#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wyn s SER 2 N 0.00 6.32 -0.41 1.61 0.15 -1.26 -5.03 113.70 115.08 1wyn s SER 2 Ca 0.00 0.21 -0.28 0.00 0.70 0.00 0.00 55.95 56.58 1wyn s SER 2 Cb 0.00 -1.93 -0.01 0.00 -1.71 0.00 0.00 66.02 62.38 1wyn s SER 2 CO 0.00 -0.13 1.68 -0.44 1.20 0.00 0.00 173.24 175.55 1wyn s SER 3 N -3.92 5.92 0.00 5.45 0.01 -1.26 -4.54 113.70 115.36 1wyn s SER 3 Ca 0.36 0.95 0.00 0.00 1.31 0.00 0.00 55.95 58.57 1wyn s SER 3 Cb -0.09 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.60 1wyn s SER 3 CO 0.31 -1.74 0.00 0.61 0.41 0.00 0.00 173.24 172.83 1wyn n GLY 4 N 5.37 -0.15 4.00 3.44 0.00 -1.26 -5.18 105.19 111.41 1wyn n GLY 4 Ca 0.20 0.05 -0.21 0.00 0.00 0.00 0.00 46.02 46.06 1wyn n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wyn s SER 5 N 0.00 5.02 0.32 1.61 0.01 -1.26 -5.13 113.70 114.27 1wyn s SER 5 Ca 0.00 -0.37 -0.03 0.00 1.31 0.00 0.00 55.95 56.86 1wyn s SER 5 Cb 0.00 -0.32 -0.00 0.00 0.21 0.00 0.00 66.02 65.91 1wyn s SER 5 CO 0.00 -1.34 0.44 -0.55 0.41 0.00 0.00 173.24 172.20 1wyn s SER 6 N -4.56 0.83 0.30 2.44 0.15 -1.26 -5.14 113.70 106.45 1wyn s SER 6 Ca 0.61 -1.45 -0.29 0.00 0.70 0.00 0.00 55.95 55.52 1wyn s SER 6 Cb -0.08 0.63 -0.10 0.00 -1.71 0.00 0.00 66.02 64.76 1wyn s SER 6 CO 0.39 -1.24 1.24 -0.83 1.20 0.00 0.00 173.24 174.01 1wyn s GLY 7 N -3.22 2.95 -0.14 9.45 0.00 -1.26 -5.03 107.32 110.07 1wyn s GLY 7 Ca 0.31 1.13 -0.02 0.00 0.00 0.00 0.00 44.72 46.13 1wyn s GLY 7 CO 0.19 1.80 0.03 -1.31 0.00 0.00 0.00 173.10 173.81 1wyn s ASN 8 N -0.50 2.34 -0.16 1.64 0.01 -1.26 -5.02 114.94 111.98 1wyn s ASN 8 Ca 0.48 -0.52 -0.03 0.00 -0.71 0.00 0.00 52.86 52.09 1wyn s ASN 8 Cb -0.37 -0.50 -0.02 0.00 0.41 0.00 0.00 41.25 40.77 1wyn s ASN 8 CO 0.47 -0.27 2.64 0.54 -1.51 0.00 0.00 177.10 178.98 1wyn n ARG 9 N 5.11 1.76 -3.67 -0.60 5.12 -1.26 -4.78 116.66 118.34 1wyn n ARG 9 Ca -0.08 -1.12 -0.13 0.00 -1.93 0.00 0.00 57.85 54.59 1wyn n ARG 9 Cb 0.48 -1.67 -0.08 0.00 -1.16 0.00 0.00 32.46 30.04 1wyn n ARG 9 CO 0.00 0.00 0.00 -0.48 -1.93 0.00 0.00 177.63 175.22 1wyn s LEU 10 N -0.85 -0.33 -0.49 0.55 0.05 -1.26 -5.04 118.68 111.30 1wyn s LEU 10 Ca 0.39 1.21 0.03 0.00 0.05 0.00 0.00 54.13 55.80 1wyn s LEU 10 Cb 0.23 2.02 0.52 0.00 -2.05 0.00 0.00 46.19 46.90 1wyn s LEU 10 CO -0.05 -0.21 1.78 0.18 -0.55 0.00 0.00 176.35 177.50 1wyn n LEU 11 N 3.09 6.40 -3.66 1.48 4.32 -1.26 -4.89 117.00 122.47 1wyn n LEU 11 Ca -0.15 -4.10 -0.08 0.00 -0.02 0.00 0.00 56.01 51.66 1wyn n LEU 11 Cb 0.56 -0.79 -0.09 0.00 -1.62 0.00 0.00 43.42 41.49 1wyn n LEU 11 CO 0.06 1.43 0.09 -0.44 -1.22 0.00 0.00 177.39 177.31 1wyn s SER 12 N -2.10 -0.50 0.00 -1.43 0.01 -1.26 -5.01 113.70 103.41 1wyn s SER 12 Ca 0.57 1.10 0.28 0.00 1.31 0.00 0.00 55.95 59.22 1wyn s SER 12 Cb 0.47 1.39 1.05 0.00 0.21 0.00 0.00 66.02 69.15 1wyn s SER 12 CO 0.03 -0.22 1.78 0.29 0.41 0.00 0.00 173.24 175.53 1wyn n LYS 13 N 5.11 0.15 -0.91 12.44 5.02 -1.26 -4.94 118.16 133.76 1wyn n LYS 13 Ca -0.13 -0.04 -0.34 0.00 -2.02 0.00 0.00 58.31 55.78 1wyn n LYS 13 Cb 0.51 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.99 1wyn n LYS 13 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1wyn n TYR 14 N -1.39 0.03 -3.78 2.13 4.19 -1.26 -4.96 117.16 112.13 1wyn n TYR 14 Ca 0.08 0.64 -0.13 0.00 3.31 0.00 0.00 57.90 61.81 1wyn n TYR 14 Cb 0.32 -1.28 -0.11 0.00 0.49 0.00 0.00 39.34 38.77 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 -0.33 -0.28 0.00 2.98 2.15 -1.26 -5.02 116.67 114.90 1wyn s ASP 15 Ca 0.48 0.51 0.14 0.00 0.43 0.00 0.00 52.55 54.11 1wyn s ASP 15 Cb -0.69 0.55 0.66 0.00 -0.30 0.00 0.00 42.92 43.14 1wyn s ASP 15 CO 0.36 -0.15 1.44 -0.81 -0.17 0.00 0.00 175.17 175.84 1wyn n PRO 16 N 2.69 0.08 -0.09 4.34 -0.04 -1.26 -2.37 135.00 138.34 1wyn n PRO 16 Ca -0.14 0.22 -0.12 0.00 -0.04 0.00 0.00 63.50 63.42 1wyn n PRO 16 Cb 0.58 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.42 0.89 -0.11 0.54 10.64 -1.26 -4.55 117.38 122.10 1wyn n GLN 17 Ca 0.05 0.06 -0.11 0.00 -1.83 0.00 0.00 57.00 55.17 1wyn n GLN 17 Cb 0.15 -1.41 -0.03 0.00 -0.86 0.00 0.00 30.24 28.09 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 0.66 -1.25 2.61 1.79 -1.93 -2.98 116.57 115.47 1wyn h LYS 18 Ca -0.45 -0.26 0.39 0.00 -2.18 0.00 0.00 60.65 58.15 1wyn h LYS 18 Cb 1.83 -0.03 -0.12 0.00 -1.58 0.00 0.00 32.23 32.33 1wyn h LYS 18 CO -0.03 0.84 0.81 1.49 -1.08 0.00 0.00 179.45 181.48 1wyn h GLU 19 N 0.44 0.15 -0.19 3.15 4.81 -1.71 0.99 114.58 122.22 1wyn h GLU 19 Ca 0.08 -0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.12 1wyn h GLU 19 Cb 0.61 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 1wyn h GLU 19 CO 0.04 0.10 -0.62 0.00 -0.73 0.00 0.00 179.01 177.79 1wyn h ALA 20 N 1.60 0.53 -0.49 2.92 0.00 -1.77 -3.00 119.26 119.05 1wyn h ALA 20 Ca 0.76 -0.55 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1wyn h ALA 20 Cb 2.32 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 20.02 1wyn h ALA 20 CO -0.38 0.70 0.33 0.93 0.00 0.00 0.00 179.25 180.82 1wyn h GLU 21 N 0.50 0.64 0.28 0.00 5.08 0.99 -0.79 114.58 121.28 1wyn h GLU 21 Ca -0.01 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1wyn h GLU 21 Cb 1.21 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1wyn h GLU 21 CO 0.12 0.43 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.36 1wyn h LEU 22 N 0.66 -0.32 -1.26 1.33 3.38 -1.34 -1.77 115.31 115.99 1wyn h LEU 22 Ca 0.18 0.01 0.25 0.00 0.09 0.00 0.00 57.88 58.41 1wyn h LEU 22 Cb -0.07 0.08 -0.10 0.00 0.09 0.00 0.00 40.66 40.66 1wyn h LEU 22 CO -0.04 -0.12 0.64 0.08 0.09 0.00 0.00 178.44 179.09 1wyn h ARG 23 N -0.60 0.47 0.00 1.13 0.11 -1.50 0.65 114.38 114.64 1wyn h ARG 23 Ca -0.04 -0.03 -0.09 0.00 0.10 0.00 0.00 59.98 59.92 1wyn h ARG 23 Cb 0.29 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 31.25 1wyn h ARG 23 CO 0.06 0.31 -0.45 1.15 0.10 0.00 0.00 179.97 181.14 1wyn h THR 24 N 0.49 1.25 0.00 0.08 2.02 -1.17 0.17 112.91 115.74 1wyn h THR 24 Ca 0.59 -1.59 -0.17 0.00 0.77 0.00 0.00 66.41 66.01 1wyn h THR 24 Cb 1.33 1.87 -0.03 0.00 -1.74 0.00 0.00 68.15 69.59 1wyn h THR 24 CO -0.33 0.44 -1.04 -0.25 0.37 0.00 0.00 175.52 174.71 1wyn h TRP 25 N 0.00 0.00 0.00 3.16 7.01 0.11 -3.31 115.95 122.92 1wyn h TRP 25 Ca -0.00 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.96 1wyn h TRP 25 Cb 0.84 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.89 1wyn h TRP 25 CO 0.00 0.71 -0.38 0.82 -2.79 0.00 0.00 178.44 176.81 1wyn h ILE 26 N 0.00 0.36 -1.15 2.65 2.04 -0.43 -3.14 117.51 117.84 1wyn h ILE 26 Ca -0.09 -1.34 0.40 0.00 1.00 0.00 0.00 64.86 64.83 1wyn h ILE 26 Cb 1.62 0.74 -0.15 0.00 -0.74 0.00 0.00 36.82 38.30 1wyn h ILE 26 CO 0.08 0.12 0.70 -0.33 0.00 0.00 0.00 178.15 178.71 1wyn h GLU 27 N -1.00 0.13 0.01 2.37 5.08 -0.85 0.87 114.58 121.19 1wyn h GLU 27 Ca -0.05 -0.01 -0.23 0.00 -1.00 0.00 0.00 59.36 58.07 1wyn h GLU 27 Cb 0.51 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1wyn h GLU 27 CO -0.03 0.09 -0.96 0.78 -1.00 0.00 0.00 179.01 177.89 1wyn h GLY 28 N 0.14 0.43 0.66 -3.84 0.00 -1.71 0.35 103.07 99.10 1wyn h GLY 28 Ca 0.80 -0.78 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 1wyn h GLY 28 CO -0.55 0.69 -0.32 1.41 0.00 0.00 0.00 176.54 177.77 1wyn h LEU 29 N 0.21 -0.75 -0.19 3.11 3.38 0.77 -3.24 115.31 118.61 1wyn h LEU 29 Ca -0.08 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1wyn h LEU 29 Cb 1.60 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.53 1wyn h LEU 29 CO 0.16 -0.47 -0.30 0.71 0.09 0.00 0.00 178.44 178.64 1wyn h THR 30 N -1.02 0.54 -0.10 0.22 1.35 -1.42 -3.47 112.91 109.00 1wyn h THR 30 Ca -0.09 -1.66 -0.04 0.00 -0.55 0.00 0.00 66.41 64.07 1wyn h THR 30 Cb 0.68 2.18 -0.02 0.00 -1.73 0.00 0.00 68.15 69.26 1wyn h THR 30 CO 0.15 0.29 -0.04 0.61 -0.25 0.00 0.00 175.52 176.28 1wyn n GLY 31 N 1.01 0.55 4.02 5.82 0.00 0.12 -5.02 105.19 111.69 1wyn n GLY 31 Ca 0.02 -0.44 -0.19 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.49 3.29 -0.18 0.99 1.43 -1.13 -4.97 118.68 117.62 1wyn s LEU 32 Ca 0.00 -0.71 -0.04 0.00 -1.03 0.00 0.00 54.13 52.35 1wyn s LEU 32 Cb 0.00 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 1wyn s LEU 32 CO 0.00 -1.12 -0.03 -0.94 0.23 0.00 0.00 176.35 174.50 1wyn s SER 33 N -4.53 4.75 0.03 2.29 1.04 -1.26 -4.56 113.70 111.45 1wyn s SER 33 Ca 0.58 -0.18 -0.17 0.00 0.48 0.00 0.00 55.95 56.67 1wyn s SER 33 Cb -0.07 -1.79 -0.30 0.00 0.10 0.00 0.00 66.02 63.96 1wyn s SER 33 CO 0.36 0.12 1.06 0.40 0.98 0.00 0.00 173.24 176.15 1wyn h ILE 34 N 5.28 1.34 0.00 -1.02 2.04 -1.95 -3.50 117.51 119.70 1wyn h ILE 34 Ca -0.33 -2.44 0.00 0.00 1.00 0.00 0.00 64.86 63.08 1wyn h ILE 34 Cb 1.18 2.80 0.00 0.00 -0.74 0.00 0.00 36.82 40.07 1wyn h ILE 34 CO 0.62 0.73 0.00 0.61 0.00 0.00 0.00 178.15 180.11 1wyn n GLY 35 N 1.42 0.84 0.27 5.37 0.00 -1.26 -3.72 105.19 108.11 1wyn n GLY 35 Ca -0.14 -2.19 0.17 0.00 0.00 0.00 0.00 46.02 43.86 1wyn n GLY 35 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wyn h PRO 36 N 0.00 0.00 -4.40 1.61 0.13 -2.03 -3.38 132.00 123.93 1wyn h PRO 36 Ca 0.00 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.46 1wyn h PRO 36 Cb 0.00 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 30.74 1wyn h PRO 36 CO 0.00 0.00 -0.65 -0.51 -0.23 0.00 0.00 178.00 176.61 1wyn s ASP 37 N -5.55 4.83 0.13 1.44 1.11 -1.26 -4.99 116.67 112.37 1wyn s ASP 37 Ca 0.01 -2.30 -0.31 0.00 0.18 0.00 0.00 52.55 50.14 1wyn s ASP 37 Cb 0.09 -1.68 -0.08 0.00 1.07 0.00 0.00 42.92 42.31 1wyn s ASP 37 CO 0.52 -0.39 1.57 0.15 1.18 0.00 0.00 175.17 178.20 1wyn h PHE 38 N 7.51 -1.36 -0.77 4.23 3.57 -1.87 0.29 116.94 