#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wyn n SER 2 N 0.00 -4.95 -0.01 1.61 2.88 -1.26 -4.94 113.62 106.94 1wyn n SER 2 Ca 0.00 -0.48 -0.17 0.00 -1.33 0.00 0.00 58.87 56.89 1wyn n SER 2 Cb 0.00 -4.41 -0.14 0.00 -0.75 0.00 0.00 64.21 58.92 1wyn n SER 2 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1wyn h SER 3 N -2.18 0.23 0.00 -3.46 0.02 -2.05 -3.46 113.55 102.65 1wyn h SER 3 Ca -0.49 -0.95 0.00 0.00 -0.84 0.00 0.00 61.79 59.51 1wyn h SER 3 Cb 1.31 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1wyn h SER 3 CO 0.47 1.23 0.00 0.61 -1.14 0.00 0.00 176.83 178.00 1wyn n GLY 4 N 1.64 -1.27 3.80 -3.77 0.00 -1.26 -5.12 105.19 99.20 1wyn n GLY 4 Ca -0.14 0.51 -0.22 0.00 0.00 0.00 0.00 46.02 46.17 1wyn n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wyn s SER 5 N 0.00 5.02 -0.14 1.61 1.04 -1.26 -5.13 113.70 114.84 1wyn s SER 5 Ca 0.00 -0.61 -0.05 0.00 0.48 0.00 0.00 55.95 55.77 1wyn s SER 5 Cb 0.00 -0.88 0.07 0.00 0.10 0.00 0.00 66.02 65.31 1wyn s SER 5 CO 0.00 -0.31 0.29 -0.94 0.98 0.00 0.00 173.24 173.25 1wyn s SER 6 N -3.92 0.19 0.00 7.02 1.04 -1.26 -5.01 113.70 111.77 1wyn s SER 6 Ca 0.39 0.65 0.00 0.00 0.48 0.00 0.00 55.95 57.47 1wyn s SER 6 Cb -0.04 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.84 1wyn s SER 6 CO 0.25 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.85 1wyn n GLY 7 N 5.22 0.00 3.64 7.32 0.00 -1.26 -5.17 105.19 114.94 1wyn n GLY 7 Ca -0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 1wyn n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wyn s ASN 8 N 0.00 -0.62 0.30 1.61 2.47 -1.26 -5.18 114.94 112.26 1wyn s ASN 8 Ca 0.00 1.09 0.04 0.00 0.42 0.00 0.00 52.86 54.41 1wyn s ASN 8 Cb 0.00 1.17 -0.03 0.00 -1.45 0.00 0.00 41.25 40.94 1wyn s ASN 8 CO 0.00 -0.18 0.20 0.00 -3.72 0.00 0.00 177.10 173.40 1wyn s ARG 9 N 0.82 1.60 0.89 0.43 1.70 -1.26 -5.17 118.95 117.96 1wyn s ARG 9 Ca -0.03 -1.91 -0.14 0.00 -0.47 0.00 0.00 55.73 53.18 1wyn s ARG 9 Cb -0.05 0.13 0.14 0.00 -0.57 0.00 0.00 34.95 34.61 1wyn s ARG 9 CO -0.10 -0.52 1.25 -0.48 -1.08 0.00 0.00 175.30 174.37 1wyn s LEU 10 N -3.34 2.60 -1.16 -1.89 0.05 -1.26 -4.22 118.68 109.46 1wyn s LEU 10 Ca 0.38 0.52 -0.11 0.00 0.05 0.00 0.00 54.13 54.97 1wyn s LEU 10 Cb 0.04 -2.77 0.01 0.00 -2.05 0.00 0.00 46.19 41.42 1wyn s LEU 10 CO 0.20 -2.35 0.20 0.18 -0.55 0.00 0.00 176.35 174.03 1wyn n LEU 11 N -3.56 -0.52 -4.33 1.48 4.77 -1.26 -4.89 117.00 108.69 1wyn n LEU 11 Ca 0.12 -1.05 -0.35 0.00 -0.03 0.00 0.00 56.01 54.69 1wyn n LEU 11 Cb 0.60 -1.29 -0.14 0.00 -2.33 0.00 0.00 43.42 40.26 1wyn n LEU 11 CO 0.51 0.49 -0.37 -0.55 -1.33 0.00 0.00 177.39 176.14 1wyn s SER 12 N -4.01 4.40 0.00 -1.43 0.15 -1.26 -4.92 113.70 106.63 1wyn s SER 12 Ca 0.15 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.43 1wyn s SER 12 Cb -0.08 -1.76 0.00 0.00 -1.71 0.00 0.00 66.02 62.47 1wyn s SER 12 CO 0.81 -0.02 0.17 2.29 1.20 0.00 0.00 173.24 177.69 1wyn n LYS 13 N 4.80 0.58 -3.67 5.44 2.85 -1.26 -5.03 118.16 121.87 1wyn n LYS 13 Ca -0.18 -0.17 -0.02 0.00 -1.05 0.00 0.00 58.31 56.89 1wyn n LYS 13 Cb 0.51 -0.59 -0.01 0.00 -0.65 0.00 0.00 35.03 34.28 1wyn n LYS 13 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 177.40 176.88 1wyn s TYR 14 N -0.13 -0.12 -0.30 5.58 6.14 -1.26 -4.53 117.35 122.73 1wyn s TYR 14 Ca 0.00 -0.08 -0.17 0.00 0.64 0.00 0.00 57.07 57.46 1wyn s TYR 14 Cb 0.00 0.59 0.18 0.00 0.42 0.00 0.00 41.96 43.15 1wyn s TYR 14 CO 0.00 -0.55 1.15 0.34 0.64 0.00 0.00 175.55 177.14 1wyn s ASP 15 N -2.85 -0.30 0.00 4.32 -1.08 -1.26 -5.01 116.67 110.49 1wyn s ASP 15 Ca 0.12 0.40 0.15 0.00 -0.52 0.00 0.00 52.55 52.70 1wyn s ASP 15 Cb 0.01 1.34 0.70 0.00 -1.46 0.00 0.00 42.92 43.50 1wyn s ASP 15 CO -0.02 -0.06 1.43 -0.81 0.52 0.00 0.00 175.17 176.24 1wyn n PRO 16 N 4.78 0.13 -0.06 4.34 -0.04 -1.26 -2.05 135.00 140.83 1wyn n PRO 16 Ca -0.08 0.19 -0.04 0.00 -0.04 0.00 0.00 63.50 63.53 1wyn n PRO 16 Cb 0.54 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.38 1wyn n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wyn n GLN 17 N -1.37 1.33 0.09 0.54 10.64 -1.26 -4.55 117.38 122.81 1wyn n GLN 17 Ca 0.06 -0.04 -0.22 0.00 -1.83 0.00 0.00 57.00 54.97 1wyn n GLN 17 Cb 0.14 -1.39 -0.14 0.00 -0.86 0.00 0.00 30.24 27.99 1wyn n GLN 17 CO 0.00 0.00 0.00 0.87 -1.83 0.00 0.00 177.06 176.10 1wyn h LYS 18 N 0.00 0.55 -1.25 2.61 1.79 -1.89 -3.29 116.57 115.10 1wyn h LYS 18 Ca -0.33 -0.79 0.42 0.00 -2.18 0.00 0.00 60.65 57.77 1wyn h LYS 18 Cb 1.69 0.27 -0.14 0.00 -1.58 0.00 0.00 32.23 32.48 1wyn h LYS 18 CO 0.02 1.36 0.78 1.49 -1.08 0.00 0.00 179.45 182.02 1wyn h GLU 19 N 0.13 0.09 -0.18 3.15 4.81 -1.65 1.30 114.58 122.23 1wyn h GLU 19 Ca -0.19 -0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 58.85 1wyn h GLU 19 Cb 1.90 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 31.26 1wyn h GLU 19 CO 0.23 0.06 -0.64 0.00 -0.73 0.00 0.00 