#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dn3 n HIS 2 N 0.00 3.69 -3.56 1.45 1.44 -1.26 -4.92 115.22 112.06 2dn3 n HIS 2 Ca 0.00 -3.76 -0.37 0.00 -2.01 0.00 0.00 57.72 51.57 2dn3 n HIS 2 Cb 0.00 -1.06 -0.06 0.00 0.12 0.00 0.00 29.99 28.98 2dn3 n HIS 2 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2dn3 s LEU 3 N -1.96 4.36 0.74 2.39 1.02 -1.26 -5.08 118.68 118.88 2dn3 s LEU 3 Ca 0.31 0.70 -0.11 0.00 0.02 0.00 0.00 54.13 55.06 2dn3 s LEU 3 Cb 0.01 -2.44 0.04 0.00 0.02 0.00 0.00 46.19 43.82 2dn3 s LEU 3 CO -0.04 0.22 1.08 0.42 0.02 0.00 0.00 176.35 178.05 2dn3 s THR 4 N -0.33 3.61 0.27 5.49 -4.23 -1.26 -4.78 115.64 114.41 2dn3 s THR 4 Ca 0.20 0.52 0.01 0.00 -1.18 0.00 0.00 61.69 61.24 2dn3 s THR 4 Cb -0.14 -3.14 0.26 0.00 1.34 0.00 0.00 72.50 70.82 2dn3 s THR 4 CO 0.08 -0.68 1.80 -0.65 -0.54 0.00 0.00 174.62 174.63 2dn3 h PRO 5 N -0.95 0.81 -0.42 3.99 0.11 -1.98 0.15 132.00 133.70 2dn3 h PRO 5 Ca -0.44 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 2dn3 h PRO 5 Cb 1.23 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 2dn3 h PRO 5 CO 0.54 0.53 -0.06 0.93 -0.21 0.00 0.00 178.00 179.74 2dn3 h GLU 6 N 0.83 0.71 -0.53 1.05 5.08 -2.00 -0.65 114.58 119.08 2dn3 h GLU 6 Ca 0.49 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 58.53 2dn3 h GLU 6 Cb 0.58 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2dn3 h GLU 6 CO -0.31 0.76 -0.13 0.93 -1.00 0.00 0.00 179.01 179.27 2dn3 h GLU 7 N 0.66 1.01 -0.72 2.33 5.08 -1.57 -2.10 114.58 119.27 2dn3 h GLU 7 Ca 0.12 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 2dn3 h GLU 7 Cb 0.49 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 2dn3 h GLU 7 CO 0.03 1.06 0.37 0.87 -1.00 0.00 0.00 179.01 180.34 2dn3 h LYS 8 N 0.89 1.01 -0.32 2.33 1.57 -0.41 0.28 116.57 121.91 2dn3 h LYS 8 Ca 0.13 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2dn3 h LYS 8 Cb 0.69 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2dn3 h LYS 8 CO 0.05 0.76 0.08 1.03 -0.57 0.00 0.00 179.45 180.80 2dn3 h SER 9 N 1.01 0.49 -0.29 0.86 0.87 -0.93 0.80 113.55 116.35 2dn3 h SER 9 Ca 0.25 -0.23 0.01 0.00 -1.23 0.00 0.00 61.79 60.59 2dn3 h SER 9 Cb 0.06 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 2dn3 h SER 9 CO -0.04 0.59 0.16 0.00 -0.53 0.00 0.00 176.83 177.01 2dn3 h ALA 10 N 0.91 0.36 -0.28 6.23 0.00 -0.98 -0.11 119.26 125.39 2dn3 h ALA 10 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2dn3 h ALA 10 Cb 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2dn3 h ALA 10 CO 0.00 -0.22 0.09 0.28 0.00 0.00 0.00 179.25 179.40 2dn3 h VAL 11 N 0.33 1.20 0.00 0.00 2.07 -0.21 -2.76 116.25 116.88 2dn3 h VAL 11 Ca 0.12 -0.63 -0.16 0.00 0.82 0.00 0.00 66.70 66.84 2dn3 h VAL 11 Cb 0.02 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 2dn3 h VAL 11 CO -0.07 0.21 -0.77 0.71 0.02 0.00 0.00 177.57 177.67 2dn3 h THR 12 N 0.29 1.37 -0.80 2.57 1.35 -0.72 -1.43 112.91 115.53 2dn3 h THR 12 Ca 0.09 -2.82 -0.05 0.00 -0.55 0.00 0.00 66.41 63.08 2dn3 h THR 12 Cb 0.24 2.60 -0.04 0.00 -1.73 0.00 0.00 68.15 69.23 2dn3 h THR 12 CO -0.00 0.76 0.32 0.00 -0.25 0.00 0.00 175.52 176.34 2dn3 h ALA 13 N 1.23 1.05 -0.28 6.62 0.00 -0.99 -1.83 119.26 125.05 2dn3 h ALA 13 Ca -0.01 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.53 2dn3 h ALA 13 Cb 1.54 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2dn3 h ALA 13 CO 0.10 0.67 -0.51 1.25 0.00 0.00 0.00 179.25 180.77 2dn3 h LEU 14 N 1.17 0.94 -1.77 0.00 5.85 -1.31 -3.17 115.31 117.02 2dn3 h LEU 14 Ca 0.27 -0.53 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 2dn3 h LEU 14 Cb 0.22 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 2dn3 h LEU 14 CO -0.02 1.29 -0.08 -0.25 -0.34 0.00 0.00 178.44 179.04 2dn3 h TRP 15 N 0.62 0.04 0.00 1.25 2.91 -0.94 -0.14 115.95 119.69 2dn3 h TRP 15 Ca 0.02 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.04 2dn3 h TRP 15 Cb 1.11 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.75 2dn3 h TRP 15 CO 0.08 0.12 0.00 0.78 -1.03 0.00 0.00 178.44 178.39 2dn3 h GLY 16 N 0.33 0.00 -0.67 2.65 0.00 -1.31 -1.94 103.07 102.13 2dn3 h GLY 16 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2dn3 h GLY 16 CO 0.01 0.00 -0.45 0.28 0.00 0.00 0.00 176.54 176.38 2dn3 n LYS 17 N -2.60 1.07 -2.27 4.80 5.02 -0.07 -4.96 118.16 119.15 2dn3 n LYS 17 Ca -0.00 -0.84 -0.41 0.00 -2.02 0.00 0.00 58.31 55.03 2dn3 n LYS 17 Cb 0.16 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.65 2dn3 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2dn3 s VAL 18 N -2.51 3.36 -0.53 -0.18 1.01 -0.73 -4.97 120.40 115.85 2dn3 s VAL 18 Ca 0.19 1.10 -0.29 0.00 0.00 0.00 0.00 61.98 62.99 2dn3 s VAL 18 Cb 0.18 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.89 2dn3 s VAL 18 CO 0.57 0.16 1.21 0.21 0.00 0.00 0.00 175.10 177.25 2dn3 s ASN 19 N 0.39 6.48 0.01 3.32 3.84 -1.26 -4.88 114.94 122.83 2dn3 s ASN 19 Ca 0.56 0.32 0.22 0.00 0.21 0.00 0.00 52.86 54.18 2dn3 s ASN 19 