#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wyn h SER 2 N 0.00 0.00 -6.20 1.61 0.87 -2.09 -3.48 113.55 104.26 1wyn h SER 2 Ca 0.00 -0.26 -0.45 0.00 -1.23 0.00 0.00 61.79 59.84 1wyn h SER 2 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1wyn h SER 2 CO 0.00 0.96 -0.76 -0.24 -0.53 0.00 0.00 176.83 176.26 1wyn n SER 3 N -4.59 -4.22 -4.21 6.23 2.88 -1.26 -4.97 113.62 103.48 1wyn n SER 3 Ca -0.14 -0.76 -0.12 0.00 -1.33 0.00 0.00 58.87 56.52 1wyn n SER 3 Cb 0.37 -4.07 -0.10 0.00 -0.75 0.00 0.00 64.21 59.67 1wyn n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wyn s GLY 4 N -3.54 1.18 0.44 0.46 0.00 -1.26 -5.14 107.32 99.46 1wyn s GLY 4 Ca 0.51 -1.57 -0.23 0.00 0.00 0.00 0.00 44.72 43.44 1wyn s GLY 4 CO 0.81 -1.47 1.09 -0.45 0.00 0.00 0.00 173.10 173.09 1wyn s SER 5 N -3.14 6.42 0.45 1.64 0.15 -1.26 -5.04 113.70 112.92 1wyn s SER 5 Ca 0.25 2.13 -0.04 0.00 0.70 0.00 0.00 55.95 58.99 1wyn s SER 5 Cb 0.07 -2.59 -0.03 0.00 -1.71 0.00 0.00 66.02 61.76 1wyn s SER 5 CO 0.04 -0.74 0.73 -0.55 1.20 0.00 0.00 173.24 173.92 1wyn s SER 6 N -1.57 6.22 0.00 5.45 0.15 -1.26 -5.04 113.70 117.65 1wyn s SER 6 Ca 0.62 0.77 0.00 0.00 0.70 0.00 0.00 55.95 58.04 1wyn s SER 6 Cb -0.24 -2.14 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 1wyn s SER 6 CO 0.29 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1wyn n GLY 7 N -2.15 2.93 3.53 9.45 0.00 -1.26 -5.08 105.19 112.60 1wyn n GLY 7 Ca -0.01 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1wyn n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wyn s ASN 8 N 0.00 6.20 -0.24 1.61 2.47 -1.26 -4.61 114.94 119.10 1wyn s ASN 8 Ca 0.00 -0.52 -0.20 0.00 0.42 0.00 0.00 52.86 52.56 1wyn s ASN 8 Cb 0.00 -2.52 0.06 0.00 -1.45 0.00 0.00 41.25 37.34 1wyn s ASN 8 CO 0.00 -1.69 0.63 -0.60 -3.72 0.00 0.00 177.10 171.72 1wyn s ARG 9 N 5.20 0.71 -0.09 0.43 3.52 -1.26 -5.09 118.95 122.37 1wyn s ARG 9 Ca 0.32 0.94 -0.09 0.00 -0.13 0.00 0.00 55.73 56.78 1wyn s ARG 9 Cb -0.10 0.29 0.02 0.00 -1.56 0.00 0.00 34.95 33.60 1wyn s ARG 9 CO 0.15 -0.11 0.25 -0.51 -0.81 0.00 0.00 175.30 174.27 1wyn s LEU 10 N 0.67 1.06 -0.18 -0.88 1.43 -1.26 -3.48 118.68 116.04 1wyn s LEU 10 Ca -0.03 0.48 -0.04 0.00 -1.03 0.00 0.00 54.13 53.51 1wyn s LEU 10 Cb -0.05 0.86 0.06 0.00 0.03 0.00 0.00 46.19 47.09 1wyn s LEU 10 CO -0.04 -0.10 0.06 -0.76 0.23 0.00 0.00 176.35 175.74 1wyn s LEU 11 N 0.06 0.79 0.09 1.79 1.43 -1.26 -5.08 118.68 116.50 1wyn s LEU 11 Ca -0.01 -0.69 -0.27 0.00 -1.03 0.00 0.00 54.13 52.13 1wyn s LEU 11 Cb -0.02 -0.43 0.08 0.00 0.03 0.00 0.00 46.19 45.85 1wyn s LEU 11 CO 0.00 -0.32 1.08 -0.94 0.23 0.00 0.00 176.35 176.41 1wyn s SER 12 N 1.99 -0.13 0.00 2.29 1.04 -1.26 -5.05 113.70 112.58 1wyn s SER 12 Ca 0.01 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1wyn s SER 12 Cb -0.16 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1wyn s SER 12 CO -0.08 -0.68 0.25 0.29 0.98 0.00 0.00 173.24 174.00 1wyn n LYS 13 N -0.48 2.52 -3.62 4.02 5.02 -1.26 -4.93 118.16 119.43 1wyn n LYS 13 Ca -0.07 -0.25 -0.06 0.00 -2.02 0.00 0.00 58.31 55.91 1wyn n LYS 13 Cb 0.61 -0.74 -0.02 0.00 -0.02 0.00 0.00 35.03 34.87 1wyn n LYS 13 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1wyn s TYR 14 N -0.43 -0.24 -0.30 2.13 5.04 -1.26 -4.50 117.35 117.79 1wyn s TYR 14 Ca 0.00 0.03 -0.16 0.00 -2.44 0.00 0.00 57.07 54.50 1wyn s TYR 14 Cb 0.00 0.59 0.17 0.00 0.35 0.00 0.00 41.96 43.07 1wyn s TYR 14 CO 0.00 -0.68 1.08 0.34 -1.34 0.00 0.00 175.55 174.95 1wyn s ASP 15 N -2.71 -0.39 0.36 4.32 -1.08 -1.26 -5.02 116.67 110.89 1wyn s ASP 15 Ca 0.08 0.57 0.27 0.00 -0.52 0.00 0.00 52.55 52.96 1wyn s ASP 15 Cb -0.01 1.36 1.14 0.00 -1.46 0.00 0.00 42.92 43.95 1wyn s ASP 15 CO -0.04 -0.08 1.81 1.55 0.52 0.00 0.00 175.17 178.93 1wyn h PRO 16 N 6.80 0.00 0.00 4.34 0.13 -2.02 -2.62 132.00 138.64 1wyn h PRO 16 Ca -0.19 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.61 1wyn h PRO 16 Cb 1.14 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.21 1wyn h PRO 16 CO 0.12 0.00 -2.02 0.00 -0.23 0.00 0.00 178.00 175.87 1wyn n GLN 17 N -2.54 0.66 -0.05 0.86 10.64 -1.26 -4.36 117.38 121.34 1wyn n GLN 17 Ca 0.01 0.17 -0.14 0.00 -1.83 0.00 0.00 57.00 55.21 1wyn n GLN 17 Cb 0.25 -1.67 -0.08 0.00 -0.86 0.00 0.00 30.24 27.88 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 0.36 -1.13 2.61 1.79 -1.91 -3.16 116.57 115.13 1wyn h LYS 18 Ca -0.41 -0.22 0.40 0.00 -2.18 0.00 0.00 60.65 58.24 1wyn h LYS 18 Cb 2.11 0.02 -0.12 0.00 -1.58 0.00 0.00 32.23 32.66 1wyn h LYS 18 CO 0.05 0.81 0.72 -1.91 -1.08 0.00 0.00 179.45 178.05 1wyn n GLU 19 N -4.50 -0.03 0.13 3.15 2.13 -1.00 0.22 120.64 120.74 1wyn n GLU 19 Ca -0.07 1.06 -0.24 0.00 0.66 0.00 0.00 57.16 58.57 1wyn n GLU 19 Cb 0.42 -2.08 -0.16 0.00 0.27 0.00 0.00 31.44 29.89 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 1.37 -0.12 -0.58 4.31 0.00 -1.79 -3.18 119.26 119.27 1wyn h ALA 20 Ca 0.74 -0.88 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1wyn h ALA 20 Cb 2.35 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 20.30 1wyn h ALA 20 CO -0.41 0.70 0.30 0.93 0.00 0.00 0.00 179.25 180.77 1wyn h GLU 21 N 0.08 0.55 0.45 0.00 5.08 0.28 -0.08 114.58 120.94 1wyn h GLU 21 Ca -0.26 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 1wyn h GLU 21 Cb 2.11 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 31.24 1wyn h GLU 21 CO 0.25 0.37 -0.22 -0.07 -1.00 0.00 0.00 179.01 178.34 1wyn h LEU 22 N 0.57 -0.51 -1.38 1.33 3.38 -1.24 0.20 115.31 117.67 1wyn h LEU 22 Ca 0.26 0.02 0.29 0.00 0.09 0.00 0.00 57.88 58.54 1wyn h LEU 22 Cb 0.18 0.13 -0.10 0.00 0.09 0.00 0.00 40.66 40.96 1wyn h LEU 22 CO -0.18 -0.35 0.69 0.08 0.09 0.00 0.00 178.44 178.77 1wyn h ARG 23 N -0.63 0.33 0.00 1.13 0.11 -1.52 1.04 114.38 114.84 1wyn h ARG 23 Ca -0.06 -0.02 -0.10 0.00 0.10 0.00 0.00 59.98 59.90 1wyn h ARG 23 Cb 0.46 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.45 1wyn h ARG 23 CO 0.10 0.22 -0.46 1.15 0.10 0.00 0.00 179.97 181.08 1wyn h THR 24 N 0.34 1.05 0.00 0.08 2.02 -0.82 0.35 112.91 115.93 1wyn h THR 24 Ca 0.63 -1.78 -0.15 0.00 0.77 0.00 0.00 66.41 65.88 1wyn h THR 24 Cb 1.66 2.05 -0.02 0.00 -1.74 0.00 0.00 68.15 70.09 1wyn h THR 24 CO -0.31 0.45 -1.21 -0.25 0.37 0.00 0.00 175.52 174.57 1wyn h TRP 25 N 0.00 0.00 0.11 3.16 7.01 0.30 -3.33 115.95 123.21 1wyn h TRP 25 Ca -0.00 0.00 -0.36 0.00 2.11 0.00 0.00 58.89 60.64 1wyn h TRP 25 Cb 1.01 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 28.05 1wyn h TRP 25 CO 0.00 0.53 -1.98 -0.89 -2.79 0.00 0.00 178.44 173.32 1wyn n ILE 26 N -2.95 1.76 -0.14 2.65 5.41 0.14 -3.32 119.36 122.92 1wyn n ILE 26 Ca -0.07 -0.62 0.14 0.00 1.00 0.00 0.00 62.75 63.21 1wyn n ILE 26 Cb 0.80 -1.74 0.50 0.00 -0.71 0.00 0.00 39.64 38.49 1wyn n ILE 26 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1wyn h GLU 27 N 0.00 0.40 0.09 0.38 5.08 -0.47 -1.25 114.58 118.82 1wyn h GLU 27 Ca -0.43 -0.02 -0.28 0.00 -1.00 0.00 0.00 59.36 57.63 1wyn h GLU 27 Cb 1.99 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.14 1wyn h GLU 27 CO 0.06 0.27 -1.36 0.78 -1.00 0.00 0.00 179.01 177.76 1wyn h GLY 28 N 0.41 0.22 0.96 -3.84 0.00 -1.72 0.87 103.07 99.97 1wyn h GLY 28 Ca 0.34 -0.57 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 1wyn h GLY 28 CO -0.10 0.50 -0.42 1.41 0.00 0.00 0.00 176.54 177.93 1wyn h LEU 29 N 0.05 -0.99 0.02 3.11 3.38 -1.25 -3.27 115.31 116.35 1wyn h LEU 29 Ca -0.17 0.03 -0.25 0.00 0.09 0.00 0.00 57.88 57.57 1wyn h LEU 29 Cb 1.96 0.26 -0.03 0.00 0.09 0.00 0.00 40.66 42.93 1wyn h LEU 29 CO 0.16 -0.67 -1.32 0.71 0.09 0.00 0.00 178.44 177.41 1wyn h THR 30 N -1.22 1.33 0.00 0.22 1.35 -1.53 -3.48 112.91 109.58 1wyn h THR 30 Ca -0.12 -3.09 0.00 0.00 -0.55 0.00 0.00 66.41 62.66 1wyn h THR 30 Cb 0.90 2.68 0.00 0.00 -1.73 0.00 0.00 68.15 70.00 1wyn h THR 30 CO 0.20 0.78 0.00 0.61 -0.25 0.00 0.00 175.52 176.86 1wyn n GLY 31 N 1.46 0.56 4.01 5.82 0.00 0.29 -5.05 105.19 112.29 1wyn n GLY 31 Ca -0.08 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.39 1wyn n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wyn s LEU 32 N 0.00 3.38 -0.13 0.99 1.43 -1.20 -4.98 118.68 118.17 1wyn s LEU 32 Ca 0.00 -0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 52.58 1wyn s LEU 32 Cb 0.00 -2.30 -0.02 0.00 0.03 0.00 0.00 46.19 43.89 1wyn s LEU 32 CO 0.00 -1.08 -0.08 -0.94 0.23 0.00 0.00 176.35 174.49 1wyn s SER 33 N -4.49 4.49 -0.00 2.29 1.04 -1.26 -4.63 113.70 111.14 1wyn s SER 33 Ca 0.58 -0.18 -0.19 0.00 0.48 0.00 0.00 55.95 56.64 1wyn s SER 33 Cb -0.08 -1.62 -0.31 0.00 0.10 0.00 0.00 66.02 64.11 1wyn s SER 33 CO 0.36 0.20 0.99 0.40 0.98 0.00 0.00 173.24 176.17 1wyn h ILE 34 N 5.09 1.40 0.00 -1.02 2.04 -1.96 -3.50 117.51 119.57 1wyn h ILE 34 Ca -0.32 -2.50 0.00 0.00 1.00 0.00 0.00 64.86 63.04 1wyn h ILE 34 Cb 1.19 2.99 0.00 0.00 -0.74 0.00 0.00 36.82 40.26 1wyn h ILE 34 CO 0.59 0.73 0.00 0.61 0.00 0.00 0.00 178.15 180.08 1wyn n GLY 35 N 1.54 -0.70 0.22 5.37 0.00 -1.26 -3.82 105.19 106.54 1wyn n GLY 35 Ca -0.14 -2.20 -0.07 0.00 0.00 0.00 0.00 46.02 43.61 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 4.89 0.53 -4.91 1.61 0.13 -2.03 -3.42 132.00 128.80 1wyn h PRO 36 Ca 0.00 -0.28 -0.66 0.00 -0.87 0.00 0.00 66.00 64.19 1wyn h PRO 36 Cb 0.00 0.01 -0.25 0.00 0.13 0.00 0.00 31.00 30.89 1wyn h PRO 36 CO 0.00 0.86 -0.65 -0.51 -0.23 0.00 0.00 178.00 177.47 1wyn s ASP 37 N -6.87 4.90 0.03 1.44 1.01 -1.26 -5.01 116.67 110.91 1wyn s ASP 37 Ca -0.07 -0.44 -0.23 0.00 0.71 0.00 0.00 52.55 52.52 1wyn s ASP 37 Cb 0.12 -1.86 -0.13 0.00 1.01 0.00 0.00 42.92 42.07 1wyn s ASP 37 CO 0.82 -0.09 1.22 0.15 0.21 0.00 0.00 175.17 177.48 1wyn h PHE 38 N 8.20 -0.77 -1.03 4.23 3.57 -1.89 0.99 116.94 130.25 1wyn h PHE 38 Ca -0.37 -0.02 0.33 0.00 3.53 0.00 0.00 57.97 61.44 1wyn h PHE 38 Cb 1.15 0.25 -0.14 0.00 2.79 0.00 0.00 35.95 40.00 1wyn h PHE 38 CO 0.63 -0.48 0.60 0.37 -2.23 0.00 0.00 178.31 177.20 1wyn h GLN 39 N -0.92 0.30 0.03 1.11 -0.00 -1.95 -1.41 115.11 112.27 1wyn h GLN 39 Ca -0.08 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.55 1wyn h GLN 39 Cb 0.64 -0.07 0.00 0.00 0.00 0.00 0.00 27.48 28.05 1wyn h GLN 39 CO 0.14 0.20 -0.01 0.87 0.00 0.00 0.00 178.83 180.02 1wyn h LYS 40 N 0.31 -0.03 -1.29 1.69 1.79 -1.88 0.58 116.57 117.73 1wyn h LYS 40 Ca 0.74 0.00 0.41 0.00 -2.18 0.00 0.00 60.65 59.62 1wyn h LYS 40 Cb 1.74 0.01 -0.09 0.00 -1.58 0.00 0.00 32.23 32.31 1wyn h LYS 40 CO -0.58 -0.02 0.88 0.41 -1.08 0.00 0.00 179.45 179.06 1wyn n GLY 41 N 0.71 -0.72 0.10 3.86 0.00 0.33 0.22 105.19 109.70 1wyn n GLY 41 Ca -0.00 0.59 -0.13 0.00 0.00 0.00 0.00 46.02 46.48 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 -4.00 1.24 0.00 0.99 4.77 -0.57 -4.50 117.00 114.92 1wyn n LEU 42 Ca 0.34 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 1wyn n LEU 42 Cb 1.40 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 42.36 1wyn n LEU 42 CO 0.23 0.57 0.30 1.17 -1.33 0.00 0.00 177.39 178.33 1wyn n LYS 43 N -3.08 0.00 -0.38 3.23 4.81 0.60 0.14 118.16 123.47 1wyn n LYS 43 Ca -0.27 0.60 0.33 0.00 -0.87 0.00 0.00 58.31 58.10 1wyn n LYS 43 Cb 1.07 -0.99 0.56 0.00 0.02 0.00 0.00 35.03 35.69 1wyn n LYS 43 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1wyn n ASP 44 N -1.90 0.19 -0.47 3.14 9.92 -1.21 -4.68 116.55 121.53 1wyn n ASP 44 Ca 0.00 1.19 0.00 0.00 -0.53 0.00 0.00 54.79 55.45 1wyn n ASP 44 Cb 0.00 -0.58 0.00 0.00 -0.64 0.00 0.00 41.12 39.90 1wyn n ASP 44 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wyn n GLY 45 N -1.41 0.78 0.11 0.44 0.00 0.38 -4.35 105.19 101.14 1wyn n GLY 45 Ca 0.34 -0.41 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 1wyn n GLY 45 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wyn n THR 46 N -1.33 1.51 0.03 2.61 -2.24 -1.26 -4.38 114.28 109.21 1wyn n THR 46 Ca 0.00 -0.08 -0.07 0.00 -2.27 0.00 0.00 64.05 61.63 1wyn n THR 46 Cb 0.34 -2.08 -0.05 0.00 -2.10 0.00 0.00 70.33 66.44 1wyn n THR 46 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1wyn h ILE 47 N -1.00 0.48 -1.23 2.28 2.04 -1.88 -3.24 117.51 114.96 1wyn h ILE 47 Ca -0.36 -1.14 0.39 0.00 1.00 0.00 0.00 64.86 64.75 1wyn h ILE 47 Cb 1.24 0.86 -0.08 0.00 -0.74 0.00 0.00 36.82 38.10 1wyn h ILE 47 CO -0.22 0.15 0.84 0.18 0.00 0.00 0.00 178.15 179.10 1wyn n LEU 48 N -4.87 0.08 0.04 1.44 4.77 -1.26 0.14 117.00 117.33 1wyn n LEU 48 Ca -0.05 0.88 -0.10 0.00 -0.03 0.00 0.00 56.01 56.71 1wyn n LEU 48 Cb 0.19 -0.43 -0.07 0.00 -2.33 0.00 0.00 43.42 40.77 1wyn n LEU 48 CO 0.15 -0.92 0.36 0.00 -1.33 0.00 0.00 177.39 175.65 1wyn h THR 50 N -0.89 0.84 -0.75 0.00 1.35 0.11 -2.26 112.91 111.32 1wyn h THR 50 Ca -0.02 -0.16 0.14 0.00 -0.55 0.00 0.00 66.41 65.82 1wyn h THR 50 Cb 0.52 0.32 -0.14 0.00 -1.73 0.00 0.00 68.15 67.12 1wyn h THR 50 CO 0.03 0.09 -0.24 0.25 -0.25 0.00 0.00 175.52 175.40 1wyn h LEU 51 N 0.48 -0.88 -0.10 3.87 5.85 -1.20 0.22 115.31 123.55 1wyn h LEU 51 Ca 0.29 0.24 -0.00 0.00 0.84 0.00 0.00 57.88 59.24 1wyn h LEU 51 Cb 0.30 0.52 -0.00 0.00 0.37 0.00 0.00 40.66 41.85 1wyn h LEU 51 CO -0.25 -0.27 0.05 -0.03 -0.34 0.00 0.00 178.44 177.60 1wyn h MET 52 N -0.04 0.14 -0.52 1.25 4.05 -1.48 -2.09 114.93 116.24 1wyn h MET 52 Ca 0.34 -0.02 0.15 0.00 -0.28 0.00 0.00 59.70 59.89 1wyn h MET 52 Cb 0.57 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.32 1wyn h MET 52 CO -0.78 0.20 0.63 -0.91 0.23 0.00 0.00 176.91 176.28 1wyn h ASN 53 N 0.04 0.00 0.20 1.39 2.35 -0.59 0.36 115.58 119.33 1wyn h ASN 53 Ca 0.03 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.50 1wyn h ASN 53 Cb 0.11 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.50 1wyn h ASN 53 CO -0.00 0.00 -1.27 0.11 -1.65 0.00 0.00 177.43 174.61 1wyn h LYS 54 N 0.00 0.43 0.23 0.81 1.79 -0.62 -3.39 116.57 115.82 1wyn h LYS 54 Ca 0.25 -0.73 -0.01 0.00 -2.18 0.00 0.00 60.65 57.97 1wyn h LYS 54 Cb 1.51 0.27 0.00 0.00 -1.58 0.00 0.00 32.23 32.44 1wyn h LYS 54 CO -0.00 1.35 -0.11 -0.07 -1.08 0.00 0.00 179.45 179.54 1wyn h LEU 55 N -0.07 -0.26 -8.89 2.94 3.38 -0.20 -3.43 115.31 108.78 1wyn h LEU 55 Ca -0.23 -0.23 -0.63 0.00 0.09 0.00 0.00 57.88 56.87 1wyn h LEU 55 Cb 1.96 0.07 -0.18 0.00 0.09 0.00 0.00 40.66 42.60 1wyn h LEU 55 CO 0.21 0.25 -0.56 -1.58 0.09 0.00 0.00 178.44 176.86 1wyn s GLN 56 N -3.35 3.89 -0.96 1.13 0.74 0.61 -5.02 119.66 116.69 1wyn s GLN 56 Ca -0.11 -0.36 -0.24 0.00 0.05 0.00 0.00 55.36 54.70 1wyn s GLN 56 Cb 0.01 -3.46 -0.06 0.00 1.10 0.00 0.00 33.01 30.60 1wyn s GLN 56 CO 0.39 -0.06 1.94 -1.25 -0.55 0.00 0.00 175.29 175.76 1wyn s PRO 57 N 1.35 2.55 0.00 1.67 0.04 -1.26 -3.07 135.00 136.27 1wyn s PRO 57 Ca 0.06 -0.47 0.00 0.00 0.04 0.00 0.00 61.00 60.63 1wyn s PRO 57 Cb -0.15 -5.10 0.00 0.00 0.04 0.00 0.00 34.50 29.29 1wyn s PRO 57 CO 0.06 -3.50 0.00 0.41 0.04 0.00 0.00 177.00 174.01 1wyn n GLY 58 N 6.64 0.74 0.00 0.56 0.00 -1.26 -5.09 105.19 106.79 1wyn n GLY 58 Ca 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.43 1wyn n GLY 58 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wyn h SER 59 N 0.00 0.00 -3.35 1.61 4.64 -1.85 -3.47 113.55 111.13 1wyn h SER 59 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 1wyn h SER 59 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.02 1wyn h SER 59 CO 0.00 0.05 -0.02 -0.69 -0.87 0.00 0.00 176.83 175.30 1wyn s VAL 60 N -1.08 5.12 -0.02 0.95 1.01 -1.26 -4.90 120.40 120.21 1wyn s VAL 60 Ca -0.01 1.16 -0.25 0.00 0.00 0.00 0.00 61.98 62.88 1wyn s VAL 60 Cb 0.00 -3.91 -0.19 0.00 0.00 0.00 0.00 36.38 32.27 1wyn s VAL 60 CO 0.01 0.27 1.21 1.55 0.00 0.00 0.00 175.10 178.15 1wyn h PRO 61 N 6.84 -0.08 -3.28 2.72 0.13 -1.97 -3.48 132.00 132.89 1wyn h PRO 61 Ca -0.40 0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.66 1wyn h PRO 61 Cb 1.18 0.02 -0.16 0.00 0.13 0.00 0.00 31.00 32.17 1wyn h PRO 61 CO 0.76 0.38 -0.19 0.21 -0.23 0.00 0.00 178.00 178.93 1wyn s LYS 62 N -4.20 0.89 -0.12 0.86 2.20 -1.26 -5.16 119.74 112.95 1wyn s LYS 62 Ca -0.15 -0.53 0.01 0.00 -0.36 0.00 0.00 55.97 54.93 1wyn s LYS 62 Cb 0.02 0.39 -0.01 0.00 -1.51 0.00 0.00 37.83 36.71 1wyn s LYS 62 CO 0.63 -0.30 -0.16 0.42 -0.36 0.00 0.00 175.35 175.58 1wyn s ILE 63 N -2.84 2.79 -0.78 5.43 1.01 -1.26 -4.94 121.20 120.61 1wyn s ILE 63 Ca -0.03 -0.75 -0.18 0.00 0.00 0.00 0.00 60.65 59.68 1wyn s ILE 63 Cb 0.00 -2.15 0.14 0.00 0.01 0.00 0.00 42.46 40.46 1wyn s ILE 63 CO -0.05 0.53 0.91 0.20 0.00 0.00 0.00 174.94 176.53 1wyn s ASN 64 N 0.37 6.48 -0.31 3.58 0.01 -1.26 -4.90 114.94 118.91 1wyn s ASN 64 Ca -0.13 -1.90 -0.02 0.00 -0.71 0.00 0.00 52.86 50.11 1wyn s ASN 64 Cb -0.16 -2.33 0.14 0.00 0.41 0.00 0.00 41.25 39.31 1wyn s ASN 64 CO 0.06 -1.01 2.27 0.54 -1.51 0.00 0.00 177.10 177.45 1wyn n ARG 65 N 6.05 1.90 -3.61 -0.60 1.74 -1.26 -4.54 116.66 116.33 1wyn n ARG 65 Ca 0.09 -1.62 -0.23 0.00 -0.77 0.00 0.00 57.85 55.32 1wyn n ARG 65 Cb 0.46 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 1wyn n ARG 65 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1wyn s SER 66 N 0.42 4.85 0.11 0.55 0.01 -1.26 -5.04 113.70 113.33 1wyn s SER 66 Ca 0.37 -1.03 0.16 0.00 1.31 0.00 0.00 55.95 56.76 1wyn s SER 66 Cb 0.26 0.14 -0.10 0.00 0.21 0.00 0.00 66.02 66.53 1wyn s SER 66 CO -0.05 -1.04 0.97 0.00 0.41 0.00 0.00 173.24 173.53 1wyn h MET 67 N 0.69 0.00 -6.26 12.44 -0.00 -2.00 -3.43 114.93 116.38 1wyn h MET 67 Ca -0.36 0.00 -0.67 0.00 -0.00 0.00 0.00 59.70 58.66 1wyn h MET 67 Cb 1.29 0.00 0.08 0.00 -0.00 0.00 0.00 31.60 32.97 1wyn h MET 67 CO 0.53 0.37 0.20 1.04 -0.00 0.00 0.00 176.91 179.05 1wyn n GLN 68 N -2.98 0.92 0.48 -0.10 3.00 -1.26 -4.81 117.38 112.63 1wyn n GLN 68 Ca -0.07 0.33 -0.19 0.00 -0.01 0.00 0.00 57.00 57.06 1wyn n GLN 68 Cb 0.83 -1.80 -0.09 0.00 0.00 0.00 0.00 30.24 29.17 1wyn n GLN 68 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.06 176.09 1wyn h ASN 69 N 3.25 -1.05 -1.17 1.08 -1.24 -1.99 -0.92 115.58 113.54 1wyn h ASN 69 Ca -0.43 0.03 0.33 0.00 0.71 0.00 0.00 56.30 56.94 1wyn h ASN 69 Cb 1.36 0.27 -0.08 0.00 0.73 0.00 0.00 38.32 40.60 1wyn h ASN 69 CO 0.69 -0.71 0.79 4.11 -1.29 0.00 0.00 177.43 181.02 1wyn h TRP 70 N -1.32 0.40 -0.08 0.67 0.09 -2.00 0.22 115.95 113.95 1wyn h TRP 70 Ca -0.13 0.01 -0.08 0.00 0.09 0.00 0.00 58.89 58.79 1wyn h TRP 70 Cb 0.95 -0.11 0.00 0.00 0.08 0.00 0.00 29.16 30.08 1wyn h TRP 70 CO -0.00 -0.01 -0.27 0.45 0.09 0.00 0.00 178.44 178.70 1wyn h HIS 71 N 0.20 0.41 -0.78 0.12 3.86 -1.85 -2.26 115.15 114.86 1wyn h HIS 71 Ca 0.64 -0.17 -0.00 0.00 -1.16 0.00 0.00 60.37 59.67 1wyn h HIS 71 Cb 2.02 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 30.38 1wyn h HIS 71 CO -0.00 0.88 0.48 1.96 0.86 0.00 0.00 177.93 182.11 1wyn h GLN 72 N -0.17 1.04 0.04 2.45 4.20 0.77 -2.88 115.11 120.56 1wyn h GLN 72 Ca -0.01 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 1wyn h GLN 72 Cb 0.90 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1wyn h GLN 72 CO 0.06 0.72 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.85 1wyn h LEU 73 N 1.07 -0.04 -1.17 1.46 -0.00 -1.04 -3.07 115.31 112.50 1wyn h LEU 73 Ca 0.28 -0.37 0.36 0.00 -0.00 0.00 0.00 57.88 58.15 1wyn h LEU 73 Cb -0.06 0.01 -0.14 0.00 -0.00 0.00 0.00 40.66 40.47 1wyn h LEU 73 CO -0.05 0.35 0.66 -0.08 -0.00 0.00 0.00 178.44 179.32 1wyn h GLU 74 N -0.44 0.23 0.25 1.13 4.57 -1.19 0.30 114.58 119.42 1wyn h GLU 74 Ca -0.01 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1wyn h GLU 74 Cb 0.41 