179.01 177.93 1wyn h ALA 20 N 1.68 0.53 -0.53 2.92 0.00 -1.82 -2.97 119.26 119.06 1wyn h ALA 20 Ca 0.82 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1wyn h ALA 20 Cb 2.45 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 20.15 1wyn h ALA 20 CO -0.49 0.70 0.35 0.93 0.00 0.00 0.00 179.25 180.74 1wyn h GLU 21 N 0.48 0.67 0.11 0.00 5.08 0.16 -0.89 114.58 120.19 1wyn h GLU 21 Ca -0.01 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1wyn h GLU 21 Cb 1.23 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1wyn h GLU 21 CO 0.13 0.45 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.46 1wyn h LEU 22 N 0.69 -0.13 -1.46 1.33 3.38 -1.33 -1.66 115.31 116.13 1wyn h LEU 22 Ca 0.20 0.00 0.33 0.00 0.09 0.00 0.00 57.88 58.50 1wyn h LEU 22 Cb -0.04 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.64 1wyn h LEU 22 CO -0.05 -0.03 0.75 0.08 0.09 0.00 0.00 178.44 179.28 1wyn h ARG 23 N -0.26 0.24 0.00 1.13 0.11 -1.53 1.29 114.38 115.36 1wyn h ARG 23 Ca -0.02 -0.01 -0.11 0.00 0.10 0.00 0.00 59.98 59.94 1wyn h ARG 23 Cb 0.12 -0.06 -0.02 0.00 1.11 0.00 0.00 29.97 31.12 1wyn h ARG 23 CO 0.03 0.16 -0.52 1.15 0.10 0.00 0.00 179.97 180.89 1wyn h THR 24 N 0.25 1.13 0.00 0.08 2.02 -1.20 0.69 112.91 115.88 1wyn h THR 24 Ca 0.66 -1.94 -0.17 0.00 0.77 0.00 0.00 66.41 65.74 1wyn h THR 24 Cb 1.93 2.12 -0.03 0.00 -1.74 0.00 0.00 68.15 70.44 1wyn h THR 24 CO -0.30 0.51 -1.31 -0.25 0.37 0.00 0.00 175.52 174.54 1wyn h TRP 25 N 0.00 0.00 0.00 3.16 7.01 0.23 -3.33 115.95 123.02 1wyn h TRP 25 Ca -0.01 0.00 -0.07 0.00 2.11 0.00 0.00 58.89 60.92 1wyn h TRP 25 Cb 1.08 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.13 1wyn h TRP 25 CO 0.00 0.61 -0.56 0.82 -2.79 0.00 0.00 178.44 176.51 1wyn h ILE 26 N 0.00 0.59 -1.28 2.65 2.04 0.04 -3.09 117.51 118.45 1wyn h ILE 26 Ca -0.15 -1.60 0.37 0.00 1.00 0.00 0.00 64.86 64.49 1wyn h ILE 26 Cb 1.59 1.27 -0.05 0.00 -0.74 0.00 0.00 36.82 38.89 1wyn h ILE 26 CO 0.05 0.20 0.95 -0.33 0.00 0.00 0.00 178.15 179.02 1wyn h GLU 27 N -1.00 0.00 0.14 2.37 5.08 -1.06 0.41 114.58 120.52 1wyn h GLU 27 Ca -0.11 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.94 1wyn h GLU 27 Cb 0.74 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 1wyn h GLU 27 CO -0.07 0.00 -1.54 0.78 -1.00 0.00 0.00 179.01 177.18 1wyn h GLY 28 N 0.00 0.33 0.54 -3.84 0.00 -1.70 -1.09 103.07 97.31 1wyn h GLY 28 Ca 0.61 -0.84 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 1wyn h GLY 28 CO -0.01 0.74 -0.26 1.41 0.00 0.00 0.00 176.54 178.42 1wyn h LEU 29 N 0.08 -0.62 -0.39 3.11 3.38 -0.12 -3.26 115.31 117.49 1wyn h LEU 29 Ca -0.25 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.62 1wyn h LEU 29 Cb 2.03 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.93 1wyn h LEU 29 CO 0.17 -0.40 -0.57 0.71 0.09 0.00 0.00 178.44 178.44 1wyn h THR 30 N -0.81 1.10 -0.00 0.22 1.35 -1.55 -3.47 112.91 109.74 1wyn h THR 30 Ca -0.07 -2.23 -0.00 0.00 -0.55 0.00 0.00 66.41 63.56 1wyn h THR 30 Cb 0.56 2.32 -0.00 0.00 -1.73 0.00 0.00 68.15 69.30 1wyn h THR 30 CO 0.12 0.56 -0.00 0.61 -0.25 0.00 0.00 175.52 176.56 1wyn n GLY 31 N 0.82 0.43 3.19 5.82 0.00 -0.42 -5.04 105.19 110.00 1wyn n GLY 31 Ca 0.01 -0.62 -0.16 0.00 0.00 0.00 0.00 46.02 45.24 1wyn n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wyn n LEU 32 N -0.00 0.00 -4.35 0.99 4.77 -1.19 -4.97 117.00 112.24 1wyn n LEU 32 Ca -0.00 -2.00 -0.31 0.00 -0.03 0.00 0.00 56.01 53.67 1wyn n LEU 32 Cb 0.00 -0.37 -0.15 0.00 -2.33 0.00 0.00 43.42 40.57 1wyn n LEU 32 CO 0.00 -0.70 -0.55 -0.55 -1.33 0.00 0.00 177.39 174.26 1wyn s SER 33 N -3.99 3.27 -0.06 -1.43 0.15 -1.26 -4.59 113.70 105.79 1wyn s SER 33 Ca 0.50 -0.46 -0.08 0.00 0.70 0.00 0.00 55.95 56.61 1wyn s SER 33 Cb -0.04 -0.42 -0.29 0.00 -1.71 0.00 0.00 66.02 63.56 1wyn s SER 33 CO 0.32 0.30 0.63 0.40 1.20 0.00 0.00 173.24 176.09 1wyn h ILE 34 N 4.36 0.89 0.00 6.45 2.04 -1.92 -3.49 117.51 125.83 1wyn h ILE 34 Ca -0.45 -2.51 0.00 0.00 1.00 0.00 0.00 64.86 62.90 1wyn h ILE 34 Cb 1.13 2.70 0.00 0.00 -0.74 0.00 0.00 36.82 39.91 1wyn h ILE 34 CO 0.47 0.85 0.00 0.61 0.00 0.00 0.00 178.15 180.08 1wyn n GLY 35 N 1.86 -0.98 0.00 5.37 0.00 -1.26 -3.73 105.19 106.44 1wyn n GLY 35 Ca -0.25 -2.19 0.07 0.00 0.00 0.00 0.00 46.02 43.66 1wyn n GLY 35 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wyn n PRO 36 N -0.09 0.29 -3.90 1.61 -0.04 -1.26 -4.70 135.00 126.91 1wyn n PRO 36 Ca 0.00 0.10 -0.11 0.00 -0.04 0.00 0.00 63.50 63.46 1wyn n PRO 36 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 1wyn n PRO 36 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1wyn s ASP 37 N -2.40 0.08 -0.09 3.54 2.15 -1.26 -5.09 116.67 113.60 1wyn s ASP 37 Ca 0.17 -0.27 -0.05 0.00 0.43 0.00 0.00 52.55 52.83 1wyn s ASP 37 Cb 0.10 0.18 -0.02 0.00 -0.30 0.00 0.00 42.92 42.88 1wyn s ASP 37 CO 0.21 -0.33 -0.09 0.15 -0.17 0.00 0.00 175.17 174.93 1wyn h PHE 38 N 