VAL 11 Cb 0.50 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1sdk h VAL 11 CO 0.03 0.22 0.01 0.74 0.02 0.00 0.00 177.57 178.59 1sdk h THR 12 N 0.25 0.96 -0.72 2.57 2.02 -1.11 -0.99 112.91 115.89 1sdk h THR 12 Ca 0.08 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.22 1sdk h THR 12 Cb 0.27 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 1sdk h THR 12 CO -0.00 0.01 0.37 0.00 0.37 0.00 0.00 175.52 176.27 1sdk h ALA 13 N 1.07 1.29 -0.02 6.16 0.00 -0.90 -2.64 119.26 124.22 1sdk h ALA 13 Ca 0.04 -0.13 -0.22 0.00 0.00 0.00 0.00 54.91 54.61 1sdk h ALA 13 Cb 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1sdk h ALA 13 CO -0.06 0.56 -0.89 1.25 0.00 0.00 0.00 179.25 180.11 1sdk h LEU 14 N 1.01 0.51 -1.47 0.00 5.85 -1.07 -3.26 115.31 116.88 1sdk h LEU 14 Ca 0.25 -0.39 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 1sdk h LEU 14 Cb 0.07 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1sdk h LEU 14 CO -0.04 1.18 -0.13 -0.25 -0.34 0.00 0.00 178.44 178.86 1sdk h TRP 15 N 0.23 0.18 0.00 1.25 2.91 -0.85 -1.27 115.95 118.41 1sdk h TRP 15 Ca -0.07 -0.02 -0.02 0.00 1.13 0.00 0.00 58.89 59.92 1sdk h TRP 15 Cb 1.52 -0.05 -0.00 0.00 -0.51 0.00 0.00 29.16 30.11 1sdk h TRP 15 CO 0.05 0.31 -0.09 0.78 -1.03 0.00 0.00 178.44 178.47 1sdk h GLY 16 N 0.68 0.00 -1.20 2.65 0.00 -1.53 -1.82 103.07 101.86 1sdk h GLY 16 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1sdk h GLY 16 CO 0.02 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.84 1sdk n LYS 17 N -3.85 1.95 -2.55 4.80 5.02 -0.48 -4.94 118.16 118.10 1sdk n LYS 17 Ca -0.02 -1.41 -0.40 0.00 -2.02 0.00 0.00 58.31 54.45 1sdk n LYS 17 Cb 0.19 -1.44 -0.05 0.00 -0.02 0.00 0.00 35.03 33.72 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 -1.76 3.75 -0.72 -0.18 1.01 -0.69 -4.96 120.40 116.85 1sdk s VAL 18 Ca 0.34 1.66 -0.24 0.00 0.00 0.00 0.00 61.98 63.75 1sdk s VAL 18 Cb 0.19 -4.06 0.06 0.00 0.00 0.00 0.00 36.38 32.57 1sdk s VAL 18 CO 0.29 0.36 1.11 0.21 0.00 0.00 0.00 175.10 177.07 1sdk s ASN 19 N -0.65 6.21 0.32 3.32 3.84 -1.26 -4.87 114.94 121.86 1sdk s ASN 19 Ca 0.45 -0.89 0.09 0.00 0.21 0.00 0.00 52.86 52.73 1sdk s ASN 19 Cb -0.30 -2.48 0.86 0.00 -0.55 0.00 0.00 41.25 38.79 1sdk s ASN 19 CO 0.37 -1.57 1.75 0.58 -2.79 0.00 0.00 177.10 175.45 1sdk h VAL 20 N 6.03 0.60 0.00 -5.21 2.07 -1.96 -0.87 116.25 116.91 1sdk h VAL 20 Ca -0.23 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1sdk h VAL 20 Cb 1.06 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1sdk h VAL 20 CO 1.23 0.11 0.00 0.47 0.02 0.00 0.00 177.57 179.40 1sdk n ASP 21 N -4.81 0.59 0.00 0.57 8.00 -1.26 -4.41 116.55 115.24 1sdk n ASP 21 Ca 0.25 0.60 0.00 0.00 0.71 0.00 0.00 54.79 56.35 1sdk n ASP 21 Cb 0.69 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 1sdk n ASP 21 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1sdk n GLU 22 N -2.10 0.00 -0.23 -1.24 -0.58 -0.70 -4.73 120.64 111.06 1sdk n GLU 22 Ca 0.04 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.92 1sdk n GLU 22 Cb 0.32 -0.60 0.43 0.00 -0.57 0.00 0.00 31.44 31.02 1sdk n GLU 22 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1sdk h VAL 23 N 0.00 0.80 -0.08 2.62 2.07 -1.41 -0.85 116.25 119.40 1sdk h VAL 23 Ca 0.00 -0.20 -0.16 0.00 0.82 0.00 0.00 66.70 67.17 1sdk h VAL 23 Cb 0.88 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1sdk h VAL 23 CO 0.00 0.10 -0.64 1.23 0.02 0.00 0.00 177.57 178.28 1sdk h GLY 24 N 0.57 0.32 1.73 2.17 0.00 -1.77 0.88 103.07 106.98 1sdk h GLY 24 Ca 0.43 -0.42 -0.17 0.00 0.00 0.00 0.00 47.33 47.17 1sdk h GLY 24 CO -0.18 0.37 -0.72 -1.33 0.00 0.00 0.00 176.54 174.69 1sdk h GLY 25 N 1.43 0.29 0.90 4.60 0.00 -1.55 -1.83 103.07 106.91 1sdk h GLY 25 Ca -0.01 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 46.83 1sdk h GLY 25 CO 0.10 0.37 -0.07 0.83 0.00 0.00 0.00 176.54 177.78 1sdk h GLU 26 N 0.18 0.59 -0.11 4.80 5.08 -0.79 0.14 114.58 124.47 1sdk h GLU 26 Ca -0.02 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 1sdk h GLU 26 Cb 1.28 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 1sdk h GLU 26 CO 0.11 0.77 0.01 0.00 -1.00 0.00 0.00 179.01 178.91 1sdk h ALA 27 N 0.80 0.15 -0.79 3.43 0.00 -0.79 0.16 119.26 122.22 1sdk h ALA 27 Ca 0.08 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1sdk h ALA 27 Cb 0.55 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1sdk h ALA 27 CO 0.03 -0.19 0.31 1.25 0.00 0.00 0.00 179.25 180.65 1sdk h LEU 28 N -0.06 1.09 -0.54 0.00 5.85 -1.32 -0.93 115.31 119.40 1sdk h LEU 28 Ca 0.03 -0.18 -0.13 0.00 0.84 