#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dw3 h ASP 2 N 0.00 0.15 -1.80 0.00 5.19 -2.11 -3.42 116.42 114.43 2dw3 h ASP 2 Ca 0.00 -0.01 -0.63 0.00 -0.62 0.00 0.00 57.03 55.77 2dw3 h ASP 2 Cb 0.00 -0.04 0.01 0.00 0.18 0.00 0.00 39.33 39.48 2dw3 h ASP 2 CO 0.00 0.13 1.19 0.29 -3.12 0.00 0.00 179.24 177.74 2dw3 n LYS 3 N -4.49 1.86 0.00 3.56 5.02 -1.26 -4.45 118.16 118.39 2dw3 n LYS 3 Ca -0.01 0.64 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 2dw3 n LYS 3 Cb 0.10 -2.63 0.00 0.00 -0.02 0.00 0.00 35.03 32.48 2dw3 n LYS 3 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2dw3 n THR 4 N 5.80 0.00 0.00 -0.18 -2.24 -1.26 -5.13 114.28 111.27 2dw3 n THR 4 Ca 0.27 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.05 2dw3 n THR 4 Cb 0.28 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 2dw3 n THR 4 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2dw3 n ILE 5 N -1.29 0.00 0.00 2.28 -5.35 -1.26 -4.69 119.36 109.04 2dw3 n ILE 5 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2dw3 n ILE 5 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 2dw3 n ILE 5 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2dw3 n PHE 6 N 10.37 0.00 0.06 4.28 3.72 -1.26 -2.91 117.46 131.72 2dw3 n PHE 6 Ca 0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 2dw3 n PHE 6 Cb 0.00 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.57 2dw3 n PHE 6 CO 0.00 0.00 0.00 -2.95 -0.05 0.00 0.00 176.76 173.76 2dw3 h ASN 7 N 0.00 0.41 0.04 4.37 -1.07 -2.06 -3.30 115.58 113.98 2dw3 h ASN 7 Ca 0.00 -0.28 -0.00 0.00 0.07 0.00 0.00 56.30 56.09 2dw3 h ASN 7 Cb 0.00 -0.12 0.00 0.00 -2.07 0.00 0.00 38.32 36.13 2dw3 h ASN 7 CO 0.00 1.02 -0.02 0.44 0.07 0.00 0.00 177.43 178.94 2dw3 h ASP 8 N 0.22 -0.05 -4.00 6.14 5.19 -1.89 -3.50 116.42 118.54 2dw3 h ASP 8 Ca -0.03 -0.47 0.00 0.00 -0.62 0.00 0.00 57.03 55.90 2dw3 h ASP 8 Cb 1.34 0.01 -0.00 0.00 0.18 0.00 0.00 39.33 40.86 2dw3 h ASP 8 CO 0.13 0.46 -0.00 1.41 -3.12 0.00 0.00 179.24 178.12 2dw3 n HIS 9 N -4.87 -1.81 -1.75 4.55 8.25 -1.24 -5.08 115.22 113.26 2dw3 n HIS 9 Ca -0.09 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.37 2dw3 n HIS 9 Cb 0.26 -0.01 -0.00 0.00 1.12 0.00 0.00 29.99 31.36 2dw3 n HIS 9 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2dw3 n LEU 10 N 0.00 -3.13 0.18 2.41 4.77 -1.26 -4.89 117.00 115.09 2dw3 n LEU 10 Ca 0.00 0.40 0.03 0.00 -0.03 0.00 0.00 56.01 56.42 2dw3 n LEU 10 Cb 0.00 -1.51 0.35 0.00 -2.33 0.00 0.00 43.42 39.94 2dw3 n LEU 10 CO 0.00 -0.79 0.69 -0.55 -1.33 0.00 0.00 177.39 175.42 2dw3 h ASN 11 N 0.77 0.00 0.00 -1.43 -1.07 -2.04 -3.47 115.58 108.34 2dw3 h ASN 11 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.31 2dw3 h ASN 11 Cb 0.13 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.38 2dw3 h ASN 11 CO 0.01 0.40 0.00 0.41 0.07 0.00 0.00 177.43 178.32 2dw3 n THR 12 N -3.87 0.00 -3.00 6.14 -1.04 -1.26 -4.92 114.28 106.33 2dw3 n THR 12 