4.47 0.00 -0.96 -5.34 3.57 -1.88 -2.96 116.94 113.84 1wyn h PHE 38 Ca -0.31 0.00 0.30 0.00 3.53 0.00 0.00 57.97 61.50 1wyn h PHE 38 Cb 1.20 0.00 -0.16 0.00 2.79 0.00 0.00 35.95 39.78 1wyn h PHE 38 CO 0.60 0.00 0.40 0.37 -2.23 0.00 0.00 178.31 177.45 1wyn h GLN 39 N -0.67 0.20 0.00 1.11 -0.00 -1.97 -0.83 115.11 112.95 1wyn h GLN 39 Ca 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1wyn h GLN 39 Cb 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.70 1wyn h GLN 39 CO 0.00 0.13 -0.00 0.87 0.00 0.00 0.00 178.83 179.83 1wyn h LYS 40 N 0.20 -0.00 -0.82 1.69 1.57 -1.92 0.53 116.57 117.83 1wyn h LYS 40 Ca 0.68 0.00 0.32 0.00 -1.87 0.00 0.00 60.65 59.78 1wyn h LYS 40 Cb 1.54 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.73 1wyn h LYS 40 CO -0.68 -0.00 0.48 0.41 -0.57 0.00 0.00 179.45 179.08 1wyn n GLY 41 N 0.81 -0.56 0.11 3.86 0.00 -0.99 0.21 105.19 108.62 1wyn n GLY 41 Ca -0.00 0.57 -0.15 0.00 0.00 0.00 0.00 46.02 46.45 1wyn n GLY 41 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wyn h LEU 42 N 0.00 0.20 -0.48 0.99 3.38 -1.23 -3.40 115.31 114.78 1wyn h LEU 42 Ca 0.62 -0.45 0.04 0.00 0.09 0.00 0.00 57.88 58.19 1wyn h LEU 42 Cb 1.77 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 42.40 1wyn h LEU 42 CO -0.48 1.40 -0.28 1.17 0.09 0.00 0.00 178.44 180.34 1wyn n LYS 43 N -3.26 -0.21 -0.59 1.13 4.81 0.56 0.13 118.16 120.73 1wyn n LYS 43 Ca -0.23 1.24 0.47 0.00 -0.87 0.00 0.00 58.31 58.92 1wyn n LYS 43 Cb 1.05 -1.84 0.76 0.00 0.02 0.00 0.00 35.03 35.03 1wyn n LYS 43 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 1wyn h ASP 44 N 0.00 0.08 -2.22 3.14 3.04 -1.73 -3.45 116.42 115.28 1wyn h ASP 44 Ca 0.08 0.05 -0.07 0.00 -3.24 0.00 0.00 57.03 53.85 1wyn h ASP 44 Cb 0.20 0.05 0.03 0.00 -1.04 0.00 0.00 39.33 38.56 1wyn h ASP 44 CO -0.45 -0.08 -0.13 0.61 -2.04 0.00 0.00 179.24 177.15 1wyn n GLY 45 N -1.77 0.52 0.09 7.15 0.00 0.36 -4.23 105.19 107.31 1wyn n GLY 45 Ca 0.41 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 1wyn n GLY 45 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wyn n THR 46 N -2.40 1.24 -0.10 2.61 -2.24 -1.26 -4.55 114.28 107.57 1wyn n THR 46 Ca -0.02 -0.74 -0.17 0.00 -2.27 0.00 0.00 64.05 60.85 1wyn n THR 46 Cb 0.52 -0.59 -0.07 0.00 -2.10 0.00 0.00 70.33 68.09 1wyn n THR 46 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1wyn n ILE 47 N -2.71 1.50 -0.43 2.28 5.41 -1.26 -4.23 119.36 119.92 1wyn n ILE 47 Ca -0.30 -0.04 0.35 0.00 1.00 0.00 0.00 62.75 63.75 1wyn n ILE 47 Cb 1.07 -2.15 0.56 0.00 -0.71 0.00 0.00 39.64 38.41 1wyn n ILE 47 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1wyn n LEU 48 N -4.42 0.10 0.27 1.39 4.77 -1.26 0.67 117.00 118.52 1wyn n LEU 48 Ca -0.29 0.96 -0.12 0.00 -0.03 0.00 0.00 56.01 56.53 1wyn n LEU 48 Cb 0.62 -0.47 -0.06 0.00 -2.33 0.00 0.00 43.42 41.18 1wyn n LEU 48 CO 0.13 -1.02 0.33 0.00 -1.33 0.00 0.00 177.39 175.50 1wyn h THR 50 N -1.17 0.64 -0.96 0.00 1.35 0.06 -1.83 112.91 111.01 1wyn h THR 50 Ca -0.08 -0.00 0.21 0.00 -0.55 0.00 0.00 66.41 66.00 1wyn h THR 50 Cb 0.59 0.63 -0.18 0.00 -1.73 0.00 0.00 68.15 67.46 1wyn h THR 50 CO 0.12 0.00 -0.16 0.25 -0.25 0.00 0.00 175.52 175.49 1wyn h LEU 51 N 0.00 -0.75 0.28 3.87 5.85 -1.32 0.96 115.31 124.20 1wyn h LEU 51 Ca 0.18 0.28 -0.01 0.00 0.84 0.00 0.00 57.88 59.16 1wyn h LEU 51 Cb 0.27 0.55 0.00 0.00 0.37 0.00 0.00 40.66 41.85 1wyn h LEU 51 CO -0.37 -0.32 -0.14 -0.03 -0.34 0.00 0.00 178.44 177.24 1wyn h MET 52 N 0.01 -0.37 -0.98 1.25 4.05 -1.34 -2.99 114.93 114.57 1wyn h MET 52 Ca 0.49 0.02 0.31 0.00 -0.28 0.00 0.00 59.70 60.25 1wyn h MET 52 Cb 0.84 0.08 -0.15 0.00 -0.80 0.00 0.00 31.60 31.57 1wyn h MET 52 CO -0.95 -0.10 0.46 -0.91 0.23 0.00 0.00 176.91 175.65 1wyn h ASN 53 N -0.61 0.32 -0.22 1.39 2.35 -0.39 1.35 115.58 119.77 1wyn h ASN 53 Ca -0.04 0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.89 1wyn h ASN 53 Cb 0.44 0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.00 1wyn h ASN 53 CO 0.06 -0.19 0.07 0.11 -1.65 0.00 0.00 177.43 175.83 1wyn h LYS 54 N 0.24 0.43 0.01 0.81 1.79 -1.04 -3.09 116.57 115.71 1wyn h LYS 54 Ca 0.70 -0.06 -0.05 0.00 -2.18 0.00 0.00 60.65 59.06 1wyn h LYS 54 Cb 1.61 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 32.18 1wyn h LYS 54 CO -0.66 0.40 -0.27 -0.07 -1.08 0.00 0.00 179.45 177.77 1wyn h LEU 55 N 0.42 0.03 -7.79 2.94 3.38 0.17 -3.45 115.31 111.01 1wyn h LEU 55 Ca 0.10 -0.92 -0.58 0.00 0.09 0.00 0.00 57.88 56.57 1wyn h LEU 55 Cb 0.17 -0.01 -0.37 0.00 0.09 0.00 0.00 40.66 40.54 1wyn h LEU 55 CO -0.00 1.11 -0.82 -1.58 0.09 0.00 0.00 178.44 177.24 1wyn s GLN 56 N -2.26 1.96 -1.16 1.13 0.74 0.82 -5.06 119.66 115.83 1wyn s GLN 56 Ca -0.20 -0.55 -0.23 0.00 0.05 0.00 0.00 55.36 54.43 1wyn s GLN 56 Cb -0.01 -2.05 -0.08 0.00 1.10 0.00 0.00 33.01 31.97 1wyn s GLN 56 CO 0.68 -0.31 1.93 -1.25 -0.55 0.00 0.00 175.29 175.80 1wyn s PRO 57 N 1.53 2.51 