#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 0.62 -0.04 1.61 1.04 -1.26 -5.05 113.70 110.62 1wyn s SER 2 Ca 0.00 0.18 -0.20 0.00 0.48 0.00 0.00 55.95 56.42 1wyn s SER 2 Cb 0.00 0.81 -0.14 0.00 0.10 0.00 0.00 66.02 66.79 1wyn s SER 2 CO 0.00 -0.29 0.83 0.28 0.98 0.00 0.00 173.24 175.03 1wyn h SER 3 N 8.24 -0.26 -1.74 7.02 0.02 -2.16 -3.46 113.55 121.21 1wyn h SER 3 Ca -0.17 -0.25 -0.55 0.00 -0.84 0.00 0.00 61.79 59.98 1wyn h SER 3 Cb 1.14 0.07 -0.08 0.00 0.14 0.00 0.00 62.40 63.68 1wyn h SER 3 CO 0.24 0.26 -0.51 -0.83 -1.14 0.00 0.00 176.83 174.85 1wyn s GLY 4 N -3.16 2.11 -0.19 -3.77 0.00 -1.26 -5.14 107.32 95.91 1wyn s GLY 4 Ca -0.11 -1.94 -0.32 0.00 0.00 0.00 0.00 44.72 42.34 1wyn s GLY 4 CO 0.42 -1.81 1.18 -1.35 0.00 0.00 0.00 173.10 171.53 1wyn s SER 5 N -3.89 -0.18 0.32 1.64 1.04 -1.26 -5.19 113.70 106.17 1wyn s SER 5 Ca 0.40 0.09 -0.08 0.00 0.48 0.00 0.00 55.95 56.83 1wyn s SER 5 Cb -0.00 0.17 0.01 0.00 0.10 0.00 0.00 66.02 66.29 1wyn s SER 5 CO 0.23 -0.24 0.52 -0.44 0.98 0.00 0.00 173.24 174.29 1wyn s SER 6 N -1.75 0.41 0.00 7.02 0.01 -1.26 -5.06 113.70 113.07 1wyn s SER 6 Ca 0.07 -1.24 0.00 0.00 1.31 0.00 0.00 55.95 56.09 1wyn s SER 6 Cb -0.01 0.66 0.00 0.00 0.21 0.00 0.00 66.02 66.89 1wyn s SER 6 CO -0.04 -1.30 0.00 0.61 0.41 0.00 0.00 173.24 172.91 1wyn n GLY 7 N -0.49 0.04 3.71 3.44 0.00 -1.26 -5.12 105.19 105.51 1wyn n GLY 7 Ca -0.01 0.06 -0.57 0.00 0.00 0.00 0.00 46.02 45.49 1wyn n GLY 7 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wyn n ASN 8 N 0.00 2.45 -3.64 1.61 4.13 -1.26 -4.92 115.26 113.64 1wyn n ASN 8 Ca 0.00 1.06 -0.08 0.00 1.68 0.00 0.00 54.58 57.25 1wyn n ASN 8 Cb 0.00 -1.15 -0.07 0.00 -1.54 0.00 0.00 39.78 37.02 1wyn n ASN 8 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 1wyn s ARG 9 N 3.64 0.41 0.07 3.52 3.00 -1.26 -5.18 118.95 123.15 1wyn s ARG 9 Ca 0.98 0.50 0.06 0.00 -1.00 0.00 0.00 55.73 56.27 1wyn s ARG 9 Cb -1.05 0.20 -0.03 0.00 0.00 0.00 0.00 34.95 34.07 1wyn s ARG 9 CO 0.65 -0.05 -0.16 -0.51 0.00 0.00 0.00 175.30 175.23 1wyn s LEU 10 N 0.22 2.25 0.31 -0.88 1.43 -1.26 -5.15 118.68 115.59 1wyn s LEU 10 Ca 0.04 -0.59 -0.01 0.00 -1.03 0.00 0.00 54.13 52.54 1wyn s LEU 10 Cb -0.05 -0.62 -0.04 0.00 0.03 0.00 0.00 46.19 45.51 1wyn s LEU 10 CO -0.08 -0.02 0.51 -0.76 0.23 0.00 0.00 176.35 176.24 1wyn s LEU 11 N -1.61 4.07 -0.06 1.79 1.02 -1.26 -5.05 118.68 117.58 1wyn s LEU 11 Ca 0.01 0.48 -0.30 0.00 0.02 0.00 0.00 54.13 54.34 1wyn s LEU 11 Cb -0.09 -3.31 -0.04 0.00 0.02 0.00 0.00 46.19 42.77 1wyn s LEU 11 CO 0.02 -0.22 1.29 -0.94 0.02 0.00 0.00 176.35 176.53 1wyn s SER 12 N -3.71 6.95 0.29 2.29 1.04 -1.26 -5.02 113.70 114.28 1wyn s SER 12 Ca 0.40 1.90 0.04 0.00 0.48 0.00 0.00 55.95 58.77 1wyn s SER 12 Cb -0.10 -2.55 -0.06 0.00 0.10 0.00 0.00 66.02 63.41 1wyn s SER 12 CO 0.33 -0.68 0.01 -0.54 0.98 0.00 0.00 173.24 173.35 1wyn s LYS 13 N 2.62 1.53 0.33 4.02 1.02 -1.26 -4.99 119.74 123.01 1wyn s LYS 13 Ca 0.59 -1.81 0.10 0.00 0.02 0.00 0.00 55.97 54.87 1wyn s LYS 13 Cb -0.26 -0.87 -0.06 0.00 -0.52 0.00 0.00 37.83 36.12 1wyn s LYS 13 CO 0.22 -0.10 -0.09 -0.47 -0.92 0.00 0.00 175.35 173.99 1wyn s TYR 14 N -3.26 2.42 -0.30 3.18 5.04 -1.26 -4.65 117.35 118.52 1wyn s TYR 14 Ca 0.32 -0.45 -0.10 0.00 -2.44 0.00 0.00 57.07 54.40 1wyn s TYR 14 Cb 0.07 -1.32 0.16 0.00 0.35 0.00 0.00 41.96 41.22 1wyn s TYR 14 CO 0.13 0.59 0.83 0.34 -1.34 0.00 0.00 175.55 176.10 1wyn s ASP 15 N -3.61 -0.87 0.00 4.32 -1.08 -1.26 -5.02 116.67 109.15 1wyn s ASP 15 Ca 0.32 0.93 0.14 0.00 -0.52 0.00 0.00 52.55 53.42 1wyn s ASP 15 Cb 0.00 1.88 0.67 0.00 -1.46 0.00 0.00 42.92 44.02 1wyn s ASP 15 CO 0.17 -0.17 1.43 -0.81 0.52 0.00 0.00 175.17 176.31 1wyn n PRO 16 N 5.28 0.11 -0.11 4.34 -0.04 -1.26 -2.29 135.00 141.03 1wyn n PRO 16 Ca -0.08 0.20 -0.17 0.00 -0.04 0.00 0.00 63.50 63.41 1wyn n PRO 16 Cb 0.51 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.35 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 0.67 -0.06 0.54 10.64 -1.26 -4.47 117.38 122.05 1wyn n GLN 17 Ca 0.05 0.15 -0.13 0.00 -1.83 0.00 0.00 57.00 55.24 1wyn n GLN 17 Cb 0.14 -1.55 -0.07 0.00 -0.86 0.00 0.00 30.24 27.90 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 0.01 0.37 -0.98 2.61 1.79 -1.93 -3.23 116.57 115.21 1wyn h LYS 18 Ca -0.55 -0.19 0.21 0.00 -2.18 0.00 0.00 60.65 57.94 1wyn h LYS 18 Cb 1.97 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 32.43 1wyn h LYS 18 CO -0.05 0.74 -0.22 -1.91 -1.08 0.00 0.00 179.45 176.94 1wyn n GLU 19 N -4.55 -0.09 -0.35 3.15 2.13 -0.97 0.15 120.64 120.11 1wyn n GLU 19 Ca -0.06 1.53 0.04 0.00 0.66 0.00 0.00 57.16 59.33 1wyn n GLU 19 Cb 0.36 -2.30 0.19 0.00 0.27 0.00 0.00 31.44 29.96 1wyn n GLU 19 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wyn h ALA 20 N 1.97 1.39 -0.84 4.31 0.00 -1.77 -1.07 119.26 