#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdi h LEU 3 N 0.00 0.79 0.53 3.14 6.46 -2.07 -1.37 115.31 122.79 2wdi h LEU 3 Ca 0.00 -0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.73 2wdi h LEU 3 Cb 0.00 -0.17 0.01 0.00 -0.73 0.00 0.00 40.66 39.76 2wdi h LEU 3 CO 0.00 0.52 -0.26 -1.28 -0.62 0.00 0.00 178.44 176.81 2wdi h SER 4 N 0.90 -0.60 -0.17 1.25 0.87 -2.06 -2.29 113.55 111.44 2wdi h SER 4 Ca 0.33 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.95 2wdi h SER 4 Cb 0.16 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 2wdi h SER 4 CO -0.11 -0.41 0.26 -0.33 -0.53 0.00 0.00 176.83 175.71 2wdi h GLU 5 N -0.74 0.00 -0.01 2.24 5.08 -1.86 -2.72 114.58 116.57 2wdi h GLU 5 Ca -0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2wdi h GLU 5 Cb 0.56 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2wdi h GLU 5 CO 0.12 0.00 -0.01 0.28 -1.00 0.00 0.00 179.01 178.40 2wdi h VAL 6 N 0.00 1.37 -0.36 3.13 2.07 -0.67 -2.48 116.25 119.31 2wdi h VAL 6 Ca 0.08 -1.12 0.02 0.00 0.82 0.00 0.00 66.70 66.50 2wdi h VAL 6 Cb 0.60 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.46 2wdi h VAL 6 CO -0.00 0.29 0.24 0.08 0.02 0.00 0.00 177.57 178.20 2wdi h ARG 7 N -0.43 0.40 0.00 1.57 0.11 -1.43 -2.75 114.38 111.85 2wdi h ARG 7 Ca 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 2wdi h ARG 7 Cb 0.49 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.48 2wdi h ARG 7 CO 0.00 0.26 0.00 1.63 0.10 0.00 0.00 179.97 181.97 2wdi n LYS 8 N -4.49 0.00 -0.18 0.08 5.02 -1.21 -1.48 118.16 115.91 2wdi n LYS 8 Ca 0.03 0.46 0.05 0.00 -2.02 0.00 0.00 58.31 56.83 2wdi n LYS 8 Cb 0.13 -1.42 0.11 0.00 -0.02 0.00 0.00 35.03 33.83 2wdi n LYS 8 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2wdi n GLN 9 N -1.89 -0.04 0.18 1.97 6.02 -0.94 0.18 117.38 122.87 2wdi n GLN 9 Ca 0.00 0.76 -0.14 0.00 -0.01 0.00 0.00 57.00 57.61 2wdi n GLN 9 Cb 0.00 -1.17 -0.08 0.00 1.02 0.00 0.00 30.24 30.01 2wdi n GLN 9 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2wdi h LEU 10 N 0.00 -0.37 -0.63 1.08 3.38 -1.42 0.32 115.31 117.67 2wdi h LEU 10 Ca 0.27 -0.11 0.13 0.00 0.09 0.00 0.00 57.88 58.26 2wdi h LEU 10 Cb 0.49 0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.23 2wdi h LEU 10 CO -0.49 -0.10 0.03 -0.33 0.09 0.00 0.00 178.44 177.64 2wdi h GLU 11 N -0.63 0.14 0.86 1.13 5.08 0.31 2.56 114.58 124.03 2wdi h GLU 11 Ca -0.04 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2wdi h GLU 11 Cb 0.45 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.68 2wdi h GLU 11 CO 0.07 0.09 -0.41 0.93 -1.00 0.00 0.00 179.01 178.69 2wdi h GLU 12 N 0.14 -1.12 -0.49 2.33 5.08 -0.80 -3.06 114.58 116.66 2wdi h GLU 12 Ca 0.33 0.08 0.08 0.00 -1.00 0.00 0.00 59.36 58.85 2wdi h GLU 12 Cb 0.54 0.25 -0.10 0.00 0.50 0.00 0.00 28.75 29.95 