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2dw3 n THR 12 Cb 0.45 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.96 2dw3 n THR 12 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2dw3 n ASN 13 N 9.27 -6.84 -0.32 8.00 5.15 -1.26 -4.28 115.26 124.98 2dw3 n ASN 13 Ca 0.00 0.68 0.10 0.00 -0.60 0.00 0.00 54.58 54.76 2dw3 n ASN 13 Cb 0.00 -1.48 0.27 0.00 -0.53 0.00 0.00 39.78 38.04 2dw3 n ASN 13 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2dw3 h PRO 14 N 4.28 0.66 -0.44 1.20 0.11 -1.99 -1.94 132.00 133.88 2dw3 h PRO 14 Ca 0.00 -0.04 0.08 0.00 0.11 0.00 0.00 66.00 66.15 2dw3 h PRO 14 Cb 0.43 -0.15 -0.07 0.00 0.11 0.00 0.00 31.00 31.32 2dw3 h PRO 14 CO 0.00 0.44 0.02 -0.22 -0.21 0.00 0.00 178.00 178.03 2dw3 h LYS 15 N 0.68 0.13 -0.00 1.05 1.63 -2.01 -1.32 116.57 116.74 2dw3 h LYS 15 Ca 0.52 -0.01 -0.14 0.00 -0.85 0.00 0.00 60.65 60.17 2dw3 h LYS 15 Cb 0.79 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.37 2dw3 h LYS 15 CO -0.38 0.09 -0.68 0.00 -3.45 0.00 0.00 179.45 175.03 2dw3 h THR 16 N 0.14 1.48 0.64 1.00 1.03 -1.67 -2.52 112.91 113.01 2dw3 h THR 16 Ca 0.22 -2.31 -0.03 0.00 -0.01 0.00 0.00 66.41 64.28 2dw3 h THR 16 Cb 0.31 2.24 0.01 0.00 -1.07 0.00 0.00 68.15 69.64 2dw3 h THR 16 CO -0.34 0.66 -0.31 0.78 -0.01 0.00 0.00 175.52 176.30 2dw3 h ASN 17 N 0.01 -0.73 -0.81 0.00 2.35 -0.61 0.83 115.58 116.62 2dw3 h ASN 17 Ca -0.01 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 2dw3 h ASN 17 Cb 1.20 0.19 -0.04 0.00 0.05 0.00 0.00 38.32 39.72 2dw3 h ASN 17 CO 0.09 -0.43 0.36 0.25 -1.65 0.00 0.00 177.43 176.04 2dw3 h LEU 18 N -0.99 1.09 0.08 1.61 5.85 -1.36 -0.83 115.31 120.77 2dw3 h LEU 18 Ca -0.09 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 2dw3 h LEU 18 Cb 0.69 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2dw3 h LEU 18 CO 0.14 0.94 -0.04 -0.09 -0.34 0.00 0.00 178.44 179.06 2dw3 h ARG 19 N 1.17 -0.11 -0.86 1.25 2.43 -1.39 -0.85 114.38 116.02 2dw3 h ARG 19 Ca 0.28 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.43 2dw3 h ARG 19 Cb 0.17 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 2dw3 h ARG 19 CO -0.03 0.01 0.44 -0.07 -1.51 0.00 0.00 179.97 178.81 2dw3 h LEU 20 N -0.20 1.11 0.42 3.80 3.38 -0.69 0.29 115.31 123.41 2dw3 h LEU 20 Ca -0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2dw3 h LEU 20 Cb 0.17 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2dw3 h LEU 20 CO 0.02 0.91 -0.20 -0.25 0.09 0.00 0.00 178.44 179.01 2dw3 h TRP 21 N 1.22 -0.52 -0.54 1.13 2.91 -0.95 0.68 115.95 119.88 2dw3 h TRP 21 Ca 0.30 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.29 2dw3 h TRP 21 Cb 0.08 0.17 -0.02 0.00 -0.51 0.00 0.00 29.16 28.88 2dw3 h TRP 21 CO 0.01 -0.28 0.26 0.28 -1.03 0.00 0.00 178.44 177.68 2dw3 h VAL 22 N -0.64 1.20 0.08 2.65 2.07 -1.06 0.14 116.25 120.70 2dw3 h VAL 22 Ca -0.06 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 2dw3 h VAL 22 Cb 0.47 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2dw3 