128.53 1wyn h PHE 38 Ca -0.06 0.05 0.18 0.00 3.53 0.00 0.00 57.97 61.67 1wyn h PHE 38 Cb 1.00 0.61 -0.14 0.00 2.79 0.00 0.00 35.95 40.22 1wyn h PHE 38 CO 0.50 -0.51 -0.01 0.37 -2.23 0.00 0.00 178.31 176.43 1wyn h GLN 39 N -0.54 0.08 0.17 1.11 -0.00 -1.96 -1.40 115.11 112.58 1wyn h GLN 39 Ca 0.06 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.70 1wyn h GLN 39 Cb 0.66 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 28.12 1wyn h GLN 39 CO -0.41 0.06 -0.08 0.87 0.00 0.00 0.00 178.83 179.27 1wyn h LYS 40 N 0.09 -0.22 -0.83 1.69 1.79 -1.64 1.06 116.57 118.52 1wyn h LYS 40 Ca 0.42 0.01 0.32 0.00 -2.18 0.00 0.00 60.65 59.22 1wyn h LYS 40 Cb 0.74 0.05 -0.12 0.00 -1.58 0.00 0.00 32.23 31.33 1wyn h LYS 40 CO -0.70 -0.14 0.49 0.41 -1.08 0.00 0.00 179.45 178.43 1wyn n GLY 41 N -0.12 -0.56 0.09 3.86 0.00 0.90 0.23 105.19 109.59 1wyn n GLY 41 Ca -0.03 0.56 -0.10 0.00 0.00 0.00 0.00 46.02 46.45 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 -4.39 0.86 0.00 0.99 4.77 -0.55 -4.47 117.00 114.21 1wyn n LEU 42 Ca 0.28 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1wyn n LEU 42 Cb 1.00 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 42.20 1wyn n LEU 42 CO 0.06 0.48 0.31 1.17 -1.33 0.00 0.00 177.39 178.08 1wyn n LYS 43 N -3.01 0.00 -0.44 3.23 4.81 0.62 0.18 118.16 123.55 1wyn n LYS 43 Ca -0.24 0.62 0.36 0.00 -0.87 0.00 0.00 58.31 58.19 1wyn n LYS 43 Cb 1.08 -1.00 0.65 0.00 0.02 0.00 0.00 35.03 35.78 1wyn n LYS 43 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 1wyn h ASP 44 N 0.00 0.24 -0.14 3.14 1.82 -1.79 -3.43 116.42 116.25 1wyn h ASP 44 Ca 0.00 0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.76 1wyn h ASP 44 Cb 0.00 0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.11 1wyn h ASP 44 CO 0.00 -0.14 0.00 0.61 -1.61 0.00 0.00 179.24 178.10 1wyn n GLY 45 N -1.55 0.85 0.11 -0.78 0.00 0.47 -4.41 105.19 99.89 1wyn n GLY 45 Ca 0.36 -0.61 -0.20 0.00 0.00 0.00 0.00 46.02 45.57 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 1.43 0.00 2.61 1.35 -1.78 -3.35 112.91 113.17 1wyn h THR 46 Ca 0.00 -2.51 -0.05 0.00 -0.55 0.00 0.00 66.41 63.30 1wyn h THR 46 Cb 0.72 3.12 -0.01 0.00 -1.73 0.00 0.00 68.15 70.25 1wyn h THR 46 CO 0.00 0.71 -0.36 0.40 -0.25 0.00 0.00 175.52 176.01 1wyn h ILE 47 N -0.39 0.86 -1.01 6.82 2.04 -1.89 -3.34 117.51 120.61 1wyn h ILE 47 Ca -0.17 -1.76 0.35 0.00 1.00 0.00 0.00 64.86 64.28 1wyn h ILE 47 Cb 1.64 1.74 -0.10 0.00 -0.74 0.00 0.00 36.82 39.36 1wyn h ILE 47 CO 0.13 0.29 0.65 0.18 0.00 0.00 0.00 178.15 179.40 1wyn n LEU 48 N -4.61 0.15 0.23 1.44 4.77 -1.26 0.96 117.00 118.68 1wyn n LEU 48 Ca -0.12 1.01 -0.12 0.00 -0.03 0.00 0.00 56.01 56.75 1wyn n LEU 48 Cb 0.37 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 40.90 1wyn n LEU 48 CO 0.18 -1.10 0.40 0.00 -1.33 0.00 0.00 177.39 175.54 1wyn h THR 50 N -1.04 0.66 -0.81 0.00 1.35 0.48 -1.62 112.91 111.92 1wyn h THR 50 Ca -0.06 -0.11 0.16 0.00 -0.55 0.00 0.00 66.41 65.84 1wyn h THR 50 Cb 0.57 0.29 -0.15 0.00 -1.73 0.00 0.00 68.15 67.13 1wyn h THR 50 CO 0.10 0.06 -0.22 0.25 -0.25 0.00 0.00 175.52 175.47 1wyn h LEU 51 N 0.34 -0.81 0.28 3.87 5.85 -1.27 -0.62 115.31 122.95 1wyn h LEU 51 Ca 0.35 0.25 -0.01 0.00 0.84 0.00 0.00 57.88 59.30 1wyn h LEU 51 Cb 0.51 0.52 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1wyn h LEU 51 CO -0.40 -0.27 -0.14 -0.03 -0.34 0.00 0.00 178.44 177.27 1wyn h MET 52 N -0.01 -0.36 -0.51 1.25 4.05 -1.33 -2.52 114.93 115.50 1wyn h MET 52 Ca 0.38 0.02 0.15 0.00 -0.28 0.00 0.00 59.70 59.97 1wyn h MET 52 Cb 0.59 0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.46 1wyn h MET 52 CO -0.84 -0.11 0.85 -0.91 0.23 0.00 0.00 176.91 176.14 1wyn h ASN 53 N -0.59 0.00 0.33 1.39 2.35 -0.70 1.16 115.58 119.51 1wyn h ASN 53 Ca -0.04 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.38 1wyn h ASN 53 Cb 0.43 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.81 1wyn h ASN 53 CO 0.06 0.00 -1.60 0.11 -1.65 0.00 0.00 177.43 174.35 1wyn h LYS 54 N 0.00 0.36 0.03 0.81 1.79 -0.88 -3.39 116.57 115.29 1wyn h LYS 54 Ca 0.24 -0.61 -0.00 0.00 -2.18 0.00 0.00 60.65 58.10 1wyn h LYS 54 Cb 1.94 0.23 0.00 0.00 -1.58 0.00 0.00 32.23 32.82 1wyn h LYS 54 CO -0.00 1.25 -0.01 -0.07 -1.08 0.00 0.00 179.45 179.54 1wyn h LEU 55 N 0.10 -0.03 -8.58 2.94 3.38 0.14 -3.44 115.31 109.82 1wyn h LEU 55 Ca -0.28 -0.61 -0.66 0.00 0.09 0.00 0.00 57.88 56.42 1wyn h LEU 55 Cb 2.07 0.01 -0.23 0.00 0.09 0.00 0.00 40.66 42.60 1wyn h LEU 55 CO 0.19 0.74 -0.61 -1.58 0.09 0.00 0.00 178.44 177.27 1wyn s GLN 56 N -2.37 3.47 -1.15 1.13 0.74 0.88 -5.02 119.66 117.34 1wyn s GLN 56 Ca -0.13 -0.61 -0.23 0.00 0.05 0.00 0.00 55.36 54.45 1wyn s GLN 56 Cb -0.01 -3.40 -0.08 0.00 1.10 0.00 0.00 33.01 30.61 1wyn s GLN 56 CO 0.48 -0.29 1.94 -1.25 -0.55 0.00 0.00 175.29 