#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 5.88 -0.38 1.61 1.04 -1.26 -5.04 113.70 115.55 1wyn s SER 2 Ca 0.00 0.01 0.05 0.00 0.48 0.00 0.00 55.95 56.49 1wyn s SER 2 Cb 0.00 -1.65 0.45 0.00 0.10 0.00 0.00 66.02 64.92 1wyn s SER 2 CO 0.00 0.07 1.30 -0.24 0.98 0.00 0.00 173.24 175.34 1wyn n SER 3 N -0.40 5.29 0.18 7.02 2.88 -1.26 -4.63 113.62 122.70 1wyn n SER 3 Ca -0.08 -3.75 0.00 0.00 -1.33 0.00 0.00 58.87 53.71 1wyn n SER 3 Cb 0.54 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 1wyn n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wyn n GLY 4 N -0.68 -1.68 0.17 0.46 0.00 -1.26 -4.99 105.19 97.22 1wyn n GLY 4 Ca 0.45 0.41 -0.13 0.00 0.00 0.00 0.00 46.02 46.75 1wyn n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wyn h SER 5 N 0.00 -0.34 -3.09 1.61 0.87 -1.89 -3.39 113.55 107.31 1wyn h SER 5 Ca 0.00 0.03 -0.53 0.00 -1.23 0.00 0.00 61.79 60.07 1wyn h SER 5 Cb 0.00 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1wyn h SER 5 CO 0.00 -0.20 -0.21 -0.44 -0.53 0.00 0.00 176.83 175.45 1wyn s SER 6 N -4.94 6.43 0.00 6.23 0.01 -1.26 -4.70 113.70 115.47 1wyn s SER 6 Ca -0.15 0.62 0.00 0.00 1.31 0.00 0.00 55.95 57.73 1wyn s SER 6 Cb 0.06 -2.10 0.00 0.00 0.21 0.00 0.00 66.02 64.19 1wyn s SER 6 CO 0.65 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.78 1wyn n GLY 7 N -0.79 1.67 3.55 3.44 0.00 -1.26 -4.76 105.19 107.04 1wyn n GLY 7 Ca -0.03 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 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 -4.00 4.44 -0.05 1.61 2.47 -1.26 -4.91 114.94 113.25 1wyn s ASN 8 Ca 0.00 0.94 -0.00 0.00 0.42 0.00 0.00 52.86 54.22 1wyn s ASN 8 Cb 0.00 -2.51 0.03 0.00 -1.45 0.00 0.00 41.25 37.32 1wyn s ASN 8 CO 0.00 -2.93 -0.00 -0.13 -3.72 0.00 0.00 177.10 170.32 1wyn s ARG 9 N 8.24 0.47 -0.32 0.43 1.81 -1.26 -4.85 118.95 123.46 1wyn s ARG 9 Ca 0.95 0.08 0.03 0.00 -1.72 0.00 0.00 55.73 55.08 1wyn s ARG 9 Cb -0.16 -0.72 0.09 0.00 -0.45 0.00 0.00 34.95 33.71 1wyn s ARG 9 CO 0.24 -0.20 0.03 -0.51 -0.68 0.00 0.00 175.30 174.18 1wyn s LEU 10 N 1.45 4.19 -0.08 2.53 1.43 -1.26 -5.08 118.68 121.86 1wyn s LEU 10 Ca -0.03 -1.95 -0.03 0.00 -1.03 0.00 0.00 54.13 51.08 1wyn s LEU 10 Cb -0.13 -1.50 0.04 0.00 0.03 0.00 0.00 46.19 44.63 1wyn s LEU 10 CO -0.03 -0.35 0.17 -1.48 0.23 0.00 0.00 176.35 174.89 1wyn s LEU 11 N 1.04 0.49 -0.29 1.79 2.34 -1.26 -5.14 118.68 117.64 1wyn s LEU 11 Ca 0.08 0.36 -0.24 0.00 0.06 0.00 0.00 54.13 54.39 1wyn s LEU 11 Cb -0.19 0.43 0.17 0.00 -0.56 0.00 0.00 46.19 46.05 1wyn s LEU 11 CO -0.10 -0.17 1.29 -0.94 -1.06 0.00 0.00 176.35 175.37 1wyn s SER 12 N 1.42 -0.19 0.32 1.48 1.04 -1.26 -5.19 113.70 111.33 1wyn s SER 12 Ca -0.07 0.35 -0.18 0.00 0.48 0.00 0.00 55.95 56.53 1wyn s SER 12 Cb -0.11 0.45 0.06 0.00 0.10 0.00 0.00 66.02 66.52 1wyn s SER 12 CO -0.07 -0.06 0.86 -1.59 0.98 0.00 0.00 173.24 173.37 1wyn s LYS 13 N 0.23 1.94 0.36 4.02 0.00 -1.26 -5.07 119.74 119.96 1wyn s LYS 13 Ca 0.04 -1.24 -0.24 0.00 0.00 0.00 0.00 55.97 54.52 1wyn s LYS 13 Cb -0.05 0.55 -0.14 0.00 0.00 0.00 0.00 37.83 38.19 1wyn s LYS 13 CO -0.13 -0.91 0.63 0.98 0.00 0.00 0.00 175.35 175.92 1wyn n TYR 14 N -0.58 -0.17 -3.62 1.78 4.19 -1.26 -4.99 117.16 112.51 1wyn n TYR 14 Ca -0.07 0.69 -0.12 0.00 3.31 0.00 0.00 57.90 61.71 1wyn n TYR 14 Cb 0.60 -2.03 -0.07 0.00 0.49 0.00 0.00 39.34 38.32 1wyn n TYR 14 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 1wyn s ASP 15 N -0.87 -0.59 0.00 2.98 2.15 -1.26 -5.02 116.67 114.05 1wyn s ASP 15 Ca 0.62 1.09 0.14 0.00 0.43 0.00 0.00 52.55 54.84 1wyn s ASP 15 Cb -0.68 1.09 0.64 0.00 -0.30 0.00 0.00 42.92 43.67 1wyn s ASP 15 CO 0.58 -0.24 1.44 -0.81 -0.17 0.00 0.00 175.17 175.98 1wyn n PRO 16 N 2.26 0.05 -0.10 4.34 -0.04 -1.26 -2.65 135.00 137.60 1wyn n PRO 16 Ca -0.13 0.23 -0.17 0.00 -0.04 0.00 0.00 63.50 63.39 1wyn n PRO 16 Cb 0.56 -1.50 -0.13 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 -1.45 0.68 -0.01 0.54 10.64 -1.26 -4.50 117.38 122.02 1wyn n GLN 17 Ca 0.04 0.15 -0.12 0.00 -1.83 0.00 0.00 57.00 55.24 1wyn n GLN 17 Cb 0.15 -1.57 -0.08 0.00 -0.86 0.00 0.00 30.24 27.89 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 0.07 -1.69 2.61 1.79 -1.91 -2.84 116.57 114.61 1wyn h LYS 18 Ca -0.53 -0.02 0.52 0.00 -2.18 0.00 0.00 60.65 58.44 1wyn h LYS 18 Cb 1.99 -0.01 -0.11 0.00 -1.58 0.00 0.00 32.23 32.53 1wyn h LYS 18 CO -0.03 0.34 1.17 1.49 -1.08 0.00 0.00 179.45 181.34 1wyn h GLU 19 N -0.20 0.01 0.15 3.15 4.81 -1.73 1.65 114.58 122.41 1wyn h GLU 19 Ca 0.01 -0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.94 1wyn h GLU 19 Cb 0.31 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1wyn h GLU 19 CO 0.00 0.00 -1.47 0.00 -0.73 0.00 0.00 179.01 176.82 1wyn h ALA 20 N 1.29 0.15 -0.64 2.92 0.00 -1.74 -3.18 119.26 118.06 1wyn h ALA 20 Ca 0.91 -1.