#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdn h LEU 3 N 0.00 -0.89 -1.27 3.14 6.46 -2.07 -2.57 115.31 118.11 2wdn h LEU 3 Ca 0.00 0.05 0.46 0.00 -0.12 0.00 0.00 57.88 58.27 2wdn h LEU 3 Cb 0.00 0.25 -0.15 0.00 -0.73 0.00 0.00 40.66 40.03 2wdn h LEU 3 CO 0.00 -0.56 0.78 -1.28 -0.62 0.00 0.00 178.44 176.76 2wdn h SER 4 N -0.90 0.24 0.51 1.25 0.87 -2.07 0.79 113.55 114.23 2wdn h SER 4 Ca -0.08 0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 2wdn h SER 4 Cb 0.72 0.19 0.01 0.00 -0.44 0.00 0.00 62.40 62.88 2wdn h SER 4 CO 0.10 -0.31 -0.25 -0.33 -0.53 0.00 0.00 176.83 175.51 2wdn h GLU 5 N 0.01 -0.66 -0.59 2.24 5.08 -1.93 -3.29 114.58 115.44 2wdn h GLU 5 Ca 0.87 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 59.33 2wdn h GLU 5 Cb 2.65 0.15 -0.07 0.00 0.50 0.00 0.00 28.75 31.98 2wdn h GLU 5 CO -0.56 -0.44 -0.35 0.28 -1.00 0.00 0.00 179.01 176.94 2wdn n VAL 6 N -3.91 -0.40 -0.39 3.13 0.31 0.27 0.53 118.33 117.87 2wdn n VAL 6 Ca -0.09 1.45 0.31 0.00 -0.01 0.00 0.00 64.34 66.01 2wdn n VAL 6 Cb 0.27 -1.79 0.61 0.00 -0.91 0.00 0.00 33.84 32.01 2wdn n VAL 6 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 2wdn h ARG 7 N 0.00 0.20 0.04 5.55 0.11 -1.61 -0.01 114.38 118.66 2wdn h ARG 7 Ca 0.09 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 60.16 2wdn h ARG 7 Cb 0.24 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.28 2wdn h ARG 7 CO -0.56 0.13 -0.02 0.87 0.10 0.00 0.00 179.97 180.49 2wdn h LYS 8 N 0.20 -0.06 -0.91 0.08 1.57 -0.02 -1.65 116.57 115.79 2wdn h LYS 8 Ca 0.70 0.00 0.19 0.00 -1.87 0.00 0.00 60.65 59.67 2wdn h LYS 8 Cb 2.12 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 34.33 2wdn h LYS 8 CO -0.30 0.45 0.48 1.96 -0.57 0.00 0.00 179.45 181.46 2wdn h GLN 9 N -0.60 0.56 0.73 3.15 4.20 -0.88 0.74 115.11 123.03 2wdn h GLN 9 Ca -0.01 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 2wdn h GLN 9 Cb 0.53 -0.13 0.01 0.00 0.30 0.00 0.00 27.48 28.19 2wdn h GLN 9 CO 0.01 0.37 -0.35 -0.07 -0.67 0.00 0.00 178.83 178.12 2wdn h LEU 10 N 0.58 -0.83 -0.58 1.46 3.38 -1.35 0.51 115.31 118.47 2wdn h LEU 10 Ca 0.53 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.62 2wdn h LEU 10 Cb 0.89 0.22 -0.11 0.00 0.09 0.00 0.00 40.66 41.74 2wdn h LEU 10 CO -0.43 -0.55 -0.34 -0.33 0.09 0.00 0.00 178.44 176.89 2wdn h GLU 11 N -1.07 -0.16 -0.23 1.13 5.08 0.18 2.19 114.58 121.71 2wdn h GLU 11 Ca -0.10 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2wdn h GLU 11 Cb 0.77 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 2wdn h GLU 11 CO 0.17 -0.11 0.14 0.93 -1.00 0.00 0.00 179.01 179.14 2wdn h GLU 12 N -0.17 0.30 0.42 2.33 5.08 0.50 -1.02 114.58 122.02 2wdn h GLU 12 Ca 0.23 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2wdn h GLU 12 Cb 0.55 