175.61 1wyn s PRO 57 N 1.60 2.49 0.00 1.67 0.04 -1.26 -2.60 135.00 136.94 1wyn s PRO 57 Ca 0.05 -1.07 0.00 0.00 0.04 0.00 0.00 61.00 60.02 1wyn s PRO 57 Cb -0.16 -5.22 0.00 0.00 0.04 0.00 0.00 34.50 29.16 1wyn s PRO 57 CO 0.04 -3.93 0.00 0.41 0.04 0.00 0.00 177.00 173.56 1wyn n GLY 58 N 5.92 1.46 0.00 0.56 0.00 -1.26 -5.09 105.19 106.78 1wyn n GLY 58 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1wyn n GLY 58 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wyn n SER 59 N 0.00 0.00 -4.72 1.61 3.41 -1.07 -4.85 113.62 108.00 1wyn n SER 59 Ca 0.00 0.41 -0.37 0.00 -0.26 0.00 0.00 58.87 58.66 1wyn n SER 59 Cb 0.00 -0.38 -0.07 0.00 -0.26 0.00 0.00 64.21 63.50 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 -0.87 5.29 -0.01 -3.33 1.01 -1.26 -4.91 120.40 116.30 1wyn s VAL 60 Ca 0.00 0.58 -0.25 0.00 0.00 0.00 0.00 61.98 62.31 1wyn s VAL 60 Cb 0.00 -3.65 -0.19 0.00 0.00 0.00 0.00 36.38 32.53 1wyn s VAL 60 CO 0.00 0.36 1.28 1.55 0.00 0.00 0.00 175.10 178.29 1wyn h PRO 61 N 6.82 0.05 -2.72 2.72 0.13 -1.99 -3.48 132.00 133.54 1wyn h PRO 61 Ca -0.40 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 64.64 1wyn h PRO 61 Cb 1.16 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.13 1wyn h PRO 61 CO 0.75 0.52 0.05 0.21 -0.23 0.00 0.00 178.00 179.30 1wyn s LYS 62 N -4.26 1.03 -0.12 0.86 2.47 -1.26 -5.16 119.74 113.30 1wyn s LYS 62 Ca -0.16 -0.20 -0.02 0.00 -1.56 0.00 0.00 55.97 54.03 1wyn s LYS 62 Cb 0.02 0.47 -0.03 0.00 -1.46 0.00 0.00 37.83 36.84 1wyn s LYS 62 CO 0.69 -0.37 -0.04 0.42 0.16 0.00 0.00 175.35 176.21 1wyn s ILE 63 N -2.34 3.90 0.00 5.43 1.01 -1.26 -5.00 121.20 122.94 1wyn s ILE 63 Ca -0.06 -0.37 -0.21 0.00 0.00 0.00 0.00 60.65 60.01 1wyn s ILE 63 Cb -0.01 -2.67 -0.20 0.00 0.01 0.00 0.00 42.46 39.60 1wyn s ILE 63 CO -0.01 0.54 1.18 0.78 0.00 0.00 0.00 174.94 177.43 1wyn h ASN 64 N 6.05 0.40 -4.29 3.58 2.35 -1.91 -3.45 115.58 118.32 1wyn h ASN 64 Ca -0.39 -0.66 -0.11 0.00 -0.55 0.00 0.00 56.30 54.59 1wyn h ASN 64 Cb 1.19 -0.12 -0.07 0.00 0.05 0.00 0.00 38.32 39.37 1wyn h ASN 64 CO 0.59 1.00 -0.16 -2.11 -1.65 0.00 0.00 177.43 175.09 1wyn n ARG 65 N -4.41 -1.97 -2.10 0.81 1.85 -1.26 -4.83 116.66 104.74 1wyn n ARG 65 Ca -0.08 0.02 -0.18 0.00 -1.00 0.00 0.00 57.85 56.61 1wyn n ARG 65 Cb 0.51 -3.12 0.10 0.00 -1.05 0.00 0.00 32.46 28.90 1wyn n ARG 65 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1wyn n SER 66 N -1.13 0.99 -2.30 2.89 7.64 -1.26 -5.00 113.62 115.45 1wyn n SER 66 Ca 0.02 -1.86 -0.33 0.00 1.01 0.00 0.00 58.87 57.71 1wyn n SER 66 Cb 0.33 -0.53 0.08 0.00 -1.01 0.00 0.00 64.21 63.08 1wyn n SER 66 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1wyn n MET 67 N -2.51 2.62 -4.80 1.43 2.81 -1.26 -4.77 117.12 110.63 1wyn n MET 67 Ca 0.13 -3.17 -0.25 0.00 -1.81 0.00 0.00 57.70 52.61 1wyn n MET 67 Cb 0.46 -2.24 -0.15 0.00 -0.71 0.00 0.00 33.22 30.58 1wyn n MET 67 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1wyn s GLN 68 N -3.68 1.40 0.00 0.03 -1.52 -1.26 -5.08 119.66 109.55 1wyn s GLN 68 Ca 0.62 -0.65 0.00 0.00 -1.95 0.00 0.00 55.36 53.38 1wyn s GLN 68 Cb 0.49 -1.36 0.00 0.00 -0.22 0.00 0.00 33.01 31.92 1wyn s GLN 68 CO -0.01 0.37 0.82 0.09 -0.25 0.00 0.00 175.29 176.31 1wyn n ASN 69 N 2.56 0.00 -0.27 5.90 4.13 -1.26 -1.23 115.26 125.10 1wyn n ASN 69 Ca -0.15 0.82 0.20 0.00 1.68 0.00 0.00 54.58 57.12 1wyn n ASN 69 Cb 0.54 -0.32 0.37 0.00 -1.54 0.00 0.00 39.78 38.83 1wyn n ASN 69 CO 0.00 0.00 0.00 -2.67 0.28 0.00 0.00 177.26 174.87 1wyn n TRP 70 N -1.54 0.76 0.28 3.10 2.14 -1.26 0.71 117.44 121.62 1wyn n TRP 70 Ca 0.00 0.97 -0.16 0.00 2.07 0.00 0.00 57.50 60.38 1wyn n TRP 70 Cb 0.00 -1.26 -0.08 0.00 -0.81 0.00 0.00 31.31 29.16 1wyn n TRP 70 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 1wyn h HIS 71 N 0.00 -0.62 -1.00 -2.67 3.86 -1.92 -1.90 115.15 110.90 1wyn h HIS 71 Ca 0.60 -0.01 0.25 0.00 -1.16 0.00 0.00 60.37 60.05 1wyn h HIS 71 Cb 1.46 0.21 -0.08 0.00 1.06 0.00 0.00 27.41 30.06 1wyn h HIS 71 CO -0.19 -0.35 0.66 1.96 0.86 0.00 0.00 177.93 180.87 1wyn h GLN 72 N -0.74 0.34 -0.05 2.45 4.20 0.17 -0.35 115.11 121.13 1wyn h GLN 72 Ca -0.07 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 1wyn h GLN 72 Cb 0.55 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.25 1wyn h GLN 72 CO 0.11 0.22 -0.03 -0.07 -0.67 0.00 0.00 178.83 178.39 1wyn h LEU 73 N 0.35 0.12 -1.13 1.46 -0.00 -0.95 -3.10 115.31 112.06 1wyn h LEU 73 Ca 0.54 -0.43 0.28 0.00 -0.00 0.00 0.00 57.88 58.27 1wyn h LEU 73 Cb 1.47 -0.03 -0.12 0.00 -0.00 0.00 0.00 40.66 41.97 1wyn h LEU 73 CO -0.22 0.53 0.63 -0.08 -0.00 0.00 0.00 178.44 179.30 1wyn h GLU 74 N -0.28 0.42 0.11 1.13 4.81 -0.27 -0.17 114.58 120.34 1wyn h GLU 74 Ca 0.01 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1wyn h GLU 74 Cb 0.48 