#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wyn s SER 2 N 0.00 6.23 0.17 1.61 0.15 -1.26 -4.90 113.70 115.70 1wyn s SER 2 Ca 0.00 -0.48 -0.15 0.00 0.70 0.00 0.00 55.95 56.02 1wyn s SER 2 Cb 0.00 -2.51 0.13 0.00 -1.71 0.00 0.00 66.02 61.93 1wyn s SER 2 CO 0.00 -1.62 1.71 -1.28 1.20 0.00 0.00 173.24 173.24 1wyn h SER 3 N 9.77 -0.09 -4.78 5.45 0.87 -2.00 -3.46 113.55 119.30 1wyn h SER 3 Ca -0.28 0.09 0.12 0.00 -1.23 0.00 0.00 61.79 60.49 1wyn h SER 3 Cb 1.06 0.14 -0.14 0.00 -0.44 0.00 0.00 62.40 63.02 1wyn h SER 3 CO 1.22 -0.01 0.48 -0.83 -0.53 0.00 0.00 176.83 177.16 1wyn s GLY 4 N -2.95 -0.43 -0.27 5.77 0.00 -1.26 -4.37 107.32 103.81 1wyn s GLY 4 Ca -0.13 0.83 -0.11 0.00 0.00 0.00 0.00 44.72 45.31 1wyn s GLY 4 CO 0.72 0.27 0.61 -0.56 0.00 0.00 0.00 173.10 174.13 1wyn s SER 5 N -2.58 -0.91 0.20 1.64 0.01 -1.26 -5.01 113.70 105.79 1wyn s SER 5 Ca 0.06 1.42 -0.13 0.00 1.31 0.00 0.00 55.95 58.62 1wyn s SER 5 Cb -0.01 1.79 0.23 0.00 0.21 0.00 0.00 66.02 68.24 1wyn s SER 5 CO -0.07 -0.23 1.66 -1.28 0.41 0.00 0.00 173.24 173.73 1wyn h SER 6 N 7.68 -0.34 -0.47 2.44 0.87 -1.95 -3.46 113.55 118.32 1wyn h SER 6 Ca -0.22 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1wyn h SER 6 Cb 1.14 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 1wyn h SER 6 CO 0.13 -0.13 0.00 0.61 -0.53 0.00 0.00 176.83 176.92 1wyn n GLY 7 N -1.36 0.01 3.76 5.77 0.00 -1.26 -5.07 105.19 107.04 1wyn n GLY 7 Ca 0.07 -0.86 -0.36 0.00 0.00 0.00 0.00 46.02 44.86 1wyn n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wyn s ASN 8 N 0.00 6.44 -0.30 1.61 -0.87 -1.26 -4.99 114.94 115.57 1wyn s ASN 8 Ca 0.00 0.52 0.08 0.00 -1.57 0.00 0.00 52.86 51.89 1wyn s ASN 8 Cb 0.00 -2.16 0.46 0.00 -0.02 0.00 0.00 41.25 39.53 1wyn s ASN 8 CO 0.00 0.18 1.18 -2.11 -2.57 0.00 0.00 177.10 173.78 1wyn n ARG 9 N 3.13 3.48 -2.11 -0.60 1.85 -1.26 -5.02 116.66 116.13 1wyn n ARG 9 Ca -0.14 -4.15 -0.40 0.00 -1.00 0.00 0.00 57.85 52.16 1wyn n ARG 9 Cb 0.52 -2.23 -0.03 0.00 -1.05 0.00 0.00 32.46 29.67 1wyn n ARG 9 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1wyn s LEU 10 N -3.61 3.37 0.39 2.89 1.43 -1.26 -4.95 118.68 116.94 1wyn s LEU 10 Ca 0.49 0.58 -0.27 0.00 -1.03 0.00 0.00 54.13 53.90 1wyn s LEU 10 Cb 0.40 -2.90 -0.11 0.00 0.03 0.00 0.00 46.19 43.62 1wyn s LEU 10 CO 0.02 -2.06 1.33 0.18 0.23 0.00 0.00 176.35 176.05 1wyn n LEU 11 N 11.43 4.08 -3.51 1.79 4.32 -1.26 -4.77 117.00 129.09 1wyn n LEU 11 Ca 0.19 1.17 -0.48 0.00 -0.02 0.00 0.00 56.01 56.87 1wyn n LEU 11 Cb 0.50 -1.53 -0.07 0.00 -1.62 0.00 0.00 43.42 40.71 1wyn n LEU 11 CO 0.70 -0.39 0.65 -0.24 -1.22 0.00 0.00 177.39 176.90 1wyn n SER 12 N 0.43 0.46 -3.78 -1.43 2.88 -1.26 -4.91 113.62 106.02 1wyn n SER 12 Ca 0.05 0.89 -0.06 0.00 -1.33 0.00 0.00 58.87 58.42 1wyn n SER 12 Cb 0.38 -0.68 -0.02 0.00 -0.75 0.00 0.00 64.21 63.14 1wyn n SER 12 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1wyn s LYS 13 N 1.15 1.61 0.04 -1.46 0.00 -1.26 -5.11 119.74 114.71 1wyn s LYS 13 Ca 0.74 -0.90 0.04 0.00 0.00 0.00 0.00 55.97 55.85 1wyn s LYS 13 Cb -1.05 0.54 -0.02 0.00 0.00 0.00 0.00 37.83 37.30 1wyn s LYS 13 CO 0.53 -0.74 -0.11 -0.47 0.00 0.00 0.00 175.35 174.56 1wyn s TYR 14 N -3.61 0.92 -0.20 1.78 6.14 -1.26 -4.49 117.35 116.62 1wyn s TYR 14 Ca 0.12 -0.41 -0.09 0.00 0.64 0.00 0.00 57.07 57.32 1wyn s TYR 14 Cb -0.04 -0.54 0.08 0.00 0.42 0.00 0.00 41.96 41.87 1wyn s TYR 14 CO 0.06 -0.01 0.47 0.34 0.64 0.00 0.00 175.55 177.05 1wyn s ASP 15 N -1.38 -0.54 0.00 4.32 -1.08 -1.26 -5.02 116.67 111.72 1wyn s ASP 15 Ca -0.04 1.07 0.15 0.00 -0.52 0.00 0.00 52.55 53.20 1wyn s ASP 15 Cb -0.09 1.17 0.69 0.00 -1.46 0.00 0.00 42.92 43.23 1wyn s ASP 15 CO 0.01 -0.21 1.44 -0.81 0.52 0.00 0.00 175.17 176.11 1wyn n PRO 16 N 4.74 0.11 -0.10 4.34 -0.04 -1.26 -2.38 135.00 140.41 1wyn n PRO 16 Ca -0.17 0.20 -0.13 0.00 -0.04 0.00 0.00 63.50 63.36 1wyn n PRO 16 Cb 0.53 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.39 0.79 -0.07 0.54 10.64 -1.26 -4.53 117.38 122.10 1wyn n GLN 17 Ca 0.05 0.07 -0.13 0.00 -1.83 0.00 0.00 57.00 55.16 1wyn n GLN 17 Cb 0.14 -1.47 -0.06 0.00 -0.86 0.00 0.00 30.24 28.00 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 0.52 -0.97 2.61 1.79 -1.93 -3.20 116.57 115.39 1wyn h LYS 18 Ca -0.51 -0.27 0.25 0.00 -2.18 0.00 0.00 60.65 57.95 1wyn h LYS 18 Cb 1.96 0.01 -0.18 0.00 -1.58 0.00 0.00 32.23 32.44 1wyn h LYS 18 CO -0.03 0.84 -0.00 1.49 -1.08 0.00 0.00 179.45 180.67 1wyn h GLU 19 N 0.20 0.02 -0.96 3.15 4.22 -1.70 1.05 114.58 120.56 1wyn h GLU 19 Ca 0.04 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.48 1wyn h GLU 19 Cb 0.74 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.94 1wyn h GLU 19 CO 0.05 0.01 0.60 0.00 -2.18 0.00 0.00 179.01 177.49 1wyn h ALA 20 N 1.96 1.26 -0.88 2.92 0.00 -1.79 -2.16 119.26 120.58 