Cb -0.35 -2.55 0.94 0.00 -0.55 0.00 0.00 41.25 38.74 2dn3 s ASN 19 CO 0.37 -1.42 1.71 1.33 -2.79 0.00 0.00 177.10 176.30 2dn3 n VAL 20 N 6.80 0.48 0.58 -5.21 0.24 -1.26 -1.56 118.33 118.40 2dn3 n VAL 20 Ca 0.11 0.11 0.12 0.00 -2.04 0.00 0.00 64.34 62.64 2dn3 n VAL 20 Cb 0.49 -0.74 0.21 0.00 -1.47 0.00 0.00 33.84 32.33 2dn3 n VAL 20 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2dn3 n ASP 21 N -1.53 0.73 -0.01 -1.34 8.00 -1.26 -4.59 116.55 116.55 2dn3 n ASP 21 Ca 0.05 0.21 -0.01 0.00 0.71 0.00 0.00 54.79 55.75 2dn3 n ASP 21 Cb 0.26 -0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 41.34 2dn3 n ASP 21 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2dn3 n GLU 22 N -2.15 0.62 0.04 -1.24 1.02 -0.90 -4.75 120.64 113.28 2dn3 n GLU 22 Ca 0.04 0.01 -0.01 0.00 -0.02 0.00 0.00 57.16 57.17 2dn3 n GLU 22 Cb 0.44 -1.03 0.26 0.00 -0.02 0.00 0.00 31.44 31.10 2dn3 n GLU 22 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2dn3 h VAL 23 N 0.00 1.24 -0.40 2.62 2.07 -1.54 -1.82 116.25 118.42 2dn3 h VAL 23 Ca -0.03 -1.09 -0.13 0.00 0.82 0.00 0.00 66.70 66.27 2dn3 h VAL 23 Cb 1.05 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 2dn3 h VAL 23 CO -0.00 0.35 -0.26 1.23 0.02 0.00 0.00 177.57 178.90 2dn3 h GLY 24 N 0.95 0.90 1.72 2.17 0.00 -1.83 -0.60 103.07 106.38 2dn3 h GLY 24 Ca 0.06 -0.81 -0.07 0.00 0.00 0.00 0.00 47.33 46.52 2dn3 h GLY 24 CO 0.04 0.74 -0.17 -1.33 0.00 0.00 0.00 176.54 175.81 2dn3 h GLY 25 N 0.93 0.37 1.03 4.60 0.00 -1.62 0.35 103.07 108.73 2dn3 h GLY 25 Ca 0.09 -0.26 -0.12 0.00 0.00 0.00 0.00 47.33 47.05 2dn3 h GLY 25 CO 0.07 0.24 -0.21 -2.09 0.00 0.00 0.00 176.54 174.54 2dn3 h GLU 26 N 0.32 0.84 -0.19 4.80 4.57 -0.93 0.20 114.58 124.19 2dn3 h GLU 26 Ca 0.06 -0.38 -0.07 0.00 -1.18 0.00 0.00 59.36 57.80 2dn3 h GLU 26 Cb 0.49 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.06 2dn3 h GLU 26 CO 0.03 1.01 -0.14 0.00 -1.18 0.00 0.00 179.01 178.73 2dn3 h ALA 27 N 0.80 0.27 -0.61 2.92 0.00 -0.94 -1.32 119.26 120.38 2dn3 h ALA 27 Ca 0.08 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 2dn3 h ALA 27 Cb 0.78 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2dn3 h ALA 27 CO 0.06 0.15 0.19 1.25 0.00 0.00 0.00 179.25 180.90 2dn3 h LEU 28 N 0.10 0.89 -0.47 0.00 5.85 -0.88 -0.20 115.31 120.60 2dn3 h LEU 28 Ca 0.04 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2dn3 h LEU 28 Cb 0.66 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2dn3 h LEU 28 CO 0.04 0.86 0.25 1.23 -0.34 0.00 0.00 178.44 180.48 2dn3 h GLY 29 N 0.88 0.71 1.33 3.75 0.00 -0.97 -1.32 103.07 107.43 2dn3 h GLY 29 Ca 0.20 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 2dn3 h GLY 29 CO -0.01 0.31 0.08 3.21 0.00 0.00 0.00 176.54 180.13 2dn3 h ARG 30 N 0.62 0.83 -0.49 4.80 3.08 -0.97 -1.66 114.38 120.60 2dn3 h ARG 30 Ca 0.16 -0.19 0.06 0.00 0.07 0.00 0.00 59.98 60.08 2dn3 h ARG 30 Cb 0.06 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 29.95 2dn3 h ARG 30 CO -0.03 0.79 0.19 1.25 -1.07 0.00 0.00 179.97 181.10 2dn3 h LEU 31 N 0.79 0.21 -1.26 3.04 5.85 -0.34 0.10 115.31 123.70 2dn3 h LEU 31 Ca 0.17 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 2dn3 h LEU 31 Cb 0.37 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2dn3 h LEU 31 CO 0.01 0.15 -0.36 -0.07 -0.34 0.00 0.00 178.44 177.83 2dn3 h LEU 32 N 0.38 0.01 0.12 2.25 3.38 -0.71 -0.31 115.31 120.43 2dn3 h LEU 32 Ca 0.23 -0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.98 2dn3 h LEU 32 Cb 0.22 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.98 2dn3 h LEU 32 CO -0.22 0.38 -1.04 0.58 0.09 0.00 0.00 178.44 178.23 2dn3 h VAL 33 N 0.01 1.31 0.02 1.22 2.07 -0.96 -3.32 116.25 116.60 2dn3 h VAL 33 Ca -0.00 -2.46 -0.22 0.00 0.82 0.00 0.00 66.70 64.84 2dn3 h VAL 33 Cb 0.65 2.98 -0.01 0.00 -1.52 0.00 0.00 31.29 33.39 2dn3 h VAL 33 CO 0.05 0.69 -0.96 0.58 0.02 0.00 0.00 177.57 177.95 2dn3 h VAL 34 N -0.40 1.49 -2.48 2.57 2.07 -0.80 -3.38 116.25 115.33 2dn3 h VAL 34 Ca -0.21 -2.71 -0.60 0.00 0.82 0.00 0.00 66.70 64.01 2dn3 h VAL 34 Cb 1.65 2.56 -0.41 0.00 -1.52 0.00 0.00 31.29 33.56 2dn3 h VAL 34 CO 0.09 0.79 -0.71 -1.22 0.02 0.00 0.00 177.57 176.55 2dn3 n TYR 35 N -3.64 2.39 0.42 1.57 4.01 -0.13 -4.99 117.16 116.79 2dn3 n TYR 35 Ca -0.05 -4.02 0.10 0.00 -0.16 0.00 0.00 57.90 53.77 2dn3 n TYR 35 Cb 0.86 -0.45 0.44 0.00 -0.31 0.00 0.00 39.34 39.87 2dn3 n TYR 35 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2dn3 n PRO 36 N 1.53 0.14 0.30 -0.72 -0.05 -1.25 -0.92 135.00 134.03 2dn3 n PRO 36 Ca 0.25 0.38 0.16 0.00 -0.05 0.00 0.00 63.50 64.24 2dn3 n PRO 36 Cb 0.42 -1.77 0.92 0.00 -0.05 0.00 0.00 33.50 33.01 2dn3 n PRO 36 CO 0.00 0.00 0.00 0.11 -0.05 0.00 0.00 175.50 175.56 2dn3 h TRP 37 N 0.00 0.00 0.00 0.54 0.09 -1.92 -1.90 115.95 112.76 2dn3 h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 2dn3 h TRP 37 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.57 2dn3 h TRP 37 CO 0.00 0.03 0.00 