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 1wyn h GLU 74 CO 0.01 0.28 -0.32 -0.91 -0.73 0.00 0.00 179.01 177.34 1wyn h ASN 75 N 0.43 -0.92 -0.28 1.04 2.35 -1.42 -0.01 115.58 116.78 1wyn h ASN 75 Ca 0.67 0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 56.52 1wyn h ASN 75 Cb 1.51 0.35 -0.01 0.00 0.05 0.00 0.00 38.32 40.22 1wyn h ASN 75 CO -0.45 -0.41 0.14 -0.07 -1.65 0.00 0.00 177.43 174.99 1wyn h LEU 76 N -0.54 0.36 -0.82 1.61 3.38 -1.16 -1.80 115.31 116.34 1wyn h LEU 76 Ca 0.03 -0.11 0.14 0.00 0.09 0.00 0.00 57.88 58.04 1wyn h LEU 76 Cb 0.57 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.14 1wyn h LEU 76 CO -0.19 0.36 0.40 0.28 0.09 0.00 0.00 178.44 179.38 1wyn h SER 77 N 0.32 0.46 0.06 -0.43 0.02 -0.92 0.16 113.55 113.23 1wyn h SER 77 Ca 0.10 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1wyn h SER 77 Cb 0.10 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1wyn h SER 77 CO -0.01 0.19 -0.03 0.78 -1.14 0.00 0.00 176.83 176.62 1wyn h ASN 78 N 0.58 -0.07 -0.15 3.07 2.35 -0.71 -2.71 115.58 117.94 1wyn h ASN 78 Ca 0.45 -0.30 0.04 0.00 -0.55 0.00 0.00 56.30 55.94 1wyn h ASN 78 Cb 0.63 0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.98 1wyn h ASN 78 CO -0.37 0.26 -0.09 0.15 -1.65 0.00 0.00 177.43 175.73 1wyn h PHE 79 N -0.42 -0.23 -0.19 1.19 3.57 -0.61 -1.19 116.94 119.07 1wyn h PHE 79 Ca -0.01 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.56 1wyn h PHE 79 Cb 0.36 0.12 -0.07 0.00 2.79 0.00 0.00 35.95 39.16 1wyn h PHE 79 CO 0.03 -0.15 -0.39 0.82 -2.23 0.00 0.00 178.31 176.40 1wyn h ILE 80 N -0.09 0.18 -0.59 1.41 2.04 -0.73 0.46 117.51 120.18 1wyn h ILE 80 Ca 0.09 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.04 1wyn h ILE 80 Cb 0.22 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 1wyn h ILE 80 CO -0.21 0.00 0.40 0.11 0.00 0.00 0.00 178.15 178.45 1wyn h LYS 81 N -0.43 0.43 -0.52 2.37 1.57 -1.22 -0.68 116.57 118.09 1wyn h LYS 81 Ca 0.10 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 1wyn h LYS 81 Cb 0.60 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1wyn h LYS 81 CO -0.42 0.28 0.09 0.00 -0.57 0.00 0.00 179.45 178.83 1wyn h ALA 82 N 1.69 1.19 -0.72 3.86 0.00 0.31 -2.76 119.26 122.83 1wyn h ALA 82 Ca 0.27 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1wyn h ALA 82 Cb 0.48 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1wyn h ALA 82 CO -0.08 0.55 0.23 0.52 0.00 0.00 0.00 179.25 180.47 1wyn h MET 83 N 0.77 1.12 -0.94 0.00 2.86 0.03 -2.64 114.93 116.14 1wyn h MET 83 Ca 0.17 -0.24 0.12 0.00 -2.06 0.00 0.00 59.70 57.69 1wyn h MET 83 Cb 0.34 -0.16 -0.07 0.00 0.06 0.00 0.00 31.60 31.76 1wyn h MET 83 CO 0.00 0.95 0.60 0.28 1.06 0.00 0.00 176.91 179.81 1wyn h VAL 84 N 1.06 0.90 -0.37 -2.22 2.07 -1.30 -1.18 116.25 115.22 1wyn h VAL 84 Ca 0.23 -0.30 -0.15 0.00 0.82 0.00 0.00 66.70 67.30 1wyn h VAL 84 Cb 0.30 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1wyn h VAL 84 CO -0.01 0.16 -0.38 0.28 0.02 0.00 0.00 177.57 177.64 1wyn h SER 85 N 0.87 0.94 -0.49 0.57 0.02 -1.45 -3.20 113.55 110.81 1wyn h SER 85 Ca 0.46 -0.42 0.10 0.00 -0.84 0.00 0.00 61.79 61.08 1wyn h SER 85 Cb 0.54 -0.26 -0.09 0.00 0.14 0.00 0.00 62.40 62.73 1wyn h SER 85 CO -0.22 1.21 -0.12 0.22 -1.14 0.00 0.00 176.83 176.78 1wyn h TYR 86 N 0.73 -0.25 0.00 3.45 3.20 -0.95 -3.45 116.97 119.70 1wyn h TYR 86 Ca 0.06 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1wyn h TYR 86 Cb 0.96 0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.41 1wyn h TYR 86 CO 0.06 -0.21 0.00 0.41 -1.64 0.00 0.00 178.16 176.78 1wyn n GLY 87 N -1.35 0.28 3.97 1.82 0.00 -1.12 -5.14 105.19 103.65 1wyn n GLY 87 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 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 1.69 0.40 1.61 -1.94 -1.22 -5.09 119.30 114.75 1wyn s MET 88 Ca 0.00 -0.77 -0.03 0.00 -1.71 0.00 0.00 55.69 53.17 1wyn s MET 88 Cb 0.00 -2.23 -0.04 0.00 2.01 0.00 0.00 34.83 34.58 1wyn s MET 88 CO 0.00 -1.50 0.67 -0.80 -0.01 0.00 0.00 175.02 173.38 1wyn s ASN 89 N -4.69 6.31 0.00 3.03 -0.87 -1.26 -4.90 114.94 112.57 1wyn s ASN 89 Ca 0.65 0.74 0.15 0.00 -1.57 0.00 0.00 52.86 52.84 1wyn s ASN 89 Cb -0.07 -2.16 0.74 0.00 -0.02 0.00 0.00 41.25 39.74 1wyn s ASN 89 CO 0.45 -0.42 1.41 -0.81 -2.57 0.00 0.00 177.10 175.16 1wyn n PRO 90 N -1.86 0.20 -0.00 -0.60 -0.04 -1.26 -2.46 135.00 128.97 1wyn n PRO 90 Ca -0.02 0.15 0.03 0.00 -0.04 0.00 0.00 63.50 63.63 1wyn n PRO 90 Cb 0.55 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.46 1wyn n PRO 90 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1wyn n VAL 91 N -1.30 0.02 0.99 0.52 3.14 -1.26 -4.53 118.33 115.92 1wyn n VAL 91 Ca 0.07 -0.15 0.01 0.00 -2.96 0.00 0.00 64.34 61.31 1wyn n VAL 91 Cb 0.12 0.29 0.04 0.00 -1.06 0.00 0.00 33.84 33.23 1wyn n VAL 91 