123.24 1wyn h ALA 20 Ca 0.49 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.48 1wyn h ALA 20 Cb 0.78 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 1wyn h ALA 20 CO -1.00 0.31 0.55 0.93 0.00 0.00 0.00 179.25 180.03 1wyn h GLU 21 N 1.04 0.86 0.20 0.00 5.08 0.12 -0.52 114.58 121.37 1wyn h GLU 21 Ca 0.44 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.74 1wyn h GLU 21 Cb 0.30 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1wyn h GLU 21 CO -0.21 0.57 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.20 1wyn h LEU 22 N 0.89 -0.22 -1.21 1.33 3.38 -0.81 -1.02 115.31 117.64 1wyn h LEU 22 Ca 0.37 0.01 0.29 0.00 0.09 0.00 0.00 57.88 58.64 1wyn h LEU 22 Cb 0.30 0.06 -0.12 0.00 0.09 0.00 0.00 40.66 40.99 1wyn h LEU 22 CO -0.14 -0.12 0.66 0.08 0.09 0.00 0.00 178.44 179.01 1wyn h ARG 23 N -0.35 0.38 -0.05 1.13 0.11 -1.42 0.91 114.38 115.08 1wyn h ARG 23 Ca -0.03 -0.02 -0.11 0.00 0.10 0.00 0.00 59.98 59.92 1wyn h ARG 23 Cb 0.20 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.18 1wyn h ARG 23 CO 0.04 0.25 -0.47 1.15 0.10 0.00 0.00 179.97 181.04 1wyn h THR 24 N 0.39 1.34 0.02 0.08 2.02 -1.08 0.32 112.91 116.00 1wyn h THR 24 Ca 0.66 -1.66 -0.24 0.00 0.77 0.00 0.00 66.41 65.94 1wyn h THR 24 Cb 1.60 1.83 -0.03 0.00 -1.74 0.00 0.00 68.15 69.81 1wyn h THR 24 CO -0.41 0.48 -1.25 -0.25 0.37 0.00 0.00 175.52 174.46 1wyn h TRP 25 N 0.10 0.07 0.00 3.16 7.01 0.20 -3.32 115.95 123.17 1wyn h TRP 25 Ca 0.00 -0.05 -0.04 0.00 2.11 0.00 0.00 58.89 60.91 1wyn h TRP 25 Cb 0.88 -0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.93 1wyn h TRP 25 CO 0.01 1.05 -0.27 0.82 -2.79 0.00 0.00 178.44 177.26 1wyn h ILE 26 N 0.01 0.94 -1.33 2.65 2.04 -0.10 -2.96 117.51 118.76 1wyn h ILE 26 Ca -0.11 -1.79 0.43 0.00 1.00 0.00 0.00 64.86 64.39 1wyn h ILE 26 Cb 1.87 1.87 -0.12 0.00 -0.74 0.00 0.00 36.82 39.69 1wyn h ILE 26 CO 0.12 0.32 0.87 -0.33 0.00 0.00 0.00 178.15 179.13 1wyn h GLU 27 N -1.00 0.09 0.13 2.37 4.39 -0.54 0.75 114.58 120.77 1wyn h GLU 27 Ca -0.06 -0.01 -0.30 0.00 0.34 0.00 0.00 59.36 59.34 1wyn h GLU 27 Cb 0.72 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.35 1wyn h GLU 27 CO -0.04 0.06 -1.44 0.78 -1.16 0.00 0.00 179.01 177.21 1wyn h GLY 28 N 0.09 0.31 0.87 -3.84 0.00 -1.68 0.25 103.07 99.07 1wyn h GLY 28 Ca 0.81 -0.80 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 1wyn h GLY 28 CO -0.39 0.70 -0.42 1.41 0.00 0.00 0.00 176.54 177.84 1wyn h LEU 29 N 0.07 -0.99 0.00 3.11 3.38 0.64 -3.26 115.31 118.26 1wyn h LEU 29 Ca -0.21 0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.60 1wyn h LEU 29 Cb 2.01 0.26 -0.03 0.00 0.09 0.00 0.00 40.66 42.99 1wyn h LEU 29 CO 0.18 -0.66 -0.97 0.71 0.09 0.00 0.00 178.44 177.79 1wyn h THR 30 N -1.26 1.47 0.00 0.22 1.35 -1.37 -3.48 112.91 109.84 1wyn h THR 30 Ca -0.12 -3.13 0.00 0.00 -0.55 0.00 0.00 66.41 62.62 1wyn h THR 30 Cb 0.90 2.72 0.00 0.00 -1.73 0.00 0.00 68.15 70.04 1wyn h THR 30 CO 0.20 0.84 0.00 0.61 -0.25 0.00 0.00 175.52 176.92 1wyn n GLY 31 N 1.34 0.49 2.96 5.82 0.00 0.07 -5.05 105.19 110.83 1wyn n GLY 31 Ca -0.01 -0.51 -0.15 0.00 0.00 0.00 0.00 46.02 45.35 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 -4.26 0.99 4.77 -1.19 -4.98 117.00 112.34 1wyn n LEU 32 Ca 0.00 -1.88 -0.31 0.00 -0.03 0.00 0.00 56.01 53.79 1wyn n LEU 32 Cb 0.00 -0.33 -0.16 0.00 -2.33 0.00 0.00 43.42 40.59 1wyn n LEU 32 CO 0.00 -0.67 -0.56 -0.94 -1.33 0.00 0.00 177.39 173.88 1wyn s SER 33 N -3.75 2.98 0.04 -1.43 1.04 -1.26 -4.61 113.70 106.70 1wyn s SER 33 Ca 0.47 -0.49 -0.16 0.00 0.48 0.00 0.00 55.95 56.24 1wyn s SER 33 Cb -0.04 -0.77 -0.33 0.00 0.10 0.00 0.00 66.02 64.99 1wyn s SER 33 CO 0.30 0.24 1.04 0.40 0.98 0.00 0.00 173.24 176.20 1wyn h ILE 34 N 5.02 1.29 0.00 -1.02 2.04 -1.92 -3.49 117.51 119.43 1wyn h ILE 34 Ca -0.33 -2.57 0.00 0.00 1.00 0.00 0.00 64.86 62.96 1wyn h ILE 34 Cb 1.17 2.89 0.00 0.00 -0.74 0.00 0.00 36.82 40.14 1wyn h ILE 34 CO 0.47 0.77 0.00 0.61 0.00 0.00 0.00 178.15 180.01 1wyn n GLY 35 N 1.56 -0.68 0.00 5.37 0.00 -1.26 -3.84 105.19 106.34 1wyn n GLY 35 Ca -0.15 -2.22 0.08 0.00 0.00 0.00 0.00 46.02 43.73 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 -0.13 0.43 -3.87 1.61 -0.04 -1.26 -4.72 135.00 127.01 1wyn n PRO 36 Ca 0.00 0.03 -0.10 0.00 -0.04 0.00 0.00 63.50 63.39 1wyn n PRO 36 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 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 -2.13 0.08 -0.15 3.54 2.15 -1.26 -5.09 116.67 113.81 1wyn s ASP 37 Ca 0.22 -0.41 -0.11 0.00 0.43 0.00 0.00 52.55 52.68 1wyn s ASP 37 Cb 0.11 0.26 -0.04 0.00 -0.30 0.00 0.00 42.92 42.94 1wyn s ASP 37 CO 0.19 -0.53 -0.19 0.33 -0.17 0.00 0.00 175.17 174.80 1wyn n PHE 38 N 0.78 0.77 -0.29 -5.34 7.35 -1.26 -3.15 117.46 116.32 1wyn n PHE 38 Ca -0.19 0.34 0.11 0.00 -0.76 0.00 0.00 57.45 