#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 -1.92 -4.44 1.61 0.02 -2.13 -3.40 113.55 103.29 1wyn h SER 2 Ca 0.00 0.29 -0.65 0.00 -0.84 0.00 0.00 61.79 60.59 1wyn h SER 2 Cb 0.00 0.85 -0.29 0.00 0.14 0.00 0.00 62.40 63.10 1wyn h SER 2 CO 0.00 -0.22 -0.87 -0.94 -1.14 0.00 0.00 176.83 173.66 1wyn s SER 3 N -5.21 2.78 0.00 3.07 1.04 -1.26 -5.01 113.70 109.12 1wyn s SER 3 Ca -0.11 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.85 1wyn s SER 3 Cb 0.10 -0.29 0.00 0.00 0.10 0.00 0.00 66.02 65.93 1wyn s SER 3 CO 0.56 0.26 0.00 0.61 0.98 0.00 0.00 173.24 175.65 1wyn n GLY 4 N 2.26 0.29 3.71 7.32 0.00 -1.26 -5.19 105.19 112.31 1wyn n GLY 4 Ca -0.16 -0.13 -0.08 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.19 -0.51 1.61 0.01 -1.26 -4.86 113.70 108.50 1wyn s SER 5 Ca 0.00 -0.73 -0.16 0.00 1.31 0.00 0.00 55.95 56.37 1wyn s SER 5 Cb 0.00 0.65 0.10 0.00 0.21 0.00 0.00 66.02 66.98 1wyn s SER 5 CO 0.00 -1.23 0.47 -0.44 0.41 0.00 0.00 173.24 172.45 1wyn s SER 6 N -2.96 6.17 0.00 2.44 0.01 -1.26 -4.56 113.70 113.55 1wyn s SER 6 Ca 0.16 -1.53 0.00 0.00 1.31 0.00 0.00 55.95 55.88 1wyn s SER 6 Cb -0.03 -2.20 0.00 0.00 0.21 0.00 0.00 66.02 63.99 1wyn s SER 6 CO 0.07 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 173.55 1wyn n GLY 7 N 5.23 0.00 3.34 3.44 0.00 -1.26 -5.18 105.19 110.76 1wyn n GLY 7 Ca -0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 2.27 0.45 1.61 4.22 -1.26 -5.14 114.94 117.08 1wyn s ASN 8 Ca 0.00 -1.11 -0.20 0.00 -2.14 0.00 0.00 52.86 49.41 1wyn s ASN 8 Cb 0.00 -0.08 -0.10 0.00 1.28 0.00 0.00 41.25 42.34 1wyn s ASN 8 CO 0.00 -0.33 0.96 0.00 -2.04 0.00 0.00 177.10 175.70 1wyn s ARG 9 N -3.74 4.15 0.17 3.55 3.03 -1.26 -5.07 118.95 119.78 1wyn s ARG 9 Ca 0.24 1.12 0.04 0.00 2.03 0.00 0.00 55.73 59.17 1wyn s ARG 9 Cb 0.03 -2.17 -0.04 0.00 -1.03 0.00 0.00 34.95 31.74 1wyn s ARG 9 CO 0.07 -0.10 0.21 -0.48 -1.13 0.00 0.00 175.30 173.87 1wyn s LEU 10 N -3.33 4.05 0.19 -1.89 0.05 -1.26 -5.12 118.68 111.36 1wyn s LEU 10 Ca 0.62 -0.01 -0.16 0.00 0.05 0.00 0.00 54.13 54.63 1wyn s LEU 10 Cb -0.10 -2.63 0.02 0.00 -2.05 0.00 0.00 46.19 41.43 1wyn s LEU 10 CO 0.16 0.05 0.48 -0.76 -0.55 0.00 0.00 176.35 175.73 1wyn s LEU 11 N -3.24 0.21 -1.08 1.48 1.02 -1.26 -5.09 118.68 110.72 1wyn s LEU 11 Ca 0.33 -0.52 -0.20 0.00 0.02 0.00 0.00 54.13 53.75 1wyn s LEU 11 Cb -0.10 2.00 0.08 0.00 0.02 0.00 0.00 46.19 48.19 1wyn s LEU 11 CO 0.26 -1.02 1.45 -0.94 0.02 0.00 0.00 176.35 176.12 1wyn s SER 12 N -2.88 6.65 0.38 2.29 1.04 -1.26 -4.90 113.70 115.02 1wyn s SER 12 Ca 0.10 -1.92 -0.12 0.00 0.48 0.00 0.00 55.95 54.50 1wyn s SER 12 Cb -0.00 -2.53 0.04 0.00 0.10 0.00 0.00 66.02 63.63 1wyn s SER 12 CO -0.03 -1.29 0.70 -1.59 0.98 0.00 0.00 173.24 172.02 1wyn s LYS 13 N 4.10 2.17 0.40 4.02 -2.85 -1.26 -5.07 119.74 121.25 1wyn s LYS 13 Ca 0.45 -1.56 -0.19 0.00 -1.00 0.00 0.00 55.97 53.68 1wyn s LYS 13 Cb -0.00 0.58 -0.14 0.00 -2.06 0.00 0.00 37.83 36.20 1wyn s LYS 13 CO -0.05 -0.99 0.03 0.98 0.10 0.00 0.00 175.35 175.42 1wyn n TYR 14 N -0.55 -2.15 -3.64 1.78 4.19 -1.26 -4.99 117.16 110.54 1wyn n TYR 14 Ca -0.06 0.54 -0.14 0.00 3.31 0.00 0.00 57.90 61.56 1wyn n TYR 14 Cb 0.60 -1.64 -0.07 0.00 0.49 0.00 0.00 39.34 38.73 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 -0.93 -0.74 0.33 2.98 -1.08 -1.26 -5.04 116.67 110.93 1wyn s ASP 15 Ca 0.55 1.41 0.13 0.00 -0.52 0.00 0.00 52.55 54.12 1wyn s ASP 15 Cb -0.56 1.43 0.58 0.00 -1.46 0.00 0.00 42.92 42.91 1wyn s ASP 15 CO 0.59 -0.24 1.74 1.55 0.52 0.00 0.00 175.17 179.33 1wyn h PRO 16 N 5.08 0.00 0.22 4.34 0.13 -2.01 -2.67 132.00 137.09 1wyn h PRO 16 Ca -0.29 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.51 1wyn h PRO 16 Cb 1.16 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.32 1wyn h PRO 16 CO 0.06 0.47 -1.51 1.96 -0.23 0.00 0.00 178.00 178.76 1wyn h GLN 17 N 0.00 0.47 -0.19 0.86 4.20 -2.01 -3.35 115.11 115.09 1wyn h GLN 17 Ca -0.00 -0.80 0.00 0.00 0.06 0.00 0.00 58.65 57.91 1wyn h GLN 17 Cb 0.85 0.30 -0.01 0.00 0.30 0.00 0.00 27.48 28.91 1wyn h GLN 17 CO 0.06 1.38 0.11 0.87 -0.67 0.00 0.00 178.83 180.59 1wyn h LYS 18 N 0.07 0.23 -1.35 1.46 1.79 -1.96 -2.33 116.57 114.48 1wyn h LYS 18 Ca -0.28 -0.01 0.47 0.00 -2.18 0.00 0.00 60.65 58.65 1wyn h LYS 18 Cb 2.09 -0.05 -0.14 0.00 -1.58 0.00 0.00 32.23 32.55 1wyn h LYS 18 CO 0.23 0.15 0.87 -1.91 -1.08 0.00 0.00 179.45 177.71 1wyn n GLU 19 N -4.97 -0.03 0.00 3.15 2.13 -1.01 0.15 120.64 120.06 1wyn n GLU 19 Ca -0.03 1.22 -0.18 0.00 0.66 0.00 0.00 57.16 58.83 1wyn n GLU 19 Cb 0.03 -2.41 -0.10 0.00 0.27 0.00 0.00 31.44 29.23 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 1.54 0.11 -0.43 4.31 0.00 -1.60 -2.90 119.26 120.29 1wyn h ALA 20 Ca 0.86 -0.58 0.07 0.00 0.00 0.00 0.00 54.91 55.26 1wyn h ALA 20 Cb 2.78 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 20.57 1wyn h ALA 20 CO -0.45 0.42 0.29 0.93 0.00 0.00 0.00 179.25 180.44 1wyn h GLU 21 N 0.02 0.27 0.19 0.00 5.08 0.15 0.20 114.58 120.50 1wyn h GLU 21 Ca -0.08 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1wyn h GLU 21 Cb 1.36 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1wyn h GLU 21 CO 0.13 0.18 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.16 1wyn h LEU 22 N 0.28 -0.22 -1.50 1.33 3.38 -1.24 -2.03 115.31 115.31 1wyn h LEU 22 Ca 0.19 0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.33 1wyn h LEU 22 Cb 0.41 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 1wyn h LEU 22 CO -0.04 0.03 0.54 0.08 0.09 0.00 0.00 178.44 179.14 1wyn h ARG 23 N -0.63 0.46 0.00 1.13 0.11 -1.41 0.48 114.38 114.52 1wyn h ARG 23 Ca -0.03 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 60.00 1wyn h ARG 23 Cb 0.20 -0.10 -0.00 0.00 1.11 0.00 0.00 29.97 31.17 1wyn h ARG 23 CO 0.04 0.30 -0.11 1.15 0.10 0.00 0.00 179.97 181.45 1wyn