h VAL 22 CO 0.09 0.23 -0.04 0.00 0.02 0.00 0.00 177.57 177.88 2dw3 h ALA 23 N 1.09 -0.11 -0.61 1.67 0.00 -0.87 0.89 119.26 121.33 2dw3 h ALA 23 Ca 0.19 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2dw3 h ALA 23 Cb 0.13 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2dw3 h ALA 23 CO -0.02 -0.56 0.28 0.35 0.00 0.00 0.00 179.25 179.30 2dw3 h PHE 24 N -0.12 0.89 -0.32 0.00 3.04 -0.75 0.11 116.94 119.79 2dw3 h PHE 24 Ca -0.01 -0.05 -0.02 0.00 3.98 0.00 0.00 57.97 61.87 2dw3 h PHE 24 Cb 0.10 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.32 2dw3 h PHE 24 CO -0.07 0.68 0.13 0.37 -2.02 0.00 0.00 178.31 177.40 2dw3 h GLN 25 N 0.84 0.47 -0.34 1.11 4.15 -0.78 0.67 115.11 121.23 2dw3 h GLN 25 Ca 0.21 -0.08 -0.08 0.00 0.77 0.00 0.00 58.65 59.46 2dw3 h GLN 25 Cb 0.14 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 2dw3 h GLN 25 CO -0.02 0.48 -0.11 1.98 -1.93 0.00 0.00 178.83 179.22 2dw3 h MET 26 N 0.37 0.68 0.48 1.69 4.05 -0.66 0.43 114.93 121.96 2dw3 h MET 26 Ca 0.11 -0.27 -0.02 0.00 -0.28 0.00 0.00 59.70 59.23 2dw3 h MET 26 Cb 0.18 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.95 2dw3 h MET 26 CO -0.01 0.86 -0.23 0.52 0.23 0.00 0.00 176.91 178.28 2dw3 h MET 27 N 0.46 -0.62 0.07 0.39 2.86 -0.70 -0.55 114.93 116.84 2dw3 h MET 27 Ca 0.08 0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2dw3 h MET 27 Cb 0.62 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.42 2dw3 h MET 27 CO 0.04 -0.32 -0.03 0.87 1.06 0.00 0.00 176.91 178.52 2dw3 h LYS 28 N -0.88 -0.09 0.00 1.72 1.57 -0.93 0.29 116.57 118.25 2dw3 h LYS 28 Ca -0.07 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2dw3 h LYS 28 Cb 0.59 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2dw3 h LYS 28 CO 0.11 0.21 0.00 0.41 -0.57 0.00 0.00 179.45 179.61 2dw3 n GLY 29 N -0.33 -2.73 0.29 3.86 0.00 0.15 -1.36 105.19 105.07 2dw3 n GLY 29 Ca -0.08 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.12 2dw3 n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dw3 h ALA 30 N -1.94 2.00 -2.29 4.61 0.00 -1.21 0.81 119.26 121.23 2dw3 h ALA 30 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2dw3 h ALA 30 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2dw3 h ALA 30 CO 0.00 -0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.55 2dw3 n GLY 31 N -1.52 -2.27 0.07 0.00 0.00 0.10 -1.80 105.19 99.78 2dw3 n GLY 31 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 2dw3 n GLY 31 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2dw3 h TRP 32 N 0.00 -0.04 -0.95 1.61 5.08 -1.26 -1.81 115.95 118.58 2dw3 h TRP 32 Ca 0.00 -0.00 0.05 0.00 1.08 0.00 0.00 58.89 60.02 2dw3 h TRP 32 Cb 0.00 0.01 -0.06 0.00 -3.00 0.00 0.00 29.16 26.11 2dw3 h TRP 32 CO 0.05 0.62 0.61 0.00 -1.28 0.00 0.00 178.44 178.44 2dw3 h ALA 33 N 0.13 1.29 -0.55 0.11 0.00 -0.89 -0.82 119.26 118.53 2dw3 h ALA 33 Ca -0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2dw3 h ALA 33 Cb 0.68 