#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wdv h LYS 4 N 0.00 1.20 -0.28 3.44 1.57 -1.97 0.26 116.57 120.79 1wdv h LYS 4 Ca 0.00 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.59 1wdv h LYS 4 Cb 0.00 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 1wdv h LYS 4 CO 0.00 0.87 -0.05 0.28 -0.57 0.00 0.00 179.45 179.98 1wdv h VAL 5 N 1.20 1.28 -0.72 0.50 2.07 -1.90 -0.85 116.25 117.83 1wdv h VAL 5 Ca 0.30 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1wdv h VAL 5 Cb 0.01 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1wdv h VAL 5 CO -0.05 0.33 0.41 -0.33 0.02 0.00 0.00 177.57 177.96 1wdv h GLU 6 N 0.29 1.00 -0.13 1.57 5.08 -1.85 -2.06 114.58 118.48 1wdv h GLU 6 Ca 0.07 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1wdv h GLU 6 Cb 0.52 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1wdv h GLU 6 CO 0.02 0.73 -0.19 0.93 -1.00 0.00 0.00 179.01 179.50 1wdv h GLU 7 N 0.99 0.22 -0.24 2.33 5.08 -0.82 -2.25 114.58 119.88 1wdv h GLU 7 Ca 0.26 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.48 1wdv h GLU 7 Cb 0.01 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1wdv h GLU 7 CO -0.04 0.41 -0.14 2.35 -1.00 0.00 0.00 179.01 180.59 1wdv h TRP 8 N 0.21 0.61 -0.26 4.33 7.01 -0.52 -1.69 115.95 125.63 1wdv h TRP 8 Ca 0.04 -0.16 0.00 0.00 2.11 0.00 0.00 58.89 60.88 1wdv h TRP 8 Cb 0.46 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.37 1wdv h TRP 8 CO 0.01 0.80 0.16 0.82 -2.79 0.00 0.00 178.44 177.44 1wdv h ILE 9 N 0.24 1.08 -0.47 2.65 2.04 -1.18 -2.48 117.51 119.38 1wdv h ILE 9 Ca 0.05 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1wdv h ILE 9 Cb 0.65 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1wdv h ILE 9 CO 0.04 0.08 0.26 0.50 0.00 0.00 0.00 178.15 179.03 1wdv h LYS 10 N 0.34 0.66 0.00 2.37 3.64 -1.39 -1.55 116.57 120.64 1wdv h LYS 10 Ca 0.09 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1wdv h LYS 10 Cb -0.02 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1wdv h LYS 10 CO -0.02 0.52 -0.05 0.00 -2.27 0.00 0.00 179.45 177.63 1wdv h ALA 11 N 1.11 1.70 -0.02 5.00 0.00 -1.06 -1.65 119.26 124.35 1wdv h ALA 11 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1wdv h ALA 11 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1wdv h ALA 11 CO -0.03 0.06 -0.34 0.54 0.00 0.00 0.00 179.25 179.48 1wdv n ARG 12 N -4.17 1.26 -2.39 0.00 5.12 -0.96 -4.97 116.66 110.56 1wdv n ARG 12 Ca -0.03 -0.97 -0.16 0.00 -1.93 0.00 0.00 57.85 54.77 1wdv n ARG 12 Cb 0.13 -1.48 -0.00 0.00 -1.16 0.00 0.00 32.46 29.95 1wdv n ARG 12 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wdv n GLY 13 N 1.38 -0.26 3.92 -0.13 0.00 -0.62 -5.01 105.19 104.48 1wdv n GLY 13 Ca 0.11 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 1wdv n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wdv s LEU 14 N -4.55 3.52 0.00 0.99 1.43 -0.85 -5.00 118.68 114.23 1wdv s LEU 14 Ca 0.04 0.65 0.19 0.00 -1.03 0.00 0.00 54.13 53.97 1wdv s LEU 14 Cb -0.02 -3.53 0.52 0.00 0.03 0.00 0.00 46.19 43.19 1wdv s LEU 14 CO 0.05 -0.77 1.42 0.35 0.23 0.00 0.00 176.35 177.64 1wdv n THR 15 N -2.30 0.55 -1.43 5.49 -2.24 -1.26 -4.77 114.28 108.33 1wdv n THR 15 Ca 0.02 -0.63 -0.35 0.00 -2.27 0.00 0.00 64.05 60.81 1wdv n THR 15 Cb 0.57 0.48 0.10 0.00 -2.10 0.00 0.00 70.33 69.38 1wdv n THR 15 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1wdv s TRP 16 N -1.45 1.93 0.07 4.78 0.51 -1.26 -5.03 118.94 118.49 1wdv s TRP 16 Ca 0.35 1.58 0.02 0.00 -2.12 0.00 0.00 56.10 55.93 1wdv s TRP 16 Cb 0.19 -3.60 -0.03 0.00 -0.81 0.00 0.00 33.47 29.22 1wdv s TRP 16 CO 0.26 -2.91 -0.08 1.03 -0.51 0.00 0.00 176.95 174.74 1wdv s ARG 17 N -3.75 0.70 -0.22 4.98 0.52 -0.90 -4.98 118.95 115.30 1wdv s ARG 17 Ca 0.78 -1.03 -0.09 0.00 -0.52 0.00 0.00 55.73 54.87 1wdv s ARG 17 Cb -0.33 -0.34 -0.05 0.00 0.52 0.00 0.00 34.95 34.76 1wdv s ARG 17 CO 0.45 0.04 0.12 -0.51 0.02 0.00 0.00 175.30 175.42 1wdv s LEU 18 N -2.23 3.99 -0.10 2.53 1.43 -1.26 -0.24 118.68 122.80 1wdv s LEU 18 Ca 0.00 0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 53.17 1wdv s LEU 18 Cb -0.04 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 1wdv s LEU 18 CO -0.01 0.10 0.00 -0.76 0.23 0.00 0.00 176.35 175.91 1wdv s LEU 19 N 0.83 3.56 0.00 1.79 1.43 0.68 -4.93 118.68 122.04 1wdv s LEU 19 Ca 0.06 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 1wdv s LEU 19 Cb -0.13 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.27 1wdv s LEU 19 CO 0.02 0.35 0.00 -0.38 0.23 0.00 0.00 176.35 176.57 1wdv n ILE 20 N 2.34 0.00 -0.06 -0.59 2.08 -1.26 -0.46 119.36 121.41 1wdv n ILE 20 Ca -0.18 0.00 -0.09 0.00 0.56 0.00 0.00 62.75 63.04 1wdv n ILE 20 Cb 0.53 -0.54 -0.05 0.00 -0.75 0.00 0.00 39.64 38.84 1wdv n ILE 20 CO 0.00 0.00 0.00 1.67 0.56 0.00 0.00 176.55 178.78 1wdv n GLN 22 N -0.02 0.27 -5.17 0.38 0.00 -1.26 -5.02 117.38 106.57 1wdv n GLN 22 Ca 0.00 0.07 -0.30 0.00 -0.00 0.00 0.00 57.00 56.78 1wdv n GLN 22 Cb 0.00 -1.16 -0.16 0.00 0.00 0.00 0.00 30.24 28.92 1wdv n GLN 22 