1.79 0.09 0.00 0.00 178.44 180.35 2dn3 h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.35 -1.84 112.91 111.19 2dn3 h THR 38 Ca -0.00 -0.17 -0.01 0.00 -0.55 0.00 0.00 66.41 65.68 2dn3 h THR 38 Cb 0.09 0.92 -0.00 0.00 -1.73 0.00 0.00 68.15 67.42 2dn3 h THR 38 CO 0.00 0.00 -0.03 1.56 -0.25 0.00 0.00 175.52 176.80 2dn3 h GLN 39 N 0.00 0.00 -0.92 4.72 4.20 -1.55 -2.75 115.11 118.81 2dn3 h GLN 39 Ca 0.00 0.00 0.27 0.00 0.06 0.00 0.00 58.65 58.98 2dn3 h GLN 39 Cb 0.22 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.96 2dn3 h GLN 39 CO 0.00 0.03 0.66 -0.09 -0.67 0.00 0.00 178.83 178.77 2dn3 h ARG 40 N 0.00 0.00 -0.01 1.46 2.43 -1.54 -0.23 114.38 116.49 2dn3 h ARG 40 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2dn3 h ARG 40 Cb 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2dn3 h ARG 40 CO 0.00 0.00 -0.21 1.19 -1.51 0.00 0.00 179.97 179.45 2dn3 n PHE 41 N -4.26 0.00 -2.08 2.20 3.01 -1.04 -4.26 117.46 111.04 2dn3 n PHE 41 Ca 0.19 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.60 2dn3 n PHE 41 Cb 0.99 -0.07 0.09 0.00 -0.01 0.00 0.00 39.48 40.48 2dn3 n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2dn3 n PHE 42 N -0.29 1.10 -0.05 1.38 3.01 -0.10 -4.84 117.46 117.67 2dn3 n PHE 42 Ca 0.14 -1.67 0.11 0.00 1.01 0.00 0.00 57.45 57.04 2dn3 n PHE 42 Cb 0.38 -0.26 0.50 0.00 -0.01 0.00 0.00 39.48 40.09 2dn3 n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2dn3 h GLU 43 N 1.64 0.38 0.00 -1.08 3.07 -1.74 -1.46 114.58 115.39 2dn3 h GLU 43 Ca 0.06 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 2dn3 h GLU 43 Cb 1.37 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 2dn3 h GLU 43 CO 0.29 0.25 0.00 -1.13 -1.40 0.00 0.00 179.01 177.02 2dn3 n SER 44 N -4.47 0.00 0.00 1.42 3.41 -1.26 -3.22 113.62 109.50 2dn3 n SER 44 Ca 0.08 -0.27 0.13 0.00 -0.26 0.00 0.00 58.87 58.56 2dn3 n SER 44 Cb 0.32 -0.22 0.62 0.00 -0.26 0.00 0.00 64.21 64.68 2dn3 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2dn3 n PHE 45 N -1.22 0.00 0.00 7.33 0.99 -0.55 -5.00 117.46 119.01 2dn3 n PHE 45 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.59 2dn3 n PHE 45 Cb 0.18 -0.41 0.00 0.00 -1.00 0.00 0.00 39.48 38.25 2dn3 n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2dn3 n GLY 46 N 1.17 0.59 3.58 1.37 0.00 -1.20 -4.82 105.19 105.89 2dn3 n GLY 46 Ca 0.09 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 2dn3 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dn3 s ASP 47 N -4.00 5.86 -0.21 1.61 3.68 -1.26 -4.79 116.67 117.57 2dn3 s ASP 47 Ca 0.00 0.82 0.12 0.00 2.13 0.00 0.00 52.55 55.61 2dn3 s ASP 47 Cb 0.00 -2.53 0.41 0.00 -1.45 0.00 0.00 42.92 39.35 2dn3 s ASP 47 CO 0.00 -1.82 1.22 0.18 0.13 0.00 0.00 175.17 174.88 2dn3 n LEU 48 N 10.50 2.73 0.20 -1.34 4.77 -1.26 -4.26 117.00 128.34 2dn3 n LEU 48 Ca 0.19 -3.84 0.09 0.00 -0.03 0.00 0.00 56.01 52.43 2dn3 n LEU 48 Cb 0.49 -0.53 0.22 0.00 -2.33 0.00 0.00 43.42 41.27 2dn3 n LEU 48 CO 0.70 1.35 0.71 0.77 -1.33 0.00 0.00 177.39 179.59 2dn3 h SER 49 N 0.92 0.00 -5.22 -1.43 4.64 -1.91 -3.44 113.55 107.11 2dn3 h SER 49 Ca 0.01 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 2dn3 h SER 49 Cb 1.02 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.96 2dn3 h SER 49 CO 0.01 0.21 -0.68 0.42 -0.87 0.00 0.00 176.83 175.92 2dn3 s THR 50 N -3.25 0.24 0.24 2.95 -4.23 -1.26 -5.02 115.64 105.31 2dn3 s THR 50 Ca 0.04 -1.82 -0.05 0.00 -1.18 0.00 0.00 61.69 58.69 2dn3 s THR 50 Cb 0.07 -1.53 0.20 0.00 1.34 0.00 0.00 72.50 72.58 2dn3 s THR 50 CO 0.68 -0.99 1.77 -0.65 -0.54 0.00 0.00 174.62 174.89 2dn3 h PRO 51 N 3.14 0.61 -0.51 3.99 0.11 -1.99 -0.59 132.00 136.77 2dn3 h PRO 51 Ca -0.34 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.66 2dn3 h PRO 51 Cb 1.14 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 2dn3 h PRO 51 CO 0.66 0.40 0.01 -0.44 -0.21 0.00 0.00 178.00 178.42 2dn3 h ASP 52 N 0.63 0.81 -0.49 -2.05 3.32 -1.98 -0.15 116.42 116.50 2dn3 h ASP 52 Ca 0.39 -0.20 -0.06 0.00 0.02 0.00 0.00 57.03 57.19 2dn3 h ASP 52 Cb 0.47 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 2dn3 h ASP 52 CO -0.30 0.87 0.08 0.00 -1.72 0.00 0.00 179.24 178.16 2dn3 h ALA 53 N 1.22 0.66 -0.04 3.45 0.00 -1.68 -0.64 119.26 122.23 2dn3 h ALA 53 Ca 0.15 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2dn3 h ALA 53 Cb 0.46 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2dn3 h ALA 53 CO 0.02 0.39 0.01 0.28 0.00 0.00 0.00 179.25 179.96 2dn3 h VAL 54 N 0.70 1.15 0.00 0.00 2.07 -0.55 -1.94 116.25 117.67 2dn3 h VAL 54 Ca 0.15 -0.45 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 2dn3 h VAL 54 Cb 0.40 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 2dn3 h VAL 54 CO 0.01 0.12 -0.28 0.24 0.02 0.00 0.00 177.57 177.69 2dn3 h MET 55 N -0.11 0.00 -0.65 1.57 2.07 -0.90 -2.50 114.93 114.40 2dn3 h MET 55 Ca 0.01 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.64 2dn3 h MET 55 Cb 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.91 