#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wyn s SER 2 N 0.00 0.15 -0.13 1.61 1.04 -1.26 -5.13 113.70 109.98 1wyn s SER 2 Ca 0.00 -1.10 -0.06 0.00 0.48 0.00 0.00 55.95 55.27 1wyn s SER 2 Cb 0.00 0.75 0.06 0.00 0.10 0.00 0.00 66.02 66.93 1wyn s SER 2 CO 0.00 -1.46 0.30 -0.44 0.98 0.00 0.00 173.24 172.62 1wyn s SER 3 N -3.07 -0.18 0.00 7.02 0.01 -1.26 -5.07 113.70 111.15 1wyn s SER 3 Ca 0.19 0.66 0.00 0.00 1.31 0.00 0.00 55.95 58.12 1wyn s SER 3 Cb -0.04 0.64 0.00 0.00 0.21 0.00 0.00 66.02 66.83 1wyn s SER 3 CO 0.12 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.19 1wyn n GLY 4 N 4.59 4.76 3.77 3.44 0.00 -1.26 -5.04 105.19 115.45 1wyn n GLY 4 Ca -0.19 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.62 1wyn n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wyn s SER 5 N 0.00 5.61 0.37 1.61 0.15 -1.26 -4.61 113.70 115.57 1wyn s SER 5 Ca 0.00 0.12 0.08 0.00 0.70 0.00 0.00 55.95 56.85 1wyn s SER 5 Cb 0.00 -1.59 -0.03 0.00 -1.71 0.00 0.00 66.02 62.69 1wyn s SER 5 CO 0.00 0.26 0.32 -0.55 1.20 0.00 0.00 173.24 174.47 1wyn s SER 6 N -1.77 5.14 -0.49 5.45 0.15 -1.26 -4.96 113.70 115.95 1wyn s SER 6 Ca 0.23 -0.62 0.06 0.00 0.70 0.00 0.00 55.95 56.32 1wyn s SER 6 Cb -0.12 -0.79 0.21 0.00 -1.71 0.00 0.00 66.02 63.61 1wyn s SER 6 CO 0.14 -0.47 0.48 0.61 1.20 0.00 0.00 173.24 175.20 1wyn n GLY 7 N -1.43 3.10 3.45 9.45 0.00 -1.26 -5.05 105.19 113.45 1wyn n GLY 7 Ca 0.00 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 1wyn n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wyn s ASN 8 N -0.98 5.90 -1.40 1.61 2.20 -1.26 -4.48 114.94 116.54 1wyn s ASN 8 Ca 0.33 -0.76 -0.07 0.00 -0.94 0.00 0.00 52.86 51.42 1wyn s ASN 8 Cb 0.08 -2.09 0.04 0.00 -2.00 0.00 0.00 41.25 37.28 1wyn s ASN 8 CO -0.14 -0.34 0.93 0.54 -2.94 0.00 0.00 177.10 175.15 1wyn n ARG 9 N 5.07 -5.85 -2.53 3.55 1.74 -1.26 -4.91 116.66 112.47 1wyn n ARG 9 Ca -0.12 0.67 -0.43 0.00 -0.77 0.00 0.00 57.85 57.20 1wyn n ARG 9 Cb 0.48 -5.49 -0.02 0.00 -1.02 0.00 0.00 32.46 26.40 1wyn n ARG 9 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 1wyn s LEU 10 N -7.01 4.21 0.72 0.55 2.34 -1.26 -5.01 118.68 113.23 1wyn s LEU 10 Ca 0.37 1.64 -0.15 0.00 0.06 0.00 0.00 54.13 56.06 1wyn s LEU 10 Cb -0.18 -3.55 0.04 0.00 -0.56 0.00 0.00 46.19 41.93 1wyn s LEU 10 CO 0.80 -0.62 1.23 -1.48 -1.06 0.00 0.00 176.35 175.21 1wyn s LEU 11 N 2.71 3.35 -0.33 1.48 2.34 -1.26 -5.00 118.68 121.97 1wyn s LEU 11 Ca 0.52 2.42 0.02 0.00 0.06 0.00 0.00 54.13 57.14 1wyn s LEU 11 Cb -0.21 -4.60 0.08 0.00 -0.56 0.00 0.00 46.19 40.91 1wyn s LEU 11 CO 0.16 -2.27 0.03 -0.44 -1.06 0.00 0.00 176.35 172.77 1wyn s SER 12 N -1.90 4.79 0.21 1.48 0.01 -1.26 -5.09 113.70 111.95 1wyn s SER 12 Ca 0.76 -1.80 0.01 0.00 1.31 0.00 0.00 55.95 56.24 1wyn s SER 12 Cb -0.31 -1.66 -0.01 0.00 0.21 0.00 0.00 66.02 64.26 1wyn s SER 12 CO 0.45 -0.34 0.05 0.29 0.41 0.00 0.00 173.24 174.10 1wyn n LYS 13 N 4.42 0.93 -4.12 12.44 4.01 -1.26 -4.99 118.16 129.59 1wyn n LYS 13 Ca -0.05 -1.72 -0.31 0.00 -0.51 0.00 0.00 58.31 55.72 1wyn n LYS 13 Cb 0.42 0.81 -0.07 0.00 -0.51 0.00 0.00 35.03 35.67 1wyn n LYS 13 CO 0.00 0.00 0.00 -0.47 -1.11 0.00 0.00 177.40 175.82 1wyn s TYR 14 N -2.19 3.12 -0.14 2.13 6.14 -1.26 -4.48 117.35 120.68 1wyn s TYR 14 Ca 0.08 0.06 -0.10 0.00 0.64 0.00 0.00 57.07 57.74 1wyn s TYR 14 Cb 0.00 -1.62 0.04 0.00 0.42 0.00 0.00 41.96 40.81 1wyn s TYR 14 CO 0.05 0.50 0.36 0.34 0.64 0.00 0.00 175.55 177.44 1wyn s ASP 15 N -2.16 -0.40 0.32 4.32 2.15 -1.26 -5.04 116.67 114.60 1wyn s ASP 15 Ca 0.26 0.74 0.11 0.00 0.43 0.00 0.00 52.55 54.09 1wyn s ASP 15 Cb -0.12 0.69 0.54 0.00 -0.30 0.00 0.00 42.92 43.73 1wyn s ASP 15 CO 0.18 -0.15 1.72 1.55 -0.17 0.00 0.00 175.17 178.30 1wyn h PRO 16 N 6.29 0.02 0.00 4.34 0.13 -2.01 -3.08 132.00 137.69 1wyn h PRO 16 Ca -0.32 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.78 1wyn h PRO 16 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1wyn h PRO 16 CO 0.30 0.50 -0.17 1.96 -0.23 0.00 0.00 178.00 180.36 1wyn h GLN 17 N 0.02 0.00 -0.87 0.86 7.50 -2.02 -3.36 115.11 117.24 1wyn h GLN 17 Ca -0.00 0.00 0.21 0.00 0.50 0.00 0.00 58.65 59.36 1wyn h GLN 17 Cb 0.86 0.00 -0.16 0.00 0.05 0.00 0.00 27.48 28.24 1wyn h GLN 17 CO 0.06 0.65 -0.00 0.87 -1.50 0.00 0.00 178.83 178.92 1wyn h LYS 18 N -1.00 0.06 -0.98 1.46 1.79 -1.98 0.27 116.57 116.20 1wyn h LYS 18 Ca -0.04 -0.00 0.31 0.00 -2.18 0.00 0.00 60.65 58.73 1wyn h LYS 18 Cb 0.72 -0.01 -0.18 0.00 -1.58 0.00 0.00 32.23 31.18 1wyn h LYS 18 CO -0.02 0.04 0.20 1.49 -1.08 0.00 0.00 179.45 180.08 1wyn h GLU 19 N 0.07 0.04 -0.26 3.15 4.81 -1.68 1.10 114.58 121.81 1wyn h GLU 19 Ca 0.49 -0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.56 1wyn h GLU 19 Cb 0.92 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 1wyn h GLU 19 CO -0.79 0.02 -0.46 0.00 -0.73 0.00 0.00 179.01 177.06 1wyn h ALA 20 N 1.96 0.70 -0.42 2.92 0.00 -0.64 -2.87 119.26 120.91 1wyn h ALA 20 Ca 0.66 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1wyn h ALA 20 Cb 1.49 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1wyn h ALA 20 CO -0.84 0.67 0.21 0.93 0.00 0.00 0.00 179.25 180.22 1wyn h GLU 21 N 0.54 0.58 0.19 0.00 5.08 0.14 -1.20 114.58 119.91 1wyn h GLU 21 Ca 0.03 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1wyn h GLU 21 Cb 1.01 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1wyn h GLU 21 CO 0.10 0.44 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.39 1wyn h LEU 22 N 0.58 -0.22 -1.33 1.33 3.38 -0.98 -2.51 115.31 115.57 1wyn h LEU 22 Ca 0.15 0.01 0.29 0.00 0.09 0.00 0.00 57.88 58.42 1wyn h LEU 22 Cb 0.05 0.06 -0.10 0.00 0.09 0.00 0.00 40.66 40.75 1wyn h LEU 22 CO -0.02 -0.05 0.68 0.08 0.09 0.00 0.00 178.44 179.22 1wyn h ARG 23 N -0.47 0.35 0.00 1.13 0.11 -1.52 0.99 114.38 114.98 1wyn h ARG 23 Ca -0.03 -0.02 -0.08 0.00 0.10 0.00 0.00 59.98 59.96 1wyn h ARG 23 Cb 0.20 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.19 1wyn h ARG 23 CO 0.04 0.23 -0.36 1.15 0.10 0.00 0.00 179.97 181.13 1wyn h THR 24 N 0.36 1.13 0.00 0.08 2.02 -1.26 0.30 112.91 115.53 1wyn h THR 24 Ca 0.64 -1.30 -0.23 0.00 0.77 0.00 0.00 66.41 66.29 1wyn h THR 24 Cb 1.65 1.73 -0.04 0.00 -1.74 0.00 0.00 68.15 69.75 1wyn h THR 24 CO -0.34 0.35 -1.37 -0.25 0.37 0.00 0.00 175.52 174.28 1wyn h TRP 25 N 0.00 0.00 0.00 3.16 7.01 0.13 -3.33 115.95 122.92 1wyn h TRP 25 Ca -0.00 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 60.96 1wyn h TRP 25 Cb 0.70 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.75 1wyn h TRP 25 CO 0.00 0.85 -0.32 0.82 -2.79 0.00 0.00 178.44 176.99 1wyn h ILE 26 N 0.00 0.56 -1.37 2.65 2.04 -0.42 -3.08 117.51 117.88 1wyn h ILE 26 Ca -0.17 -1.50 0.41 0.00 1.00 0.00 0.00 64.86 64.61 1wyn h ILE 26 Cb 1.80 1.13 -0.10 0.00 -0.74 0.00 0.00 36.82 38.91 1wyn h ILE 26 CO 0.08 0.19 0.93 -0.33 0.00 0.00 0.00 178.15 179.02 1wyn h GLU 27 N -1.00 0.10 0.14 2.37 5.08 -0.60 0.71 114.58 121.39 1wyn h GLU 27 Ca -0.06 -0.01 -0.28 0.00 -1.00 0.00 0.00 59.36 58.02 1wyn h GLU 27 Cb 0.56 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.79 1wyn h GLU 27 CO -0.03 0.07 -1.27 0.78 -1.00 0.00 0.00 179.01 177.56 1wyn h GLY 28 N 0.11 0.33 0.31 -3.84 0.00 -1.69 -0.17 103.07 98.12 1wyn h GLY 28 Ca 0.75 -0.85 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 1wyn h GLY 28 CO -0.24 0.75 -0.15 1.41 0.00 0.00 0.00 176.54 178.31 1wyn h LEU 29 N 0.08 -0.35 -0.71 3.11 3.38 0.50 -3.29 115.31 118.04 1wyn h LEU 29 Ca -0.15 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 1wyn h LEU 29 Cb 1.99 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.81 1wyn h LEU 29 CO 0.21 -0.20 -0.54 0.71 0.09 0.00 0.00 178.44 178.71 1wyn h THR 30 N -0.51 1.18 0.00 0.22 1.35 -1.50 -3.47 112.91 110.18 1wyn h THR 30 Ca -0.04 -1.99 0.00 0.00 -0.55 0.00 0.00 66.41 63.83 1wyn h THR 30 Cb 0.32 2.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 1wyn h THR 30 CO 0.07 0.53 0.00 0.61 -0.25 0.00 0.00 175.52 176.48 1wyn n GLY 31 N 0.42 0.45 2.13 5.82 0.00 -0.08 -5.04 105.19 108.89 1wyn n GLY 31 Ca -0.00 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 1wyn n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wyn n LEU 32 N 0.00 0.00 -4.16 0.99 4.77 -1.18 -4.98 117.00 112.44 1wyn n LEU 32 Ca 0.00 -1.36 -0.28 0.00 -0.03 0.00 0.00 56.01 54.34 1wyn n LEU 32 Cb 0.00 -0.24 -0.16 0.00 -2.33 0.00 0.00 43.42 40.69 1wyn n LEU 32 CO 0.00 -0.62 -0.52 -0.55 -1.33 0.00 0.00 177.39 174.36 1wyn s SER 33 N -2.98 2.49 0.08 -1.43 0.15 -1.26 -4.61 113.70 106.15 1wyn s SER 33 Ca 0.33 -0.43 -0.12 0.00 0.70 0.00 0.00 55.95 56.44 1wyn s SER 33 Cb -0.03 -0.90 -0.22 0.00 -1.71 0.00 0.00 66.02 63.16 1wyn s SER 33 CO 0.21 0.15 1.19 0.40 1.20 0.00 0.00 173.24 176.39 1wyn h ILE 34 N 5.48 1.30 0.00 6.45 2.04 -1.93 -3.50 117.51 127.36 1wyn h ILE 34 Ca -0.29 -2.34 0.00 0.00 1.00 0.00 0.00 64.86 63.23 1wyn h ILE 34 Cb 1.19 2.46 0.00 0.00 -0.74 0.00 0.00 36.82 39.74 1wyn h ILE 34 CO 0.47 0.72 0.00 0.61 0.00 0.00 0.00 178.15 179.95 1wyn n GLY 35 N 1.13 -0.82 0.28 5.37 0.00 -1.26 -3.93 105.19 105.95 1wyn n GLY 35 Ca -0.11 -2.17 0.17 0.00 0.00 0.00 0.00 46.02 43.92 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 3.88 0.00 -5.47 1.61 0.13 -2.04 -3.43 132.00 126.68 1wyn h PRO 36 Ca 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.57 1wyn h PRO 36 Cb 0.00 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 30.83 1wyn h PRO 36 CO 0.00 0.00 -0.84 -0.51 -0.23 0.00 0.00 178.00 176.42 1wyn s ASP 37 N -5.62 2.13 -0.11 1.44 1.01 -1.26 -5.06 116.67 109.20 1wyn s ASP 37 Ca 0.01 -0.34 -0.08 0.00 0.71 0.00 0.00 52.55 52.85 1wyn s ASP 37 Cb 0.09 -0.44 -0.07 0.00 1.01 0.00 0.00 42.92 43.50 