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1wyn h ALA 20 Cb 3.32 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 21.28 1wyn h ALA 20 CO -0.22 1.02 0.34 0.93 0.00 0.00 0.00 179.25 181.33 1wyn h GLU 21 N 0.09 0.89 0.41 0.00 5.08 0.26 -0.44 114.58 120.87 1wyn h GLU 21 Ca -0.22 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.01 1wyn h GLU 21 Cb 2.04 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 31.12 1wyn h GLU 21 CO 0.19 0.68 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.61 1wyn h LEU 22 N 0.87 -0.47 -1.12 1.33 3.38 -1.27 -1.24 115.31 116.78 1wyn h LEU 22 Ca 0.22 0.02 0.24 0.00 0.09 0.00 0.00 57.88 58.45 1wyn h LEU 22 Cb 0.05 0.12 -0.11 0.00 0.09 0.00 0.00 40.66 40.81 1wyn h LEU 22 CO -0.03 -0.29 0.62 0.08 0.09 0.00 0.00 178.44 178.90 1wyn h ARG 23 N -0.64 0.54 0.00 1.13 0.11 -1.58 0.89 114.38 114.83 1wyn h ARG 23 Ca -0.06 -0.03 -0.04 0.00 0.10 0.00 0.00 59.98 59.95 1wyn h ARG 23 Cb 0.43 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 31.38 1wyn h ARG 23 CO 0.09 0.36 -0.21 1.15 0.10 0.00 0.00 179.97 181.46 1wyn h THR 24 N 0.56 0.65 0.02 0.08 2.02 -1.00 0.36 112.91 115.60 1wyn h THR 24 Ca 0.61 -0.95 -0.31 0.00 0.77 0.00 0.00 66.41 66.54 1wyn h THR 24 Cb 1.24 1.61 -0.05 0.00 -1.74 0.00 0.00 68.15 69.22 1wyn h THR 24 CO -0.40 0.21 -1.78 1.87 0.37 0.00 0.00 175.52 175.79 1wyn n TRP 25 N -3.55 1.01 -0.08 3.16 -0.00 0.26 -3.97 117.44 114.27 1wyn n TRP 25 Ca -0.01 0.33 -0.15 0.00 -0.00 0.00 0.00 57.50 57.68 1wyn n TRP 25 Cb 0.36 -1.18 -0.12 0.00 -0.00 0.00 0.00 31.31 30.38 1wyn n TRP 25 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 177.69 178.51 1wyn h ILE 26 N 0.01 1.44 -1.00 5.87 2.04 -0.04 -3.04 117.51 122.80 1wyn h ILE 26 Ca -0.32 -2.21 0.29 0.00 1.00 0.00 0.00 64.86 63.63 1wyn h ILE 26 Cb 2.02 2.85 -0.14 0.00 -0.74 0.00 0.00 36.82 40.82 1wyn h ILE 26 CO 0.08 0.49 0.58 -0.33 0.00 0.00 0.00 178.15 178.96 1wyn h GLU 27 N -1.00 0.41 0.01 2.37 4.39 -0.49 0.42 114.58 120.70 1wyn h GLU 27 Ca -0.09 -0.02 -0.20 0.00 0.34 0.00 0.00 59.36 59.39 1wyn h GLU 27 Cb 1.01 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.55 1wyn h GLU 27 CO -0.05 0.27 -0.91 0.78 -1.16 0.00 0.00 179.01 177.94 1wyn h GLY 28 N 0.43 0.19 0.67 -3.84 0.00 -1.69 0.40 103.07 99.22 1wyn h GLY 28 Ca 0.70 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 47.64 1wyn h GLY 28 CO -0.55 0.31 -0.32 1.41 0.00 0.00 0.00 176.54 177.38 1wyn h LEU 29 N 0.08 -0.77 0.03 3.11 3.38 -0.11 -3.31 115.31 117.72 1wyn h LEU 29 Ca -0.04 0.03 -0.23 0.00 0.09 0.00 0.00 57.88 57.73 1wyn h LEU 29 Cb 1.56 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.48 1wyn h LEU 29 CO 0.14 -0.42 -1.07 0.71 0.09 0.00 0.00 178.44 177.89 1wyn h THR 30 N -1.17 1.65 0.00 0.22 1.35 -1.29 -3.48 112.91 110.20 1wyn h THR 30 Ca -0.09 -3.34 0.00 0.00 -0.55 0.00 0.00 66.41 62.43 1wyn h THR 30 Cb 0.69 2.86 0.00 0.00 -1.73 0.00 0.00 68.15 69.97 1wyn h THR 30 CO 0.15 0.95 0.00 0.61 -0.25 0.00 0.00 175.52 176.98 1wyn n GLY 31 N 1.39 0.53 2.33 5.82 0.00 0.14 -5.05 105.19 110.35 1wyn n GLY 31 Ca -0.02 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 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 -4.14 0.99 4.77 -1.19 -4.99 117.00 112.44 1wyn n LEU 32 Ca 0.00 -1.42 -0.29 0.00 -0.03 0.00 0.00 56.01 54.26 1wyn n LEU 32 Cb 0.00 -0.29 -0.17 0.00 -2.33 0.00 0.00 43.42 40.63 1wyn n LEU 32 CO 0.00 -0.68 -0.52 -0.55 -1.33 0.00 0.00 177.39 174.31 1wyn s SER 33 N -3.23 2.57 0.06 -1.43 0.15 -1.26 -4.69 113.70 105.88 1wyn s SER 33 Ca 0.37 -0.46 -0.13 0.00 0.70 0.00 0.00 55.95 56.44 1wyn s SER 33 Cb -0.03 -1.17 -0.27 0.00 -1.71 0.00 0.00 66.02 62.84 1wyn s SER 33 CO 0.24 0.11 1.12 0.40 1.20 0.00 0.00 173.24 176.32 1wyn h ILE 34 N 5.79 1.31 0.00 6.45 2.04 -1.92 -3.49 117.51 127.68 1wyn h ILE 34 Ca -0.24 -2.50 0.00 0.00 1.00 0.00 0.00 64.86 63.12 1wyn h ILE 34 Cb 1.22 2.68 0.00 0.00 -0.74 0.00 0.00 36.82 39.98 1wyn h ILE 34 CO 0.47 0.76 0.00 0.61 0.00 0.00 0.00 178.15 179.99 1wyn n GLY 35 N 1.35 -1.71 0.00 5.37 0.00 -1.26 -3.85 105.19 105.09 1wyn n GLY 35 Ca -0.13 -2.18 0.08 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.20 0.39 -3.85 1.61 -0.04 -1.26 -4.64 135.00 127.01 1wyn n PRO 36 Ca 0.00 0.05 -0.12 0.00 -0.04 0.00 0.00 63.50 63.38 1wyn n PRO 36 Cb 0.00 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.82 1wyn n PRO 36 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wyn s ASP 37 N -2.19 -0.01 -0.06 3.54 1.01 -1.26 -5.08 116.67 112.62 1wyn s ASP 37 Ca 0.20 0.04 -0.01 0.00 0.71 0.00 0.00 52.55 53.50 1wyn s ASP 37 Cb 0.10 0.03 -0.00 0.00 1.01 0.00 0.00 42.92 44.06 1wyn s ASP 37 CO 0.20 -0.02 -0.02 0.15 0.21 0.00 0.00 175.17 175.68 