56.94 1wyn n PHE 38 Cb 0.58 -0.75 0.27 0.00 0.35 0.00 0.00 39.48 39.94 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 -1.00 0.38 0.09 -4.13 -0.00 -1.97 -0.70 115.11 107.79 1wyn h GLN 39 Ca -0.02 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.60 1wyn h GLN 39 Cb 0.64 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 28.03 1wyn h GLN 39 CO -0.01 0.25 -0.04 0.87 0.00 0.00 0.00 178.83 179.90 1wyn h LYS 40 N 0.40 -0.11 -1.46 1.69 1.57 -1.93 1.13 116.57 117.86 1wyn h LYS 40 Ca 0.51 0.01 0.47 0.00 -1.87 0.00 0.00 60.65 59.78 1wyn h LYS 40 Cb 0.93 0.03 -0.11 0.00 0.08 0.00 0.00 32.23 33.15 1wyn h LYS 40 CO -0.51 -0.08 0.98 0.41 -0.57 0.00 0.00 179.45 179.69 1wyn n GLY 41 N 0.40 -0.83 0.09 3.86 0.00 -1.11 0.19 105.19 107.79 1wyn n GLY 41 Ca -0.01 0.69 -0.06 0.00 0.00 0.00 0.00 46.02 46.63 1wyn n GLY 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wyn n LEU 42 N -4.33 0.43 -0.08 0.99 4.77 -0.28 -4.40 117.00 114.09 1wyn n LEU 42 Ca 0.39 0.20 -0.02 0.00 -0.03 0.00 0.00 56.01 56.55 1wyn n LEU 42 Cb 1.59 0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 42.94 1wyn n LEU 42 CO 0.24 0.36 0.45 1.17 -1.33 0.00 0.00 177.39 178.28 1wyn n LYS 43 N -2.83 -0.08 -0.32 3.23 4.81 0.50 0.11 118.16 123.58 1wyn n LYS 43 Ca -0.21 0.99 0.23 0.00 -0.87 0.00 0.00 58.31 58.45 1wyn n LYS 43 Cb 1.02 -1.48 0.53 0.00 0.02 0.00 0.00 35.03 35.12 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 0.41 -0.76 3.14 3.04 -1.79 -3.42 116.42 117.04 1wyn h ASP 44 Ca 0.03 0.08 0.00 0.00 -3.24 0.00 0.00 57.03 53.89 1wyn h ASP 44 Cb 0.07 0.01 0.00 0.00 -1.04 0.00 0.00 39.33 38.37 1wyn h ASP 44 CO -0.17 0.08 0.00 0.61 -2.04 0.00 0.00 179.24 177.72 1wyn n GLY 45 N -1.50 0.92 0.06 7.15 0.00 0.31 -4.42 105.19 107.70 1wyn n GLY 45 Ca 0.25 -0.45 -0.03 0.00 0.00 0.00 0.00 46.02 45.79 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 0.17 0.31 2.61 1.35 -1.77 -3.35 112.91 112.23 1wyn h THR 46 Ca 0.00 -1.14 -0.02 0.00 -0.55 0.00 0.00 66.41 64.70 1wyn h THR 46 Cb 0.69 0.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.44 1wyn h THR 46 CO 0.00 0.06 -0.15 0.40 -0.25 0.00 0.00 175.52 175.58 1wyn h ILE 47 N -1.00 0.60 -0.68 6.82 2.04 -1.92 -3.22 117.51 120.15 1wyn h ILE 47 Ca -0.01 -0.74 0.22 0.00 1.00 0.00 0.00 64.86 65.33 1wyn h ILE 47 Cb 0.26 0.92 -0.13 0.00 -0.74 0.00 0.00 36.82 37.13 1wyn h ILE 47 CO -0.01 0.12 0.12 0.18 0.00 0.00 0.00 178.15 178.56 1wyn n LEU 48 N -5.09 0.01 0.30 1.44 4.77 -1.26 0.12 117.00 117.28 1wyn n LEU 48 Ca -0.09 1.16 -0.17 0.00 -0.03 0.00 0.00 56.01 56.88 1wyn n LEU 48 Cb 0.27 -0.46 -0.09 0.00 -2.33 0.00 0.00 43.42 40.81 1wyn n LEU 48 CO 0.27 -1.21 0.68 0.00 -1.33 0.00 0.00 177.39 175.80 1wyn h THR 50 N -0.74 0.97 -0.84 0.00 1.35 0.83 -2.16 112.91 112.33 1wyn h THR 50 Ca -0.07 -0.21 0.21 0.00 -0.55 0.00 0.00 66.41 65.78 1wyn h THR 50 Cb 0.56 0.29 -0.14 0.00 -1.73 0.00 0.00 68.15 67.13 1wyn h THR 50 CO 0.12 0.11 0.16 0.25 -0.25 0.00 0.00 175.52 175.91 1wyn h LEU 51 N 0.63 -0.11 -0.20 3.87 5.85 -0.76 0.71 115.31 125.29 1wyn h LEU 51 Ca 0.27 0.19 -0.05 0.00 0.84 0.00 0.00 57.88 59.13 1wyn h LEU 51 Cb 0.16 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1wyn h LEU 51 CO -0.17 -0.16 -0.07 -0.03 -0.34 0.00 0.00 178.44 177.68 1wyn h MET 52 N 0.18 0.41 -0.79 1.25 4.05 -1.24 -2.87 114.93 115.91 1wyn h MET 52 Ca 0.50 -0.16 0.23 0.00 -0.28 0.00 0.00 59.70 59.99 1wyn h MET 52 Cb 0.97 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.72 1wyn h MET 52 CO -0.65 0.67 0.58 -0.91 0.23 0.00 0.00 176.91 176.82 1wyn h ASN 53 N 0.12 0.00 -0.12 1.39 2.35 -0.48 0.26 115.58 119.10 1wyn h ASN 53 Ca 0.05 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.75 1wyn h ASN 53 Cb 0.53 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.90 1wyn h ASN 53 CO 0.02 0.00 -0.13 0.11 -1.65 0.00 0.00 177.43 175.79 1wyn h LYS 54 N 0.00 0.30 0.21 0.81 1.79 -1.04 -3.35 116.57 115.29 1wyn h LYS 54 Ca 0.37 -0.16 -0.01 0.00 -2.18 0.00 0.00 60.65 58.67 1wyn h LYS 54 Cb 1.53 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.19 1wyn h LYS 54 CO -0.00 0.71 -0.10 -0.07 -1.08 0.00 0.00 179.45 178.90 1wyn h LEU 55 N -0.09 -0.24 -8.82 2.94 3.38 -0.96 -3.43 115.31 108.08 1wyn h LEU 55 Ca 0.02 -0.27 -0.64 0.00 0.09 0.00 0.00 57.88 57.08 1wyn h LEU 55 Cb 0.66 0.06 -0.20 0.00 0.09 0.00 0.00 40.66 41.27 1wyn h LEU 55 CO 0.03 0.28 -0.60 -1.58 0.09 0.00 0.00 178.44 176.66 1wyn s GLN 56 N -3.46 3.78 0.00 1.13 0.74 0.71 -4.97 119.66 117.59 1wyn s GLN 56 Ca -0.12 -0.43 0.11 0.00 0.05 0.00 0.00 55.36 54.97 1wyn s GLN 56 Cb 0.01 -3.26 0.64 0.00 1.10 0.00 0.00 33.01 31.49 1wyn s GLN 56 CO 0.43 0.01 1.07 -0.35 -0.55 0.00 0.00 175.29 175.90 1wyn n PRO 57 N 4.33 0.49 -2.83 1.67 -0.04 -1.26 -3.37 135.00 133.99 1wyn n PRO 57 Ca -0.16 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.19 