1wyn h ALA 20 Ca 0.57 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.46 1wyn h ALA 20 Cb 1.13 -0.39 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 1wyn h ALA 20 CO -0.91 0.65 0.57 0.93 0.00 0.00 0.00 179.25 180.49 1wyn h GLU 21 N 1.31 0.94 0.15 0.00 5.08 0.11 -0.68 114.58 121.49 1wyn h GLU 21 Ca 0.35 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1wyn h GLU 21 Cb -0.10 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 28.94 1wyn h GLU 21 CO -0.07 0.62 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.42 1wyn h LEU 22 N 0.97 -0.18 -1.37 1.33 3.38 -0.87 -0.92 115.31 117.65 1wyn h LEU 22 Ca 0.38 0.01 0.32 0.00 0.09 0.00 0.00 57.88 58.68 1wyn h LEU 22 Cb 0.23 0.05 -0.11 0.00 0.09 0.00 0.00 40.66 40.92 1wyn h LEU 22 CO -0.14 -0.10 0.72 0.08 0.09 0.00 0.00 178.44 179.09 1wyn h ARG 23 N -0.27 0.29 0.00 1.13 0.11 -1.46 1.15 114.38 115.33 1wyn h ARG 23 Ca -0.02 -0.02 -0.11 0.00 0.10 0.00 0.00 59.98 59.93 1wyn h ARG 23 Cb 0.16 -0.06 -0.02 0.00 1.11 0.00 0.00 29.97 31.16 1wyn h ARG 23 CO 0.03 0.19 -0.55 1.15 0.10 0.00 0.00 179.97 180.90 1wyn h THR 24 N 0.29 1.33 0.00 0.08 2.02 -1.09 0.29 112.91 115.83 1wyn h THR 24 Ca 0.67 -1.91 -0.09 0.00 0.77 0.00 0.00 66.41 65.85 1wyn h THR 24 Cb 1.83 2.05 -0.01 0.00 -1.74 0.00 0.00 68.15 70.28 1wyn h THR 24 CO -0.34 0.53 -1.03 -0.25 0.37 0.00 0.00 175.52 174.80 1wyn h TRP 25 N 0.00 0.00 0.01 3.16 7.01 0.25 -3.30 115.95 123.08 1wyn h TRP 25 Ca -0.01 0.00 -0.23 0.00 2.11 0.00 0.00 58.89 60.76 1wyn h TRP 25 Cb 1.00 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 28.03 1wyn h TRP 25 CO 0.00 0.31 -1.25 0.82 -2.79 0.00 0.00 178.44 175.53 1wyn h ILE 26 N 0.00 0.93 -0.81 2.65 2.04 0.05 -3.25 117.51 119.13 1wyn h ILE 26 Ca -0.07 -2.19 0.16 0.00 1.00 0.00 0.00 64.86 63.76 1wyn h ILE 26 Cb 1.30 2.27 -0.10 0.00 -0.74 0.00 0.00 36.82 39.55 1wyn h ILE 26 CO 0.03 0.35 0.34 -0.33 0.00 0.00 0.00 178.15 178.54 1wyn h GLU 27 N -0.95 0.45 -0.09 2.37 5.08 -0.61 0.84 114.58 121.66 1wyn h GLU 27 Ca -0.34 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 57.88 1wyn h GLU 27 Cb 1.33 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1wyn h GLU 27 CO -0.19 0.30 -0.45 0.78 -1.00 0.00 0.00 179.01 178.44 1wyn h GLY 28 N 0.46 0.24 0.74 -3.84 0.00 -1.74 1.57 103.07 100.50 1wyn h GLY 28 Ca 0.46 -0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.51 1wyn h GLY 28 CO -0.43 0.22 -0.36 1.41 0.00 0.00 0.00 176.54 177.38 1wyn h LEU 29 N 0.18 -0.84 0.00 3.11 3.38 -0.90 -3.31 115.31 116.92 1wyn h LEU 29 Ca 0.01 0.03 -0.23 0.00 0.09 0.00 0.00 57.88 57.78 1wyn h LEU 29 Cb 0.88 0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 1wyn h LEU 29 CO 0.07 -0.49 -1.21 0.71 0.09 0.00 0.00 178.44 177.61 1wyn h THR 30 N -1.23 1.46 0.00 0.22 1.35 -1.37 -3.48 112.91 109.86 1wyn h THR 30 Ca -0.10 -3.22 0.00 0.00 -0.55 0.00 0.00 66.41 62.54 1wyn h THR 30 Cb 0.76 2.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.91 1wyn h THR 30 CO 0.17 0.84 0.00 0.61 -0.25 0.00 0.00 175.52 176.88 1wyn n GLY 31 N 1.41 0.61 3.10 5.82 0.00 0.53 -5.06 105.19 111.60 1wyn n GLY 31 Ca -0.05 -0.31 -0.17 0.00 0.00 0.00 0.00 46.02 45.49 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 -4.16 0.99 4.77 -1.16 -4.97 117.00 112.47 1wyn n LEU 32 Ca 0.00 -1.83 -0.31 0.00 -0.03 0.00 0.00 56.01 53.84 1wyn n LEU 32 Cb 0.00 -0.43 -0.17 0.00 -2.33 0.00 0.00 43.42 40.49 1wyn n LEU 32 CO 0.00 -0.78 -0.54 -0.44 -1.33 0.00 0.00 177.39 174.30 1wyn s SER 33 N -4.05 2.85 -0.12 -1.43 0.01 -1.26 -4.64 113.70 105.05 1wyn s SER 33 Ca 0.51 -0.52 -0.21 0.00 1.31 0.00 0.00 55.95 57.03 1wyn s SER 33 Cb -0.03 -1.31 -0.19 0.00 0.21 0.00 0.00 66.02 64.70 1wyn s SER 33 CO 0.33 0.10 0.60 0.40 0.41 0.00 0.00 173.24 175.09 1wyn h ILE 34 N 5.81 1.27 0.00 1.44 2.04 -1.95 -3.49 117.51 122.63 1wyn h ILE 34 Ca -0.26 -1.89 0.00 0.00 1.00 0.00 0.00 64.86 63.72 1wyn h ILE 34 Cb 1.21 2.38 0.00 0.00 -0.74 0.00 0.00 36.82 39.67 1wyn h ILE 34 CO 0.50 0.42 0.00 0.61 0.00 0.00 0.00 178.15 179.68 1wyn n GLY 35 N 1.53 0.93 0.20 5.37 0.00 -1.26 -3.76 105.19 108.20 1wyn n GLY 35 Ca -0.07 -2.31 -0.05 0.00 0.00 0.00 0.00 46.02 43.59 1wyn n GLY 35 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wyn h PRO 36 N 0.00 0.39 -3.62 1.61 0.13 -2.03 -3.36 132.00 125.12 1wyn h PRO 36 Ca 0.00 -0.21 -0.79 0.00 -0.87 0.00 0.00 66.00 64.14 1wyn h PRO 36 Cb 0.00 0.01 -0.28 0.00 0.13 0.00 0.00 31.00 30.86 1wyn h PRO 36 CO 0.00 0.76 0.31 -0.51 -0.23 0.00 0.00 178.00 178.33 1wyn s ASP 37 N -6.87 7.06 0.08 1.44 1.01 -1.26 -4.94 116.67 113.19 1wyn s ASP 37 Ca -0.06 -3.36 -0.16 0.00 0.71 0.00 0.00 52.55 49.69 1wyn s ASP 37 Cb 0.13 -2.18 -0.04 0.00 1.01 0.00 0.00 42.92 41.84 1wyn s ASP 37 CO 0.80 -0.36 1.00 0.33 0.21 0.00 0.00 175.17 177.15 1wyn n PHE 38 N 3.02 -0.23 -0.31 4.23 7.35 -1.26 0.15 117.46 130.42 