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.91 1wyn h GLU 74 CO 0.01 0.15 -0.45 -0.91 -1.18 0.00 0.00 179.01 176.63 1wyn h ASN 75 N 0.24 -1.30 0.28 1.04 2.35 -1.43 -0.79 115.58 115.98 1wyn h ASN 75 Ca 0.75 0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 56.62 1wyn h ASN 75 Cb 1.97 0.46 -0.01 0.00 0.05 0.00 0.00 38.32 40.80 1wyn h ASN 75 CO -0.52 -0.55 -0.19 -0.07 -1.65 0.00 0.00 177.43 174.45 1wyn h LEU 76 N -0.77 -0.49 -0.95 1.61 3.38 -1.06 -1.46 115.31 115.57 1wyn h LEU 76 Ca -0.01 0.03 0.28 0.00 0.09 0.00 0.00 57.88 58.27 1wyn h LEU 76 Cb 0.74 0.15 -0.14 0.00 0.09 0.00 0.00 40.66 41.50 1wyn h LEU 76 CO -0.18 -0.31 0.42 -1.28 0.09 0.00 0.00 178.44 177.18 1wyn h SER 77 N -0.47 0.30 0.24 -0.43 0.87 -1.19 0.21 113.55 113.09 1wyn h SER 77 Ca -0.02 0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1wyn h SER 77 Cb 0.40 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1wyn h SER 77 CO 0.01 -0.12 -0.12 0.78 -0.53 0.00 0.00 176.83 176.85 1wyn h ASN 78 N 0.30 -0.28 -0.26 6.23 2.35 -0.68 -2.82 115.58 120.42 1wyn h ASN 78 Ca 0.65 -0.24 0.06 0.00 -0.55 0.00 0.00 56.30 56.22 1wyn h ASN 78 Cb 1.38 0.07 -0.07 0.00 0.05 0.00 0.00 38.32 39.76 1wyn h ASN 78 CO -0.62 0.13 -0.18 0.15 -1.65 0.00 0.00 177.43 175.27 1wyn h PHE 79 N -0.74 -0.45 -0.04 1.19 3.57 -0.05 -1.56 116.94 118.86 1wyn h PHE 79 Ca -0.03 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1wyn h PHE 79 Cb 0.50 0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.44 1wyn h PHE 79 CO 0.04 -0.25 -0.35 0.82 -2.23 0.00 0.00 178.31 176.34 1wyn h ILE 80 N -0.16 0.00 -0.94 1.41 2.04 -0.72 -1.01 117.51 118.13 1wyn h ILE 80 Ca 0.14 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.26 1wyn h ILE 80 Cb 0.38 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.32 1wyn h ILE 80 CO -0.36 0.00 0.46 0.11 0.00 0.00 0.00 178.15 178.36 1wyn h LYS 81 N -0.41 0.38 -0.82 2.37 1.79 -1.27 0.31 116.57 118.92 1wyn h LYS 81 Ca 0.01 -0.02 0.06 0.00 -2.18 0.00 0.00 60.65 58.52 1wyn h LYS 81 Cb 0.45 -0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 30.96 1wyn h LYS 81 CO -0.26 0.25 0.50 0.00 -1.08 0.00 0.00 179.45 178.87 1wyn h ALA 82 N 1.76 1.12 -0.28 3.86 0.00 -0.18 -2.42 119.26 123.12 1wyn h ALA 82 Ca 0.62 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.57 1wyn h ALA 82 Cb 1.26 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1wyn h ALA 82 CO -0.56 0.24 0.05 0.52 0.00 0.00 0.00 179.25 179.50 1wyn h MET 83 N 0.92 0.15 -1.01 0.00 2.86 0.56 -1.77 114.93 116.63 1wyn h MET 83 Ca 0.36 -0.01 0.26 0.00 -2.06 0.00 0.00 59.70 58.25 1wyn h MET 83 Cb 0.16 -0.03 -0.13 0.00 0.06 0.00 0.00 31.60 31.66 1wyn h MET 83 CO -0.17 0.10 0.60 0.28 1.06 0.00 0.00 176.91 178.77 1wyn h VAL 84 N 0.15 0.49 -0.24 -2.22 2.07 -1.22 0.10 116.25 115.38 1wyn h VAL 84 Ca 0.13 -0.18 -0.11 0.00 0.82 0.00 0.00 66.70 67.36 1wyn h VAL 84 Cb 0.14 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 29.83 1wyn h VAL 84 CO -0.18 0.10 -0.29 -1.28 0.02 0.00 0.00 177.57 175.94 1wyn h SER 85 N 0.52 0.66 -0.86 0.57 0.87 -1.29 -3.18 113.55 110.85 1wyn h SER 85 Ca 0.66 -0.49 0.22 0.00 -1.23 0.00 0.00 61.79 60.95 1wyn h SER 85 Cb 1.33 -0.19 -0.13 0.00 -0.44 0.00 0.00 62.40 62.97 1wyn h SER 85 CO -0.49 1.03 0.28 0.22 -0.53 0.00 0.00 176.83 177.33 1wyn h TYR 86 N 0.32 0.44 0.00 2.24 3.20 -0.20 -3.44 116.97 119.52 1wyn h TYR 86 Ca 0.03 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1wyn h TYR 86 Cb 0.86 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.07 1wyn h TYR 86 CO 0.08 -0.14 0.00 0.41 -1.64 0.00 0.00 178.16 176.87 1wyn n GLY 87 N -1.36 0.68 3.95 1.82 0.00 -1.05 -5.13 105.19 104.10 1wyn n GLY 87 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 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 1.52 0.32 1.61 -1.94 -1.21 -5.07 119.30 114.52 1wyn s MET 88 Ca 0.00 -0.55 0.01 0.00 -1.71 0.00 0.00 55.69 53.44 1wyn s MET 88 Cb 0.00 -2.10 -0.03 0.00 2.01 0.00 0.00 34.83 34.70 1wyn s MET 88 CO 0.00 -1.70 0.51 -0.80 -0.01 0.00 0.00 175.02 173.02 1wyn s ASN 89 N -4.71 6.31 0.00 3.03 -0.87 -1.26 -4.87 114.94 112.58 1wyn s ASN 89 Ca 0.67 0.39 0.15 0.00 -1.57 0.00 0.00 52.86 52.49 1wyn s ASN 89 Cb -0.07 -2.00 0.72 0.00 -0.02 0.00 0.00 41.25 39.88 1wyn s ASN 89 CO 0.47 -0.24 1.41 -0.81 -2.57 0.00 0.00 177.10 175.37 1wyn n PRO 90 N -1.62 0.17 0.00 -0.60 -0.04 -1.26 -2.03 135.00 129.62 1wyn n PRO 90 Ca -0.05 0.17 0.04 0.00 -0.04 0.00 0.00 63.50 63.61 1wyn n PRO 90 Cb 0.56 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.50 1wyn n PRO 90 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1wyn n VAL 91 N -1.32 0.00 -0.43 0.52 0.24 -1.26 -4.46 118.33 111.62 1wyn n VAL 91 Ca 0.06 -0.36 0.08 0.00 -2.04 0.00 0.00 64.34 62.08 1wyn n VAL 91 Cb 0.13 1.05 0.33 0.00 -1.47 0.00 0.00 33.84 33.88 1wyn n VAL 91 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1wyn