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1wyn n ASP 92 N -1.75 1.27 -4.93 6.55 8.00 -1.03 -4.83 116.55 119.84 1wyn n ASP 92 Ca -0.02 -2.08 -0.25 0.00 0.71 0.00 0.00 54.79 53.15 1wyn n ASP 92 Cb 0.19 -0.43 0.01 0.00 -0.02 0.00 0.00 41.12 40.87 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 -0.42 2.74 -0.04 0.64 1.43 -1.25 -4.31 118.68 117.46 1wyn s LEU 93 Ca 0.05 -1.20 -0.07 0.00 -1.03 0.00 0.00 54.13 51.88 1wyn s LEU 93 Cb 0.04 -1.23 0.01 0.00 0.03 0.00 0.00 46.19 45.05 1wyn s LEU 93 CO 0.02 -1.16 0.17 0.72 0.23 0.00 0.00 176.35 176.33 1wyn s PHE 94 N -2.77 -0.12 0.87 0.29 -0.71 -1.26 -4.83 117.98 109.45 1wyn s PHE 94 Ca 0.38 0.28 -0.15 0.00 -1.04 0.00 0.00 56.93 56.41 1wyn s PHE 94 Cb -0.03 0.03 0.22 0.00 -1.21 0.00 0.00 43.02 42.04 1wyn s PHE 94 CO 0.24 -0.17 0.63 0.39 -1.34 0.00 0.00 175.22 174.97 1wyn n GLU 95 N 2.43 -3.13 0.00 1.99 1.02 -1.26 -4.88 120.64 116.81 1wyn n GLU 95 Ca -0.16 -1.03 0.11 0.00 -0.02 0.00 0.00 57.16 56.05 1wyn n GLU 95 Cb 0.58 -1.14 -0.04 0.00 -0.02 0.00 0.00 31.44 30.82 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 -4.52 4.22 -0.05 0.62 0.00 -1.26 -4.36 120.51 115.16 1wyn n ALA 96 Ca -0.13 -0.52 -0.22 0.00 0.00 0.00 0.00 53.44 52.57 1wyn n ALA 96 Cb 0.38 -0.86 -0.13 0.00 0.00 0.00 0.00 19.45 18.85 1wyn n ALA 96 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1wyn n ASN 97 N -1.62 2.03 -0.26 0.00 6.94 -1.26 -3.48 115.26 117.60 1wyn n ASN 97 Ca 0.03 0.23 0.05 0.00 -0.02 0.00 0.00 54.58 54.88 1wyn n ASN 97 Cb 0.36 -0.83 0.12 0.00 -2.36 0.00 0.00 39.78 37.07 1wyn n ASN 97 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1wyn n ASP 98 N -3.75 -0.23 -0.06 0.53 5.68 -1.26 -0.09 116.55 117.36 1wyn n ASP 98 Ca -0.35 1.24 -0.09 0.00 -0.50 0.00 0.00 54.79 55.08 1wyn n ASP 98 Cb 0.94 -0.39 -0.09 0.00 -1.14 0.00 0.00 41.12 40.44 1wyn n ASP 98 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1wyn h LEU 99 N 0.00 -0.01 -0.43 -2.12 5.85 -1.76 1.74 115.31 118.59 1wyn h LEU 99 Ca 0.36 -0.64 0.04 0.00 0.84 0.00 0.00 57.88 58.48 1wyn h LEU 99 Cb 0.59 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 1wyn h LEU 99 CO -0.73 0.81 -0.37 0.15 -0.34 0.00 0.00 178.44 177.96 1wyn h PHE 100 N -0.99 -1.14 -0.96 1.25 3.57 -0.93 -0.78 116.94 116.94 1wyn h PHE 100 Ca -0.00 0.07 -0.61 0.00 3.53 0.00 0.00 57.97 60.96 1wyn h PHE 100 Cb 0.65 0.56 -0.30 0.00 2.79 0.00 0.00 35.95 39.65 1wyn h PHE 100 CO 0.18 -0.28 0.69 0.39 -2.23 0.00 0.00 178.31 177.06 1wyn n GLU 101 N -4.42 2.57 -1.81 1.11 1.02 0.87 -4.87 120.64 115.11 1wyn n GLU 101 Ca -0.01 -3.25 0.00 0.00 -0.02 0.00 0.00 57.16 53.88 1wyn n GLU 101 Cb 0.19 -2.24 0.00 0.00 -0.02 0.00 0.00 31.44 29.38 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 -0.98 -0.56 0.07 1.62 3.41 -0.30 -4.66 113.62 112.22 1wyn n SER 102 Ca 0.60 0.28 0.05 0.00 -0.26 0.00 0.00 58.87 59.54 1wyn n SER 102 Cb 0.99 -0.76 0.26 0.00 -0.26 0.00 0.00 64.21 64.44 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 -0.28 -0.65 3.18 5.00 0.00 0.57 -4.43 105.19 108.58 1wyn n GLY 103 Ca 0.00 0.09 0.05 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.44 -0.33 -0.03 1.61 3.04 0.10 -4.79 114.94 111.09 1wyn s ASN 104 Ca -0.01 0.26 0.21 0.00 0.04 0.00 0.00 52.86 53.36 1wyn s ASN 104 Cb 0.03 1.30 -0.32 0.00 -1.54 0.00 0.00 41.25 40.72 1wyn s ASN 104 CO 0.09 -0.06 0.49 0.23 -3.04 0.00 0.00 177.10 174.81 1wyn n MET 105 N 5.30 0.61 0.14 0.43 2.81 -1.26 -4.00 117.12 121.15 1wyn n MET 105 Ca -0.08 -0.18 -0.24 0.00 -1.81 0.00 0.00 57.70 55.39 1wyn n MET 105 Cb 0.54 -1.49 -0.16 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 1.29 -0.18 2.03 1.35 -1.97 -2.57 112.91 112.86 1wyn h THR 106 Ca 0.00 -2.70 -0.11 0.00 -0.55 0.00 0.00 66.41 63.05 1wyn h THR 106 Cb 0.92 3.01 -0.01 0.00 -1.73 0.00 0.00 68.15 70.34 1wyn h THR 106 CO 0.00 0.81 -0.37 -0.61 -0.25 0.00 0.00 175.52 175.09 1wyn h GLN 107 N 0.16 0.40 0.00 4.72 5.75 -1.94 -1.68 115.11 122.52 1wyn h GLN 107 Ca -0.25 -0.19 -0.14 0.00 -0.15 0.00 0.00 58.65 57.93 1wyn h GLN 107 Cb 2.14 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 30.67 1wyn h GLN 107 CO 0.27 0.72 -0.66 0.28 -2.65 0.00 0.00 178.83 176.79 1wyn h VAL 108 N 0.34 1.23 0.09 2.39 2.07 -1.70 -3.04 116.25 117.62 1wyn h VAL 108 Ca 0.04 -2.50 -0.00 0.00 0.82 0.00 0.00 66.70 65.05 1wyn h VAL 108 Cb 0.82 2.45 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 1wyn h VAL 108 CO 0.07 0.65 -0.04 -0.61 0.02 0.00 0.00 177.57 177.66 1wyn h GLN 109 N 0.00 -0.11 -0.53 1.57 4.15 -1.24 -3.22 115.11 115.73 1wyn h GLN 109 Ca -0.01 0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.54 1wyn h GLN 109 Cb 1.40 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 29.08 1wyn h GLN 109 CO 0.09 0.41 0.37 -0.39 -1.93 0.00 0.00 178.83 177.37 1wyn h VAL 110 N -0.89 0.84 -0.18 2.39 -1.51 -1.42 -1.59 116.25 