0.00 1.67 0.04 -1.22 -2.33 135.00 137.20 1wyn s PRO 57 Ca 0.03 -1.10 0.00 0.00 0.04 0.00 0.00 61.00 59.97 1wyn s PRO 57 Cb -0.14 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.17 1wyn s PRO 57 CO -0.09 -3.93 0.00 0.41 0.04 0.00 0.00 177.00 173.43 1wyn n GLY 58 N 5.89 0.59 0.33 0.56 0.00 -1.26 -5.03 105.19 106.27 1wyn n GLY 58 Ca 0.44 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.44 1wyn n GLY 58 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wyn n SER 59 N 0.00 -0.61 -4.06 1.61 3.41 -0.98 -4.02 113.62 108.97 1wyn n SER 59 Ca 0.00 1.46 -0.31 0.00 -0.26 0.00 0.00 58.87 59.77 1wyn n SER 59 Cb 0.00 -0.30 -0.16 0.00 -0.26 0.00 0.00 64.21 63.48 1wyn n SER 59 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1wyn s VAL 60 N -5.71 1.70 -0.02 -3.33 1.01 -1.26 -4.67 120.40 108.11 1wyn s VAL 60 Ca -0.11 -0.72 -0.25 0.00 0.00 0.00 0.00 61.98 60.89 1wyn s VAL 60 Cb 0.15 -1.57 -0.19 0.00 0.00 0.00 0.00 36.38 34.77 1wyn s VAL 60 CO 0.58 0.48 1.23 1.55 0.00 0.00 0.00 175.10 178.94 1wyn h PRO 61 N 7.89 -0.06 -4.08 2.72 0.13 -2.00 -3.48 132.00 133.12 1wyn h PRO 61 Ca -0.39 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.64 1wyn h PRO 61 Cb 1.15 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.14 1wyn h PRO 61 CO 0.55 0.40 -0.57 0.21 -0.23 0.00 0.00 178.00 178.36 1wyn s LYS 62 N -4.23 0.70 -0.02 0.86 2.20 -1.26 -5.13 119.74 112.86 1wyn s LYS 62 Ca -0.15 -1.12 0.07 0.00 -0.36 0.00 0.00 55.97 54.40 1wyn s LYS 62 Cb 0.02 0.26 -0.02 0.00 -1.51 0.00 0.00 37.83 36.58 1wyn s LYS 62 CO 0.64 -0.17 -0.23 0.42 -0.36 0.00 0.00 175.35 175.65 1wyn s ILE 63 N -3.90 1.84 -0.82 5.43 1.01 -1.26 -5.01 121.20 118.49 1wyn s ILE 63 Ca 0.06 -0.99 -0.19 0.00 0.00 0.00 0.00 60.65 59.53 1wyn s ILE 63 Cb 0.07 -1.53 0.12 0.00 0.01 0.00 0.00 42.46 41.13 1wyn s ILE 63 CO -0.10 0.52 1.00 0.20 0.00 0.00 0.00 174.94 176.55 1wyn s ASN 64 N -0.53 6.49 -0.23 3.58 0.01 -1.26 -4.90 114.94 118.10 1wyn s ASN 64 Ca 0.08 -1.82 -0.04 0.00 -0.71 0.00 0.00 52.86 50.38 1wyn s ASN 64 Cb -0.09 -2.37 -0.04 0.00 0.41 0.00 0.00 41.25 39.16 1wyn s ASN 64 CO -0.01 -1.09 2.90 0.54 -1.51 0.00 0.00 177.10 177.93 1wyn n ARG 65 N 6.48 2.04 -4.38 -0.60 1.74 -1.26 -4.66 116.66 116.02 1wyn n ARG 65 Ca 0.13 -1.54 -0.28 0.00 -0.77 0.00 0.00 57.85 55.39 1wyn n ARG 65 Cb 0.47 -1.91 -0.12 0.00 -1.02 0.00 0.00 32.46 29.88 1wyn n ARG 65 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1wyn s SER 66 N 1.07 3.56 -0.10 0.55 0.01 -1.26 -5.02 113.70 112.51 1wyn s SER 66 Ca 0.52 -0.75 -0.02 0.00 1.31 0.00 0.00 55.95 57.01 1wyn s SER 66 Cb 0.31 -0.34 -0.02 0.00 0.21 0.00 0.00 66.02 66.18 1wyn s SER 66 CO -0.09 0.15 2.46 0.80 0.41 0.00 0.00 173.24 176.96 1wyn n MET 67 N 0.52 1.51 -4.84 12.44 1.56 -1.26 -4.58 117.12 122.47 1wyn n MET 67 Ca -0.14 -0.74 -0.33 0.00 -0.27 0.00 0.00 57.70 56.22 1wyn n MET 67 Cb 0.54 -1.45 -0.13 0.00 2.15 0.00 0.00 33.22 34.33 1wyn n MET 67 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1wyn s GLN 68 N -0.25 2.58 0.01 2.12 -1.52 -1.26 -5.05 119.66 116.28 1wyn s GLN 68 Ca 0.27 -0.67 -0.04 0.00 -1.95 0.00 0.00 55.36 52.98 1wyn s GLN 68 Cb 0.16 -2.43 -0.02 0.00 -0.22 0.00 0.00 33.01 30.50 1wyn s GLN 68 CO -0.02 0.62 1.06 -0.91 -0.25 0.00 0.00 175.29 175.78 1wyn h ASN 69 N 5.37 -0.14 -0.96 5.90 4.21 -1.99 0.10 115.58 128.08 1wyn h ASN 69 Ca -0.46 0.01 0.24 0.00 1.21 0.00 0.00 56.30 57.30 1wyn h ASN 69 Cb 1.16 0.04 -0.18 0.00 -1.12 0.00 0.00 38.32 38.22 1wyn h ASN 69 CO 0.51 -0.07 -0.06 -2.67 -1.29 0.00 0.00 177.43 173.84 1wyn n TRP 70 N -2.55 0.52 0.20 1.19 2.14 -1.26 0.03 117.44 117.71 1wyn n TRP 70 Ca -0.01 1.16 -0.15 0.00 2.07 0.00 0.00 57.50 60.57 1wyn n TRP 70 Cb 0.05 -1.17 -0.08 0.00 -0.81 0.00 0.00 31.31 29.30 1wyn n TRP 70 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 1wyn h HIS 71 N 0.00 -0.42 -0.92 -2.67 3.86 -1.86 -0.88 115.15 112.26 1wyn h HIS 71 Ca 0.54 -0.01 0.15 0.00 -1.16 0.00 0.00 60.37 59.89 1wyn h HIS 71 Cb 1.04 0.14 -0.08 0.00 1.06 0.00 0.00 27.41 29.57 1wyn h HIS 71 CO -0.57 -0.22 0.59 1.96 0.86 0.00 0.00 177.93 180.55 1wyn h GLN 72 N -0.51 0.72 0.28 2.45 4.20 0.22 -2.25 115.11 120.23 1wyn h GLN 72 Ca -0.05 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1wyn h GLN 72 Cb 0.39 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1wyn h GLN 72 CO 0.08 0.48 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.51 1wyn h LEU 73 N 0.74 -0.32 -1.15 1.46 -0.00 -0.48 -3.07 115.31 112.50 1wyn h LEU 73 Ca 0.47 -0.19 0.33 0.00 -0.00 0.00 0.00 57.88 58.49 1wyn h LEU 73 Cb 0.71 0.08 -0.13 0.00 -0.00 0.00 0.00 40.66 41.32 1wyn h LEU 73 CO -0.23 0.05 0.64 -0.08 -0.00 0.00 0.00 178.44 178.82 1wyn h GLU 74 N -0.73 0.29 -0.05 1.13 4.57 -0.59 0.11 114.58 119.31 1wyn h GLU 74 Ca -0.04 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.16 1wyn h GLU 74 Cb 0.49 -0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.97 1wyn