0.00 0.00 57.88 58.44 1sdk h LEU 28 Cb 0.32 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1sdk h LEU 28 CO 0.00 0.97 -0.26 1.23 -0.34 0.00 0.00 178.44 180.04 1sdk h GLY 29 N 1.15 0.97 1.79 3.75 0.00 -0.77 -1.85 103.07 108.12 1sdk h GLY 29 Ca 0.26 -0.89 -0.09 0.00 0.00 0.00 0.00 47.33 46.62 1sdk h GLY 29 CO -0.02 0.80 -0.31 3.21 0.00 0.00 0.00 176.54 180.23 1sdk h ARG 30 N 0.77 0.24 -0.36 4.80 3.08 -0.70 -1.63 114.38 120.58 1sdk h ARG 30 Ca 0.09 -0.09 0.02 0.00 0.07 0.00 0.00 59.98 60.07 1sdk h ARG 30 Cb 0.82 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.83 1sdk h ARG 30 CO 0.07 0.53 0.19 1.25 -1.07 0.00 0.00 179.97 180.94 1sdk h LEU 31 N 0.21 0.29 -1.46 3.04 5.85 -0.70 0.28 115.31 122.82 1sdk h LEU 31 Ca 0.03 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 1sdk h LEU 31 Cb 0.66 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1sdk h LEU 31 CO 0.05 0.21 -0.28 -0.07 -0.34 0.00 0.00 178.44 178.01 1sdk h LEU 32 N 0.39 0.00 0.08 2.25 3.38 -0.59 -0.62 115.31 120.20 1sdk h LEU 32 Ca 0.15 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.93 1sdk h LEU 32 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1sdk h LEU 32 CO -0.09 0.28 -0.95 0.58 0.09 0.00 0.00 178.44 178.35 1sdk h VAL 33 N 0.00 1.30 -0.05 1.22 2.07 -1.07 -3.34 116.25 116.37 1sdk h VAL 33 Ca -0.00 -2.40 -0.22 0.00 0.82 0.00 0.00 66.70 64.91 1sdk h VAL 33 Cb 0.51 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 33.19 1sdk h VAL 33 CO 0.04 0.63 -0.86 0.58 0.02 0.00 0.00 177.57 177.98 1sdk h VAL 34 N -0.56 1.36 -3.13 2.57 2.07 -0.93 -3.38 116.25 114.25 1sdk h VAL 34 Ca -0.21 -2.26 -0.62 0.00 0.82 0.00 0.00 66.70 64.44 1sdk h VAL 34 Cb 1.51 2.25 -0.42 0.00 -1.52 0.00 0.00 31.29 33.11 1sdk h VAL 34 CO 0.03 0.68 -0.60 -0.31 0.02 0.00 0.00 177.57 177.40 1sdk s TYR 35 N -3.46 3.40 0.58 1.57 2.02 -0.24 -4.99 117.35 116.23 1sdk s TYR 35 Ca -0.07 -3.27 0.27 0.00 -0.37 0.00 0.00 57.07 53.63 1sdk s TYR 35 Cb 0.09 -2.68 1.68 0.00 -0.40 0.00 0.00 41.96 40.65 1sdk s TYR 35 CO 0.87 -0.60 2.20 -1.00 -1.57 0.00 0.00 175.55 175.45 1sdk h PRO 36 N 5.67 0.00 0.00 -1.71 0.13 -1.75 -0.59 132.00 133.75 1sdk h PRO 36 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1sdk h PRO 36 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1sdk h PRO 36 CO 0.70 0.00 0.00 0.11 -0.23 0.00 0.00 178.00 178.58 1sdk h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.93 -1.79 115.95 113.88 1sdk h TRP 37 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.00 1sdk h TRP 37 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.35 1sdk h TRP 37 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.32 1sdk h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.43 -2.77 112.91 110.18 1sdk h THR 38 Ca 0.00 -0.29 -0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1sdk h THR 38 Cb 0.35 1.07 -0.00 0.00 -1.73 0.00 0.00 68.15 67.84 1sdk h THR 38 CO 0.00 0.00 -0.01 1.56 -0.25 0.00 0.00 175.52 176.82 1sdk h GLN 39 N 0.00 0.00 -0.80 4.72 4.20 -1.52 -2.78 115.11 118.93 1sdk h GLN 39 Ca 0.00 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.83 1sdk h GLN 39 Cb 0.41 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.14 1sdk h GLN 39 CO 0.00 0.01 0.52 -0.09 -0.67 0.00 0.00 178.83 178.60 1sdk h ARG 40 N 0.00 0.63 -0.00 1.46 2.43 -1.69 -0.96 114.38 116.25 1sdk h ARG 40 Ca -0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1sdk h ARG 40 Cb 0.31 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1sdk h ARG 40 CO 0.00 0.42 -0.04 1.19 -1.51 0.00 0.00 179.97 180.03 1sdk n PHE 41 N -4.51 0.00 -2.05 2.20 3.72 -1.05 -3.61 117.46 112.16 1sdk n PHE 41 Ca 0.14 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.58 1sdk n PHE 41 Cb 0.40 -0.32 0.11 0.00 -0.94 0.00 0.00 39.48 38.73 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 -1.29 0.19 0.32 1.38 3.72 -0.39 -4.86 117.46 116.54 1sdk n PHE 42 Ca 0.12 -1.15 0.21 0.00 -0.05 0.00 0.00 57.45 56.58 1sdk n PHE 42 Cb 0.27 -0.21 1.10 0.00 -0.94 0.00 0.00 39.48 39.70 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 1.13 0.00 -0.62 -1.08 5.08 -1.56 -0.14 114.58 117.39 1sdk h GLU 43 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1sdk h GLU 43 Cb 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1sdk h GLU 43 CO 0.09 0.01 0.00 -1.13 -1.00 0.00 0.00 179.01 176.97 1sdk n SER 44 N -3.24 3.63 -0.23 1.42 3.41 -1.26 -4.28 113.62 113.07 1sdk n SER 44 Ca -0.03 -2.18 0.15 0.00 -0.26 0.00 0.00 58.87 56.56 1sdk n SER 44 Cb 0.10 -0.46 0.74 0.00 -0.26 0.00 0.00 64.21 64.33 1sdk