1wyn h PHE 38 N 6.29 0.00 -0.89 4.23 3.57 -1.88 -2.60 116.94 125.66 1wyn h PHE 38 Ca -0.27 0.00 0.24 0.00 3.53 0.00 0.00 57.97 61.47 1wyn h PHE 38 Cb 1.20 0.00 -0.15 0.00 2.79 0.00 0.00 35.95 39.78 1wyn h PHE 38 CO 0.42 0.00 0.12 0.37 -2.23 0.00 0.00 178.31 177.00 1wyn h GLN 39 N -0.56 0.11 0.00 1.11 -0.00 -1.97 -0.37 115.11 113.43 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 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.50 1wyn h GLN 39 CO 0.00 0.07 0.00 1.63 0.00 0.00 0.00 178.83 180.53 1wyn n LYS 40 N -5.34 0.00 -0.25 1.69 5.02 -1.26 0.12 118.16 118.14 1wyn n LYS 40 Ca 0.21 0.43 0.24 0.00 -2.02 0.00 0.00 58.31 57.17 1wyn n LYS 40 Cb 0.68 -1.22 0.44 0.00 -0.02 0.00 0.00 35.03 34.91 1wyn n LYS 40 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wyn n GLY 41 N 0.32 -0.56 0.12 0.72 0.00 -0.98 0.20 105.19 105.01 1wyn n GLY 41 Ca 0.00 0.59 -0.17 0.00 0.00 0.00 0.00 46.02 46.44 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 0.32 -0.13 0.99 3.38 -1.10 -3.40 115.31 115.37 1wyn h LEU 42 Ca 0.62 -0.58 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1wyn h LEU 42 Cb 1.70 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.33 1wyn h LEU 42 CO -0.53 1.51 -0.08 1.17 0.09 0.00 0.00 178.44 180.60 1wyn n LYS 43 N -3.38 -0.06 -0.33 1.13 4.81 0.52 0.14 118.16 121.00 1wyn n LYS 43 Ca -0.22 0.80 0.24 0.00 -0.87 0.00 0.00 58.31 58.25 1wyn n LYS 43 Cb 1.05 -1.19 0.45 0.00 0.02 0.00 0.00 35.03 35.36 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 0.03 -0.32 3.14 3.04 -1.75 -3.44 116.42 117.12 1wyn h ASP 44 Ca 0.02 0.26 0.00 0.00 -3.24 0.00 0.00 57.03 54.07 1wyn h ASP 44 Cb 0.05 0.34 0.00 0.00 -1.04 0.00 0.00 39.33 38.68 1wyn h ASP 44 CO -0.12 -0.36 0.00 0.61 -2.04 0.00 0.00 179.24 177.33 1wyn n GLY 45 N -1.36 1.06 0.11 7.15 0.00 0.38 -4.41 105.19 108.13 1wyn n GLY 45 Ca 0.31 -0.33 -0.21 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 0.98 0.00 2.61 1.35 -1.79 -3.37 112.91 112.69 1wyn h THR 46 Ca 0.00 -2.27 -0.01 0.00 -0.55 0.00 0.00 66.41 63.58 1wyn h THR 46 Cb 0.44 2.49 -0.00 0.00 -1.73 0.00 0.00 68.15 69.35 1wyn h THR 46 CO 0.00 0.52 -0.09 0.40 -0.25 0.00 0.00 175.52 176.11 1wyn h ILE 47 N -0.67 0.58 -0.97 6.82 2.04 -1.89 -3.26 117.51 120.17 1wyn h ILE 47 Ca -0.32 -1.46 0.34 0.00 1.00 0.00 0.00 64.86 64.43 1wyn h ILE 47 Cb 1.50 1.12 -0.10 0.00 -0.74 0.00 0.00 36.82 38.59 1wyn h ILE 47 CO -0.08 0.20 0.61 0.18 0.00 0.00 0.00 178.15 179.06 1wyn n LEU 48 N -4.70 0.16 0.08 1.44 4.77 -1.26 0.12 117.00 117.61 1wyn n LEU 48 Ca -0.05 1.03 -0.10 0.00 -0.03 0.00 0.00 56.01 56.85 1wyn n LEU 48 Cb 0.19 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 40.71 1wyn n LEU 48 CO 0.12 -1.12 0.37 0.00 -1.33 0.00 0.00 177.39 175.43 1wyn h THR 50 N -0.90 0.84 -0.28 0.00 1.35 0.81 -1.40 112.91 113.33 1wyn h THR 50 Ca -0.03 -0.22 0.03 0.00 -0.55 0.00 0.00 66.41 65.64 1wyn h THR 50 Cb 0.50 0.13 -0.03 0.00 -1.73 0.00 0.00 68.15 67.02 1wyn h THR 50 CO 0.05 0.12 0.10 0.25 -0.25 0.00 0.00 175.52 175.78 1wyn h LEU 51 N 0.65 0.10 -0.74 3.87 5.85 -0.96 -1.98 115.31 122.11 1wyn h LEU 51 Ca 0.43 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 59.13 1wyn h LEU 51 Cb 0.72 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 1wyn h LEU 51 CO -0.19 0.09 0.26 -0.03 -0.34 0.00 0.00 178.44 178.23 1wyn h MET 52 N 0.22 1.13 -0.96 1.25 4.05 -1.23 -2.68 114.93 116.71 1wyn h MET 52 Ca 0.12 -0.23 0.08 0.00 -0.28 0.00 0.00 59.70 59.40 1wyn h MET 52 Cb 0.09 -0.17 -0.07 0.00 -0.80 0.00 0.00 31.60 30.65 1wyn h MET 52 CO -0.13 0.95 0.61 -0.91 0.23 0.00 0.00 176.91 177.66 1wyn h ASN 53 N 1.08 0.94 -0.28 1.39 2.35 -0.88 0.28 115.58 120.45 1wyn h ASN 53 Ca 0.24 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 56.00 1wyn h ASN 53 Cb 0.27 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1wyn h ASN 53 CO -0.01 0.57 0.13 0.11 -1.65 0.00 0.00 177.43 176.58 1wyn h LYS 54 N 1.06 0.41 -0.46 0.81 1.79 -1.04 -2.96 116.57 116.18 1wyn h LYS 54 Ca 0.44 -0.06 -0.13 0.00 -2.18 0.00 0.00 60.65 58.71 1wyn h LYS 54 Cb 0.28 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 1wyn h LYS 54 CO -0.21 0.40 -0.24 -0.07 -1.08 0.00 0.00 179.45 178.26 1wyn h LEU 55 N 0.32 0.98 -7.98 2.94 3.38 -1.20 -3.42 115.31 110.33 1wyn h LEU 55 Ca 0.10 -0.38 -0.56 0.00 0.09 0.00 0.00 57.88 57.13 1wyn h LEU 55 Cb 0.13 -0.27 -0.34 0.00 0.09 0.00 0.00 40.66 40.27 1wyn h LEU 55 CO -0.01 1.16 -0.83 -1.58 0.09 0.00 0.00 178.44 177.27 1wyn s GLN 56 N -4.63 2.02 0.00 1.13 0.74 0.91 -5.00 119.66 114.84 1wyn s GLN 56 Ca -0.11 -0.50 0.10 0.00 0.05 0.00 0.00 55.36 54.91 1wyn s GLN 56 Cb 0.12 -1.73 0.60 0.00 1.10 0.00 0.00 33.01 33.10 1wyn s GLN 56 CO 0.87 -0.05 1.04 -0.35 -0.55 0.00 0.00 175.29 176.24 1wyn n PRO 57 N 4.15 