#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdv s ARG 9 N 0.00 4.46 0.33 3.69 0.52 -1.26 -5.06 118.95 121.63 2wdv s ARG 9 Ca 0.00 1.64 -0.11 0.00 -0.52 0.00 0.00 55.73 56.74 2wdv s ARG 9 Cb 0.00 -2.91 -0.07 0.00 0.52 0.00 0.00 34.95 32.48 2wdv s ARG 9 CO 0.00 0.09 0.70 -1.25 0.02 0.00 0.00 175.30 174.86 2wdv s PRO 10 N -1.88 3.85 0.10 3.54 0.04 -1.26 -5.11 135.00 134.27 2wdv s PRO 10 Ca 0.50 0.46 0.05 0.00 0.04 0.00 0.00 61.00 62.05 2wdv s PRO 10 Cb -0.27 -2.47 -0.03 0.00 0.04 0.00 0.00 34.50 31.76 2wdv s PRO 10 CO 0.34 0.12 -0.14 0.14 0.04 0.00 0.00 177.00 177.50 2wdv s VAL 11 N -2.11 1.18 -0.55 -0.36 -7.23 -1.26 -5.10 120.40 104.97 2wdv s VAL 11 Ca 0.51 -1.53 -0.22 0.00 -1.81 0.00 0.00 61.98 58.93 2wdv s VAL 11 Cb -0.10 -1.31 0.05 0.00 0.56 0.00 0.00 36.38 35.58 2wdv s VAL 11 CO 0.25 -0.36 0.82 0.21 -0.31 0.00 0.00 175.10 175.71 2wdv s ASN 12 N -2.15 6.27 -0.01 4.85 2.47 -1.26 -4.77 114.94 120.34 2wdv s ASN 12 Ca 0.04 -0.69 0.23 0.00 0.42 0.00 0.00 52.86 52.85 2wdv s ASN 12 Cb -0.07 -2.37 0.39 0.00 -1.45 0.00 0.00 41.25 37.75 2wdv s ASN 12 CO 0.02 -1.12 1.16 -0.11 -3.72 0.00 0.00 177.10 173.32 2wdv n LEU 13 N 6.96 0.99 -4.56 3.21 7.94 -1.26 -5.02 117.00 125.26 2wdv n LEU 13 Ca -0.03 -2.00 -0.29 0.00 -1.11 0.00 0.00 56.01 52.59 2wdv n LEU 13 Cb 0.46 -0.03 -0.05 0.00 0.53 0.00 0.00 43.42 44.34 2wdv n LEU 13 CO 0.60 0.52 1.37 -0.62 -1.11 0.00 0.00 177.39 178.15 2wdv s ASP 14 N -1.97 5.29 0.59 1.96 -1.08 -1.26 -4.83 116.67 115.37 2wdv s ASP 14 Ca 0.31 -0.72 0.30 0.00 -0.52 0.00 0.00 52.55 51.92 2wdv s ASP 14 Cb 0.35 -2.56 1.40 0.00 -1.46 0.00 0.00 42.92 40.65 2wdv s ASP 14 CO -0.15 -2.60 1.79 -0.07 0.52 0.00 0.00 175.17 174.66 2wdv h LEU 15 N 17.28 0.00 -1.46 -1.34 3.38 -1.96 0.31 115.31 131.52 2wdv h LEU 15 Ca 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2wdv h LEU 15 Cb 1.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 2wdv h LEU 15 CO 1.23 0.00 -0.02 1.56 0.09 0.00 0.00 178.44 181.30 2wdv h GLN 16 N 0.00 0.00 -0.67 1.13 4.20 -2.05 -3.14 115.11 114.59 2wdv h GLN 16 Ca 0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.02 2wdv h GLN 16 Cb 1.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.39 2wdv h GLN 16 CO -0.00 0.02 0.00 0.25 -0.67 0.00 0.00 178.83 178.43 2wdv n THR 17 N -3.13 1.54 -4.96 -0.54 -2.24 0.11 -4.93 114.28 100.13 2wdv n THR 17 Ca 0.00 -1.07 -0.28 0.00 -2.27 0.00 0.00 64.05 60.43 2wdv n THR 17 Cb 0.31 0.19 -0.16 0.00 -2.10 0.00 0.00 70.33 68.57 2wdv n THR 17 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2wdv s ILE 18 N -1.64 1.65 0.11 2.28 1.01 -1.19 -5.09 121.20 118.34 2wdv s ILE 18 Ca 0.48 -0.81 -0.31 0.00 0.00 0.00 0.00 60.65 60.02 2wdv s ILE 18 Cb 0.30 -1.43 -0.07 0.00 0.01 0.00 0.00 42.46 41.26 2wdv s ILE 18 CO 0.26 0.47 1.31 -0.13 0.00 0.00 0.00 174.94 176.84 2wdv s ARG 19 N 0.23 4.38 -0.20 2.79 1.81 -1.26 -5.03 118.95 121.66 2wdv s ARG 19 Ca -0.10 1.96 -0.02 0.00 -1.72 0.00 0.00 55.73 55.85 2wdv s ARG 19 Cb -0.15 -3.27 0.00 0.00 -0.45 0.00 0.00 34.95 31.09 2wdv s ARG 19 CO 0.05 -0.33 -0.11 -0.06 -0.68 0.00 0.00 175.30 174.17 2wdv s PHE 20 N 0.87 2.88 1.22 -0.53 0.08 -1.26 -5.12 117.98 116.12 2wdv s PHE 20 Ca 0.61 -1.20 -0.20 0.00 0.12 0.00 0.00 56.93 56.26 2wdv s PHE 20 Cb -0.34 -2.02 0.29 0.00 -0.57 0.00 0.00 43.02 40.38 2wdv s PHE 20 CO 0.31 -0.63 1.12 -1.25 -0.10 0.00 0.00 175.22 174.67 2wdv s PRO 21 N 1.34 -1.34 0.18 0.24 0.04 -1.26 -4.81 135.00 129.39 2wdv s PRO 21 Ca 0.04 -0.14 -0.06 0.00 0.04 0.00 0.00 61.00 60.88 2wdv s PRO 21 Cb -0.14 -1.59 0.07 0.00 0.04 0.00 0.00 34.50 32.88 2wdv s PRO 21 CO -0.07 -3.77 1.51 0.97 0.04 0.00 0.00 177.00 175.68 2wdv h ILE 22 N -2.62 1.29 -0.63 0.56 2.10 -1.99 -2.44 117.51 113.77 2wdv h ILE 22 Ca -0.44 -1.65 0.04 0.00 1.08 0.00 0.00 64.86 63.89 2wdv h ILE 22 Cb 1.29 1.57 -0.04 0.00 -1.09 0.00 0.00 36.82 38.55 2wdv h ILE 22 CO 0.32 0.53 0.42 0.71 -1.08 0.00 0.00 178.15 179.04 2wdv h THR 23 N 0.57 1.08 -0.14 2.19 1.35 -1.92 0.26 112.91 116.30 2wdv h THR 23 Ca 0.03 -0.25 -0.05 0.00 -0.55 0.00 0.00 66.41 65.59 2wdv h THR 23 Cb 1.02 0.28 -0.00 0.00 -1.73 0.00 0.00 68.15 67.71 2wdv h THR 23 CO 0.10 0.13 -0.12 0.00 -0.25 0.00 0.00 175.52 