n ASP 92 N -0.72 4.51 -4.92 -1.34 8.00 -0.86 -4.94 116.55 116.28 1wyn n ASP 92 Ca 0.03 -2.49 -0.21 0.00 0.71 0.00 0.00 54.79 52.82 1wyn n ASP 92 Cb 0.16 -0.57 -0.01 0.00 -0.02 0.00 0.00 41.12 40.67 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 -1.86 3.25 0.03 0.64 1.43 -1.25 -4.22 118.68 116.71 1wyn s LEU 93 Ca 0.46 -0.82 -0.02 0.00 -1.03 0.00 0.00 54.13 52.72 1wyn s LEU 93 Cb 0.31 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.61 1wyn s LEU 93 CO 0.20 -0.84 0.01 0.72 0.23 0.00 0.00 176.35 176.67 1wyn s PHE 94 N -2.54 0.31 0.44 0.29 -0.71 -1.26 -4.82 117.98 109.69 1wyn s PHE 94 Ca 0.48 -0.67 -0.15 0.00 -1.04 0.00 0.00 56.93 55.55 1wyn s PHE 94 Cb -0.04 -0.23 -0.08 0.00 -1.21 0.00 0.00 43.02 41.46 1wyn s PHE 94 CO 0.29 -0.30 0.87 -1.21 -1.34 0.00 0.00 175.22 173.53 1wyn s GLU 95 N -2.50 3.92 0.36 1.99 2.02 -1.26 -4.94 118.70 118.30 1wyn s GLU 95 Ca -0.06 0.76 0.04 0.00 0.02 0.00 0.00 54.97 55.73 1wyn s GLU 95 Cb -0.02 -2.27 0.69 0.00 0.10 0.00 0.00 34.13 32.63 1wyn s GLU 95 CO -0.05 -0.11 2.01 0.00 0.02 0.00 0.00 175.26 177.13 1wyn h ALA 96 N 1.30 1.60 -0.29 5.21 0.00 -1.94 -2.47 119.26 122.67 1wyn h ALA 96 Ca -0.47 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 1wyn h ALA 96 Cb 1.18 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1wyn h ALA 96 CO 0.63 0.35 -0.07 -2.95 0.00 0.00 0.00 179.25 177.21 1wyn h ASN 97 N 0.80 0.56 -0.82 0.00 7.08 -1.97 -1.21 115.58 120.01 1wyn h ASN 97 Ca 0.24 -0.36 0.21 0.00 -3.08 0.00 0.00 56.30 53.31 1wyn h ASN 97 Cb -0.02 -0.15 -0.15 0.00 -2.08 0.00 0.00 38.32 35.91 1wyn h ASN 97 CO -0.06 0.79 -0.04 0.47 -2.08 0.00 0.00 177.43 176.51 1wyn n ASP 98 N -4.50 -0.15 -0.08 6.14 8.00 -0.93 -0.59 116.55 124.44 1wyn n ASP 98 Ca -0.03 1.40 -0.13 0.00 0.71 0.00 0.00 54.79 56.73 1wyn n ASP 98 Cb 0.31 -0.49 -0.08 0.00 -0.02 0.00 0.00 41.12 40.85 1wyn n ASP 98 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1wyn h LEU 99 N 0.00 0.00 -0.32 0.64 5.85 -1.63 0.70 115.31 120.54 1wyn h LEU 99 Ca 0.47 -0.37 0.03 0.00 0.84 0.00 0.00 57.88 58.85 1wyn h LEU 99 Cb 0.92 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 1wyn h LEU 99 CO -0.79 1.10 -0.19 0.33 -0.34 0.00 0.00 178.44 178.55 1wyn n PHE 100 N -4.55 -0.14 -1.37 1.25 7.35 -0.46 -0.93 117.46 118.61 1wyn n PHE 100 Ca -0.18 0.41 -0.33 0.00 -0.76 0.00 0.00 57.45 56.58 1wyn n PHE 100 Cb 0.46 -0.52 0.09 0.00 0.35 0.00 0.00 39.48 39.85 1wyn n PHE 100 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1wyn n GLU 101 N -3.73 2.71 -1.76 -4.13 -0.58 0.24 -4.87 120.64 108.52 1wyn n GLU 101 Ca 0.01 -3.33 -0.00 0.00 -0.42 0.00 0.00 57.16 53.42 1wyn n GLU 101 Cb 0.08 -2.27 -0.00 0.00 -0.57 0.00 0.00 31.44 28.68 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 -0.93 -0.52 0.16 1.62 3.41 -0.10 -4.66 113.62 112.60 1wyn n SER 102 Ca 0.61 0.25 0.08 0.00 -0.26 0.00 0.00 58.87 59.56 1wyn n SER 102 Cb 0.77 -0.76 0.45 0.00 -0.26 0.00 0.00 64.21 64.40 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 -0.26 -0.72 3.19 5.00 0.00 0.20 -4.38 105.19 108.23 1wyn n GLY 103 Ca -0.00 0.15 0.05 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.30 0.00 1.61 3.84 0.11 -4.77 114.94 111.77 1wyn s ASN 104 Ca -0.02 0.26 0.19 0.00 0.21 0.00 0.00 52.86 53.51 1wyn s ASN 104 Cb 0.05 1.28 -0.06 0.00 -0.55 0.00 0.00 41.25 41.97 1wyn s ASN 104 CO 0.15 -0.06 0.94 0.23 -2.79 0.00 0.00 177.10 175.57 1wyn n MET 105 N 5.22 1.25 0.01 0.43 2.81 -1.26 -4.06 117.12 121.53 1wyn n MET 105 Ca -0.08 -0.67 -0.22 0.00 -1.81 0.00 0.00 57.70 54.93 1wyn n MET 105 Cb 0.54 -1.39 -0.14 0.00 -0.71 0.00 0.00 33.22 31.52 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 1.57 0.80 -0.18 2.03 1.35 -1.96 -3.05 112.91 113.48 1wyn h THR 106 Ca 0.00 -2.38 -0.11 0.00 -0.55 0.00 0.00 66.41 63.38 1wyn h THR 106 Cb 0.61 2.58 -0.01 0.00 -1.73 0.00 0.00 68.15 69.60 1wyn h THR 106 CO 0.00 0.80 -0.36 -0.61 -0.25 0.00 0.00 175.52 175.10 1wyn h GLN 107 N -0.09 0.37 0.01 4.72 5.75 -1.80 -2.50 115.11 121.58 1wyn h GLN 107 Ca -0.38 -0.17 -0.21 0.00 -0.15 0.00 0.00 58.65 57.75 1wyn h GLN 107 Cb 1.93 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 30.47 1wyn h GLN 107 CO 0.08 0.69 -0.93 0.28 -2.65 0.00 0.00 178.83 176.29 1wyn h VAL 108 N 0.32 1.47 0.57 2.39 2.07 -1.72 -2.86 116.25 118.50 1wyn h VAL 108 Ca 0.04 -2.63 -0.03 0.00 0.82 0.00 0.00 66.70 64.90 1wyn h VAL 108 Cb 0.78 2.50 0.01 0.00 -1.52 0.00 0.00 31.29 33.06 1wyn h VAL 108 CO 0.06 0.77 -0.28 -0.61 0.02 0.00 0.00 177.57 177.54 1wyn h GLN 109 N 0.14 -0.74 -0.71 1.57 4.15 -1.40 -3.07 115.11 115.04 1wyn h GLN 109 Ca -0.06 0.05 0.08 0.00 0.77 0.00 0.00 58.65 59.49 1wyn h GLN 109 Cb 1.57 0.17 -0.05 0.00 0.21 0.00 0.00 27.48 29.39 1wyn h GLN 109 CO 0.15 -0.43 0.47 -0.39 -1.93 0.00 0.00 178.83 176.69 1wyn h VAL 110 N -1.03 0.96 -0.91 2.39 -1.51 -1.57 -1.45 116.25 113.13 1wyn h