0.49 -2.86 1.67 -0.04 -1.23 -3.48 135.00 133.70 1wyn n PRO 57 Ca -0.19 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.15 1wyn n PRO 57 Cb 0.51 -1.32 0.05 0.00 -0.04 0.00 0.00 33.50 32.70 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 0.48 0.55 0.00 -1.26 -5.00 105.19 101.53 1wyn n GLY 58 Ca 0.08 -0.56 -0.02 0.00 0.00 0.00 0.00 46.02 45.52 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 0.23 0.66 -4.50 1.61 3.41 -1.23 -4.99 113.62 108.81 1wyn n SER 59 Ca 0.11 0.10 -0.37 0.00 -0.26 0.00 0.00 58.87 58.45 1wyn n SER 59 Cb 0.71 -0.40 -0.12 0.00 -0.26 0.00 0.00 64.21 64.14 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 -1.63 4.75 -0.02 -3.33 1.01 -1.26 -4.76 120.40 115.15 1wyn s VAL 60 Ca -0.07 -0.07 -0.25 0.00 0.00 0.00 0.00 61.98 61.60 1wyn s VAL 60 Cb 0.01 -3.27 -0.19 0.00 0.00 0.00 0.00 36.38 32.93 1wyn s VAL 60 CO 0.10 0.27 1.21 1.55 0.00 0.00 0.00 175.10 178.23 1wyn h PRO 61 N 8.31 -0.08 -3.73 2.72 0.13 -1.98 -3.48 132.00 133.89 1wyn h PRO 61 Ca -0.36 0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 64.68 1wyn h PRO 61 Cb 1.18 0.02 -0.15 0.00 0.13 0.00 0.00 31.00 32.18 1wyn h PRO 61 CO 0.57 0.37 -0.37 0.21 -0.23 0.00 0.00 178.00 178.56 1wyn s LYS 62 N -4.21 0.81 -0.10 0.86 2.20 -1.26 -5.16 119.74 112.89 1wyn s LYS 62 Ca -0.15 -0.87 0.04 0.00 -0.36 0.00 0.00 55.97 54.63 1wyn s LYS 62 Cb 0.02 0.33 0.00 0.00 -1.51 0.00 0.00 37.83 36.67 1wyn s LYS 62 CO 0.63 -0.25 -0.22 0.42 -0.36 0.00 0.00 175.35 175.57 1wyn s ILE 63 N -3.53 1.90 -0.80 5.43 1.01 -1.26 -4.94 121.20 119.00 1wyn s ILE 63 Ca 0.02 -0.92 -0.19 0.00 0.00 0.00 0.00 60.65 59.56 1wyn s ILE 63 Cb 0.03 -1.65 0.12 0.00 0.01 0.00 0.00 42.46 40.97 1wyn s ILE 63 CO -0.09 0.52 0.98 0.20 0.00 0.00 0.00 174.94 176.55 1wyn s ASN 64 N 0.43 6.47 -0.45 3.58 0.01 -1.26 -4.89 114.94 118.82 1wyn s ASN 64 Ca -0.17 -1.78 -0.02 0.00 -0.71 0.00 0.00 52.86 50.18 1wyn s ASN 64 Cb -0.17 -2.37 0.24 0.00 0.41 0.00 0.00 41.25 39.36 1wyn s ASN 64 CO 0.07 -1.10 2.18 0.54 -1.51 0.00 0.00 177.10 177.28 1wyn n ARG 65 N 6.50 2.17 -3.49 -0.60 1.74 -1.26 -4.34 116.66 117.39 1wyn n ARG 65 Ca 0.11 -2.21 -0.22 0.00 -0.77 0.00 0.00 57.85 54.75 1wyn n ARG 65 Cb 0.47 -1.91 0.01 0.00 -1.02 0.00 0.00 32.46 30.01 1wyn n ARG 65 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wyn s SER 66 N -0.30 4.94 0.21 0.55 0.15 -1.26 -5.03 113.70 112.96 1wyn s SER 66 Ca 0.45 -0.95 0.14 0.00 0.70 0.00 0.00 55.95 56.29 1wyn s SER 66 Cb 0.34 0.08 -0.02 0.00 -1.71 0.00 0.00 66.02 64.71 1wyn s SER 66 CO -0.07 -1.05 1.30 0.24 1.20 0.00 0.00 173.24 174.85 1wyn h MET 67 N 0.63 0.00 -6.12 5.44 2.86 -2.02 -3.43 114.93 112.29 1wyn h MET 67 Ca -0.36 0.00 -0.76 0.00 -2.06 0.00 0.00 59.70 56.52 1wyn h MET 67 Cb 1.29 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.97 1wyn h MET 67 CO 0.51 0.55 0.73 1.04 1.06 0.00 0.00 176.91 180.80 1wyn n GLN 68 N -3.19 0.84 0.07 1.72 3.00 -1.26 -4.85 117.38 113.71 1wyn n GLN 68 Ca -0.01 0.31 -0.11 0.00 -0.01 0.00 0.00 57.00 57.17 1wyn n GLN 68 Cb 0.79 -1.93 -0.05 0.00 0.00 0.00 0.00 30.24 29.05 1wyn n GLN 68 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 1wyn h ASN 69 N 6.06 -0.58 -0.82 1.08 4.21 -2.01 -2.05 115.58 121.47 1wyn h ASN 69 Ca -0.46 0.08 0.15 0.00 1.21 0.00 0.00 56.30 57.27 1wyn h ASN 69 Cb 1.34 0.24 -0.10 0.00 -1.12 0.00 0.00 38.32 38.68 1wyn h ASN 69 CO 0.92 -0.27 0.39 4.11 -1.29 0.00 0.00 177.43 181.29 1wyn h TRP 70 N -0.34 0.69 0.65 1.19 0.09 -1.99 -2.33 115.95 113.91 1wyn h TRP 70 Ca 0.05 0.04 -0.02 0.00 0.09 0.00 0.00 58.89 59.04 1wyn h TRP 70 Cb 0.40 -0.18 -0.01 0.00 0.08 0.00 0.00 29.16 29.45 1wyn h TRP 70 CO -0.23 0.13 -0.50 0.45 0.09 0.00 0.00 178.44 178.38 1wyn h HIS 71 N 0.56 -1.36 -0.76 0.12 3.86 -1.76 -2.19 115.15 113.62 1wyn h HIS 71 Ca 0.45 -0.00 0.15 0.00 -1.16 0.00 0.00 60.37 59.81 1wyn h HIS 71 Cb 0.67 0.51 -0.14 0.00 1.06 0.00 0.00 27.41 29.50 1wyn h HIS 71 CO -0.12 -0.71 -0.20 1.96 0.86 0.00 0.00 177.93 179.73 1wyn h GLN 72 N -1.11 -0.00 -0.13 2.45 7.50 -0.90 -0.32 115.11 122.60 1wyn h GLN 72 Ca -0.08 0.00 0.05 0.00 0.50 0.00 0.00 58.65 59.11 1wyn h GLN 72 Cb 0.93 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 28.40 1wyn h GLN 72 CO 0.02 -0.00 -0.28 -0.07 -1.50 0.00 0.00 178.83 177.00 1wyn h LEU 73 N -0.00 -0.87 -0.94 1.46 -0.00 -1.18 -1.98 115.31 111.80 1wyn h LEU 73 Ca 0.36 0.13 0.20 0.00 -0.00 0.00 0.00 57.88 58.58 1wyn h LEU 73 Cb 0.56 0.38 -0.18 0.00 -0.00 0.00 0.00 40.66 41.42 1wyn h LEU 73 CO -0.78 -0.33 -0.18 1.21 -0.00 0.00 0.00 178.44 178.36 1wyn n GLU 74 N -5.39 -0.08 -0.25 1.13 2.13 -0.14 -0.50 120.64 117.54 1wyn n GLU 74 Ca -0.03 1.45 -0.12 0.00 0.66 0.00 0.00 57.16 59.12 1wyn n GLU 74 Cb 0.31 -2.19 -0.10 0.00 0.27 0.00 0.00 31.44 29.72 1wyn n GLU 