2wdi h GLU 12 CO -0.52 -0.74 -0.38 0.00 -1.00 0.00 0.00 179.01 176.36 2wdi h ALA 13 N -1.46 -0.26 0.00 3.43 0.00 0.76 0.12 119.26 121.85 2wdi h ALA 13 Ca -0.12 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wdi h ALA 13 Cb 0.89 0.84 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2wdi h ALA 13 CO 0.19 -0.78 0.13 0.54 0.00 0.00 0.00 179.25 179.33 2wdi n ARG 14 N -5.42 0.00 -1.84 0.00 5.12 0.85 -0.73 116.66 114.64 2wdi n ARG 14 Ca 0.01 0.08 0.02 0.00 -1.93 0.00 0.00 57.85 56.04 2wdi n ARG 14 Cb 0.35 -1.63 0.03 0.00 -1.16 0.00 0.00 32.46 30.05 2wdi n ARG 14 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 2wdi n LYS 15 N -0.90 0.47 -2.05 5.56 2.85 0.40 -4.95 118.16 119.54 2wdi n LYS 15 Ca 0.00 -2.31 -0.30 0.00 -1.05 0.00 0.00 58.31 54.65 2wdi n LYS 15 Cb 0.13 -0.37 0.03 0.00 -0.65 0.00 0.00 35.03 34.16 2wdi n LYS 15 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2wdi n LEU 16 N 0.15 5.81 -1.26 -5.58 4.77 0.09 -5.06 117.00 115.92 2wdi n LEU 16 Ca 0.04 -4.86 0.14 0.00 -0.03 0.00 0.00 56.01 51.30 2wdi n LEU 16 Cb 1.03 -0.63 -0.07 0.00 -2.33 0.00 0.00 43.42 41.43 2wdi n LEU 16 CO -0.02 1.98 -0.45 -0.24 -1.33 0.00 0.00 177.39 177.33 2wdi n SER 17 N -0.63 -6.48 -0.07 -1.43 2.88 -1.26 -2.58 113.62 104.05 2wdi n SER 17 Ca 0.47 1.02 -0.14 0.00 -1.33 0.00 0.00 58.87 58.90 2wdi n SER 17 Cb 0.67 -4.19 -0.11 0.00 -0.75 0.00 0.00 64.21 59.83 2wdi n SER 17 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2wdi h PRO 18 N -1.35 0.00 -0.65 -1.46 0.13 -1.97 -3.07 132.00 123.64 2wdi h PRO 18 Ca -0.12 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.96 2wdi h PRO 18 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 2wdi h PRO 18 CO 0.05 0.87 0.22 0.28 -0.23 0.00 0.00 178.00 179.19 2wdi h VAL 19 N -1.00 1.25 -0.79 1.56 2.07 -2.00 -1.43 116.25 115.90 2wdi h VAL 19 Ca -0.06 -0.82 0.11 0.00 0.82 0.00 0.00 66.70 66.75 2wdi h VAL 19 Cb 0.93 0.56 -0.08 0.00 -1.52 0.00 0.00 31.29 31.18 2wdi h VAL 19 CO -0.03 0.32 0.41 -0.08 0.02 0.00 0.00 177.57 178.21 2wdi h GLU 20 N 0.93 0.65 -0.11 1.57 4.57 -1.71 -1.65 114.58 118.83 2wdi h GLU 20 Ca 0.21 -0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.38 2wdi h GLU 20 Cb 0.27 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.68 2wdi h GLU 20 CO -0.01 0.43 -0.05 -0.07 -1.18 0.00 0.00 179.01 178.13 2wdi h LEU 21 N 0.67 -0.15 0.02 1.64 3.38 -1.01 -2.95 115.31 116.91 2wdi h LEU 21 Ca 0.40 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.43 2wdi h LEU 21 Cb 0.45 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 2wdi h LEU 21 CO -0.29 -0.06 -0.19 -0.33 0.09 0.00 0.00 178.44 177.66 2wdi h GLU 22 N -0.03 -0.30 -0.94 1.13 5.08 -0.78 -1.92 114.58 116.82 2wdi h GLU 22 Ca 0.06 0.02 0.23 0.00 -1.00 0.00 0.00 59.36 58.67 2wdi h GLU 22 Cb 0.12 0.07 -0.17 0.00 0.50 