h GLU 74 CO 0.06 0.19 -0.24 -0.91 -1.18 0.00 0.00 179.01 176.93 1wyn h ASN 75 N 0.30 -0.72 -0.11 1.04 2.35 -1.36 -0.56 115.58 116.51 1wyn h ASN 75 Ca 0.73 0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 56.58 1wyn h ASN 75 Cb 1.81 0.31 -0.00 0.00 0.05 0.00 0.00 38.32 40.48 1wyn h ASN 75 CO -0.51 -0.30 0.04 -0.07 -1.65 0.00 0.00 177.43 174.94 1wyn h LEU 76 N -0.35 0.15 -0.85 1.61 3.38 -0.88 -0.84 115.31 117.54 1wyn h LEU 76 Ca 0.08 -0.16 0.18 0.00 0.09 0.00 0.00 57.88 58.07 1wyn h LEU 76 Cb 0.46 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.06 1wyn h LEU 76 CO -0.25 0.27 0.37 0.28 0.09 0.00 0.00 178.44 179.20 1wyn h SER 77 N 0.02 0.34 0.13 -0.43 0.02 -1.00 0.21 113.55 112.85 1wyn h SER 77 Ca 0.04 0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1wyn h SER 77 Cb 0.16 0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1wyn h SER 77 CO -0.00 0.07 -0.06 0.78 -1.14 0.00 0.00 176.83 176.47 1wyn h ASN 78 N 0.45 -0.15 -1.00 3.07 2.35 -0.89 -2.72 115.58 116.69 1wyn h ASN 78 Ca 0.50 -0.39 0.18 0.00 -0.55 0.00 0.00 56.30 56.05 1wyn h ASN 78 Cb 0.86 0.04 -0.10 0.00 0.05 0.00 0.00 38.32 39.17 1wyn h ASN 78 CO -0.47 0.37 0.62 0.15 -1.65 0.00 0.00 177.43 176.44 1wyn h PHE 79 N -0.73 1.04 0.75 1.19 3.57 -0.42 -1.69 116.94 120.64 1wyn h PHE 79 Ca -0.02 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 1wyn h PHE 79 Cb 0.53 -0.32 0.01 0.00 2.79 0.00 0.00 35.95 38.96 1wyn h PHE 79 CO 0.08 0.26 -0.36 0.82 -2.23 0.00 0.00 178.31 176.89 1wyn h ILE 80 N 0.77 0.00 -1.19 1.41 2.04 -0.62 -2.81 117.51 117.11 1wyn h ILE 80 Ca 0.56 -0.14 0.35 0.00 1.00 0.00 0.00 64.86 66.62 1wyn h ILE 80 Cb 0.87 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 1wyn h ILE 80 CO -0.35 0.00 0.87 0.11 0.00 0.00 0.00 178.15 178.78 1wyn h LYS 81 N -1.15 0.00 -0.16 2.37 1.79 -1.12 0.18 116.57 118.49 1wyn h LYS 81 Ca -0.10 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.36 1wyn h LYS 81 Cb 0.77 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.41 1wyn h LYS 81 CO 0.17 0.00 0.07 0.00 -1.08 0.00 0.00 179.45 178.60 1wyn h ALA 82 N 1.38 0.21 -0.33 3.86 0.00 -1.06 -3.04 119.26 120.28 1wyn h ALA 82 Ca 0.57 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.45 1wyn h ALA 82 Cb 2.30 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.95 1wyn h ALA 82 CO -0.01 -0.21 -0.17 0.52 0.00 0.00 0.00 179.25 179.38 1wyn h MET 83 N 0.11 -0.12 -0.90 0.00 2.86 -0.50 0.62 114.93 117.00 1wyn h MET 83 Ca 0.05 0.01 0.21 0.00 -2.06 0.00 0.00 59.70 57.91 1wyn h MET 83 Cb 0.16 0.03 -0.12 0.00 0.06 0.00 0.00 31.60 31.73 1wyn h MET 83 CO -0.00 -0.08 0.43 0.28 1.06 0.00 0.00 176.91 178.60 1wyn h VAL 84 N -0.12 0.54 -0.22 -2.22 2.07 -1.48 0.23 116.25 115.05 1wyn h VAL 84 Ca 0.17 -0.16 -0.17 0.00 0.82 0.00 0.00 66.70 67.36 1wyn h VAL 84 Cb 0.38 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1wyn h VAL 84 CO -0.40 0.09 -0.51 -1.28 0.02 0.00 0.00 177.57 175.49 1wyn h SER 85 N 0.48 0.83 -0.98 0.57 0.87 -1.06 -3.17 113.55 111.09 1wyn h SER 85 Ca 0.55 -0.56 0.13 0.00 -1.23 0.00 0.00 61.79 60.68 1wyn h SER 85 Cb 1.00 -0.24 -0.08 0.00 -0.44 0.00 0.00 62.40 62.64 1wyn h SER 85 CO -0.48 1.24 0.62 0.22 -0.53 0.00 0.00 176.83 177.89 1wyn h TYR 86 N 0.46 1.07 0.00 2.24 3.20 0.11 -3.45 116.97 120.60 1wyn h TYR 86 Ca -0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1wyn h TYR 86 Cb 1.12 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.05 1wyn h TYR 86 CO 0.08 0.42 0.00 0.41 -1.64 0.00 0.00 178.16 177.43 1wyn n GLY 87 N -1.37 0.95 3.98 1.82 0.00 -0.58 -5.10 105.19 104.90 1wyn n GLY 87 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1wyn n GLY 87 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wyn s MET 88 N 0.00 1.98 0.31 1.61 -1.94 -1.02 -5.04 119.30 115.20 1wyn s MET 88 Ca 0.00 -0.96 0.00 0.00 -1.71 0.00 0.00 55.69 53.02 1wyn s MET 88 Cb 0.00 -2.37 -0.04 0.00 2.01 0.00 0.00 34.83 34.43 1wyn s MET 88 CO 0.00 -1.21 0.51 -0.80 -0.01 0.00 0.00 175.02 173.51 1wyn s ASN 89 N -4.63 6.33 0.00 3.03 -0.87 -1.26 -4.80 114.94 112.74 1wyn s ASN 89 Ca 0.63 0.44 0.14 0.00 -1.57 0.00 0.00 52.86 52.51 1wyn s ASN 89 Cb -0.07 -2.03 0.70 0.00 -0.02 0.00 0.00 41.25 39.83 1wyn s ASN 89 CO 0.42 -0.22 1.41 -0.81 -2.57 0.00 0.00 177.10 175.34 1wyn n PRO 90 N -1.46 0.15 0.00 -0.60 -0.04 -1.26 -1.94 135.00 129.85 1wyn n PRO 90 Ca -0.05 0.18 0.06 0.00 -0.04 0.00 0.00 63.50 63.66 1wyn n PRO 90 Cb 0.56 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.50 1wyn n PRO 90 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1wyn n VAL 91 N -1.35 0.00 -0.59 0.52 0.24 -1.26 -4.37 118.33 111.52 1wyn n VAL 91 Ca 0.06 -0.33 0.10 0.00 -2.04 0.00 0.00 64.34 62.12 1wyn n VAL 91 Cb 0.13 1.12 0.34 0.00 -1.47 0.00 0.00 33.84 33.96 1wyn n VAL 91 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1wyn n ASP 92 N -0.43 4.57 -4.90 -1.34 8.00 -0.82 -4.96 116.55 116.67 1wyn n ASP 92 