1wyn s ASP 37 CO 0.53 0.18 0.24 0.15 0.21 0.00 0.00 175.17 176.48 1wyn h PHE 38 N 6.02 -0.02 -0.78 4.23 3.57 -1.88 -2.37 116.94 125.71 1wyn h PHE 38 Ca -0.34 -0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.33 1wyn h PHE 38 Cb 1.16 0.01 -0.11 0.00 2.79 0.00 0.00 35.95 39.80 1wyn h PHE 38 CO 0.42 0.26 0.25 0.37 -2.23 0.00 0.00 178.31 177.37 1wyn h GLN 39 N -1.00 0.32 0.12 1.11 -0.00 -1.97 -1.84 115.11 111.85 1wyn h GLN 39 Ca -0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.62 1wyn h GLN 39 Cb 0.28 -0.07 0.00 0.00 0.00 0.00 0.00 27.48 27.69 1wyn h GLN 39 CO 0.00 0.21 -0.06 0.87 0.00 0.00 0.00 178.83 179.86 1wyn h LYS 40 N 0.33 -0.16 -0.97 1.69 1.57 -1.92 1.02 116.57 118.14 1wyn h LYS 40 Ca 0.45 0.01 0.34 0.00 -1.87 0.00 0.00 60.65 59.58 1wyn h LYS 40 Cb 0.78 0.04 -0.10 0.00 0.08 0.00 0.00 32.23 33.02 1wyn h LYS 40 CO -0.50 -0.11 0.61 0.41 -0.57 0.00 0.00 179.45 179.30 1wyn n GLY 41 N 0.21 -0.60 0.10 3.86 0.00 -0.89 0.20 105.19 108.08 1wyn n GLY 41 Ca -0.02 0.55 -0.13 0.00 0.00 0.00 0.00 46.02 46.42 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 -4.17 1.23 0.00 0.99 4.77 -0.71 -4.45 117.00 114.66 1wyn n LEU 42 Ca 0.29 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1wyn n LEU 42 Cb 1.11 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 42.08 1wyn n LEU 42 CO 0.12 0.59 0.35 1.17 -1.33 0.00 0.00 177.39 178.29 1wyn n LYS 43 N -3.06 0.00 -0.49 3.23 4.81 0.55 0.20 118.16 123.40 1wyn n LYS 43 Ca -0.29 0.70 0.40 0.00 -0.87 0.00 0.00 58.31 58.25 1wyn n LYS 43 Cb 1.08 -1.08 0.69 0.00 0.02 0.00 0.00 35.03 35.73 1wyn n LYS 43 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1wyn h ASP 44 N 0.00 0.18 -1.33 3.14 5.19 -1.79 -3.44 116.42 118.37 1wyn h ASP 44 Ca 0.00 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 1wyn h ASP 44 Cb 0.00 0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.60 1wyn h ASP 44 CO 0.00 -0.13 0.00 0.61 -3.12 0.00 0.00 179.24 176.60 1wyn n GLY 45 N -1.62 0.64 0.13 2.75 0.00 0.53 -4.36 105.19 103.25 1wyn n GLY 45 Ca 0.38 -0.45 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.25 1.54 -0.06 2.61 -2.24 -1.26 -4.45 114.28 109.17 1wyn n THR 46 Ca 0.00 -0.35 -0.05 0.00 -2.27 0.00 0.00 64.05 61.38 1wyn n THR 46 Cb 0.41 -1.84 -0.05 0.00 -2.10 0.00 0.00 70.33 66.75 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 -0.77 0.63 -0.85 2.28 2.04 -1.89 -3.32 117.51 115.63 1wyn h ILE 47 Ca -0.59 -1.48 0.31 0.00 1.00 0.00 0.00 64.86 64.10 1wyn h ILE 47 Cb 1.62 1.19 -0.11 0.00 -0.74 0.00 0.00 36.82 38.79 1wyn h ILE 47 CO -0.29 0.21 0.52 0.18 0.00 0.00 0.00 178.15 178.77 1wyn n LEU 48 N -4.71 0.18 0.30 1.44 4.77 -1.26 0.93 117.00 118.65 1wyn n LEU 48 Ca -0.04 1.01 -0.14 0.00 -0.03 0.00 0.00 56.01 56.82 1wyn n LEU 48 Cb 0.18 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 40.70 1wyn n LEU 48 CO 0.12 -1.12 0.40 0.00 -1.33 0.00 0.00 177.39 175.46 1wyn h THR 50 N -1.14 0.57 -0.93 0.00 1.35 0.46 -1.56 112.91 111.66 1wyn h THR 50 Ca -0.08 -0.06 0.17 0.00 -0.55 0.00 0.00 66.41 65.89 1wyn h THR 50 Cb 0.65 0.38 -0.17 0.00 -1.73 0.00 0.00 68.15 67.29 1wyn h THR 50 CO 0.13 0.03 -0.28 0.25 -0.25 0.00 0.00 175.52 175.41 1wyn h LEU 51 N 0.17 -1.02 0.48 3.87 5.85 -1.29 0.09 115.31 123.46 1wyn h LEU 51 Ca 0.31 0.28 -0.02 0.00 0.84 0.00 0.00 57.88 59.29 1wyn h LEU 51 Cb 0.48 0.62 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1wyn h LEU 51 CO -0.46 -0.30 -0.23 -0.03 -0.34 0.00 0.00 178.44 177.07 1wyn h MET 52 N -0.01 -0.62 -1.76 1.25 4.05 -1.31 -2.48 114.93 114.05 1wyn h MET 52 Ca 0.41 0.04 0.52 0.00 -0.28 0.00 0.00 59.70 60.40 1wyn h MET 52 Cb 0.66 0.14 -0.08 0.00 -0.80 0.00 0.00 31.60 31.51 1wyn h MET 52 CO -0.95 -0.37 1.25 -0.91 0.23 0.00 0.00 176.91 176.16 1wyn h ASN 53 N -0.74 0.04 0.22 1.39 2.35 -0.69 1.56 115.58 119.70 1wyn h ASN 53 Ca -0.07 0.02 -0.32 0.00 -0.55 0.00 0.00 56.30 55.39 1wyn h ASN 53 Cb 0.54 0.02 0.03 0.00 0.05 0.00 0.00 38.32 38.97 1wyn h ASN 53 CO 0.11 -0.03 -1.35 0.11 -1.65 0.00 0.00 177.43 174.61 1wyn h LYS 54 N 0.01 0.57 0.11 0.81 1.79 -0.91 -3.38 116.57 115.57 1wyn h LYS 54 Ca 0.87 -0.86 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 1wyn h LYS 54 Cb 3.38 0.30 0.00 0.00 -1.58 0.00 0.00 32.23 34.33 1wyn h LYS 54 CO -0.08 1.40 -0.05 -0.07 -1.08 0.00 0.00 179.45 179.57 1wyn h LEU 55 N 0.21 -0.12 -8.83 2.94 3.38 0.23 -3.44 115.31 109.68 1wyn h LEU 55 Ca -0.22 -0.34 -0.65 0.00 0.09 0.00 0.00 57.88 56.77 1wyn h LEU 55 Cb 2.03 0.03 -0.18 0.00 0.09 0.00 0.00 40.66 42.63 1wyn h LEU 55 CO 0.25 0.49 -0.54 -1.58 0.09 0.00 0.00 178.44 177.16 1wyn s GLN 56 N -2.61 3.84 -1.13 1.13 0.74 0.17 -5.01 119.66 116.79 1wyn s GLN 56 Ca -0.10 -0.39 -0.23 0.00 0.05 0.00 0.00 55.36 54.70 1wyn s GLN 56 Cb -0.00 -3.61 -0.08 0.00 1.10 0.00 0.00 33.01 30.42 1wyn s GLN 56 CO 0.35 -0.21 1.94 -1.25 -0.55 0.00 0.00 