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1wdv s LYS 23 N -2.22 2.07 0.45 3.69 1.02 -1.26 -5.09 119.74 118.40 1wdv s LYS 23 Ca -0.15 -0.84 -0.25 0.00 0.02 0.00 0.00 55.97 54.75 1wdv s LYS 23 Cb 0.04 -1.91 -0.08 0.00 -0.52 0.00 0.00 37.83 35.36 1wdv s LYS 23 CO 0.25 0.45 1.41 -1.25 -0.92 0.00 0.00 175.35 175.28 1wdv s PRO 24 N -0.39 3.71 0.46 -1.68 0.04 -1.26 -4.96 135.00 130.92 1wdv s PRO 24 Ca 0.04 2.38 -0.20 0.00 0.04 0.00 0.00 61.00 63.27 1wdv s PRO 24 Cb -0.11 -2.66 -0.10 0.00 0.04 0.00 0.00 34.50 31.68 1wdv s PRO 24 CO 0.01 -0.79 0.97 0.95 0.04 0.00 0.00 177.00 178.18 1wdv s THR 25 N -1.21 4.32 -0.48 1.26 -4.23 -1.26 -4.96 115.64 109.07 1wdv s THR 25 Ca 0.61 1.36 0.15 0.00 -1.18 0.00 0.00 61.69 62.63 1wdv s THR 25 Cb -0.43 -3.60 -0.19 0.00 1.34 0.00 0.00 72.50 69.62 1wdv s THR 25 CO 0.55 -0.39 0.54 0.54 -0.54 0.00 0.00 174.62 175.32 1wdv n ARG 26 N -0.92 1.49 -4.02 3.99 1.74 -1.26 -5.01 116.66 112.66 1wdv n ARG 26 Ca 0.07 -0.05 -0.08 0.00 -0.77 0.00 0.00 57.85 57.03 1wdv n ARG 26 Cb 0.54 -1.27 -0.09 0.00 -1.02 0.00 0.00 32.46 30.62 1wdv n ARG 26 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1wdv s THR 27 N -2.65 0.18 0.27 0.55 -4.23 -1.26 -5.04 115.64 103.45 1wdv s THR 27 Ca 0.02 -1.62 -0.01 0.00 -1.18 0.00 0.00 61.69 58.89 1wdv s THR 27 Cb 0.11 -1.54 0.11 0.00 1.34 0.00 0.00 72.50 72.52 1wdv s THR 27 CO 0.63 -0.81 1.76 0.58 -0.54 0.00 0.00 174.62 176.24 1wdv h VAL 28 N 2.98 1.24 -0.57 2.29 2.07 -1.95 -2.29 116.25 120.02 1wdv h VAL 28 Ca -0.34 -1.01 0.04 0.00 0.82 0.00 0.00 66.70 66.21 1wdv h VAL 28 Cb 1.17 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 1wdv h VAL 28 CO 0.62 0.35 0.33 0.00 0.02 0.00 0.00 177.57 178.88 1wdv h ALA 29 N 1.28 0.74 -0.49 1.67 0.00 -1.96 -0.02 119.26 120.48 1wdv h ALA 29 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1wdv h ALA 29 Cb 0.46 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1wdv h ALA 29 CO 0.02 0.02 0.14 1.49 0.00 0.00 0.00 179.25 180.92 1wdv h GLU 30 N 0.63 0.77 -0.64 0.00 4.81 -1.88 -1.34 114.58 116.93 1wdv h GLU 30 Ca 0.24 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1wdv h GLU 30 Cb 0.08 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 1wdv h GLU 30 CO -0.13 0.74 0.29 0.00 -0.73 0.00 0.00 179.01 179.18 1wdv h ALA 31 N 1.00 0.83 -0.38 2.92 0.00 -1.04 -1.15 119.26 121.44 1wdv h ALA 31 Ca 0.16 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1wdv h ALA 31 Cb 0.30 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1wdv h ALA 31 CO -0.00 0.41 0.12 0.00 0.00 0.00 0.00 179.25 179.78 1wdv h ALA 32 N 1.13 0.50 -0.45 0.00 0.00 -0.79 -2.47 119.26 117.18 1wdv h ALA 32 Ca 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1wdv h ALA 32 Cb 0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1wdv h ALA 32 CO -0.02 0.14 0.22 0.00 0.00 0.00 0.00 179.25 179.58 1wdv h ALA 33 N 0.97 0.58 0.00 0.00 0.00 -1.06 -0.06 119.26 119.68 1wdv h ALA 33 Ca 0.12 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1wdv h ALA 33 Cb 0.25 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1wdv h ALA 33 CO -0.00 0.13 -0.22 -0.07 0.00 0.00 0.00 179.25 179.09 1wdv h LEU 34 N 0.58 0.00 -0.59 0.00 3.38 -1.11 -2.19 115.31 115.39 1wdv h LEU 34 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1wdv h LEU 34 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1wdv h LEU 34 CO -0.02 0.22 -0.44 0.18 0.09 0.00 0.00 178.44 178.47 1wdv n LEU 35 N -3.96 1.35 -0.86 1.67 4.77 -0.94 -4.97 117.00 114.06 1wdv n LEU 35 Ca -0.02 -0.44 -0.08 0.00 -0.03 0.00 0.00 56.01 55.43 1wdv n LEU 35 Cb 0.30 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.30 1wdv n LEU 35 CO 0.35 0.26 -0.10 0.61 -1.33 0.00 0.00 177.39 177.18 1wdv n GLY 36 N 1.40 0.29 0.00 -0.72 0.00 -0.18 -5.02 105.19 100.96 1wdv n GLY 36 Ca 0.10 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1wdv n GLY 36 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wdv n VAL 37 N -3.68 0.00 -3.53 1.61 0.24 -0.38 -5.02 118.33 107.56 1wdv n VAL 37 Ca -0.09 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.01 1wdv n VAL 37 Cb 0.49 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.85 1wdv n VAL 37 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1wdv s SER 38 N -0.59 5.70 0.45 -1.34 1.04 -1.26 -4.38 113.70 113.32 1wdv s SER 38 Ca 0.00 -0.33 0.14 0.00 0.48 0.00 0.00 55.95 56.24 1wdv s SER 38 Cb 0.00 -1.07 1.02 0.00 0.10 0.00 0.00 66.02 66.07 1wdv s SER 38 CO 0.00 -0.45 2.02 -0.33 0.98 0.00 0.00 173.24 175.46 1wdv h GLU 39 N 0.98 0.07 0.00 4.02 5.08 -1.93 -1.42 114.58 121.38 1wdv h GLU 39 Ca -0.45 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1wdv h GLU 39 Cb 1.26 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1wdv h GLU 39 CO 0.54 0.18 0.00 0.66 -1.00 0.00 0.00 179.01 179.39 1wdv h SER 40 N 0.07 0.00 0.19 1.42 4.64 -1.92 -1.34 113.55 116.61 1wdv h SER 40 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1wdv h SER 40 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1wdv h SER 40 CO 0.01 0.00 -0.30 -0.62 -0.87 0.00 0.00 