h THR 24 N 0.47 0.24 0.00 0.08 2.02 -0.68 0.10 112.91 115.14 1wyn h THR 24 Ca 0.41 -0.99 -0.23 0.00 0.77 0.00 0.00 66.41 66.38 1wyn h THR 24 Cb 0.91 1.81 -0.04 0.00 -1.74 0.00 0.00 68.15 69.08 1wyn h THR 24 CO -0.15 0.11 -1.75 1.87 0.37 0.00 0.00 175.52 175.97 1wyn n TRP 25 N -3.19 0.70 -0.02 3.16 -0.00 0.12 -3.86 117.44 114.35 1wyn n TRP 25 Ca 0.02 0.24 -0.21 0.00 -0.00 0.00 0.00 57.50 57.54 1wyn n TRP 25 Cb 0.44 -1.05 -0.13 0.00 -0.00 0.00 0.00 31.31 30.58 1wyn n TRP 25 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 177.69 178.51 1wyn h ILE 26 N 0.00 0.96 -0.89 5.87 2.04 -0.29 -3.18 117.51 122.02 1wyn h ILE 26 Ca -0.26 -2.33 0.10 0.00 1.00 0.00 0.00 64.86 63.36 1wyn h ILE 26 Cb 1.79 2.58 -0.06 0.00 -0.74 0.00 0.00 36.82 40.38 1wyn h ILE 26 CO 0.05 0.64 0.58 -0.33 0.00 0.00 0.00 178.15 179.08 1wyn h GLU 27 N -0.44 0.87 -0.00 2.37 5.08 -1.00 -1.04 114.58 120.42 1wyn h GLU 27 Ca -0.32 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 57.82 1wyn h GLU 27 Cb 1.67 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.70 1wyn h GLU 27 CO -0.01 0.57 -0.78 0.78 -1.00 0.00 0.00 179.01 178.58 1wyn h GLY 28 N 0.89 0.04 0.24 -3.84 0.00 -1.71 0.30 103.07 98.99 1wyn h GLY 28 Ca 0.41 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.66 1wyn h GLY 28 CO -0.18 0.06 -0.12 1.41 0.00 0.00 0.00 176.54 177.72 1wyn h LEU 29 N 0.02 -0.27 -0.45 3.11 3.38 -1.19 -3.33 115.31 116.58 1wyn h LEU 29 Ca -0.01 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1wyn h LEU 29 Cb 1.38 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.18 1wyn h LEU 29 CO 0.11 -0.12 -0.66 0.71 0.09 0.00 0.00 178.44 178.56 1wyn h THR 30 N -0.47 1.32 0.00 0.22 1.35 -1.50 -3.48 112.91 110.36 1wyn h THR 30 Ca -0.03 -2.40 0.00 0.00 -0.55 0.00 0.00 66.41 63.43 1wyn h THR 30 Cb 0.25 2.35 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 1wyn h THR 30 CO 0.05 0.65 0.00 0.61 -0.25 0.00 0.00 175.52 176.58 1wyn n GLY 31 N 0.73 0.49 3.25 5.82 0.00 0.10 -5.06 105.19 110.53 1wyn n GLY 31 Ca -0.00 -0.81 -0.17 0.00 0.00 0.00 0.00 46.02 45.04 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 -4.19 0.99 4.77 -1.16 -4.99 117.00 112.43 1wyn n LEU 32 Ca 0.00 -2.15 -0.31 0.00 -0.03 0.00 0.00 56.01 53.52 1wyn n LEU 32 Cb 0.00 -0.30 -0.17 0.00 -2.33 0.00 0.00 43.42 40.62 1wyn n LEU 32 CO 0.00 -0.65 -0.55 -0.55 -1.33 0.00 0.00 177.39 174.31 1wyn s SER 33 N -3.95 2.95 0.06 -1.43 0.15 -1.26 -4.60 113.70 105.61 1wyn s SER 33 Ca 0.47 -0.54 -0.14 0.00 0.70 0.00 0.00 55.95 56.44 1wyn s SER 33 Cb -0.04 -1.35 -0.28 0.00 -1.71 0.00 0.00 66.02 62.64 1wyn s SER 33 CO 0.30 0.13 1.11 0.40 1.20 0.00 0.00 173.24 176.37 1wyn h ILE 34 N 5.77 1.29 0.00 6.45 2.04 -1.95 -3.49 117.51 127.62 1wyn h ILE 34 Ca -0.23 -2.49 0.00 0.00 1.00 0.00 0.00 64.86 63.14 1wyn h ILE 34 Cb 1.22 2.69 0.00 0.00 -0.74 0.00 0.00 36.82 40.00 1wyn h ILE 34 CO 0.49 0.76 0.00 0.61 0.00 0.00 0.00 