175.29 175.57 1wyn s PRO 57 N 1.73 2.50 0.00 1.67 0.04 -1.26 -2.74 135.00 136.94 1wyn s PRO 57 Ca 0.07 -0.99 0.00 0.00 0.04 0.00 0.00 61.00 60.12 1wyn s PRO 57 Cb -0.16 -5.21 0.00 0.00 0.04 0.00 0.00 34.50 29.17 1wyn s PRO 57 CO 0.10 -3.87 0.00 0.41 0.04 0.00 0.00 177.00 173.67 1wyn n GLY 58 N 6.02 1.21 0.00 0.56 0.00 -1.26 -5.09 105.19 106.63 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 -4.57 1.61 3.41 -1.11 -4.86 113.62 108.10 1wyn n SER 59 Ca 0.00 0.39 -0.37 0.00 -0.26 0.00 0.00 58.87 58.63 1wyn n SER 59 Cb 0.00 -0.46 -0.11 0.00 -0.26 0.00 0.00 64.21 63.38 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 -0.92 4.97 0.01 -3.33 1.01 -1.26 -4.93 120.40 115.96 1wyn s VAL 60 Ca 0.00 0.05 -0.23 0.00 0.00 0.00 0.00 61.98 61.80 1wyn s VAL 60 Cb 0.00 -3.33 -0.17 0.00 0.00 0.00 0.00 36.38 32.87 1wyn s VAL 60 CO 0.00 0.32 1.31 1.55 0.00 0.00 0.00 175.10 178.28 1wyn h PRO 61 N 7.94 0.18 -2.78 2.72 0.13 -1.99 -3.47 132.00 134.73 1wyn h PRO 61 Ca -0.37 -0.10 -0.10 0.00 -0.87 0.00 0.00 66.00 64.56 1wyn h PRO 61 Cb 1.18 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.11 1wyn h PRO 61 CO 0.60 0.62 -0.16 0.21 -0.23 0.00 0.00 178.00 179.03 1wyn s LYS 62 N -4.28 0.76 -0.05 0.86 2.47 -1.26 -5.17 119.74 113.07 1wyn s LYS 62 Ca -0.15 -0.07 -0.01 0.00 -1.56 0.00 0.00 55.97 54.19 1wyn s LYS 62 Cb 0.03 0.34 -0.03 0.00 -1.46 0.00 0.00 37.83 36.71 1wyn s LYS 62 CO 0.71 -0.22 0.01 0.42 0.16 0.00 0.00 175.35 176.44 1wyn s ILE 63 N -1.26 4.32 0.05 5.43 1.01 -1.26 -5.02 121.20 124.46 1wyn s ILE 63 Ca -0.13 -0.37 -0.33 0.00 0.00 0.00 0.00 60.65 59.82 1wyn s ILE 63 Cb -0.04 -2.87 -0.19 0.00 0.01 0.00 0.00 42.46 39.37 1wyn s ILE 63 CO 0.06 0.50 1.44 0.78 0.00 0.00 0.00 174.94 177.72 1wyn h ASN 64 N 4.77 -0.93 -2.57 3.58 2.35 -1.86 -3.46 115.58 117.47 1wyn h ASN 64 Ca -0.50 0.02 -0.27 0.00 -0.55 0.00 0.00 56.30 55.00 1wyn h ASN 64 Cb 1.19 0.24 -0.06 0.00 0.05 0.00 0.00 38.32 39.74 1wyn h ASN 64 CO 0.56 -0.61 -0.29 0.54 -1.65 0.00 0.00 177.43 175.98 1wyn n ARG 65 N -5.53 -1.74 -2.57 0.81 1.74 -1.26 -4.93 116.66 103.18 1wyn n ARG 65 Ca -0.14 0.71 -0.15 0.00 -0.77 0.00 0.00 57.85 57.50 1wyn n ARG 65 Cb 0.44 -5.14 0.03 0.00 -1.02 0.00 0.00 32.46 26.77 1wyn n ARG 65 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wyn n SER 66 N -1.18 1.67 -0.04 0.55 2.88 -1.26 -5.05 113.62 111.19 1wyn n SER 66 Ca -0.15 -2.13 -0.11 0.00 -1.33 0.00 0.00 58.87 55.15 1wyn n SER 66 Cb 0.53 -0.22 -0.14 0.00 -0.75 0.00 0.00 64.21 63.62 1wyn n SER 66 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1wyn n MET 67 N -1.74 0.66 -1.52 -1.46 1.56 -1.26 -4.72 117.12 108.64 1wyn n MET 67 Ca 0.08 0.23 -0.48 0.00 -0.27 0.00 0.00 57.70 57.26 1wyn n MET 67 Cb 0.42 -1.72 -0.03 0.00 2.15 0.00 0.00 33.22 34.04 1wyn n MET 67 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 175.97 176.28 1wyn n GLN 68 N -3.07 0.76 0.17 2.12 1.13 -1.26 -4.85 117.38 112.39 1wyn n GLN 68 Ca -0.23 0.27 -0.14 0.00 -1.94 0.00 0.00 57.00 54.96 1wyn n GLN 68 Cb 1.07 -1.54 -0.08 0.00 0.11 0.00 0.00 30.24 29.79 1wyn n GLN 68 CO 0.00 0.00 0.00 -0.97 -1.44 0.00 0.00 177.06 174.65 1wyn h ASN 69 N 2.00 -0.37 -0.86 1.08 -0.73 -2.00 -2.37 115.58 112.32 1wyn h ASN 69 Ca -0.37 -0.13 0.16 0.00 1.87 0.00 0.00 56.30 57.83 1wyn h ASN 69 Cb 1.38 0.09 -0.10 0.00 0.27 0.00 0.00 38.32 39.97 1wyn h ASN 69 CO 0.62 -0.07 0.44 4.11 -0.37 0.00 0.00 177.43 182.15 1wyn h TRP 70 N -0.67 0.77 0.32 0.67 0.09 -2.00 -1.72 115.95 113.41 1wyn h TRP 70 Ca -0.04 0.03 -0.01 0.00 0.09 0.00 0.00 58.89 58.96 1wyn h TRP 70 Cb 0.47 -0.21 -0.00 0.00 0.08 0.00 0.00 29.16 29.50 1wyn h TRP 70 CO 0.00 0.16 -0.18 0.45 0.09 0.00 0.00 178.44 178.96 1wyn h HIS 71 N 0.61 -0.48 -0.99 0.12 3.86 -1.90 -1.42 115.15 114.95 1wyn h HIS 71 Ca 0.48 -0.01 0.19 0.00 -1.16 0.00 0.00 60.37 59.88 1wyn h HIS 71 Cb 0.71 0.17 -0.10 0.00 1.06 0.00 0.00 27.41 29.25 1wyn h HIS 71 CO -0.09 -0.29 0.61 1.96 0.86 0.00 0.00 177.93 180.98 1wyn h GLN 72 N -0.48 0.68 0.17 2.45 4.20 -0.80 -1.66 115.11 119.67 1wyn h GLN 72 Ca -0.04 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1wyn h GLN 72 Cb 0.39 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1wyn h GLN 72 CO 0.05 0.45 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.51 1wyn h LEU 73 N 0.70 -0.19 -1.00 1.46 -0.00 -0.94 -3.02 115.31 112.32 1wyn h LEU 73 Ca 0.56 -0.21 0.36 0.00 -0.00 0.00 0.00 57.88 58.58 1wyn h LEU 73 Cb 0.95 0.05 -0.16 0.00 -0.00 0.00 0.00 40.66 41.50 1wyn h LEU 73 CO -0.34 0.12 0.55 -0.08 -0.00 0.00 0.00 178.44 178.69 1wyn h GLU 74 N -0.51 0.19 0.20 1.13 4.57 -0.30 0.62 114.58 120.48 1wyn h GLU 74 Ca -0.02 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1wyn h GLU 74 Cb 0.39 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.90 1wyn h GLU 74 CO 0.04 0.13 -0.47 -0.91 -1.18 0.00 0.00 179.01 176.61 1wyn