176.83 175.06 1wdv n GLU 41 N -2.64 0.90 -3.49 4.77 1.02 -0.54 -4.21 120.64 116.45 1wdv n GLU 41 Ca -0.00 -0.57 -0.43 0.00 -0.02 0.00 0.00 57.16 56.14 1wdv n GLU 41 Cb 0.17 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.01 1wdv n GLU 41 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1wdv s ILE 42 N -2.50 5.07 -0.03 -3.67 -1.09 -0.56 -0.36 121.20 118.07 1wdv s ILE 42 Ca 0.23 -0.78 -0.03 0.00 -2.23 0.00 0.00 60.65 57.85 1wdv s ILE 42 Cb 0.19 -3.86 -0.04 0.00 -1.58 0.00 0.00 42.46 37.17 1wdv s ILE 42 CO 0.53 -0.33 0.15 0.68 -1.23 0.00 0.00 174.94 174.74 1wdv s VAL 43 N 1.64 5.26 -0.04 2.92 -7.23 0.03 -0.52 120.40 122.45 1wdv s VAL 43 Ca 0.04 -0.16 0.01 0.00 -1.81 0.00 0.00 61.98 60.06 1wdv s VAL 43 Cb -0.20 -3.42 -0.03 0.00 0.56 0.00 0.00 36.38 33.29 1wdv s VAL 43 CO 0.09 0.38 -0.06 -1.59 -0.31 0.00 0.00 175.10 173.61 1wdv s LYS 44 N -1.73 2.72 -0.49 4.82 -2.85 -0.63 -4.24 119.74 117.33 1wdv s LYS 44 Ca 0.24 -0.59 -0.16 0.00 -1.00 0.00 0.00 55.97 54.46 1wdv s LYS 44 Cb -0.12 -2.59 0.08 0.00 -2.06 0.00 0.00 37.83 33.13 1wdv s LYS 44 CO 0.15 0.65 0.45 0.99 0.10 0.00 0.00 175.35 177.69 1wdv s THR 45 N -0.89 5.16 -0.17 3.79 2.01 -1.26 -1.86 115.64 122.42 1wdv s THR 45 Ca 0.14 -1.01 -0.12 0.00 0.31 0.00 0.00 61.69 61.01 1wdv s THR 45 Cb -0.11 -4.19 -0.05 0.00 0.01 0.00 0.00 72.50 68.17 1wdv s THR 45 CO 0.04 -0.66 0.23 -0.76 -0.69 0.00 0.00 174.62 172.79 1wdv s LEU 46 N 1.82 4.24 -0.11 4.42 1.43 0.09 -4.83 118.68 125.75 1wdv s LEU 46 Ca 0.06 0.42 -0.21 0.00 -1.03 0.00 0.00 54.13 53.36 1wdv s LEU 46 Cb -0.24 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 1wdv s LEU 46 CO 0.07 0.14 0.61 -0.63 0.23 0.00 0.00 176.35 176.77 1wdv s ILE 47 N 0.37 5.09 -0.00 -0.59 -1.09 -1.26 -0.50 121.20 123.22 1wdv s ILE 47 Ca 0.14 1.23 0.08 0.00 -2.23 0.00 0.00 60.65 59.87 1wdv s ILE 47 Cb -0.12 -3.95 -0.02 0.00 -1.58 0.00 0.00 42.46 36.79 1wdv s ILE 47 CO 0.02 0.25 -0.24 -0.69 -1.23 0.00 0.00 174.94 173.05 1wdv s VAL 48 N 0.93 1.90 -0.05 2.92 1.01 0.13 -1.21 120.40 126.04 1wdv s VAL 48 Ca 0.32 -1.09 0.06 0.00 0.00 0.00 0.00 61.98 61.28 1wdv s VAL 48 Cb -0.16 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 1wdv s VAL 48 CO 0.14 0.48 -0.24 -0.76 0.00 0.00 0.00 175.10 174.73 1wdv s LEU 49 N -0.70 2.15 0.60 3.92 1.43 0.31 -0.52 118.68 125.88 1wdv s LEU 49 Ca 0.09 -0.46 0.06 0.00 -1.03 0.00 0.00 54.13 52.80 1wdv s LEU 49 Cb -0.09 -1.39 0.09 0.00 0.03 0.00 0.00 46.19 44.83 1wdv s LEU 49 CO -0.00 0.28 0.83 1.51 0.23 0.00 0.00 176.35 179.20 1wdv s ASP 50 N -0.35 4.92 -0.06 2.29 1.47 -0.76 -1.10 116.67 123.10 1wdv s ASP 50 Ca 0.02 -0.65 0.05 0.00 1.18 0.00 0.00 52.55 53.16 1wdv s ASP 50 Cb -0.12 0.09 0.25 0.00 -0.34 0.00 0.00 42.92 42.80 1wdv s ASP 50 CO 0.02 -1.45 0.96 -0.46 0.68 0.00 0.00 175.17 174.92 1wdv n ASN 51 N -2.39 2.20 -1.67 2.11 6.94 -0.86 -3.93 115.26 117.65 1wdv n ASN 51 Ca 0.15 -2.22 0.00 0.00 -0.02 0.00 0.00 54.58 52.48 1wdv n ASN 51 Cb 0.61 -0.46 0.07 0.00 -2.36 0.00 0.00 39.78 37.64 1wdv n ASN 51 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wdv n ALA 52 N 0.19 3.03 -0.83 -2.53 0.00 -1.26 -4.98 120.51 114.14 1wdv n ALA 52 Ca 0.09 -2.84 0.00 0.00 0.00 0.00 0.00 53.44 50.69 1wdv n ALA 52 Cb 0.47 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.28 1wdv n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wdv n GLY 53 N -0.27 0.88 3.77 0.00 0.00 -1.25 -5.03 105.19 103.28 1wdv n GLY 53 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1wdv n GLY 53 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wdv s GLY 54 N -1.85 2.91 -0.05 -0.02 0.00 -1.26 -4.94 107.32 102.11 1wdv s GLY 54 Ca 0.00 0.57 0.02 0.00 0.00 0.00 0.00 44.72 45.31 1wdv s GLY 54 CO 0.00 1.06 -0.10 0.14 0.00 0.00 0.00 173.10 174.21 1wdv s VAL 55 N -1.46 0.89 0.11 1.40 1.01 -1.26 -1.82 120.40 119.26 1wdv s VAL 55 Ca 0.47 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 62.17 1wdv s VAL 55 Cb -0.22 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1wdv s VAL 55 CO 0.27 0.29 -0.21 -0.31 0.00 0.00 0.00 175.10 175.14 1wdv s TYR 56 N 0.55 1.83 -0.20 5.22 1.51 0.33 -0.99 117.35 125.59 1wdv s TYR 56 Ca -0.10 -0.42 -0.01 0.00 -1.01 0.00 0.00 57.07 55.54 1wdv s TYR 56 Cb -0.13 -1.00 0.01 0.00 -0.11 0.00 0.00 41.96 40.73 1wdv s TYR 56 CO 0.02 0.22 -0.14 0.00 -1.11 0.00 0.00 175.55 174.54 1wdv s ALA 57 N -1.19 2.52 -0.22 3.71 0.00 0.17 -0.69 121.76 126.05 1wdv s ALA 57 Ca 0.07 -1.26 -0.00 0.00 0.00 0.00 0.00 51.96 50.77 1wdv s ALA 57 Cb -0.10 -1.41 0.03 0.00 0.00 0.00 0.00 23.12 21.64 1wdv s ALA 57 CO 0.04 -0.47 -0.12 0.08 0.00 0.00 0.00 175.76 175.30 1wdv s VAL 58 N 1.34 2.49 -0.30 0.00 1.01 0.35 -0.73 120.40 124.55 1wdv s VAL 58 Ca 0.04 -1.05 -0.16 0.00 0.00 0.00 0.00 61.98 60.82 1wdv s VAL 58 Cb -0.14 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 1wdv s VAL 58 CO -0.09 0.31 0.41 -0.69 0.00 0.00 0.00 175.10 175.05 1wdv s VAL 59 N 1.29 5.13 0.16 2.92 1.01 -0.02 -0.73 120.40 130.16 1wdv s VAL 59 Ca 0.01 0.45 0.04 0.00 0.00 0.00 0.00 61.98 62.48 1wdv s VAL 59 