178.15 180.00 1wyn n GLY 35 N 1.37 -1.76 0.23 5.37 0.00 -1.26 -3.72 105.19 105.42 1wyn n GLY 35 Ca -0.13 -2.20 -0.09 0.00 0.00 0.00 0.00 46.02 43.60 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 3.87 0.63 -4.26 1.61 0.13 -2.03 -3.40 132.00 128.55 1wyn h PRO 36 Ca 0.00 -0.33 -0.74 0.00 -0.87 0.00 0.00 66.00 64.06 1wyn h PRO 36 Cb 0.00 0.01 -0.25 0.00 0.13 0.00 0.00 31.00 30.90 1wyn h PRO 36 CO 0.00 0.93 -0.33 -0.51 -0.23 0.00 0.00 178.00 177.87 1wyn s ASP 37 N -6.86 6.02 0.01 1.44 1.11 -1.26 -4.98 116.67 112.14 1wyn s ASP 37 Ca -0.08 -1.57 -0.03 0.00 0.18 0.00 0.00 52.55 51.05 1wyn s ASP 37 Cb 0.12 -2.14 -0.01 0.00 1.07 0.00 0.00 42.92 41.96 1wyn s ASP 37 CO 0.84 -0.70 1.05 0.15 1.18 0.00 0.00 175.17 177.68 1wyn h PHE 38 N 8.70 -0.13 -1.00 4.23 3.57 -1.88 0.22 116.94 130.66 1wyn h PHE 38 Ca -0.27 0.00 0.41 0.00 3.53 0.00 0.00 57.97 61.64 1wyn h PHE 38 Cb 1.10 0.05 -0.17 0.00 2.79 0.00 0.00 35.95 39.72 1wyn h PHE 38 CO 0.66 -0.05 0.55 0.94 -2.23 0.00 0.00 178.31 178.18 1wyn n GLN 39 N -2.69 -0.06 0.00 1.11 0.00 -1.26 -1.54 117.38 112.94 1wyn n GLN 39 Ca -0.01 1.33 0.00 0.00 -0.00 0.00 0.00 57.00 58.32 1wyn n GLN 39 Cb 0.03 -2.41 0.00 0.00 0.00 0.00 0.00 30.24 27.87 1wyn n GLN 39 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1wyn n LYS 40 N -5.15 0.00 -0.23 3.69 4.76 -0.66 0.31 118.16 120.88 1wyn n LYS 40 Ca 0.37 0.47 0.18 0.00 -2.87 0.00 0.00 58.31 56.46 1wyn n LYS 40 Cb 1.27 -1.22 0.35 0.00 -1.84 0.00 0.00 35.03 33.59 1wyn n LYS 40 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wyn n GLY 41 N 0.54 -0.69 0.10 0.72 0.00 0.70 0.24 105.19 106.79 1wyn n GLY 41 Ca 0.00 0.62 -0.14 0.00 0.00 0.00 0.00 46.02 46.50 1wyn n GLY 41 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wyn h LEU 42 N 0.00 0.29 0.00 0.99 3.38 -1.34 -3.39 115.31 115.24 1wyn h LEU 42 Ca 0.54 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1wyn h LEU 42 Cb 1.35 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1wyn h LEU 42 CO -0.59 1.33 0.00 1.17 0.09 0.00 0.00 178.44 180.43 1wyn n LYS 43 N -3.40 0.00 -0.37 1.13 4.81 0.64 0.18 118.16 121.15 1wyn n LYS 43 Ca -0.13 0.59 0.30 0.00 -0.87 0.00 0.00 58.31 58.20 1wyn n LYS 43 Cb 1.03 -0.93 0.56 0.00 0.02 0.00 0.00 35.03 35.71 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 0.38 -1.02 3.14 5.19 -1.75 -3.43 116.42 118.93 1wyn h ASP 44 Ca 0.00 0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 1wyn h ASP 44 Cb 0.00 0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.65 1wyn h ASP 44 CO 0.00 -0.17 0.00 0.61 -3.12 0.00 0.00 179.24 176.56 1wyn n GLY 45 N -1.39 0.76 0.08 2.75 0.00 0.47 -4.42 105.19 103.43 1wyn n GLY 45 Ca 0.34 -0.43 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 1wyn n GLY 45 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1wyn h THR 46 N 0.00 0.23 0.26 2.61 1.35 -1.77 -3.38 112.91 112.22 1wyn h THR 46 Ca 0.00 -1.28 -0.01 0.00 -0.55 