0.00 0.00 28.75 29.26 2wdi h GLU 22 CO -0.13 -0.20 -0.06 0.87 -1.00 0.00 0.00 179.01 178.49 2wdi h LYS 23 N -0.32 0.02 0.47 2.33 1.57 -1.17 -0.06 116.57 119.42 2wdi h LYS 23 Ca 0.05 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2wdi h LYS 23 Cb 0.38 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 2wdi h LYS 23 CO -0.16 0.02 -0.28 1.25 -0.57 0.00 0.00 179.45 179.70 2wdi h LEU 24 N 0.02 -0.70 -0.76 2.94 5.85 -1.20 -3.16 115.31 118.30 2wdi h LEU 24 Ca 0.52 0.04 0.17 0.00 0.84 0.00 0.00 57.88 59.45 2wdi h LEU 24 Cb 0.98 0.20 -0.11 0.00 0.37 0.00 0.00 40.66 42.10 2wdi h LEU 24 CO -0.90 -0.45 0.21 0.58 -0.34 0.00 0.00 178.44 177.54 2wdi h VAL 25 N -0.71 0.51 -0.09 1.05 2.07 -0.45 0.15 116.25 118.78 2wdi h VAL 25 Ca -0.05 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.40 2wdi h VAL 25 Cb 0.58 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 2wdi h VAL 25 CO 0.06 0.05 -0.20 0.03 0.02 0.00 0.00 177.57 177.53 2wdi h ARG 26 N 0.29 -0.27 -0.94 1.57 3.08 -1.41 0.60 114.38 117.30 2wdi h ARG 26 Ca 0.44 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.50 2wdi h ARG 26 Cb 0.76 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.83 2wdi h ARG 26 CO -0.52 -0.18 0.57 0.93 -1.07 0.00 0.00 179.97 179.71 2wdi h GLU 27 N -0.28 1.27 -0.75 0.04 5.08 -1.24 0.41 114.58 119.10 2wdi h GLU 27 Ca 0.09 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2wdi h GLU 27 Cb 0.40 -0.27 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 2wdi h GLU 27 CO -0.25 0.88 0.50 0.87 -1.00 0.00 0.00 179.01 180.01 2wdi h LYS 28 N 1.29 0.97 -0.00 2.33 1.79 0.69 0.08 116.57 123.72 2wdi h LYS 28 Ca 0.34 -0.06 -0.13 0.00 -2.18 0.00 0.00 60.65 58.61 2wdi h LYS 28 Cb -0.07 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.34 2wdi h LYS 28 CO -0.06 0.64 -0.64 0.87 -1.08 0.00 0.00 179.45 179.18 2wdi h LYS 29 N 1.00 0.01 -0.22 3.15 1.79 0.21 -2.34 116.57 120.18 2wdi h LYS 29 Ca 0.28 -0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.63 2wdi h LYS 29 Cb -0.09 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.55 2wdi h LYS 29 CO -0.06 0.65 -0.34 -0.09 -1.08 0.00 0.00 179.45 178.52 2wdi h ARG 30 N 0.01 0.46 -0.07 3.15 2.43 0.15 -1.90 114.38 118.62 2wdi h ARG 30 Ca -0.01 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 58.94 2wdi h ARG 30 Cb 1.13 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.67 2wdi h ARG 30 CO 0.08 0.75 -0.04 0.93 -1.51 0.00 0.00 179.97 180.18 2wdi h GLU 31 N 0.40 0.15 -0.82 0.20 5.08 -0.91 -2.41 114.58 116.25 2wdi h GLU 31 Ca 0.05 -0.07 0.12 0.00 -1.00 0.00 0.00 59.36 58.46 2wdi h GLU 31 Cb 0.79 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.95 2wdi h GLU 31 CO 0.06 0.54 0.44 1.25 -1.00 0.00 0.00 179.01 180.30 2wdi h LEU 32 N -0.24 0.58 -1.44 1.33 6.46 -1.37 0.98 115.31 121.61 