Cb -0.16 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 1wdv s VAL 59 CO -0.08 0.02 -0.08 0.27 0.00 0.00 0.00 175.10 175.23 1wdv s ILE 60 N 2.15 1.14 0.57 2.22 -4.36 -0.78 -1.26 121.20 120.89 1wdv s ILE 60 Ca 0.16 -2.06 -0.21 0.00 -0.26 0.00 0.00 60.65 58.28 1wdv s ILE 60 Cb -0.16 -1.95 -0.04 0.00 1.25 0.00 0.00 42.46 41.56 1wdv s ILE 60 CO 0.11 -0.66 1.34 -2.84 0.24 0.00 0.00 174.94 173.13 1wdv s PRO 61 N -3.77 2.99 0.54 0.37 0.02 -1.26 -1.61 135.00 132.28 1wdv s PRO 61 Ca 0.19 2.17 0.30 0.00 0.02 0.00 0.00 61.00 63.69 1wdv s PRO 61 Cb 0.03 -2.14 1.51 0.00 0.02 0.00 0.00 34.50 33.91 1wdv s PRO 61 CO 0.02 -1.29 2.07 0.78 -0.33 0.00 0.00 177.00 178.26 1wdv h GLY 62 N 1.22 0.00 -2.24 0.52 0.00 -0.26 -2.38 103.07 99.92 1wdv h GLY 62 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1wdv h GLY 62 CO 0.56 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.19 1wdv n ASP 63 N -3.44 3.38 -4.41 0.19 5.75 -1.24 -4.90 116.55 111.87 1wdv n ASP 63 Ca -0.01 -2.31 -0.24 0.00 -0.01 0.00 0.00 54.79 52.22 1wdv n ASP 63 Cb 0.25 -0.48 -0.10 0.00 -1.03 0.00 0.00 41.12 39.76 1wdv n ASP 63 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1wdv s LYS 64 N -1.76 1.78 0.27 0.11 -0.14 -0.90 -5.05 119.74 114.07 1wdv s LYS 64 Ca 0.34 -2.03 0.07 0.00 -1.36 0.00 0.00 55.97 53.00 1wdv s LYS 64 Cb 0.22 -0.91 -0.06 0.00 -1.68 0.00 0.00 37.83 35.40 1wdv s LYS 64 CO 0.16 -0.26 -0.08 1.03 -0.76 0.00 0.00 175.35 175.44 1wdv s ARG 65 N -3.84 1.55 0.28 1.68 0.52 -1.26 -4.88 118.95 113.00 1wdv s ARG 65 Ca 0.31 -1.77 -0.29 0.00 -0.52 0.00 0.00 55.73 53.46 1wdv s ARG 65 Cb 0.07 -1.24 -0.10 0.00 0.52 0.00 0.00 34.95 34.20 1wdv s ARG 65 CO 0.15 0.09 1.32 -1.17 0.02 0.00 0.00 175.30 175.70 1wdv s LEU 66 N -3.44 4.42 -0.65 2.53 2.96 -1.26 -0.83 118.68 122.41 1wdv s LEU 66 Ca 0.29 2.60 -0.19 0.00 -0.22 0.00 0.00 54.13 56.61 1wdv s LEU 66 Cb 0.02 -3.63 0.11 0.00 0.50 0.00 0.00 46.19 43.19 1wdv s LEU 66 CO 0.12 -0.54 0.77 0.21 -1.32 0.00 0.00 176.35 175.58 1wdv s ASN 67 N -0.16 6.28 0.19 3.68 3.84 0.13 -4.71 114.94 124.18 1wdv s ASN 67 Ca 0.52 -1.58 -0.12 0.00 0.21 0.00 0.00 52.86 51.89 1wdv s ASN 67 Cb -0.39 -2.31 0.19 0.00 -0.55 0.00 0.00 41.25 38.19 1wdv s ASN 67 CO 0.47 -1.08 1.76 0.40 -2.79 0.00 0.00 177.10 175.85 1wdv h ILE 68 N 5.82 0.85 -0.97 -5.21 1.08 -1.93 -2.03 117.51 115.12 1wdv h ILE 68 Ca -0.21 -0.14 0.06 0.00 -0.39 0.00 0.00 64.86 64.18 1wdv h ILE 68 Cb 1.08 0.41 -0.06 0.00 -3.07 0.00 0.00 36.82 35.17 1wdv h ILE 68 CO 1.08 0.07 0.63 -1.13 -0.69 0.00 0.00 178.15 178.11 1wdv h ASN 69 N 0.40 1.01 0.00 1.72 -0.00 -1.97 -0.74 115.58 115.99 1wdv h ASN 69 Ca 0.25 0.01 0.00 0.00 -0.00 0.00 0.00 56.30 56.56 1wdv h ASN 69 Cb 0.25 -0.21 0.00 0.00 -0.00 0.00 0.00 38.32 38.37 1wdv h ASN 69 CO -0.24 0.65 0.00 -1.20 -0.00 0.00 0.00 177.43 176.64 1wdv n SER 70 N -4.52 0.42 0.00 1.15 7.64 -0.76 -1.73 113.62 115.81 1wdv n SER 70 Ca 0.15 -0.34 0.00 0.00 1.01 0.00 0.00 58.87 59.69 1wdv n SER 70 Cb 0.17 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 1wdv n SER 70 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1wdv n LYS 72 N 0.78 0.00 -0.10 1.43 4.81 -0.29 -1.38 118.16 123.42 1wdv n LYS 72 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 1wdv n LYS 72 Cb 0.07 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.08 1wdv n LYS 72 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1wdv h GLU 73 N 0.00 0.59 -0.30 1.64 5.08 -1.60 0.16 114.58 120.14 1wdv h GLU 73 Ca 0.00 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 1wdv h GLU 73 Cb 0.00 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1wdv h GLU 73 CO 0.00 0.82 0.09 1.25 -1.00 0.00 0.00 179.01 180.17 1wdv h LEU 74 N 0.33 0.44 -0.87 1.33 5.85 -1.50 -2.96 115.31 117.93 1wdv h LEU 74 Ca 0.06 -0.21 -0.12 0.00 0.84 0.00 0.00 57.88 58.46 1wdv h LEU 74 Cb 0.64 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1wdv h LEU 74 CO 0.04 0.53 -0.49 0.00 -0.34 0.00 0.00 178.44 178.18 1wdv h ALA 75 N 0.93 1.04 -0.02 1.25 0.00 -1.82 -3.46 119.26 117.18 1wdv h ALA 75 Ca 0.10 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1wdv h ALA 75 Cb 0.25 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1wdv h ALA 75 CO -0.00 0.64 -0.01 0.41 0.00 0.00 0.00 179.25 180.29 1wdv n GLY 76 N -0.02 0.47 3.22 0.00 0.00 0.54 -5.00 105.19 104.40 1wdv n GLY 76 Ca -0.02 -0.27 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 1wdv n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wdv s LYS 77 N -0.68 0.86 0.38 1.61 1.02 -1.13 -5.03 119.74 116.77 1wdv s LYS 77 Ca 0.00 -0.89 -0.28 0.00 0.02 0.00 0.00 55.97 54.82 1wdv s LYS 77 Cb 0.00 0.36 -0.11 0.00 -0.52 0.00 0.00 37.83 37.56 1wdv s LYS 77 CO 0.00 -0.28 1.48 -2.30 -0.92 0.00 0.00 175.35 173.32 1wdv n PRO 78 N -0.01 2.63 -4.28 -1.68 -0.02 -1.26 -4.52 135.00 125.86 1wdv n PRO 78 Ca -0.16 0.92 -0.15 0.00 -2.02 0.00 0.00 63.50 62.10 1wdv n PRO 78 Cb 0.62 -2.65 -0.10 0.00 -0.02 0.00 0.00 33.50 31.35 1wdv n PRO 78 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1wdv s VAL 79 N -1.12 0.64 0.22 -1.45 -7.23 -1.26 -2.03 120.40 108.17 1wdv s VAL 79 Ca 0.54 -1.99 -0.18 0.00 -1.81 0.00 0.00 61.98 58.53 1wdv s VAL 79 Cb -0.48 -2.39 0.02 0.00 0.56 0.00 0.00 36.38 34.10 1wdv s VAL 79 CO 0.64 -0.24 0.56 0.00 -0.31 0.00 0.00 175.10 175.75 1wdv s ARG 80 N -3.97 1.49 0.24 4.82 1.70 -0.25 -4.98 118.95 117.99 1wdv s ARG 80 Ca 0.31 -0.93 -0.30 0.00 -0.47 0.00 0.00 55.73 54.34 1wdv s ARG 80 Cb 0.07 0.53 -0.09 0.00 -0.57 0.00 0.00 34.95 34.90 1wdv s ARG 80 CO 0.09 -0.64 1.00 -0.51 -1.08 0.00 0.00 175.30 174.15 1wdv s LEU 81 N -2.90 4.60 0.37 -1.89 1.43 -1.26 -0.53 118.68 118.50 1wdv s LEU 81 Ca 0.11 2.03 -0.27 0.00 -1.03 0.00 0.00 54.13 54.98 1wdv s LEU 81 Cb -0.02 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.50 1wdv s LEU 81 CO 0.01 0.04 1.22 0.00 0.23 0.00 0.00 176.35 177.85 1wdv s ALA 82 N -1.03 3.28 0.66 4.21 0.00 -0.35 -4.80 121.76 123.73 1wdv s ALA 82 Ca 0.43 1.08 -0.11 0.00 0.00 0.00 0.00 51.96 53.36 1wdv s ALA 82 Cb -0.28 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.41 1wdv s ALA 82 CO 0.34 -0.58 1.05 1.03 0.00 0.00 0.00 175.76 177.60 1wdv s ARG 83 N -2.08 3.26 0.31 0.00 0.52 -1.26 -4.76 118.95 114.94 1wdv s ARG 83 Ca 0.54 0.81 0.07 0.00 -0.52 0.00 0.00 55.73 56.63 1wdv s ARG 83 Cb -0.34 -2.04 0.78 0.00 0.52 0.00 0.00 34.95 33.87 1wdv s ARG 83 CO 0.44 -0.83 1.78 0.00 0.02 0.00 0.00 175.30 176.71 1wdv h ALA 84 N -0.51 1.73 -0.20 2.13 0.00 -2.00 0.15 119.26 120.56 1wdv h ALA 84 Ca -0.44 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 1wdv h ALA 84 Cb 1.20 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1wdv h ALA 84 CO 0.60 -0.11 -0.30 -2.95 0.00 0.00 0.00 179.25 176.49 1wdv h ASN 85 N 0.72 0.40 -0.20 0.00 -1.07 -2.00 -2.62 115.58 110.81 1wdv h ASN 85 Ca 0.58 -0.14 -0.17 0.00 0.07 0.00 0.00 56.30 56.64 1wdv h ASN 85 Cb 0.97 -0.11 -0.00 0.00 -2.07 0.00 0.00 38.32 37.10 1wdv h ASN 85 CO -0.38 0.69 -0.49 -0.33 0.07 0.00 0.00 177.43 176.99 1wdv h GLU 86 N 0.34 0.77 -0.16 4.14 5.08 -1.14 -1.65 114.58 121.96 1wdv h GLU 86 Ca 0.05 -0.45 0.03 0.00 -1.00 0.00 0.00 59.36 57.98 1wdv h GLU 86 Cb 0.71 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 1wdv h GLU 86 CO 0.05 1.08 -0.03 0.28 -1.00 0.00 0.00 179.01 179.39 1wdv h VAL 87 N 0.61 0.85 -0.33 3.13 2.07 -0.78 0.69 116.25 122.48 1wdv h VAL 87 Ca 0.03 -0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 1wdv h VAL 87 Cb 1.07 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1wdv h VAL 87 CO 0.11 0.00 0.06 0.58 0.02 0.00 0.00 177.57 178.33 1wdv h VAL 88 N 0.01 1.23 -0.28 2.57 2.07 -1.40 -2.13 116.25 118.32 1wdv h VAL 88 Ca 0.08 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 1wdv h VAL 88 Cb 0.11 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1wdv h VAL 88 CO -0.16 0.27 0.17 -0.08 0.02 0.00 0.00 177.57 177.79 1wdv h GLU 89 N 0.38 0.38 0.00 1.57 4.81 -1.13 0.82 114.58 121.41 1wdv h GLU 89 Ca 0.10 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1wdv h GLU 89 Cb 0.35 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1wdv h GLU 89 CO 0.01 0.29 -0.05 -0.07 -0.73 0.00 0.00 179.01 178.46 1wdv h LEU 90 N 0.36 0.00 0.00 1.64 3.38 -0.87 -3.37 115.31 116.45 1wdv h LEU 90 Ca 0.10 -0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.86 1wdv h LEU 90 Cb 0.01 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1wdv h LEU 90 CO -0.02 0.00 -1.78 0.35 0.09 0.00 0.00 178.44 177.08 1wdv n THR 91 N -3.05 0.78 -0.73 0.22 -2.24 -0.80 -4.69 114.28 103.77 1wdv n THR 91 Ca 0.04 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1wdv n THR 91 Cb 0.53 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 1wdv n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wdv n GLY 92 N 2.30 0.66 3.43 3.38 0.00 0.28 -4.57 105.19 110.67 1wdv n GLY 92 Ca -0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 1wdv n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wdv s TYR 93 N -2.15 2.28 0.48 1.61 1.51 -1.25 -5.06 117.35 114.76 1wdv s TYR 93 Ca 0.00 -0.36 -0.22 0.00 -1.01 0.00 0.00 57.07 55.49 1wdv s TYR 93 Cb 0.00 -1.10 -0.08 0.00 -0.11 0.00 0.00 41.96 40.68 1wdv s TYR 93 CO 0.00 0.54 1.11 -1.25 -1.11 0.00 0.00 175.55 174.84 1wdv s PRO 94 N -2.85 3.74 0.21 -1.71 0.04 -1.26 -4.19 135.00 128.97 1wdv s PRO 94 Ca 0.23 1.59 -0.10 0.00 0.04 0.00 0.00 61.00 62.76 1wdv s PRO 94 Cb -0.07 -2.26 0.30 0.00 0.04 0.00 0.00 34.50 32.50 1wdv s PRO 94 CO 0.11 -0.53 1.27 0.28 0.04 0.00 0.00 177.00 178.17 1wdv n VAL 95 N -0.72 -0.38 0.33 -0.36 0.31 -1.26 -0.02 118.33 116.22 1wdv n VAL 95 Ca 0.08 1.88 0.04 0.00 -0.01 0.00 0.00 64.34 66.34 1wdv n VAL 95 Cb 0.50 -2.56 0.18 0.00 -0.91 0.00 0.00 33.84 31.05 1wdv n VAL 95 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wdv n GLY 96 N -1.46 1.77 0.76 2.92 0.00 -1.26 -4.18 105.19 103.75 1wdv n GLY 96 Ca 0.11 -0.41 0.01 0.00 0.00 0.00 0.00 46.02 45.72 1wdv n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wdv n GLY 97 N 0.50 0.65 3.65 -0.02 0.00 0.96 -4.56 105.19 106.37 1wdv n GLY 97 Ca 0.13 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1wdv n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wdv s VAL 98 N 0.00 3.36 0.59 1.61 1.01 -1.15 -0.28 120.40 125.53 1wdv s VAL 98 Ca 0.09 0.42 -0.08 0.00 0.00 0.00 0.00 61.98 62.41 1wdv s VAL 98 Cb 0.10 -3.