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2wdn h GLU 12 CO -0.67 0.23 -0.20 0.00 -1.00 0.00 0.00 179.01 177.37 2wdn h ALA 13 N 1.06 -0.56 -1.00 3.43 0.00 0.10 -2.60 119.26 119.68 2wdn h ALA 13 Ca 0.08 -0.17 0.36 0.00 0.00 0.00 0.00 54.91 55.19 2wdn h ALA 13 Cb 0.00 0.22 -0.16 0.00 0.00 0.00 0.00 17.79 17.85 2wdn h ALA 13 CO -0.02 -0.73 0.53 0.00 0.00 0.00 0.00 179.25 179.03 2wdn h ARG 14 N -0.75 0.15 -1.09 0.00 2.47 0.37 1.42 114.38 116.96 2wdn h ARG 14 Ca -0.06 -0.01 -0.53 0.00 -1.26 0.00 0.00 59.98 58.12 2wdn h ARG 14 Cb 0.52 -0.03 -0.26 0.00 -1.65 0.00 0.00 29.97 28.55 2wdn h ARG 14 CO 0.09 0.10 0.69 0.36 0.56 0.00 0.00 179.97 181.77 2wdn n LYS 15 N -5.17 2.32 -1.79 0.04 2.85 -0.40 -4.59 118.16 111.40 2wdn n LYS 15 Ca 0.34 -2.74 -0.26 0.00 -1.05 0.00 0.00 58.31 54.61 2wdn n LYS 15 Cb 1.11 -2.07 0.04 0.00 -0.65 0.00 0.00 35.03 33.46 2wdn n LYS 15 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2wdn n LEU 16 N -0.70 5.53 0.00 -5.58 4.77 0.48 -4.98 117.00 116.53 2wdn n LEU 16 Ca 0.53 -4.60 0.00 0.00 -0.03 0.00 0.00 56.01 51.92 2wdn n LEU 16 Cb 0.95 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2wdn n LEU 16 CO 0.63 1.92 0.00 -1.54 -1.33 0.00 0.00 177.39 177.07 2wdn n SER 17 N -0.78 -1.29 0.00 -1.43 3.41 -1.26 -4.01 113.62 108.25 2wdn n SER 17 Ca 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 2wdn n SER 17 Cb 0.89 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.84 2wdn n SER 17 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2wdn n PRO 18 N -0.20 0.00 -0.32 4.33 -0.04 -1.26 -4.54 135.00 132.96 2wdn n PRO 18 Ca 0.00 0.00 0.19 0.00 -0.04 0.00 0.00 63.50 63.65 2wdn n PRO 18 Cb 0.00 -0.45 0.37 0.00 -0.04 0.00 0.00 33.50 33.38 2wdn n PRO 18 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2wdn h VAL 19 N 0.00 0.17 -0.92 0.52 2.07 -2.02 0.52 116.25 116.60 2wdn h VAL 19 Ca 0.00 -0.04 0.21 0.00 0.82 0.00 0.00 66.70 67.68 2wdn h VAL 19 Cb 0.00 0.03 -0.17 0.00 -1.52 0.00 0.00 31.29 29.63 2wdn h VAL 19 CO 0.00 0.02 -0.13 -0.08 0.02 0.00 0.00 177.57 177.40 2wdn h GLU 20 N 0.13 0.02 0.63 1.57 4.57 -1.82 -2.35 114.58 117.32 2wdn h GLU 20 Ca 0.65 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.80 2wdn h GLU 20 Cb 1.44 -0.00 0.01 0.00 -0.16 0.00 0.00 28.75 30.04 2wdn h GLU 20 CO -0.74 0.01 -0.30 -0.07 -1.18 0.00 0.00 179.01 176.73 2wdn h LEU 21 N 0.02 -0.71 -0.75 1.64 3.38 -1.02 -2.49 115.31 115.37 2wdn h LEU 21 Ca 0.48 0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.63 2wdn h LEU 21 Cb 0.83 0.18 -0.14 0.00 0.09 0.00 0.00 40.66 41.62 2wdn h LEU 21 CO -0.90 -0.49 -0.17 -0.62 0.09 0.00 0.00 178.44 176.35 2wdn n GLU 22 N -4.40 -0.07 0.17 1.13 1.02 -0.91 0.17 120.64 117.76 2wdn n GLU 22 Ca -0.10 1.16 -0.14 0.00 -0.02 0.00 0.00 57.16 58.05 2wdn n GLU 22 Cb 0.33 -1.75 -0.08 