2wdi h LEU 32 Ca 0.01 0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 57.80 2wdi h LEU 32 Cb 0.50 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.38 2wdi h LEU 32 CO 0.01 0.29 -0.07 -0.03 -0.62 0.00 0.00 178.44 178.03 2wdi h MET 33 N 0.69 0.28 -0.19 1.25 4.05 -1.18 -2.12 114.93 117.72 2wdi h MET 33 Ca 0.42 -0.05 -0.10 0.00 -0.28 0.00 0.00 59.70 59.69 2wdi h MET 33 Cb 0.50 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.26 2wdi h MET 33 CO -0.30 0.37 -0.28 1.49 0.23 0.00 0.00 176.91 178.41 2wdi h GLU 34 N 0.27 0.52 -0.37 0.39 4.57 -0.36 -2.69 114.58 116.91 2wdi h GLU 34 Ca 0.06 -0.31 0.04 0.00 -1.18 0.00 0.00 59.36 57.97 2wdi h GLU 34 Cb 0.30 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.88 2wdi h GLU 34 CO 0.01 0.91 0.13 -0.07 -1.18 0.00 0.00 179.01 178.81 2wdi h LEU 35 N 0.18 0.13 -0.49 1.64 3.38 -0.79 -1.27 115.31 118.09 2wdi h LEU 35 Ca 0.02 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.11 2wdi h LEU 35 Cb 0.86 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.58 2wdi h LEU 35 CO 0.07 0.11 0.12 0.03 0.09 0.00 0.00 178.44 178.86 2wdi h ARG 36 N 0.28 0.26 0.00 1.13 3.08 -1.36 0.89 114.38 118.66 2wdi h ARG 36 Ca 0.17 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2wdi h ARG 36 Cb 0.15 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2wdi h ARG 36 CO -0.18 0.17 0.00 1.19 -1.07 0.00 0.00 179.97 180.09 2wdi n PHE 37 N -5.08 0.00 -0.00 3.04 3.01 -0.51 -0.45 117.46 117.47 2wdi n PHE 37 Ca 0.05 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.51 2wdi n PHE 37 Cb 0.23 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.70 2wdi n PHE 37 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 2wdi n GLN 38 N -0.93 1.12 0.06 -1.08 6.02 0.14 -4.17 117.38 118.55 2wdi n GLN 38 Ca 0.03 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.06 2wdi n GLN 38 Cb 0.01 -1.02 0.45 0.00 1.02 0.00 0.00 30.24 30.71 2wdi n GLN 38 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wdi h ALA 39 N 0.01 1.71 -1.79 -1.58 0.00 0.20 -1.56 119.26 116.25 2wdi h ALA 39 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2wdi h ALA 39 Cb 1.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2wdi h ALA 39 CO -0.00 0.25 0.00 -1.13 0.00 0.00 0.00 179.25 178.36 2wdi n SER 40 N -4.45 0.00 0.00 0.00 3.41 0.40 -2.79 113.62 110.19 2wdi n SER 40 Ca 0.01 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 2wdi n SER 40 Cb 0.11 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 2wdi n SER 40 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2wdi n ILE 41 N -1.11 0.55 -0.12 -1.33 -5.35 -1.22 -4.77 119.36 106.01 2wdi n ILE 41 Ca 0.00 0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.88 2wdi n ILE 41 Cb 0.00 -1.40 0.00 0.00 -1.74 0.00 0.00 39.64 36.50 2wdi n ILE 41 