VAL 110 Ca -0.08 -0.22 0.13 0.00 -1.23 0.00 0.00 66.70 65.30 1wyn h VAL 110 Cb 0.65 0.26 -0.09 0.00 -2.13 0.00 0.00 31.29 29.99 1wyn h VAL 110 CO 0.13 0.12 0.53 -1.28 -1.23 0.00 0.00 177.57 175.83 1wyn h SER 111 N 0.65 0.72 0.00 4.19 0.87 -1.42 0.12 113.55 118.68 1wyn h SER 111 Ca 0.32 0.07 -0.21 0.00 -1.23 0.00 0.00 61.79 60.73 1wyn h SER 111 Cb 0.39 -0.07 0.02 0.00 -0.44 0.00 0.00 62.40 62.30 1wyn h SER 111 CO -0.11 0.36 -0.84 -0.07 -0.53 0.00 0.00 176.83 175.64 1wyn h LEU 112 N 0.80 0.73 -2.21 2.23 3.38 -1.20 -1.35 115.31 117.70 1wyn h LEU 112 Ca 0.47 -0.75 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1wyn h LEU 112 Cb 0.54 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1wyn h LEU 112 CO -0.30 1.39 -0.05 -0.07 0.09 0.00 0.00 178.44 179.51 1wyn h LEU 113 N 0.15 0.00 0.09 1.67 3.38 -0.75 0.74 115.31 120.59 1wyn h LEU 113 Ca -0.11 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.57 1wyn h LEU 113 Cb 1.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 1wyn h LEU 113 CO 0.17 0.05 -1.57 0.00 0.09 0.00 0.00 178.44 177.17 1wyn h ALA 114 N 1.95 0.28 -0.45 1.53 0.00 -0.77 -3.18 119.26 118.62 1wyn h ALA 114 Ca -0.00 -1.21 -0.06 0.00 0.00 0.00 0.00 54.91 53.64 1wyn h ALA 114 Cb 0.11 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1wyn h ALA 114 CO 0.01 0.96 0.05 1.25 0.00 0.00 0.00 179.25 181.52 1wyn h LEU 115 N -0.33 0.66 -0.02 0.00 5.85 -0.95 -3.02 115.31 117.50 1wyn h LEU 115 Ca -0.35 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.23 1wyn h LEU 115 Cb 1.75 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.61 1wyn h LEU 115 CO 0.01 0.70 -0.01 0.00 -0.34 0.00 0.00 178.44 178.80 1wyn h ALA 116 N 1.39 0.02 -0.99 1.25 0.00 -1.02 -1.78 119.26 118.13 1wyn h ALA 116 Ca 0.14 -0.22 0.25 0.00 0.00 0.00 0.00 54.91 55.08 1wyn h ALA 116 Cb 0.34 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.00 1wyn h ALA 116 CO 0.01 -0.25 0.56 0.78 0.00 0.00 0.00 179.25 180.35 1wyn h GLY 117 N -0.38 1.86 1.20 0.00 0.00 -1.51 0.52 103.07 104.76 1wyn h GLY 117 Ca 0.00 -0.28 -0.28 0.00 0.00 0.00 0.00 47.33 46.77 1wyn h GLY 117 CO 0.00 -0.27 -1.12 1.70 0.00 0.00 0.00 176.54 176.86 1wyn h LYS 118 N 0.53 0.67 0.00 4.80 3.64 -1.50 -3.22 116.57 121.49 1wyn h LYS 118 Ca 0.64 -0.79 -0.05 0.00 -1.27 0.00 0.00 60.65 59.18 1wyn h LYS 118 Cb 1.23 0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 33.28 1wyn h LYS 118 CO -0.49 1.35 -0.24 0.00 -2.27 0.00 0.00 179.45 177.80 1wyn h ALA 119 N 0.35 1.30 0.00 5.00 0.00 -0.07 -2.66 119.26 123.19 1wyn h ALA 119 Ca -0.15 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1wyn h ALA 119 Cb 1.78 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1wyn h ALA 119 CO 0.22 0.30 0.39 0.87 0.00 0.00 0.00 179.25 181.02 1wyn h LYS 120 N 0.00 0.00 -0.19 0.00 1.79 -0.07 -0.64 116.57 117.47 1wyn h LYS 120 Ca -0.00 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.52 1wyn h LYS 120 Cb 0.52 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.17 1wyn h LYS 120 CO 0.03 0.00 0.45 0.00 -1.08 0.00 0.00 179.45 178.85 1wyn h THR 121 N 0.00 0.13 -0.15 -0.16 1.03 -1.66 0.17 112.91 112.27 1wyn h THR 121 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.38 1wyn h THR 121 Cb 0.78 0.59 -0.01 0.00 -1.07 0.00 0.00 68.15 68.45 1wyn h THR 121 CO 0.00 0.00 0.00 0.11 -0.01 0.00 0.00 175.52 175.62 1wyn h LYS 122 N 0.00 0.26 -2.22 0.00 6.56 -1.38 -3.34 116.57 116.45 1wyn h LYS 122 Ca 0.09 -0.08 -0.58 0.00 -1.06 0.00 0.00 60.65 59.02 1wyn h LYS 122 Cb 0.99 -0.02 -0.42 0.00 -0.57 0.00 0.00 32.23 32.21 1wyn h LYS 122 CO -0.00 0.48 -0.73 0.41 -2.06 0.00 0.00 179.45 177.56 1wyn n GLY 123 N -0.31 5.06 2.65 3.86 0.00 0.02 -5.09 105.19 111.37 1wyn n GLY 123 Ca -0.05 -2.58 -0.14 0.00 0.00 0.00 0.00 46.02 43.25 1wyn n GLY 123 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wyn n LEU 124 N 0.12 0.00 -3.07 0.99 4.77 -1.04 -4.23 117.00 114.55 1wyn n LEU 124 Ca 0.30 -0.39 -0.16 0.00 -0.03 0.00 0.00 56.01 55.73 1wyn n LEU 124 Cb 0.44 -0.67 0.07 0.00 -2.33 0.00 0.00 43.42 40.93 1wyn n LEU 124 CO 0.33 -2.30 0.12 1.67 -1.33 0.00 0.00 177.39 175.88 1wyn n GLN 125 N -1.33 -5.90 -3.83 3.23 7.27 -1.26 -5.00 117.38 110.56 1wyn n GLN 125 Ca 0.06 0.71 -0.06 0.00 0.07 0.00 0.00 57.00 57.79 1wyn n GLN 125 Cb 0.27 -5.34 0.01 0.00 2.41 0.00 0.00 30.24 27.58 1wyn n GLN 125 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1wyn s SER 126 N -3.91 -0.06 0.36 1.69 0.15 -1.26 -5.16 113.70 105.52 1wyn s SER 126 Ca 0.13 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 56.01 1wyn s SER 126 Cb -0.06 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 1wyn s SER 126 CO 0.62 -1.25 0.00 0.61 1.20 0.00 0.00 173.24 174.41 1wyn n GLY 127 N -0.57 -3.43 3.05 9.45 0.00 -1.26 -5.03 105.19 107.39 1wyn n GLY 127 Ca -0.05 -1.08 -0.15 0.00 0.00 0.00 0.00 46.02 44.73 