1wyn n PHE 38 Ca 0.21 0.65 0.14 0.00 -0.76 0.00 0.00 57.45 57.68 1wyn n PHE 38 Cb 0.41 -0.50 0.29 0.00 0.35 0.00 0.00 39.48 40.03 1wyn n PHE 38 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 1wyn h GLN 39 N 0.00 0.13 0.00 -4.13 -0.00 -1.95 -1.30 115.11 107.86 1wyn h GLN 39 Ca 0.08 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.72 1wyn h GLN 39 Cb 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 27.48 27.66 1wyn h GLN 39 CO -0.49 0.09 0.00 1.63 0.00 0.00 0.00 178.83 180.06 1wyn n LYS 40 N -5.31 0.00 -0.28 1.69 4.76 0.40 0.12 118.16 119.54 1wyn n LYS 40 Ca 0.22 0.48 0.25 0.00 -2.87 0.00 0.00 58.31 56.39 1wyn n LYS 40 Cb 0.71 -1.31 0.44 0.00 -1.84 0.00 0.00 35.03 33.04 1wyn n LYS 40 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wyn n GLY 41 N 0.02 -0.55 0.11 0.72 0.00 -0.06 0.23 105.19 105.66 1wyn n GLY 41 Ca 0.00 0.55 -0.14 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.03 0.99 3.38 -1.24 -3.40 115.31 115.21 1wyn h LEU 42 Ca 0.60 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1wyn h LEU 42 Cb 1.77 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.45 1wyn h LEU 42 CO -0.43 1.39 -0.02 1.17 0.09 0.00 0.00 178.44 180.64 1wyn n LYS 43 N -3.26 -0.01 -0.41 1.13 4.81 0.64 0.23 118.16 121.28 1wyn n LYS 43 Ca -0.23 0.73 0.34 0.00 -0.87 0.00 0.00 58.31 58.28 1wyn n LYS 43 Cb 1.05 -1.09 0.63 0.00 0.02 0.00 0.00 35.03 35.64 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 0.26 -1.29 3.14 3.04 -1.77 -3.42 116.42 116.38 1wyn h ASP 44 Ca 0.00 0.10 0.00 0.00 -3.24 0.00 0.00 57.03 53.89 1wyn h ASP 44 Cb 0.01 0.07 0.00 0.00 -1.04 0.00 0.00 39.33 38.38 1wyn h ASP 44 CO -0.03 -0.08 0.00 0.61 -2.04 0.00 0.00 179.24 177.71 1wyn n GLY 45 N -1.56 0.73 0.09 7.15 0.00 0.62 -4.44 105.19 107.79 1wyn n GLY 45 Ca 0.33 -0.53 -0.16 0.00 0.00 0.00 0.00 46.02 45.67 1wyn n GLY 45 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1wyn h THR 46 N 0.00 0.63 0.07 2.61 1.35 -1.78 -3.38 112.91 112.41 1wyn h THR 46 Ca 0.00 -1.79 -0.00 0.00 -0.55 0.00 0.00 66.41 64.06 1wyn h THR 46 Cb 0.89 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 1wyn h THR 46 CO 0.00 0.21 -0.03 0.40 -0.25 0.00 0.00 175.52 175.85 1wyn h ILE 47 N -1.00 1.05 -0.96 6.82 2.04 -1.90 -3.28 117.51 120.28 1wyn h ILE 47 Ca -0.23 -1.50 0.34 0.00 1.00 0.00 0.00 64.86 64.47 1wyn h ILE 47 Cb 1.03 1.88 -0.10 0.00 -0.74 0.00 0.00 36.82 38.89 1wyn h ILE 47 CO -0.14 0.31 0.61 0.18 0.00 0.00 0.00 178.15 179.12 1wyn n LEU 48 N -4.80 0.16 0.19 1.44 4.77 -1.26 0.36 117.00 117.86 1wyn n LEU 48 Ca -0.07 1.01 -0.08 0.00 -0.03 0.00 0.00 56.01 56.84 1wyn n LEU 48 Cb 0.29 -0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 40.84 1wyn n LEU 48 CO 0.25 -1.10 0.25 0.00 -1.33 0.00 0.00 177.39 175.46 1wyn h THR 50 N -0.97 0.64 -0.78 0.00 1.35 -0.16 -1.59 112.91 111.40 1wyn h THR 50 Ca -0.05 -0.16 0.14 0.00 -0.55 0.00 0.00 66.41 65.79 1wyn h THR 50 Cb 0.41 0.14 -0.14 0.00 -1.73 0.00 0.00 68.15 66.83 1wyn h THR 50 CO 0.09 0.08 -0.29 0.25 -0.25 0.00 0.00 175.52 175.40 1wyn h LEU 51 N 0.46 -1.05 0.17 3.87 5.85 -0.97 -0.33 115.31 123.31 1wyn h LEU 51 Ca 0.44 0.25 -0.01 0.00 0.84 0.00 0.00 57.88 59.41 1wyn h LEU 51 Cb 0.69 0.59 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1wyn h LEU 51 CO -0.42 -0.29 -0.08 -0.03 -0.34 0.00 0.00 178.44 177.28 1wyn h MET 52 N -0.06 -0.22 -1.02 1.25 4.05 -1.33 -2.79 114.93 114.81 1wyn h MET 52 Ca 0.33 0.02 0.35 0.00 -0.28 0.00 0.00 59.70 60.11 1wyn h MET 52 Cb 0.58 0.05 -0.15 0.00 -0.80 0.00 0.00 31.60 31.28 1wyn h MET 52 CO -0.82 -0.05 0.58 -0.91 0.23 0.00 0.00 176.91 175.94 1wyn h ASN 53 N -0.36 0.47 -0.38 1.39 2.35 -0.78 0.58 115.58 118.85 1wyn h ASN 53 Ca -0.02 0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1wyn h ASN 53 Cb 0.28 0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 1wyn h ASN 53 CO 0.04 -0.20 0.24 0.11 -1.65 0.00 0.00 177.43 175.98 1wyn h LYS 54 N 0.25 0.51 -0.03 0.81 1.79 -0.96 -3.12 116.57 115.82 1wyn h LYS 54 Ca 0.76 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 59.17 1wyn h LYS 54 Cb 1.83 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 32.37 1wyn h LYS 54 CO -0.63 0.35 -0.06 -0.07 -1.08 0.00 0.00 179.45 177.96 1wyn h LEU 55 N 0.51 0.11 -8.47 2.94 3.38 0.01 -3.43 115.31 110.36 1wyn h LEU 55 Ca 0.14 -0.58 -0.66 0.00 0.09 0.00 0.00 57.88 56.87 1wyn h LEU 55 Cb -0.04 -0.03 -0.28 0.00 0.09 0.00 0.00 40.66 40.40 1wyn h LEU 55 CO -0.03 0.66 -0.76 -1.58 0.09 0.00 0.00 178.44 176.83 1wyn s GLN 56 N -3.90 3.34 0.00 1.13 0.74 0.74 -4.98 119.66 116.73 1wyn s GLN 56 Ca -0.16 -0.67 0.10 0.00 0.05 0.00 0.00 55.36 54.68 1wyn s GLN 56 Cb 0.02 -2.78 0.60 0.00 1.10 0.00 0.00 33.01 31.95 1wyn s GLN 56 CO 0.70 0.00 1.04 -0.35 -0.55 0.00 0.00 175.29 176.13 1wyn n PRO 57 N 4.15 0.49 -2.82 1.67 -0.04 -1.24 -3.42 135.00 