175.38 2wdv h ALA 24 N 1.63 0.20 -0.22 6.62 0.00 -1.85 -2.85 119.26 122.80 2wdv h ALA 24 Ca 0.25 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2wdv h ALA 24 Cb 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2wdv h ALA 24 CO -0.07 0.06 0.08 0.82 0.00 0.00 0.00 179.25 180.14 2wdv h ILE 25 N -0.04 0.95 -0.84 0.00 1.08 -0.90 -1.86 117.51 115.90 2wdv h ILE 25 Ca 0.02 -0.06 0.21 0.00 -0.39 0.00 0.00 64.86 64.64 2wdv h ILE 25 Cb 0.64 0.75 -0.13 0.00 -3.07 0.00 0.00 36.82 35.01 2wdv h ILE 25 CO 0.03 0.03 0.22 0.00 -0.69 0.00 0.00 178.15 177.74 2wdv h ALA 26 N 1.14 1.18 0.03 1.87 0.00 -0.50 -0.95 119.26 122.02 2wdv h ALA 26 Ca 0.10 0.21 -0.21 0.00 0.00 0.00 0.00 54.91 55.01 2wdv h ALA 26 Cb 0.06 0.29 0.02 0.00 0.00 0.00 0.00 17.79 18.16 2wdv h ALA 26 CO -0.10 -0.42 -0.83 1.03 0.00 0.00 0.00 179.25 178.93 2wdv h SER 27 N 0.23 0.68 -0.28 0.00 0.87 -1.11 -1.73 113.55 112.22 2wdv h SER 27 Ca 0.51 -0.78 -0.03 0.00 -1.23 0.00 0.00 61.79 60.26 2wdv h SER 27 Cb 0.98 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.72 2wdv h SER 27 CO -0.61 1.38 0.08 -0.29 -0.53 0.00 0.00 176.83 176.86 2wdv h ILE 28 N 0.07 1.17 -0.38 2.23 6.09 -0.99 -1.23 117.51 124.46 2wdv h ILE 28 Ca -0.11 -0.61 -0.02 0.00 -1.37 0.00 0.00 64.86 62.75 2wdv h ILE 28 Cb 1.53 0.81 -0.02 0.00 0.47 0.00 0.00 36.82 39.62 2wdv h ILE 28 CO 0.16 0.22 0.17 -0.07 -3.07 0.00 0.00 178.15 175.56 2wdv h LEU 29 N 0.52 0.51 -0.70 2.19 3.38 -1.10 -1.47 115.31 118.65 2wdv h LEU 29 Ca 0.12 -0.14 0.07 0.00 0.09 0.00 0.00 57.88 58.02 2wdv h LEU 29 Cb 0.21 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 2wdv h LEU 29 CO -0.00 0.51 0.38 -0.74 0.09 0.00 0.00 178.44 178.68 2wdv h HIS 30 N 0.48 0.69 -0.14 1.13 2.76 -0.33 0.41 115.15 120.15 2wdv h HIS 30 Ca 0.13 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 2wdv h HIS 30 Cb 0.15 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 28.89 2wdv h HIS 30 CO -0.01 0.30 0.05 -0.09 -1.30 0.00 0.00 177.93 176.89 2wdv h ARG 31 N 0.68 0.21 -0.26 5.26 2.43 -1.16 -2.11 114.38 119.42 2wdv h ARG 31 Ca 0.32 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.50 2wdv h ARG 31 Cb 0.25 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.72 2wdv h ARG 31 CO -0.21 0.32 -0.06 0.28 -1.51 0.00 0.00 179.97 178.79 2wdv h VAL 32 N 0.05 0.75 -0.10 0.20 2.07 -0.52 -2.00 116.25 116.71 2wdv h VAL 32 Ca 0.04 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.58 2wdv h VAL 32 Cb 0.19 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 2wdv h VAL 32 CO -0.00 0.00 0.07 0.77 0.02 0.00 0.00 177.57 178.43 2wdv h SER 33 N 0.01 0.06 -0.15 0.57 4.64 -0.12 -1.08 113.55 117.48 2wdv h SER 33 Ca 0.12 -0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.37 2wdv h SER 33 Cb 0.18 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2wdv h SER 33 CO -0.26 0.04 -0.20 1.23 -0.87 0.00 0.00 176.83 176.78 2wdv h GLY 34 N 0.07 0.44 0.95 -0.77 0.00 -0.69 -1.68 103.07 101.40 2wdv h GLY 34 Ca 0.04 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 2wdv h GLY 34 CO -0.01 0.43 0.18 -2.08 0.00 0.00 0.00 176.54 175.07 2wdv h VAL 35 N 0.02 1.16 -0.07 4.60 2.07 -0.69 -0.94 116.25 122.40 2wdv h VAL 35 Ca 0.02 -0.43 0.04 0.00 0.82 0.00 0.00 66.70 67.15 2wdv h VAL 35 Cb 0.76 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 31.26 2wdv h VAL 35 CO 0.05 0.16 -0.32 0.40 0.02 0.00 0.00 177.57 177.89 2wdv h ILE 36 N 0.44 0.30 -0.72 4.57 2.04 -1.28 -2.62 117.51 120.25 2wdv h ILE 36 Ca 0.12 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.09 2wdv h ILE 36 Cb 0.10 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 36.43 2wdv h ILE 36 CO -0.02 0.00 0.47 0.74 0.00 0.00 0.00 178.15 179.35 2wdv h THR 37 N -0.43 0.91 -0.11 -0.27 2.02 -0.93 0.15 112.91 114.25 2wdv h THR 37 Ca 0.08 -0.19 0.03 0.00 0.77 0.00 0.00 66.41 67.09 2wdv h THR 37 Cb 0.55 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 2wdv h THR 37 CO -0.31 0.10 -0.05 0.15 0.37 0.00 0.00 175.52 175.78 2wdv h PHE 38 N 0.57 -0.12 -0.06 3.16 3.57 -0.82 -1.36 116.94 121.88 2wdv h PHE 38 Ca 0.33 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.79 2wdv h PHE 38 Cb 0.54 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 