#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdl n LEU 3 N 0.00 1.95 0.00 3.14 0.00 -1.26 -3.41 117.00 117.42 2wdl n LEU 3 Ca 0.00 0.35 0.04 0.00 0.00 0.00 0.00 56.01 56.40 2wdl n LEU 3 Cb 0.00 -0.86 0.22 0.00 0.00 0.00 0.00 43.42 42.77 2wdl n LEU 3 CO 0.00 0.50 0.53 -0.24 0.00 0.00 0.00 177.39 178.19 2wdl n SER 4 N -4.28 0.00 -0.03 1.96 2.88 -1.26 -0.61 113.62 112.28 2wdl n SER 4 Ca -0.48 0.04 -0.22 0.00 -1.33 0.00 0.00 58.87 56.88 2wdl n SER 4 Cb 0.84 -0.20 -0.13 0.00 -0.75 0.00 0.00 64.21 63.97 2wdl n SER 4 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2wdl h GLU 5 N 0.00 0.18 0.18 -1.46 5.08 -1.99 -3.34 114.58 113.22 2wdl h GLU 5 Ca 0.00 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 2wdl h GLU 5 Cb 0.05 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2wdl h GLU 5 CO 0.00 1.15 -0.09 0.28 -1.00 0.00 0.00 179.01 179.35 2wdl h VAL 6 N -0.30 0.91 -1.02 3.13 2.07 -0.87 0.25 116.25 120.41 2wdl h VAL 6 Ca -0.40 -0.43 0.25 0.00 0.82 0.00 0.00 66.70 66.94 2wdl h VAL 6 Cb 1.78 1.17 -0.10 0.00 -1.52 0.00 0.00 31.29 32.62 2wdl h VAL 6 CO -0.01 0.10 0.64 0.08 0.02 0.00 0.00 177.57 178.40 2wdl h ARG 7 N -0.45 0.46 0.00 1.57 0.11 -1.66 1.24 114.38 115.64 2wdl h ARG 7 Ca -0.02 -0.03 -0.09 0.00 0.10 0.00 0.00 59.98 59.94 2wdl h ARG 7 Cb 0.35 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 31.31 2wdl h ARG 7 CO 0.04 0.31 -0.42 0.87 0.10 0.00 0.00 179.97 180.87 2wdl h LYS 8 N 0.48 0.00 -0.22 0.08 1.57 -1.59 -2.42 116.57 114.46 2wdl h LYS 8 Ca 0.59 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 59.28 2wdl h LYS 8 Cb 1.36 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.66 2wdl h LYS 8 CO -0.33 0.42 -0.22 1.96 -0.57 0.00 0.00 179.45 180.70 2wdl h GLN 9 N 0.00 0.54 0.77 3.15 4.20 0.49 -3.06 115.11 121.21 2wdl h GLN 9 Ca -0.00 -0.29 -0.04 0.00 0.06 0.00 0.00 58.65 58.38 2wdl h GLN 9 Cb 1.28 0.01 0.01 0.00 0.30 0.00 0.00 27.48 29.08 2wdl h GLN 9 CO 0.05 0.87 -0.37 -0.07 -0.67 0.00 0.00 178.83 178.65 2wdl h LEU 10 N 0.23 -0.88 -0.70 1.46 3.38 -0.81 -2.84 115.31 115.14 2wdl h LEU 10 Ca 0.04 0.01 0.21 0.00 0.09 0.00 0.00 57.88 58.23 2wdl h LEU 10 Cb 0.77 0.23 -0.13 0.00 0.09 0.00 0.00 40.66 41.62 2wdl h LEU 10 CO 0.06 -0.54 0.07 -0.62 0.09 0.00 0.00 178.44 177.49 2wdl n GLU 11 N -5.49 -0.05 0.30 1.13 1.02 -0.91 0.20 120.64 116.84 2wdl n GLU 11 Ca -0.14 1.03 -0.12 0.00 -0.02 0.00 0.00 57.16 57.91 2wdl n GLU 11 Cb 0.42 -1.67 -0.06 0.00 -0.02 0.00 0.00 31.44 30.11 2wdl n GLU 11 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2wdl h GLU 12 N 0.00 -0.78 -0.60 3.49 5.08 -1.46 -3.26 114.58 117.05 2wdl h GLU 12 Ca 0.45 0.05 0.12 0.00 -1.00 0.00 0.00 59.36 58.99 2wdl h GLU 12 Cb 0.98 0.18 -0.11 0.00 0.50 0.00 0.00 28.75 30.30 2wdl h GLU 12 CO -0.64 -0.52 -0.06 