n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1sdk n PHE 45 N 1.10 0.00 0.00 7.33 3.01 -0.07 -5.02 117.46 123.81 1sdk n PHE 45 Ca 0.21 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.67 1sdk n PHE 45 Cb 0.63 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.09 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 1.10 -0.94 3.65 1.37 0.00 -1.26 -4.75 105.19 104.36 1sdk n GLY 46 Ca 0.21 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 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 6.52 -0.11 1.61 2.15 -1.26 -4.86 116.67 116.72 1sdk s ASP 47 Ca 0.00 2.08 0.16 0.00 0.43 0.00 0.00 52.55 55.22 1sdk s ASP 47 Cb 0.00 -2.53 0.26 0.00 -0.30 0.00 0.00 42.92 40.34 1sdk s ASP 47 CO 0.00 -1.07 1.13 0.18 -0.17 0.00 0.00 175.17 175.24 1sdk n LEU 48 N 7.71 2.03 0.24 -1.34 4.77 -1.26 -4.14 117.00 125.00 1sdk n LEU 48 Ca 0.18 -2.82 0.15 0.00 -0.03 0.00 0.00 56.01 53.50 1sdk n LEU 48 Cb 0.43 -0.37 0.55 0.00 -2.33 0.00 0.00 43.42 41.70 1sdk n LEU 48 CO 0.63 0.67 0.93 0.77 -1.33 0.00 0.00 177.39 179.07 1sdk h SER 49 N 0.04 0.00 -5.17 -1.43 4.64 -1.91 -3.43 113.55 106.30 1sdk h SER 49 Ca -0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 1sdk h SER 49 Cb 1.06 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.00 1sdk h SER 49 CO 0.00 0.00 -0.68 0.42 -0.87 0.00 0.00 176.83 175.70 1sdk s THR 50 N -3.50 0.27 0.24 2.95 -4.23 -1.26 -5.01 115.64 105.10 1sdk s THR 50 Ca 0.03 -1.83 -0.05 0.00 -1.18 0.00 0.00 61.69 58.66 1sdk s THR 50 Cb 0.08 -1.58 0.20 0.00 1.34 0.00 0.00 72.50 72.55 1sdk s THR 50 CO 0.55 -0.95 1.74 -0.65 -0.54 0.00 0.00 174.62 174.77 1sdk h PRO 51 N 3.11 0.46 -0.43 3.99 0.11 -1.99 -0.17 132.00 137.07 1sdk h PRO 51 Ca -0.34 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.62 1sdk h PRO 51 Cb 1.15 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1sdk h PRO 51 CO 0.65 0.30 -0.23 -0.44 -0.21 0.00 0.00 178.00 178.08 1sdk h ASP 52 N 0.47 0.90 -0.79 -2.05 5.19 -1.97 0.15 116.42 118.31 1sdk h ASP 52 Ca 0.39 -0.33 0.03 0.00 -0.62 0.00 0.00 57.03 56.50 1sdk h ASP 52 Cb 0.56 -0.25 -0.05 0.00 0.18 0.00 0.00 39.33 39.77 1sdk h ASP 52 CO -0.37 1.08 0.51 0.00 -3.12 0.00 0.00 179.24 177.35 1sdk h ALA 53 N 0.98 1.04 -0.03 3.45 0.00 -1.42 -2.33 119.26 120.94 1sdk h ALA 53 Ca 0.10 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1sdk h ALA 53 Cb 0.77 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1sdk h ALA 53 CO 0.06 0.34 -0.38 0.28 0.00 0.00 0.00 179.25 179.55 1sdk h VAL 54 N 1.00 1.47 -0.31 0.00 2.07 -0.86 -2.94 116.25 116.68 1sdk h VAL 54 Ca 0.31 -1.91 -0.09 0.00 0.82 0.00 0.00 66.70 65.83 1sdk h VAL 54 Cb -0.02 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1sdk h VAL 54 CO -0.10 0.54 -0.20 0.24 0.02 0.00 0.00 177.57 178.07 1sdk h MET 55 N -0.26 0.57 -0.10 1.57 2.86 -0.63 -2.66 114.93 116.29 1sdk h MET 55 Ca -0.04 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1sdk h MET 55 Cb 1.09 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.70 1sdk h MET 55 CO 0.08 0.74 0.00 0.41 1.06 0.00 0.00 176.91 179.20 1sdk n GLY 56 N -0.42 0.42 3.65 8.32 0.00 -0.89 -4.79 105.19 111.48 1sdk n GLY 56 Ca 0.00 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 1sdk n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1sdk n ASN 57 N 0.55 3.89 0.04 1.61 2.85 -1.00 -4.87 115.26 118.33 1sdk n ASN 57 Ca 0.17 0.77 0.05 0.00 -0.11 0.00 0.00 54.58 55.46 1sdk n ASN 57 Cb 0.41 -1.51 0.46 0.00 1.24 0.00 0.00 39.78 40.38 1sdk n ASN 57 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1sdk h PRO 58 N 11.31 0.45 0.00 1.20 0.13 -1.90 -2.01 132.00 141.17 1sdk h PRO 58 Ca -0.48 -0.03 -0.17 0.00 -0.87 0.00 0.00 66.00 64.46 1sdk h PRO 58 Cb 1.25 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 1sdk h PRO 58 CO 0.95 0.30 -0.79 0.87 -0.23 0.00 0.00 178.00 179.10 1sdk h LYS 59 N 0.47 0.00 0.19 0.86 1.57 -1.89 -1.65 116.57 116.11 1sdk h LYS 59 Ca 0.13 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1sdk h LYS 59 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1sdk h LYS 59 CO -0.03 0.79 -0.09 0.28 -0.57 0.00 0.00 179.45 179.83 1sdk h VAL 60 N 0.00 0.89 -0.97 0.50 2.07 -1.73 -0.74 116.25 116.26 1sdk h VAL 60 Ca -0.01 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.17 1sdk h VAL 60 Cb 1.45 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 32.28 1sdk h VAL 60 CO 0.10 0.08 0.64 0.11 0.02 0.00 0.00 177.57 178.52 1sdk h LYS 61 N -0.42 1.25 -0.07 1.57 1.57 -1.37 0.11 116.57 119.21 1sdk h LYS 61 Ca -0.03 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1sdk h LYS 61 Cb 0.33 