2wdv h PHE 38 CO -0.00 -0.08 -0.21 0.28 -2.23 0.00 0.00 178.31 176.06 2wdv h VAL 39 N -0.04 1.19 -0.47 1.41 2.07 -0.97 -3.12 116.25 116.33 2wdv h VAL 39 Ca 0.06 -0.87 -0.09 0.00 0.82 0.00 0.00 66.70 66.62 2wdv h VAL 39 Cb 0.13 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 2wdv h VAL 39 CO -0.13 0.26 -0.09 0.00 0.02 0.00 0.00 177.57 177.62 2wdv h ALA 40 N 1.69 0.96 -0.77 1.67 0.00 -0.08 -2.98 119.26 119.75 2wdv h ALA 40 Ca 0.02 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2wdv h ALA 40 Cb 0.44 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2wdv h ALA 40 CO 0.03 0.61 0.47 0.28 0.00 0.00 0.00 179.25 180.64 2wdv h VAL 41 N 0.76 1.22 -0.37 0.00 2.07 -1.20 0.48 116.25 119.20 2wdv h VAL 41 Ca 0.13 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 2wdv h VAL 41 Cb 0.59 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 2wdv h VAL 41 CO 0.04 0.23 0.21 1.23 0.02 0.00 0.00 177.57 179.29 2wdv h GLY 42 N 1.06 0.55 1.00 2.17 0.00 -1.65 0.35 103.07 106.55 2wdv h GLY 42 Ca 0.28 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 2wdv h GLY 42 CO -0.05 0.24 -0.06 -2.22 0.00 0.00 0.00 176.54 174.44 2wdv h ILE 43 N 0.47 0.87 -1.00 2.60 2.04 -1.29 -1.93 117.51 119.27 2wdv h ILE 43 Ca 0.13 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.05 2wdv h ILE 43 Cb 0.05 0.87 -0.07 0.00 -0.74 0.00 0.00 36.82 36.94 2wdv h ILE 43 CO -0.02 0.00 0.65 -0.07 0.00 0.00 0.00 178.15 178.71 2wdv h LEU 44 N -0.17 1.05 -0.03 1.44 3.38 0.15 -2.57 115.31 118.56 2wdv h LEU 44 Ca -0.02 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2wdv h LEU 44 Cb 0.13 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2wdv h LEU 44 CO 0.03 0.68 0.01 -0.07 0.09 0.00 0.00 178.44 179.18 2wdv h LEU 45 N 1.20 0.05 -0.97 1.67 3.38 -0.08 -0.94 115.31 119.62 2wdv h LEU 45 Ca 0.43 -0.21 0.13 0.00 0.09 0.00 0.00 57.88 58.32 2wdv h LEU 45 Cb 0.13 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 40.78 2wdv h LEU 45 CO -0.16 0.24 0.59 -0.25 0.09 0.00 0.00 178.44 178.95 2wdv h TRP 46 N -0.15 1.06 -0.19 1.13 7.01 -1.16 0.15 115.95 123.80 2wdv h TRP 46 Ca 0.01 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.02 2wdv h TRP 46 Cb 0.21 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 26.94 2wdv h TRP 46 CO -0.00 0.37 0.04 1.25 -2.79 0.00 0.00 178.44 177.30 2wdv h LEU 47 N 0.88 0.29 -0.80 0.65 5.85 -1.18 -2.30 115.31 118.70 2wdv h LEU 47 Ca 0.50 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 59.01 2wdv h LEU 47 Cb 0.58 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 2wdv h LEU 47 CO -0.30 0.45 0.52 0.25 -0.34 0.00 0.00 178.44 179.02 2wdv h LEU 48 N 0.11 0.87 -1.14 2.25 5.85 -0.08 -1.98 115.31 121.19 2wdv h LEU 48 Ca 0.06 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 2wdv h LEU 48 Cb 0.28 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2wdv h LEU 48 CO 0.00 0.60 0.16 1.23 -0.34 0.00 0.00 178.44 180.09 2wdv h GLY 49 N 1.02 0.82 0.94 3.75 0.00 -0.60 -2.21 103.07 106.79 2wdv h GLY 49 Ca 0.31 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 2wdv h GLY 49 CO -0.10 0.42 -0.00 -0.84 0.00 0.00 0.00 176.54 176.01 2wdv h THR 50 N 0.75 1.26 0.00 4.70 2.02 -1.04 -2.93 112.91 117.67 2wdv h THR 50 Ca 0.17 -1.01 0.00 0.00 0.77 0.00 0.00 66.41 66.34 2wdv h THR 50 Cb 0.23 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 2wdv h THR 50 CO -0.01 0.34 0.00 -1.54 0.37 0.00 0.00 175.52 174.68 2wdv n SER 51 N -4.45 0.00 0.00 4.18 3.41 -0.78 -3.28 113.62 112.70 2wdv n SER 51 Ca -0.01 -1.50 0.00 0.00 -0.26 0.00 0.00 58.87 57.10 2wdv n SER 51 Cb 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 2wdv n SER 51 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wdv n LEU 52 N -0.71 0.00 0.18 1.04 4.77 -1.12 -4.43 117.00 116.73 2wdv n LEU 52 Ca 0.09 -0.22 0.03 0.00 -0.03 0.00 0.00 56.01 55.89 2wdv n LEU 52 Cb 0.04 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.45 2wdv n LEU 52 CO 0.07 0.00 0.66 0.77 -1.33 0.00 0.00 177.39 177.56 2wdv h SER 53 N 0.00 0.00 -5.29 -1.43 4.64 -1.50 -3.47 113.55 106.50 2wdv h SER 53 Ca 0.00 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.49 2wdv h SER 53 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.01 