2dn3 h MET 55 CO -0.00 0.28 0.00 0.41 1.07 0.00 0.00 176.91 178.67 2dn3 n GLY 56 N 0.16 2.39 3.64 8.32 0.00 -0.26 -4.85 105.19 114.58 2dn3 n GLY 56 Ca -0.00 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 2dn3 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dn3 s ASN 57 N -1.07 6.64 0.53 1.61 3.84 -0.74 -4.90 114.94 120.85 2dn3 s ASN 57 Ca 0.46 1.71 0.22 0.00 0.21 0.00 0.00 52.86 55.46 2dn3 s ASN 57 Cb 0.24 -2.54 1.42 0.00 -0.55 0.00 0.00 41.25 39.83 2dn3 s ASN 57 CO 0.32 -1.02 2.13 -0.65 -2.79 0.00 0.00 177.10 175.09 2dn3 h PRO 58 N 9.56 0.00 -0.05 0.43 0.11 -1.90 -1.73 132.00 138.42 2dn3 h PRO 58 Ca -0.32 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.65 2dn3 h PRO 58 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2dn3 h PRO 58 CO 0.99 0.07 -0.61 0.87 -0.21 0.00 0.00 178.00 179.10 2dn3 h LYS 59 N 0.00 0.18 -0.35 1.05 1.57 -1.90 -1.17 116.57 115.95 2dn3 h LYS 59 Ca -0.00 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 2dn3 h LYS 59 Cb 0.14 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2dn3 h LYS 59 CO 0.01 0.74 0.09 0.28 -0.57 0.00 0.00 179.45 180.00 2dn3 h VAL 60 N 0.14 1.22 -0.44 0.50 2.07 -1.64 0.51 116.25 118.61 2dn3 h VAL 60 Ca -0.01 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 2dn3 h VAL 60 Cb 1.11 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 2dn3 h VAL 60 CO 0.09 0.25 0.21 0.50 0.02 0.00 0.00 177.57 178.65 2dn3 h LYS 61 N 0.42 0.63 -0.42 1.57 3.64 -1.27 0.16 116.57 121.29 2dn3 h LYS 61 Ca 0.11 -0.09 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 2dn3 h LYS 61 Cb 0.29 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2dn3 h LYS 61 CO 0.00 0.54 -0.13 0.00 -2.27 0.00 0.00 179.45 177.59 2dn3 h ALA 62 N 1.06 0.58 -0.47 5.00 0.00 -1.13 -1.73 119.26 122.56 2dn3 h ALA 62 Ca 0.15 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 2dn3 h ALA 62 Cb 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2dn3 h ALA 62 CO -0.02 0.49 -0.22 1.25 0.00 0.00 0.00 179.25 180.74 2dn3 h HIS 63 N 0.65 1.12 -0.74 0.00 -0.00 -0.73 -2.73 115.15 112.72 2dn3 h HIS 63 Ca 0.10 -0.27 0.08 0.00 -0.00 0.00 0.00 60.37 60.28 2dn3 h HIS 63 Cb 0.68 -0.26 -0.05 0.00 -0.00 0.00 0.00 27.41 27.78 2dn3 h HIS 63 CO 0.05 1.09 0.49 0.78 -0.00 0.00 0.00 177.93 180.35 2dn3 h GLY 64 N 0.88 0.96 1.13 5.26 0.00 -0.52 -1.22 103.07 109.55 2dn3 h GLY 64 Ca 0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 2dn3 h GLY 64 CO 0.07 0.19 0.48 1.70 0.00 0.00 0.00 176.54 178.97 2dn3 h LYS 65 N 0.70 1.15 -0.30 4.80 3.64 -1.01 -0.05 116.57 125.51 2dn3 h LYS 65 Ca 0.34 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 2dn3 h LYS 65 Cb 0.38 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2dn3 h LYS 65 CO -0.12 0.82 0.07 0.87 -2.27 0.00 0.00 179.45 178.83 2dn3 h LYS 66 N 1.16 0.48 -0.46 1.90 1.57 -1.11 -1.52 116.57 118.59 2dn3 h LYS 66 Ca 0.30 -0.12 0.06 0.00 -1.87 0.00 0.00 60.65 59.02 2dn3 h LYS 66 Cb -0.01 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.19 2dn3 h LYS 66 CO -0.05 0.56 0.18 0.28 -0.57 0.00 0.00 179.45 179.84 2dn3 h VAL 67 N 0.32 0.87 -0.16 0.50 2.07 -0.97 -1.90 116.25 116.97 2dn3 h VAL 67 Ca 0.09 -0.12 -0.09 0.00 0.82 0.00 0.00 66.70 67.40 2dn3 h VAL 67 Cb 0.29 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2dn3 h VAL 67 CO 0.00 0.07 -0.30 0.25 0.02 0.00 0.00 177.57 177.61 2dn3 h LEU 68 N 0.36 0.31 -1.08 2.57 5.85 -0.87 -1.88 115.31 120.57 2dn3 h LEU 68 Ca 0.21 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2dn3 h LEU 68 Cb 0.20 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 2dn3 h LEU 68 CO -0.21 0.60 0.45 1.23 -0.34 0.00 0.00 178.44 180.18 2dn3 h GLY 69 N 1.05 1.17 0.99 3.75 0.00 -0.66 0.56 103.07 109.93 2dn3 h GLY 69 Ca 0.04 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 2dn3 h GLY 69 CO 0.05 0.49 0.27 0.00 0.00 0.00 0.00 176.54 177.35 2dn3 h ALA 70 N 1.39 0.79 -0.94 3.60 0.00 -0.61 -0.73 119.26 122.77 2dn3 h ALA 70 Ca 0.28 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.09 2dn3 h ALA 70 Cb -0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.49 2dn3 h ALA 70 CO -0.05 0.37 0.61 0.74 0.00 0.00 0.00 179.25 180.92 2dn3 h PHE 71 N 0.84 1.13 -0.83 0.00 -1.00 -0.72 -0.84 116.94 115.51 2dn3 h PHE 71 Ca 0.21 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 61.00 2dn3 h PHE 71 Cb 0.16 -0.37 -0.04 0.00 3.61 0.00 0.00 35.95 39.30 2dn3 h PHE 71 CO 0.01 0.63 0.46 0.77 -1.61 0.00 0.00 178.31 178.57 2dn3 h SER 72 N 1.15 1.04 -0.53 2.17 0.02 -0.55 0.15 113.55 117.00 2dn3 h SER 72 Ca 0.38 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.21 2dn3 h SER 72 Cb 0.05 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 2dn3 h SER 72 CO -0.14 0.83 0.24 -0.78 -1.14 0.00 0.00 176.83 175.85 2dn3 h ASP 73 N 1.16 0.71 -0.71 3.07 -0.00 -0.46 -1.48 116.42 118.71 2dn3 h ASP 73 Ca 0.29 -0.14 0.04 0.00 -0.00 0.00 0.00 57.03 57.22 2dn3 h ASP 73 Cb 0.02 -0.18 -0.05 0.00 -0.00 