h ASN 75 N 0.20 -1.38 -0.25 1.04 2.35 -1.37 0.49 115.58 116.66 1wyn h ASN 75 Ca 0.78 0.14 0.02 0.00 -0.55 0.00 0.00 56.30 56.69 1wyn h ASN 75 Cb 1.89 0.50 -0.03 0.00 0.05 0.00 0.00 38.32 40.74 1wyn h ASN 75 CO -0.67 -0.55 0.10 -0.07 -1.65 0.00 0.00 177.43 174.58 1wyn h LEU 76 N -0.76 0.12 -1.04 1.61 3.38 -0.99 -1.14 115.31 116.49 1wyn h LEU 76 Ca -0.00 0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.16 1wyn h LEU 76 Cb 0.75 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.41 1wyn h LEU 76 CO -0.22 0.10 0.62 0.28 0.09 0.00 0.00 178.44 179.31 1wyn h SER 77 N 0.22 0.81 0.20 -0.43 0.02 -0.96 0.12 113.55 113.52 1wyn h SER 77 Ca 0.11 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 1wyn h SER 77 Cb 0.07 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1wyn h SER 77 CO -0.10 0.34 -0.09 0.78 -1.14 0.00 0.00 176.83 176.61 1wyn h ASN 78 N 0.82 -0.22 -0.46 3.07 2.35 -0.22 -2.87 115.58 118.05 1wyn h ASN 78 Ca 0.55 -0.29 0.08 0.00 -0.55 0.00 0.00 56.30 56.08 1wyn h ASN 78 Cb 0.78 0.06 -0.07 0.00 0.05 0.00 0.00 38.32 39.14 1wyn h ASN 78 CO -0.33 0.23 0.07 0.15 -1.65 0.00 0.00 177.43 175.90 1wyn h PHE 79 N -0.73 0.11 0.13 1.19 3.57 -0.60 -1.17 116.94 119.43 1wyn h PHE 79 Ca -0.03 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1wyn h PHE 79 Cb 0.50 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 1wyn h PHE 79 CO 0.06 -0.02 -0.38 0.82 -2.23 0.00 0.00 178.31 176.56 1wyn h ILE 80 N 0.20 0.00 -0.94 1.41 2.04 -0.83 -0.87 117.51 118.52 1wyn h ILE 80 Ca 0.23 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.28 1wyn h ILE 80 Cb 0.31 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.28 1wyn h ILE 80 CO -0.32 0.00 0.51 0.11 0.00 0.00 0.00 178.15 178.46 1wyn h LYS 81 N -0.57 0.59 -0.73 2.37 1.57 -1.28 0.50 116.57 119.03 1wyn h LYS 81 Ca -0.01 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1wyn h LYS 81 Cb 0.55 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.68 1wyn h LYS 81 CO -0.18 0.39 0.44 0.00 -0.57 0.00 0.00 179.45 179.53 1wyn h ALA 82 N 1.65 0.98 -0.19 3.86 0.00 -0.41 -2.59 119.26 122.55 1wyn h ALA 82 Ca 0.55 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.50 1wyn h ALA 82 Cb 0.92 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1wyn h ALA 82 CO -0.43 0.18 -0.07 0.52 0.00 0.00 0.00 179.25 179.45 1wyn h MET 83 N 0.83 -0.04 -0.95 0.00 2.86 0.47 -1.86 114.93 116.25 1wyn h MET 83 Ca 0.31 0.00 0.28 0.00 -2.06 0.00 0.00 59.70 58.23 1wyn h MET 83 Cb 0.11 0.01 -0.14 0.00 0.06 0.00 0.00 31.60 31.63 1wyn h MET 83 CO -0.15 -0.03 0.43 0.28 1.06 0.00 0.00 176.91 178.50 1wyn h VAL 84 N -0.04 0.32 -0.49 -2.22 2.07 -1.24 0.35 116.25 115.00 1wyn h VAL 84 Ca 0.10 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 1wyn h VAL 84 Cb 0.19 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 1wyn h VAL 84 CO -0.22 0.05 0.04 -1.28 0.02 0.00 0.00 177.57 176.18 1wyn h SER 85 N 0.29 0.81 -0.59 0.57 0.87 -1.31 -3.13 113.55 111.06 1wyn h SER 85 Ca 0.65 -0.28 0.11 0.00 -1.23 0.00 0.00 61.79 61.04 1wyn h SER 85 Cb 1.40 -0.22 -0.12 0.00 -0.44 0.00 0.00 62.40 63.02 1wyn h SER 85 CO -0.62 0.89 -0.27 0.22 -0.53 0.00 0.00 176.83 176.52 1wyn h TYR 86 N 0.70 -0.72 0.00 2.24 3.20 0.04 -3.45 116.97 118.99 1wyn h TYR 86 Ca 0.14 0.07 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1wyn h TYR 86 Cb 0.45 0.40 0.00 0.00 1.54 0.00 0.00 36.73 39.12 1wyn h TYR 86 CO 0.03 -0.35 0.00 0.41 -1.64 0.00 0.00 178.16 176.61 1wyn n GLY 87 N -1.44 0.00 4.00 1.82 0.00 -1.11 -5.14 105.19 103.33 1wyn n GLY 87 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 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 1.74 0.33 1.61 -1.94 -1.25 -5.08 119.30 114.72 1wyn s MET 88 Ca 0.00 -1.25 0.02 0.00 -1.71 0.00 0.00 55.69 52.75 1wyn s MET 88 Cb 0.00 -2.39 -0.03 0.00 2.01 0.00 0.00 34.83 34.43 1wyn s MET 88 CO 0.00 -1.38 0.51 -0.80 -0.01 0.00 0.00 175.02 173.34 1wyn s ASN 89 N -4.74 6.22 0.00 3.03 -0.87 -1.26 -4.89 114.94 112.42 1wyn s ASN 89 Ca 0.66 0.29 0.15 0.00 -1.57 0.00 0.00 52.86 52.39 1wyn s ASN 89 Cb -0.05 -1.87 0.77 0.00 -0.02 0.00 0.00 41.25 40.08 1wyn s ASN 89 CO 0.44 -0.30 1.40 -0.81 -2.57 0.00 0.00 177.10 175.26 1wyn n PRO 90 N -1.72 0.25 -0.00 -0.60 -0.04 -1.26 -2.45 135.00 129.18 1wyn n PRO 90 Ca -0.05 0.12 0.02 0.00 -0.04 0.00 0.00 63.50 63.56 1wyn n PRO 90 Cb 0.57 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.50 1wyn n PRO 90 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1wyn n VAL 91 N -1.24 0.00 0.72 0.52 3.14 -1.26 -4.57 118.33 115.63 1wyn n VAL 91 Ca 0.08 -0.09 0.01 0.00 -2.96 0.00 0.00 64.34 61.37 1wyn n VAL 91 Cb 0.11 0.43 0.06 0.00 -1.06 0.00 0.00 33.84 33.37 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 -1.62 1.85 -4.88 6.55 9.92 -1.02 -4.83 116.55 122.51 1wyn n ASP 92 Ca -0.01 -2.15 -0.29 0.00 -0.53 0.00 0.00 