2wdv h SER 53 CO 0.00 0.43 0.46 -0.94 -0.87 0.00 0.00 176.83 175.90 2wdv s SER 54 N -6.64 -0.18 0.44 4.97 1.04 -1.26 -4.97 113.70 107.09 2wdv s SER 54 Ca -0.01 -0.43 0.13 0.00 0.48 0.00 0.00 55.95 56.11 2wdv s SER 54 Cb 0.12 0.52 0.98 0.00 0.10 0.00 0.00 66.02 67.74 2wdv s SER 54 CO 0.71 -0.95 2.01 -0.65 0.98 0.00 0.00 173.24 175.33 2wdv h PRO 55 N 2.00 0.12 0.01 4.02 0.11 -1.95 -2.66 132.00 133.66 2wdv h PRO 55 Ca -0.23 -0.02 -0.28 0.00 0.11 0.00 0.00 66.00 65.58 2wdv h PRO 55 Cb 1.23 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 2wdv h PRO 55 CO 0.25 0.22 -1.54 1.49 -0.21 0.00 0.00 178.00 178.21 2wdv h GLU 56 N 0.12 0.03 -0.28 1.05 4.81 -1.95 -2.84 114.58 115.52 2wdv h GLU 56 Ca 0.03 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2wdv h GLU 56 Cb 0.23 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2wdv h GLU 56 CO 0.01 0.69 0.15 0.78 -0.73 0.00 0.00 179.01 179.91 2wdv h GLY 57 N 3.16 0.43 0.55 1.92 0.00 -1.75 -2.16 103.07 105.22 2wdv h GLY 57 Ca -0.22 -0.20 0.06 0.00 0.00 0.00 0.00 47.33 46.98 2wdv h GLY 57 CO 0.10 0.19 0.17 -2.75 0.00 0.00 0.00 176.54 174.25 2wdv h PHE 58 N 0.34 0.30 -0.89 5.60 3.57 -1.51 0.13 116.94 124.48 2wdv h PHE 58 Ca 0.10 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.74 2wdv h PHE 58 Cb 0.07 -0.06 -0.08 0.00 2.79 0.00 0.00 35.95 38.67 2wdv h PHE 58 CO -0.03 0.10 0.52 0.93 -2.23 0.00 0.00 178.31 177.60 2wdv h GLU 59 N 0.34 0.79 -0.30 1.11 5.08 -1.35 0.17 114.58 120.43 2wdv h GLU 59 Ca 0.23 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.39 2wdv h GLU 59 Cb 0.24 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2wdv h GLU 59 CO -0.24 0.52 -0.44 0.37 -1.00 0.00 0.00 179.01 178.23 2wdv h GLN 60 N 0.82 0.76 -0.76 2.33 4.15 -0.60 -1.79 115.11 120.02 2wdv h GLN 60 Ca 0.45 -0.42 -0.04 0.00 0.77 0.00 0.00 58.65 59.41 2wdv h GLN 60 Cb 0.48 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.16 2wdv h GLN 60 CO -0.28 1.05 0.32 0.00 -1.93 0.00 0.00 178.83 177.98 2wdv h ALA 61 N 0.89 1.13 -0.95 3.38 0.00 0.27 0.14 119.26 124.11 2wdv h ALA 61 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2wdv h ALA 61 Cb 1.00 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 2wdv h ALA 61 CO 0.10 0.63 0.60 0.77 0.00 0.00 0.00 179.25 181.35 2wdv h SER 62 N 1.10 1.12 -0.44 0.00 0.02 -0.49 -1.76 113.55 113.10 2wdv h SER 62 Ca 0.26 -0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 61.06 2wdv h SER 62 Cb 0.18 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 2wdv h SER 62 CO -0.02 0.84 -0.09 0.00 -1.14 0.00 0.00 176.83 176.41 2wdv h ALA 63 N 1.33 0.61 -0.72 3.77 0.00 -0.69 -2.86 119.26 120.70 2wdv h ALA 63 Ca 0.35 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2wdv h ALA 63 Cb -0.10 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 2wdv h ALA 63 CO -0.07 0.49 0.48 0.82 0.00 0.00 0.00 179.25 180.96 2wdv h ILE 64 N 0.68 1.16 0.00 0.00 2.04 -0.35 -1.19 117.51 119.85 2wdv h ILE 64 Ca 0.11 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.65 2wdv h ILE 64 Cb 0.63 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 2wdv h ILE 64 CO 0.04 0.17 0.00 0.24 0.00 0.00 0.00 178.15 178.60 2wdv h MET 65 N 0.95 0.00 -0.20 2.37 2.86 -1.18 -3.22 114.93 116.50 2wdv h MET 65 Ca 0.27 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.74 2wdv h MET 65 Cb -0.07 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.59 2wdv h MET 65 CO -0.06 0.00 -0.57 0.78 1.06 0.00 0.00 176.91 178.12 2wdv h GLY 66 N 2.05 0.67 -5.32 8.32 0.00 -0.99 -3.41 103.07 104.39 2wdv h GLY 66 Ca 0.00 -0.79 -0.64 0.00 0.00 0.00 0.00 47.33 45.90 2wdv h GLY 66 CO 0.00 0.71 0.65 -1.26 0.00 0.00 0.00 176.54 176.63 2wdv n SER 67 N -3.96 2.36 -0.21 0.19 2.88 -1.22 -4.90 113.62 108.76 2wdv n SER 67 Ca -0.04 1.10 -0.06 0.00 -1.33 0.00 0.00 58.87 58.54 2wdv n SER 67 Cb 0.62 -1.29 0.04 0.00 -0.75 0.00 0.00 64.21 62.83 2wdv n SER 67 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2wdv h PHE 68 N 5.47 0.73 -0.89 0.66 3.57 -1.92 -1.64 116.94 122.93 2wdv h PHE 68 Ca -0.47 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.12 2wdv h PHE 68 Cb 1.30 -0.25 -0.06 0.00 2.79 0.00 0.00 35.95 39.73 2wdv h