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 1wdv s VAL 98 CO -0.04 -0.08 0.93 -2.16 0.00 0.00 0.00 175.10 173.75 1wdv s PRO 99 N 4.54 3.22 0.00 2.72 0.04 -1.25 -3.52 135.00 140.75 1wdv s PRO 99 Ca 0.81 0.29 0.27 0.00 0.04 0.00 0.00 61.00 62.40 1wdv s PRO 99 Cb -0.35 -2.22 0.95 0.00 0.04 0.00 0.00 34.50 32.93 1wdv s PRO 99 CO 0.34 -0.60 1.69 -0.35 0.04 0.00 0.00 177.00 178.12 1wdv n PRO 100 N -2.61 1.72 -4.22 0.56 -0.04 -1.26 -4.85 135.00 124.30 1wdv n PRO 100 Ca 0.04 -1.05 -0.13 0.00 -0.04 0.00 0.00 63.50 62.32 1wdv n PRO 100 Cb 0.56 -1.47 -0.10 0.00 -0.04 0.00 0.00 33.50 32.45 1wdv n PRO 100 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1wdv s VAL 101 N -1.96 0.27 -1.52 0.52 -7.23 -1.26 -4.87 120.40 104.35 1wdv s VAL 101 Ca 0.37 -1.97 -0.03 0.00 -1.81 0.00 0.00 61.98 58.54 1wdv s VAL 101 Cb 0.20 -2.35 0.00 0.00 0.56 0.00 0.00 36.38 34.80 1wdv s VAL 101 CO 0.32 -0.20 0.33 0.00 -0.31 0.00 0.00 175.10 175.24 1wdv n ALA 102 N -0.26 -0.76 -2.26 1.32 0.00 -1.26 -4.89 120.51 112.40 1wdv n ALA 102 Ca -0.02 0.22 -0.20 0.00 0.00 0.00 0.00 53.44 53.44 1wdv n ALA 102 Cb 0.65 -3.00 0.01 0.00 0.00 0.00 0.00 19.45 17.11 1wdv n ALA 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wdv s LEU 103 N -5.91 3.70 0.40 0.00 1.43 -1.26 -4.91 118.68 112.14 1wdv s LEU 103 Ca 0.17 -0.06 -0.26 0.00 -1.03 0.00 0.00 54.13 52.95 1wdv s LEU 103 Cb -0.07 -2.88 -0.10 0.00 0.03 0.00 0.00 46.19 43.17 1wdv s LEU 103 CO 0.20 -0.69 1.28 -2.65 0.23 0.00 0.00 176.35 174.73 1wdv n PRO 104 N -1.93 2.01 0.00 1.29 -0.02 -1.26 -4.85 135.00 130.25 1wdv n PRO 104 Ca 0.03 0.71 0.01 0.00 -2.02 0.00 0.00 63.50 62.23 1wdv n PRO 104 Cb 0.58 -2.38 0.03 0.00 -0.02 0.00 0.00 33.50 31.71 1wdv n PRO 104 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1wdv n PRO 105 N 0.20 0.00 0.18 0.52 -0.04 -1.26 -1.96 135.00 132.64 1wdv n PRO 105 Ca 0.06 0.43 0.12 0.00 -0.04 0.00 0.00 63.50 64.06 1wdv n PRO 105 Cb 0.39 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.51 1wdv n PRO 105 CO 0.00 0.00 0.00 -2.95 -0.04 0.00 0.00 175.50 172.51 1wdv h ASN 106 N 0.00 0.00 -3.19 3.54 -1.07 -1.95 -3.45 115.58 109.46 1wdv h ASN 106 Ca 0.00 -0.01 -0.55 0.00 0.07 0.00 0.00 56.30 55.81 1wdv h ASN 106 Cb 0.02 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.25 1wdv h ASN 106 CO 0.00 0.00 0.60 -0.63 0.07 0.00 0.00 177.43 177.48 1wdv s ILE 107 N -3.23 4.45 -0.17 6.14 1.01 -0.83 -4.59 121.20 123.99 1wdv s ILE 107 Ca 0.06 1.75 -0.20 0.00 0.00 0.00 0.00 60.65 62.26 1wdv s ILE 107 Cb 0.07 -4.12 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 1wdv s ILE 107 CO 0.69 0.04 0.57 -0.69 0.00 0.00 0.00 174.94 175.54 1wdv s VAL 108 N 1.85 5.09 -0.03 2.92 1.01 -0.16 -4.85 120.40 126.22 1wdv s VAL 108 Ca 0.54 1.09 -0.20 0.00 0.00 0.00 0.00 61.98 63.41 1wdv s VAL 108 Cb -0.23 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 1wdv s VAL 108 CO 0.23 0.19 0.56 -0.22 0.00 0.00 0.00 175.10 175.86 1wdv s LEU 109 N 1.43 4.38 -0.05 3.92 2.96 -1.26 -0.66 118.68 129.41 1wdv s LEU 109 Ca 0.28 1.07 0.03 0.00 -0.22 0.00 0.00 54.13 55.29 1wdv s LEU 109 Cb -0.16 -2.86 0.01 0.00 0.50 0.00 0.00 46.19 43.68 1wdv s LEU 109 CO 0.11 0.08 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.40 1wdv s VAL 110 N -0.01 1.12 -0.11 1.68 1.01 0.09 -2.33 120.40 121.85 1wdv s VAL 110 Ca 0.30 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.80 1wdv s VAL 110 Cb -0.17 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.21 1wdv s VAL 110 CO 0.15 0.34 -0.23 -0.69 0.00 0.00 0.00 175.10 174.68 1wdv s VAL 111 N 0.39 2.00 0.14 2.92 1.01 0.09 -0.84 120.40 126.11 1wdv s VAL 111 Ca -0.09 -0.97 -0.31 0.00 0.00 0.00 0.00 61.98 60.61 1wdv s VAL 111 Cb -0.13 -1.75 -0.09 0.00 0.00 0.00 0.00 36.38 34.41 1wdv s VAL 111 CO 0.02 0.54 1.43 -0.62 0.00 0.00 0.00 175.10 176.48 1wdv s ASP 112 N 0.55 6.76 0.60 3.32 -1.08 -0.39 -1.80 116.67 124.63 1wdv s ASP 112 Ca -0.14 2.43 0.38 0.00 -0.52 0.00 0.00 52.55 54.70 1wdv s ASP 112 Cb -0.17 -2.59 1.92 0.00 -1.46 0.00 0.00 42.92 40.61 1wdv s ASP 112 CO 0.04 -0.69 2.20 0.08 0.52 0.00 0.00 175.17 177.32 1wdv h ARG 113 N 6.56 0.00 0.00 4.34 0.11 -1.46 -1.72 114.38 122.22 1wdv h ARG 113 Ca -0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.65 1wdv h ARG 113 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 1wdv h ARG 113 CO 0.86 0.02 0.00 0.97 0.10 0.00 0.00 179.97 181.92 1wdv h ILE 114 N 0.00 0.00 0.00 0.08 2.10 -1.90 -1.13 117.51 116.66 1wdv h ILE 114 Ca -0.00 -0.08 0.00 0.00 1.08 0.00 0.00 64.86 65.86 1wdv h ILE 114 Cb 0.22 1.02 0.00 0.00 -1.09 0.00 0.00 36.82 36.97 1wdv h ILE 114 CO 0.00 0.00 -0.23 0.18 -1.08 0.00 0.00 178.15 177.02 1wdv n LEU 115 N -2.98 0.55 0.22 2.19 4.77 -0.65 -4.27 117.00 116.84 1wdv n LEU 115 Ca -0.02 0.39 0.06 0.00 -0.03 0.00 0.00 56.01 56.41 1wdv