0.00 -1.00 0.00 0.00 179.01 176.79 2wdl h ALA 13 N -1.25 0.52 -1.49 3.43 0.00 -0.45 0.13 119.26 120.14 2wdl h ALA 13 Ca -0.08 0.20 0.44 0.00 0.00 0.00 0.00 54.91 55.47 2wdl h ALA 13 Cb 0.62 0.37 -0.08 0.00 0.00 0.00 0.00 17.79 18.70 2wdl h ALA 13 CO 0.14 -0.41 1.04 0.00 0.00 0.00 0.00 179.25 180.02 2wdl h ARG 14 N 0.07 0.05 -2.76 0.00 2.47 -0.30 -1.91 114.38 111.99 2wdl h ARG 14 Ca 0.30 -0.00 -0.67 0.00 -1.26 0.00 0.00 59.98 58.35 2wdl h ARG 14 Cb 0.48 -0.01 -0.37 0.00 -1.65 0.00 0.00 29.97 28.42 2wdl h ARG 14 CO -0.55 0.03 -0.16 0.36 0.56 0.00 0.00 179.97 180.21 2wdl n LYS 15 N -4.23 2.89 0.00 0.04 2.85 0.44 -4.79 118.16 115.35 2wdl n LYS 15 Ca 0.35 -4.58 0.00 0.00 -1.05 0.00 0.00 58.31 53.03 2wdl n LYS 15 Cb 1.53 -2.36 0.00 0.00 -0.65 0.00 0.00 35.03 33.55 2wdl n LYS 15 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2wdl n LEU 16 N 1.48 0.00 -1.83 -5.58 4.77 -0.72 -4.94 117.00 110.18 2wdl n LEU 16 Ca 0.26 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 2wdl n LEU 16 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2wdl n LEU 16 CO 0.45 0.02 -0.35 -0.24 -1.33 0.00 0.00 177.39 175.94 2wdl n SER 17 N 0.00 -7.22 -0.04 -1.43 2.88 -1.26 -4.22 113.62 102.33 2wdl n SER 17 Ca 0.00 1.19 -0.01 0.00 -1.33 0.00 0.00 58.87 58.72 2wdl n SER 17 Cb 0.06 -3.95 -0.01 0.00 -0.75 0.00 0.00 64.21 59.56 2wdl n SER 17 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2wdl n PRO 18 N 1.32 -0.04 -0.44 -1.46 -0.04 -1.26 0.71 135.00 133.79 2wdl n PRO 18 Ca 0.00 0.55 0.35 0.00 -0.04 0.00 0.00 63.50 64.36 2wdl n PRO 18 Cb 0.00 -0.82 0.57 0.00 -0.04 0.00 0.00 33.50 33.21 2wdl n PRO 18 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2wdl n VAL 19 N -2.87 -0.11 0.00 0.52 0.31 -1.26 -1.32 118.33 113.60 2wdl n VAL 19 Ca 0.00 1.28 0.00 0.00 -0.01 0.00 0.00 64.34 65.61 2wdl n VAL 19 Cb 0.02 -2.11 0.00 0.00 -0.91 0.00 0.00 33.84 30.84 2wdl n VAL 19 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2wdl n GLU 20 N -3.90 0.00 -0.31 5.55 4.07 0.22 -4.06 120.64 122.21 2wdl n GLU 20 Ca 0.32 0.50 -0.05 0.00 -0.06 0.00 0.00 57.16 57.87 2wdl n GLU 20 Cb 1.35 -1.15 -0.03 0.00 -0.06 0.00 0.00 31.44 31.55 2wdl n GLU 20 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2wdl n LEU 21 N -1.99 -0.68 -0.34 4.31 4.77 -0.44 0.16 117.00 122.79 2wdl n LEU 21 Ca 0.00 1.36 0.20 0.00 -0.03 0.00 0.00 56.01 57.55 2wdl n LEU 21 Cb 0.00 -0.23 0.39 0.00 -2.33 0.00 0.00 43.42 41.25 2wdl n LEU 21 CO 0.00 -1.16 0.89 -0.33 -1.33 0.00 0.00 177.39 175.46 2wdl h GLU 22 N 0.00 0.01 0.67 3.23 5.08 -1.66 0.39 114.58 122.30 2wdl h GLU 22 Ca 0.19 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 2wdl h GLU 22 Cb 0.38 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2wdl h GLU 22 CO -0.74 0.01 -0.36 0.87 -1.00 0.00 