PHE 68 CO 0.63 0.45 0.55 0.35 -2.23 0.00 0.00 178.31 178.07 2wdv h PHE 69 N 0.78 1.03 -0.41 0.41 3.57 -1.97 -0.83 116.94 119.53 2wdv h PHE 69 Ca 0.23 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.63 2wdv h PHE 69 Cb -0.06 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.34 2wdv h PHE 69 CO -0.04 0.52 -0.22 0.28 -2.23 0.00 0.00 178.31 176.62 2wdv h VAL 70 N 1.00 1.28 -0.82 1.41 2.07 -1.79 -2.62 116.25 116.78 2wdv h VAL 70 Ca 0.39 -1.37 0.03 0.00 0.82 0.00 0.00 66.70 66.58 2wdv h VAL 70 Cb 0.19 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 2wdv h VAL 70 CO -0.18 0.46 0.54 0.11 0.02 0.00 0.00 177.57 178.52 2wdv h LYS 71 N 0.68 0.99 0.28 1.57 1.57 -0.43 0.16 116.57 121.40 2wdv h LYS 71 Ca 0.09 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2wdv h LYS 71 Cb 0.78 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2wdv h LYS 71 CO 0.06 0.65 -0.13 0.35 -0.57 0.00 0.00 179.45 179.81 2wdv h PHE 72 N 1.02 -0.35 -0.66 -1.35 3.57 -1.14 -1.18 116.94 116.85 2wdv h PHE 72 Ca 0.32 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.93 2wdv h PHE 72 Cb 0.03 0.12 -0.08 0.00 2.79 0.00 0.00 35.95 38.80 2wdv h PHE 72 CO -0.00 -0.02 0.24 0.82 -2.23 0.00 0.00 178.31 177.12 2wdv h ILE 73 N -0.72 0.72 -0.79 1.41 2.04 -1.12 -0.66 117.51 118.40 2wdv h ILE 73 Ca -0.04 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 2wdv h ILE 73 Cb 0.49 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 2wdv h ILE 73 CO 0.06 0.07 0.48 -0.03 0.00 0.00 0.00 178.15 178.73 2wdv h MET 74 N 0.41 1.06 -0.65 2.37 4.05 -0.64 -0.36 114.93 121.17 2wdv h MET 74 Ca 0.34 -0.09 -0.08 0.00 -0.28 0.00 0.00 59.70 59.59 2wdv h MET 74 Cb 0.47 -0.22 -0.02 0.00 -0.80 0.00 0.00 31.60 31.02 2wdv h MET 74 CO -0.35 0.75 0.08 2.35 0.23 0.00 0.00 176.91 179.96 2wdv h TRP 75 N 1.07 1.18 0.05 1.39 7.01 -0.06 -0.92 115.95 125.67 2wdv h TRP 75 Ca 0.28 -0.18 -0.00 0.00 2.11 0.00 0.00 58.89 61.10 2wdv h TRP 75 Cb -0.05 -0.32 0.00 0.00 -2.10 0.00 0.00 29.16 26.70 2wdv h TRP 75 CO -0.01 1.00 -0.02 0.78 -2.79 0.00 0.00 178.44 177.40 2wdv h GLY 76 N 1.01 -0.07 -0.28 2.65 0.00 -0.62 0.27 103.07 106.03 2wdv h GLY 76 Ca 0.19 0.02 0.13 0.00 0.00 0.00 0.00 47.33 47.68 2wdv h GLY 76 CO 0.02 -0.02 -0.16 -2.22 0.00 0.00 0.00 176.54 174.15 2wdv h ILE 77 N -0.33 0.36 0.00 2.60 2.04 -1.03 0.23 117.51 121.38 2wdv h ILE 77 Ca -0.01 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 2wdv h ILE 77 Cb 0.29 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2wdv h ILE 77 CO 0.01 0.00 -0.27 -0.07 0.00 0.00 0.00 178.15 177.83 2wdv h LEU 78 N -0.00 0.00 -0.03 1.44 3.38 -0.76 -1.64 115.31 117.70 2wdv h LEU 78 Ca 0.31 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.04 2wdv h LEU 78 Cb 0.47 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.24 2wdv h LEU 78 CO -0.66 0.27 -0.92 0.74 0.09 0.00 0.00 178.44 177.96 2wdv h THR 79 N 0.00 1.30 -0.24 0.22 2.02 0.15 -1.39 112.91 114.96 2wdv h THR 79 Ca -0.00 -2.15 0.02 0.00 0.77 0.00 0.00 66.41 65.05 2wdv h THR 79 Cb 0.63 2.33 -0.03 0.00 -1.74 0.00 0.00 68.15 69.34 2wdv h THR 79 CO 0.03 0.66 0.09 0.00 0.37 0.00 0.00 175.52 176.68 2wdv h ALA 80 N 0.42 0.27 -0.30 6.16 0.00 -0.49 -0.49 119.26 124.84 2wdv h ALA 80 Ca -0.11 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2wdv h ALA 80 Cb 1.57 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 2wdv h ALA 80 CO 0.18 -0.32 0.17 1.25 0.00 0.00 0.00 179.25 180.52 2wdv h LEU 81 N 0.20 0.37 -0.44 0.00 5.85 -1.30 0.36 115.31 120.35 2wdv h LEU 81 Ca 0.11 -0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.83 2wdv h LEU 81 Cb 0.07 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 40.93 2wdv h LEU 81 CO -0.10 0.34 -0.00 0.00 -0.34 0.00 0.00 178.44 178.34 2wdv h ALA 82 N 1.04 0.40 0.11 1.25 0.00 -1.14 0.23 119.26 121.15 2wdv h ALA 82 Ca 0.11 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2wdv h ALA 82 Cb 0.05 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2wdv h ALA 82 CO -0.02 -0.39 -0.05 -0.92 0.00 0.00 0.00 179.25 177.87 2wdv h TYR 83 N 0.11 -0.14 -0.40 0.00 3.20 -0.63 -0.68 116.97 118.44 2wdv h TYR 83 Ca 0.22 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.17 2wdv h TYR 