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2dw3 h ALA 33 CO 0.01 0.42 0.09 0.78 0.00 0.00 0.00 179.25 180.55 2dw3 h GLY 34 N 1.14 0.99 0.99 0.00 0.00 -0.55 0.14 103.07 105.79 2dw3 h GLY 34 Ca 0.40 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2dw3 h GLY 34 CO -0.15 0.61 0.23 -1.33 0.00 0.00 0.00 176.54 175.90 2dw3 h GLY 35 N 0.81 0.51 0.59 4.60 0.00 -0.39 0.33 103.07 109.52 2dw3 h GLY 35 Ca 0.17 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 2dw3 h GLY 35 CO 0.01 0.19 -0.08 -2.08 0.00 0.00 0.00 176.54 174.58 2dw3 h VAL 36 N 0.48 0.95 0.95 4.60 2.07 -1.07 0.41 116.25 124.62 2dw3 h VAL 36 Ca 0.13 -0.80 -0.05 0.00 0.82 0.00 0.00 66.70 66.80 2dw3 h VAL 36 Cb -0.03 1.41 0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2dw3 h VAL 36 CO -0.03 0.18 -0.46 0.15 0.02 0.00 0.00 177.57 177.44 2dw3 h PHE 37 N -0.64 -1.18 -0.22 1.57 3.57 -0.68 0.44 116.94 119.80 2dw3 h PHE 37 Ca -0.02 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 2dw3 h PHE 37 Cb 0.47 0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 2dw3 h PHE 37 CO 0.05 -0.73 0.07 0.35 -2.23 0.00 0.00 178.31 175.82 2dw3 h PHE 38 N -1.28 0.34 0.33 0.41 3.57 -0.45 -1.43 116.94 118.43 2dw3 h PHE 38 Ca -0.13 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.32 2dw3 h PHE 38 Cb 0.98 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.62 2dw3 h PHE 38 CO -0.00 0.40 -0.16 0.78 -2.23 0.00 0.00 178.31 177.10 2dw3 h GLY 39 N 0.19 -0.47 0.06 2.40 0.00 -0.17 -0.55 103.07 104.52 2dw3 h GLY 39 Ca 0.07 0.17 0.05 0.00 0.00 0.00 0.00 47.33 47.62 2dw3 h GLY 39 CO -0.00 -0.17 -0.38 -0.84 0.00 0.00 0.00 176.54 175.15 2dw3 h THR 40 N -0.48 0.20 -0.97 4.70 2.02 -0.21 0.02 112.91 118.20 2dw3 h THR 40 Ca -0.05 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.24 2dw3 h THR 40 Cb 0.34 0.20 -0.08 0.00 -1.74 0.00 0.00 68.15 66.88 2dw3 h THR 40 CO 0.07 0.00 0.62 0.25 0.37 0.00 0.00 175.52 176.83 2dw3 h LEU 41 N -0.44 0.90 -0.51 2.58 5.85 -1.34 0.21 115.31 122.56 2dw3 h LEU 41 Ca 0.09 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 2dw3 h LEU 41 Cb 0.59 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 2dw3 h LEU 41 CO -0.39 0.51 0.03 0.25 -0.34 0.00 0.00 178.44 178.50 2dw3 h LEU 42 N 0.98 0.86 0.13 2.25 7.12 -0.08 0.12 115.31 126.69 2dw3 h LEU 42 Ca 0.46 -0.29 -0.01 0.00 0.13 0.00 0.00 57.88 58.17 2dw3 h LEU 42 Cb 0.42 -0.23 0.00 0.00 -0.53 0.00 0.00 40.66 40.33 2dw3 h LEU 42 CO -0.22 0.94 -0.06 -0.07 -0.13 0.00 0.00 178.44 178.89 2dw3 h LEU 43 N 0.75 -0.15 -0.44 2.25 4.07 -0.01 0.12 115.31 121.90 2dw3 h LEU 43 Ca 0.15 -0.25 -0.02 0.00 0.08 0.00 0.00 57.88 57.84 2dw3 h LEU 43 Cb 0.48 0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.24 2dw3 h LEU 43 CO 0.02 0.17 0.18 0.16 -1.08 0.00 0.00 178.44 177.90 2dw3 h ILE 44 N -0.49 1.20 -0.63 1.22 3.07 -1.00 -0.93 117.51 119.94 2dw3 h ILE 44 Ca -0.02 -0.60 -0.03 0.00 1.55 0.00 0.00 64.86 65.76 2dw3 h ILE 44 Cb 0.39 0.77 -0.03 0.00 -0.27 0.00 0.00 