1wyn n PRO 57 Cb 0.52 -1.34 0.05 0.00 -0.04 0.00 0.00 33.50 32.68 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 1.83 0.24 0.55 0.00 -1.26 -4.98 105.19 101.55 1wyn n GLY 58 Ca 0.08 -0.82 -0.05 0.00 0.00 0.00 0.00 46.02 45.23 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 0.02 1.13 -4.33 1.61 3.41 -1.22 -4.98 113.62 109.27 1wyn n SER 59 Ca 0.10 0.19 -0.35 0.00 -0.26 0.00 0.00 58.87 58.55 1wyn n SER 59 Cb 0.75 -0.57 -0.14 0.00 -0.26 0.00 0.00 64.21 63.99 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 -2.10 3.39 0.01 -3.33 1.01 -1.26 -4.77 120.40 113.35 1wyn s VAL 60 Ca -0.15 -0.49 -0.23 0.00 0.00 0.00 0.00 61.98 61.11 1wyn s VAL 60 Cb 0.02 -2.53 -0.17 0.00 0.00 0.00 0.00 36.38 33.69 1wyn s VAL 60 CO 0.22 0.43 1.31 1.55 0.00 0.00 0.00 175.10 178.61 1wyn h PRO 61 N 7.93 0.17 -2.26 2.72 0.13 -1.98 -3.47 132.00 135.24 1wyn h PRO 61 Ca -0.40 -0.09 -0.07 0.00 -0.87 0.00 0.00 66.00 64.57 1wyn h PRO 61 Cb 1.17 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.08 1wyn h PRO 61 CO 0.60 0.61 0.01 0.21 -0.23 0.00 0.00 178.00 179.20 1wyn s LYS 62 N -4.29 0.75 0.00 0.86 2.20 -1.26 -4.81 119.74 113.19 1wyn s LYS 62 Ca -0.15 0.75 -0.13 0.00 -0.36 0.00 0.00 55.97 56.08 1wyn s LYS 62 Cb 0.03 0.36 -0.06 0.00 -1.51 0.00 0.00 37.83 36.66 1wyn s LYS 62 CO 0.71 -0.11 0.38 0.42 -0.36 0.00 0.00 175.35 176.39 1wyn s ILE 63 N 0.10 5.08 0.04 5.43 1.01 -1.26 -5.01 121.20 126.60 1wyn s ILE 63 Ca -0.02 0.72 -0.29 0.00 0.00 0.00 0.00 60.65 61.07 1wyn s ILE 63 Cb -0.04 -3.67 -0.17 0.00 0.01 0.00 0.00 42.46 38.59 1wyn s ILE 63 CO 0.02 0.53 1.42 0.78 0.00 0.00 0.00 174.94 177.69 1wyn h ASN 64 N 4.55 -0.57 -2.78 3.58 2.35 -1.91 -3.45 115.58 117.35 1wyn h ASN 64 Ca -0.51 -0.05 -0.21 0.00 -0.55 0.00 0.00 56.30 54.98 1wyn h ASN 64 Cb 1.22 0.15 -0.05 0.00 0.05 0.00 0.00 38.32 39.69 1wyn h ASN 64 CO 0.62 -0.29 -0.23 -1.14 -1.65 0.00 0.00 177.43 174.74 1wyn n ARG 65 N -5.32 -1.80 -2.98 0.81 3.00 -1.26 -4.91 116.66 104.20 1wyn n ARG 65 Ca -0.11 0.55 -0.19 0.00 -0.00 0.00 0.00 57.85 58.09 1wyn n ARG 65 Cb 0.31 -4.94 0.06 0.00 0.00 0.00 0.00 32.46 27.89 1wyn n ARG 65 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1wyn n SER 66 N -0.97 2.10 -0.00 6.15 2.88 -1.26 -5.05 113.62 117.47 1wyn n SER 66 Ca -0.11 -2.53 -0.12 0.00 -1.33 0.00 0.00 58.87 54.78 1wyn n SER 66 Cb 0.47 -0.40 -0.14 0.00 -0.75 0.00 0.00 64.21 63.39 1wyn n SER 66 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 1wyn h MET 67 N 0.00 0.09 -6.27 -1.46 4.05 -2.01 -3.44 114.93 105.89 1wyn h MET 67 Ca -0.27 -0.15 -0.62 0.00 -0.28 0.00 0.00 59.70 58.38 1wyn h MET 67 Cb 1.23 0.06 0.13 0.00 -0.80 0.00 0.00 31.60 32.21 1wyn h MET 67 CO 0.39 0.75 -0.36 1.04 0.23 0.00 0.00 176.91 178.96 1wyn n GLN 68 N -3.21 0.58 0.03 0.39 1.13 -1.26 -4.89 117.38 110.16 1wyn n GLN 68 Ca -0.20 0.21 -0.12 0.00 -1.94 0.00 0.00 57.00 54.95 1wyn n GLN 68 Cb 1.04 -1.44 -0.09 0.00 0.11 0.00 0.00 30.24 29.86 1wyn n GLN 68 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 1wyn h ASN 69 N 1.05 -0.11 -0.84 1.08 4.21 -2.01 -2.97 115.58 115.99 1wyn h ASN 69 Ca -0.38 -0.43 0.14 0.00 1.21 0.00 0.00 56.30 56.85 1wyn h ASN 69 Cb 1.40 0.03 -0.06 0.00 -1.12 0.00 0.00 38.32 38.56 1wyn h ASN 69 CO 0.54 0.42 0.55 4.11 -1.29 0.00 0.00 177.43 181.76 1wyn h TRP 70 N -0.70 0.70 -0.07 1.19 0.09 -2.00 -1.54 115.95 113.61 1wyn h TRP 70 Ca -0.01 0.02 -0.00 0.00 0.09 0.00 0.00 58.89 58.98 1wyn h TRP 70 Cb 0.54 -0.22 -0.00 0.00 0.08 0.00 0.00 29.16 29.56 1wyn h TRP 70 CO 0.10 0.26 0.04 0.45 0.09 0.00 0.00 178.44 179.37 1wyn h HIS 71 N 0.59 0.11 -0.81 0.12 3.86 -1.92 -2.23 115.15 114.86 1wyn h HIS 71 Ca 0.42 -0.01 0.10 0.00 -1.16 0.00 0.00 60.37 59.73 1wyn h HIS 71 Cb 0.76 -0.03 -0.06 0.00 1.06 0.00 0.00 27.41 29.14 1wyn h HIS 71 CO -0.00 0.19 0.53 1.96 0.86 0.00 0.00 177.93 181.47 1wyn h GLN 72 N -0.01 0.71 0.12 2.45 4.20 -1.12 -2.31 115.11 119.15 1wyn h GLN 72 Ca 0.03 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1wyn h GLN 72 Cb 0.12 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.74 1wyn h GLN 72 CO -0.00 0.47 -0.06 -0.07 -0.67 0.00 0.00 178.83 178.50 1wyn h LEU 73 N 0.73 -0.14 -1.00 1.46 -0.00 -1.12 -2.97 115.31 112.27 1wyn h LEU 73 Ca 0.38 -0.21 0.33 0.00 -0.00 0.00 0.00 57.88 58.38 1wyn h LEU 73 Cb 0.49 0.04 -0.15 0.00 -0.00 0.00 0.00 40.66 41.03 1wyn h LEU 73 CO -0.15 0.13 0.56 -0.08 -0.00 0.00 0.00 178.44 178.90 1wyn h GLU 74 N -0.42 0.29 -0.21 1.13 4.57 -0.83 0.10 114.58 119.21 1wyn h GLU 74 Ca -0.02 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.20 1wyn h GLU 74 Cb 0.34 -0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 28.79 1wyn h GLU 74 CO 0.03 0.19 -0.29 -0.91 -1.18 0.00 0.00 179.01 176.85 1wyn h ASN 75 N 0.30 -0.93 -0.10 1.04 2.35 -1.38 0.02 115.58 116.87 1wyn h ASN 75 Ca 0.74 0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 56.63 1wyn h ASN 75 Cb 1.70 0.42 -0.00 0.00 0.05 0.00 0.00 38.32 40.48 1wyn h ASN 75 CO -0.62 -0.32 0.04 -0.07 -1.65 0.00 0.00 177.43 174.80 1wyn h LEU 76 N -0.32 0.13 -0.99 1.61 3.38 -0.91 -1.99 115.31 116.21 1wyn h LEU 76 Ca 0.12 -0.16 0.22 0.00 0.09 0.00 0.00 57.88 58.15 1wyn h LEU 76 Cb 0.51 -0.03 -0.12 0.00 0.09 0.00 0.00 40.66 41.11 1wyn h LEU 76 CO -0.39 0.26 0.59 -1.28 0.09 0.00 0.00 178.44 177.70 1wyn h SER 77 N 0.00 0.70 0.28 -0.43 0.87 -0.85 0.12 113.55 114.24 1wyn h SER 77 Ca 0.03 0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1wyn h SER 77 Cb 0.