83 Cb 0.31 0.05 -0.08 0.00 1.54 0.00 0.00 36.73 38.55 2wdv h TYR 83 CO -0.29 0.09 -0.15 1.25 -1.64 0.00 0.00 178.16 177.42 2wdv h HIS 84 N -0.35 -0.37 0.19 -3.82 2.76 -0.78 -0.89 115.15 111.89 2wdv h HIS 84 Ca -0.02 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 2wdv h HIS 84 Cb 0.29 0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.47 2wdv h HIS 84 CO -0.01 -0.23 -0.10 0.28 -1.30 0.00 0.00 177.93 176.57 2wdv h VAL 85 N -0.07 0.79 0.53 5.26 2.07 -0.71 0.55 116.25 124.67 2wdv h VAL 85 Ca 0.20 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.70 2wdv h VAL 85 Cb 0.37 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2wdv h VAL 85 CO -0.45 0.00 -0.31 0.58 0.02 0.00 0.00 177.57 177.41 2wdv h VAL 86 N -0.27 0.36 -0.01 2.57 2.07 -0.90 -1.73 116.25 118.35 2wdv h VAL 86 Ca -0.02 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 2wdv h VAL 86 Cb 0.21 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 2wdv h VAL 86 CO 0.03 0.00 -0.26 0.58 0.02 0.00 0.00 177.57 177.94 2wdv h VAL 87 N -0.79 1.19 -0.51 2.57 2.07 -1.12 -0.47 116.25 119.19 2wdv h VAL 87 Ca -0.06 -0.92 -0.06 0.00 0.82 0.00 0.00 66.70 66.47 2wdv h VAL 87 Cb 0.64 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 2wdv h VAL 87 CO 0.08 0.27 0.06 1.23 0.02 0.00 0.00 177.57 179.22 2wdv h GLY 88 N 0.81 0.88 1.26 2.17 0.00 -0.67 -0.39 103.07 107.13 2wdv h GLY 88 Ca 0.00 -0.55 -0.11 0.00 0.00 0.00 0.00 47.33 46.67 2wdv h GLY 88 CO 0.03 0.52 -0.15 -2.22 0.00 0.00 0.00 176.54 174.72 2wdv h ILE 89 N 0.78 1.27 -0.16 2.60 2.04 -0.17 -0.11 117.51 123.74 2wdv h ILE 89 Ca 0.16 -1.26 0.02 0.00 1.00 0.00 0.00 64.86 64.77 2wdv h ILE 89 Cb 0.39 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 2wdv h ILE 89 CO 0.01 0.43 0.04 -0.09 0.00 0.00 0.00 178.15 178.54 2wdv h ARG 90 N 0.76 0.11 -0.12 2.37 2.43 -0.99 0.14 114.38 119.08 2wdv h ARG 90 Ca 0.12 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.32 2wdv h ARG 90 Cb 0.67 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.16 2wdv h ARG 90 CO 0.05 0.07 -0.11 1.25 -1.51 0.00 0.00 179.97 179.72 2wdv h HIS 91 N 0.11 -0.27 0.00 2.20 2.76 -0.75 -2.20 115.15 116.99 2wdv h HIS 91 Ca 0.07 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.23 2wdv h HIS 91 Cb 0.06 0.14 -0.00 0.00 1.55 0.00 0.00 27.41 29.15 2wdv h HIS 91 CO -0.12 -0.17 -0.13 0.52 -1.30 0.00 0.00 177.93 176.73 2wdv h MET 92 N -0.13 0.00 0.00 5.26 2.86 -0.59 -1.67 114.93 120.67 2wdv h MET 92 Ca 0.08 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.61 2wdv h MET 92 Cb 0.25 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 2wdv h MET 92 CO -0.20 0.13 -0.53 0.52 1.06 0.00 0.00 176.91 177.89 2wdv h MET 93 N 0.00 0.00 -0.05 1.72 2.07 -0.16 -1.94 114.93 116.57 2wdv h MET 93 Ca -0.00 0.00 -0.19 0.00 -2.07 0.00 0.00 59.70 57.44 2wdv h MET 93 Cb 0.28 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.00 2wdv h MET 93 CO 0.02 0.53 -0.78 0.52 1.07 0.00 0.00 176.91 178.27 2wdv h MET 94 N 0.00 0.36 0.00 1.72 2.86 -0.81 0.14 114.93 119.21 2wdv h MET 94 Ca -0.01 -0.32 -0.02 0.00 -2.06 0.00 0.00 59.70 57.30 2wdv h MET 94 Cb 1.11 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.84 2wdv h MET 94 CO 0.07 0.97 -0.08 -0.44 1.06 0.00 0.00 176.91 178.49 2wdv h ASP 95 N 0.23 0.00 -0.40 1.22 3.32 -0.92 -2.50 116.42 117.38 2wdv h ASP 95 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2wdv h ASP 95 Cb 1.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.92 2wdv h ASP 95 CO 0.13 0.08 0.00 0.49 -1.72 0.00 0.00 179.24 178.22 2wdv n PHE 96 N -3.29 0.53 -0.90 4.55 3.72 -0.77 -4.97 117.46 116.33 2wdv n PHE 96 Ca -0.01 -0.47 0.00 0.00 -0.05 0.00 0.00 57.45 56.93 2wdv n PHE 96 Cb 0.28 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 2wdv n PHE 96 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wdv n GLY 97 N 0.74 0.78 0.13 1.37 0.00 -0.94 -4.90 105.19 102.37 2wdv n GLY 97 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 2wdv n GLY 97 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2wdv h TYR 98 N 0.00 0.00 -3.52 1.61 0.05 -1.04 -3.42 116.97 110.65 2wdv h TYR 98 Ca 0.00 0.00 -0.66 0.00 0.05 0.00 0.00 58.73 58.12 2wdv h TYR 98 Cb 0.00 0.00 -0.25 