0.00 179.01 177.78 2wdl h LYS 23 N 0.01 -0.92 -1.25 2.33 1.57 -0.43 -0.38 116.57 117.52 2wdl h LYS 23 Ca 0.68 0.06 0.36 0.00 -1.87 0.00 0.00 60.65 59.89 2wdl h LYS 23 Cb 1.57 0.21 -0.05 0.00 0.08 0.00 0.00 32.23 34.04 2wdl h LYS 23 CO -0.87 -0.61 0.95 1.25 -0.57 0.00 0.00 179.45 179.60 2wdl h LEU 24 N -0.95 0.00 0.28 2.94 5.85 -0.22 0.28 115.31 123.48 2wdl h LEU 24 Ca -0.09 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 2wdl h LEU 24 Cb 0.75 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.78 2wdl h LEU 24 CO 0.13 0.00 -0.13 0.58 -0.34 0.00 0.00 178.44 178.67 2wdl h VAL 25 N 0.00 0.00 -0.98 1.05 2.07 -0.09 -1.53 116.25 116.78 2wdl h VAL 25 Ca 0.59 -0.69 0.17 0.00 0.82 0.00 0.00 66.70 67.59 2wdl h VAL 25 Cb 2.48 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 32.09 2wdl h VAL 25 CO -0.01 0.00 -0.33 0.03 0.02 0.00 0.00 177.57 177.29 2wdl h ARG 26 N -1.06 -0.01 -0.31 1.57 3.08 0.11 0.98 114.38 118.74 2wdl h ARG 26 Ca -0.04 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.04 2wdl h ARG 26 Cb 0.28 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 2wdl h ARG 26 CO 0.06 -0.00 0.14 0.93 -1.07 0.00 0.00 179.97 180.02 2wdl h GLU 27 N -0.01 0.28 -0.05 0.04 5.08 -0.81 0.17 114.58 119.28 2wdl h GLU 27 Ca 0.39 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.67 2wdl h GLU 27 Cb 0.64 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2wdl h GLU 27 CO -0.99 0.19 -0.29 0.87 -1.00 0.00 0.00 179.01 177.79 2wdl h LYS 28 N 0.29 0.09 0.00 2.33 1.79 0.12 -2.11 116.57 119.09 2wdl h LYS 28 Ca 0.14 -0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.51 2wdl h LYS 28 Cb 0.07 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 2wdl h LYS 28 CO -0.11 0.38 -0.32 0.87 -1.08 0.00 0.00 179.45 179.19 2wdl h LYS 29 N 0.08 0.00 -0.29 3.15 1.79 0.14 -1.43 116.57 120.01 2wdl h LYS 29 Ca 0.01 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.30 2wdl h LYS 29 Cb 0.56 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 2wdl h LYS 29 CO 0.04 0.32 -0.54 -0.09 -1.08 0.00 0.00 179.45 178.10 2wdl h ARG 30 N 0.00 0.88 -0.21 3.15 2.43 -0.32 -2.81 114.38 117.49 2wdl h ARG 30 Ca -0.00 -0.56 -0.05 0.00 -0.81 0.00 0.00 59.98 58.56 2wdl h ARG 30 Cb 1.03 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 2wdl h ARG 30 CO 0.04 1.19 -0.05 0.93 -1.51 0.00 0.00 179.97 180.58 2wdl h GLU 31 N 0.66 0.41 -0.67 0.20 5.08 -1.24 -0.06 114.58 118.96 2wdl h GLU 31 Ca 0.01 -0.15 0.17 0.00 -1.00 0.00 0.00 59.36 58.39 2wdl h GLU 31 Cb 1.15 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 2wdl h GLU 31 CO 0.12 0.65 0.47 1.25 -1.00 0.00 0.00 179.01 180.50 2wdl h LEU 32 N 0.14 0.14 0.39 1.33 6.46 -1.25 0.38 115.31 122.91 2wdl h LEU 32 Ca 0.06 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.81 