Ca 0.05 -2.40 -0.20 0.00 0.71 0.00 0.00 54.79 52.95 1wyn n ASP 92 Cb 0.26 -0.55 -0.02 0.00 -0.02 0.00 0.00 41.12 40.78 1wyn n ASP 92 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1wyn s LEU 93 N -1.75 3.55 -0.01 0.64 1.43 -1.24 -3.84 118.68 117.47 1wyn s LEU 93 Ca 0.49 -0.56 -0.07 0.00 -1.03 0.00 0.00 54.13 52.96 1wyn s LEU 93 Cb 0.31 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 44.27 1wyn s LEU 93 CO 0.25 -0.55 0.13 0.72 0.23 0.00 0.00 176.35 177.13 1wyn s PHE 94 N -2.37 0.02 0.65 0.29 -0.71 -1.26 -4.80 117.98 109.79 1wyn s PHE 94 Ca 0.47 -0.06 -0.11 0.00 -1.04 0.00 0.00 56.93 56.18 1wyn s PHE 94 Cb -0.06 -0.04 -0.02 0.00 -1.21 0.00 0.00 43.02 41.69 1wyn s PHE 94 CO 0.28 -0.25 1.05 -1.21 -1.34 0.00 0.00 175.22 173.76 1wyn s GLU 95 N -1.14 3.34 0.35 1.99 0.41 -1.26 -4.89 118.70 117.51 1wyn s GLU 95 Ca -0.12 0.64 0.06 0.00 -0.41 0.00 0.00 54.97 55.14 1wyn s GLU 95 Cb -0.07 -2.06 0.67 0.00 -1.78 0.00 0.00 34.13 30.89 1wyn s GLU 95 CO 0.01 -0.73 1.90 0.00 -0.49 0.00 0.00 175.26 175.95 1wyn h ALA 96 N -0.43 1.43 -0.19 5.21 0.00 -1.92 -2.90 119.26 120.45 1wyn h ALA 96 Ca -0.44 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.21 1wyn h ALA 96 Cb 1.21 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1wyn h ALA 96 CO 0.63 0.40 -0.13 -0.91 0.00 0.00 0.00 179.25 179.23 1wyn h ASN 97 N 0.43 0.45 -0.88 0.00 2.35 -1.96 -0.50 115.58 115.46 1wyn h ASN 97 Ca 0.09 -0.44 0.33 0.00 -0.55 0.00 0.00 56.30 55.73 1wyn h ASN 97 Cb 0.32 -0.13 -0.16 0.00 0.05 0.00 0.00 38.32 38.41 1wyn h ASN 97 CO 0.01 0.80 0.34 0.47 -1.65 0.00 0.00 177.43 177.40 1wyn n ASP 98 N -4.53 0.18 -0.11 5.81 8.00 -1.10 -0.04 116.55 124.77 1wyn n ASP 98 Ca -0.05 1.48 -0.22 0.00 0.71 0.00 0.00 54.79 56.70 1wyn n ASP 98 Cb 0.35 -0.67 -0.10 0.00 -0.02 0.00 0.00 41.12 40.69 1wyn n ASP 98 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1wyn n LEU 99 N -5.09 1.88 -0.00 0.64 7.94 -1.19 -0.30 117.00 120.88 1wyn n LEU 99 Ca 0.30 0.41 -0.06 0.00 -1.11 0.00 0.00 56.01 55.55 1wyn n LEU 99 Cb 1.00 -0.92 -0.04 0.00 0.53 0.00 0.00 43.42 43.99 1wyn n LEU 99 CO -0.01 0.29 0.50 0.15 -1.11 0.00 0.00 177.39 177.20 1wyn h PHE 100 N -1.00 -0.69 -0.81 1.96 3.57 0.18 -1.98 116.94 118.17 1wyn h PHE 100 Ca -0.41 0.03 -0.47 0.00 3.53 0.00 0.00 57.97 60.65 1wyn h PHE 100 Cb 1.32 0.31 -0.24 0.00 2.79 0.00 0.00 35.95 40.13 1wyn h PHE 100 CO 0.02 -0.23 0.60 0.39 -2.23 0.00 0.00 178.31 176.85 1wyn n GLU 101 N -3.79 2.15 -1.74 1.11 1.02 0.94 -4.85 120.64 115.47 1wyn n GLU 101 Ca -0.03 -2.51 -0.00 0.00 -0.02 0.00 0.00 57.16 54.60 1wyn n GLU 101 Cb 0.16 -1.99 -0.00 0.00 -0.02 0.00 0.00 31.44 29.60 1wyn n GLU 101 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1wyn n SER 102 N -0.68 -0.49 0.12 1.62 3.41 -0.75 -4.66 113.62 112.18 1wyn n SER 102 Ca 0.49 0.25 0.07 0.00 -0.26 0.00 0.00 58.87 59.42 1wyn n SER 102 Cb 1.13 -0.75 0.35 0.00 -0.26 0.00 0.00 64.21 64.68 1wyn n SER 102 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wyn n GLY 103 N -0.25 -0.67 3.18 5.00 0.00 -0.10 -4.39 105.19 107.97 1wyn n GLY 103 Ca -0.00 0.12 0.05 0.00 0.00 0.00 0.00 46.02 46.19 1wyn n GLY 103 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wyn s ASN 104 N -3.51 -0.30 0.00 1.61 3.84 0.59 -4.79 114.94 112.38 1wyn s ASN 104 Ca -0.01 0.25 0.19 0.00 0.21 0.00 0.00 52.86 53.49 1wyn s ASN 104 Cb 0.04 1.27 -0.10 0.00 -0.55 0.00 0.00 41.25 41.91 1wyn s ASN 104 CO 0.12 -0.06 0.88 0.23 -2.79 0.00 0.00 177.10 175.48 1wyn n MET 105 N 5.25 1.21 0.04 0.43 2.81 -1.26 -4.08 117.12 121.52 1wyn n MET 105 Ca -0.08 -0.46 -0.19 0.00 -1.81 0.00 0.00 57.70 55.16 1wyn n MET 105 Cb 0.54 -1.37 -0.14 0.00 -0.71 0.00 0.00 33.22 31.54 1wyn n MET 105 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1wyn h THR 106 N 1.09 0.90 -0.27 2.03 1.35 -1.94 -3.17 112.91 112.89 1wyn h THR 106 Ca 0.00 -2.57 -0.17 0.00 -0.55 0.00 0.00 66.41 63.11 1wyn h THR 106 Cb 0.55 2.64 -0.00 0.00 -1.73 0.00 0.00 68.15 69.61 1wyn h THR 106 CO 0.00 0.81 -0.53 -0.61 -0.25 0.00 0.00 175.52 174.95 1wyn h GLN 107 N 0.07 0.79 -0.07 4.72 5.75 -1.82 -2.80 115.11 121.75 1wyn h GLN 107 Ca -0.33 -0.49 -0.10 0.00 -0.15 0.00 0.00 58.65 57.58 1wyn h GLN 107 Cb 2.04 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 30.63 1wyn h GLN 107 CO 0.13 1.11 -0.43 0.28 -2.65 0.00 0.00 178.83 177.28 1wyn h VAL 108 N 0.61 1.31 0.34 2.39 2.07 -1.72 -2.48 116.25 118.76 1wyn h VAL 108 Ca 0.02 -1.53 -0.02 0.00 0.82 0.00 0.00 66.70 65.99 1wyn h VAL 108 Cb 1.11 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1wyn h VAL 108 CO 0.11 0.45 -0.16 -0.61 0.02 0.00 0.00 177.57 177.38 1wyn h GLN 109 N 0.13 -0.44 -0.97 1.57 4.15 -1.50 -3.17 115.11 114.89 1wyn h GLN 109 Ca 0.01 0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.53 1wyn h GLN 109 Cb 0.81 0.10 -0.07 0.00 0.21 0.00 0.00 27.48 28.53 1wyn h GLN 109 CO 0.06 -0.12 0.62 -0.39 -1.93 0.00 0.00 178.83 177.07 