133.79 1wyn n PRO 57 Ca -0.18 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.17 1wyn n PRO 57 Cb 0.52 -1.32 0.06 0.00 -0.04 0.00 0.00 33.50 32.72 1wyn n PRO 57 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wyn n GLY 58 N -0.02 1.59 0.12 0.55 0.00 -1.26 -4.99 105.19 101.19 1wyn n GLY 58 Ca 0.08 -0.59 -0.06 0.00 0.00 0.00 0.00 46.02 45.44 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 0.06 1.37 -4.53 1.61 3.41 -1.22 -4.99 113.62 109.33 1wyn n SER 59 Ca 0.09 0.23 -0.34 0.00 -0.26 0.00 0.00 58.87 58.59 1wyn n SER 59 Cb 0.74 -0.65 -0.12 0.00 -0.26 0.00 0.00 64.21 63.93 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 -2.34 3.93 -0.02 -3.33 1.01 -1.26 -4.76 120.40 113.62 1wyn s VAL 60 Ca -0.20 -0.36 -0.25 0.00 0.00 0.00 0.00 61.98 61.17 1wyn s VAL 60 Cb 0.03 -2.70 -0.19 0.00 0.00 0.00 0.00 36.38 33.52 1wyn s VAL 60 CO 0.29 0.52 1.22 1.55 0.00 0.00 0.00 175.10 178.68 1wyn h PRO 61 N 6.33 -0.07 -2.80 2.72 0.13 -1.95 -3.48 132.00 132.89 1wyn h PRO 61 Ca -0.36 0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.73 1wyn h PRO 61 Cb 1.19 0.02 -0.15 0.00 0.13 0.00 0.00 31.00 32.18 1wyn h PRO 61 CO 0.61 0.38 0.07 0.21 -0.23 0.00 0.00 178.00 179.04 1wyn s LYS 62 N -4.21 1.08 -0.10 0.86 2.47 -1.26 -5.16 119.74 113.42 1wyn s LYS 62 Ca -0.15 -0.27 0.00 0.00 -1.56 0.00 0.00 55.97 53.99 1wyn s LYS 62 Cb 0.02 0.49 -0.03 0.00 -1.46 0.00 0.00 37.83 36.86 1wyn s LYS 62 CO 0.63 -0.41 -0.09 0.42 0.16 0.00 0.00 175.35 176.07 1wyn s ILE 63 N -2.67 3.47 -0.62 5.43 1.01 -1.26 -4.98 121.20 121.58 1wyn s ILE 63 Ca -0.04 -0.54 -0.23 0.00 0.00 0.00 0.00 60.65 59.84 1wyn s ILE 63 Cb -0.00 -2.44 0.06 0.00 0.01 0.00 0.00 42.46 40.09 1wyn s ILE 63 CO -0.03 0.56 0.94 0.20 0.00 0.00 0.00 174.94 176.60 1wyn s ASN 64 N -0.30 6.23 -0.24 3.58 0.01 -1.26 -4.91 114.94 118.04 1wyn s ASN 64 Ca 0.04 -0.79 -0.02 0.00 -0.71 0.00 0.00 52.86 51.37 1wyn s ASN 64 Cb -0.13 -2.42 0.06 0.00 0.41 0.00 0.00 41.25 39.17 1wyn s ASN 64 CO 0.03 -1.34 2.48 -1.14 -1.51 0.00 0.00 177.10 175.62 1wyn n ARG 65 N 7.54 1.85 -4.25 -0.60 3.00 -1.26 -4.74 116.66 118.19 1wyn n ARG 65 Ca -0.02 -1.39 -0.24 0.00 -0.00 0.00 0.00 57.85 56.19 1wyn n ARG 65 Cb 0.46 -1.71 -0.07 0.00 0.00 0.00 0.00 32.46 31.14 1wyn n ARG 65 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1wyn s SER 66 N 0.85 4.71 -0.50 6.15 0.01 -1.26 -5.03 113.70 118.63 1wyn s SER 66 Ca 0.39 -0.54 -0.01 0.00 1.31 0.00 0.00 55.95 57.10 1wyn s SER 66 Cb 0.25 -0.95 0.37 0.00 0.21 0.00 0.00 66.02 65.90 1wyn s SER 66 CO -0.06 0.02 1.99 0.80 0.41 0.00 0.00 173.24 176.40 1wyn n MET 67 N -0.73 2.27 -4.18 12.44 1.56 -1.26 -4.61 117.12 122.62 1wyn n MET 67 Ca -0.07 -2.54 -0.25 0.00 -0.27 0.00 0.00 57.70 54.56 1wyn n MET 67 Cb 0.58 -2.00 -0.07 0.00 2.15 0.00 0.00 33.22 33.88 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 -2.94 2.56 0.00 2.12 -0.21 -1.26 -5.03 119.66 114.90 1wyn s GLN 68 Ca 0.50 -1.09 0.00 0.00 0.02 0.00 0.00 55.36 54.79 1wyn s GLN 68 Cb 0.40 -2.42 0.00 0.00 1.00 0.00 0.00 33.01 31.99 1wyn s GLN 68 CO 0.00 0.44 0.70 0.09 -2.12 0.00 0.00 175.29 174.41 1wyn n ASN 69 N -0.42 0.00 -0.34 5.90 4.13 -1.26 -0.78 115.26 122.49 1wyn n ASN 69 Ca -0.09 0.78 0.22 0.00 1.68 0.00 0.00 54.58 57.17 1wyn n ASN 69 Cb 0.56 -0.38 0.41 0.00 -1.54 0.00 0.00 39.78 38.83 1wyn n ASN 69 CO 0.00 0.00 0.00 -2.67 0.28 0.00 0.00 177.26 174.87 1wyn n TRP 70 N -1.64 0.85 0.12 3.10 2.14 -1.26 0.17 117.44 120.93 1wyn n TRP 70 Ca 0.00 1.19 -0.14 0.00 2.07 0.00 0.00 57.50 60.63 1wyn n TRP 70 Cb 0.00 -1.39 -0.08 0.00 -0.81 0.00 0.00 31.31 29.03 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 -0.26 -1.00 -2.67 3.86 -1.93 -0.74 115.15 112.41 1wyn h HIS 71 Ca 0.71 -0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.97 1wyn h HIS 71 Cb 1.66 0.09 -0.07 0.00 1.06 0.00 0.00 27.41 30.15 1wyn h HIS 71 CO -0.30 -0.02 0.65 1.96 0.86 0.00 0.00 177.93 181.07 1wyn h GLN 72 N -0.46 1.15 0.50 2.45 4.20 0.19 -2.85 115.11 120.29 1wyn h GLN 72 Ca -0.03 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 1wyn h GLN 72 Cb 0.35 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1wyn h GLN 72 CO 0.05 0.76 -0.24 -0.07 -0.67 0.00 0.00 178.83 178.66 1wyn h LEU 73 N 1.19 -0.57 -1.00 1.46 -0.00 -0.46 -2.99 115.31 112.93 1wyn h LEU 73 Ca 0.43 -0.06 0.40 0.00 -0.00 0.00 0.00 57.88 58.64 1wyn h LEU 73 Cb 0.14 0.15 -0.18 0.00 -0.00 0.00 0.00 40.66 40.77 1wyn h LEU 73 CO -0.17 -0.26 0.50 -0.08 -0.00 0.00 0.00 178.44 178.44 1wyn h GLU 74 N -0.89 0.04 0.24 1.13 4.57 -0.91 0.17 114.58 118.92 1wyn h GLU 74 Ca -0.07 -0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.12 1wyn h GLU 74 Cb 0.60 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.14 1wyn h GLU 74 CO 0.11 0.02 -0.48 -0.91 -1.18 0.00 0.00 179.01 176.58 1wyn h ASN 75 N 0.04 -1.39 -0.46 1.04 2.35 -1.36 