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wdi n GLY 42 N -1.07 3.55 0.04 3.28 0.00 -0.59 -4.64 105.19 105.76 2wdi n GLY 42 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2wdi n GLY 42 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2wdi n GLN 43 N 13.97 -0.01 0.00 1.61 -0.06 -1.26 -3.87 117.38 127.75 2wdi n GLN 43 Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2wdi n GLN 43 Cb 0.00 0.01 0.00 0.00 -4.06 0.00 0.00 30.24 26.19 2wdi n GLN 43 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 2wdi n LEU 44 N -0.01 0.00 -3.61 1.69 -0.00 -1.26 -5.12 117.00 108.68 2wdi n LEU 44 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.99 2wdi n LEU 44 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.41 2wdi n LEU 44 CO 0.00 0.00 0.96 -0.55 -0.00 0.00 0.00 177.39 177.80 2wdi s SER 45 N 0.00 -0.14 -0.27 1.96 0.15 -1.25 -4.52 113.70 109.63 2wdi s SER 45 Ca 0.00 -0.10 -0.02 0.00 0.70 0.00 0.00 55.95 56.53 2wdi s SER 45 Cb 0.00 0.22 0.09 0.00 -1.71 0.00 0.00 66.02 64.62 2wdi s SER 45 CO 0.00 -0.39 0.08 -1.10 1.20 0.00 0.00 173.24 173.03 2wdi s GLN 46 N -2.61 0.62 0.00 5.44 -1.52 -1.26 -5.01 119.66 115.32 2wdi s GLN 46 Ca 0.11 -0.76 0.00 0.00 -1.95 0.00 0.00 55.36 52.76 2wdi s GLN 46 Cb 0.01 -1.90 0.00 0.00 -0.22 0.00 0.00 33.01 30.90 2wdi s GLN 46 CO -0.04 -0.87 0.00 0.09 -0.25 0.00 0.00 175.29 174.22 2wdi n ASN 47 N 4.98 0.00 0.28 5.90 3.02 -1.26 -1.08 115.26 127.10 2wdi n ASN 47 Ca -0.05 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.51 2wdi n ASN 47 Cb 0.44 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.66 2wdi n ASN 47 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 2wdi h HIS 48 N 0.00 0.00 0.00 3.10 2.07 -1.99 1.21 115.15 119.54 2wdi h HIS 48 Ca 0.00 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.50 2wdi h HIS 48 Cb 0.00 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 29.98 2wdi h HIS 48 CO 0.00 0.00 -0.08 0.87 -3.07 0.00 0.00 177.93 175.65 2wdi h LYS 49 N 0.00 0.00 0.00 5.12 1.79 -1.53 -2.38 116.57 119.57 2wdi h LYS 49 Ca 0.00 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.33 2wdi h LYS 49 Cb 1.75 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.38 2wdi h LYS 49 CO 0.00 0.08 -1.08 -0.89 -1.08 0.00 0.00 179.45 176.48 2wdi n ILE 50 N -3.29 1.48 0.73 1.86 5.41 0.42 -2.84 119.36 123.13 2wdi n ILE 50 Ca -0.00 0.05 0.06 0.00 1.00 0.00 0.00 62.75 63.85 2wdi n ILE 50 Cb 0.29 -2.20 0.33 0.00 -0.71 0.00 0.00 39.64 37.35 2wdi n ILE 50 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 2wdi n ARG 51 N -4.49 0.37 -0.11 0.38 1.85 -1.24 0.29 116.66 113.71 2wdi n ARG 51 Ca -0.23 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.40 2wdi n ARG 51 Cb 0.52 -1.47 -0.09 0.00 -1.05 0.00 0.00 32.46 30.37 2wdi n ARG 51 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2wdi