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 -4.56 0.61 -0.18 1.61 1.01 -1.26 -5.15 120.40 112.48 1wyn s VAL 128 Ca 0.00 -0.81 -0.12 0.00 0.00 0.00 0.00 61.98 61.06 1wyn s VAL 128 Cb 0.00 -0.61 0.06 0.00 0.00 0.00 0.00 36.38 35.83 1wyn s VAL 128 CO 0.00 -0.16 0.45 1.51 0.00 0.00 0.00 175.10 176.90 1wyn s ASP 129 N -1.06 -0.55 -0.60 3.32 -4.77 -1.26 -5.09 116.67 106.67 1wyn s ASP 129 Ca -0.04 0.96 0.06 0.00 -3.30 0.00 0.00 52.55 50.23 1wyn s ASP 129 Cb -0.07 0.88 0.23 0.00 -1.09 0.00 0.00 42.92 42.87 1wyn s ASP 129 CO 0.00 -0.19 0.65 -0.38 0.70 0.00 0.00 175.17 175.96 1wyn n ILE 130 N 3.83 1.54 0.00 2.11 5.41 -1.26 -4.96 119.36 126.03 1wyn n ILE 130 Ca -0.20 -4.87 0.00 0.00 1.00 0.00 0.00 62.75 58.68 1wyn n ILE 130 Cb 0.56 -2.07 0.00 0.00 -0.71 0.00 0.00 39.64 37.42 1wyn n ILE 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1wyn n GLY 131 N 1.21 0.83 2.83 7.39 0.00 -1.25 -5.00 105.19 111.21 1wyn n GLY 131 Ca 0.27 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.04 -2.87 -4.29 1.61 0.31 -1.23 -5.01 118.33 105.81 1wyn n VAL 132 Ca 0.00 -0.14 -0.16 0.00 -0.01 0.00 0.00 64.34 64.04 1wyn n VAL 132 Cb 0.00 -3.61 -0.10 0.00 -0.91 0.00 0.00 33.84 29.22 1wyn n VAL 132 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1wyn s LYS 133 N -5.52 1.19 -0.00 5.55 2.20 -1.26 -5.14 119.74 116.77 1wyn s LYS 133 Ca 0.24 -1.55 -0.03 0.00 -0.36 0.00 0.00 55.97 54.27 1wyn s LYS 133 Cb -0.11 -0.67 -0.00 0.00 -1.51 0.00 0.00 37.83 35.54 1wyn s LYS 133 CO 0.50 0.02 0.05 1.52 -0.36 0.00 0.00 175.35 177.08 1wyn s TYR 134 N -3.33 0.08 0.38 4.03 1.13 -1.26 -4.78 117.35 113.60 1wyn s TYR 134 Ca 0.22 -0.16 -0.08 0.00 -1.41 0.00 0.00 57.07 55.63 1wyn s TYR 134 Cb 0.03 -0.07 0.03 0.00 -1.10 0.00 0.00 41.96 40.86 1wyn s TYR 134 CO 0.04 -0.16 0.65 0.45 -2.51 0.00 0.00 175.55 174.02 1wyn n SER 135 N 2.06 -1.86 -4.82 -0.18 2.88 -1.26 -5.13 113.62 105.32 1wyn n SER 135 Ca -0.20 -2.78 -0.38 0.00 -1.33 0.00 0.00 58.87 54.19 1wyn n SER 135 Cb 0.57 3.24 -0.06 0.00 -0.75 0.00 0.00 64.21 67.21 1wyn n SER 135 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1wyn s GLU 136 N -2.46 4.17 0.32 -1.46 -6.30 -1.26 -5.08 118.70 106.64 1wyn s GLU 136 Ca 0.23 0.71 0.04 0.00 -2.50 0.00 0.00 54.97 53.46 1wyn s GLU 136 Cb -0.03 -3.14 -0.02 0.00 0.00 0.00 0.00 34.13 30.94 1wyn s GLU 136 CO 0.17 0.58 0.32 0.15 0.02 0.00 0.00 175.26 176.49 1wyn s LYS 137 N -1.38 1.76 -0.17 4.30 1.02 -1.26 -5.18 119.74 118.83 1wyn s LYS 137 Ca 0.32 -1.93 -0.30 0.00 0.02 0.00 0.00 55.97 54.08 1wyn s LYS 137 Cb -0.18 0.35 0.14 0.00 -0.52 0.00 0.00 37.83 37.61 1wyn s LYS 137 CO 0.20 -0.67 1.06 -1.14 -0.92 0.00 0.00 175.35 173.88 1wyn s GLN 138 N -3.40 0.51 -0.28 1.68 0.74 -1.26 -5.18 119.66 112.47 1wyn s GLN 138 Ca 0.38 0.06 -0.22 0.00 0.05 0.00 0.00 55.36 55.64 1wyn s GLN 138 Cb 0.02 0.24 0.12 0.00 1.10 0.00 0.00 33.01 34.48 1wyn s GLN 138 CO 0.25 -0.17 0.93 -2.00 -0.55 0.00 0.00 175.29 173.75 1wyn s GLU 139 N -1.37 0.54 -0.03 1.67 2.12 -1.26 -5.10 118.70 115.27 1wyn s GLU 139 Ca 0.01 0.75 -0.05 0.00 0.36 0.00 0.00 54.97 56.04 1wyn s GLU 139 Cb -0.01 0.21 0.01 0.00 0.26 0.00 0.00 34.13 34.60 1wyn s GLU 139 CO -0.01 -0.08 0.12 -0.98 -0.54 0.00 0.00 175.26 173.76 1wyn s ARG 140 N 0.69 0.24 0.03 4.30 1.70 -1.26 -5.16 118.95 119.49 1wyn s ARG 140 Ca -0.02 -0.02 0.03 0.00 -0.47 0.00 0.00 55.73 55.25 1wyn s ARG 140 Cb -0.05 0.10 -0.02 0.00 -0.57 0.00 0.00 34.95 34.42 1wyn s ARG 140 CO -0.09 -0.04 -0.11 0.45 -1.08 0.00 0.00 175.30 174.43 1wyn s SER 141 N -0.39 1.23 0.00 -2.89 0.15 -1.26 -5.15 113.70 105.39 1wyn s SER 141 Ca -0.05 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.21 1wyn s SER 141 Cb -0.03 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 1wyn s SER 141 CO 0.00 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.04 1wyn n GLY 142 N 2.05 -1.09 0.00 9.45 0.00 -1.26 -4.71 105.19 109.63 1wyn n GLY 142 Ca -0.18 -0.56 0.08 0.00 0.00 0.00 0.00 46.02 45.36 1wyn n GLY 142 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wyn n PRO 143 N 0.00 0.43 -1.21 1.61 -0.04 -1.26 -4.87 135.00 129.66 1wyn n PRO 143 Ca 0.00 0.03 -0.48 0.00 -0.04 0.00 0.00 63.50 63.01 1wyn n PRO 143 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 1wyn n PRO 143 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wyn n SER 144 N -1.06 0.82 -4.62 3.54 2.88 -1.26 -4.90 113.62 109.02 1wyn n SER 144 Ca 0.11 0.80 -0.27 0.00 -1.33 0.00 0.00 58.87 58.18 1wyn n SER 144 Cb 0.07 -0.64 0.12 0.00 -0.75 0.00 0.00 64.21 63.00 1wyn n SER 144 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wyn s SER 145 N 2.55 4.15 0.00 -3.46 0.15 -1.26 -5.10 113.70 110.73 1wyn s SER 145 Ca 0.78 0.24 0.00 0.00 0.70 0.00 0.00 55.95 57.67 1wyn s SER 145 Cb -1.09 -0.62 0.00 0.00 -1.71 0.00 0.00 66.02 62.60 1wyn s SER 145 CO 0.58 -2.04 0.00 0.61 1.20 0.00 0.00 173.24 173.59