36.82 37.69 2dw3 h ILE 44 CO 0.03 0.22 0.27 1.23 -1.05 0.00 0.00 178.15 178.85 2dw3 h GLY 45 N 0.57 1.00 0.85 0.16 0.00 -0.76 0.29 103.07 105.18 2dw3 h GLY 45 Ca 0.15 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 2dw3 h GLY 45 CO -0.01 0.50 0.02 -2.75 0.00 0.00 0.00 176.54 174.30 2dw3 h PHE 46 N 0.88 0.09 0.00 5.60 3.57 -0.57 -1.05 116.94 125.46 2dw3 h PHE 46 Ca 0.21 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.63 2dw3 h PHE 46 Cb 0.18 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 2dw3 h PHE 46 CO 0.01 0.22 -0.36 0.74 -2.23 0.00 0.00 178.31 176.69 2dw3 h PHE 47 N -0.07 0.00 -0.01 0.41 -1.00 -1.06 0.65 116.94 115.87 2dw3 h PHE 47 Ca 0.02 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.80 2dw3 h PHE 47 Cb 0.17 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.73 2dw3 h PHE 47 CO -0.02 0.36 -0.00 -0.09 -1.61 0.00 0.00 178.31 176.95 2dw3 h ARG 48 N 0.00 0.01 0.02 1.51 9.65 -0.07 0.72 114.38 126.22 2dw3 h ARG 48 Ca -0.00 -0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2dw3 h ARG 48 Cb 0.64 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 2dw3 h ARG 48 CO 0.05 0.35 -0.01 -0.24 2.80 0.00 0.00 179.97 182.91 2dw3 h VAL 49 N -0.32 1.42 -0.21 0.20 3.04 -1.08 -1.76 116.25 117.53 2dw3 h VAL 49 Ca 0.00 -1.40 -0.05 0.00 -1.01 0.00 0.00 66.70 64.25 2dw3 h VAL 49 Cb 0.34 2.35 -0.01 0.00 -2.01 0.00 0.00 31.29 31.97 2dw3 h VAL 49 CO 0.00 0.36 -0.04 0.58 -1.01 0.00 0.00 177.57 177.45 2dw3 h VAL 50 N -0.64 1.28 -0.08 1.51 2.07 -0.96 -1.15 116.25 118.28 2dw3 h VAL 50 Ca -0.00 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 2dw3 h VAL 50 Cb 0.60 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 2dw3 h VAL 50 CO 0.00 0.31 -0.05 1.23 0.02 0.00 0.00 177.57 179.08 2dw3 h GLY 51 N 0.14 0.13 1.93 2.17 0.00 0.37 -1.36 103.07 106.44 2dw3 h GLY 51 Ca 0.06 -0.06 -0.15 0.00 0.00 0.00 0.00 47.33 47.17 2dw3 h GLY 51 CO 0.02 0.06 -0.77 3.21 0.00 0.00 0.00 176.54 179.06 2dw3 h ARG 52 N 0.12 0.00 0.00 4.80 3.08 -1.15 -3.25 114.38 117.97 2dw3 h ARG 52 Ca 0.03 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.94 2dw3 h ARG 52 Cb 0.17 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 2dw3 h ARG 52 CO 0.01 0.69 -0.66 1.98 -1.07 0.00 0.00 179.97 180.91 2dw3 h MET 53 N 0.00 0.00 -0.54 0.04 4.05 -0.36 -3.34 114.93 114.79 2dw3 h MET 53 Ca -0.02 0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.46 2dw3 h MET 53 Cb 1.56 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 32.27 2dw3 h MET 53 CO 0.09 0.66 -0.55 -0.07 0.23 0.00 0.00 176.91 177.27 2dw3 h LEU 54 N 0.00 -1.88 -8.01 3.39 3.38 -1.32 -3.26 115.31 107.61 2dw3 h LEU 54 Ca -0.01 0.26 -0.31 0.00 0.09 0.00 0.00 57.88 57.91 2dw3 h LEU 54 Cb 1.35 0.79 -0.04 0.00 0.09 0.00 0.00 40.66 42.85 2dw3 h LEU 54 CO 0.09 -0.37 0.98 -2.16 0.09 0.00 0.00 178.44 177.07 2dw3 s PRO 55 N -5.64 2.43 0.00 1.13 0.04 -1.25 -3.72 135.00 127.99 2dw3 s PRO 55 Ca -0.14 -1.03 0.00 0.00 0.04 0.00 0.00 