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1sdk h LYS 61 CO 0.04 0.83 -0.00 0.00 -0.57 0.00 0.00 179.45 179.75 1sdk h ALA 62 N 1.37 0.09 -0.32 3.86 0.00 -1.17 -2.70 119.26 120.39 1sdk h ALA 62 Ca 0.36 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1sdk h ALA 62 Cb -0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1sdk h ALA 62 CO -0.09 -0.23 -0.08 1.25 0.00 0.00 0.00 179.25 180.10 1sdk h HIS 63 N -0.17 0.55 -0.24 0.00 -0.00 -0.86 -2.91 115.15 111.52 1sdk h HIS 63 Ca 0.02 -0.07 0.06 0.00 -0.00 0.00 0.00 60.37 60.38 1sdk h HIS 63 Cb 0.34 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.59 1sdk h HIS 63 CO 0.03 0.59 0.17 0.78 -0.00 0.00 0.00 177.93 179.50 1sdk h GLY 64 N 0.89 0.05 1.14 5.26 0.00 -0.47 -2.24 103.07 107.70 1sdk h GLY 64 Ca 0.10 -0.02 -0.12 0.00 0.00 0.00 0.00 47.33 47.29 1sdk h GLY 64 CO 0.02 0.01 -0.15 1.70 0.00 0.00 0.00 176.54 178.13 1sdk h LYS 65 N 0.04 1.00 -0.23 4.80 3.64 -1.32 0.17 116.57 124.68 1sdk h LYS 65 Ca 0.11 -0.39 -0.17 0.00 -1.27 0.00 0.00 60.65 58.93 1sdk h LYS 65 Cb 0.40 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1sdk h LYS 65 CO -0.01 1.07 -0.53 0.87 -2.27 0.00 0.00 179.45 178.58 1sdk h LYS 66 N 0.88 0.76 -0.50 1.90 1.57 -1.50 0.13 116.57 119.82 1sdk h LYS 66 Ca 0.13 -0.52 -0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1sdk h LYS 66 Cb 0.72 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 1sdk h LYS 66 CO 0.05 1.14 0.30 0.28 -0.57 0.00 0.00 179.45 180.66 1sdk h VAL 67 N 0.50 1.15 -0.00 0.50 2.07 -1.12 -1.59 116.25 117.75 1sdk h VAL 67 Ca -0.00 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 1sdk h VAL 67 Cb 1.15 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1sdk h VAL 67 CO 0.12 0.15 -0.27 0.25 0.02 0.00 0.00 177.57 177.84 1sdk h LEU 68 N 0.66 0.01 -0.99 2.57 7.12 -0.25 -2.17 115.31 122.26 1sdk h LEU 68 Ca 0.18 -0.00 0.03 0.00 0.13 0.00 0.00 57.88 58.22 1sdk h LEU 68 Cb -0.02 -0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 40.05 1sdk h LEU 68 CO -0.03 0.27 0.65 1.23 -0.13 0.00 0.00 178.44 180.42 1sdk h GLY 69 N 0.81 1.43 1.18 3.75 0.00 0.18 -0.64 103.07 109.78 1sdk h GLY 69 Ca -0.00 -0.49 -0.13 0.00 0.00 0.00 0.00 47.33 46.70 1sdk h GLY 69 CO 0.03 0.43 -0.24 0.00 0.00 0.00 0.00 176.54 176.77 1sdk h ALA 70 N 1.40 0.73 0.11 3.60 0.00 -0.74 -1.80 119.26 122.55 1sdk h ALA 70 Ca 0.39 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1sdk h ALA 70 Cb -0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1sdk h ALA 70 CO -0.12 0.67 -0.14 0.74 0.00 0.00 0.00 179.25 180.39 1sdk h PHE 71 N 0.80 -0.37 -0.98 0.00 0.04 -1.03 -1.89 116.94 113.52 1sdk h PHE 71 Ca 0.10 0.00 0.25 0.00 2.80 0.00 0.00 57.97 61.12 1sdk h PHE 71 Cb 0.80 0.15 -0.13 0.00 2.20 0.00 0.00 35.95 38.98 1sdk h PHE 71 CO 0.05 -0.22 0.54 0.77 -0.60 0.00 0.00 178.31 178.85 1sdk h SER 72 N -0.30 0.57 -0.27 2.17 0.02 -0.81 0.07 113.55 115.00 1sdk h SER 72 Ca 0.01 0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 1sdk h SER 72 Cb 0.30 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1sdk h SER 72 CO -0.06 0.06 0.13 0.44 -1.14 0.00 0.00 176.83 176.25 1sdk h ASP 73 N 0.51 0.35 -0.93 3.07 5.19 -0.73 -2.03 116.42 121.86 1sdk h ASP 73 Ca 0.63 -0.12 -0.00 0.00 -0.62 0.00 0.00 57.03 56.92 1sdk h ASP 73 Cb 1.22 -0.09 -0.05 0.00 0.18 0.00 0.00 39.33 40.60 1sdk h ASP 73 CO -0.50 0.37 0.57 1.23 -3.12 0.00 0.00 179.24 177.79 1sdk h GLY 74 N 0.30 1.34 1.56 2.75 0.00 -0.32 -1.46 103.07 107.24 1sdk h GLY 74 Ca 0.09 -0.55 0.03 0.00 0.00 0.00 0.00 47.33 46.90 1sdk h GLY 74 CO -0.01 0.53 0.24 1.41 0.00 0.00 0.00 176.54 178.71 1sdk h LEU 75 N 1.28 0.32 -0.02 3.11 3.38 -0.51 0.06 115.31 122.93 1sdk h LEU 75 Ca 0.33 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1sdk h LEU 75 Cb -0.07 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1sdk h LEU 75 CO -0.06 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.69 1sdk n ALA 76 N -2.51 2.27 -2.58 1.53 0.00 -0.79 -3.99 120.51 114.45 1sdk n ALA 76 Ca 0.03 -0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1sdk n ALA 76 Cb 0.15 -1.47 0.02 0.00 0.00 0.00 0.00 19.45 18.16 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 -2.13 1.93 -0.08 0.00 8.25 -0.05 -4.93 115.22 118.21 1sdk n HIS 77 Ca 0.06 -2.71 0.25 0.00 -0.26 0.00 0.00 57.72 55.06 1sdk n HIS 77 Cb 0.41 -0.27 0.72 0.00 1.12 0.00 0.00 29.99 31.97 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 2.74 0.00 -0.70 2.41 3.38 -1.54 0.15 115.31 121.75 1sdk h LEU 78 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1sdk h LEU 78 