0.00 1.01 0.00 0.00 36.73 37.49 2wdv h TYR 98 CO 0.00 0.64 -0.75 -0.51 -1.05 0.00 0.00 178.16 176.50 2wdv s LEU 99 N -7.52 2.82 0.56 3.88 1.43 -0.35 -4.95 118.68 114.55 2wdv s LEU 99 Ca -0.01 -0.24 -0.19 0.00 -1.03 0.00 0.00 54.13 52.65 2wdv s LEU 99 Cb 0.12 -1.62 -0.05 0.00 0.03 0.00 0.00 46.19 44.67 2wdv s LEU 99 CO 0.77 0.23 1.16 -1.61 0.23 0.00 0.00 176.35 177.12 2wdv s GLU 100 N -0.01 3.24 -0.67 1.70 2.02 -1.26 -4.44 118.70 119.28 2wdv s GLU 100 Ca -0.03 1.69 -0.01 0.00 0.02 0.00 0.00 54.97 56.64 2wdv s GLU 100 Cb -0.14 -1.99 0.44 0.00 0.10 0.00 0.00 34.13 32.54 2wdv s GLU 100 CO 0.04 -0.96 1.97 0.39 0.02 0.00 0.00 175.26 176.72 2wdv n GLU 101 N -1.37 2.77 -3.66 1.61 1.02 -1.26 -4.43 120.64 115.31 2wdv n GLU 101 Ca 0.12 -3.40 -0.24 0.00 -0.02 0.00 0.00 57.16 53.62 2wdv n GLU 101 Cb 0.50 -2.29 -0.02 0.00 -0.02 0.00 0.00 31.44 29.62 2wdv n GLU 101 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2wdv s THR 102 N -4.86 5.19 0.33 2.62 -4.23 -1.26 -4.99 115.64 108.44 2wdv s THR 102 Ca 0.62 -0.56 0.08 0.00 -1.18 0.00 0.00 61.69 60.65 2wdv s THR 102 Cb 0.49 -3.81 0.08 0.00 1.34 0.00 0.00 72.50 70.60 2wdv s THR 102 CO -0.07 -0.34 1.78 0.15 -0.54 0.00 0.00 174.62 175.60 2wdv h PHE 103 N 1.37 0.22 0.23 3.99 3.57 -1.99 -1.16 116.94 123.16 2wdv h PHE 103 Ca -0.50 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 60.95 2wdv h PHE 103 Cb 1.21 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.89 2wdv h PHE 103 CO 0.51 0.51 -0.16 0.93 -2.23 0.00 0.00 178.31 177.87 2wdv h GLU 104 N 0.17 -0.36 -0.14 1.11 4.39 -1.97 -2.52 114.58 115.25 2wdv h GLU 104 Ca 0.02 0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.79 2wdv h GLU 104 Cb 0.67 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 2wdv h GLU 104 CO 0.05 -0.24 0.20 0.00 -1.16 0.00 0.00 179.01 177.86 2wdv h ALA 105 N -1.60 1.66 0.10 3.43 0.00 -1.83 0.58 119.26 121.61 2wdv h ALA 105 Ca -0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2wdv h ALA 105 Cb 0.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2wdv h ALA 105 CO 0.02 -0.27 -0.05 0.78 0.00 0.00 0.00 179.25 179.72 2wdv h GLY 106 N 0.00 -0.14 1.01 0.00 0.00 -1.16 -1.71 103.07 101.07 2wdv h GLY 106 Ca 0.07 0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 2wdv h GLY 106 CO -0.00 -0.05 0.40 0.50 0.00 0.00 0.00 176.54 177.39 2wdv h LYS 107 N -0.44 1.04 -0.52 4.80 1.57 -0.48 -1.61 116.57 120.93 2wdv h LYS 107 Ca -0.01 -0.12 -0.08 0.00 -1.87 0.00 0.00 60.65 58.57 2wdv h LYS 107 Cb 0.37 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 2wdv h LYS 107 CO 0.02 0.77 0.02 -0.09 -0.57 0.00 0.00 179.45 179.61 2wdv h ARG 108 N 1.02 0.90 -0.08 3.15 2.43 -1.26 -2.15 114.38 118.40 2wdv h ARG 108 Ca 0.26 -0.28 -0.14 0.00 -0.81 0.00 0.00 59.98 59.01 2wdv h ARG 108 Cb 0.04 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 2wdv h ARG 108 CO -0.04 0.91 -0.58 0.66 -1.51 0.00 0.00 179.97 179.41 2wdv h SER 109 N 0.77 0.28 -0.79 -3.80 4.64 -1.21 -2.43 113.55 111.02 2wdv h SER 109 Ca 0.15 -0.16 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 2wdv h SER 109 Cb 0.49 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 62.46 2wdv h SER 109 CO 0.02 0.80 0.36 0.00 -0.87 0.00 0.00 176.83 177.15 2wdv h ALA 110 N 1.20 1.14 -0.22 5.18 0.00 -1.01 -0.61 119.26 124.94 2wdv h ALA 110 Ca -0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 2wdv h ALA 110 Cb 1.08 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2wdv h ALA 110 CO 0.09 0.64 -0.37 0.87 0.00 0.00 0.00 179.25 180.48 2wdv h LYS 111 N 1.14 0.65 0.00 0.00 1.57 -1.31 -2.37 116.57 116.24 2wdv h LYS 111 Ca 0.27 -0.40 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 2wdv h LYS 111 Cb 0.14 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 2wdv h LYS 111 CO -0.03 1.01 -0.14 0.82 -0.57 0.00 0.00 179.45 180.54 2wdv h ILE 112 N 0.35 0.82 -0.20 1.86 2.04 -1.25 -1.47 117.51 119.66 2wdv h ILE 112 Ca 0.02 -0.52 -0.04 0.00 1.00 0.00 0.00 64.86 65.32 2wdv h ILE 112 Cb 0.96 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 2wdv h ILE 112 CO 0.08 0.13 -0.04 0.28 0.00 0.00 0.00 178.15 178.61 2wdv h SER 113 N 0.00 0.38 -0.63 1.72 0.02 -0.90 -2.52 113.55 111.62 2wdv h SER 