0.00 0.00 66.41 64.57 1wyn h THR 46 Cb 0.72 0.55 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1wyn h THR 46 CO 0.00 0.08 -0.13 0.40 -0.25 0.00 0.00 175.52 175.62 1wyn h ILE 47 N -1.00 0.72 -0.69 6.82 2.04 -1.91 -3.20 117.51 120.29 1wyn h ILE 47 Ca -0.07 -0.78 0.24 0.00 1.00 0.00 0.00 64.86 65.24 1wyn h ILE 47 Cb 0.64 1.10 -0.13 0.00 -0.74 0.00 0.00 36.82 37.69 1wyn h ILE 47 CO -0.04 0.15 0.18 0.18 0.00 0.00 0.00 178.15 178.61 1wyn n LEU 48 N -5.06 0.07 0.29 1.44 4.77 -1.26 0.89 117.00 118.13 1wyn n LEU 48 Ca -0.09 1.17 -0.15 0.00 -0.03 0.00 0.00 56.01 56.91 1wyn n LEU 48 Cb 0.26 -0.49 -0.08 0.00 -2.33 0.00 0.00 43.42 40.78 1wyn n LEU 48 CO 0.28 -1.24 0.54 0.00 -1.33 0.00 0.00 177.39 175.64 1wyn h THR 50 N -0.94 0.98 -0.25 0.00 1.35 0.49 -2.37 112.91 112.17 1wyn h THR 50 Ca -0.07 -0.32 0.06 0.00 -0.55 0.00 0.00 66.41 65.53 1wyn h THR 50 Cb 0.63 -0.03 -0.07 0.00 -1.73 0.00 0.00 68.15 66.94 1wyn h THR 50 CO 0.12 0.17 -0.29 0.25 -0.25 0.00 0.00 175.52 175.52 1wyn h LEU 51 N 0.93 -0.93 0.39 3.87 5.85 -0.50 -2.23 115.31 122.69 1wyn h LEU 51 Ca 0.42 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 59.28 1wyn h LEU 51 Cb 0.38 0.43 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1wyn h LEU 51 CO -0.18 -0.32 -0.19 -0.03 -0.34 0.00 0.00 178.44 177.38 1wyn h MET 52 N -0.30 -0.51 -1.74 1.25 4.05 -1.32 -2.20 114.93 114.16 1wyn h MET 52 Ca 0.14 0.03 0.51 0.00 -0.28 0.00 0.00 59.70 60.10 1wyn h MET 52 Cb 0.51 0.12 -0.08 0.00 -0.80 0.00 0.00 31.60 31.35 1wyn h MET 52 CO -0.42 -0.33 1.24 -0.91 0.23 0.00 0.00 176.91 176.72 1wyn h ASN 53 N -0.54 0.02 0.12 1.39 2.35 -1.05 1.19 115.58 119.07 1wyn h ASN 53 Ca -0.05 0.01 -0.25 0.00 -0.55 0.00 0.00 56.30 55.46 1wyn h ASN 53 Cb 0.41 0.01 0.03 0.00 0.05 0.00 0.00 38.32 38.82 1wyn h ASN 53 CO 0.09 -0.02 -1.05 0.11 -1.65 0.00 0.00 177.43 174.92 1wyn h LYS 54 N 0.01 0.49 0.22 0.81 1.79 -0.82 -3.38 116.57 115.70 1wyn h LYS 54 Ca 0.84 -0.69 -0.01 0.00 -2.18 0.00 0.00 60.65 58.61 1wyn h LYS 54 Cb 3.32 0.24 0.00 0.00 -1.58 0.00 0.00 32.23 34.21 1wyn h LYS 54 CO -0.05 1.30 -0.11 -0.07 -1.08 0.00 0.00 179.45 179.45 1wyn h LEU 55 N 0.02 -0.25 -8.90 2.94 3.38 0.15 -3.43 115.31 109.22 1wyn h LEU 55 Ca -0.17 -0.25 -0.63 0.00 0.09 0.00 0.00 57.88 56.92 1wyn h LEU 55 Cb 1.77 0.07 -0.18 0.00 0.09 0.00 0.00 40.66 42.40 1wyn h LEU 55 CO 0.20 0.26 -0.56 -1.58 0.09 0.00 0.00 178.44 176.85 1wyn s GLN 56 N -3.40 3.88 -1.10 1.13 0.74 0.12 -5.02 119.66 116.01 1wyn s GLN 56 Ca -0.11 -0.37 -0.23 0.00 0.05 0.00 0.00 55.36 54.70 1wyn s GLN 56 Cb 0.01 -3.41 -0.08 0.00 1.10 0.00 0.00 33.01 30.63 1wyn s GLN 56 CO 0.41 -0.02 1.94 -1.25 -0.55 0.00 0.00 175.29 175.82 1wyn s PRO 57 N 1.22 2.51 0.00 1.67 0.04 -1.26 -3.13 135.00 136.05 1wyn s PRO 57 Ca 0.06 -0.91 0.00 0.00 0.04 0.00 0.00 61.00 60.19 1wyn s PRO 57 Cb -0.14 -5.19 0.00 0.00 0.04 0.00 0.00 34.50 29.21 1wyn s PRO 57 CO 0.05 -3.81 0.00 