0.00 0.00 39.33 39.12 2dn3 h ASP 73 CO -0.05 0.65 0.43 1.23 -0.00 0.00 0.00 179.24 181.50 2dn3 h GLY 74 N 0.71 1.03 1.52 -0.78 0.00 -0.47 -0.77 103.07 104.32 2dn3 h GLY 74 Ca 0.18 -0.32 0.04 0.00 0.00 0.00 0.00 47.33 47.24 2dn3 h GLY 74 CO -0.02 0.24 0.23 1.41 0.00 0.00 0.00 176.54 178.40 2dn3 h LEU 75 N 0.82 0.23 0.00 3.11 3.38 -0.42 -0.89 115.31 121.54 2dn3 h LEU 75 Ca 0.30 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2dn3 h LEU 75 Cb 0.08 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2dn3 h LEU 75 CO -0.14 0.15 -0.15 0.00 0.09 0.00 0.00 178.44 178.39 2dn3 n ALA 76 N -2.53 2.63 -2.67 1.53 0.00 -0.37 -4.10 120.51 114.99 2dn3 n ALA 76 Ca 0.03 -0.15 -0.13 0.00 0.00 0.00 0.00 53.44 53.19 2dn3 n ALA 76 Cb 0.21 -1.37 0.02 0.00 0.00 0.00 0.00 19.45 18.31 2dn3 n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2dn3 n HIS 77 N -1.67 1.56 0.33 0.00 8.25 -0.38 -4.93 115.22 118.38 2dn3 n HIS 77 Ca 0.06 -2.96 0.22 0.00 -0.26 0.00 0.00 57.72 54.79 2dn3 n HIS 77 Cb 0.36 -0.33 1.18 0.00 1.12 0.00 0.00 29.99 32.33 2dn3 n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2dn3 h LEU 78 N 2.92 0.00 -2.60 2.41 3.38 -1.60 -0.68 115.31 119.15 2dn3 h LEU 78 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2dn3 h LEU 78 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2dn3 h LEU 78 CO 0.57 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.57 2dn3 n ASP 79 N -3.03 3.78 -2.91 -0.43 8.00 -1.26 -4.33 116.55 116.38 2dn3 n ASP 79 Ca -0.03 -2.00 -0.13 0.00 0.71 0.00 0.00 54.79 53.35 2dn3 n ASP 79 Cb 0.07 -0.47 0.04 0.00 -0.02 0.00 0.00 41.12 40.74 2dn3 n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2dn3 n ASN 80 N 1.57 -1.20 0.17 -2.24 5.15 -0.27 -4.95 115.26 113.49 2dn3 n ASN 80 Ca 0.24 -3.41 0.02 0.00 -0.60 0.00 0.00 54.58 50.83 2dn3 n ASN 80 Cb 0.59 0.96 0.35 0.00 -0.53 0.00 0.00 39.78 41.16 2dn3 n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2dn3 h LEU 81 N 3.10 0.07 -0.41 1.20 3.38 -1.74 -2.43 115.31 118.47 2dn3 h LEU 81 Ca -0.03 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2dn3 h LEU 81 Cb 1.04 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 2dn3 h LEU 81 CO 0.28 0.40 0.14 0.50 0.09 0.00 0.00 178.44 179.85 2dn3 h LYS 82 N 0.06 0.62 -0.53 1.13 3.64 -1.91 -1.45 116.57 118.13 2dn3 h LYS 82 Ca 0.01 -0.12 -0.07 0.00 -1.27 0.00 0.00 60.65 59.19 2dn3 h LYS 82 Cb 0.62 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 2dn3 h LYS 82 CO 0.05 0.60 0.05 0.78 -2.27 0.00 0.00 179.45 178.65 2dn3 h GLY 83 N 0.51 0.97 0.69 5.01 0.00 -1.94 -2.04 103.07 106.28 2dn3 h GLY 83 Ca 0.13 -0.68 0.07 0.00 0.00 0.00 0.00 47.33 46.85 2dn3 h GLY 83 CO -0.01 0.63 0.56 -0.84 0.00 0.00 0.00 176.54 176.88 2dn3 h THR 84 N 0.78 1.04 -0.58 4.70 2.02 -1.22 -2.84 112.91 116.81 2dn3 h THR 84 Ca 0.16 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.99 2dn3 h THR 84 Cb 0.46 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 2dn3 h THR 84 CO 0.02 0.18 0.00 0.49 0.37 0.00 0.00 175.52 176.58 2dn3 n PHE 85 N -4.60 0.76 -0.06 3.16 3.01 -0.57 -4.70 117.46 114.47 2dn3 n PHE 85 Ca 0.14 -0.42 -0.07 0.00 1.01 0.00 0.00 57.45 58.11 2dn3 n PHE 85 Cb 0.20 -0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.65 2dn3 n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2dn3 h ALA 86 N 4.06 0.07 -0.12 4.37 0.00 -1.11 0.27 119.26 126.79 2dn3 h ALA 86 Ca 0.00 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 2dn3 h ALA 86 Cb 0.95 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2dn3 h ALA 86 CO 0.00 -0.54 -0.48 1.79 0.00 0.00 0.00 179.25 180.02 2dn3 h THR 87 N -0.11 1.33 0.00 0.00 1.35 -1.84 -1.60 112.91 112.05 2dn3 h THR 87 Ca 0.14 -1.69 -0.10 0.00 -0.55 0.00 0.00 66.41 64.22 2dn3 h THR 87 Cb 0.32 1.77 -0.01 0.00 -1.73 0.00 0.00 68.15 68.49 2dn3 h THR 87 CO -0.33 0.51 -0.46 -0.07 -0.25 0.00 0.00 175.52 174.91 2dn3 h LEU 88 N 0.25 0.00 -0.21 3.87 3.38 -1.69 -1.63 115.31 119.28 2dn3 h LEU 88 Ca 0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 2dn3 h LEU 88 Cb 0.94 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2dn3 h LEU 88 CO 0.08 0.46 -0.10 -1.28 0.09 0.00 0.00 178.44 177.69 2dn3 h SER 89 N 0.00 0.46 -0.63 -0.43 0.87 0.01 -0.21 113.55 113.61 2dn3 h SER 89 Ca -0.00 -0.40 0.08 0.00 -1.23 0.00 0.00 61.79 60.23 2dn3 h SER 89 Cb 0.85 -0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 62.62 2dn3 h SER 89 CO 0.06 0.76 0.31 -0.33 -0.53 0.00 0.00 176.83 177.10 2dn3 h GLU 90 N 0.15 0.54 0.17 2.24 5.08 -1.07 0.42 114.58 122.11 2dn3 h GLU 90 Ca 0.05 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2dn3 h GLU 90 Cb 0.58 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2dn3 h GLU 90 CO 0.03 0.36 -0.08 1.25 -1.00 0.00 0.00 179.01 179.56 2dn3 h LEU 91 N 0.56 -0.19 -0.27 1.33 5.85 -1.14 -0.67 115.31 120.77 2dn3 h LEU 91 Ca 0.30 -0.11 -0.16 0.00 0.84 0.00 0.00 57.88 58.75 2dn3 h LEU 91 Cb 0.28 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2dn3 h LEU 