n ASP 52 N -0.97 1.91 -0.11 2.89 -0.08 -0.89 -4.10 116.55 115.18 2wdi n ASP 52 Ca 0.08 0.40 -0.12 0.00 -1.51 0.00 0.00 54.79 53.64 2wdi n ASP 52 Cb 0.04 -0.87 -0.03 0.00 2.34 0.00 0.00 41.12 42.60 2wdi n ASP 52 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2wdi h LEU 53 N -1.00 0.67 -0.41 -2.67 6.46 -1.22 -3.04 115.31 114.10 2wdi h LEU 53 Ca -0.44 -0.38 0.04 0.00 -0.12 0.00 0.00 57.88 56.98 2wdi h LEU 53 Cb 1.33 -0.18 -0.05 0.00 -0.73 0.00 0.00 40.66 41.03 2wdi h LEU 53 CO -0.26 0.90 -0.24 0.29 -0.62 0.00 0.00 178.44 178.51 2wdi n LYS 54 N -4.40 -0.18 0.27 1.25 4.76 0.15 0.12 118.16 120.12 2wdi n LYS 54 Ca -0.02 0.98 0.10 0.00 -2.87 0.00 0.00 58.31 56.49 2wdi n LYS 54 Cb 0.36 -1.45 0.70 0.00 -1.84 0.00 0.00 35.03 32.79 2wdi n LYS 54 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wdi h ARG 55 N 0.00 0.00 0.11 1.97 3.08 -1.70 -2.65 114.38 115.18 2wdi h ARG 55 Ca 0.07 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.13 2wdi h ARG 55 Cb 0.17 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 2wdi h ARG 55 CO -0.39 0.02 -0.25 1.96 -1.07 0.00 0.00 179.97 180.24 2wdi h GLN 56 N 0.00 -0.43 -1.00 0.04 4.20 0.10 0.67 115.11 118.69 2wdi h GLN 56 Ca -0.00 0.03 0.22 0.00 0.06 0.00 0.00 58.65 58.96 2wdi h GLN 56 Cb 0.03 0.10 -0.11 0.00 0.30 0.00 0.00 27.48 27.80 2wdi h GLN 56 CO 0.00 -0.29 0.61 0.82 -0.67 0.00 0.00 178.83 179.31 2wdi h ILE 57 N -0.44 0.63 0.87 2.54 1.08 -1.10 0.18 117.51 121.26 2wdi h ILE 57 Ca 0.03 -0.22 -0.04 0.00 -0.39 0.00 0.00 64.86 64.24 2wdi h ILE 57 Cb 0.47 -0.07 0.01 0.00 -3.07 0.00 0.00 36.82 34.16 2wdi h ILE 57 CO -0.15 0.12 -0.42 0.00 -0.69 0.00 0.00 178.15 177.01 2wdi h ALA 58 N 1.67 -1.17 0.11 1.87 0.00 -0.62 -0.54 119.26 120.58 2wdi h ALA 58 Ca 0.60 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 55.26 2wdi h ALA 58 Cb 1.10 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 19.30 2wdi h ALA 58 CO -0.39 -1.09 -0.44 0.00 0.00 0.00 0.00 179.25 177.33 2wdi h ARG 59 N -1.29 -0.61 -0.73 0.00 3.08 0.14 0.32 114.38 115.29 2wdi h ARG 59 Ca -0.12 0.04 0.10 0.00 0.07 0.00 0.00 59.98 60.07 2wdi h ARG 59 Cb 0.90 0.14 -0.12 0.00 0.08 0.00 0.00 29.97 30.97 2wdi h ARG 59 CO 0.20 -0.40 -0.45 -0.07 -1.07 0.00 0.00 179.97 178.17 2wdi h LEU 60 N -0.63 -1.59 -0.37 3.04 3.38 -0.72 0.40 115.31 118.82 2wdi h LEU 60 Ca -0.01 0.27 0.02 0.00 0.09 0.00 0.00 57.88 58.25 2wdi h LEU 60 Cb 0.63 0.74 -0.03 0.00 0.09 0.00 0.00 40.66 42.09 2wdi h LEU 60 CO -0.23 -0.31 0.21 -0.07 0.09 0.00 0.00 178.44 178.13 2wdi h LEU 61 N -0.15 0.34 -1.99 1.67 3.38 -0.84 0.24 115.31 117.96 2wdi h LEU 61 Ca 0.21 0.01 0.30 0.00 0.09 0.00 0.00 57.88 58.49 2wdi h LEU 61 Cb 0.55 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 2wdi h LEU 61 CO -0.79 0.25 0.76 0.74 0.09 0.00 0.00 178.44 179.49 2wdi h THR 62 