0.28 115.58 116.07 1wyn h ASN 75 Ca 0.82 0.14 0.04 0.00 -0.55 0.00 0.00 56.30 56.75 1wyn h ASN 75 Cb 2.10 0.50 -0.04 0.00 0.05 0.00 0.00 38.32 40.93 1wyn h ASN 75 CO -0.76 -0.57 0.22 -0.07 -1.65 0.00 0.00 177.43 174.60 1wyn h LEU 76 N -0.79 0.31 -1.58 1.61 3.38 -0.75 -0.19 115.31 117.29 1wyn h LEU 76 Ca -0.01 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1wyn h LEU 76 Cb 0.77 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 1wyn h LEU 76 CO -0.20 0.22 0.33 0.28 0.09 0.00 0.00 178.44 179.16 1wyn h SER 77 N 0.44 0.47 -0.08 -0.43 0.02 -0.91 0.54 113.55 113.59 1wyn h SER 77 Ca 0.20 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.04 1wyn h SER 77 Cb 0.13 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1wyn h SER 77 CO -0.15 0.33 -0.36 0.78 -1.14 0.00 0.00 176.83 176.28 1wyn h ASN 78 N 0.55 0.46 0.23 3.07 2.35 0.63 -3.07 115.58 119.79 1wyn h ASN 78 Ca 0.20 -0.64 -0.01 0.00 -0.55 0.00 0.00 56.30 55.30 1wyn h ASN 78 Cb 0.12 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1wyn h ASN 78 CO -0.05 1.02 -0.11 0.15 -1.65 0.00 0.00 177.43 176.79 1wyn h PHE 79 N -0.08 -0.28 0.00 1.19 3.57 -0.56 -2.78 116.94 118.00 1wyn h PHE 79 Ca -0.02 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1wyn h PHE 79 Cb 1.01 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.84 1wyn h PHE 79 CO 0.12 -0.06 0.00 -0.89 -2.23 0.00 0.00 178.31 175.25 1wyn n ILE 80 N -5.15 0.00 -0.57 1.41 5.41 0.13 -0.57 119.36 120.02 1wyn n ILE 80 Ca -0.09 1.46 0.47 0.00 1.00 0.00 0.00 62.75 65.59 1wyn n ILE 80 Cb 0.19 -2.14 0.80 0.00 -0.71 0.00 0.00 39.64 37.78 1wyn n ILE 80 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1wyn h LYS 81 N 0.00 0.00 -0.35 0.38 2.10 -1.62 1.29 116.57 118.38 1wyn h LYS 81 Ca 0.00 -0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.49 1wyn h LYS 81 Cb 0.00 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1wyn h LYS 81 CO 0.00 0.00 -0.41 0.00 -2.00 0.00 0.00 179.45 177.05 1wyn h ALA 82 N 1.16 0.62 -0.57 0.07 0.00 -0.54 -3.16 119.26 116.85 1wyn h ALA 82 Ca 0.81 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 55.27 1wyn h ALA 82 Cb 3.23 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 20.87 1wyn h ALA 82 CO -0.02 0.67 0.36 0.52 0.00 0.00 0.00 179.25 180.79 1wyn h MET 83 N 0.70 0.71 -0.92 0.00 2.86 0.29 -2.32 114.93 116.24 1wyn h MET 83 Ca 0.05 -0.04 0.17 0.00 -2.06 0.00 0.00 59.70 57.82 1wyn h MET 83 Cb 0.98 -0.16 -0.10 0.00 0.06 0.00 0.00 31.60 32.38 1wyn h MET 83 CO 0.09 0.47 0.51 0.28 1.06 0.00 0.00 176.91 179.32 1wyn h VAL 84 N 0.73 0.70 -0.68 -2.22 2.07 -1.48 0.05 116.25 115.42 1wyn h VAL 84 Ca 0.22 -0.23 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 1wyn h VAL 84 Cb -0.04 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 29.67 1wyn h VAL 84 CO -0.07 0.12 0.13 -1.28 0.02 0.00 0.00 177.57 176.50 1wyn h SER 85 N 0.67 1.06 -0.78 0.57 0.87 -1.46 -2.91 113.55 111.57 1wyn h SER 85 Ca 0.52 -0.25 0.13 0.00 -1.23 0.00 0.00 61.79 60.97 1wyn h SER 85 Cb 0.80 -0.28 -0.09 0.00 -0.44 0.00 0.00 62.40 62.39 1wyn h SER 85 CO -0.39 1.04 0.37 0.22 -0.53 0.00 0.00 176.83 177.54 1wyn h TYR 86 N 1.04 0.65 0.00 2.24 3.20 -0.72 -3.45 116.97 119.93 1wyn h TYR 86 Ca 0.21 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.11 1wyn h TYR 86 Cb 0.41 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.51 1wyn h TYR 86 CO 0.03 0.15 0.00 0.41 -1.64 0.00 0.00 178.16 177.12 1wyn n GLY 87 N -1.32 0.66 3.95 1.82 0.00 -1.08 -4.89 105.19 104.33 1wyn n GLY 87 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 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 1.18 0.33 1.61 -1.94 -1.21 -5.06 119.30 114.21 1wyn s MET 88 Ca 0.00 -0.55 0.01 0.00 -1.71 0.00 0.00 55.69 53.45 1wyn s MET 88 Cb 0.00 -2.02 -0.03 0.00 2.01 0.00 0.00 34.83 34.79 1wyn s MET 88 CO 0.00 -1.97 0.52 -0.80 -0.01 0.00 0.00 175.02 172.76 1wyn s ASN 89 N -4.79 6.29 0.00 3.03 -0.87 -1.26 -4.87 114.94 112.47 1wyn s ASN 89 Ca 0.70 0.38 0.15 0.00 -1.57 0.00 0.00 52.86 52.51 1wyn s ASN 89 Cb -0.05 -1.99 0.77 0.00 -0.02 0.00 0.00 41.25 39.95 1wyn s ASN 89 CO 0.49 -0.26 1.41 -0.81 -2.57 0.00 0.00 177.10 175.36 1wyn n PRO 90 N -1.72 0.23 -0.00 -0.60 -0.04 -1.26 -2.47 135.00 129.14 1wyn n PRO 90 Ca -0.05 0.13 0.02 0.00 -0.04 0.00 0.00 63.50 63.56 1wyn n PRO 90 Cb 0.56 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.50 1wyn n PRO 90 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1wyn n VAL 91 N -1.26 0.00 0.76 0.52 3.14 -1.26 -4.58 118.33 115.65 1wyn n VAL 91 Ca 0.07 -0.09 0.01 0.00 -2.96 0.00 0.00 64.34 61.37 1wyn n VAL 91 Cb 0.11 0.45 0.05 0.00 -1.06 0.00 0.00 33.84 33.40 1wyn n VAL 91 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1wyn n ASP 92 N -1.59 1.61 -4.87 6.55 9.92 -1.03 -4.83 116.55 122.31 1wyn n ASP 92 Ca -0.01 -2.12 -0.25 0.00 -0.53 