91 CO -0.23 -0.01 -0.76 0.45 -0.34 0.00 0.00 178.44 177.55 2dn3 h HIS 92 N -0.38 0.00 0.00 1.25 3.86 -0.79 0.44 115.15 119.54 2dn3 h HIS 92 Ca -0.02 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 2dn3 h HIS 92 Cb 0.29 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.76 2dn3 h HIS 92 CO -0.02 0.76 -0.76 0.00 0.86 0.00 0.00 177.93 178.77 2dn3 h ASP 94 N -1.00 0.50 0.02 0.00 3.45 -1.25 -2.78 116.42 115.36 2dn3 h ASP 94 Ca -0.02 -0.38 -0.38 0.00 0.43 0.00 0.00 57.03 56.68 2dn3 h ASP 94 Cb 0.74 -0.15 -0.05 0.00 -0.56 0.00 0.00 39.33 39.31 2dn3 h ASP 94 CO -0.01 1.16 -2.18 1.17 -1.57 0.00 0.00 179.24 177.81 2dn3 n LYS 95 N -3.76 0.64 0.08 3.56 3.00 -0.85 -4.60 118.16 116.23 2dn3 n LYS 95 Ca -0.06 0.29 0.11 0.00 -0.00 0.00 0.00 58.31 58.65 2dn3 n LYS 95 Cb 0.80 -1.59 -0.04 0.00 0.00 0.00 0.00 35.03 34.20 2dn3 n LYS 95 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2dn3 n LEU 96 N -3.84 0.66 -3.46 3.14 4.77 0.12 -4.98 117.00 113.41 2dn3 n LEU 96 Ca -0.44 0.25 -0.24 0.00 -0.03 0.00 0.00 56.01 55.55 2dn3 n LEU 96 Cb 0.91 -0.05 0.06 0.00 -2.33 0.00 0.00 43.42 42.01 2dn3 n LEU 96 CO 0.21 -0.14 0.16 1.41 -1.33 0.00 0.00 177.39 177.70 2dn3 n HIS 97 N -2.56 -2.58 -2.26 -1.77 8.25 -0.97 -4.96 115.22 108.38 2dn3 n HIS 97 Ca -0.01 0.87 -0.42 0.00 -0.26 0.00 0.00 57.72 57.90 2dn3 n HIS 97 Cb 0.55 -4.78 -0.03 0.00 1.12 0.00 0.00 29.99 26.85 2dn3 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2dn3 s VAL 98 N -3.27 3.67 0.26 1.59 1.01 -0.30 -4.98 120.40 118.38 2dn3 s VAL 98 Ca 0.52 1.14 -0.30 0.00 0.00 0.00 0.00 61.98 63.33 2dn3 s VAL 98 Cb -0.23 -3.73 -0.10 0.00 0.00 0.00 0.00 36.38 32.31 2dn3 s VAL 98 CO 0.64 0.05 1.50 -0.62 0.00 0.00 0.00 175.10 176.66 2dn3 s ASP 99 N 1.43 6.55 0.43 3.32 2.15 -1.26 -4.78 116.67 124.52 2dn3 s ASP 99 Ca 0.63 2.76 0.30 0.00 0.43 0.00 0.00 52.55 56.67 2dn3 s ASP 99 Cb -0.32 -2.63 1.36 0.00 -0.30 0.00 0.00 42.92 41.03 2dn3 s ASP 99 CO 0.28 -0.78 1.90 1.55 -0.17 0.00 0.00 175.17 177.95 2dn3 h PRO 100 N 5.05 0.00 -0.58 4.34 0.13 -1.96 -1.11 132.00 137.87 2dn3 h PRO 100 Ca -0.46 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 64.82 2dn3 h PRO 100 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 2dn3 h PRO 100 CO 0.79 0.00 0.41 1.49 -0.23 0.00 0.00 178.00 180.46 2dn3 h GLU 101 N 0.00 0.07 0.00 0.86 4.57 -1.99 -0.21 114.58 117.88 2dn3 h GLU 101 Ca 0.00 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 2dn3 h GLU 101 Cb 0.31 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.88 2dn3 h GLU 101 CO 0.00 0.05 -0.12 -0.91 -1.18 0.00 0.00 179.01 176.84 2dn3 h ASN 102 N 0.07 0.00 -0.40 1.04 2.35 -1.56 -1.77 115.58 115.31 2dn3 h ASN 102 Ca 0.28 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.91 2dn3 h ASN 102 Cb 0.99 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.35 2dn3 h ASN 102 CO -0.02 0.12 -0.18 -0.26 -1.65 0.00 0.00 177.43 175.44 2dn3 h PHE 103 N 0.00 1.00 -0.46 1.19 0.04 -1.18 -0.58 116.94 116.95 2dn3 h PHE 103 Ca -0.00 -0.22 -0.02 0.00 2.80 0.00 0.00 57.97 60.53 2dn3 h PHE 103 Cb 0.51 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.39 2dn3 h PHE 103 CO 0.00 0.99 0.21 -0.09 -0.60 0.00 0.00 178.31 178.82 2dn3 h ARG 104 N 0.78 0.67 -0.46 1.51 2.43 -1.40 -2.01 114.38 115.89 2dn3 h ARG 104 Ca 0.11 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2dn3 h ARG 104 Cb 0.72 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 2dn3 h ARG 104 CO 0.06 0.58 0.20 -0.07 -1.51 0.00 0.00 179.97 179.23 2dn3 h LEU 105 N 0.60 0.63 -0.84 3.80 3.38 -1.07 -1.05 115.31 120.75 2dn3 h LEU 105 Ca 0.16 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2dn3 h LEU 105 Cb 0.14 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2dn3 h LEU 105 CO -0.02 0.61 -0.03 0.25 0.09 0.00 0.00 178.44 179.34 2dn3 h LEU 106 N 0.60 0.81 -0.98 1.67 5.85 -1.04 -0.29 115.31 121.94 2dn3 h LEU 106 Ca 0.16 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2dn3 h LEU 106 Cb 0.17 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 2dn3 h LEU 106 CO -0.02 0.89 0.61 1.23 -0.34 0.00 0.00 178.44 180.82 2dn3 h GLY 107 N 0.98 1.39 1.84 3.75 0.00 -1.00 -0.66 103.07 109.38 2dn3 h GLY 107 Ca 0.14 -0.55 -0.16 0.00 0.00 0.00 0.00 47.33 46.76 2dn3 h GLY 107 CO 0.03 0.54 -0.72 3.43 0.00 0.00 0.00 176.54 179.81 2dn3 h ASN 108 N 1.33 0.18 -0.61 0.19 2.35 -0.61 -1.35 115.58 117.07 2dn3 h ASN 108 Ca 0.35 -0.12 -0.05 0.00 -0.55 0.00 0.00 56.30 55.93 2dn3 h ASN 108 Cb -0.10 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 2dn3 h ASN 108 CO -0.07 0.84 0.18 0.58 -1.65 0.00 0.00 177.43 177.31 2dn3 h VAL 109 N 0.10 1.25 -0.87 2.81 2.07 -0.70 -1.31 116.25 119.59 2dn3 h VAL 109 Ca -0.02 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.66 2dn3 h VAL 109 Cb 1.27 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 2dn3 h VAL 109 CO 0.11 0.32 0.57 0.25 0.02 0.00 0.00 177.57 178.84 2dn3 h LEU 110 N 0.87 1.01 -0.59 2.57 5.85 -0.88 -0.34 115.31 123.80 2dn3 