N 0.43 0.46 0.00 0.22 2.02 0.37 0.54 112.91 116.94 2wdi h THR 62 Ca 0.15 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.31 2wdi h THR 62 Cb 0.02 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 66.89 2wdi h THR 62 CO -0.08 0.00 -0.11 0.58 0.37 0.00 0.00 175.52 176.28 2wdi h VAL 63 N 0.00 1.11 -1.17 3.16 2.07 0.12 -2.57 116.25 118.97 2wdi h VAL 63 Ca 0.50 -1.87 0.35 0.00 0.82 0.00 0.00 66.70 66.49 2wdi h VAL 63 Cb 2.01 2.13 -0.11 0.00 -1.52 0.00 0.00 31.29 33.81 2wdi h VAL 63 CO -0.01 0.38 0.75 0.25 0.02 0.00 0.00 177.57 178.97 2wdi h LEU 64 N -1.00 0.34 0.36 2.57 6.46 0.21 -0.13 115.31 124.13 2wdi h LEU 64 Ca -0.03 0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.82 2wdi h LEU 64 Cb 0.69 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.69 2wdi h LEU 64 CO -0.02 -0.04 -0.17 0.78 -0.62 0.00 0.00 178.44 178.37 2wdi h ASN 65 N 0.24 -0.41 -0.98 1.25 4.21 -0.11 -2.78 115.58 116.99 2wdi h ASN 65 Ca 0.70 0.01 0.39 0.00 1.21 0.00 0.00 56.30 58.61 2wdi h ASN 65 Cb 2.02 0.11 -0.15 0.00 -1.12 0.00 0.00 38.32 39.17 2wdi h ASN 65 CO -0.35 -0.16 0.56 -1.84 -1.29 0.00 0.00 177.43 174.35 2wdi n GLU 66 N -4.06 -0.05 0.25 0.81 0.28 -0.14 -0.65 120.64 117.09 2wdi n GLU 66 Ca -0.06 1.22 -0.10 0.00 -0.16 0.00 0.00 57.16 58.06 2wdi n GLU 66 Cb 0.19 -2.24 -0.05 0.00 1.43 0.00 0.00 31.44 30.77 2wdi n GLU 66 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 2wdi h LYS 67 N 0.00 -0.65 -1.87 3.44 1.79 -1.36 -3.13 116.57 114.79 2wdi h LYS 67 Ca 0.77 0.04 0.54 0.00 -2.18 0.00 0.00 60.65 59.83 2wdi h LYS 67 Cb 2.15 0.15 -0.07 0.00 -1.58 0.00 0.00 32.23 32.87 2wdi h LYS 67 CO -0.64 -0.43 1.41 0.54 -1.08 0.00 0.00 179.45 179.25 2wdi n ARG 68 N -4.63 0.00 -0.47 3.15 5.12 0.17 -2.14 116.66 117.87 2wdi n ARG 68 Ca -0.08 1.08 -0.03 0.00 -1.93 0.00 0.00 57.85 56.88 2wdi n ARG 68 Cb 0.27 -2.52 -0.04 0.00 -1.16 0.00 0.00 32.46 29.00 2wdi n ARG 68 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2wdi n ARG 69 N -3.84 0.93 0.00 5.56 1.74 -1.06 -2.86 116.66 117.14 2wdi n ARG 69 Ca 0.42 -0.26 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 2wdi n ARG 69 Cb 1.97 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 31.98 2wdi n ARG 69 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wdi n GLN 70 N 2.05 0.00 -0.13 5.56 10.64 -0.91 -4.97 117.38 129.63 2wdi n GLN 70 Ca 0.11 0.00 0.07 0.00 -1.83 0.00 0.00 57.00 55.35 2wdi n GLN 70 Cb 0.45 0.00 0.14 0.00 -0.86 0.00 0.00 30.24 29.96 2wdi n GLN 70 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 2wdi n ASN 71 N 0.00 2.74 -0.49 2.61 3.02 -1.16 -5.20 115.26 116.79 2wdi n ASN 71 Ca 0.00 -1.82 0.06 0.00 -0.03 0.00 0.00 54.58 52.79 2wdi n ASN 71 Cb 0.00 -0.17 0.05 0.00 -0.61 0.00 0.00 39.78 39.05 2wdi n ASN 71 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64