0.00 0.00 54.79 51.88 1wyn n ASP 92 Cb 0.08 -0.52 -0.02 0.00 -0.64 0.00 0.00 41.12 40.02 1wyn n ASP 92 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1wyn s LEU 93 N -0.38 2.86 0.00 0.64 1.43 -1.25 -4.30 118.68 117.69 1wyn s LEU 93 Ca 0.07 -1.15 -0.01 0.00 -1.03 0.00 0.00 54.13 52.00 1wyn s LEU 93 Cb 0.05 -1.35 -0.01 0.00 0.03 0.00 0.00 46.19 44.92 1wyn s LEU 93 CO 0.02 -0.93 0.02 0.72 0.23 0.00 0.00 176.35 176.41 1wyn s PHE 94 N -2.70 0.08 0.73 0.29 -0.71 -1.26 -4.82 117.98 109.59 1wyn s PHE 94 Ca 0.36 -0.16 -0.11 0.00 -1.04 0.00 0.00 56.93 55.98 1wyn s PHE 94 Cb -0.01 -0.07 0.03 0.00 -1.21 0.00 0.00 43.02 41.76 1wyn s PHE 94 CO 0.22 -0.11 1.07 -1.21 -1.34 0.00 0.00 175.22 173.85 1wyn s GLU 95 N -0.66 2.64 0.11 1.99 8.01 -1.26 -4.92 118.70 124.61 1wyn s GLU 95 Ca -0.07 0.88 -0.16 0.00 0.01 0.00 0.00 54.97 55.62 1wyn s GLU 95 Cb -0.05 -1.96 -0.03 0.00 -4.31 0.00 0.00 34.13 27.78 1wyn s GLU 95 CO -0.00 -1.29 1.59 0.00 0.01 0.00 0.00 175.26 175.57 1wyn h ALA 96 N -0.86 0.47 -0.88 5.21 0.00 -1.95 -3.01 119.26 118.25 1wyn h ALA 96 Ca -0.45 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.23 1wyn h ALA 96 Cb 1.23 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1wyn h ALA 96 CO 0.57 0.19 0.47 -0.91 0.00 0.00 0.00 179.25 179.57 1wyn h ASN 97 N 0.43 1.11 -0.95 0.00 2.35 -1.97 -0.86 115.58 115.69 1wyn h ASN 97 Ca 0.11 -0.11 0.29 0.00 -0.55 0.00 0.00 56.30 56.04 1wyn h ASN 97 Cb 0.37 -0.28 -0.18 0.00 0.05 0.00 0.00 38.32 38.28 1wyn h ASN 97 CO 0.01 0.90 0.12 0.47 -1.65 0.00 0.00 177.43 177.28 1wyn n ASP 98 N -4.33 -0.02 -0.11 5.81 8.00 -1.14 -0.16 116.55 124.60 1wyn n ASP 98 Ca 0.09 1.62 -0.22 0.00 0.71 0.00 0.00 54.79 56.98 1wyn n ASP 98 Cb 0.11 -0.63 -0.11 0.00 -0.02 0.00 0.00 41.12 40.47 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 -5.37 1.88 -0.06 0.64 7.94 -1.06 0.25 117.00 121.22 1wyn n LEU 99 Ca 0.25 0.42 -0.07 0.00 -1.11 0.00 0.00 56.01 55.50 1wyn n LEU 99 Cb 0.84 -0.93 -0.05 0.00 0.53 0.00 0.00 43.42 43.80 1wyn n LEU 99 CO -0.06 0.29 0.50 0.15 -1.11 0.00 0.00 177.39 177.17 1wyn h PHE 100 N -1.00 -0.85 -0.98 1.96 3.57 -0.38 -1.73 116.94 117.53 1wyn h PHE 100 Ca -0.40 0.04 -0.63 0.00 3.53 0.00 0.00 57.97 60.52 1wyn h PHE 100 Cb 1.32 0.39 -0.29 0.00 2.79 0.00 0.00 35.95 40.17 1wyn h PHE 100 CO 0.04 -0.25 0.81 0.39 -2.23 0.00 0.00 178.31 177.07 1wyn n GLU 101 N -4.03 2.55 -1.79 1.11 1.02 0.78 -4.86 120.64 115.42 1wyn n GLU 101 Ca -0.02 -3.15 0.00 0.00 -0.02 0.00 0.00 57.16 53.97 1wyn n GLU 101 Cb 0.17 -2.23 0.00 0.00 -0.02 0.00 0.00 31.44 29.36 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 -0.93 -0.54 0.13 1.62 3.41 -0.65 -4.66 113.62 112.00 1wyn n SER 102 Ca 0.61 0.27 0.08 0.00 -0.26 0.00 0.00 58.87 59.56 1wyn n SER 102 Cb 0.90 -0.76 0.41 0.00 -0.26 0.00 0.00 64.21 64.51 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 -0.27 -0.72 3.18 5.00 0.00 0.64 -4.41 105.19 108.60 1wyn n GLY 103 Ca 0.00 0.14 0.05 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.66 -0.32 0.00 1.61 3.84 0.14 -4.77 114.94 111.78 1wyn s ASN 104 Ca -0.02 0.25 0.19 0.00 0.21 0.00 0.00 52.86 53.49 1wyn s ASN 104 Cb 0.04 1.29 -0.06 0.00 -0.55 0.00 0.00 41.25 41.98 1wyn s ASN 104 CO 0.14 -0.06 0.92 0.23 -2.79 0.00 0.00 177.10 175.54 1wyn n MET 105 N 5.31 1.32 0.01 0.43 2.81 -1.26 -4.04 117.12 121.70 1wyn n MET 105 Ca -0.08 -0.68 -0.19 0.00 -1.81 0.00 0.00 57.70 54.95 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 1.58 0.74 -0.21 2.03 1.35 -1.94 -3.15 112.91 113.31 1wyn h THR 106 Ca 0.00 -2.47 -0.16 0.00 -0.55 0.00 0.00 66.41 63.24 1wyn h THR 106 Cb 0.60 2.54 -0.01 0.00 -1.73 0.00 0.00 68.15 69.55 1wyn h THR 106 CO 0.00 0.81 -0.51 -0.61 -0.25 0.00 0.00 175.52 174.96 1wyn h GLN 107 N 0.06 0.60 -0.11 4.72 5.75 -1.89 -2.74 115.11 121.50 1wyn h GLN 107 Ca -0.37 -0.36 -0.17 0.00 -0.15 0.00 0.00 58.65 57.60 1wyn h GLN 107 Cb 2.04 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 30.61 1wyn h GLN 107 CO 0.10 0.96 -0.65 0.28 -2.65 0.00 0.00 178.83 176.88 1wyn h VAL 108 N 0.47 1.36 0.40 2.39 2.07 -1.73 -2.36 116.25 118.85 1wyn h VAL 108 Ca 0.02 -1.99 -0.02 0.00 0.82 0.00 0.00 66.70 65.53 1wyn h VAL 108 Cb 1.05 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 1wyn h VAL 108 CO 0.10 0.60 -0.19 -0.61 0.02 0.00 0.00 177.57 177.49 1wyn h GLN 109 N 0.30 -0.51 -0.44 1.57 4.15 -1.50 -3.03 115.11 115.65 1wyn h GLN 109 Ca -0.01 0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.45 1wyn h GLN 109 Cb 1.19 0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.97 1wyn h GLN 109 CO 0.11 -0.24 0.28 -0.39 -1.93 0.00 0.00 178.83 176.66 1wyn h VAL 110 N -0.72 1.08 -0.82 2.39 -1.51 -1.56 -2.27 116.25 112.84 1wyn h VAL 110 Ca -0.05 -0.19 0.16 0.00 -1.23 0.00 0.00 66.70 65.38 1wyn h VAL 110 Cb 0.51 0.47 -0.15 0.00 -2.13 0.00 0.00 31.29 29.98 1wyn