2wdl h LEU 32 Cb 0.49 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.41 2wdl h LEU 32 CO 0.02 0.07 -0.19 -0.03 -0.62 0.00 0.00 178.44 177.69 2wdl h MET 33 N 0.15 -0.51 -0.36 1.25 4.05 -1.11 -2.09 114.93 116.31 2wdl h MET 33 Ca 0.32 0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.81 2wdl h MET 33 Cb 1.06 0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 31.94 2wdl h MET 33 CO -0.05 -0.21 -0.22 -1.91 0.23 0.00 0.00 176.91 174.75 2wdl n GLU 34 N -5.15 -0.16 -0.25 0.39 4.07 0.92 0.11 120.64 120.57 2wdl n GLU 34 Ca -0.09 0.99 0.22 0.00 -0.06 0.00 0.00 57.16 58.22 2wdl n GLU 34 Cb 0.27 -1.47 0.56 0.00 -0.06 0.00 0.00 31.44 30.74 2wdl n GLU 34 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2wdl h LEU 35 N 0.00 0.33 -0.12 4.31 3.38 -0.49 -1.52 115.31 121.20 2wdl h LEU 35 Ca 0.06 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 2wdl h LEU 35 Cb 0.15 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2wdl h LEU 35 CO -0.34 0.12 -0.36 0.03 0.09 0.00 0.00 178.44 177.97 2wdl h ARG 36 N 0.32 0.46 -0.10 1.13 3.08 0.15 -0.28 114.38 119.12 2wdl h ARG 36 Ca 0.48 -0.33 0.04 0.00 0.07 0.00 0.00 59.98 60.25 2wdl h ARG 36 Cb 1.35 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 31.40 2wdl h ARG 36 CO -0.16 0.95 -0.31 0.74 -1.07 0.00 0.00 179.97 180.13 2wdl h PHE 37 N 0.04 -0.84 0.54 3.04 -1.00 -0.12 0.14 116.94 118.75 2wdl h PHE 37 Ca -0.01 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.79 2wdl h PHE 37 Cb 0.98 0.39 -0.01 0.00 3.61 0.00 0.00 35.95 40.91 2wdl h PHE 37 CO 0.11 -0.39 -0.43 1.96 -1.61 0.00 0.00 178.31 177.95 2wdl h GLN 38 N -0.40 -0.92 -0.89 1.51 4.20 -1.44 -1.52 115.11 115.65 2wdl h GLN 38 Ca 0.09 0.06 0.23 0.00 0.06 0.00 0.00 58.65 59.09 2wdl h GLN 38 Cb 0.53 0.21 -0.17 0.00 0.30 0.00 0.00 27.48 28.36 2wdl h GLN 38 CO -0.33 -0.61 -0.03 0.00 -0.67 0.00 0.00 178.83 177.19 2wdl n ALA 39 N -2.70 0.41 0.15 3.87 0.00 -0.12 0.37 120.51 122.48 2wdl n ALA 39 Ca -0.12 0.96 0.00 0.00 0.00 0.00 0.00 53.44 54.28 2wdl n ALA 39 Cb 0.43 -0.68 0.20 0.00 0.00 0.00 0.00 19.45 19.40 2wdl n ALA 39 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wdl h SER 40 N 0.00 0.00 0.90 0.00 4.64 -0.05 -2.97 113.55 116.07 2wdl h SER 40 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 2wdl h SER 40 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2wdl h SER 40 CO -0.85 0.57 0.00 2.30 -0.87 0.00 0.00 176.83 177.97 2wdl n ILE 41 N -3.69 0.53 0.00 0.95 -5.35 0.16 -4.99 119.36 106.97 2wdl n ILE 41 Ca -0.01 0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.53 2wdl n ILE 41 Cb 0.61 -0.77 0.00 0.00 -1.74 0.00 0.00 39.64 37.74 2wdl n ILE 41 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wdl n GLY 42 N 0.79 0.67 3.32 3.28 0.00 -0.99 -5.01 105.19 107.24 2wdl n