0.00 -0.02 0.00 0.00 31.44 29.93 2wdn n GLU 22 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2wdn h LYS 23 N 0.00 -0.36 -0.87 3.49 1.57 -1.47 -1.75 116.57 117.19 2wdn h LYS 23 Ca 0.37 0.02 0.12 0.00 -1.87 0.00 0.00 60.65 59.29 2wdn h LYS 23 Cb 0.58 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.89 2wdn h LYS 23 CO -0.76 -0.21 0.50 1.25 -0.57 0.00 0.00 179.45 179.66 2wdn h LEU 24 N -0.41 0.69 0.43 2.94 5.85 0.21 -2.69 115.31 122.34 2wdn h LEU 24 Ca -0.04 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2wdn h LEU 24 Cb 0.31 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.28 2wdn h LEU 24 CO 0.06 0.36 -0.21 0.58 -0.34 0.00 0.00 178.44 178.89 2wdn h VAL 25 N 0.79 0.51 -0.97 1.05 2.07 0.17 -0.17 116.25 119.70 2wdn h VAL 25 Ca 0.44 -0.41 0.30 0.00 0.82 0.00 0.00 66.70 67.85 2wdn h VAL 25 Cb 0.48 0.69 -0.17 0.00 -1.52 0.00 0.00 31.29 30.77 2wdn h VAL 25 CO -0.28 0.07 0.23 0.03 0.02 0.00 0.00 177.57 177.63 2wdn h ARG 26 N -0.84 0.07 0.45 1.57 3.08 -1.10 0.81 114.38 118.41 2wdn h ARG 26 Ca -0.06 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 2wdn h ARG 26 Cb 0.56 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.60 2wdn h ARG 26 CO 0.10 0.04 -0.21 0.93 -1.07 0.00 0.00 179.97 179.76 2wdn h GLU 27 N 0.07 -0.58 -0.92 0.04 5.08 -1.25 -0.15 114.58 116.88 2wdn h GLU 27 Ca 0.66 0.04 0.16 0.00 -1.00 0.00 0.00 59.36 59.22 2wdn h GLU 27 Cb 1.48 0.13 -0.16 0.00 0.50 0.00 0.00 28.75 30.69 2wdn h GLU 27 CO -0.81 -0.38 -0.30 0.87 -1.00 0.00 0.00 179.01 177.38 2wdn h LYS 28 N -0.65 -0.02 -0.68 2.33 1.79 0.15 1.13 116.57 120.62 2wdn h LYS 28 Ca -0.06 0.00 0.14 0.00 -2.18 0.00 0.00 60.65 58.55 2wdn h LYS 28 Cb 0.46 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.02 2wdn h LYS 28 CO 0.10 -0.01 0.17 0.87 -1.08 0.00 0.00 179.45 179.50 2wdn h LYS 29 N -0.02 0.28 -0.89 3.15 1.79 0.52 0.33 116.57 121.73 2wdn h LYS 29 Ca 0.38 -0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.86 2wdn h LYS 29 Cb 0.63 -0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 31.17 2wdn h LYS 29 CO -0.94 0.18 0.59 -0.09 -1.08 0.00 0.00 179.45 178.11 2wdn h ARG 30 N 0.29 1.14 -0.59 3.15 2.43 0.31 -0.95 114.38 120.17 2wdn h ARG 30 Ca 0.37 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.49 2wdn h ARG 30 Cb 0.59 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 2wdn h ARG 30 CO -0.45 0.76 0.39 0.93 -1.51 0.00 0.00 179.97 180.08 2wdn h GLU 31 N 1.18 0.73 0.53 0.20 5.08 0.18 0.45 114.58 122.93 2wdn h GLU 31 Ca 0.34 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.63 2wdn h GLU 31 Cb -0.08 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.01 2wdn h GLU 31 CO -0.09 0.49 -0.25 1.25 -1.00 0.00 0.00 179.01 179.40 2wdn h LEU 32 N 0.76 -0.60 -0.89 1.33 6.46 -0.09 0.63 115.31 122.91 2wdn h LEU 