1wyn h VAL 110 N -0.80 1.06 -0.88 2.39 -1.51 -1.51 -1.78 116.25 113.22 1wyn h VAL 110 Ca -0.05 -0.38 0.20 0.00 -1.23 0.00 0.00 66.70 65.25 1wyn h VAL 110 Cb 0.52 -0.15 -0.12 0.00 -2.13 0.00 0.00 31.29 29.41 1wyn h VAL 110 CO 0.08 0.20 0.38 -1.28 -1.23 0.00 0.00 177.57 175.72 1wyn h SER 111 N 1.11 0.33 0.00 4.19 0.87 -1.43 0.32 113.55 118.94 1wyn h SER 111 Ca 0.42 0.14 -0.11 0.00 -1.23 0.00 0.00 61.79 61.02 1wyn h SER 111 Cb 0.19 0.12 0.01 0.00 -0.44 0.00 0.00 62.40 62.28 1wyn h SER 111 CO -0.18 0.03 -0.43 -0.07 -0.53 0.00 0.00 176.83 175.64 1wyn h LEU 112 N 0.42 0.38 -2.48 2.23 3.38 -1.33 -0.96 115.31 116.96 1wyn h LEU 112 Ca 0.53 -0.77 0.01 0.00 0.09 0.00 0.00 57.88 57.74 1wyn h LEU 112 Cb 0.97 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1wyn h LEU 112 CO -0.50 1.10 0.07 -0.07 0.09 0.00 0.00 178.44 179.13 1wyn h LEU 113 N -0.31 0.00 0.10 1.67 3.38 -0.50 0.18 115.31 119.83 1wyn h LEU 113 Ca -0.05 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.57 1wyn h LEU 113 Cb 1.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1wyn h LEU 113 CO 0.09 0.00 -1.93 0.00 0.09 0.00 0.00 178.44 176.68 1wyn n ALA 114 N -2.26 0.91 0.09 1.53 0.00 0.10 -3.42 120.51 117.45 1wyn n ALA 114 Ca -0.02 -0.62 -0.00 0.00 0.00 0.00 0.00 53.44 52.80 1wyn n ALA 114 Cb 0.16 -0.61 0.29 0.00 0.00 0.00 0.00 19.45 19.29 1wyn n ALA 114 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wyn h LEU 115 N -0.12 0.27 -0.10 0.00 5.85 -0.59 -2.99 115.31 117.63 1wyn h LEU 115 Ca -0.43 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.14 1wyn h LEU 115 Cb 1.90 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.86 1wyn h LEU 115 CO 0.02 0.54 -0.21 0.00 -0.34 0.00 0.00 178.44 178.46 1wyn h ALA 116 N 1.48 0.16 -0.66 1.25 0.00 -0.83 -1.94 119.26 118.72 1wyn h ALA 116 Ca 0.04 -0.37 0.11 0.00 0.00 0.00 0.00 54.91 54.69 1wyn h ALA 116 Cb 0.61 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.29 1wyn h ALA 116 CO 0.04 0.11 0.23 0.78 0.00 0.00 0.00 179.25 180.41 1wyn h GLY 117 N -0.14 0.93 1.11 0.00 0.00 -1.56 0.87 103.07 104.29 1wyn h GLY 117 Ca 0.00 -0.11 -0.18 0.00 0.00 0.00 0.00 47.33 47.04 1wyn h GLY 117 CO 0.05 -0.07 -0.56 1.70 0.00 0.00 0.00 176.54 177.66 1wyn h LYS 118 N 0.39 0.82 -0.83 4.80 3.64 -1.57 -3.17 116.57 120.65 1wyn h LYS 118 Ca 0.35 -0.55 0.01 0.00 -1.27 0.00 0.00 60.65 59.19 1wyn h LYS 118 Cb 0.48 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.34 1wyn h LYS 118 CO -0.36 1.18 0.55 0.00 -2.27 0.00 0.00 179.45 178.54 1wyn h ALA 119 N 0.64 1.42 -0.99 5.00 0.00 -0.51 -2.37 119.26 122.45 1wyn h ALA 119 Ca 0.00 -0.05 0.32 0.00 0.00 0.00 0.00 54.91 55.17 1wyn h ALA 119 Cb 1.17 -0.33 -0.15 0.00 0.00 0.00 0.00 17.79 18.48 1wyn h ALA 119 CO 0.12 0.52 0.55 0.87 0.00 0.00 0.00 179.25 181.31 1wyn h LYS 120 N 1.11 0.31 -1.18 0.00 1.57 -0.82 0.49 116.57 118.05 1wyn h LYS 120 Ca 0.31 -0.02 0.38 0.00 -1.87 0.00 0.00 60.65 59.46 1wyn h LYS 120 Cb -0.09 -0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.06 1wyn h LYS 120 CO -0.07 0.21 0.80 -2.37 -0.57 0.00 0.00 179.45 177.44 1wyn n THR 121 N -5.06 -0.13 0.16 -0.16 5.66 -0.89 0.15 114.28 114.01 1wyn n THR 121 Ca 0.31 1.28 -0.14 0.00 -3.05 0.00 0.00 64.05 62.45 1wyn n THR 121 Cb 0.96 -2.10 -0.08 0.00 -1.55 0.00 0.00 70.33 67.55 1wyn n THR 121 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1wyn h LYS 122 N 0.00 -0.37 -2.03 1.09 6.56 -1.12 -3.38 116.57 117.32 1wyn h LYS 122 Ca 0.68 0.03 -0.56 0.00 -1.06 0.00 0.00 60.65 59.73 1wyn h LYS 122 Cb 2.37 0.08 -0.39 0.00 -0.57 0.00 0.00 32.23 33.71 1wyn h LYS 122 CO -0.24 -0.13 -1.04 0.41 -2.06 0.00 0.00 179.45 176.39 1wyn n GLY 123 N -0.76 3.20 3.86 3.86 0.00 0.40 -5.11 105.19 110.63 1wyn n GLY 123 Ca -0.10 -1.75 -0.34 0.00 0.00 0.00 0.00 46.02 43.83 1wyn n GLY 123 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1wyn s LEU 124 N -1.46 4.30 0.00 0.99 0.05 -0.30 -4.94 118.68 117.32 1wyn s LEU 124 Ca 0.36 0.95 -0.31 0.00 0.05 0.00 0.00 54.13 55.18 1wyn s LEU 124 Cb 0.18 -3.29 -0.16 0.00 -2.05 0.00 0.00 46.19 40.88 1wyn s LEU 124 CO -0.10 0.08 0.84 1.67 -0.55 0.00 0.00 176.35 178.29 1wyn n GLN 125 N 0.60 0.00 -1.54 1.48 7.27 -1.26 -4.62 117.38 119.30 1wyn n GLN 125 Ca -0.05 0.00 -0.60 0.00 0.07 0.00 0.00 57.00 56.43 1wyn n GLN 125 Cb 0.52 -1.18 -0.08 0.00 2.41 0.00 0.00 30.24 31.91 1wyn n GLN 125 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1wyn n SER 126 N 1.19 0.28 -4.92 1.69 3.41 -1.26 -4.92 113.62 109.08 1wyn n SER 126 Ca 0.16 1.16 -0.26 0.00 -0.26 0.00 0.00 58.87 59.67 1wyn n SER 126 Cb 0.07 -0.93 -0.01 0.00 -0.26 0.00 0.00 64.21 63.07 1wyn n SER 126 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wyn s GLY 127 N 0.48 1.52 -0.47 5.00 0.00 -1.26 -5.00 107.32 107.59 1wyn s GLY 127 Ca 0.93 -0.71 0.04 0.00 0.00 0.00 0.00 44.72 44.98 1wyn s GLY 127 CO 0.60 -0.61 1.88 1.55 0.00 0.00 0.00 173.10 176.52 1wyn n VAL 128 