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1sdk h LEU 78 CO 0.56 0.00 -0.08 -0.90 0.09 0.00 0.00 178.44 178.12 1sdk n ASP 79 N -4.04 1.17 -2.70 -0.43 5.75 -1.26 -3.99 116.55 111.04 1sdk n ASP 79 Ca 0.15 -1.22 -0.06 0.00 -0.01 0.00 0.00 54.79 53.65 1sdk n ASP 79 Cb 0.86 0.03 0.06 0.00 -1.03 0.00 0.00 41.12 41.04 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 -0.24 0.55 -0.23 -1.12 5.15 0.51 -4.90 115.26 114.98 1sdk n ASN 80 Ca 0.17 -2.49 0.04 0.00 -0.60 0.00 0.00 54.58 51.69 1sdk n ASN 80 Cb 0.33 -0.11 0.15 0.00 -0.53 0.00 0.00 39.78 39.62 1sdk n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1sdk h LEU 81 N 2.57 -0.10 -0.19 1.20 4.07 -1.62 0.36 115.31 121.60 1sdk h LEU 81 Ca -0.17 0.15 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1sdk h LEU 81 Cb 1.23 0.22 -0.01 0.00 1.08 0.00 0.00 40.66 43.18 1sdk h LEU 81 CO 0.27 -0.06 0.12 0.50 -1.08 0.00 0.00 178.44 178.19 1sdk h LYS 82 N 0.21 0.25 0.00 1.13 3.64 -1.90 0.13 116.57 120.02 1sdk h LYS 82 Ca 0.37 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.66 1sdk h LYS 82 Cb 0.62 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1sdk h LYS 82 CO -0.51 0.18 -0.39 0.78 -2.27 0.00 0.00 179.45 177.23 1sdk h GLY 83 N 0.24 0.00 1.58 5.01 0.00 -1.57 -2.56 103.07 105.77 1sdk h GLY 83 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.28 1sdk h GLY 83 CO -0.01 0.00 -0.37 -0.84 0.00 0.00 0.00 176.54 175.31 1sdk h THR 84 N 0.00 1.30 -0.43 4.70 2.02 0.57 -3.22 112.91 117.84 1sdk h THR 84 Ca -0.00 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 65.67 1sdk h THR 84 Cb 0.80 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 1sdk h THR 84 CO 0.05 0.47 0.00 0.49 0.37 0.00 0.00 175.52 176.90 1sdk n PHE 85 N -4.04 0.57 -0.21 3.16 3.72 -0.12 -4.62 117.46 115.92 1sdk n PHE 85 Ca -0.01 -0.42 0.01 0.00 -0.05 0.00 0.00 57.45 56.98 1sdk n PHE 85 Cb 0.49 -0.01 0.12 0.00 -0.94 0.00 0.00 39.48 39.13 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 3.05 0.72 -0.10 4.37 0.00 -1.47 0.27 119.26 126.10 1sdk h ALA 86 Ca 0.00 0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.87 1sdk h ALA 86 Cb 0.82 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1sdk h ALA 86 CO 0.00 -0.33 -0.73 1.79 0.00 0.00 0.00 179.25 179.97 1sdk h THR 87 N 0.22 1.36 -0.44 0.00 1.35 -1.84 -1.75 112.91 111.82 1sdk h THR 87 Ca 0.33 -2.10 -0.07 0.00 -0.55 0.00 0.00 66.41 64.03 1sdk h THR 87 Cb 0.52 2.08 -0.02 0.00 -1.73 0.00 0.00 68.15 68.99 1sdk h THR 87 CO -0.45 0.64 -0.00 -0.07 -0.25 0.00 0.00 175.52 175.39 1sdk h LEU 88 N 0.33 0.68 -0.55 3.87 4.07 -1.75 -0.71 115.31 121.25 1sdk h LEU 88 Ca -0.03 -0.15 -0.04 0.00 0.08 0.00 0.00 57.88 57.73 1sdk h LEU 88 Cb 1.32 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.85 1sdk h LEU 88 CO 0.13 0.75 0.17 -1.28 -1.08 0.00 0.00 178.44 177.13 1sdk h SER 89 N 0.67 0.80 -0.23 -0.43 0.87 -0.17 0.23 113.55 115.29 1sdk h SER 89 Ca 0.13 -0.21 -0.05 0.00 -1.23 0.00 0.00 61.79 60.44 1sdk h SER 89 Cb 0.42 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1sdk h SER 89 CO 0.02 0.80 -0.04 -0.08 -0.53 0.00 0.00 176.83 177.00 1sdk h GLU 90 N 0.77 0.43 -0.46 2.24 4.81 -0.71 -1.93 114.58 119.73 1sdk h GLU 90 Ca 0.18 -0.16 0.06 0.00 -0.13 0.00 0.00 59.36 59.32 1sdk h GLU 90 Cb 0.28 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.57 1sdk h GLU 90 CO -0.01 0.65 0.14 1.25 -0.73 0.00 0.00 179.01 180.32 1sdk h LEU 91 N 0.17 0.12 -1.27 1.64 5.85 -0.92 0.35 115.31 121.26 1sdk h LEU 91 Ca 0.06 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 1sdk h LEU 91 Cb 0.48 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1sdk h LEU 91 CO 0.02 0.10 -0.30 0.45 -0.34 0.00 0.00 178.44 178.37 1sdk h HIS 92 N 0.30 0.12 0.00 1.25 3.86 -0.77 -1.16 115.15 118.75 1sdk h HIS 92 Ca 0.22 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 1sdk h HIS 92 Cb 0.24 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1sdk h HIS 92 CO -0.17 0.40 -0.29 0.00 0.86 0.00 0.00 177.93 178.72 1sdk h ASP 94 N -0.93 0.80 0.05 0.00 3.32 -0.39 -2.71 116.42 116.56 1sdk h ASP 94 Ca 0.00 -0.42 -0.38 0.00 0.02 0.00 0.00 57.03 56.25 1sdk h ASP 94 Cb 0.29 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.57 1sdk h ASP 94 CO 0.00 1.17 -2.26 0.29 -1.72 0.00 0.00 179.24 176.72 1sdk n LYS 95 N -3.99 0.68 0.00 3.56 4.01 -0.77 -4.65 118.16 117.00 1sdk n LYS 95 Ca -0.03 0.21 0.05 0.00 -0.51 0.00 0.00 58.31 58.03 1sdk n LYS 95 Cb 0.60 -1.60 -0.12 0.00 -0.51 0.00 0.00 35.03 33.41 1sdk n LYS 95 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1sdk n LEU 96 N -3.44 0.34 -3.34 -0.35 4.77 -0.51 -5.00 117.00 109.47 1sdk n LEU 96 Ca -0.41 0.14 -0.19 0.00 -0.03 0.00 0.00 56.01 55.52 1sdk n LEU 96 Cb 0.99 0.10 0.08 0.00 -2.33 0.00 0.00 43.42 42.26 1sdk n LEU 96 CO 0.31 0.09 0.17 1.41 -1.33 0.00 0.00 177.39 178.03 1sdk n HIS 97 N -2.56 -2.37 -3.00 -1.77 8.25 -0.06 -4.97 115.22 108.74 1sdk n HIS 97 Ca -0.10 0.92 -0.40 0.00 -0.26 0.00 0.00 57.72 57.88 1sdk n HIS 97 Cb 0.74 -4.85 -0.05 0.00 1.12 0.00 0.00 29.99 26.95 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 -3.32 4.95 0.20 1.59 1.01 -0.74 -5.01 120.40 119.08 1sdk s VAL 98 Ca 0.27 1.55 -0.30 0.00 0.00 0.00 0.00 61.98 63.49 1sdk s VAL 98 Cb -0.12 -4.08 -0.09 0.00 0.00 0.00 0.00 36.38 32.09 1sdk s VAL 98 CO 0.68 0.28 1.31 -0.62 0.00 0.00 0.00 175.10 176.75 1sdk s ASP 99 N 0.58 6.89 0.18 3.32 -1.08 -1.26 -4.78 116.67 120.51 1sdk s ASP 99 Ca 0.39 2.41 0.14 0.00 -0.52 0.00 0.00 52.55 54.97 1sdk s ASP 99 Cb -0.19 -2.61 0.70 0.00 -1.46 0.00 0.00 42.92 39.36 1sdk s ASP 99 CO 0.20 -0.53 1.42 -2.65 0.52 0.00 0.00 175.17 174.13 1sdk n PRO 100 N 2.57 0.09 0.24 4.34 -0.02 -1.26 -1.50 135.00 139.46 1sdk n PRO 100 Ca 0.06 0.54 0.08 0.00 -2.02 0.00 0.00 63.50 62.16 1sdk n PRO 100 Cb 0.43 -1.76 0.59 0.00 -0.02 0.00 0.00 33.50 32.74 1sdk n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1sdk h GLU 101 N 0.00 0.00 0.00 -0.52 4.57 -1.99 -1.73 114.58 114.91 1sdk h GLU 101 Ca 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1sdk h GLU 101 Cb 0.05 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1sdk h GLU 101 CO 0.00 0.17 -0.01 -0.91 -1.18 0.00 0.00 179.01 177.08 1sdk h ASN 102 N 0.00 0.00 0.18 1.04 4.21 -1.65 -2.35 115.58 117.02 1sdk h ASN 102 Ca -0.00 0.00 -0.17 0.00 1.21 0.00 0.00 56.30 57.33 1sdk h ASN 102 Cb 0.34 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.53 1sdk h ASN 102 CO 0.02 0.01 -0.66 -0.26 -1.29 0.00 0.00 177.43 175.25 1sdk h PHE 103 N 0.00 0.59 -0.38 1.19 0.04 -1.48 -0.43 116.94 116.48 1sdk h PHE 103 Ca -0.00 -0.24 -0.08 0.00 2.80 0.00 0.00 57.97 60.45 1sdk h PHE 103 Cb 0.55 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 1sdk h PHE 103 CO 0.00 0.98 -0.06 0.00 -0.60 0.00 0.00 178.31 178.63 1sdk h ARG 104 N 0.32 0.72 -0.86 1.51 3.08 -1.49 -1.48 114.38 116.18 1sdk h ARG 104 Ca -0.02 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 59.74 1sdk h ARG 104 Cb 1.22 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 31.18 1sdk h ARG 104 CO 0.12 0.85 0.43 -0.07 -1.07 0.00 0.00 179.97 180.23 1sdk h LEU 105 N 0.53 1.11 -0.61 3.04 3.38 -1.30 0.13 115.31 121.59 1sdk h LEU 105 Ca 0.10 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 1sdk h LEU 105 Cb 0.57 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1sdk h LEU 105 CO 0.03 0.93 0.08 0.25 0.09 0.00 0.00 178.44 179.82 1sdk h LEU 106 N 1.22 0.98 -0.66 1.67 5.85 -0.89 0.16 115.31 123.64 1sdk h LEU 106 Ca 0.30 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1sdk h LEU 106 Cb 0.10 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 1sdk h LEU 106 CO -0.04 1.01 0.34 1.23 -0.34 0.00 0.00 178.44 180.64 1sdk h GLY 107 N 0.93 1.00 1.63 3.75 0.00 -0.94 0.23 103.07 109.67 1sdk h GLY 107 Ca 0.18 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 46.94 1sdk h GLY 107 CO 0.02 0.45 -0.30 3.43 0.00 0.00 0.00 176.54 180.14 1sdk h ASN 108 N 0.90 0.43 -0.51 0.19 -0.26 -0.65 -1.61 115.58 114.07 1sdk h ASN 108 Ca 0.23 -0.15 -0.09 0.00 -0.56 0.00 0.00 56.30 55.72 1sdk h ASN 108 Cb 0.08 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.20 1sdk h ASN 108 CO -0.03 0.72 -0.02 0.58 -1.06 0.00 0.00 177.43 177.61 1sdk h VAL 109 N 0.37 1.26 -1.01 2.81 2.07 -0.18 -2.06 116.25 119.51 1sdk h VAL 109 Ca 0.05 -1.12 0.02 0.00 0.82 0.00 0.00 66.70 66.46 1sdk h VAL 109 Cb 0.71 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 1sdk h VAL 109 CO 0.05 0.40 0.67 0.25 0.02 0.00 0.00 177.57 178.96 1sdk h LEU 110 N 0.87 1.14 -0.51 2.57 5.85 0.12 0.17 115.31 125.53 1sdk h LEU 110 Ca 0.16 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1sdk h LEU 110 Cb 0.54 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1sdk h LEU 110 CO 0.03 0.82 0.24 0.58 -0.34 0.00 0.00 178.44 179.77 1sdk h VAL 111 N 1.34 1.19 -0.82 1.05 2.07 -0.79 -0.29 116.25 120.01 1sdk h VAL 111 Ca 0.38 -0.55 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 1sdk h VAL 111 Cb -0.12 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 1sdk h VAL 111 CO -0.09 0.22 0.36 0.00 0.02 0.00 0.00 177.57 178.07 1sdk h VAL 113 N 1.19 1.26 -0.56 0.00 2.07 0.03 -0.25 116.25 119.99 1sdk h VAL 113 