113.89 1wyn h VAL 110 Ca -0.01 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.38 1wyn h VAL 110 Cb 0.57 0.59 -0.01 0.00 -2.13 0.00 0.00 31.29 30.32 1wyn h VAL 110 CO 0.02 0.04 0.11 -1.28 -1.23 0.00 0.00 177.57 175.24 1wyn h SER 111 N 0.22 0.21 -0.54 4.19 0.87 -1.58 -0.11 113.55 116.82 1wyn h SER 111 Ca 0.25 -0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.67 1wyn h SER 111 Cb 0.69 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.58 1wyn h SER 111 CO -0.05 0.18 -0.10 -0.07 -0.53 0.00 0.00 176.83 176.26 1wyn h LEU 112 N 0.23 1.02 -1.88 2.23 3.38 -1.33 -0.04 115.31 118.92 1wyn h LEU 112 Ca 0.07 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1wyn h LEU 112 Cb -0.00 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 1wyn h LEU 112 CO -0.01 1.13 -0.06 -0.07 0.09 0.00 0.00 178.44 179.52 1wyn h LEU 113 N 0.89 0.00 0.06 1.67 3.38 -1.12 -0.11 115.31 120.09 1wyn h LEU 113 Ca 0.14 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.78 1wyn h LEU 113 Cb 0.67 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 1wyn h LEU 113 CO 0.05 0.06 -1.89 0.00 0.09 0.00 0.00 178.44 176.74 1wyn n ALA 114 N -2.15 1.18 0.07 1.53 0.00 -0.07 -3.42 120.51 117.64 1wyn n ALA 114 Ca -0.01 -0.69 -0.10 0.00 0.00 0.00 0.00 53.44 52.64 1wyn n ALA 114 Cb 0.25 -0.73 0.01 0.00 0.00 0.00 0.00 19.45 18.97 1wyn n ALA 114 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wyn h LEU 115 N 0.04 0.41 -0.46 0.00 5.85 -0.74 -3.23 115.31 117.17 1wyn h LEU 115 Ca -0.37 -0.30 -0.16 0.00 0.84 0.00 0.00 57.88 57.89 1wyn h LEU 115 Cb 2.03 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.93 1wyn h LEU 115 CO 0.08 1.06 -0.45 0.00 -0.34 0.00 0.00 178.44 178.79 1wyn h ALA 116 N 0.92 0.64 0.00 1.25 0.00 -1.19 -0.85 119.26 120.03 1wyn h ALA 116 Ca -0.05 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1wyn h ALA 116 Cb 1.42 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1wyn h ALA 116 CO 0.14 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.47 1wyn n GLY 117 N 0.17 -0.95 0.07 0.00 0.00 -1.22 -1.02 105.19 102.24 1wyn n GLY 117 Ca -0.03 0.15 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 1wyn n GLY 117 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wyn n LYS 118 N -2.19 1.58 0.16 1.61 4.81 -1.07 -4.49 118.16 118.56 1wyn n LYS 118 Ca -0.00 0.02 0.03 0.00 -0.87 0.00 0.00 58.31 57.49 1wyn n LYS 118 Cb 0.08 -1.33 0.22 0.00 0.02 0.00 0.00 35.03 34.02 1wyn n LYS 118 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wyn h ALA 119 N 0.50 0.88 -0.08 3.14 0.00 -0.71 -3.06 119.26 119.93 1wyn h ALA 119 Ca -0.35 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.15 1wyn h ALA 119 Cb 1.75 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 1wyn h ALA 119 CO 0.00 0.59 0.23 1.57 0.00 0.00 0.00 179.25 181.64 1wyn h LYS 120 N 0.00 0.00 -1.01 0.00 2.10 -1.31 -1.89 116.57 114.46 1wyn h LYS 120 Ca -0.00 0.00 0.24 0.00 -2.00 0.00 0.00 60.65 58.88 1wyn h LYS 120 Cb 1.08 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 32.29 1wyn h LYS 120 CO 0.06 0.00 0.61 0.00 -2.00 0.00 0.00 179.45 178.12 1wyn h THR 121 N 0.00 0.57 -0.71 0.07 1.03 -1.81 0.19 112.91 112.25 1wyn h THR 121 Ca 0.04 -0.21 0.24 0.00 -0.01 0.00 0.00 66.41 66.48 1wyn h THR 121 Cb 0.49 -0.08 -0.13 0.00 -1.07 0.00 0.00 68.15 67.36 1wyn h THR 121 CO -0.00 0.11 0.18 0.29 -0.01 0.00 0.00 175.52 176.09 1wyn n LYS 122 N -4.83 -0.05 -0.65 0.00 4.01 -0.71 -1.19 118.16 114.73 1wyn n LYS 122 Ca 0.26 1.03 0.02 0.00 -0.51 0.00 0.00 58.31 59.11 1wyn n LYS 122 Cb 0.72 -1.73 0.02 0.00 -0.51 0.00 0.00 35.03 33.53 1wyn n LYS 122 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1wyn n GLY 123 N -1.28 1.16 3.66 0.72 0.00 -0.50 -5.02 105.19 103.93 1wyn n GLY 123 Ca 0.21 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.08 -0.34 -4.35 0.99 4.32 0.57 -4.81 117.00 113.30 1wyn n LEU 124 Ca 0.03 -0.70 -0.46 0.00 -0.02 0.00 0.00 56.01 54.85 1wyn n LEU 124 Cb 0.78 -0.86 -0.02 0.00 -1.62 0.00 0.00 43.42 41.70 1wyn n LEU 124 CO -0.01 0.33 0.54 -1.58 -1.22 0.00 0.00 177.39 175.45 1wyn s GLN 125 N -5.77 3.65 0.88 3.23 2.00 -1.22 -5.03 119.66 117.39 1wyn s GLN 125 Ca 0.11 -2.41 -0.12 0.00 -2.00 0.00 0.00 55.36 50.94 1wyn s GLN 125 Cb -0.06 -4.51 0.12 0.00 0.80 0.00 0.00 33.01 29.36 1wyn s GLN 125 CO 0.54 -1.36 1.15 0.45 -0.50 0.00 0.00 175.29 175.57 1wyn s SER 126 N 2.33 3.82 0.00 6.67 0.15 -1.26 -5.02 113.70 120.39 1wyn s SER 126 Ca 0.21 0.89 0.00 0.00 0.70 0.00 0.00 55.95 57.75 1wyn s SER 126 Cb -0.09 -1.43 0.00 0.00 -1.71 0.00 0.00 66.02 62.79 1wyn s SER 126 CO -0.09 -2.35 0.00 0.61 1.20 0.00 0.00 173.24 172.61 1wyn n GLY 127 N -2.59 0.82 3.77 9.45 0.00 -1.26 -5.04 105.19 110.35 1wyn n GLY 127 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 0.44 4.62 0.24 1.61 0.11 -1.26 -5.02 120.40 121.14 