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1wyn h SER 77 CO -0.00 0.18 -0.13 0.78 -0.53 0.00 0.00 176.83 177.12 1wyn h ASN 78 N 0.65 -0.31 -0.62 6.23 2.35 -0.74 -2.89 115.58 120.25 1wyn h ASN 78 Ca 0.61 -0.22 0.12 0.00 -0.55 0.00 0.00 56.30 56.25 1wyn h ASN 78 Cb 1.06 0.08 -0.09 0.00 0.05 0.00 0.00 38.32 39.42 1wyn h ASN 78 CO -0.44 0.12 0.14 0.15 -1.65 0.00 0.00 177.43 175.76 1wyn h PHE 79 N -0.83 0.23 -0.08 1.19 3.57 -0.59 -1.15 116.94 119.28 1wyn h PHE 79 Ca -0.04 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1wyn h PHE 79 Cb 0.51 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.19 1wyn h PHE 79 CO 0.04 -0.02 -0.26 0.82 -2.23 0.00 0.00 178.31 176.66 1wyn h ILE 80 N 0.28 0.39 -0.89 1.41 2.04 -0.84 -1.30 117.51 118.60 1wyn h ILE 80 Ca 0.33 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.26 1wyn h ILE 80 Cb 0.49 0.39 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 1wyn h ILE 80 CO -0.41 0.00 0.58 0.11 0.00 0.00 0.00 178.15 178.43 1wyn h LYS 81 N -0.36 0.96 -0.85 2.37 1.79 -1.15 -1.33 116.57 118.00 1wyn h LYS 81 Ca 0.09 -0.06 0.03 0.00 -2.18 0.00 0.00 60.65 58.53 1wyn h LYS 81 Cb 0.48 -0.22 -0.05 0.00 -1.58 0.00 0.00 32.23 30.87 1wyn h LYS 81 CO -0.29 0.63 0.56 0.00 -1.08 0.00 0.00 179.45 179.28 1wyn h ALA 82 N 1.52 1.45 -0.38 3.86 0.00 -0.13 -2.42 119.26 123.16 1wyn h ALA 82 Ca 0.39 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1wyn h ALA 82 Cb 0.24 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1wyn h ALA 82 CO -0.15 0.48 0.19 0.52 0.00 0.00 0.00 179.25 180.29 1wyn h MET 83 N 1.08 0.54 -0.82 0.00 2.86 -0.44 -1.82 114.93 116.34 1wyn h MET 83 Ca 0.33 -0.07 0.15 0.00 -2.06 0.00 0.00 59.70 58.05 1wyn h MET 83 Cb -0.01 -0.10 -0.10 0.00 0.06 0.00 0.00 31.60 31.45 1wyn h MET 83 CO -0.09 0.46 0.38 0.28 1.06 0.00 0.00 176.91 179.00 1wyn h VAL 84 N 0.48 0.67 -0.37 -2.22 2.07 -1.26 -0.83 116.25 114.78 1wyn h VAL 84 Ca 0.13 -0.18 -0.15 0.00 0.82 0.00 0.00 66.70 67.32 1wyn h VAL 84 Cb 0.09 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 1wyn h VAL 84 CO -0.02 0.10 -0.36 -1.28 0.02 0.00 0.00 177.57 176.02 1wyn h SER 85 N 0.52 0.96 -1.02 0.57 0.87 -1.37 -3.05 113.55 111.04 1wyn h SER 85 Ca 0.46 -0.47 0.25 0.00 -1.23 0.00 0.00 61.79 60.80 1wyn h SER 85 Cb 0.70 -0.27 -0.09 0.00 -0.44 0.00 0.00 62.40 62.30 1wyn h SER 85 CO -0.40 1.23 0.66 0.22 -0.53 0.00 0.00 176.83 178.00 1wyn h TYR 86 N 0.71 0.66 0.00 2.24 3.20 -0.29 -3.44 116.97 120.04 1wyn h TYR 86 Ca 0.06 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1wyn h TYR 86 Cb 0.96 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.03 1wyn h TYR 86 CO 0.07 0.08 0.00 0.41 -1.64 0.00 0.00 178.16 177.08 1wyn n GLY 87 N -1.47 1.67 3.96 1.82 0.00 -1.03 -5.11 105.19 105.03 1wyn n GLY 87 Ca 0.24 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 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 2.97 0.46 1.61 -1.94 -1.16 -5.07 119.30 116.17 1wyn s MET 88 Ca 0.00 -0.62 -0.05 0.00 -1.71 0.00 0.00 55.69 53.31 1wyn s MET 88 Cb 0.00 -2.58 -0.04 0.00 2.01 0.00 0.00 34.83 34.22 1wyn s MET 88 CO 0.00 -0.32 0.77 -0.80 -0.01 0.00 0.00 175.02 174.66 1wyn s ASN 89 N -4.26 6.29 0.16 3.03 -0.87 -1.26 -4.78 114.94 113.25 1wyn s ASN 89 Ca 0.50 0.92 0.20 0.00 -1.57 0.00 0.00 52.86 52.91 1wyn s ASN 89 Cb -0.10 -2.24 0.84 0.00 -0.02 0.00 0.00 41.25 39.73 1wyn s ASN 89 CO 0.37 -0.54 1.61 -0.81 -2.57 0.00 0.00 177.10 175.16 1wyn n PRO 90 N -2.11 0.12 0.00 -0.60 -0.04 -1.26 -2.08 135.00 129.04 1wyn n PRO 90 Ca 0.00 0.36 0.11 0.00 -0.04 0.00 0.00 63.50 63.93 1wyn n PRO 90 Cb 0.55 -1.73 -0.05 0.00 -0.04 0.00 0.00 33.50 32.23 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 -1.95 0.02 -0.50 0.52 0.24 -1.26 -4.06 118.33 111.34 1wyn n VAL 91 Ca 0.03 -0.08 0.11 0.00 -2.04 0.00 0.00 64.34 62.35 1wyn n VAL 91 Cb 0.20 0.68 0.35 0.00 -1.47 0.00 0.00 33.84 33.60 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 -1.64 4.40 -5.00 -1.34 8.00 -0.88 -4.95 116.55 115.14 1wyn n ASP 92 Ca 0.03 -2.21 -0.22 0.00 0.71 0.00 0.00 54.79 53.10 1wyn n ASP 92 Cb 0.37 -0.54 0.04 0.00 -0.02 0.00 0.00 41.12 40.97 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 -1.40 2.94 -0.06 0.64 1.43 -1.23 -4.11 118.68 116.89 1wyn s LEU 93 Ca 0.51 -1.00 -0.16 0.00 -1.03 0.00 0.00 54.13 52.45 1wyn s LEU 93 Cb 0.30 -1.43 0.03 0.00 0.03 0.00 0.00 46.19 45.12 1wyn s LEU 93 CO 0.30 -1.31 0.37 0.72 0.23 0.00 0.00 176.35 176.66 1wyn s PHE 94 N -2.72 -0.30 0.63 0.29 -0.71 -1.26 -4.82 117.98 109.08 1wyn s PHE 94 Ca 0.53 0.59 -0.10 0.00 -1.04 0.00 0.00 56.93 56.91 1wyn s PHE 94 Cb -0.04 0.14 0.16 0.00 -1.21 0.00 0.00 43.02 42.07 1wyn s PHE 94 CO 0.34 -0.36 0.51 0.39 -1.34 0.00 0.00 175.22 174.76 1wyn n GLU 95 N 1.71 -2.35 -0.04 1.99 1.02 -1.26 -4.87 120.64 116.85 1wyn n GLU 95 Ca -0.19 -0.82 0.03 0.00 -0.02 0.00 0.00 57.16 56.16 1wyn n GLU 95 Cb 0.56 -0.83 -0.16 0.00 -0.02 0.00 0.00 31.44 31.00 1wyn n GLU 95 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wyn n ALA 96 N -4.01 2.30 0.05 0.62 0.00 -1.26 -4.37 120.51 113.84 1wyn n ALA 96 Ca -0.10 -0.79 -0.13 0.00 0.00 0.00 0.00 53.44 52.42 1wyn n ALA 96 Cb 0.29 -0.58 -0.14 0.00 0.00 0.00 0.00 19.45 19.02 1wyn n ALA 96 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1wyn h ASN 97 N 0.00 0.24 -0.87 0.00 2.35 -1.95 -3.15 115.58 112.19 1wyn h ASN 97 Ca -0.20 -0.32 0.21 0.00 -0.55 0.00 0.00 56.30 55.44 1wyn h ASN 97 Cb 1.46 -0.08 -0.16 0.00 0.05 0.00 0.00 38.32 39.59 1wyn h ASN 97 CO 0.01 1.27 -0.04 -2.24 -1.65 0.00 0.00 177.43 174.79 1wyn h ASP 98 N 0.04 -0.50 0.05 5.81 3.04 -1.87 0.53 116.42 123.52 1wyn h ASP 98 Ca -0.19 0.24 -0.08 0.00 -3.24 0.00 0.00 57.03 53.77 1wyn h ASP 98 Cb 1.96 0.44 0.01 0.00 -1.04 0.00 0.00 39.33 40.69 1wyn h ASP 98 CO 0.14 -0.27 -0.35 0.25 -2.04 0.00 0.00 179.24 176.98 1wyn h LEU 99 N 0.05 0.16 0.09 0.15 5.85 -1.72 1.90 115.31 121.78 1wyn h LEU 99 Ca 0.48 -0.96 0.01 0.00 0.84 0.00 0.00 57.88 58.25 1wyn h LEU 99 Cb 0.89 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 1wyn h LEU 99 CO -0.82 1.16 -0.36 0.15 -0.34 0.00 0.00 178.44 178.23 1wyn h PHE 100 N -0.79 -1.06 -0.83 1.25 3.57 -1.25 -2.29 116.94 115.56 1wyn h PHE 100 Ca -0.07 0.03 -0.50 0.00 3.53 0.00 0.00 57.97 60.96 1wyn h PHE 100 Cb 1.23 0.45 -0.25 0.00 2.79 0.00 0.00 35.95 40.18 1wyn h PHE 100 CO 0.24 -0.41 0.65 0.39 -2.23 0.00 0.00 178.31 176.95 1wyn n GLU 101 N -4.52 2.24 -2.27 1.11 -0.58 0.18 -4.86 120.64 111.94 1wyn n GLU 101 Ca -0.06 -2.62 0.00 0.00 -0.42 0.00 0.00 57.16 54.06 1wyn n GLU 101 Cb 0.28 -2.03 0.00 0.00 -0.57 0.00 0.00 31.44 29.13 1wyn n GLU 101 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1wyn n SER 102 N -0.66 -0.87 0.32 1.62 3.41 -0.85 -4.69 113.62 111.90 1wyn n SER 102 Ca 0.51 0.44 0.20 0.00 -0.26 0.00 0.00 58.87 59.76 1wyn n SER 102 Cb 1.01 -0.90 1.09 0.00 -0.26 0.00 0.00 64.21 65.15 1wyn n SER 102 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1wyn h GLY 103 N 0.00 0.00 -6.00 5.00 0.00 0.28 -3.40 103.07 98.95 1wyn h GLY 103 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.48 1wyn h GLY 103 CO 0.00 0.00 -0.11 -1.31 0.00 0.00 0.00 176.54 175.12 1wyn s ASN 104 N -5.46 -1.01 -0.01 0.19 -0.87 0.08 -4.87 114.94 102.99 1wyn s ASN 104 Ca -0.04 0.63 0.21 0.00 -1.57 0.00 0.00 52.86 52.08 1wyn s ASN 104 Cb 0.13 1.84 -0.27 0.00 -0.02 0.00 0.00 41.25 42.94 1wyn s ASN 104 CO 0.46 -0.19 0.72 0.23 -2.57 0.00 0.00 177.10 175.75 1wyn n MET 105 N 5.45 0.32 -0.01 -0.60 2.81 -1.26 -3.92 117.12 119.91 1wyn n MET 105 Ca -0.03 -0.08 -0.10 0.00 -1.81 0.00 0.00 57.70 55.68 1wyn n MET 105 Cb 0.52 -1.49 -0.14 0.00 -0.71 0.00 0.00 33.22 31.40 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 0.00 0.85 0.03 2.03 1.35 -1.95 -3.21 112.91 112.01 1wyn h THR 106 Ca 0.00 -2.68 -0.23 0.00 -0.55 0.00 0.00 66.41 62.95 1wyn h THR 106 Cb 0.68 2.45 -0.00 0.00 -1.73 0.00 0.00 68.15 69.55 1wyn h THR 106 CO 0.00 0.55 -1.00 -0.61 -0.25 0.00 0.00 175.52 174.21 1wyn h GLN 107 N 0.01 0.29 0.00 4.72 5.75 -1.90 -2.91 115.11 121.07 1wyn h GLN 107 Ca -0.29 -0.36 -0.06 0.00 -0.15 0.00 0.00 58.65 57.79 1wyn h GLN 107 Cb 2.01 0.11 -0.01 0.00 1.07 0.00 0.00 27.48 30.66 1wyn h GLN 107 CO 0.08 1.08 -0.29 0.28 -2.65 0.00 0.00 178.83 177.33 1wyn h VAL 108 N 0.14 0.59 0.05 2.39 2.07 -1.72 -2.91 116.25 116.86 1wyn h VAL 108 Ca -0.08 -1.50 -0.00 0.00 0.82 0.00 0.00 66.70 65.94 1wyn h VAL 108 Cb 1.66 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 33.46 1wyn h VAL 108 CO 0.16 0.29 -0.02 -0.61 0.02 0.00 0.00 177.57 177.41 1wyn h GLN 109 N 0.00 -0.06 -0.25 1.57 -0.00 -1.55 -3.25 115.11 111.57 1wyn h GLN 109 Ca -0.00 0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.67 1wyn h GLN 109 Cb 1.01 0.01 -0.01 0.00 0.00 0.00 0.00 27.48 28.49 1wyn h GLN 109 CO 0.04 0.57 0.16 -0.39 0.00 0.00 0.00 178.83 179.22 1wyn h VAL 110 N -0.87 1.03 -0.39 2.39 -1.51 -1.59 -2.20 116.25 113.11 1wyn h VAL 110 Ca -0.01 -0.09 0.03 0.00 -1.23 0.00 0.00 66.70 65.40 1wyn h VAL 110 Cb 0.66 0.73 -0.03 0.00 -2.13 0.00 0.00 31.29 30.52 1wyn h VAL 110 