54.79 51.82 1wyn n ASP 92 Cb 0.10 -0.53 -0.02 0.00 -0.64 0.00 0.00 41.12 40.03 1wyn n ASP 92 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1wyn s LEU 93 N -0.41 2.51 -0.02 0.64 1.43 -1.25 -4.22 118.68 117.36 1wyn s LEU 93 Ca 0.08 -1.40 -0.05 0.00 -1.03 0.00 0.00 54.13 51.73 1wyn s LEU 93 Cb 0.06 -1.00 0.00 0.00 0.03 0.00 0.00 46.19 45.29 1wyn s LEU 93 CO 0.02 -1.11 0.11 0.72 0.23 0.00 0.00 176.35 176.32 1wyn s PHE 94 N -2.83 -0.01 1.32 0.29 -0.71 -1.26 -4.83 117.98 109.94 1wyn s PHE 94 Ca 0.24 0.03 -0.22 0.00 -1.04 0.00 0.00 56.93 55.94 1wyn s PHE 94 Cb -0.02 -0.02 0.33 0.00 -1.21 0.00 0.00 43.02 42.10 1wyn s PHE 94 CO 0.15 -0.16 1.05 -1.21 -1.34 0.00 0.00 175.22 173.71 1wyn s GLU 95 N -0.69 -2.13 0.00 1.99 8.01 -1.26 -4.90 118.70 119.72 1wyn s GLU 95 Ca -0.08 -0.12 0.22 0.00 0.01 0.00 0.00 54.97 55.00 1wyn s GLU 95 Cb -0.05 -1.49 0.03 0.00 -4.31 0.00 0.00 34.13 28.31 1wyn s GLU 95 CO 0.01 -4.30 1.08 0.00 0.01 0.00 0.00 175.26 172.05 1wyn n ALA 96 N -5.17 4.30 -0.06 5.21 0.00 -1.26 -4.32 120.51 119.21 1wyn n ALA 96 Ca 0.15 -0.51 -0.22 0.00 0.00 0.00 0.00 53.44 52.86 1wyn n ALA 96 Cb 0.60 -0.89 -0.13 0.00 0.00 0.00 0.00 19.45 19.03 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 -1.52 2.03 -0.33 0.00 0.23 -1.26 -3.50 115.26 110.91 1wyn n ASN 97 Ca 0.04 0.20 0.15 0.00 -0.53 0.00 0.00 54.58 54.45 1wyn n ASN 97 Cb 0.34 -0.80 0.30 0.00 -2.08 0.00 0.00 39.78 37.54 1wyn n ASN 97 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1wyn n ASP 98 N -3.72 -0.09 -0.05 0.53 5.68 -1.26 -0.05 116.55 117.59 1wyn n ASP 98 Ca -0.37 1.65 -0.12 0.00 -0.50 0.00 0.00 54.79 55.44 1wyn n ASP 98 Cb 0.94 -0.61 -0.11 0.00 -1.14 0.00 0.00 41.12 40.21 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 -0.02 -0.00 -2.12 5.85 -1.77 1.36 115.31 118.61 1wyn h LEU 99 Ca 0.60 -0.78 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1wyn h LEU 99 Cb 1.25 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 1wyn h LEU 99 CO -0.91 0.83 -0.11 0.15 -0.34 0.00 0.00 178.44 178.06 1wyn h PHE 100 N -0.91 -0.34 -0.19 1.25 3.57 -1.02 -1.45 116.94 117.85 1wyn h PHE 100 Ca -0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1wyn h PHE 100 Cb 0.80 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1wyn h PHE 100 CO 0.21 -0.12 0.00 0.39 -2.23 0.00 0.00 178.31 176.56 1wyn n GLU 101 N -3.14 2.17 -2.64 1.11 4.71 0.93 -4.85 120.64 118.93 1wyn n GLU 101 Ca -0.02 -1.00 -0.11 0.00 -0.01 0.00 0.00 57.16 56.03 1wyn n GLU 101 Cb 0.08 -1.68 -0.01 0.00 -1.01 0.00 0.00 31.44 28.83 1wyn n GLU 101 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1wyn n SER 102 N 0.20 -2.92 -0.08 1.62 3.41 -0.43 -4.78 113.62 110.63 1wyn n SER 102 Ca 0.09 0.17 0.13 0.00 -0.26 0.00 0.00 58.87 59.00 1wyn n SER 102 Cb 0.51 -2.52 0.51 0.00 -0.26 0.00 0.00 64.21 62.45 1wyn n SER 102 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1wyn h GLY 103 N -0.16 0.55 -6.00 5.00 0.00 0.16 -3.40 103.07 99.23 1wyn h GLY 103 Ca -0.23 -0.16 0.08 0.00 0.00 0.00 0.00 47.33 47.02 1wyn h GLY 103 CO 0.28 0.09 -0.28 0.21 0.00 0.00 0.00 176.54 176.83 1wyn s ASN 104 N -6.23 -1.40 0.13 0.19 2.47 -0.88 -4.96 114.94 104.26 1wyn s ASN 104 Ca -0.08 0.53 -0.03 0.00 0.42 0.00 0.00 52.86 53.70 1wyn s ASN 104 Cb 0.20 2.04 -0.09 0.00 -1.45 0.00 0.00 41.25 41.94 1wyn s ASN 104 CO 0.75 -0.26 1.30 0.24 -3.72 0.00 0.00 177.10 175.41 1wyn h MET 105 N 7.97 0.36 -0.50 0.43 2.86 -1.79 -3.24 114.93 121.02 1wyn h MET 105 Ca -0.13 -0.41 -0.08 0.00 -2.06 0.00 0.00 59.70 57.03 1wyn h MET 105 Cb 1.17 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.93 1wyn h MET 105 CO 0.18 1.09 -0.01 0.00 1.06 0.00 0.00 176.91 179.24 1wyn h THR 106 N 0.20 1.25 -1.00 2.22 1.03 -1.95 0.29 112.91 114.94 1wyn h THR 106 Ca -0.08 -1.05 0.03 0.00 -0.01 0.00 0.00 66.41 65.30 1wyn h THR 106 Cb 1.59 0.87 -0.05 0.00 -1.07 0.00 0.00 68.15 69.49 1wyn h THR 106 CO 0.16 0.37 0.66 -0.61 -0.01 0.00 0.00 175.52 176.09 1wyn h GLN 107 N 0.79 1.27 0.06 0.00 5.75 -1.92 -0.39 115.11 120.67 1wyn h GLN 107 Ca 0.15 -0.08 -0.25 0.00 -0.15 0.00 0.00 58.65 58.32 1wyn h GLN 107 Cb 0.48 -0.29 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 1wyn h GLN 107 CO 0.02 0.84 -1.21 0.28 -2.65 0.00 0.00 178.83 176.11 1wyn h VAL 108 N 1.31 1.51 0.30 2.39 2.07 -1.55 -3.25 116.25 119.02 1wyn h VAL 108 Ca 0.39 -3.16 -0.01 0.00 0.82 0.00 0.00 66.70 64.73 1wyn h VAL 108 Cb -0.06 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1wyn h VAL 108 CO -0.11 0.89 -0.14 -0.61 0.02 0.00 0.00 177.57 177.62 1wyn h GLN 109 N 0.04 -0.39 -0.82 1.57 4.15 -0.47 -3.04 115.11 116.15 1wyn h GLN 109 Ca -0.10 0.03 0.14 0.00 0.77 0.00 0.00 58.65 59.48 1wyn h GLN 109 Cb 1.89 0.09 -0.09 0.00 0.21 0.00 0.00 27.48 29.58 1wyn h GLN 109 CO 0.16 -0.14 0.41 -0.39 -1.93 0.00 0.00 178.83 176.94 1wyn h VAL 110 N -0.59 0.75 -0.53 