h VAL 110 CO 0.09 0.10 -0.23 -1.28 -1.23 0.00 0.00 177.57 175.02 1wyn h SER 111 N 0.56 -0.84 -0.45 4.19 0.87 -1.40 0.38 113.55 116.86 1wyn h SER 111 Ca 0.17 0.25 -0.11 0.00 -1.23 0.00 0.00 61.79 60.87 1wyn h SER 111 Cb -0.03 0.53 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1wyn h SER 111 CO -0.06 -0.28 -0.14 -0.07 -0.53 0.00 0.00 176.83 175.76 1wyn h LEU 112 N -0.01 0.90 -2.34 2.23 3.38 -1.37 0.44 115.31 118.53 1wyn h LEU 112 Ca 0.38 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1wyn h LEU 112 Cb 0.60 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1wyn h LEU 112 CO -0.85 1.07 -0.04 -0.07 0.09 0.00 0.00 178.44 178.64 1wyn h LEU 113 N 0.72 0.00 0.07 1.67 3.38 0.01 0.93 115.31 122.09 1wyn h LEU 113 Ca 0.11 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.73 1wyn h LEU 113 Cb 0.69 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1wyn h LEU 113 CO 0.05 0.04 -2.03 0.00 0.09 0.00 0.00 178.44 176.59 1wyn n ALA 114 N -2.24 1.13 0.10 1.53 0.00 0.99 -3.64 120.51 118.39 1wyn n ALA 114 Ca -0.02 -0.75 -0.03 0.00 0.00 0.00 0.00 53.44 52.64 1wyn n ALA 114 Cb 0.15 -0.60 0.18 0.00 0.00 0.00 0.00 19.45 19.17 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 0.04 0.22 0.48 0.00 5.85 -0.48 -3.18 115.31 118.24 1wyn h LEU 115 Ca -0.42 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.16 1wyn h LEU 115 Cb 2.02 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 43.00 1wyn h LEU 115 CO 0.06 0.70 -0.23 0.00 -0.34 0.00 0.00 178.44 178.63 1wyn h ALA 116 N 1.30 -0.64 -1.15 1.25 0.00 -1.00 -1.24 119.26 117.79 1wyn h ALA 116 Ca 0.00 -0.18 0.36 0.00 0.00 0.00 0.00 54.91 55.10 1wyn h ALA 116 Cb 0.98 0.25 -0.13 0.00 0.00 0.00 0.00 17.79 18.88 1wyn h ALA 116 CO 0.08 -0.64 0.71 0.78 0.00 0.00 0.00 179.25 180.18 1wyn h GLY 117 N -1.07 1.56 0.80 0.00 0.00 -1.63 0.26 103.07 102.99 1wyn h GLY 117 Ca -0.07 -0.17 -0.18 0.00 0.00 0.00 0.00 47.33 46.91 1wyn h GLY 117 CO 0.11 -0.39 -0.76 1.70 0.00 0.00 0.00 176.54 177.20 1wyn h LYS 118 N 0.22 0.40 -0.81 4.80 3.64 -1.54 -3.31 116.57 119.97 1wyn h LYS 118 Ca 0.75 -0.52 0.06 0.00 -1.27 0.00 0.00 60.65 59.67 1wyn h LYS 118 Cb 2.05 0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 33.98 1wyn h LYS 118 CO -0.46 1.19 0.50 0.00 -2.27 0.00 0.00 179.45 178.40 1wyn h ALA 119 N 0.23 1.10 -0.99 5.00 0.00 0.65 -2.31 119.26 122.94 1wyn h ALA 119 Ca -0.11 -0.01 0.33 0.00 0.00 0.00 0.00 54.91 55.12 1wyn h ALA 119 Cb 1.51 -0.22 -0.18 0.00 0.00 0.00 0.00 17.79 18.90 1wyn h ALA 119 CO 0.15 0.24 0.26 0.87 0.00 0.00 0.00 179.25 180.76 1wyn h LYS 120 N 0.91 0.02 -0.76 0.00 1.79 -0.97 0.26 116.57 117.83 1wyn h LYS 120 Ca 0.35 -0.00 0.30 0.00 -2.18 0.00 0.00 60.65 59.12 1wyn h LYS 120 Cb 0.15 -0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 30.66 1wyn h LYS 120 CO -0.17 0.01 0.36 -2.37 -1.08 0.00 0.00 179.45 176.21 1wyn n THR 121 N -5.38 -0.32 -0.17 -0.16 5.66 -0.87 0.87 114.28 113.92 1wyn n THR 121 Ca 0.29 1.55 -0.05 0.00 -3.05 0.00 0.00 64.05 62.79 1wyn n THR 121 Cb 0.98 -2.49 0.01 0.00 -1.55 0.00 0.00 70.33 67.28 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 -0.16 0.00 1.09 1.79 -0.69 -3.29 116.57 115.31 1wyn h LYS 122 Ca 0.62 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.10 1wyn h LYS 122 Cb 1.61 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 32.30 1wyn h LYS 122 CO -0.60 -0.10 0.00 0.41 -1.08 0.00 0.00 179.45 178.08 1wyn n GLY 123 N -1.42 -0.82 3.55 3.86 0.00 0.25 -4.79 105.19 105.81 1wyn n GLY 123 Ca 0.04 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.55 1wyn n GLY 123 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1wyn n LEU 124 N -0.44 0.96 -4.71 0.99 -0.00 -1.18 -4.86 117.00 107.74 1wyn n LEU 124 Ca 0.00 1.14 -0.42 0.00 -0.00 0.00 0.00 56.01 56.73 1wyn n LEU 124 Cb 0.00 -1.13 -0.03 0.00 -0.00 0.00 0.00 43.42 42.26 1wyn n LEU 124 CO 0.00 -1.58 1.00 -1.10 -0.00 0.00 0.00 177.39 175.72 1wyn s GLN 125 N -0.32 4.36 0.35 1.47 -0.21 -1.26 -4.73 119.66 119.32 1wyn s GLN 125 Ca 0.76 1.97 0.09 0.00 0.02 0.00 0.00 55.36 58.20 1wyn s GLN 125 Cb -0.94 -3.28 -0.06 0.00 1.00 0.00 0.00 33.01 29.72 1wyn s GLN 125 CO 0.53 -0.38 -0.03 -1.12 -2.12 0.00 0.00 175.29 172.17 1wyn s SER 126 N 1.10 3.96 0.00 5.90 0.01 -1.26 -5.14 113.70 118.26 1wyn s SER 126 Ca 0.63 -1.12 0.00 0.00 1.31 0.00 0.00 55.95 56.77 1wyn s SER 126 Cb -0.34 -0.43 0.00 0.00 0.21 0.00 0.00 66.02 65.45 1wyn s SER 126 CO 0.30 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.31 1wyn n GLY 127 N -0.89 1.92 3.70 3.44 0.00 -1.26 -5.08 105.19 107.02 1wyn n GLY 127 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1wyn n GLY 127 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wyn s VAL 128 N 3.75 4.30 1.22 1.61 1.01 -1.26 -4.86 120.40 126.17 1wyn s VAL 128 Ca 0.00 1.64 -0.14 0.00 0.00 0.00 0.00 61.98 63.47 