74 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1wyn h ASN 75 N 0.00 -1.95 -0.08 4.31 2.35 -1.23 0.13 115.58 119.11 1wyn h ASN 75 Ca 0.48 0.27 0.03 0.00 -0.55 0.00 0.00 56.30 56.53 1wyn h ASN 75 Cb 0.79 0.83 -0.03 0.00 0.05 0.00 0.00 38.32 39.96 1wyn h ASN 75 CO -0.95 -0.32 -0.09 -0.07 -1.65 0.00 0.00 177.43 174.35 1wyn h LEU 76 N -0.23 -0.27 -1.06 1.61 3.38 -0.86 0.94 115.31 118.83 1wyn h LEU 76 Ca 0.11 0.05 0.24 0.00 0.09 0.00 0.00 57.88 58.37 1wyn h LEU 76 Cb 0.51 0.13 -0.12 0.00 0.09 0.00 0.00 40.66 41.27 1wyn h LEU 76 CO -0.72 -0.12 0.61 0.28 0.09 0.00 0.00 178.44 178.57 1wyn h SER 77 N -0.11 0.66 0.08 -0.43 0.02 -0.46 0.20 113.55 113.51 1wyn h SER 77 Ca 0.06 0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1wyn h SER 77 Cb 0.20 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1wyn h SER 77 CO -0.15 0.13 -0.04 0.78 -1.14 0.00 0.00 176.83 176.41 1wyn h ASN 78 N 0.58 -0.09 -0.96 3.07 2.35 0.02 -2.98 115.58 117.57 1wyn h ASN 78 Ca 0.63 -0.52 0.19 0.00 -0.55 0.00 0.00 56.30 56.05 1wyn h ASN 78 Cb 1.22 0.02 -0.11 0.00 0.05 0.00 0.00 38.32 39.51 1wyn h ASN 78 CO -0.44 0.58 0.55 0.15 -1.65 0.00 0.00 177.43 176.62 1wyn h PHE 79 N -0.87 0.96 0.90 1.19 3.57 0.01 -0.94 116.94 121.77 1wyn h PHE 79 Ca -0.01 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 1wyn h PHE 79 Cb 0.60 -0.28 0.01 0.00 2.79 0.00 0.00 35.95 39.07 1wyn h PHE 79 CO 0.13 0.19 -0.43 0.82 -2.23 0.00 0.00 178.31 176.79 1wyn h ILE 80 N 0.69 0.00 -1.01 1.41 2.04 -0.71 -2.48 117.51 117.45 1wyn h ILE 80 Ca 0.55 -0.07 0.24 0.00 1.00 0.00 0.00 64.86 66.58 1wyn h ILE 80 Cb 0.87 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.85 1wyn h ILE 80 CO -0.40 0.00 0.63 0.11 0.00 0.00 0.00 178.15 178.50 1wyn h LYS 81 N -1.28 0.50 -0.88 2.37 1.79 -1.27 0.18 116.57 117.98 1wyn h LYS 81 Ca -0.12 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1wyn h LYS 81 Cb 0.92 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 31.42 1wyn h LYS 81 CO 0.20 0.33 0.54 0.00 -1.08 0.00 0.00 179.45 179.44 1wyn h ALA 82 N 1.64 1.12 -0.19 3.86 0.00 -0.98 -2.77 119.26 121.94 1wyn h ALA 82 Ca 0.58 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.41 1wyn h ALA 82 Cb 1.27 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1wyn h ALA 82 CO -0.32 0.56 0.10 0.52 0.00 0.00 0.00 179.25 180.11 1wyn h MET 83 N 1.20 0.21 -0.98 0.00 2.86 -0.19 -2.33 114.93 115.70 1wyn h MET 83 Ca 0.32 -0.01 0.22 0.00 -2.06 0.00 0.00 59.70 58.16 1wyn h MET 83 Cb -0.07 -0.05 -0.12 0.00 0.06 0.00 0.00 31.60 31.42 1wyn h MET 83 CO -0.06 0.14 0.56 0.28 1.06 0.00 0.00 176.91 178.88 1wyn h VAL 84 N 0.21 0.60 -0.58 -2.22 2.07 -1.25 0.98 116.25 116.07 1wyn h VAL 84 Ca 0.07 -0.21 -0.10 0.00 0.82 0.00 0.00 66.70 67.28 1wyn h VAL 84 Cb 0.01 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.68 1wyn h VAL 84 CO -0.04 0.11 -0.01 -1.28 0.02 0.00 0.00 177.57 176.37 1wyn h SER 85 N 0.62 1.01 -0.85 0.57 0.87 -1.32 -2.98 113.55 111.47 1wyn h SER 85 Ca 0.60 -0.31 0.18 0.00 -1.23 0.00 0.00 61.79 61.02 1wyn h SER 85 Cb 1.05 -0.27 -0.11 0.00 -0.44 0.00 0.00 62.40 62.63 1wyn h SER 85 CO -0.44 1.08 0.39 0.22 -0.53 0.00 0.00 176.83 177.55 1wyn h TYR 86 N 0.92 0.67 0.00 2.24 3.20 -0.39 -3.45 116.97 120.16 1wyn h TYR 86 Ca 0.16 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.07 1wyn h TYR 86 Cb 0.57 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.67 1wyn h TYR 86 CO 0.04 0.07 0.00 0.41 -1.64 0.00 0.00 178.16 177.04 1wyn n GLY 87 N -1.33 0.92 3.96 1.82 0.00 -1.11 -5.13 105.19 104.32 1wyn n GLY 87 Ca 0.19 0.00 -0.22 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 2.75 0.45 1.61 -1.94 -1.23 -5.07 119.30 115.86 1wyn s MET 88 Ca 0.00 -0.60 -0.07 0.00 -1.71 0.00 0.00 55.69 53.31 1wyn s MET 88 Cb 0.00 -2.49 -0.05 0.00 2.01 0.00 0.00 34.83 34.31 1wyn s MET 88 CO 0.00 -0.56 0.77 -0.80 -0.01 0.00 0.00 175.02 174.41 1wyn s ASN 89 N -4.34 6.35 0.00 3.03 -0.87 -1.26 -4.81 114.94 113.04 1wyn s ASN 89 Ca 0.54 0.98 0.15 0.00 -1.57 0.00 0.00 52.86 52.95 1wyn s ASN 89 Cb -0.10 -2.26 0.71 0.00 -0.02 0.00 0.00 41.25 39.57 1wyn s ASN 89 CO 0.39 -0.50 1.41 -0.81 -2.57 0.00 0.00 177.10 175.02 1wyn n PRO 90 N -1.88 0.16 -0.00 -0.60 -0.04 -1.26 -1.95 135.00 129.44 1wyn n PRO 90 Ca 0.01 0.17 0.09 0.00 -0.04 0.00 0.00 63.50 63.73 1wyn n PRO 90 Cb 0.55 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.33 0.00 -0.65 0.52 0.24 -1.26 -4.24 118.33 111.60 1wyn n VAL 91 Ca 0.06 -0.11 0.08 0.00 -2.04 0.00 0.00 64.34 62.33 1wyn n VAL 91 Cb 0.13 0.90 0.37 0.00 -1.47 0.00 0.00 33.84 33.76 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 -1.51 5.05 -4.91 -1.34 9.92 -0.82 -4.95 116.55 117.99 1wyn n ASP 92 Ca 0.03 -2.65 -0.23 0.00 -0.53 0.00 0.00 54.79 51.41 1wyn n ASP 92 Cb 