32 Ca 0.22 -0.02 0.10 0.00 -0.12 0.00 0.00 57.88 58.06 2wdn h LEU 32 Cb -0.03 0.15 -0.08 0.00 -0.73 0.00 0.00 40.66 39.98 2wdn h LEU 32 CO -0.05 -0.36 0.52 -0.03 -0.62 0.00 0.00 178.44 177.90 2wdn h MET 33 N -0.81 0.83 -0.36 1.25 4.05 -0.79 0.42 114.93 119.52 2wdn h MET 33 Ca -0.07 -0.05 0.04 0.00 -0.28 0.00 0.00 59.70 59.33 2wdn h MET 33 Cb 0.58 -0.19 -0.04 0.00 -0.80 0.00 0.00 31.60 31.16 2wdn h MET 33 CO 0.12 0.55 0.15 1.49 0.23 0.00 0.00 176.91 179.44 2wdn h GLU 34 N 0.85 0.30 0.68 0.39 4.57 0.50 -2.06 114.58 119.82 2wdn h GLU 34 Ca 0.43 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.56 2wdn h GLU 34 Cb 0.41 -0.07 0.01 0.00 -0.16 0.00 0.00 28.75 28.94 2wdn h GLU 34 CO -0.26 0.20 -0.33 1.25 -1.18 0.00 0.00 179.01 178.69 2wdn h LEU 35 N 0.31 -0.78 -0.72 1.64 6.46 0.28 -3.16 115.31 119.33 2wdn h LEU 35 Ca 0.16 0.03 0.13 0.00 -0.12 0.00 0.00 57.88 58.08 2wdn h LEU 35 Cb 0.12 0.20 -0.13 0.00 -0.73 0.00 0.00 40.66 40.12 2wdn h LEU 35 CO -0.15 -0.51 -0.22 0.54 -0.62 0.00 0.00 178.44 177.48 2wdn n ARG 36 N -4.72 -0.11 0.00 1.25 1.74 0.12 -0.06 116.66 114.89 2wdn n ARG 36 Ca -0.11 1.12 0.00 0.00 -0.77 0.00 0.00 57.85 58.09 2wdn n ARG 36 Cb 0.36 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 2wdn n ARG 36 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2wdn n PHE 37 N -5.14 0.00 -0.35 -1.55 3.01 -0.79 0.46 117.46 113.10 2wdn n PHE 37 Ca 0.10 0.00 0.32 0.00 1.01 0.00 0.00 57.45 58.88 2wdn n PHE 37 Cb 0.34 -0.45 0.67 0.00 -0.01 0.00 0.00 39.48 40.03 2wdn n PHE 37 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 2wdn h GLN 38 N 0.00 0.12 -0.16 -1.08 4.20 -1.21 0.29 115.11 117.28 2wdn h GLN 38 Ca 0.00 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2wdn h GLN 38 Cb 0.00 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2wdn h GLN 38 CO 0.00 0.08 0.04 0.00 -0.67 0.00 0.00 178.83 178.28 2wdn h ALA 39 N 1.47 0.21 0.00 3.87 0.00 0.73 -3.15 119.26 122.39 2wdn h ALA 39 Ca 0.61 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.30 2wdn h ALA 39 Cb 2.12 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.84 2wdn h ALA 39 CO -0.13 -0.16 -0.40 0.66 0.00 0.00 0.00 179.25 179.22 2wdn h SER 40 N 0.07 0.00 0.00 0.00 4.64 0.35 -3.20 113.55 115.41 2wdn h SER 40 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2wdn h SER 40 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2wdn h SER 40 CO -0.00 0.40 0.00 2.30 -0.87 0.00 0.00 176.83 178.66 2wdn n ILE 41 N -3.27 0.00 -2.61 0.95 -5.35 0.17 -4.94 119.36 104.30 2wdn n ILE 41 Ca 0.02 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.50 2wdn n ILE 41 Cb 0.65 -0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.24 2wdn n ILE 41 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wdn n GLY 42 N 0.16 -0.07 3.15 3.28 0.00 -1.21 -4.92 105.19 105.58 2wdn n GLY 42 Ca 0.00 -1.32 -0.35 0.00 0.00 0.00 0.00 46.02 44.35 2wdn n GLY 42 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2wdn n GLN 43 N 1.83 -0.09 -0.01 1.61 -0.06 -1.26 -4.35 117.38 115.06 2wdn n GLN 43 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 57.00 54.99 2wdn n GLN 43 Cb 0.00 -1.30 0.00 0.00 -4.06 0.00 0.00 30.24 24.88 2wdn n GLN 43 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 2wdn n LEU 44 N 1.83 -0.01 -3.64 1.69 4.77 -1.26 -4.84 117.00 115.54 2wdn n LEU 44 Ca 0.01 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.94 2wdn n LEU 44 Cb 0.55 -0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.57 2wdn n LEU 44 CO 0.52 0.00 0.67 -0.94 -1.33 0.00 0.00 177.39 176.31 2wdn s SER 45 N -1.38 -0.53 -0.54 -1.43 1.04 -1.26 -3.96 113.70 105.65 2wdn s SER 45 Ca 0.00 0.89 0.06 0.00 0.48 0.00 0.00 55.95 57.38 2wdn s SER 45 Cb 0.00 1.12 0.21 0.00 0.10 0.00 0.00 66.02 67.45 2wdn s SER 45 CO 0.00 -0.14 0.53 0.00 0.98 0.00 0.00 173.24 174.61 2wdn n GLN 46 N 3.28 1.34 0.00 4.02 1.13 -1.26 -5.06 117.38 120.83 2wdn n GLN 46 Ca -0.17 -3.90 0.00 0.00 -1.94 0.00 0.00 57.00 50.99 2wdn n GLN 46 Cb 0.57 -1.86 0.00 0.00 0.11 0.00 0.00 30.24 29.06 2wdn n GLN 46 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2wdn n ASN 47 N 1.74 0.00 -0.08 1.08 3.02 -1.26 -1.03 115.26 118.73 2wdn n ASN 47 Ca 0.25 0.00 0.26 0.00 -0.03 0.00 0.00 54.58 55.06 2wdn n ASN 47 Cb 0.44 0.00 0.69 0.00 -0.61 0.00 0.00 39.78 40.30 2wdn n ASN 47 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 2wdn h HIS 48 N 0.00 0.00 -0.89 3.10 2.07 -2.00 0.29 115.15 117.72 2wdn h HIS 48 Ca 0.00 0.00 0.21 0.00 -2.85 0.00 0.00 60.37 57.73 2wdn h HIS 48 Cb 0.00 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 29.92 2wdn h HIS 48 CO 0.00 0.00 0.59 0.87 -3.07 0.00 0.00 177.93 176.32 2wdn h LYS 49 N 0.00 0.32 0.00 5.12 1.79 -1.53 -2.67 116.57 119.60 2wdn h LYS 49 Ca 0.35 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.80 2wdn h LYS 49 Cb 1.75 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.33 2wdn h LYS 49 CO -0.00 0.21 -0.00 0.82 -1.08 0.00 0.00 179.45 179.40 2wdn h ILE 50 N 0.33 0.00 -0.26 1.86 2.04 -0.67 -3.26 117.51 117.55 2wdn h ILE 50 Ca 0.46 -0.37 0.07 0.00 1.00 0.00 0.00 64.86 66.02 2wdn h ILE 50 Cb 1.24 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2wdn h ILE 50 CO -0.15 0.00 1.00 0.08 0.00 0.00 0.00 178.15 179.08 2wdn h ARG 51 N -0.37 0.00 0.33 2.37 0.11 -1.62 0.54 114.38 115.74 2wdn h ARG 51 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 2wdn h ARG 51 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.09 2wdn h ARG 51 CO 0.00 0.00 -0.16 -0.44 0.10 0.00 0.00 179.97 179.47 2wdn h ASP 52 N 0.00 -0.37 -0.81 0.08 3.32 -1.58 -2.44 116.42 114.62 2wdn h ASP 