N -1.69 3.20 -4.48 1.40 3.14 -1.26 -4.95 118.33 113.69 1wyn n VAL 128 Ca -0.03 -2.21 -0.23 0.00 -2.96 0.00 0.00 64.34 58.92 1wyn n VAL 128 Cb 0.55 -0.57 -0.10 0.00 -1.06 0.00 0.00 33.84 32.65 1wyn n VAL 128 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1wyn s ASP 129 N -1.55 3.06 -0.07 6.55 1.11 -1.26 -5.07 116.67 119.44 1wyn s ASP 129 Ca 0.57 -1.23 -0.26 0.00 0.18 0.00 0.00 52.55 51.80 1wyn s ASP 129 Cb 0.48 -0.23 -0.23 0.00 1.07 0.00 0.00 42.92 44.01 1wyn s ASP 129 CO 0.08 -0.35 1.03 0.40 1.18 0.00 0.00 175.17 177.51 1wyn h ILE 130 N 2.15 1.57 -3.06 0.77 5.03 -2.06 -3.50 117.51 118.41 1wyn h ILE 130 Ca -0.41 -1.78 0.00 0.00 -0.12 0.00 0.00 64.86 62.55 1wyn h ILE 130 Cb 1.24 2.75 -0.00 0.00 -3.03 0.00 0.00 36.82 37.77 1wyn h ILE 130 CO 0.70 0.47 -0.04 0.61 -0.68 0.00 0.00 178.15 179.21 1wyn n GLY 131 N 0.92 -2.94 2.53 5.37 0.00 -1.26 -4.92 105.19 104.89 1wyn n GLY 131 Ca -0.09 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.25 1wyn n GLY 131 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wyn n VAL 132 N 0.03 5.21 -3.83 1.61 0.31 -1.26 -4.90 118.33 115.50 1wyn n VAL 132 Ca -0.01 -4.56 -0.12 0.00 -0.01 0.00 0.00 64.34 59.64 1wyn n VAL 132 Cb 0.01 -1.89 -0.11 0.00 -0.91 0.00 0.00 33.84 30.94 1wyn n VAL 132 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1wyn s LYS 133 N -1.99 0.36 0.32 5.55 2.47 -1.26 -5.14 119.74 120.05 1wyn s LYS 133 Ca 0.51 -0.05 -0.29 0.00 -1.56 0.00 0.00 55.97 54.58 1wyn s LYS 133 Cb 0.21 0.16 -0.11 0.00 -1.46 0.00 0.00 37.83 36.63 1wyn s LYS 133 CO -0.12 -0.07 1.51 0.71 0.16 0.00 0.00 175.35 177.53 1wyn s TYR 134 N -0.61 2.76 -1.05 4.03 2.02 -1.26 -4.92 117.35 118.31 1wyn s TYR 134 Ca -0.07 1.01 -0.17 0.00 -0.37 0.00 0.00 57.07 57.47 1wyn s TYR 134 Cb -0.04 -3.98 0.15 0.00 -0.40 0.00 0.00 41.96 37.68 1wyn s TYR 134 CO 0.01 -3.10 1.26 -1.12 -1.57 0.00 0.00 175.55 171.04 1wyn s SER 135 N 0.16 6.81 0.57 2.29 0.01 -1.26 -5.01 113.70 117.27 1wyn s SER 135 Ca 0.58 -2.44 -0.20 0.00 1.31 0.00 0.00 55.95 55.20 1wyn s SER 135 Cb -0.46 -2.40 -0.05 0.00 0.21 0.00 0.00 66.02 63.31 1wyn s SER 135 CO 0.53 -0.94 1.07 1.21 0.41 0.00 0.00 173.24 175.52 1wyn n GLU 136 N 6.22 1.14 -4.61 12.44 2.13 -1.26 -5.02 120.64 131.69 1wyn n GLU 136 Ca 0.30 0.43 -0.24 0.00 0.66 0.00 0.00 57.16 58.30 1wyn n GLU 136 Cb 0.46 -2.26 -0.16 0.00 0.27 0.00 0.00 31.44 29.76 1wyn n GLU 136 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1wyn s LYS 137 N -2.72 1.58 -0.01 5.31 -2.85 -1.26 -5.13 119.74 114.66 1wyn s LYS 137 Ca 0.74 -0.44 -0.28 0.00 -1.00 0.00 0.00 55.97 54.99 1wyn s LYS 137 Cb -0.43 -1.34 0.07 0.00 -2.06 0.00 0.00 37.83 34.06 1wyn s LYS 137 CO 0.48 0.09 0.64 -1.14 0.10 0.00 0.00 175.35 175.52 1wyn s GLN 138 N 0.43 1.07 -0.68 1.78 0.74 -1.26 -4.96 119.66 116.77 1wyn s GLN 138 Ca -0.10 0.09 -0.03 0.00 0.05 0.00 0.00 55.36 55.37 1wyn s GLN 138 Cb -0.13 0.50 0.00 0.00 1.10 0.00 0.00 33.01 34.48 1wyn s GLN 138 CO 0.03 -0.36 0.59 -1.91 -0.55 0.00 0.00 175.29 173.09 1wyn n GLU 139 N 0.71 -3.95 -1.58 1.67 2.13 -1.26 -4.95 120.64 113.41 1wyn n GLU 139 Ca -0.19 0.43 -0.43 0.00 0.66 0.00 0.00 57.16 57.63 1wyn n GLU 139 Cb 0.58 -4.25 -0.00 0.00 0.27 0.00 0.00 31.44 28.04 1wyn n GLU 139 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1wyn n ARG 140 N -2.78 1.28 -3.52 5.31 0.63 -1.26 -4.97 116.66 111.36 1wyn n ARG 140 Ca -0.04 0.45 -0.30 0.00 -0.92 0.00 0.00 57.85 57.04 1wyn n ARG 140 Cb 0.55 -1.88 -0.04 0.00 0.45 0.00 0.00 32.46 31.53 1wyn n ARG 140 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1wyn s SER 141 N -0.66 6.50 -0.27 6.15 1.04 -1.26 -5.10 113.70 120.10 1wyn s SER 141 Ca 0.61 0.69 -0.25 0.00 0.48 0.00 0.00 55.95 57.48 1wyn s SER 141 Cb -0.64 -2.13 0.10 0.00 0.10 0.00 0.00 66.02 63.45 1wyn s SER 141 CO 0.59 -0.06 0.88 -0.83 0.98 0.00 0.00 173.24 174.80 1wyn s GLY 142 N -2.69 -0.34 -0.90 7.32 0.00 -1.26 -5.09 107.32 104.35 1wyn s GLY 142 Ca 0.43 2.34 -0.25 0.00 0.00 0.00 0.00 44.72 47.25 1wyn s GLY 142 CO 0.26 1.77 1.94 2.56 0.00 0.00 0.00 173.10 179.63 1wyn s PRO 143 N 0.27 2.56 -0.23 2.90 0.04 -1.26 -4.87 135.00 134.41 1wyn s PRO 143 Ca 0.01 -0.28 -0.03 0.00 0.04 0.00 0.00 61.00 60.74 1wyn s PRO 143 Cb -0.05 -5.06 0.12 0.00 0.04 0.00 0.00 34.50 29.56 1wyn s PRO 143 CO -0.02 -3.36 0.35 -1.12 0.04 0.00 0.00 177.00 172.88 1wyn s SER 144 N 8.02 0.37 0.57 6.66 0.01 -1.26 -5.16 113.70 122.90 1wyn s SER 144 Ca 0.70 0.25 0.08 0.00 1.31 0.00 0.00 55.95 58.29 1wyn s SER 144 Cb -0.07 1.01 0.07 0.00 0.21 0.00 0.00 66.02 67.24 1wyn s SER 144 CO -0.01 -0.29 0.67 -0.94 0.41 0.00 0.00 173.24 173.08 1wyn s SER 145 N 2.51 4.95 0.00 2.44 1.04 -1.26 -5.28 113.70 118.11 1wyn s SER 145 Ca 0.10 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.56 1wyn s SER 145 Cb -0.15 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1wyn s SER 145 CO -0.15 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.41