0.31 -0.62 -0.00 0.00 -0.64 0.00 0.00 41.12 40.16 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 -2.19 3.00 -0.00 0.64 1.43 -1.25 -4.18 118.68 116.13 1wyn s LEU 93 Ca 0.51 -1.01 -0.08 0.00 -1.03 0.00 0.00 54.13 52.52 1wyn s LEU 93 Cb 0.36 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 45.03 1wyn s LEU 93 CO 0.20 -0.99 0.15 0.72 0.23 0.00 0.00 176.35 176.66 1wyn s PHE 94 N -2.65 0.02 0.67 0.29 -0.12 -1.26 -4.80 117.98 110.12 1wyn s PHE 94 Ca 0.43 -0.08 -0.11 0.00 -0.05 0.00 0.00 56.93 57.12 1wyn s PHE 94 Cb -0.03 -0.04 -0.01 0.00 -0.63 0.00 0.00 43.02 42.32 1wyn s PHE 94 CO 0.26 -0.28 1.06 -1.21 -0.05 0.00 0.00 175.22 175.01 1wyn s GLU 95 N -1.30 3.19 0.25 1.99 2.02 -1.26 -4.91 118.70 118.68 1wyn s GLU 95 Ca -0.14 0.63 -0.02 0.00 0.02 0.00 0.00 54.97 55.47 1wyn s GLU 95 Cb -0.07 -2.04 0.31 0.00 0.10 0.00 0.00 34.13 32.42 1wyn s GLU 95 CO 0.02 -0.84 1.72 0.00 0.02 0.00 0.00 175.26 176.18 1wyn h ALA 96 N -0.51 1.04 -0.51 5.21 0.00 -1.93 -2.94 119.26 119.62 1wyn h ALA 96 Ca -0.44 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.05 1wyn h ALA 96 Cb 1.22 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1wyn h ALA 96 CO 0.62 0.58 -0.13 -0.91 0.00 0.00 0.00 179.25 179.42 1wyn h ASN 97 N 0.67 0.97 -0.95 0.00 2.35 -1.97 -0.56 115.58 116.10 1wyn h ASN 97 Ca 0.12 -0.32 0.29 0.00 -0.55 0.00 0.00 56.30 55.83 1wyn h ASN 97 Cb 0.56 -0.26 -0.16 0.00 0.05 0.00 0.00 38.32 38.50 1wyn h ASN 97 CO 0.03 1.10 0.23 0.44 -1.65 0.00 0.00 177.43 177.58 1wyn h ASP 98 N 0.86 -0.10 0.01 5.81 3.32 -1.79 0.31 116.42 124.83 1wyn h ASP 98 Ca 0.13 0.24 -0.27 0.00 0.02 0.00 0.00 57.03 57.15 1wyn h ASP 98 Cb 0.68 0.34 -0.04 0.00 0.22 0.00 0.00 39.33 40.54 1wyn h ASP 98 CO 0.05 -0.28 -1.45 -0.11 -1.72 0.00 0.00 179.24 175.72 1wyn n LEU 99 N -5.32 1.91 0.00 1.55 7.94 -1.16 -0.17 117.00 121.75 1wyn n LEU 99 Ca 0.26 0.40 -0.09 0.00 -1.11 0.00 0.00 56.01 55.47 1wyn n LEU 99 Cb 0.84 -0.96 -0.06 0.00 0.53 0.00 0.00 43.42 43.78 1wyn n LEU 99 CO 0.01 0.34 0.50 0.15 -1.11 0.00 0.00 177.39 177.28 1wyn h PHE 100 N -0.95 -0.90 -0.91 1.96 3.57 -0.52 -2.13 116.94 117.05 1wyn h PHE 100 Ca -0.40 0.03 -0.55 0.00 3.53 0.00 0.00 57.97 60.59 1wyn h PHE 100 Cb 1.38 0.40 -0.27 0.00 2.79 0.00 0.00 35.95 40.25 1wyn h PHE 100 CO 0.07 -0.31 0.70 0.39 -2.23 0.00 0.00 178.31 176.94 1wyn n GLU 101 N -4.16 2.35 -1.76 1.11 1.02 0.10 -4.86 120.64 114.44 1wyn n GLU 101 Ca -0.04 -2.88 0.00 0.00 -0.02 0.00 0.00 57.16 54.23 1wyn n GLU 101 Cb 0.21 -2.13 0.00 0.00 -0.02 0.00 0.00 31.44 29.51 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 -0.85 -0.51 0.12 1.62 3.41 -0.80 -4.66 113.62 111.95 1wyn n SER 102 Ca 0.56 0.25 0.07 0.00 -0.26 0.00 0.00 58.87 59.50 1wyn n SER 102 Cb 1.10 -0.75 0.38 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 -0.70 3.18 5.00 0.00 0.44 -4.40 105.19 108.46 1wyn n GLY 103 Ca 0.00 0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.59 -0.31 -0.00 1.61 3.84 0.76 -4.79 114.94 112.45 1wyn s ASN 104 Ca -0.02 0.25 0.18 0.00 0.21 0.00 0.00 52.86 53.49 1wyn s ASN 104 Cb 0.04 1.29 -0.21 0.00 -0.55 0.00 0.00 41.25 41.81 1wyn s ASN 104 CO 0.13 -0.06 0.72 0.23 -2.79 0.00 0.00 177.10 175.33 1wyn n MET 105 N 5.27 0.88 0.07 0.43 2.81 -1.26 -4.06 117.12 121.26 1wyn n MET 105 Ca -0.08 -0.03 -0.20 0.00 -1.81 0.00 0.00 57.70 55.58 1wyn n MET 105 Cb 0.54 -1.38 -0.15 0.00 -0.71 0.00 0.00 33.22 31.53 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 1.05 -0.40 2.03 1.35 -1.95 -3.05 112.91 111.94 1wyn h THR 106 Ca 0.00 -2.65 -0.16 0.00 -0.55 0.00 0.00 66.41 63.05 1wyn h THR 106 Cb 0.50 2.78 -0.01 0.00 -1.73 0.00 0.00 68.15 69.69 1wyn h THR 106 CO 0.00 0.83 -0.36 -0.61 -0.25 0.00 0.00 175.52 175.13 1wyn h GLN 107 N 0.09 0.95 0.00 4.72 5.75 -1.93 -2.40 115.11 122.29 1wyn h GLN 107 Ca -0.29 -0.49 -0.10 0.00 -0.15 0.00 0.00 58.65 57.62 1wyn h GLN 107 Cb 2.07 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 30.61 1wyn h GLN 107 CO 0.18 1.14 -0.49 0.28 -2.65 0.00 0.00 178.83 177.29 1wyn h VAL 108 N 0.77 1.33 0.04 2.39 2.07 -1.72 -2.49 116.25 118.64 1wyn h VAL 108 Ca 0.07 -1.68 -0.00 0.00 0.82 0.00 0.00 66.70 65.90 1wyn h VAL 108 Cb 0.95 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1wyn h VAL 108 CO 0.09 0.48 -0.02 -0.61 0.02 0.00 0.00 177.57 177.53 1wyn h GLN 109 N 0.00 -0.05 -0.36 1.57 4.15 -1.41 -3.17 115.11 115.85 1wyn h GLN 109 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1wyn h GLN 109 Cb 0.87 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.56 1wyn h GLN 109 CO 0.06 0.45 0.18 -0.39 -1.93 0.00 0.00 178.83 177.21 1wyn h VAL 110 N -0.58 1.12 -1.00 2.39 -1.51 -1.43 -2.02 116.25 113.22 1wyn h VAL 110 Ca -0.01 -0.32 0.06 0.00 -1.23 0.00 0.00 66.70 65.21 1wyn h VAL 110 Cb 0.52 0.65 -0.07 0.00 -2.13 0.00 0.00 31.29 30.27 1wyn h VAL 110 CO 0.01 0.13 0.65 -1.28 -1.23 0.00 0.00 177.57 175.85 1wyn h SER 111 N 0.49 1.05 0.02 4.19 0.87 -1.43 -0.03 113.55 118.70 1wyn h SER 111 Ca 0.13 0.01 -0.19 0.00 -1.23 0.00 0.00 61.79 60.50 1wyn h SER 111 Cb 0.03 -0.22 0.02 0.00 -0.44 0.00 0.00 62.40 61.79 1wyn h SER 111 CO -0.02 0.68 -0.76 -0.07 -0.53 0.00 0.00 176.83 176.13 1wyn h LEU 112 N 1.19 0.64 -2.36 2.23 3.38 -1.37 -0.82 115.31 118.19 1wyn h LEU 112 Ca 0.42 -0.77 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1wyn h LEU 112 Cb 0.14 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1wyn h LEU 112 CO -0.16 1.33 -0.03 -0.07 0.09 0.00 0.00 178.44 179.60 1wyn h LEU 113 N 0.02 0.00 0.08 1.67 3.38 -0.98 0.45 115.31 119.92 1wyn h LEU 113 Ca -0.10 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.54 1wyn h LEU 113 Cb 1.46 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.19 1wyn h LEU 113 CO 0.15 0.03 -1.83 0.00 0.09 0.00 0.00 178.44 176.89 1wyn n ALA 114 N -2.28 0.89 0.11 1.53 0.00 -0.06 -3.42 120.51 117.29 1wyn n ALA 114 Ca -0.03 -0.60 0.02 0.00 0.00 0.00 0.00 53.44 52.83 1wyn n ALA 114 Cb 0.13 -0.58 0.38 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.30 0.24 0.20 0.00 5.85 -0.85 -2.95 115.31 117.50 1wyn h LEU 115 Ca -0.42 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 1wyn h LEU 115 Cb 1.79 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.76 1wyn h LEU 115 CO -0.03 0.40 -0.10 0.00 -0.34 0.00 0.00 178.44 178.37 1wyn h ALA 116 N 1.63 -0.27 -0.89 1.25 0.00 -1.08 -0.21 119.26 119.69 1wyn h ALA 116 Ca 0.05 -0.21 0.24 0.00 0.00 0.00 0.00 54.91 54.99 1wyn h ALA 116 Cb 0.38 0.11 -0.14 0.00 0.00 0.00 0.00 17.79 18.14 1wyn h ALA 116 CO 0.02 -0.36 0.30 0.78 0.00 0.00 0.00 179.25 179.99 1wyn h GLY 117 N -0.85 1.46 0.39 0.00 0.00 -1.56 -0.69 103.07 101.82 1wyn h GLY 117 Ca -0.03 -0.08 -0.07 0.00 0.00 0.00 0.00 47.33 47.15 1wyn h GLY 117 CO 0.05 -0.36 -0.28 1.70 0.00 0.00 0.00 176.54 177.65 1wyn h LYS 118 N 0.26 0.15 0.00 4.80 3.64 -1.58 -3.20 116.57 120.65 1wyn h LYS 118 Ca 0.57 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 1wyn h LYS 118 Cb 1.16 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1wyn h LYS 118 CO -0.62 0.98 0.30 0.00 -2.27 0.00 0.00 179.45 177.84 1wyn h ALA 119 N 0.18 1.23 -0.12 5.00 0.00 0.11 0.14 119.26 125.81 1wyn h ALA 119 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1wyn h ALA 119 Cb 1.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1wyn h ALA 119 CO 0.05 -0.23 0.02 1.63 0.00 0.00 0.00 179.25 180.72 1wyn n LYS 120 N -2.28 1.62 -0.01 0.00 5.02 -0.38 -3.27 118.16 118.86 1wyn n LYS 120 Ca -0.01 -0.57 -0.00 0.00 -2.02 0.00 0.00 58.31 55.71 1wyn n LYS 120 Cb 0.33 -1.56 -0.04 0.00 -0.02 0.00 0.00 35.03 33.74 1wyn n LYS 120 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1wyn n THR 121 N 0.13 0.17 -0.07 -0.18 5.66 0.51 -4.19 114.28 116.31 1wyn n THR 121 Ca 0.06 -0.16 -0.16 0.00 -3.05 0.00 0.00 64.05 60.74 1wyn n THR 121 Cb 0.48 -0.32 -0.14 0.00 -1.55 0.00 0.00 70.33 68.81 1wyn n THR 121 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1wyn n LYS 122 N -1.95 0.69 -1.84 1.09 -0.00 -1.21 -4.47 118.16 110.47 1wyn n LYS 122 Ca -0.05 0.18 -0.23 0.00 -0.00 0.00 0.00 58.31 58.22 1wyn n LYS 122 Cb 0.42 -1.62 0.04 0.00 -0.00 0.00 0.00 35.03 33.87 1wyn n LYS 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wyn n GLY 123 N 1.98 6.25 3.77 2.58 0.00 -1.20 -5.05 105.19 113.51 1wyn n GLY 123 Ca -0.35 -2.52 -0.40 0.00 0.00 0.00 0.00 46.02 42.75 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 -3.60 4.41 0.00 0.99 0.05 -1.26 -4.94 118.68 114.33 1wyn s LEU 124 Ca 0.52 2.47 -0.12 0.00 0.05 0.00 0.00 54.13 57.05 1wyn s LEU 124 Cb 0.42 -3.73 0.16 0.00 -2.05 0.00 0.00 46.19 40.99 1wyn s LEU 124 CO 0.03 -0.44 0.87 0.00 -0.55 0.00 0.00 176.35 176.26 1wyn n GLN 125 N 0.75 -1.21 -0.19 1.48 6.02 -1.26 -4.94 117.38 118.03 1wyn n GLN 125 Ca 0.01 -1.35 -0.01 0.00 -0.01 0.00 0.00 57.00 55.63 1wyn n GLN 125 Cb 0.44 -0.97 0.06 0.00 1.02 0.00 0.00 30.24 30.79 1wyn n GLN 125 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1wyn h SER 126 N -1.39 -0.46 -1.20 1.08 0.87 -2.04 -3.48 113.55 106.93 1wyn h SER 126 Ca -0.29 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1wyn h SER 126 Cb 0.81 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 1wyn h SER 126 CO 0.20 -0.17 0.00 0.61 -0.53 0.00 0.00 176.83 176.94 1wyn n GLY 127 N -1.39 -0.22 3.64 5.77 0.00 -1.26 -5.12 105.19 106.61 1wyn n GLY 127 Ca 0.07 -1.50 -0.35 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.70 4.13 0.95 1.61 1.01 -1.26 -5.11 120.40 119.03 1wyn s VAL 128 Ca 0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 61.98 61.56 1wyn s VAL 128 Cb 