CO 0.01 0.05 0.19 -1.28 -1.23 0.00 0.00 177.57 175.31 1wyn h SER 111 N 0.27 0.26 -0.35 4.19 0.87 -1.58 0.67 113.55 117.90 1wyn h SER 111 Ca 0.10 0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.54 1wyn h SER 111 Cb 0.05 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1wyn h SER 111 CO -0.02 0.19 -0.31 -0.07 -0.53 0.00 0.00 176.83 176.10 1wyn h LEU 112 N 0.38 0.87 -2.05 2.23 3.38 -1.46 -0.72 115.31 117.94 1wyn h LEU 112 Ca 0.17 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 1wyn h LEU 112 Cb 0.08 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1wyn h LEU 112 CO -0.12 1.15 -0.08 -0.07 0.09 0.00 0.00 178.44 179.41 1wyn h LEU 113 N 0.61 0.00 0.09 1.67 3.38 -1.06 -0.18 115.31 119.83 1wyn h LEU 113 Ca 0.06 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.70 1wyn h LEU 113 Cb 0.89 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1wyn h LEU 113 CO 0.08 0.08 -1.82 0.00 0.09 0.00 0.00 178.44 176.87 1wyn h ALA 114 N 1.92 0.48 -0.15 1.53 0.00 -0.62 -3.21 119.26 119.22 1wyn h ALA 114 Ca -0.00 -1.35 -0.16 0.00 0.00 0.00 0.00 54.91 53.40 1wyn h ALA 114 Cb 0.29 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1wyn h ALA 114 CO 0.01 1.34 -0.60 1.25 0.00 0.00 0.00 179.25 181.25 1wyn h LEU 115 N 0.05 0.55 0.45 0.00 5.85 -0.76 -3.27 115.31 118.19 1wyn h LEU 115 Ca -0.35 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.04 1wyn h LEU 115 Cb 2.03 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.90 1wyn h LEU 115 CO 0.11 1.02 -0.22 0.00 -0.34 0.00 0.00 178.44 179.01 1wyn h ALA 116 N 0.98 -0.61 -1.66 1.25 0.00 -1.19 -2.15 119.26 115.89 1wyn h ALA 116 Ca -0.00 -0.19 0.51 0.00 0.00 0.00 0.00 54.91 55.23 1wyn h ALA 116 Cb 1.14 0.24 -0.10 0.00 0.00 0.00 0.00 17.79 19.07 1wyn h ALA 116 CO 0.11 -0.64 1.15 0.78 0.00 0.00 0.00 179.25 180.64 1wyn h GLY 117 N -1.00 0.61 0.97 0.00 0.00 -1.64 0.94 103.07 102.95 1wyn h GLY 117 Ca -0.06 -0.05 -0.32 0.00 0.00 0.00 0.00 47.33 46.90 1wyn h GLY 117 CO 0.10 -0.20 -1.51 1.70 0.00 0.00 0.00 176.54 176.63 1wyn h LYS 118 N 0.02 0.42 0.00 4.80 3.64 -1.59 -3.31 116.57 120.55 1wyn h LYS 118 Ca 0.88 -0.72 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1wyn h LYS 118 Cb 3.23 0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 35.31 1wyn h LYS 118 CO -0.21 1.35 -0.07 0.00 -2.27 0.00 0.00 179.45 178.24 1wyn h ALA 119 N 0.10 1.02 -0.09 5.00 0.00 0.13 -2.53 119.26 122.88 1wyn h ALA 119 Ca -0.29 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1wyn h ALA 119 Cb 2.03 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 1wyn h ALA 119 CO 0.20 0.09 -0.10 0.87 0.00 0.00 0.00 179.25 180.31 1wyn h LYS 120 N 0.00 0.14 0.00 0.00 1.57 -0.05 -2.86 116.57 115.37 1wyn h LYS 120 Ca -0.00 -0.02 -0.32 0.00 -1.87 0.00 0.00 60.65 58.44 1wyn h LYS 120 Cb 0.59 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.82 1wyn h LYS 120 CO 0.01 0.25 -2.05 -2.37 -0.57 0.00 0.00 179.45 174.72 1wyn n THR 121 N -4.35 1.44 -0.16 -0.16 5.66 -1.08 -4.37 114.28 111.26 1wyn n THR 121 Ca -0.01 -0.82 -0.03 0.00 -3.05 0.00 0.00 64.05 60.13 1wyn n THR 121 Cb 0.22 -0.70 0.03 0.00 -1.55 0.00 0.00 70.33 68.32 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 -0.04 -0.33 1.09 1.79 -1.22 -2.40 116.57 115.46 1wyn h LYS 122 Ca -0.41 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.11 1wyn h LYS 122 Cb 2.09 0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 32.67 1wyn h LYS 122 CO 0.05 -0.03 -0.51 0.78 -1.08 0.00 0.00 179.45 178.66 1wyn h GLY 123 N -0.04 -0.88 -7.36 3.86 0.00 -1.74 -3.32 103.07 93.58 1wyn h GLY 123 Ca 0.24 0.65 -0.50 0.00 0.00 0.00 0.00 47.33 47.72 1wyn h GLY 123 CO -0.53 -0.16 1.19 0.48 0.00 0.00 0.00 176.54 177.52 1wyn s LEU 124 N -10.38 3.25 -0.38 3.11 2.34 -0.90 -4.96 118.68 110.76 1wyn s LEU 124 Ca -0.15 -0.28 -0.18 0.00 0.06 0.00 0.00 54.13 53.58 1wyn s LEU 124 Cb 0.09 -2.55 0.01 0.00 -0.56 0.00 0.00 46.19 43.18 1wyn s LEU 124 CO 0.63 -2.14 0.50 -1.10 -1.06 0.00 0.00 176.35 173.18 1wyn s GLN 125 N 6.34 3.44 0.00 1.48 -0.21 -1.25 -4.95 119.66 124.52 1wyn s GLN 125 Ca 0.54 -0.35 -0.03 0.00 0.02 0.00 0.00 55.36 55.53 1wyn s GLN 125 Cb -0.09 -3.87 -0.14 0.00 1.00 0.00 0.00 33.01 29.91 1wyn s GLN 125 CO 0.12 -0.74 2.74 0.43 -2.12 0.00 0.00 175.29 175.73 1wyn n SER 126 N 5.77 4.89 0.00 5.90 7.64 -1.26 -4.77 113.62 131.79 1wyn n SER 126 Ca -0.05 -2.36 0.00 0.00 1.01 0.00 0.00 58.87 57.47 1wyn n SER 126 Cb 0.48 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 1wyn n SER 126 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wyn n GLY 127 N 2.12 5.67 3.82 0.23 0.00 -1.26 -5.14 105.19 110.63 1wyn n GLY 127 Ca 0.23 -1.59 -0.36 0.00 0.00 0.00 0.00 46.02 44.30 1wyn n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wyn s VAL 128 N 1.11 5.41 0.21 1.61 0.11 -1.26 -5.07 120.40 122.51 1wyn s VAL 128 Ca 