1wyn s VAL 128 Ca 0.00 -0.50 -0.31 0.00 -2.93 0.00 0.00 61.98 58.23 1wyn s VAL 128 Cb 0.00 -3.13 -0.12 0.00 -1.53 0.00 0.00 36.38 31.60 1wyn s VAL 128 CO 0.00 0.31 1.69 1.51 -3.33 0.00 0.00 175.10 175.28 1wyn s ASP 129 N -1.85 6.36 -0.59 3.54 -4.77 -1.26 -4.96 116.67 113.14 1wyn s ASP 129 Ca 0.24 2.91 0.06 0.00 -3.30 0.00 0.00 52.55 52.46 1wyn s ASP 129 Cb -0.12 -2.61 0.22 0.00 -1.09 0.00 0.00 42.92 39.32 1wyn s ASP 129 CO 0.15 -0.97 0.61 -0.38 0.70 0.00 0.00 175.17 175.29 1wyn n ILE 130 N 3.42 1.31 -2.71 2.11 5.41 -1.26 -4.84 119.36 122.80 1wyn n ILE 130 Ca 0.14 -4.76 -0.06 0.00 1.00 0.00 0.00 62.75 59.07 1wyn n ILE 130 Cb 0.36 -2.06 0.02 0.00 -0.71 0.00 0.00 39.64 37.26 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 1.40 0.43 3.15 7.39 0.00 -1.26 -5.05 105.19 111.25 1wyn n GLY 131 Ca 0.26 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 1wyn n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wyn s VAL 132 N -3.10 1.85 0.47 1.61 -7.23 -1.26 -5.11 120.40 107.64 1wyn s VAL 132 Ca 0.13 -0.87 -0.21 0.00 -1.81 0.00 0.00 61.98 59.21 1wyn s VAL 132 Cb -0.06 -1.64 -0.11 0.00 0.56 0.00 0.00 36.38 35.13 1wyn s VAL 132 CO 0.21 0.51 0.52 2.29 -0.31 0.00 0.00 175.10 178.32 1wyn n LYS 133 N 3.89 0.55 -2.39 4.82 2.85 -1.26 -4.90 118.16 121.72 1wyn n LYS 133 Ca -0.20 0.21 -0.37 0.00 -1.05 0.00 0.00 58.31 56.90 1wyn n LYS 133 Cb 0.52 -1.56 -0.03 0.00 -0.65 0.00 0.00 35.03 33.31 1wyn n LYS 133 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 177.40 178.87 1wyn s TYR 134 N -1.58 3.10 -0.05 5.58 1.13 -1.26 -5.03 117.35 119.25 1wyn s TYR 134 Ca 0.65 1.59 -0.31 0.00 -1.41 0.00 0.00 57.07 57.59 1wyn s TYR 134 Cb -0.54 -3.27 0.12 0.00 -1.10 0.00 0.00 41.96 37.16 1wyn s TYR 134 CO 0.57 -1.06 1.18 0.45 -2.51 0.00 0.00 175.55 174.19 1wyn s SER 135 N -1.39 -0.12 0.40 -0.18 0.15 -1.26 -5.15 113.70 106.15 1wyn s SER 135 Ca 0.59 -0.12 -0.20 0.00 0.70 0.00 0.00 55.95 56.93 1wyn s SER 135 Cb -0.26 0.22 -0.15 0.00 -1.71 0.00 0.00 66.02 64.12 1wyn s SER 135 CO 0.33 -0.39 0.04 -0.62 1.20 0.00 0.00 173.24 173.80 1wyn n GLU 136 N -0.34 0.00 -3.50 5.44 4.71 -1.26 -4.98 120.64 120.71 1wyn n GLU 136 Ca -0.05 0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.00 1wyn n GLU 136 Cb 0.61 -0.95 -0.02 0.00 -1.01 0.00 0.00 31.44 30.07 1wyn n GLU 136 CO 0.00 0.00 0.00 -1.59 0.09 0.00 0.00 177.13 175.63 1wyn s LYS 137 N -0.95 1.04 -0.06 3.49 0.00 -1.26 -5.16 119.74 116.84 1wyn s LYS 137 Ca 0.56 -0.40 -0.00 0.00 0.00 0.00 0.00 55.97 56.12 1wyn s LYS 137 Cb -0.58 0.47 0.03 0.00 0.00 0.00 0.00 37.83 37.74 1wyn s LYS 137 CO 0.60 -0.46 -0.01 -1.14 0.00 0.00 0.00 175.35 174.34 1wyn s GLN 138 N -3.39 0.64 -0.20 1.78 0.74 -1.26 -5.13 119.66 112.84 1wyn s GLN 138 Ca 0.04 0.04 -0.29 0.00 0.05 0.00 0.00 55.36 55.20 1wyn s GLN 138 Cb -0.01 -0.88 0.14 0.00 1.10 0.00 0.00 33.01 33.36 1wyn s GLN 138 CO -0.09 -0.22 1.08 -1.83 -0.55 0.00 0.00 175.29 173.67 1wyn s GLU 139 N 1.56 0.48 -0.65 1.67 -1.05 -1.26 -5.04 118.70 114.40 1wyn s GLU 139 Ca -0.01 0.16 -0.01 0.00 -0.15 0.00 0.00 54.97 54.95 1wyn s GLU 139 Cb -0.13 0.23 0.44 0.00 -0.44 0.00 0.00 34.13 34.22 1wyn s GLU 139 CO -0.03 -0.14 1.94 -2.13 0.95 0.00 0.00 175.26 175.85 1wyn n ARG 140 N 0.83 2.80 -3.58 -4.83 0.63 -1.26 -4.92 116.66 106.33 1wyn n ARG 140 Ca -0.09 -3.42 -0.14 0.00 -0.92 0.00 0.00 57.85 53.28 1wyn n ARG 140 Cb 0.58 -2.29 -0.06 0.00 0.45 0.00 0.00 32.46 31.14 1wyn n ARG 140 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1wyn s SER 141 N -1.93 -0.60 0.08 6.15 1.04 -1.26 -5.17 113.70 112.00 1wyn s SER 141 Ca 0.62 0.91 -0.08 0.00 0.48 0.00 0.00 55.95 57.88 1wyn s SER 141 Cb 0.49 0.83 -0.05 0.00 0.10 0.00 0.00 66.02 67.39 1wyn s SER 141 CO -0.06 -0.38 0.36 -0.83 0.98 0.00 0.00 173.24 173.31 1wyn s GLY 142 N -0.48 2.29 -0.32 7.32 0.00 -1.26 -5.03 107.32 109.85 1wyn s GLY 142 Ca -0.04 -0.48 -0.29 0.00 0.00 0.00 0.00 44.72 43.92 1wyn s GLY 142 CO 0.03 -0.30 1.68 2.56 0.00 0.00 0.00 173.10 177.07 1wyn s PRO 143 N -2.05 3.50 0.07 2.90 0.04 -1.26 -4.96 135.00 133.23 1wyn s PRO 143 Ca 0.34 1.40 -0.24 0.00 0.04 0.00 0.00 61.00 62.54 1wyn s PRO 143 Cb -0.13 -4.12 0.06 0.00 0.04 0.00 0.00 34.50 30.34 1wyn s PRO 143 CO 0.19 -1.65 0.58 -1.12 0.04 0.00 0.00 177.00 175.03 1wyn s SER 144 N 5.20 -0.52 -1.05 6.66 0.01 -1.26 -5.10 113.70 117.65 1wyn s SER 144 Ca 0.74 0.22 -0.17 0.00 1.31 0.00 0.00 55.95 58.05 1wyn s SER 144 Cb -0.21 0.54 0.13 0.00 0.21 0.00 0.00 66.02 66.69 1wyn s SER 144 CO 0.32 -0.78 1.29 -0.55 0.41 0.00 0.00 173.24 173.93 1wyn s SER 145 N -2.09 6.77 0.00 2.44 0.15 -1.26 -5.14 113.70 114.58 1wyn s SER 145 Ca -0.04 -2.32 0.00 0.00 0.70 0.00 0.00 55.95 54.29 1wyn s SER 145 Cb -0.01 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 1wyn s SER 145 CO -0.03 -1.01 0.00 0.61 1.20 0.00 0.00 173.24 174.01