0.00 -2.73 0.16 0.00 0.00 0.00 0.00 36.38 33.81 1wyn s VAL 128 CO 0.00 0.59 1.09 -1.81 0.00 0.00 0.00 175.10 174.97 1wyn s ASP 129 N -0.73 2.85 -0.16 3.32 1.01 -1.26 -4.99 116.67 116.72 1wyn s ASP 129 Ca 0.11 1.70 0.01 0.00 0.71 0.00 0.00 52.55 55.08 1wyn s ASP 129 Cb -0.11 -2.33 -0.23 0.00 1.01 0.00 0.00 42.92 41.26 1wyn s ASP 129 CO 0.02 -3.06 0.21 -0.38 0.21 0.00 0.00 175.17 172.17 1wyn n ILE 130 N -4.18 1.64 -0.36 0.77 5.41 -1.26 -4.31 119.36 117.07 1wyn n ILE 130 Ca 0.07 -0.67 0.03 0.00 1.00 0.00 0.00 62.75 63.18 1wyn n ILE 130 Cb 0.54 -1.43 0.19 0.00 -0.71 0.00 0.00 39.64 38.23 1wyn n ILE 130 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1wyn h GLY 131 N 1.97 1.51 1.66 7.39 0.00 -2.02 -0.01 103.07 113.56 1wyn h GLY 131 Ca -0.46 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.40 1wyn h GLY 131 CO 0.03 0.32 0.11 1.55 0.00 0.00 0.00 176.54 178.56 1wyn n VAL 132 N -4.50 1.21 -4.64 4.60 3.14 -1.26 -4.34 118.33 112.54 1wyn n VAL 132 Ca 0.15 0.63 -0.33 0.00 -2.96 0.00 0.00 64.34 61.84 1wyn n VAL 132 Cb 0.20 -1.63 -0.15 0.00 -1.06 0.00 0.00 33.84 31.19 1wyn n VAL 132 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1wyn s LYS 133 N -3.18 3.31 -0.09 1.45 2.47 -0.02 -5.02 119.74 118.66 1wyn s LYS 133 Ca -0.01 -0.71 -0.09 0.00 -1.56 0.00 0.00 55.97 53.60 1wyn s LYS 133 Cb 0.03 -2.65 -0.03 0.00 -1.46 0.00 0.00 37.83 33.72 1wyn s LYS 133 CO 0.09 0.11 -0.18 0.98 0.16 0.00 0.00 175.35 176.51 1wyn n TYR 134 N 3.82 0.00 -3.63 4.03 9.36 -1.26 -4.96 117.16 124.51 1wyn n TYR 134 Ca -0.18 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 60.92 1wyn n TYR 134 Cb 0.52 -0.26 -0.07 0.00 -0.63 0.00 0.00 39.34 38.91 1wyn n TYR 134 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 1wyn s SER 135 N -4.98 -0.77 -0.05 2.98 0.01 -1.26 -5.16 113.70 104.46 1wyn s SER 135 Ca -0.15 1.40 0.03 0.00 1.31 0.00 0.00 55.95 58.55 1wyn s SER 135 Cb 0.02 1.40 0.01 0.00 0.21 0.00 0.00 66.02 67.65 1wyn s SER 135 CO 0.22 -0.24 -0.14 -1.61 0.41 0.00 0.00 173.24 171.88 1wyn s GLU 136 N 0.69 1.69 0.12 12.44 0.41 -1.26 -5.14 118.70 127.65 1wyn s GLU 136 Ca -0.02 -0.48 -0.09 0.00 -0.41 0.00 0.00 54.97 53.96 1wyn s GLU 136 Cb -0.05 -1.42 -0.00 0.00 -1.78 0.00 0.00 34.13 30.87 1wyn s GLU 136 CO -0.05 0.12 0.23 0.15 -0.49 0.00 0.00 175.26 175.22 1wyn s LYS 137 N 0.38 0.97 -0.15 1.61 1.02 -1.26 -5.17 119.74 117.14 1wyn s LYS 137 Ca -0.10 -1.03 -0.09 0.00 0.02 0.00 0.00 55.97 54.78 1wyn s LYS 137 Cb -0.13 0.36 0.05 0.00 -0.52 0.00 0.00 37.83 37.59 1wyn s LYS 137 CO 0.03 -0.33 0.35 1.14 -0.92 0.00 0.00 175.35 175.62 1wyn s GLN 138 N -3.90 0.34 -0.28 1.68 0.00 -1.26 -5.15 119.66 111.09 1wyn s GLN 138 Ca 0.09 0.67 -0.16 0.00 -0.00 0.00 0.00 55.36 55.96 1wyn s GLN 138 Cb 0.04 -0.01 0.11 0.00 0.00 0.00 0.00 33.01 33.15 1wyn s GLN 138 CO -0.07 -0.14 0.82 -2.00 0.00 0.00 0.00 175.29 173.90 1wyn s GLU 139 N 1.16 0.56 -0.03 9.60 2.56 -1.26 -5.17 118.70 126.11 1wyn s GLU 139 Ca -0.08 0.96 -0.13 0.00 0.00 0.00 0.00 54.97 55.72 1wyn s GLU 139 Cb -0.08 0.12 0.02 0.00 2.00 0.00 0.00 34.13 36.19 1wyn s GLU 139 CO -0.09 -0.12 0.28 0.50 -0.56 0.00 0.00 175.26 175.27 1wyn s ARG 140 N 1.47 0.57 0.11 4.30 6.06 -1.26 -5.17 118.95 125.02 1wyn s ARG 140 Ca -0.09 -0.09 -0.26 0.00 -2.50 0.00 0.00 55.73 52.78 1wyn s ARG 140 Cb -0.04 0.25 0.08 0.00 0.06 0.00 0.00 34.95 35.30 1wyn s ARG 140 CO -0.17 -0.14 1.08 -1.54 -2.50 0.00 0.00 175.30 172.03 1wyn s SER 141 N -1.01 -0.09 -0.04 -2.12 1.04 -1.26 -5.19 113.70 105.03 1wyn s SER 141 Ca -0.11 -0.39 -0.13 0.00 0.48 0.00 0.00 55.95 55.80 1wyn s SER 141 Cb -0.05 0.39 0.02 0.00 0.10 0.00 0.00 66.02 66.48 1wyn s SER 141 CO 0.03 -0.74 0.30 -0.83 0.98 0.00 0.00 173.24 172.98 1wyn s GLY 142 N -3.11 -0.16 1.23 7.32 0.00 -1.26 -5.17 107.32 106.17 1wyn s GLY 142 Ca 0.16 0.44 -0.20 0.00 0.00 0.00 0.00 44.72 45.12 1wyn s GLY 142 CO 0.01 0.26 1.11 2.56 0.00 0.00 0.00 173.10 177.05 1wyn s PRO 143 N -0.93 -1.44 0.16 2.90 0.04 -1.26 -5.10 135.00 129.37 1wyn s PRO 143 Ca -0.10 -0.15 -0.07 0.00 0.04 0.00 0.00 61.00 60.72 1wyn s PRO 143 Cb -0.05 -1.58 -0.02 0.00 0.04 0.00 0.00 34.50 32.90 1wyn s PRO 143 CO 0.03 -3.84 0.22 -1.54 0.04 0.00 0.00 177.00 171.91 1wyn s SER 144 N -3.96 0.11 0.31 6.66 1.04 -1.26 -5.18 113.70 111.42 1wyn s SER 144 Ca 0.72 -0.98 0.09 0.00 0.48 0.00 0.00 55.95 56.25 1wyn s SER 144 Cb -0.08 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 1wyn s SER 144 CO 0.56 -0.85 0.07 -0.44 0.98 0.00 0.00 173.24 173.55 1wyn s SER 145 N -3.00 4.57 0.00 7.02 0.01 -1.26 -5.39 113.70 115.65 1wyn s SER 145 Ca 0.20 -0.75 0.17 0.00 1.31 0.00 0.00 55.95 56.89 1wyn s SER 145 Cb 0.04 -0.76 0.14 0.00 0.21 0.00 0.00 66.02 65.65 1wyn s SER 145 CO 0.01 -0.17 1.05 0.61 0.41 0.00 0.00 173.24 175.15