h LEU 110 Ca 0.19 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.91 2dn3 h LEU 110 Cb 0.30 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 2dn3 h LEU 110 CO -0.00 0.74 0.35 0.58 -0.34 0.00 0.00 178.44 179.76 2dn3 h VAL 111 N 1.19 1.05 -0.89 1.05 2.07 -0.80 0.28 116.25 120.20 2dn3 h VAL 111 Ca 0.32 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.61 2dn3 h VAL 111 Cb -0.12 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 29.91 2dn3 h VAL 111 CO -0.07 0.12 0.57 0.00 0.02 0.00 0.00 177.57 178.22 2dn3 h VAL 113 N 1.21 1.24 -0.81 0.00 2.07 -0.20 -0.36 116.25 119.40 2dn3 h VAL 113 Ca 0.32 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 2dn3 h VAL 113 Cb -0.12 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 2dn3 h VAL 113 CO -0.07 0.31 0.41 -0.07 0.02 0.00 0.00 177.57 178.17 2dn3 h LEU 114 N 0.69 1.03 -0.66 2.57 3.38 -0.61 -0.11 115.31 121.60 2dn3 h LEU 114 Ca 0.16 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.04 2dn3 h LEU 114 Cb 0.34 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 2dn3 h LEU 114 CO 0.00 0.86 0.40 0.00 0.09 0.00 0.00 178.44 179.79 2dn3 h ALA 115 N 1.22 0.87 -0.43 1.53 0.00 -0.90 0.25 119.26 121.81 2dn3 h ALA 115 Ca 0.28 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2dn3 h ALA 115 Cb 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2dn3 h ALA 115 CO -0.04 0.13 0.17 1.25 0.00 0.00 0.00 179.25 180.77 2dn3 h HIS 116 N 0.77 0.65 0.00 0.00 -0.00 -0.56 0.97 115.15 116.99 2dn3 h HIS 116 Ca 0.28 -0.05 -0.13 0.00 -0.00 0.00 0.00 60.37 60.47 2dn3 h HIS 116 Cb 0.07 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 27.27 2dn3 h HIS 116 CO -0.06 0.56 -0.62 0.45 -0.00 0.00 0.00 177.93 178.27 2dn3 h HIS 117 N 0.55 0.00 0.00 5.26 -0.00 -0.78 -3.33 115.15 116.84 2dn3 h HIS 117 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.51 2dn3 h HIS 117 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.60 2dn3 h HIS 117 CO 0.00 0.62 -0.97 1.19 -0.00 0.00 0.00 177.93 178.77 2dn3 n PHE 118 N -3.47 0.00 -1.92 2.45 3.01 0.06 -5.06 117.46 112.53 2dn3 n PHE 118 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2dn3 n PHE 118 Cb 0.69 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 40.05 2dn3 n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2dn3 n GLY 119 N 1.47 3.37 0.29 1.37 0.00 0.33 -1.78 105.19 110.24 2dn3 n GLY 119 Ca 0.01 -0.20 0.15 0.00 0.00 0.00 0.00 46.02 45.98 2dn3 n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2dn3 h LYS 120 N 0.00 0.00 0.00 1.61 3.64 -1.97 0.34 116.57 120.19 2dn3 h LYS 120 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2dn3 h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2dn3 h LYS 120 CO 0.00 0.04 -0.05 0.93 -2.27 0.00 0.00 179.45 178.09 2dn3 h GLU 121 N 0.00 0.00 -3.59 1.90 5.08 -1.75 -3.29 114.58 112.93 2dn3 h GLU 121 Ca -0.00 0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.63 2dn3 h GLU 121 Cb 0.12 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.27 2dn3 h GLU 121 CO 0.01 0.05 2.59 0.34 -1.00 0.00 0.00 179.01 181.00 2dn3 n PHE 122 N -3.22 3.10 -1.13 4.33 7.35 0.11 -4.91 117.46 123.09 2dn3 n PHE 122 Ca -0.00 -2.88 -0.30 0.00 -0.76 0.00 0.00 57.45 53.51 2dn3 n PHE 122 Cb 0.27 -2.20 0.15 0.00 0.35 0.00 0.00 39.48 38.05 2dn3 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2dn3 s THR 123 N 1.45 2.60 0.24 -2.13 -4.23 -1.24 -4.65 115.64 107.67 2dn3 s THR 123 Ca 0.45 0.19 -0.05 0.00 -1.18 0.00 0.00 61.69 61.11 2dn3 s THR 123 Cb 0.12 -2.62 0.20 0.00 1.34 0.00 0.00 72.50 71.55 2dn3 s THR 123 CO -0.04 -0.25 1.79 -0.65 -0.54 0.00 0.00 174.62 174.92 2dn3 h PRO 124 N -1.63 0.67 -0.43 3.99 0.11 -1.93 0.90 132.00 133.68 2dn3 h PRO 124 Ca -0.50 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.50 2dn3 h PRO 124 Cb 1.28 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2dn3 h PRO 124 CO 0.53 0.44 -0.04 -1.35 -0.21 0.00 0.00 178.00 177.38 2dn3 h PRO 125 N 0.69 0.72 -0.59 1.05 0.11 -1.99 -0.98 132.00 131.01 2dn3 h PRO 125 Ca 0.39 -0.20 -0.05 0.00 0.11 0.00 0.00 66.00 66.25 2dn3 h PRO 125 Cb 0.41 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.41 2dn3 h PRO 125 CO -0.27 0.76 0.19 0.28 -0.21 0.00 0.00 178.00 178.74 2dn3 h VAL 126 N 0.67 1.24 -0.73 3.15 2.07 -1.68 -2.12 116.25 118.85 2dn3 h VAL 126 Ca 0.13 -0.82 0.02 0.00 0.82 0.00 0.00 66.70 66.86 2dn3 h VAL 126 Cb 0.47 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 2dn3 h VAL 126 CO 0.02 0.31 0.47 -0.61 0.02 0.00 0.00 177.57 177.78 2dn3 h GLN 127 N 0.83 0.90 -0.96 1.57 4.15 -0.61 -1.52 115.11 119.46 2dn3 h GLN 127 Ca 0.19 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.55 2dn3 h GLN 127 Cb 0.28 -0.20 -0.05 0.00 0.21 0.00 0.00 27.48 27.72 2dn3 h GLN 127 CO -0.01 0.59 0.60 0.00 -1.93 0.00 0.00 178.83 178.09 2dn3 h ALA 128 N 1.30 1.23 -0.31 3.38 0.00 -0.81 0.27 119.26 124.31 2dn3 h ALA 128 Ca 0.28 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2dn3 h ALA 128 Cb -0.02 