61.00 59.87 2dw3 s PRO 55 Cb 0.09 -5.21 0.00 0.00 0.04 0.00 0.00 34.50 29.43 2dw3 s PRO 55 CO 0.62 -4.00 0.00 1.51 0.04 0.00 0.00 177.00 175.17 2dw3 n ILE 56 N 7.88 0.00 0.00 0.56 0.13 -1.23 -5.01 119.36 121.69 2dw3 n ILE 56 Ca 0.44 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 62.09 2dw3 n ILE 56 Cb 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.27 2dw3 n ILE 56 CO 0.00 0.00 0.00 1.67 2.80 0.00 0.00 176.55 181.02 2dw3 n GLN 57 N -0.27 0.00 0.23 9.51 7.27 -1.24 -4.66 117.38 128.20 2dw3 n GLN 57 Ca 0.00 0.00 0.16 0.00 0.07 0.00 0.00 57.00 57.23 2dw3 n GLN 57 Cb 0.00 0.00 0.77 0.00 2.41 0.00 0.00 30.24 33.42 2dw3 n GLN 57 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 2dw3 h GLU 58 N 0.00 0.00 0.00 3.69 4.22 -1.92 -3.17 114.58 117.41 2dw3 h GLU 58 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2dw3 h GLU 58 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2dw3 h GLU 58 CO 0.00 0.00 0.00 -1.71 -2.18 0.00 0.00 179.01 175.12 2dw3 n ASN 59 N -2.63 0.03 -0.87 1.04 2.85 -1.26 -5.10 115.26 109.31 2dw3 n ASN 59 Ca -0.01 -0.42 0.00 0.00 -0.11 0.00 0.00 54.58 54.04 2dw3 n ASN 59 Cb 0.13 0.04 0.00 0.00 1.24 0.00 0.00 39.78 41.20 2dw3 n ASN 59 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2dw3 n GLN 60 N -0.04 2.18 -0.02 1.20 1.13 -1.20 -4.99 117.38 115.63 2dw3 n GLN 60 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2dw3 n GLN 60 Cb 0.09 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.44 2dw3 n GLN 60 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2dw3 n ALA 61 N -3.00 -2.38 0.29 -1.58 0.00 -1.26 -4.63 120.51 107.95 2dw3 n ALA 61 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 2dw3 n ALA 61 Cb 0.00 -0.40 0.67 0.00 0.00 0.00 0.00 19.45 19.72 2dw3 n ALA 61 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2dw3 h PRO 62 N 0.00 0.00 0.21 0.00 0.13 -1.97 -3.27 132.00 127.10 2dw3 h PRO 62 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2dw3 h PRO 62 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2dw3 h PRO 62 CO 0.00 0.00 -0.10 0.00 -0.23 0.00 0.00 178.00 177.67 2dw3 h ALA 63 N 2.09 -0.38 -2.54 -0.56 0.00 -1.94 -2.94 119.26 113.00 2dw3 h ALA 63 Ca 0.00 -0.06 -0.53 0.00 0.00 0.00 0.00 54.91 54.32 2dw3 h ALA 63 Cb 0.21 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2dw3 h ALA 63 CO 0.00 -0.36 0.51 -1.25 0.00 0.00 0.00 179.25 178.15 2dw3 s PRO 64 N -2.48 4.50 0.00 0.00 0.04 -1.23 -1.23 135.00 134.60 2dw3 s PRO 64 Ca -0.04 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.71 2dw3 s PRO 64 Cb 0.00 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.21 2dw3 s PRO 64 CO 0.12 -0.11 0.00 0.09 0.04 0.00 0.00 177.00 177.14 2dw3 n ASN 65 N 3.34 0.00 0.16 6.66 4.13 -1.26 -4.48 115.26 123.82 2dw3 n ASN 65 Ca 0.06 0.00 0.01 0.00 1.68 0.00 0.00 54.58 56.33 2dw3 n ASN 65 Cb 0.47 0.00 0.27 0.00 -1.54 0.00 0.00 39.78 38.97 2dw3 n ASN 65 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 2dw3 h ILE 66 