0.41 0.04 0.00 0.00 177.00 173.69 1wyn n GLY 58 N 6.12 0.74 0.08 0.56 0.00 -1.26 -5.08 105.19 106.35 1wyn n GLY 58 Ca 0.43 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 46.35 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 1.87 -4.68 1.61 3.41 -1.18 -4.92 113.62 109.72 1wyn n SER 59 Ca 0.00 0.50 -0.36 0.00 -0.26 0.00 0.00 58.87 58.75 1wyn n SER 59 Cb 0.00 -0.83 -0.09 0.00 -0.26 0.00 0.00 64.21 63.03 1wyn n SER 59 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1wyn s VAL 60 N -2.50 5.38 0.03 -3.33 1.01 -1.26 -4.84 120.40 114.88 1wyn s VAL 60 Ca -0.22 0.18 -0.22 0.00 0.00 0.00 0.00 61.98 61.73 1wyn s VAL 60 Cb 0.04 -3.49 -0.16 0.00 0.00 0.00 0.00 36.38 32.77 1wyn s VAL 60 CO 0.33 0.38 1.33 1.55 0.00 0.00 0.00 175.10 178.69 1wyn h PRO 61 N 7.22 0.27 -3.19 2.72 0.13 -1.97 -3.48 132.00 133.70 1wyn h PRO 61 Ca -0.39 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1wyn h PRO 61 Cb 1.16 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.21 1wyn h PRO 61 CO 0.69 0.68 0.11 0.21 -0.23 0.00 0.00 178.00 179.46 1wyn s LYS 62 N -4.30 1.49 -0.04 0.86 2.20 -1.26 -5.17 119.74 113.51 1wyn s LYS 62 Ca -0.15 -0.86 0.06 0.00 -0.36 0.00 0.00 55.97 54.66 1wyn s LYS 62 Cb 0.04 0.55 -0.01 0.00 -1.51 0.00 0.00 37.83 36.91 1wyn s LYS 62 CO 0.73 -0.65 -0.22 0.42 -0.36 0.00 0.00 175.35 175.28 1wyn s ILE 63 N -3.88 1.78 -0.79 5.43 1.01 -1.26 -4.97 121.20 118.52 1wyn s ILE 63 Ca 0.09 -0.92 -0.19 0.00 0.00 0.00 0.00 60.65 59.63 1wyn s ILE 63 Cb -0.02 -1.50 0.12 0.00 0.01 0.00 0.00 42.46 41.07 1wyn s ILE 63 CO -0.01 0.50 0.96 0.20 0.00 0.00 0.00 174.94 176.59 1wyn s ASN 64 N -0.18 6.46 -0.17 3.58 0.01 -1.26 -4.90 114.94 118.48 1wyn s ASN 64 Ca -0.01 -1.79 -0.01 0.00 -0.71 0.00 0.00 52.86 50.34 1wyn s ASN 64 Cb -0.12 -2.36 0.06 0.00 0.41 0.00 0.00 41.25 39.24 1wyn s ASN 64 CO 0.02 -1.09 2.27 0.54 -1.51 0.00 0.00 177.10 177.34 1wyn n ARG 65 N 6.40 1.57 -4.09 -0.60 1.74 -1.26 -4.60 116.66 115.83 1wyn n ARG 65 Ca 0.10 -0.97 -0.31 0.00 -0.77 0.00 0.00 57.85 55.90 1wyn n ARG 65 Cb 0.47 -1.47 -0.07 0.00 -1.02 0.00 0.00 32.46 30.36 1wyn n ARG 65 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wyn s SER 66 N 1.11 5.35 -0.11 0.55 0.15 -1.26 -5.00 113.70 114.50 1wyn s SER 66 Ca 0.26 -0.05 -0.00 0.00 0.70 0.00 0.00 55.95 56.86 1wyn s SER 66 Cb 0.17 -1.39 0.08 0.00 -1.71 0.00 0.00 66.02 63.17 1wyn s SER 66 CO -0.02 0.19 1.89 0.80 1.20 0.00 0.00 173.24 177.29 1wyn n MET 67 N 0.61 1.28 -3.86 5.44 1.56 -1.26 -4.55 117.12 116.34 1wyn n MET 67 Ca -0.10 -0.57 -0.22 0.00 -0.27 0.00 0.00 57.70 56.55 1wyn n MET 67 Cb 0.52 -1.22 -0.05 0.00 2.15 0.00 0.00 33.22 34.62 1wyn n MET 67 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1wyn s GLN 68 N -0.65 2.54 0.00 2.12 -1.52 -1.26 -5.06 119.66 115.82 1wyn s GLN 68 Ca 0.11 -1.47 0.00 0.00 -1.95 0.00 0.00 55.36 52.05 1wyn s GLN 68 Cb 0.09 -2.33 0.00 0.00 -0.22 0.00 0.00 33.01 