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 2dn3 h ALA 128 CO -0.09 0.67 0.12 0.00 0.00 0.00 0.00 179.25 179.94 2dn3 h ALA 129 N 1.33 0.41 0.00 0.00 0.00 -1.04 -2.49 119.26 117.46 2dn3 h ALA 129 Ca 0.35 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2dn3 h ALA 129 Cb -0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2dn3 h ALA 129 CO -0.07 0.01 -0.20 1.88 0.00 0.00 0.00 179.25 180.88 2dn3 h TYR 130 N 0.36 0.00 -0.43 0.00 0.05 -0.43 -2.25 116.97 114.26 2dn3 h TYR 130 Ca 0.10 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.80 2dn3 h TYR 130 Cb 0.19 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.91 2dn3 h TYR 130 CO -0.00 0.20 -0.07 1.96 -1.05 0.00 0.00 178.16 179.20 2dn3 h GLN 131 N 0.00 0.73 -0.68 4.88 1.08 -0.19 -0.53 115.11 120.40 2dn3 h GLN 131 Ca -0.00 -0.22 -0.01 0.00 -1.45 0.00 0.00 58.65 56.97 2dn3 h GLN 131 Cb 0.37 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.69 2dn3 h GLN 131 CO 0.03 0.79 0.40 0.87 -0.95 0.00 0.00 178.83 179.97 2dn3 h LYS 132 N 0.67 0.92 0.33 1.46 1.57 -0.98 -1.23 116.57 119.32 2dn3 h LYS 132 Ca 0.12 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2dn3 h LYS 132 Cb 0.52 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2dn3 h LYS 132 CO 0.03 0.66 -0.16 0.28 -0.57 0.00 0.00 179.45 179.69 2dn3 h VAL 133 N 0.92 0.68 0.00 0.50 2.07 -0.97 -0.80 116.25 118.64 2dn3 h VAL 133 Ca 0.24 -0.03 -0.09 0.00 0.82 0.00 0.00 66.70 67.64 2dn3 h VAL 133 Cb -0.02 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2dn3 h VAL 133 CO -0.04 0.01 -0.45 -0.37 0.02 0.00 0.00 177.57 176.73 2dn3 h VAL 134 N -0.46 1.25 -0.48 2.57 -1.51 -1.05 -0.33 116.25 116.25 2dn3 h VAL 134 Ca -0.05 -1.58 -0.03 0.00 -1.23 0.00 0.00 66.70 63.81 2dn3 h VAL 134 Cb 0.35 1.87 -0.02 0.00 -2.13 0.00 0.00 31.29 31.36 2dn3 h VAL 134 CO 0.07 0.44 0.18 0.00 -1.23 0.00 0.00 177.57 177.03 2dn3 h ALA 135 N 1.55 0.62 -0.42 5.19 0.00 -1.14 -1.39 119.26 123.66 2dn3 h ALA 135 Ca -0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 2dn3 h ALA 135 Cb 0.84 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2dn3 h ALA 135 CO 0.06 0.25 -0.16 0.78 0.00 0.00 0.00 179.25 180.18 2dn3 h GLY 136 N 0.63 0.86 0.90 0.00 0.00 -0.52 -0.59 103.07 104.36 2dn3 h GLY 136 Ca 0.16 -0.69 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 2dn3 h GLY 136 CO -0.01 0.63 0.08 -2.08 0.00 0.00 0.00 176.54 175.16 2dn3 h VAL 137 N 0.71 1.22 -0.63 4.60 2.07 -0.98 -1.56 116.25 121.69 2dn3 h VAL 137 Ca 0.11 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 2dn3 h VAL 137 Cb 0.66 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 2dn3 h VAL 137 CO 0.05 0.25 0.36 0.00 0.02 0.00 0.00 177.57 178.24 2dn3 h ALA 138 N 0.91 0.80 -0.77 1.67 0.00 -1.08 0.03 119.26 120.83 2dn3 h ALA 138 Ca 0.10 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2dn3 h ALA 138 Cb 0.30 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2dn3 h ALA 138 CO 0.00 0.31 0.28 -0.97 0.00 0.00 0.00 179.25 178.87 2dn3 h ASN 139 N 0.85 1.08 -0.46 0.00 -0.73 -0.99 -1.29 115.58 114.06 2dn3 h ASN 139 Ca 0.22 -0.19 -0.14 0.00 1.87 0.00 0.00 56.30 58.06 2dn3 h ASN 139 Cb 0.02 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.32 2dn3 h ASN 139 CO -0.04 0.98 -0.26 0.00 -0.37 0.00 0.00 177.43 177.74 2dn3 h ALA 140 N 1.14 0.66 0.00 1.57 0.00 -0.97 -2.65 119.26 119.01 2dn3 h ALA 140 Ca 0.25 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2dn3 h ALA 140 Cb 0.26 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2dn3 h ALA 140 CO -0.02 0.68 -0.17 1.25 0.00 0.00 0.00 179.25 181.00 2dn3 h LEU 141 N 0.84 0.00 -1.48 0.00 5.85 -0.70 -2.45 115.31 117.36 2dn3 h LEU 141 Ca 0.10 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2dn3 h LEU 141 Cb 0.84 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.87 2dn3 h LEU 141 CO 0.07 0.17 0.00 0.00 -0.34 0.00 0.00 178.44 178.34 2dn3 n ALA 142 N -2.34 2.48 -0.30 1.25 0.00 -0.51 -4.35 120.51 116.74 2dn3 n ALA 142 Ca -0.02 -0.68 0.09 0.00 0.00 0.00 0.00 53.44 52.83 2dn3 n ALA 142 Cb 0.27 -1.01 0.31 0.00 0.00 0.00 0.00 19.45 19.02 2dn3 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2dn3 h HIS 143 N 2.79 0.95 0.00 0.00 6.17 -1.25 -0.51 115.15 123.30 2dn3 h HIS 143 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 2dn3 h HIS 143 Cb 0.62 -0.30 0.00 0.00 2.52 0.00 0.00 27.41 30.24 2dn3 h HIS 143 CO 0.18 0.39 0.00 1.63 0.71 0.00 0.00 177.93 180.84 2dn3 n LYS 144 N -4.57 0.12 0.03 5.26 4.76 -1.26 -1.17 118.16 121.34 2dn3 n LYS 144 Ca 0.17 0.45 0.12 0.00 -2.87 0.00 0.00 58.31 56.18 2dn3 n LYS 144 Cb 0.38 -1.78 0.28 0.00 -1.84 0.00 0.00 35.03 32.07 2dn3 n LYS 144 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2dn3 n TYR 145 N -2.02 0.26 1.22 2.13 4.01 -0.20 -4.96 117.16 117.59 2dn3 n TYR 145 Ca 0.01 0.08 0.13 0.00 -0.16 0.00 0.00 57.90 57.96 2dn3 n TYR 145 Cb 0.15 -0.47 0.29 0.00 -0.31 0.00 0.00 39.34 38.99 2dn3 n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12