1wyn s VAL 128 Cb 0.00 -4.05 0.31 0.00 0.00 0.00 0.00 36.38 32.64 1wyn s VAL 128 CO 0.00 0.07 1.01 1.51 0.00 0.00 0.00 175.10 177.69 1wyn s ASP 129 N 1.21 0.51 0.03 3.32 1.47 -1.26 -4.95 116.67 117.00 1wyn s ASP 129 Ca 0.56 1.39 -0.26 0.00 1.18 0.00 0.00 52.55 55.42 1wyn s ASP 129 Cb -0.26 -2.14 -0.17 0.00 -0.34 0.00 0.00 42.92 40.01 1wyn s ASP 129 CO 0.26 -4.48 1.44 0.40 0.68 0.00 0.00 175.17 173.47 1wyn h ILE 130 N -2.81 0.83 0.00 2.11 2.04 -1.91 -3.48 117.51 114.30 1wyn h ILE 130 Ca -0.60 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 64.82 1wyn h ILE 130 Cb 1.34 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1wyn h ILE 130 CO 0.48 0.10 0.00 0.61 0.00 0.00 0.00 178.15 179.33 1wyn n GLY 131 N -0.61 -0.03 3.19 5.37 0.00 -1.26 -5.17 105.19 106.68 1wyn n GLY 131 Ca -0.09 -0.28 -0.26 0.00 0.00 0.00 0.00 46.02 45.39 1wyn n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wyn s VAL 132 N 0.00 1.52 -0.16 1.61 1.01 -1.26 -5.13 120.40 117.98 1wyn s VAL 132 Ca 0.00 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.18 1wyn s VAL 132 Cb 0.00 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 35.12 1wyn s VAL 132 CO 0.00 0.43 -0.18 -0.75 0.00 0.00 0.00 175.10 174.60 1wyn s LYS 133 N -0.34 3.10 -0.20 2.72 2.36 -1.26 -5.10 119.74 121.01 1wyn s LYS 133 Ca 0.05 -0.79 -0.18 0.00 -2.55 0.00 0.00 55.97 52.49 1wyn s LYS 133 Cb -0.08 -2.59 0.05 0.00 -1.05 0.00 0.00 37.83 34.16 1wyn s LYS 133 CO -0.00 -0.08 0.54 1.52 1.55 0.00 0.00 175.35 178.88 1wyn s TYR 134 N 1.03 -0.61 -0.30 4.03 1.13 -1.26 -5.15 117.35 116.21 1wyn s TYR 134 Ca -0.02 1.47 -0.09 0.00 -1.41 0.00 0.00 57.07 57.03 1wyn s TYR 134 Cb -0.15 0.22 0.14 0.00 -1.10 0.00 0.00 41.96 41.08 1wyn s TYR 134 CO -0.05 -0.30 0.66 -1.12 -2.51 0.00 0.00 175.55 172.23 1wyn s SER 135 N 0.40 -1.16 0.26 -0.18 0.01 -1.26 -5.14 113.70 106.63 1wyn s SER 135 Ca -0.01 1.42 0.08 0.00 1.31 0.00 0.00 55.95 58.75 1wyn s SER 135 Cb -0.04 2.25 -0.04 0.00 0.21 0.00 0.00 66.02 68.40 1wyn s SER 135 CO -0.01 -0.22 0.16 -1.83 0.41 0.00 0.00 173.24 171.75 1wyn s GLU 136 N 2.87 2.78 0.29 12.44 1.03 -1.26 -5.13 118.70 131.72 1wyn s GLU 136 Ca -0.01 -1.14 0.06 0.00 0.03 0.00 0.00 54.97 53.90 1wyn s GLU 136 Cb -0.12 -2.47 -0.02 0.00 -0.80 0.00 0.00 34.13 30.71 1wyn s GLU 136 CO -0.19 0.38 0.38 0.21 -1.33 0.00 0.00 175.26 174.71 1wyn s LYS 137 N -3.81 3.19 -0.14 -4.83 2.20 -1.26 -5.11 119.74 109.98 1wyn s LYS 137 Ca 0.33 -0.94 -0.34 0.00 -0.36 0.00 0.00 55.97 54.66 1wyn s LYS 137 Cb -0.07 -2.79 0.13 0.00 -1.51 0.00 0.00 37.83 33.59 1wyn s LYS 137 CO 0.24 0.25 1.18 1.14 -0.36 0.00 0.00 175.35 177.79 1wyn s GLN 138 N -4.04 0.39 -0.19 4.03 0.00 -1.26 -5.14 119.66 113.45 1wyn s GLN 138 Ca 0.39 -0.16 -0.19 0.00 -0.00 0.00 0.00 55.36 55.40 1wyn s GLN 138 Cb -0.09 0.17 0.05 0.00 0.00 0.00 0.00 33.01 33.15 1wyn s GLN 138 CO 0.29 -0.17 0.54 -2.00 0.00 0.00 0.00 175.29 173.95 1wyn s GLU 139 N -2.52 0.66 0.04 9.60 2.56 -1.26 -5.17 118.70 122.61 1wyn s GLU 139 Ca 0.09 0.69 0.02 0.00 0.00 0.00 0.00 54.97 55.78 1wyn s GLU 139 Cb -0.00 0.32 -0.04 0.00 2.00 0.00 0.00 34.13 36.41 1wyn s GLU 139 CO -0.05 -0.09 0.05 -0.98 -0.56 0.00 0.00 175.26 173.63 1wyn s ARG 140 N 0.15 2.88 0.03 4.30 1.70 -1.26 -5.12 118.95 121.62 1wyn s ARG 140 Ca -0.01 -0.63 -0.08 0.00 -0.47 0.00 0.00 55.73 54.54 1wyn s ARG 140 Cb -0.04 -2.73 -0.00 0.00 -0.57 0.00 0.00 34.95 31.61 1wyn s ARG 140 CO 0.01 0.60 0.15 -1.54 -1.08 0.00 0.00 175.30 173.45 1wyn s SER 141 N -2.01 0.07 0.00 -2.89 1.04 -1.26 -5.13 113.70 103.51 1wyn s SER 141 Ca 0.25 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.32 1wyn s SER 141 Cb -0.12 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1wyn s SER 141 CO 0.17 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.50 1wyn n GLY 142 N 0.92 -1.13 3.55 7.32 0.00 -1.26 -4.57 105.19 110.02 1wyn n GLY 142 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 1wyn n GLY 142 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wyn s PRO 143 N 0.00 2.61 0.30 1.61 0.04 -1.26 -4.95 135.00 133.35 1wyn s PRO 143 Ca 0.00 0.39 -0.30 0.00 0.04 0.00 0.00 61.00 61.14 1wyn s PRO 143 Cb 0.00 -4.55 -0.12 0.00 0.04 0.00 0.00 34.50 29.87 1wyn s PRO 143 CO 0.00 -2.89 1.45 -1.13 0.04 0.00 0.00 177.00 174.47 1wyn n SER 144 N 13.06 3.24 0.26 6.66 3.41 -1.26 -4.92 113.62 134.07 1wyn n SER 144 Ca 0.25 1.17 -0.17 0.00 -0.26 0.00 0.00 58.87 59.86 1wyn n SER 144 Cb 0.51 -1.52 -0.09 0.00 -0.26 0.00 0.00 64.21 62.85 1wyn n SER 144 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1wyn h SER 145 N 3.81 -1.21 0.00 4.04 0.87 -1.98 -3.54 113.55 115.54 1wyn h SER 145 Ca -0.47 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1wyn h SER 145 Cb 1.26 0.41 0.00 0.00 -0.44 0.00 0.00 62.40 63.62 1wyn h SER 145 CO 0.72 -0.59 0.00 0.61 -0.53 0.00 0.00 176.83 177.04