Ca 0.28 -1.06 -0.08 0.00 0.82 0.00 0.00 66.70 66.65 1sdk h VAL 113 Cb 0.18 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1sdk h VAL 113 CO -0.03 0.38 0.02 -0.07 0.02 0.00 0.00 177.57 177.89 1sdk h LEU 114 N 0.88 0.92 -0.57 2.57 3.38 -0.69 -1.77 115.31 120.02 1sdk h LEU 114 Ca 0.17 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1sdk h LEU 114 Cb 0.48 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1sdk h LEU 114 CO 0.02 0.97 0.26 0.00 0.09 0.00 0.00 178.44 179.78 1sdk h ALA 115 N 1.13 0.74 -0.66 1.53 0.00 -1.03 0.11 119.26 121.08 1sdk h ALA 115 Ca 0.17 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1sdk h ALA 115 Cb 0.49 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1sdk h ALA 115 CO 0.02 0.32 0.40 1.25 0.00 0.00 0.00 179.25 181.24 1sdk h HIS 116 N 0.78 0.74 0.01 0.00 6.17 -0.73 -0.65 115.15 121.47 1sdk h HIS 116 Ca 0.20 0.02 -0.22 0.00 0.71 0.00 0.00 60.37 61.08 1sdk h HIS 116 Cb 0.14 -0.24 0.02 0.00 2.52 0.00 0.00 27.41 29.85 1sdk h HIS 116 CO 0.00 0.40 -0.87 0.45 0.71 0.00 0.00 177.93 178.63 1sdk h HIS 117 N 0.77 0.86 -0.02 5.26 -0.00 -1.19 -3.37 115.15 117.46 1sdk h HIS 117 Ca 0.28 -0.47 0.00 0.00 -0.00 0.00 0.00 60.37 60.17 1sdk h HIS 117 Cb 0.07 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.39 1sdk h HIS 117 CO -0.06 1.30 -0.31 1.19 -0.00 0.00 0.00 177.93 180.06 1sdk n PHE 118 N -4.01 0.00 -1.10 2.45 3.72 0.37 -5.04 117.46 113.85 1sdk n PHE 118 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1sdk n PHE 118 Cb 0.80 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.31 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 2.42 0.30 1.37 0.00 -0.26 -1.10 105.19 109.30 1sdk n GLY 119 Ca 0.12 -0.19 0.18 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.96 0.46 116.57 123.24 1sdk h LYS 120 Ca 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.57 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 -0.09 0.93 -2.06 0.00 0.00 179.45 178.23 1sdk h GLU 121 N 0.00 0.00 -3.57 3.15 5.08 -1.51 -3.30 114.58 114.43 1sdk h GLU 121 Ca 0.00 0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.63 1sdk h GLU 121 Cb 0.21 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.37 1sdk h GLU 121 CO 0.00 0.09 2.68 0.34 -1.00 0.00 0.00 179.01 181.11 1sdk n PHE 122 N -3.23 3.09 -1.03 4.33 7.35 0.16 -4.96 117.46 123.17 1sdk n PHE 122 Ca 0.00 -2.89 -0.29 0.00 -0.76 0.00 0.00 57.45 53.50 1sdk n PHE 122 Cb 0.34 -2.23 0.17 0.00 0.35 0.00 0.00 39.48 38.11 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 1.52 2.38 0.21 -2.13 -4.23 -1.25 -4.63 115.64 107.51 1sdk s THR 123 Ca 0.47 0.12 -0.10 0.00 -1.18 0.00 0.00 61.69 61.00 1sdk s THR 123 Cb 0.13 -2.49 0.14 0.00 1.34 0.00 0.00 72.50 71.62 1sdk s THR 123 CO -0.05 -0.16 1.75 -0.65 -0.54 0.00 0.00 174.62 174.98 1sdk h PRO 124 N -1.85 0.43 0.00 3.99 0.11 -1.94 0.41 132.00 133.15 1sdk h PRO 124 Ca -0.52 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.47 1sdk h PRO 124 Cb 1.30 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1sdk h PRO 124 CO 0.53 0.28 -0.46 -1.35 -0.21 0.00 0.00 178.00 176.79 1sdk h PRO 125 N 0.44 0.00 -0.15 1.05 0.11 -1.99 -0.67 132.00 130.80 1sdk h PRO 125 Ca 0.30 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.26 1sdk h PRO 125 Cb 0.35 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.46 1sdk h PRO 125 CO -0.28 0.46 -0.50 0.28 -0.21 0.00 0.00 178.00 177.75 1sdk h VAL 126 N 0.00 1.34 -0.88 3.15 2.07 -1.57 -1.91 116.25 118.45 1sdk h VAL 126 Ca -0.00 -1.77 0.08 0.00 0.82 0.00 0.00 66.70 65.83 1sdk h VAL 126 Cb 0.88 2.03 -0.07 0.00 -1.52 0.00 0.00 31.29 32.61 1sdk h VAL 126 CO 0.06 0.54 0.53 -0.61 0.02 0.00 0.00 177.57 178.12 1sdk h GLN 127 N 0.26 0.90 -0.72 1.57 4.15 -0.01 0.23 115.11 121.49 1sdk h GLN 127 Ca -0.02 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.32 1sdk h GLN 127 Cb 1.13 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 28.58 1sdk h GLN 127 CO 0.11 0.59 0.36 0.00 -1.93 0.00 0.00 178.83 177.96 1sdk h ALA 128 N 1.44 1.28 -0.22 3.38 0.00 -0.82 0.13 119.26 124.46 1sdk h ALA 128 Ca 0.40 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.99 1sdk h ALA 128 Cb 0.28 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1sdk h ALA 128 CO -0.21 0.56 -0.61 0.00 0.00 0.00 0.00 179.25 178.99 1sdk h ALA 129 N 1.38 0.49 0.00 0.00 0.00 -0.38 -2.84 119.26 117.92 1sdk h ALA 129 Ca 0.25 -0.54 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1sdk h ALA 129 Cb 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1sdk h ALA 129 CO -0.03 0.69 -0.29 1.88 0.00 0.00 0.00 