n LEU 115 Cb 0.11 -0.32 0.50 0.00 -2.33 0.00 0.00 43.42 41.38 1wdv n LEU 115 CO 0.20 -0.07 0.88 -0.07 -1.33 0.00 0.00 177.39 177.00 1wdv h LEU 116 N 0.00 0.00 -0.03 2.23 3.38 -1.37 -2.18 115.31 117.35 1wdv h LEU 116 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wdv h LEU 116 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1wdv h LEU 116 CO 0.00 0.21 0.00 -1.54 0.09 0.00 0.00 178.44 177.20 1wdv n SER 117 N -4.19 0.35 -4.68 -0.43 3.41 -1.26 -4.60 113.62 102.21 1wdv n SER 117 Ca -0.02 0.54 -0.41 0.00 -0.26 0.00 0.00 58.87 58.71 1wdv n SER 117 Cb 0.28 -0.63 -0.04 0.00 -0.26 0.00 0.00 64.21 63.56 1wdv n SER 117 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1wdv s ARG 118 N -3.05 4.36 0.23 4.33 6.06 -0.82 -4.94 118.95 125.12 1wdv s ARG 118 Ca 0.12 1.10 0.05 0.00 -2.50 0.00 0.00 55.73 54.49 1wdv s ARG 118 Cb 0.16 -3.54 0.22 0.00 0.06 0.00 0.00 34.95 31.85 1wdv s ARG 118 CO 0.54 -0.24 1.54 0.87 -2.50 0.00 0.00 175.30 175.51 1wdv h LYS 119 N 7.15 0.21 -3.78 5.12 1.57 -1.86 -3.38 116.57 121.60 1wdv h LYS 119 Ca -0.32 -0.15 -0.33 0.00 -1.87 0.00 0.00 60.65 57.97 1wdv h LYS 119 Cb 1.15 0.03 -0.33 0.00 0.08 0.00 0.00 32.23 33.16 1wdv h LYS 119 CO 0.82 0.78 -0.74 0.21 -0.57 0.00 0.00 179.45 179.95 1wdv s LYS 120 N -3.67 0.27 0.23 3.15 2.20 -1.26 -4.12 119.74 116.53 1wdv s LYS 120 Ca -0.04 0.04 0.01 0.00 -0.36 0.00 0.00 55.97 55.62 1wdv s LYS 120 Cb 0.12 -0.41 -0.05 0.00 -1.51 0.00 0.00 37.83 35.98 1wdv s LYS 120 CO 0.80 -0.09 0.10 0.14 -0.36 0.00 0.00 175.35 175.93 1wdv s VAL 121 N 0.78 0.40 -0.19 4.02 -7.23 -0.25 -4.95 120.40 112.97 1wdv s VAL 121 Ca -0.08 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.10 1wdv s VAL 121 Cb -0.11 -2.54 0.05 0.00 0.56 0.00 0.00 36.38 34.34 1wdv s VAL 121 CO -0.01 -0.06 -0.07 -0.31 -0.31 0.00 0.00 175.10 174.34 1wdv s TYR 122 N -3.87 2.08 0.00 2.82 1.51 0.52 -1.36 117.35 119.04 1wdv s TYR 122 Ca 0.37 -1.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.02 1wdv s TYR 122 Cb 0.07 -1.47 0.00 0.00 -0.11 0.00 0.00 41.96 40.45 1wdv s TYR 122 CO 0.12 -0.70 0.00 0.41 -1.11 0.00 0.00 175.55 174.27 1wdv n GLY 123 N 4.77 3.90 3.74 0.71 0.00 0.41 -0.79 105.19 117.92 1wdv n GLY 123 Ca -0.13 -2.15 -0.41 0.00 0.00 0.00 0.00 46.02 43.33 1wdv n GLY 123 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wdv s GLY 124 N -1.14 2.49 0.00 -0.02 0.00 -1.23 -0.35 107.32 107.07 1wdv s GLY 124 Ca 0.00 1.19 0.23 0.00 0.00 0.00 0.00 44.72 46.14 1wdv s GLY 124 CO 0.00 2.11 1.38 0.61 0.00 0.00 0.00 173.10 177.20 1wdv n GLY 125 N 2.11 1.70 0.00 0.20 0.00 -0.12 -3.82 105.19 105.26 1wdv n GLY 125 Ca 0.05 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1wdv n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wdv n GLY 126 N 1.46 0.94 3.07 -0.02 0.00 0.61 -4.83 105.19 106.43 1wdv n GLY 126 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 1wdv n GLY 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wdv s ARG 127 N -0.77 0.53 0.54 1.61 1.81 -1.25 -4.57 118.95 116.84 1wdv s ARG 127 Ca 0.00 -0.89 0.22 0.00 -1.72 0.00 0.00 55.73 53.34 1wdv s ARG 127 Cb 0.00 0.19 1.39 0.00 -0.45 0.00 0.00 34.95 36.08 1wdv s ARG 127 CO 0.00 -0.11 2.09 0.93 -0.68 0.00 0.00 175.30 177.53 1wdv h GLU 128 N 3.73 0.00 -0.61 3.54 4.39 -1.89 -2.25 114.58 121.48 1wdv h GLU 128 Ca -0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.37 1wdv h GLU 128 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1wdv h GLU 128 CO 0.54 0.00 0.00 0.27 -1.16 0.00 0.00 179.01 178.66 1wdv n ASN 129 N -4.36 4.23 -4.18 1.42 6.94 -1.26 -4.37 115.26 113.68 1wdv n ASN 129 Ca 0.02 -2.29 -0.28 0.00 -0.02 0.00 0.00 54.58 52.01 1wdv n ASN 129 Cb 0.30 -0.50 -0.16 0.00 -2.36 0.00 0.00 39.78 37.06 1wdv n ASN 129 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wdv s ALA 130 N -1.54 1.77 -0.06 -2.53 0.00 -0.85 -4.38 121.76 114.18 1wdv s ALA 130 Ca 0.46 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.62 1wdv s ALA 130 Cb 0.28 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1wdv s ALA 130 CO 0.25 0.33 -0.12 -0.51 0.00 0.00 0.00 175.76 175.71 1wdv s LEU 131 N -0.01 2.86 -0.31 0.00 1.43 0.39 -0.94 118.68 122.09 1wdv s LEU 131 Ca -0.04 -0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 52.75 1wdv s LEU 131 Cb -0.13 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 1wdv s LEU 131 CO 0.03 0.33 0.36 -0.22 0.23 0.00 0.00 176.35 177.08 1wdv s LEU 132 N -0.65 4.22 -0.32 1.79 2.96 0.53 -0.23 118.68 126.99 1wdv s LEU 132 Ca 0.10 0.02 -0.21 0.00 -0.22 0.00 0.00 54.13 53.81 1wdv s LEU 132 Cb -0.11 -2.37 -0.00 0.00 0.50 0.00 0.00 46.19 44.21 1wdv s LEU 132 CO 0.01 -0.25 0.68 -0.70 -1.32 0.00 0.00 176.35 174.77 1wdv s GLU 133 N 2.04 3.88 0.24 1.98 2.12 0.66 -0.45 118.70 129.17 1wdv s GLU 133 Ca 0.13 0.35 -0.09 0.00 0.36 0.00 0.00 54.97 55.72 1wdv s GLU 133 Cb -0.16 -3.74 -0.01 0.00 0.26 0.00 0.00 34.13 30.47 1wdv s GLU 133 CO 0.11 -0.64 0.39 -0.59 -0.54 0.00 0.00 175.26 173.99 1wdv s PHE 134 N 2.75 0.59 -0.24 5.30 -0.12 -0.47 -2.12 117.98 123.68 1wdv s PHE 134 Ca 