GLY 42 Ca 0.05 -1.22 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 2wdl n GLY 42 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2wdl n GLN 43 N 0.00 0.08 -1.01 1.61 -0.06 -1.26 -4.18 117.38 112.56 2wdl n GLN 43 Ca 0.00 0.03 0.00 0.00 -2.00 0.00 0.00 57.00 55.03 2wdl n GLN 43 Cb 0.00 -1.08 0.00 0.00 -4.06 0.00 0.00 30.24 25.10 2wdl n GLN 43 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 2wdl n LEU 44 N 2.17 -1.35 0.00 1.69 4.77 -1.26 -4.80 117.00 118.21 2wdl n LEU 44 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2wdl n LEU 44 Cb 0.41 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 2wdl n LEU 44 CO 0.54 0.00 0.00 -1.54 -1.33 0.00 0.00 177.39 175.06 2wdl n SER 45 N -0.44 0.00 -3.66 -1.43 3.41 -1.26 -3.24 113.62 107.01 2wdl n SER 45 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 2wdl n SER 45 Cb 0.10 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.94 2wdl n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wdl n GLN 46 N 0.00 1.49 0.00 4.33 1.13 -1.26 -5.04 117.38 118.04 2wdl n GLN 46 Ca 0.00 -4.13 0.00 0.00 -1.94 0.00 0.00 57.00 50.93 2wdl n GLN 46 Cb 0.00 -2.07 0.00 0.00 0.11 0.00 0.00 30.24 28.28 2wdl n GLN 46 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2wdl n ASN 47 N 1.94 0.00 -0.28 1.08 3.02 -1.26 -1.82 115.26 117.93 2wdl n ASN 47 Ca 0.24 0.00 0.27 0.00 -0.03 0.00 0.00 54.58 55.06 2wdl n ASN 47 Cb 0.40 0.00 0.48 0.00 -0.61 0.00 0.00 39.78 40.06 2wdl n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wdl n HIS 48 N 0.00 0.83 -0.49 3.10 1.44 -1.26 0.81 115.22 119.65 2wdl n HIS 48 Ca 0.00 0.84 0.42 0.00 -2.01 0.00 0.00 57.72 56.97 2wdl n HIS 48 Cb 0.00 -1.26 0.66 0.00 0.12 0.00 0.00 29.99 29.51 2wdl n HIS 48 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 2wdl h LYS 49 N 0.00 0.00 0.04 -1.40 1.79 -1.79 0.58 116.57 115.79 2wdl h LYS 49 Ca 0.68 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.78 2wdl h LYS 49 Cb 1.90 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 32.50 2wdl h LYS 49 CO -0.55 0.00 -2.10 -0.89 -1.08 0.00 0.00 179.45 174.84 2wdl n ILE 50 N -3.64 1.60 0.20 1.86 5.41 0.24 -2.84 119.36 122.19 2wdl n ILE 50 Ca 0.35 -0.45 0.04 0.00 1.00 0.00 0.00 62.75 63.69 2wdl n ILE 50 Cb 1.80 -1.74 0.41 0.00 -0.71 0.00 0.00 39.64 39.40 2wdl n ILE 50 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 176.55 176.63 2wdl h ARG 51 N -0.38 0.00 -0.02 0.38 0.11 -1.41 -0.73 114.38 112.33 2wdl h ARG 51 Ca -0.51 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.57 2wdl h ARG 51 Cb 1.77 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.84 2wdl h ARG 51 CO -0.12 0.32 0.00 -0.44 0.10 0.00 0.00 179.97 179.83 2wdl h ASP 52 N 0.00 0.00 -0.19 0.08 3.32 -0.01 -0.86 116.42 118.76 2wdl h ASP 52 Ca -0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 2wdl h ASP 52 Cb 0.60 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.15 2wdl h ASP 52 CO 0.04 0.01 -0.25 0.25 -1.72 0.00 0.00 179.24 177.57 2wdl h LEU 53 N 0.02 0.55 -0.58 1.55 6.46 -1.36 -2.52 115.31 119.42 2wdl h LEU 53 Ca 0.01 -0.51 0.09 0.00 -0.12 0.00 0.00 57.88 57.35 2wdl h LEU 53 Cb 0.01 -0.16 -0.11 0.00 -0.73 0.00 0.00 40.66 39.67 2wdl h LEU 53 CO -0.01 0.95 -0.43 0.50 -0.62 0.00 0.00 178.44 178.82 2wdl h LYS 54 N 0.17 -0.21 0.00 1.25 3.64 -0.93 0.52 116.57 121.00 2wdl h LYS 54 Ca 0.02 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2wdl h LYS 54 Cb 0.81 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 2wdl h LYS 54 CO 0.06 -0.14 0.00 0.00 -2.27 0.00 0.00 179.45 177.10 2wdl h ARG 55 N -0.22 0.00 0.00 1.90 3.08 -1.13 -1.28 114.38 116.73 2wdl h ARG 55 Ca 0.18 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.09 2wdl h ARG 55 Cb 0.56 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.62 2wdl h ARG 55 CO -0.69 0.00 -0.57 1.96 -1.07 0.00 0.00 179.97 179.60 2wdl h GLN 56 N 0.00 0.39 0.24 0.04 4.20 0.37 0.00 115.11 120.34 2wdl h GLN 56 Ca 0.00 -0.42 0.01 0.00 0.06 0.00 0.00 58.65 58.30 2wdl h GLN 56 Cb 0.26 0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.12 2wdl h GLN 56 CO 0.00 1.09 -0.40 0.82 -0.67 0.00 0.00 178.83 179.66 2wdl h ILE 57 N -0.15 0.18 -0.02 2.54 1.08 -0.10 -0.51 117.51 120.54 2wdl h ILE 57 Ca -0.07 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.40 2wdl h ILE 57 Cb 1.29 0.18 -0.00 0.00 -3.07 0.00 0.00 36.82 35.22 2wdl h ILE 57 CO 0.11 0.00 -0.02 0.00 -0.69 0.00 0.00 178.15 177.55 2wdl h ALA 58 N -0.27 -0.29 -0.78 1.87 0.00 -1.28 0.30 119.26 118.81 2wdl h ALA 58 Ca -0.00 0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.10 2wdl h ALA 58 Cb 0.69 0.74 -0.15 0.00 0.00 0.00 0.00 17.79 19.08 2wdl h ALA 58 CO -0.17 -0.30 -0.08 -2.13 0.00 0.00 0.00 179.25 176.58 2wdl n ARG 59 N -2.82 -0.07 0.17 0.00 0.63 -0.02 -0.36 116.66 114.20 2wdl n ARG 59 Ca -0.00 1.19 -0.14 0.00 -0.92 0.00 0.00 57.85 57.99 2wdl n ARG 59 Cb 0.01 -1.85 -0.08 0.00 0.45 0.00 0.00 32.46 31.00 2wdl n ARG 59 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2wdl h LEU 60 N 0.00 -0.38 -1.99 6.15 3.38 -0.13 -2.28 115.31 120.07 2wdl h LEU 60 Ca 0.43 -0.14 0.22 0.00 0.09 0.00 0.00 57.88 58.48 2wdl h LEU 60 Cb 0.80 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 2wdl h LEU 60 CO -0.77 -0.05 0.56 -0.07 0.09 0.00 0.00 178.44 178.20 2wdl h LEU 61 N -0.73 0.00 -0.03 1.67 3.38 0.14 0.44 115.31 120.17 2wdl h LEU 61 Ca -0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2wdl h LEU 61 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2wdl h LEU 61 CO 0.07 0.00 -0.13 0.74 0.09 0.00 0.00 178.44 179.22 2wdl h THR 62 N 0.00 1.47 -0.90 0.22 2.02 -0.93 -1.84 112.91 112.96 2wdl h THR 62 Ca 0.36 -1.59 0.08 0.00 0.77 0.00 0.00 66.41 66.02 2wdl h THR 62 Cb 1.47 2.43 -0.06 0.00 -1.74 0.00 0.00 68.15 70.25 2wdl h THR 62 CO -0.00 0.43 0.58 0.58 0.37 0.00 0.00 175.52 177.48 2wdl h VAL 63 N -0.43 1.03 0.60 3.16 2.07 0.21 -1.22 116.25 121.67 2wdl h VAL 63 Ca -0.01 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 2wdl h VAL 63 Cb 0.77 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2wdl h VAL 63 CO 0.03 0.18 -0.40 0.25 0.02 0.00 0.00 177.57 177.65 2wdl h LEU 64 N 0.98 -1.01 -0.60 2.57 6.46 -0.26 -2.63 115.31 120.81 2wdl h LEU 64 Ca 0.40 0.06 0.12 0.00 -0.12 0.00 0.00 57.88 58.34 2wdl h LEU 64 Cb 0.27 0.30 -0.11 0.00 -0.73 0.00 0.00 40.66 40.40 2wdl h LEU 64 CO -0.16 -0.60 -0.08 0.78 -0.62 0.00 0.00 178.44 177.76 2wdl h ASN 65 N -0.95 -0.42 -0.93 1.25 4.21 -0.38 -0.40 115.58 117.95 2wdl h ASN 65 Ca -0.07 0.17 0.09 0.00 1.21 0.00 0.00 56.30 57.69 2wdl h ASN 65 Cb 0.78 0.32 -0.07 0.00 -1.12 0.00 0.00 38.32 38.24 2wdl h ASN 65 CO 0.06 -0.16 0.60 1.05 -1.29 0.00 0.00 177.43 177.69 2wdl h GLU 66 N 0.05 0.96 -0.90 0.81 4.11 -1.20 -1.19 114.58 117.21 2wdl h GLU 66 Ca 0.30 -0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.66 2wdl h GLU 66 Cb 0.47 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 2wdl h GLU 66 CO -0.57 0.64 0.53 0.87 0.07 0.00 0.00 179.01 180.55 2wdl h LYS 67 N 0.99 1.23 -2.84 1.06 1.79 -0.71 -3.26 116.57 114.84 2wdl h LYS 67 Ca 0.42 -0.12 -0.41 0.00 -2.18 0.00 0.00 60.65 58.36 2wdl h LYS 67 Cb 0.32 -0.25 -0.00 0.00 -1.58 0.00 0.00 32.23 30.71 2wdl h LYS 67 CO -0.18 0.87 2.12 0.54 -1.08 0.00 0.00 179.45 181.72 2wdl n ARG 68 N -4.38 2.54 -0.52 3.15 5.12 -0.45 -3.04 116.66 119.08 2wdl n ARG 68 Ca 0.10 -1.52 -0.00 0.00 -1.93 0.00 0.00 57.85 54.50 2wdl n ARG 68 Cb 0.07 -2.40 -0.00 0.00 -1.16 0.00 0.00 32.46 28.97 2wdl n ARG 68 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2wdl n ARG 69 N 3.42 0.00 0.01 5.56 1.74 -1.23 -5.00 116.66 121.16 2wdl n ARG 69 Ca 0.54 -0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 2wdl n ARG 69 Cb 0.38 -0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.82 2wdl n ARG 69 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wdl n GLN 70 N 0.00 0.00 0.00 5.56 10.64 -1.17 -4.96 117.38 127.45 2wdl n GLN 70 Ca -0.01 0.00 0.07 0.00 -1.83 0.00 0.00 57.00 55.23 2wdl n GLN 70 Cb 0.52 0.00 0.44 0.00 -0.86 0.00 0.00 30.24 30.34 2wdl n GLN 70 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 2wdl n ASN 71 N -2.45 0.00 0.00 2.61 3.02 -1.18 -5.19 115.26 112.07 2wdl n ASN 71 Ca 0.00 -1.28 0.00 0.00 -0.03 0.00 0.00 54.58 53.27 2wdl n ASN 71 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2wdl n ASN 71 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64