179.25 181.50 1sdk h TYR 130 N 0.57 0.00 -0.90 0.00 0.05 0.21 -1.98 116.97 114.92 1sdk h TYR 130 Ca -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 1sdk h TYR 130 Cb 1.21 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.91 1sdk h TYR 130 CO 0.07 0.29 0.51 1.96 -1.05 0.00 0.00 178.16 179.94 1sdk h GLN 131 N 0.00 1.24 -0.42 4.88 1.08 -0.63 0.16 115.11 121.42 1sdk h GLN 131 Ca -0.00 -0.13 -0.13 0.00 -1.45 0.00 0.00 58.65 56.93 1sdk h GLN 131 Cb 0.57 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 1sdk h GLN 131 CO 0.04 0.89 -0.26 0.87 -0.95 0.00 0.00 178.83 179.42 1sdk h LYS 132 N 1.25 0.88 0.09 1.46 1.57 -1.14 -1.89 116.57 118.79 1sdk h LYS 132 Ca 0.32 -0.39 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1sdk h LYS 132 Cb -0.01 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1sdk h LYS 132 CO -0.05 1.03 -0.04 0.28 -0.57 0.00 0.00 179.45 180.10 1sdk h VAL 133 N 0.75 1.03 -0.59 0.50 2.07 -0.91 -2.05 116.25 117.06 1sdk h VAL 133 Ca 0.09 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 1sdk h VAL 133 Cb 0.82 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 1sdk h VAL 133 CO 0.07 0.11 0.28 -0.37 0.02 0.00 0.00 177.57 177.67 1sdk h VAL 134 N -0.31 1.20 -0.14 2.57 -1.51 -0.61 0.18 116.25 117.62 1sdk h VAL 134 Ca -0.01 -0.57 -0.13 0.00 -1.23 0.00 0.00 66.70 64.76 1sdk h VAL 134 Cb 0.26 0.45 -0.01 0.00 -2.13 0.00 0.00 31.29 29.86 1sdk h VAL 134 CO 0.02 0.23 -0.47 0.00 -1.23 0.00 0.00 177.57 176.13 1sdk h ALA 135 N 1.47 0.93 -0.71 5.19 0.00 -1.30 -1.93 119.26 122.92 1sdk h ALA 135 Ca 0.21 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1sdk h ALA 135 Cb 0.10 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1sdk h ALA 135 CO -0.03 0.65 0.20 0.78 0.00 0.00 0.00 179.25 180.85 1sdk h GLY 136 N 1.22 1.20 0.95 0.00 0.00 -0.42 -0.35 103.07 105.66 1sdk h GLY 136 Ca 0.02 -0.73 -0.07 0.00 0.00 0.00 0.00 47.33 46.55 1sdk h GLY 136 CO 0.08 0.68 -0.01 -2.08 0.00 0.00 0.00 176.54 175.21 1sdk h VAL 137 N 1.05 1.26 -0.77 4.60 2.07 -0.80 -0.44 116.25 123.22 1sdk h VAL 137 Ca 0.23 -1.03 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 1sdk h VAL 137 Cb 0.33 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1sdk h VAL 137 CO -0.00 0.35 0.31 0.00 0.02 0.00 0.00 177.57 178.24 1sdk h ALA 138 N 0.88 1.09 0.12 1.67 0.00 -1.12 0.26 119.26 122.17 1sdk h ALA 138 Ca 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1sdk h ALA 138 Cb 0.49 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1sdk h ALA 138 CO 0.02 0.65 -0.06 -0.91 0.00 0.00 0.00 179.25 178.95 1sdk h ASN 139 N 1.12 -0.14 -0.95 0.00 2.35 -0.92 -1.11 115.58 115.93 1sdk h ASN 139 Ca 0.26 -0.10 0.01 0.00 -0.55 0.00 0.00 56.30 55.92 1sdk h ASN 139 Cb 0.21 0.04 -0.05 0.00 0.05 0.00 0.00 38.32 38.57 1sdk h ASN 139 CO -0.02 0.01 0.63 0.00 -1.65 0.00 0.00 177.43 176.40 1sdk h ALA 140 N 0.58 1.21 0.00 -0.83 0.00 -0.75 -0.96 119.26 118.50 1sdk h ALA 140 Ca -0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1sdk h ALA 140 Cb 0.23 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1sdk h ALA 140 CO 0.03 0.60 -0.09 -0.07 0.00 0.00 0.00 179.25 179.72 1sdk h LEU 141 N 1.29 0.00 -0.36 0.00 3.38 -0.07 -2.50 115.31 117.04 1sdk h LEU 141 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1sdk h LEU 141 Cb -0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1sdk h LEU 141 CO -0.08 0.09 -0.11 0.00 0.09 0.00 0.00 178.44 178.43 1sdk n ALA 142 N -2.22 2.79 -0.18 1.53 0.00 -0.38 -4.51 120.51 117.53 1sdk n ALA 142 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1sdk n ALA 142 Cb 0.23 -1.29 0.25 0.00 0.00 0.00 0.00 19.45 18.64 1sdk n ALA 142 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1sdk h HIS 143 N 0.89 0.89 -0.11 0.00 2.07 -1.23 -2.69 115.15 114.96 1sdk h HIS 143 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1sdk h HIS 143 Cb 0.37 -0.30 0.00 0.00 2.57 0.00 0.00 27.41 30.06 1sdk h HIS 143 CO 0.00 0.60 0.00 1.63 -3.07 0.00 0.00 177.93 177.09 1sdk n LYS 144 N -4.40 1.66 0.00 5.12 4.76 -1.26 -3.66 118.16 120.37 1sdk n LYS 144 Ca 0.07 -0.57 0.11 0.00 -2.87 0.00 0.00 58.31 55.05 1sdk n LYS 144 Cb 0.07 -1.55 0.03 0.00 -1.84 0.00 0.00 35.03 31.74 1sdk n LYS 144 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1sdk n TYR 145 N 0.08 0.00 0.00 2.13 4.02 -1.02 -4.88 117.16 117.50 1sdk n TYR 145 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 1sdk n TYR 145 Cb 0.37 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.65 1sdk n TYR 145 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 176.86 173.46