N 0.00 1.34 0.00 2.41 1.08 -1.72 -3.48 117.51 117.14 2dw3 h ILE 66 Ca 0.00 -1.71 0.00 0.00 -0.39 0.00 0.00 64.86 62.76 2dw3 h ILE 66 Cb 0.00 1.93 0.00 0.00 -3.07 0.00 0.00 36.82 35.68 2dw3 h ILE 66 CO 0.00 0.48 0.00 0.35 -0.69 0.00 0.00 178.15 178.29 2dw3 n THR 67 N -3.92 0.00 0.00 -0.27 -2.24 -1.11 -4.98 114.28 101.76 2dw3 n THR 67 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2dw3 n THR 67 Cb 0.51 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 2dw3 n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dw3 n GLY 68 N 0.00 1.06 0.53 3.38 0.00 -0.37 -4.84 105.19 104.96 2dw3 n GLY 68 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2dw3 n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dw3 n ALA 69 N 2.86 -2.40 -0.15 4.61 0.00 -1.26 -4.94 120.51 119.24 2dw3 n ALA 69 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2dw3 n ALA 69 Cb 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 19.45 19.17 2dw3 n ALA 69 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2dw3 h LEU 70 N 0.00 0.79 0.00 0.00 3.38 -2.03 -3.46 115.31 113.99 2dw3 h LEU 70 Ca 0.00 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2dw3 h LEU 70 Cb 0.00 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.54 2dw3 h LEU 70 CO 0.00 0.94 0.00 -1.84 0.09 0.00 0.00 178.44 177.63 2dw3 n GLU 71 N -4.35 0.00 -1.54 1.13 -0.00 -1.26 -5.07 120.64 109.55 2dw3 n GLU 71 Ca -0.01 0.00 -0.14 0.00 -0.00 0.00 0.00 57.16 57.02 2dw3 n GLU 71 Cb 0.34 0.00 -0.09 0.00 -0.00 0.00 0.00 31.44 31.68 2dw3 n GLU 71 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2dw3 n HIS 72 N -0.60 0.97 -2.51 -1.84 8.25 -1.26 -4.90 115.22 113.34 2dw3 n HIS 72 Ca 0.00 -0.04 -0.23 0.00 -0.26 0.00 0.00 57.72 57.18 2dw3 n HIS 72 Cb 0.00 -2.36 0.08 0.00 1.12 0.00 0.00 29.99 28.83 2dw3 n HIS 72 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2dw3 s HIS 73 N 13.57 2.27 -0.30 4.41 3.76 -1.26 -5.02 115.29 132.73 2dw3 s HIS 73 Ca 0.92 -0.03 0.07 0.00 -0.15 0.00 0.00 55.06 55.88 2dw3 s HIS 73 Cb -0.18 -2.99 0.45 0.00 1.11 0.00 0.00 32.58 30.97 2dw3 s HIS 73 CO 0.15 -1.40 1.26 1.58 -0.85 0.00 0.00 174.74 175.48 2dw3 n HIS 74 N -2.71 2.13 0.07 1.40 -0.00 -1.26 -4.78 115.22 110.07 2dw3 n HIS 74 Ca 0.11 -2.09 -0.11 0.00 0.46 0.00 0.00 57.72 56.10 2dw3 n HIS 74 Cb 0.60 -0.39 -0.07 0.00 -0.12 0.00 0.00 29.99 30.01 2dw3 n HIS 74 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2dw3 h HIS 75 N 1.87 -0.24 -3.37 1.57 6.17 -1.98 -3.50 115.15 115.66 2dw3 h HIS 75 Ca 0.30 -0.01 0.09 0.00 0.71 0.00 0.00 60.37 61.46 2dw3 h HIS 75 Cb 1.40 0.08 -0.05 0.00 2.52 0.00 0.00 27.41 31.36 2dw3 h HIS 75 CO 0.88 0.16 -0.97 0.72 0.71 0.00 0.00 177.93 179.42 2dw3 n HIS 76 N -4.96 -3.84 -0.63 5.26 8.25 -1.26 -5.35 115.22 112.68 2dw3 n HIS 76 Ca -0.08 2.09 0.00 0.00 -0.26 0.00 0.00 57.72 59.48 2dw3 n HIS 76 Cb 0.26 -3.33 0.00 0.00 1.12 0.00 0.00 29.99 28.04 2dw3 n HIS 76 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70