52 Ca 0.12 0.01 0.15 0.00 0.02 0.00 0.00 57.03 57.34 2wdn h ASP 52 Cb 2.12 0.10 -0.10 0.00 0.22 0.00 0.00 39.33 41.67 2wdn h ASP 52 CO -0.00 -0.02 0.37 0.25 -1.72 0.00 0.00 179.24 178.12 2wdn h LEU 53 N -0.93 0.40 0.10 1.55 6.46 -0.02 0.37 115.31 123.24 2wdn h LEU 53 Ca -0.04 0.10 0.02 0.00 -0.12 0.00 0.00 57.88 57.84 2wdn h LEU 53 Cb 0.34 0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.28 2wdn h LEU 53 CO 0.07 0.15 -0.32 0.11 -0.62 0.00 0.00 178.44 177.83 2wdn h LYS 54 N 0.52 -0.51 -0.75 1.25 1.79 -1.20 -2.07 116.57 115.60 2wdn h LYS 54 Ca 0.45 0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.93 2wdn h LYS 54 Cb 0.68 0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 31.41 2wdn h LYS 54 CO -0.40 -0.34 0.38 0.00 -1.08 0.00 0.00 179.45 178.01 2wdn h ARG 55 N -0.53 1.08 -0.26 3.15 3.08 -0.75 -2.94 114.38 117.20 2wdn h ARG 55 Ca 0.04 -0.15 0.05 0.00 0.07 0.00 0.00 59.98 59.99 2wdn h ARG 55 Cb 0.57 -0.20 -0.08 0.00 0.08 0.00 0.00 29.97 30.35 2wdn h ARG 55 CO -0.20 0.83 -0.47 1.96 -1.07 0.00 0.00 179.97 181.02 2wdn h GLN 56 N 1.06 -0.43 -0.38 0.04 4.20 0.23 -0.02 115.11 119.81 2wdn h GLN 56 Ca 0.26 0.03 0.05 0.00 0.06 0.00 0.00 58.65 59.05 2wdn h GLN 56 Cb 0.10 0.10 -0.08 0.00 0.30 0.00 0.00 27.48 27.89 2wdn h GLN 56 CO -0.04 -0.29 -0.56 0.82 -0.67 0.00 0.00 178.83 178.10 2wdn h ILE 57 N -0.44 0.00 -0.08 2.54 1.08 -1.28 0.45 117.51 119.77 2wdn h ILE 57 Ca 0.09 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.57 2wdn h ILE 57 Cb 0.62 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.36 2wdn h ILE 57 CO -0.50 0.00 -0.05 0.00 -0.69 0.00 0.00 178.15 176.92 2wdn n ALA 58 N -3.08 -0.05 -0.35 1.87 0.00 -0.50 0.98 120.51 119.38 2wdn n ALA 58 Ca -0.04 0.07 0.16 0.00 0.00 0.00 0.00 53.44 53.63 2wdn n ALA 58 Cb 0.35 0.37 0.36 0.00 0.00 0.00 0.00 19.45 20.52 2wdn n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdn h ARG 59 N 0.00 0.64 0.54 0.00 3.08 0.11 0.71 114.38 119.46 2wdn h ARG 59 Ca 0.01 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 2wdn h ARG 59 Cb 0.03 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 29.94 2wdn h ARG 59 CO -0.08 0.43 -0.26 -0.07 -1.07 0.00 0.00 179.97 178.92 2wdn h LEU 60 N 0.66 -0.61 -0.16 3.04 3.38 0.52 -2.40 115.31 119.75 2wdn h LEU 60 Ca 0.62 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.66 2wdn h LEU 60 Cb 1.08 0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.92 2wdn h LEU 60 CO -0.43 -0.40 -0.32 -0.07 0.09 0.00 0.00 178.44 177.32 2wdn h LEU 61 N -0.80 -0.99 -0.89 1.67 3.38 0.56 -0.36 115.31 117.89 2wdn h LEU 61 Ca -0.07 0.15 0.28 0.00 0.09 0.00 0.00 57.88 58.33 2wdn h LEU 61 Cb 0.55 0.43 -0.16 0.00 0.09 0.00 0.00 40.66 41.56 2wdn h LEU 61 CO 0.12 -0.35 0.15 0.41 0.09 0.00 0.00 178.44 178.86 2wdn n THR 62 N -5.41 -0.37 -0.01 0.22 -1.04 0.24 0.30 114.28 108.21 2wdn n THR 62 Ca -0.03 1.90 -0.12 0.00 -2.04 0.00 0.00 64.05 63.76 2wdn n THR 62 Cb 0.32 -2.87 -0.08 0.00 -1.82 0.00 0.00 70.33 65.89 2wdn n THR 62 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2wdn h VAL 63 N 0.00 1.24 -1.00 12.58 2.07 -0.56 -2.37 116.25 128.20 2wdn h VAL 63 Ca 0.60 -0.71 0.29 0.00 0.82 0.00 0.00 66.70 67.69 2wdn h VAL 63 Cb 1.36 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 32.74 2wdn h VAL 63 CO -0.79 0.19 0.73 0.25 0.02 0.00 0.00 177.57 177.97 2wdn h LEU 64 N -0.21 0.00 0.04 2.57 6.46 0.54 0.19 115.31 124.90 2wdn h LEU 64 Ca 0.01 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2wdn h LEU 64 Cb 0.31 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.24 2wdn h LEU 64 CO 0.00 0.00 -0.02 0.78 -0.62 0.00 0.00 178.44 178.58 2wdn h ASN 65 N 0.00 -0.04 0.00 1.25 4.21 -0.54 0.55 115.58 121.00 2wdn h ASN 65 Ca 0.47 -0.58 0.00 0.00 1.21 0.00 0.00 56.30 57.41 2wdn h ASN 65 Cb 1.92 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 39.13 2wdn h ASN 65 CO -0.00 0.58 0.01 -1.84 -1.29 0.00 0.00 177.43 174.89 2wdn n GLU 66 N -4.81 0.00 -0.06 0.81 0.28 0.52 -1.94 120.64 115.44 2wdn n GLU 66 Ca -0.09 0.37 -0.05 0.00 -0.16 0.00 0.00 57.16 57.23 2wdn n GLU 66 Cb 0.31 -1.51 -0.02 0.00 1.43 0.00 0.00 31.44 31.65 2wdn n GLU 66 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2wdn n LYS 67 N -1.36 0.35 0.31 3.44 4.76 -0.35 -4.36 118.16 120.94 2wdn n LYS 67 Ca 0.00 0.31 0.06 0.00 -2.87 0.00 0.00 58.31 55.81 2wdn n LYS 67 Cb 0.01 -1.30 0.33 0.00 -1.84 0.00 0.00 35.03 32.23 2wdn n LYS 67 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wdn h ARG 68 N -0.72 0.00 -1.32 1.97 2.47 -0.20 -1.58 114.38 115.01 2wdn h ARG 68 Ca 0.00 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.54 2wdn h ARG 68 Cb 0.53 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 28.76 2wdn h ARG 68 CO 0.00 0.00 0.24 0.54 0.56 0.00 0.00 179.97 181.31 2wdn n ARG 69 N -2.55 1.45 0.00 0.04 1.74 -0.96 -4.42 116.66 111.96 2wdn n ARG 69 Ca -0.01 -0.97 0.00 0.00 -0.77 0.00 0.00 57.85 56.10 2wdn n ARG 69 Cb 0.70 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.76 2wdn n ARG 69 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wdn n GLN 70 N 0.34 0.00 -0.02 5.56 10.64 -0.63 -5.05 117.38 128.22 2wdn n GLN 70 Ca 0.19 0.00 0.06 0.00 -1.83 0.00 0.00 57.00 55.42 2wdn n GLN 70 Cb 0.72 0.00 -0.13 0.00 -0.86 0.00 0.00 30.24 29.97 2wdn n GLN 70 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 2wdn n ASN 71 N 0.00 1.11 0.00 2.61 3.02 -0.97 -5.15 115.26 115.88 2wdn n ASN 71 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2wdn n ASN 71 Cb 0.00 1.65 0.00 0.00 -0.61 0.00 0.00 39.78 40.82 2wdn n ASN 71 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64