0.00 0.18 -0.30 0.00 -2.93 0.00 0.00 61.98 58.93 1wyn s VAL 128 Cb 0.00 -3.39 -0.09 0.00 -1.53 0.00 0.00 36.38 31.37 1wyn s VAL 128 CO 0.00 0.56 1.27 -1.81 -3.33 0.00 0.00 175.10 171.79 1wyn s ASP 129 N -0.56 6.96 0.11 3.54 1.01 -1.26 -4.95 116.67 121.52 1wyn s ASP 129 Ca 0.12 2.37 -0.26 0.00 0.71 0.00 0.00 52.55 55.50 1wyn s ASP 129 Cb -0.12 -2.61 -0.07 0.00 1.01 0.00 0.00 42.92 41.13 1wyn s ASP 129 CO 0.02 -0.46 1.65 0.40 0.21 0.00 0.00 175.17 176.99 1wyn h ILE 130 N 3.65 0.50 0.00 0.77 5.03 -2.04 -3.47 117.51 121.95 1wyn h ILE 130 Ca -0.45 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.29 1wyn h ILE 130 Cb 1.22 0.50 0.00 0.00 -3.03 0.00 0.00 36.82 35.50 1wyn h ILE 130 CO 0.75 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 178.83 1wyn n GLY 131 N -1.34 4.02 2.53 5.37 0.00 -1.26 -5.00 105.19 109.50 1wyn n GLY 131 Ca -0.06 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 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 0.00 3.13 -0.01 1.61 0.31 -1.26 -3.99 118.33 118.12 1wyn n VAL 132 Ca 0.00 -1.93 -0.04 0.00 -0.01 0.00 0.00 64.34 62.37 1wyn n VAL 132 Cb 0.00 -2.34 -0.01 0.00 -0.91 0.00 0.00 33.84 30.58 1wyn n VAL 132 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1wyn n LYS 133 N 4.19 0.08 -0.33 5.55 3.00 -1.26 -4.73 118.16 124.66 1wyn n LYS 133 Ca 0.58 0.03 0.17 0.00 -0.00 0.00 0.00 58.31 59.09 1wyn n LYS 133 Cb 0.19 -0.64 0.34 0.00 0.00 0.00 0.00 35.03 34.92 1wyn n LYS 133 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.40 179.88 1wyn n TYR 134 N -3.25 0.71 -3.78 5.64 4.11 -1.26 -4.39 117.16 114.95 1wyn n TYR 134 Ca -0.07 1.17 -0.13 0.00 -0.00 0.00 0.00 57.90 58.87 1wyn n TYR 134 Cb 0.47 -1.29 -0.13 0.00 -0.00 0.00 0.00 39.34 38.40 1wyn n TYR 134 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1wyn s SER 135 N -4.92 -0.21 -0.02 9.48 0.15 -1.26 -5.14 113.70 111.77 1wyn s SER 135 Ca -0.12 0.43 -0.24 0.00 0.70 0.00 0.00 55.95 56.72 1wyn s SER 135 Cb 0.29 0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 64.95 1wyn s SER 135 CO 0.76 -0.10 0.72 -1.61 1.20 0.00 0.00 173.24 174.20 1wyn s GLU 136 N 0.51 4.44 0.20 5.44 2.02 -1.26 -4.89 118.70 125.16 1wyn s GLU 136 Ca -0.03 0.94 -0.20 0.00 0.02 0.00 0.00 54.97 55.69 1wyn s GLU 136 Cb -0.05 -3.41 0.15 0.00 0.10 0.00 0.00 34.13 30.92 1wyn s GLU 136 CO -0.03 0.17 1.57 -0.22 0.02 0.00 0.00 175.26 176.78 1wyn h LYS 137 N 6.28 -0.11 0.00 1.61 3.64 -1.98 -2.45 116.57 123.55 1wyn h LYS 137 Ca -0.42 0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 58.76 1wyn h LYS 137 Cb 1.20 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 33.01 1wyn h LYS 137 CO 0.73 -0.08 -1.98 0.00 -2.27 0.00 0.00 179.45 175.86 1wyn n GLN 138 N -5.44 0.66 -4.18 1.90 0.00 -1.26 -4.99 117.38 104.07 1wyn n GLN 138 Ca 0.06 0.02 -0.29 0.00 0.00 0.00 0.00 57.00 56.78 1wyn n GLN 138 Cb 0.37 -1.61 -0.07 0.00 0.00 0.00 0.00 30.24 28.93 1wyn n GLN 138 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1wyn n GLU 139 N -2.67 -1.96 -3.95 2.61 4.07 -0.93 -0.38 120.64 117.44 1wyn n GLU 139 Ca -0.18 0.23 -0.29 0.00 -0.06 0.00 0.00 57.16 56.86 1wyn n GLU 139 Cb 0.90 -4.06 -0.07 0.00 -0.06 0.00 0.00 31.44 28.15 1wyn n GLU 139 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1wyn n ARG 140 N -4.49 -0.87 0.02 5.31 5.12 -1.26 -4.80 116.66 115.69 1wyn n ARG 140 Ca -0.29 0.09 -0.21 0.00 -1.93 0.00 0.00 57.85 55.51 1wyn n ARG 140 Cb 0.68 -3.26 -0.14 0.00 -1.16 0.00 0.00 32.46 28.58 1wyn n ARG 140 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1wyn h SER 141 N -1.01 0.39 0.00 0.55 0.87 -1.12 -3.48 113.55 109.75 1wyn h SER 141 Ca -0.51 -0.87 0.00 0.00 -1.23 0.00 0.00 61.79 59.18 1wyn h SER 141 Cb 1.12 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 1wyn h SER 141 CO 0.63 1.54 0.00 0.61 -0.53 0.00 0.00 176.83 179.09 1wyn n GLY 142 N 1.71 1.48 3.67 5.77 0.00 -1.26 -5.00 105.19 111.56 1wyn n GLY 142 Ca -0.22 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 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 2.73 4.22 0.33 1.61 0.04 -1.26 -5.00 135.00 137.67 1wyn s PRO 143 Ca 0.00 2.01 0.04 0.00 0.04 0.00 0.00 61.00 63.10 1wyn s PRO 143 Cb 0.00 -3.80 -0.03 0.00 0.04 0.00 0.00 34.50 30.70 1wyn s PRO 143 CO 0.00 -0.74 0.19 -1.54 0.04 0.00 0.00 177.00 174.96 1wyn s SER 144 N 2.58 1.74 -1.43 6.66 1.04 -1.26 -4.88 113.70 118.15 1wyn s SER 144 Ca 0.66 -1.64 -0.09 0.00 0.48 0.00 0.00 55.95 55.36 1wyn s SER 144 Cb -0.30 0.47 0.05 0.00 0.10 0.00 0.00 66.02 66.34 1wyn s SER 144 CO 0.25 -0.96 0.98 -1.20 0.98 0.00 0.00 173.24 173.30 1wyn n SER 145 N -1.18 -4.34 0.00 7.02 7.64 -1.26 -5.21 113.62 116.29 1wyn n SER 145 Ca 0.02 -0.72 0.00 0.00 1.01 0.00 0.00 58.87 59.18 1wyn n SER 145 Cb 0.64 -4.25 0.00 0.00 -1.01 0.00 0.00 64.21 59.59 1wyn n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64