113 Ca -0.00 -0.35 -0.02 0.00 -0.84 0.00 0.00 61.79 60.58 2wdv h SER 113 Cb 0.29 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 2wdv h SER 113 CO 0.02 0.64 0.33 -0.26 -1.14 0.00 0.00 176.83 176.42 2wdv h PHE 114 N 0.11 0.87 0.24 3.45 0.04 -0.77 -0.29 116.94 120.59 2wdv h PHE 114 Ca 0.05 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 2wdv h PHE 114 Cb 0.47 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.35 2wdv h PHE 114 CO 0.05 0.64 -0.12 0.28 -0.60 0.00 0.00 178.31 178.56 2wdv h VAL 115 N 0.85 0.76 -0.43 -0.55 2.07 -1.40 0.11 116.25 117.66 2wdv h VAL 115 Ca 0.22 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.83 2wdv h VAL 115 Cb 0.07 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2wdv h VAL 115 CO -0.03 0.00 0.30 0.40 0.02 0.00 0.00 177.57 178.26 2wdv h ILE 116 N -0.33 0.88 -0.01 4.57 2.04 -1.16 -0.99 117.51 122.50 2wdv h ILE 116 Ca -0.03 -0.07 -0.16 0.00 1.00 0.00 0.00 64.86 65.60 2wdv h ILE 116 Cb 0.25 0.67 0.01 0.00 -0.74 0.00 0.00 36.82 37.01 2wdv h ILE 116 CO 0.05 0.04 -0.62 0.74 0.00 0.00 0.00 178.15 178.36 2wdv h THR 117 N 0.19 1.41 -0.45 -0.27 2.02 -0.61 -2.06 112.91 113.14 2wdv h THR 117 Ca 0.20 -2.06 0.03 0.00 0.77 0.00 0.00 66.41 65.35 2wdv h THR 117 Cb 0.54 2.53 -0.03 0.00 -1.74 0.00 0.00 68.15 69.45 2wdv h THR 117 CO -0.03 0.60 0.25 0.58 0.37 0.00 0.00 175.52 177.29 2wdv h VAL 118 N -0.05 1.02 -0.45 3.16 2.07 -0.18 0.20 116.25 122.02 2wdv h VAL 118 Ca -0.07 -0.17 0.08 0.00 0.82 0.00 0.00 66.70 67.35 2wdv h VAL 118 Cb 1.32 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 31.49 2wdv h VAL 118 CO 0.12 0.09 0.05 0.58 0.02 0.00 0.00 177.57 178.44 2wdv h VAL 119 N 0.51 0.71 0.00 2.57 2.07 -1.22 -0.94 116.25 119.95 2wdv h VAL 119 Ca 0.19 -0.06 -0.09 0.00 0.82 0.00 0.00 66.70 67.56 2wdv h VAL 119 Cb 0.05 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2wdv h VAL 119 CO -0.10 0.03 -0.42 -0.07 0.02 0.00 0.00 177.57 177.03 2wdv h LEU 120 N 0.17 0.00 -0.90 2.57 3.38 -0.93 -2.40 115.31 117.21 2wdv h LEU 120 Ca 0.22 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.08 2wdv h LEU 120 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2wdv h LEU 120 CO -0.32 0.42 -0.41 -1.28 0.09 0.00 0.00 178.44 176.94 2wdv h SER 121 N 0.00 0.31 -0.04 -0.43 0.87 0.67 0.58 113.55 115.52 2wdv h SER 121 Ca -0.00 -0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.37 2wdv h SER 121 Cb 0.83 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 2wdv h SER 121 CO 0.05 0.69 -0.20 -0.07 -0.53 0.00 0.00 176.83 176.78 2wdv h LEU 122 N 0.25 0.24 -1.80 2.23 3.38 -1.17 -1.33 115.31 117.11 2wdv h LEU 122 Ca 0.02 -0.67 0.09 0.00 0.09 0.00 0.00 57.88 57.42 2wdv h LEU 122 Cb 0.83 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 2wdv h LEU 122 CO 0.07 0.87 0.32 -0.07 0.09 0.00 0.00 178.44 179.71 2wdv h LEU 123 N -0.38 0.21 -0.33 1.67 3.38 -1.26 0.17 115.31 118.78 2wdv h LEU 123 Ca -0.01 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.77 2wdv h LEU 123 Cb 0.86 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2wdv h LEU 123 CO 0.04 0.13 -0.66 0.00 0.09 0.00 0.00 178.44 178.04 2wdv h ALA 124 N 1.76 0.50 0.34 1.53 0.00 -0.79 -1.51 119.26 121.09 2wdv h ALA 124 Ca 0.22 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2wdv h ALA 124 Cb 0.55 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2wdv h ALA 124 CO -0.04 0.70 -0.18 0.78 0.00 0.00 0.00 179.25 180.51 2wdv h GLY 125 N 0.87 -0.51 0.16 0.00 0.00 0.26 -2.63 103.07 101.21 2wdv h GLY 125 Ca -0.02 0.20 0.05 0.00 0.00 0.00 0.00 47.33 47.56 2wdv h GLY 125 CO 0.13 -0.19 -0.30 -2.08 0.00 0.00 0.00 176.54 174.11 2wdv h VAL 126 N -0.49 0.32 0.00 4.60 2.07 -0.79 0.10 116.25 122.07 2wdv h VAL 126 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2wdv h VAL 126 Cb 0.39 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2wdv h VAL 126 CO 0.06 0.00 0.03 -0.11 0.02 0.00 0.00 177.57 177.57 2wdv n LEU 127 N -5.40 0.00 -0.24 2.57 0.00 -0.57 -5.10 117.00 108.26 2wdv n LEU 127 Ca -0.02 0.12 0.03 0.00 0.00 0.00 0.00 56.01 56.14 2wdv n LEU 127 Cb 0.31 -0.12 0.02 0.00 0.00 0.00 0.00 43.42 43.63 2wdv n LEU 127 CO 0.15 -0.12 0.34 0.52 0.00 0.00 0.00 177.39 178.28