0.27 -0.91 -0.09 0.00 -0.05 0.00 0.00 56.93 56.15 1wdv s PHE 134 Cb -0.15 -0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.19 1wdv s PHE 134 CO 0.13 -0.91 0.13 0.45 -0.05 0.00 0.00 175.22 174.96 1wdv s SER 135 N -3.06 5.80 0.19 1.98 0.15 -1.26 -1.09 113.70 116.40 1wdv s SER 135 Ca 0.27 0.02 -0.12 0.00 0.70 0.00 0.00 55.95 56.82 1wdv s SER 135 Cb 0.01 -2.04 0.18 0.00 -1.71 0.00 0.00 66.02 62.46 1wdv s SER 135 CO 0.10 0.05 1.77 -0.65 1.20 0.00 0.00 173.24 175.71 1wdv h PRO 136 N 7.64 0.43 -0.93 5.44 0.11 -1.77 -0.60 132.00 142.32 1wdv h PRO 136 Ca -0.37 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 1wdv h PRO 136 Cb 1.17 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 1wdv h PRO 136 CO 0.63 0.28 0.53 0.00 -0.21 0.00 0.00 178.00 179.24 1wdv h ARG 137 N 0.44 1.28 -0.26 1.05 3.08 -1.84 -0.70 114.38 117.43 1wdv h ARG 137 Ca 0.25 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 60.08 1wdv h ARG 137 Cb 0.22 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1wdv h ARG 137 CO -0.21 0.92 -0.19 0.93 -1.07 0.00 0.00 179.97 180.34 1wdv h GLU 138 N 1.29 0.46 -0.21 0.04 5.08 -1.79 -0.67 114.58 118.79 1wdv h GLU 138 Ca 0.33 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1wdv h GLU 138 Cb -0.01 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1wdv h GLU 138 CO -0.06 0.64 0.04 1.25 -1.00 0.00 0.00 179.01 179.88 1wdv h LEU 139 N 0.42 0.32 -0.29 1.33 5.85 -0.29 -0.67 115.31 121.98 1wdv h LEU 139 Ca 0.07 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1wdv h LEU 139 Cb 0.57 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1wdv h LEU 139 CO 0.04 0.48 0.16 0.58 -0.34 0.00 0.00 178.44 179.36 1wdv h VAL 140 N 0.15 1.12 -0.75 1.05 2.07 -0.83 -2.17 116.25 116.89 1wdv h VAL 140 Ca 0.06 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 1wdv h VAL 140 Cb 0.29 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1wdv h VAL 140 CO 0.00 0.12 0.27 -0.08 0.02 0.00 0.00 177.57 177.90 1wdv h GLU 141 N 0.35 1.14 0.00 1.57 4.81 -0.99 0.49 114.58 121.95 1wdv h GLU 141 Ca 0.10 -0.22 -0.05 0.00 -0.13 0.00 0.00 59.36 59.06 1wdv h GLU 141 Cb 0.05 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1wdv h GLU 141 CO -0.02 0.95 -0.23 0.00 -0.73 0.00 0.00 179.01 178.98 1wdv h ALA 142 N 1.18 1.04 0.00 2.92 0.00 -0.91 -3.34 119.26 120.15 1wdv h ALA 142 Ca 0.25 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1wdv h ALA 142 Cb 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1wdv h ALA 142 CO -0.01 0.29 -0.84 0.25 0.00 0.00 0.00 179.25 178.93 1wdv n THR 143 N -3.42 0.00 -1.11 0.00 -2.24 -0.84 -4.99 114.28 101.69 1wdv n THR 143 Ca -0.00 -0.23 -0.04 0.00 -2.27 0.00 0.00 64.05 61.51 1wdv n THR 143 Cb 0.42 0.64 -0.02 0.00 -2.10 0.00 0.00 70.33 69.28 1wdv n THR 143 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wdv n GLY 144 N 1.72 0.67 3.58 3.38 0.00 0.14 -4.97 105.19 109.70 1wdv n GLY 144 Ca -0.00 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 44.99 1wdv n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wdv n ALA 145 N 1.07 -0.17 -2.58 4.61 0.00 -1.21 -4.93 120.51 117.31 1wdv n ALA 145 Ca -0.04 0.14 -0.42 0.00 0.00 0.00 0.00 53.44 53.12 1wdv n ALA 145 Cb 0.15 -2.02 -0.03 0.00 0.00 0.00 0.00 19.45 17.56 1wdv n ALA 145 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1wdv s VAL 146 N -1.40 4.53 -0.16 0.00 1.01 -0.98 -4.88 120.40 118.51 1wdv s VAL 146 Ca 0.67 1.82 -0.15 0.00 0.00 0.00 0.00 61.98 64.32 1wdv s VAL 146 Cb -0.52 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 31.65 1wdv s VAL 146 CO 0.55 0.02 0.36 -0.69 0.00 0.00 0.00 175.10 175.33 1wdv s VAL 147 N 1.98 5.26 0.29 2.92 1.01 -1.26 -0.73 120.40 129.86 1wdv s VAL 147 Ca 0.52 0.67 -0.07 0.00 0.00 0.00 0.00 61.98 63.10 1wdv s VAL 147 Cb -0.22 -3.69 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 1wdv s VAL 147 CO 0.21 0.34 0.45 0.00 0.00 0.00 0.00 175.10 176.10 1wdv s ALA 148 N 0.71 0.35 -0.54 5.51 0.00 -0.75 -4.90 121.76 122.15 1wdv s ALA 148 Ca 0.19 -1.25 -0.11 0.00 0.00 0.00 0.00 51.96 50.79 1wdv s ALA 148 Cb -0.14 1.13 0.14 0.00 0.00 0.00 0.00 23.12 24.25 1wdv s ALA 148 CO 0.06 -0.80 0.43 -0.51 0.00 0.00 0.00 175.76 174.94 1wdv s ASP 149 N -3.13 5.90 -0.07 0.00 1.01 -1.26 -1.09 116.67 118.02 1wdv s ASP 149 Ca 0.28 -2.03 0.11 0.00 0.71 0.00 0.00 52.55 51.62 1wdv s ASP 149 Cb 0.00 -2.07 0.16 0.00 1.01 0.00 0.00 42.92 42.02 1wdv s ASP 149 CO 0.14 -0.70 1.06 1.33 0.21 0.00 0.00 175.17 177.21 1wdv n VAL 150 N 4.80 1.17 -4.42 -1.27 0.24 -1.26 -4.85 118.33 112.74 1wdv n VAL 150 Ca -0.06 -1.39 -0.22 0.00 -2.04 0.00 0.00 64.34 60.64 1wdv n VAL 150 Cb 0.41 0.11 -0.10 0.00 -1.47 0.00 0.00 33.84 32.79 1wdv n VAL 150 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1wdv s SER 151 N -2.00 3.14 0.00 -1.34 1.04 -1.26 -0.70 113.70 112.58 1wdv s SER 151 Ca 0.18 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.56 1wdv s SER 151 Cb 0.16 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.05 1wdv s SER 151 CO 0.02 -0.09 0.00 -1.84 0.98 0.00 0.00 173.24 172.31