2.39 -1.51 -1.22 -1.37 116.25 114.17 1wyn h VAL 110 Ca -0.04 -0.21 0.11 0.00 -1.23 0.00 0.00 66.70 65.33 1wyn h VAL 110 Cb 0.43 0.08 -0.09 0.00 -2.13 0.00 0.00 31.29 29.58 1wyn h VAL 110 CO 0.07 0.11 -0.06 -1.28 -1.23 0.00 0.00 177.57 175.18 1wyn h SER 111 N 0.61 -0.35 -0.50 4.19 0.87 -1.56 0.24 113.55 117.04 1wyn h SER 111 Ca 0.44 0.14 -0.09 0.00 -1.23 0.00 0.00 61.79 61.05 1wyn h SER 111 Cb 0.60 0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.81 1wyn h SER 111 CO -0.35 -0.13 -0.03 -0.07 -0.53 0.00 0.00 176.83 175.73 1wyn h LEU 112 N 0.06 0.89 -2.04 2.23 3.38 -1.20 0.18 115.31 118.80 1wyn h LEU 112 Ca 0.26 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1wyn h LEU 112 Cb 0.41 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1wyn h LEU 112 CO -0.49 0.99 -0.09 -0.07 0.09 0.00 0.00 178.44 178.87 1wyn h LEU 113 N 0.76 0.00 0.06 1.67 3.38 -0.26 0.23 115.31 121.16 1wyn h LEU 113 Ca 0.14 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.77 1wyn h LEU 113 Cb 0.56 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1wyn h LEU 113 CO 0.03 0.09 -1.93 0.00 0.09 0.00 0.00 178.44 176.73 1wyn n ALA 114 N -2.28 1.18 0.08 1.53 0.00 0.71 -3.52 120.51 118.21 1wyn n ALA 114 Ca -0.02 -0.72 -0.08 0.00 0.00 0.00 0.00 53.44 52.63 1wyn n ALA 114 Cb 0.20 -0.70 0.03 0.00 0.00 0.00 0.00 19.45 18.99 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 0.26 0.03 0.00 5.85 -0.30 -3.30 115.31 117.89 1wyn h LEU 115 Ca -0.38 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.15 1wyn h LEU 115 Cb 2.03 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.98 1wyn h LEU 115 CO 0.07 0.95 -0.01 0.00 -0.34 0.00 0.00 178.44 179.11 1wyn h ALA 116 N 1.04 -0.03 -1.31 1.25 0.00 -0.72 -2.38 119.26 117.12 1wyn h ALA 116 Ca -0.03 -0.21 0.38 0.00 0.00 0.00 0.00 54.91 55.05 1wyn h ALA 116 Cb 1.38 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.11 1wyn h ALA 116 CO 0.12 -0.30 0.90 0.78 0.00 0.00 0.00 179.25 180.75 1wyn h GLY 117 N -0.46 0.52 0.64 0.00 0.00 -1.63 0.39 103.07 102.52 1wyn h GLY 117 Ca -0.00 -0.07 -0.23 0.00 0.00 0.00 0.00 47.33 47.03 1wyn h GLY 117 CO 0.01 -0.11 -1.07 1.70 0.00 0.00 0.00 176.54 177.07 1wyn h LYS 118 N 0.10 0.28 0.00 4.80 3.64 -1.62 -3.32 116.57 120.45 1wyn h LYS 118 Ca 0.68 -0.48 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 1wyn h LYS 118 Cb 2.40 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 34.39 1wyn h LYS 118 CO -0.15 1.23 -0.15 0.00 -2.27 0.00 0.00 179.45 178.11 1wyn h ALA 119 N 0.02 1.54 -1.01 5.00 0.00 -0.23 -2.64 119.26 121.95 1wyn h ALA 119 Ca -0.21 -0.14 0.24 0.00 0.00 0.00 0.00 54.91 54.80 1wyn h ALA 119 Cb 1.70 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 19.37 1wyn h ALA 119 CO 0.11 0.19 0.64 0.87 0.00 0.00 0.00 179.25 181.06 1wyn h LYS 120 N 0.00 0.48 -1.79 0.00 1.57 -0.47 0.11 116.57 116.47 1wyn h LYS 120 Ca -0.00 -0.03 0.53 0.00 -1.87 0.00 0.00 60.65 59.28 1wyn h LYS 120 Cb 0.31 -0.11 -0.08 0.00 0.08 0.00 0.00 32.23 32.42 1wyn h LYS 120 CO 0.02 0.32 1.28 0.00 -0.57 0.00 0.00 179.45 180.50 1wyn h THR 121 N 0.50 0.07 0.06 -0.16 1.03 -1.66 0.48 112.91 113.23 1wyn h THR 121 Ca 0.58 -0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.97 1wyn h THR 121 Cb 1.29 0.06 0.00 0.00 -1.07 0.00 0.00 68.15 68.43 1wyn h THR 121 CO -0.32 0.00 -0.03 0.11 -0.01 0.00 0.00 175.52 175.28 1wyn h LYS 122 N 0.01 -0.07 -2.20 0.00 6.56 -1.21 -3.39 116.57 116.27 1wyn h LYS 122 Ca 0.88 0.00 -0.59 0.00 -1.06 0.00 0.00 60.65 59.88 1wyn h LYS 122 Cb 3.44 0.02 -0.42 0.00 -0.57 0.00 0.00 32.23 34.70 1wyn h LYS 122 CO -0.07 0.54 -0.63 0.41 -2.06 0.00 0.00 179.45 177.65 1wyn n GLY 123 N 1.01 4.91 3.60 3.86 0.00 0.15 -4.96 105.19 113.75 1wyn n GLY 123 Ca -0.08 -2.72 -0.30 0.00 0.00 0.00 0.00 46.02 42.92 1wyn n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wyn s LEU 124 N -2.65 0.85 0.08 0.99 1.43 -0.05 -4.87 118.68 114.46 1wyn s LEU 124 Ca 0.42 0.83 -0.19 0.00 -1.03 0.00 0.00 54.13 54.16 1wyn s LEU 124 Cb 0.18 -2.67 0.04 0.00 0.03 0.00 0.00 46.19 43.77 1wyn s LEU 124 CO -0.04 -3.92 0.44 0.00 0.23 0.00 0.00 176.35 173.06 1wyn s GLN 125 N -5.23 1.02 -0.03 1.70 -2.07 -1.26 -5.10 119.66 108.69 1wyn s GLN 125 Ca 0.69 -0.46 -0.30 0.00 -1.82 0.00 0.00 55.36 53.47 1wyn s GLN 125 Cb -0.13 0.45 -0.06 0.00 -1.09 0.00 0.00 33.01 32.18 1wyn s GLN 125 CO 0.57 -0.38 1.66 -1.12 -1.32 0.00 0.00 175.29 174.70 1wyn s SER 126 N -2.32 6.66 0.12 12.60 0.01 -1.26 -4.95 113.70 124.56 1wyn s SER 126 Ca -0.02 2.29 -0.26 0.00 1.31 0.00 0.00 55.95 59.27 1wyn s SER 126 Cb 0.00 -2.54 0.08 0.00 0.21 0.00 0.00 66.02 63.77 1wyn s SER 126 CO -0.06 -0.92 1.03 -0.83 0.41 0.00 0.00 173.24 172.87 1wyn s GLY 127 N 3.21 -0.27 0.12 3.44 0.00 -1.26 -5.13 107.32 107.43 1wyn s GLY 127 Ca 0.74 0.25 -0.35 0.00 0.00 0.00 0.00 44.72 45.36 1wyn s GLY 127 CO 0.30 0.03 1.20 -0.62 0.00 0.00 0.00 173.10 174.02 1wyn n VAL 128 N -0.47 0.46 -3.49 1.40 0.31 -1.26 -4.92 118.33 110.36 1wyn n VAL 128 Ca -0.07 -0.12 -0.42 0.00 -0.01 0.00 0.00 64.34 63.73 1wyn n VAL 128 Cb 0.61 -0.71 -0.10 0.00 -0.91 0.00 0.00 33.84 32.73 1wyn n VAL 128 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1wyn s ASP 129 N 0.16 6.06 -0.56 4.52 1.47 -1.26 -4.99 116.67 122.07 1wyn s ASP 129 Ca 0.79 -0.82 0.06 0.00 1.18 0.00 0.00 52.55 53.77 1wyn s ASP 129 Cb -0.94 -2.14 0.23 0.00 -0.34 0.00 0.00 42.92 39.73 1wyn s ASP 129 CO 0.51 -0.40 0.62 -0.38 0.68 0.00 0.00 175.17 176.19 1wyn n ILE 130 N 5.13 1.13 0.00 2.11 5.41 -1.26 -5.02 119.36 126.86 1wyn n ILE 130 Ca -0.11 -4.69 0.00 0.00 1.00 0.00 0.00 62.75 58.94 1wyn n ILE 130 Cb 0.47 -2.04 0.00 0.00 -0.71 0.00 0.00 39.64 37.37 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 1.32 0.47 3.45 7.39 0.00 -1.26 -4.76 105.19 111.80 1wyn n GLY 131 Ca 0.26 0.66 -0.44 0.00 0.00 0.00 0.00 46.02 46.50 1wyn n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wyn s VAL 132 N 0.00 5.01 -0.29 1.61 1.01 -1.26 -4.82 120.40 121.66 1wyn s VAL 132 Ca 0.00 -0.54 -0.15 0.00 0.00 0.00 0.00 61.98 61.29 1wyn s VAL 132 Cb 0.00 -4.18 0.12 0.00 0.00 0.00 0.00 36.38 32.32 1wyn s VAL 132 CO 0.00 -0.64 0.81 -0.75 0.00 0.00 0.00 175.10 174.52 1wyn s LYS 133 N 2.29 0.52 0.70 2.72 2.20 -1.26 -5.04 119.74 121.86 1wyn s LYS 133 Ca 0.12 1.03 -0.14 0.00 -0.36 0.00 0.00 55.97 56.63 1wyn s LYS 133 Cb -0.19 0.33 0.02 0.00 -1.51 0.00 0.00 37.83 36.48 1wyn s LYS 133 CO 0.12 -0.13 1.12 0.71 -0.36 0.00 0.00 175.35 176.81 1wyn s TYR 134 N 1.97 2.49 -0.18 4.03 2.02 -1.26 -4.92 117.35 121.49 1wyn s TYR 134 Ca -0.08 1.57 -0.32 0.00 -0.37 0.00 0.00 57.07 57.88 1wyn s TYR 134 Cb -0.06 -3.20 0.14 0.00 -0.40 0.00 0.00 41.96 38.44 1wyn s TYR 134 CO -0.18 -1.89 1.14 0.45 -1.57 0.00 0.00 175.55 173.50 1wyn s SER 135 N -2.62 -0.21 -0.21 2.29 0.15 -1.26 -5.17 113.70 106.67 1wyn s SER 135 Ca 0.67 0.13 -0.08 0.00 0.70 0.00 0.00 55.95 57.37 1wyn s SER 135 Cb -0.21 0.19 0.09 0.00 -1.71 0.00 0.00 66.02 64.38 1wyn s SER 135 CO 0.45 -0.27 0.47 -1.83 1.20 0.00 0.00 173.24 173.26 1wyn s GLU 136 N -1.79 0.40 -0.19 5.44 1.03 -1.26 -5.06 118.70 117.27 1wyn s GLU 136 Ca 0.05 1.05 -0.33 0.00 0.03 0.00 0.00 54.97 55.77 1wyn s GLU 136 Cb -0.01 0.31 0.14 0.00 -0.80 0.00 0.00 34.13 33.78 1wyn s GLU 136 CO -0.04 -0.22 1.19 0.21 -1.33 0.00 0.00 175.26 175.07 1wyn s LYS 137 N 2.32 0.33 -0.00 -4.83 2.20 -1.26 -5.18 119.74 113.32 1wyn s LYS 137 Ca -0.05 -0.07 0.02 0.00 -0.36 0.00 0.00 55.97 55.51 1wyn s LYS 137 Cb -0.11 0.15 -0.01 0.00 -1.51 0.00 0.00 37.83 36.36 1wyn s LYS 137 CO -0.14 -0.14 -0.06 1.14 -0.36 0.00 0.00 175.35 175.79 1wyn s GLN 138 N -2.10 0.50 -0.30 4.03 0.00 -1.26 -5.14 119.66 115.40 1wyn s GLN 138 Ca 0.08 -0.23 -0.13 0.00 -0.00 0.00 0.00 55.36 55.08 1wyn s GLN 138 Cb -0.01 -0.48 0.13 0.00 0.00 0.00 0.00 33.01 32.65 1wyn s GLN 138 CO -0.05 0.13 0.80 -2.00 0.00 0.00 0.00 175.29 174.17 1wyn s GLU 139 N -0.17 0.49 0.88 9.60 2.12 -1.26 -5.17 118.70 125.19 1wyn s GLU 139 Ca 0.02 1.11 -0.12 0.00 0.36 0.00 0.00 54.97 56.34 1wyn s GLU 139 Cb -0.03 0.53 0.12 0.00 0.26 0.00 0.00 34.13 35.02 1wyn s GLU 139 CO -0.00 -0.15 1.15 1.03 -0.54 0.00 0.00 175.26 176.75 1wyn s ARG 140 N 2.37 1.41 -0.08 4.30 3.00 -1.26 -5.09 118.95 123.60 1wyn s ARG 140 Ca -0.06 0.23 -0.30 0.00 0.00 0.00 0.00 55.73 55.60 1wyn s ARG 140 Cb -0.08 -1.88 0.10 0.00 0.00 0.00 0.00 34.95 33.09 1wyn s ARG 140 CO -0.18 -2.00 0.83 -1.54 0.00 0.00 0.00 175.30 172.41 1wyn s SER 141 N -4.21 -0.51 0.00 0.23 1.04 -1.26 -5.11 113.70 103.88 1wyn s SER 141 Ca 0.63 0.49 0.00 0.00 0.48 0.00 0.00 55.95 57.55 1wyn s SER 141 Cb -0.14 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1wyn s SER 141 CO 0.52 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.83 1wyn n GLY 142 N 0.68 -0.65 0.00 7.32 0.00 -1.26 -4.94 105.19 106.33 1wyn n GLY 142 Ca -0.14 0.41 0.07 0.00 0.00 0.00 0.00 46.02 46.36 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 0.22 0.12 1.61 -0.04 -1.26 -1.49 135.00 134.16 1wyn n PRO 143 Ca 0.00 0.14 -0.13 0.00 -0.04 0.00 0.00 63.50 63.47 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 0.77 -0.04 0.00 0.00 175.50 176.23 1wyn h SER 144 N 0.00 -0.27 0.00 3.54 0.02 -1.99 -3.38 113.55 111.47 1wyn h SER 144 Ca 0.00 -0.20 -0.31 0.00 -0.84 0.00 0.00 61.79 60.44 1wyn h SER 144 Cb 0.13 0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.69 1wyn h SER 144 CO 0.00 0.07 -2.17 -1.54 -1.14 0.00 0.00 176.83 172.06 1wyn n SER 145 N -5.09 2.34 0.00 3.07 3.41 -1.21 -4.96 113.62 111.18 1wyn n SER 145 Ca -0.09 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 1wyn n SER 145 Cb 0.24 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1wyn n SER 145 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49