30.55 1wyn s GLN 68 CO 0.00 0.01 0.20 0.09 -0.25 0.00 0.00 175.29 175.35 1wyn n ASN 69 N -1.34 0.00 -0.34 5.90 4.13 -1.26 -2.57 115.26 119.78 1wyn n ASN 69 Ca -0.01 0.52 0.06 0.00 1.68 0.00 0.00 54.58 56.83 1wyn n ASN 69 Cb 0.61 -0.40 0.14 0.00 -1.54 0.00 0.00 39.78 38.59 1wyn n ASN 69 CO 0.00 0.00 0.00 4.11 0.28 0.00 0.00 177.26 181.65 1wyn h TRP 70 N 0.00 -0.45 0.08 3.10 0.09 -1.99 0.18 115.95 116.97 1wyn h TRP 70 Ca 0.00 0.08 0.02 0.00 0.09 0.00 0.00 58.89 59.09 1wyn h TRP 70 Cb 0.00 0.35 -0.04 0.00 0.08 0.00 0.00 29.16 29.54 1wyn h TRP 70 CO 0.04 -0.41 -0.30 0.45 0.09 0.00 0.00 178.44 178.32 1wyn h HIS 71 N 0.00 -0.81 -0.96 0.12 3.86 -1.92 0.12 115.15 115.55 1wyn h HIS 71 Ca 0.47 0.02 0.11 0.00 -1.16 0.00 0.00 60.37 59.81 1wyn h HIS 71 Cb 0.74 0.35 -0.08 0.00 1.06 0.00 0.00 27.41 29.48 1wyn h HIS 71 CO -0.70 -0.40 0.60 1.96 0.86 0.00 0.00 177.93 180.24 1wyn h GLN 72 N -0.50 0.93 0.52 2.45 4.20 -0.46 -2.62 115.11 119.64 1wyn h GLN 72 Ca 0.04 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 1wyn h GLN 72 Cb 0.54 -0.21 0.01 0.00 0.30 0.00 0.00 27.48 28.12 1wyn h GLN 72 CO -0.20 0.62 -0.25 -0.07 -0.67 0.00 0.00 178.83 178.26 1wyn h LEU 73 N 0.96 -0.59 -1.05 1.46 -0.00 -0.21 -2.96 115.31 112.91 1wyn h LEU 73 Ca 0.47 -0.05 0.39 0.00 -0.00 0.00 0.00 57.88 58.69 1wyn h LEU 73 Cb 0.43 0.15 -0.16 0.00 -0.00 0.00 0.00 40.66 41.08 1wyn h LEU 73 CO -0.26 -0.29 0.59 -0.08 -0.00 0.00 0.00 178.44 178.41 1wyn h GLU 74 N -0.91 0.11 -0.05 1.13 4.81 -0.43 0.27 114.58 119.52 1wyn h GLU 74 Ca -0.07 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1wyn h GLU 74 Cb 0.61 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.91 1wyn h GLU 74 CO 0.12 0.07 -0.30 -0.91 -0.73 0.00 0.00 179.01 177.26 1wyn h ASN 75 N 0.11 -0.90 -0.18 1.04 2.35 -1.32 0.18 115.58 116.86 1wyn h ASN 75 Ca 0.81 0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 56.67 1wyn h ASN 75 Cb 2.12 0.37 -0.01 0.00 0.05 0.00 0.00 38.32 40.85 1wyn h ASN 75 CO -0.67 -0.36 0.06 -0.07 -1.65 0.00 0.00 177.43 174.74 1wyn h LEU 76 N -0.42 0.26 -1.13 1.61 3.38 -0.56 -2.18 115.31 116.27 1wyn h LEU 76 Ca 0.07 -0.19 0.20 0.00 0.09 0.00 0.00 57.88 58.05 1wyn h LEU 76 Cb 0.53 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.11 1wyn h LEU 76 CO -0.28 0.39 0.62 0.28 0.09 0.00 0.00 178.44 179.53 1wyn h SER 77 N 0.13 0.69 0.12 -0.43 0.02 -0.92 0.18 113.55 113.34 1wyn h SER 77 Ca 0.06 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1wyn h SER 77 Cb 0.22 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1wyn h SER 77 CO -0.00 0.25 -0.06 0.78 -1.14 0.00 0.00 176.83 176.65 1wyn h ASN 78 N 0.67 -0.14 0.09 3.07 2.35 -0.70 -2.98 115.58 117.95 1wyn h ASN 78 Ca 0.56 -0.36 0.02 0.00 -0.55 0.00 0.00 56.30 55.97 1wyn h ASN 78 Cb 0.99 0.04 -0.03 0.00 0.05 0.00 0.00 38.32 39.37 1wyn h ASN 78 CO -0.33 0.32 -0.19 0.15 -1.65 0.00 0.00 177.43 175.72 1wyn h PHE 79 N -0.64 -0.51 -0.54 1.19 3.57 -0.69 -1.70 116.94 117.62 1wyn h PHE 79 Ca -0.02 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.57 1wyn h PHE 79 Cb 0.49 0.21 -0.10 0.00 2.79 0.00 0.00 35.95 39.35 1wyn h PHE 79 CO 0.07 -0.28 -0.49 0.82 -2.23 0.00 0.00 178.31 176.19 1wyn h ILE 80 N -0.36 0.05 -1.00 1.41 2.04 -0.76 0.18 117.51 119.06 1wyn h ILE 80 Ca 0.03 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.00 1wyn h ILE 80 Cb 0.39 0.05 -0.08 0.00 -0.74 0.00 0.00 36.82 36.44 1wyn h ILE 80 CO -0.12 0.00 0.63 0.11 0.00 0.00 0.00 178.15 178.77 1wyn h LYS 81 N -0.28 0.98 -0.97 2.37 1.57 -1.35 -0.96 116.57 117.94 1wyn h LYS 81 Ca 0.14 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 58.91 1wyn h LYS 81 Cb 0.57 -0.22 -0.06 0.00 0.08 0.00 0.00 32.23 32.60 1wyn h LYS 81 CO -0.67 0.65 0.63 0.00 -0.57 0.00 0.00 179.45 179.49 1wyn h ALA 82 N 1.53 1.31 -0.21 3.86 0.00 0.24 -2.46 119.26 123.53 1wyn h ALA 82 Ca 0.49 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.38 1wyn h ALA 82 Cb 0.45 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1wyn h ALA 82 CO -0.26 0.47 0.09 0.52 0.00 0.00 0.00 179.25 180.08 1wyn h MET 83 N 1.18 0.20 -0.89 0.00 2.86 0.25 -1.60 114.93 116.93 1wyn h MET 83 Ca 0.40 -0.01 0.18 0.00 -2.06 0.00 0.00 59.70 58.21 1wyn h MET 83 Cb 0.08 -0.05 -0.11 0.00 0.06 0.00 0.00 31.60 31.58 1wyn h MET 83 CO -0.15 0.13 0.45 0.28 1.06 0.00 0.00 176.91 178.69 1wyn h VAL 84 N 0.21 0.63 -0.31 -2.22 2.07 -1.25 -0.62 116.25 114.76 1wyn h VAL 84 Ca 0.08 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.31 1wyn h VAL 84 Cb 0.03 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.81 1wyn h VAL 84 CO -0.07 0.10 -0.19 0.28 0.02 0.00 0.00 177.57 177.72 1wyn h SER 85 N 0.57 0.70 -0.79 0.57 0.02 -1.30 -3.15 113.55 110.17 1wyn h SER 85 Ca 0.52 -0.43 0.19 0.00 -0.84 0.00 0.00 61.79 61.23 1wyn h SER 85 Cb 0.86 -0.20 -0.13 0.00 0.14 0.00 0.00 62.40 63.07 1wyn h SER 85 CO -0.43 0.98 0.16 0.22 -1.14 0.00 0.00 176.83 176.62 1wyn h TYR 86 N 0.43 0.23 0.00 3.45 3.20 -0.15 -3.44 116.97 120.69 1wyn h TYR 86 Ca 0.06 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1wyn h TYR 86 Cb 0.74 0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.03 1wyn h TYR 86 CO 0.06 -0.16 0.00 0.41 -1.64 0.00 0.00 178.16 176.83 1wyn n GLY 87 N -1.38 0.53 3.93 1.82 0.00 -1.02 -5.12 105.19 103.95 1wyn n GLY 87 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 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 3.51 0.61 1.61 -1.94 -1.19 -5.07 119.30 116.84 1wyn s MET 88 Ca 0.00 -0.22 -0.12 0.00 -1.71 0.00 0.00 55.69 53.65 1wyn s MET 88 Cb 0.00 -2.63 -0.04 0.00 2.01 0.00 0.00 34.83 34.17 1wyn s MET 88 CO 0.00 0.12 1.03 -0.80 -0.01 0.00 0.00 175.02 175.36 1wyn s ASN 89 N -3.89 6.24 0.00 3.03 0.01 -1.26 -4.77 114.94 114.29 1wyn s ASN 89 Ca 0.41 1.45 0.15 0.00 -0.71 0.00 0.00 52.86 54.16 1wyn s ASN 89 Cb -0.10 -2.48 0.74 0.00 0.41 0.00 0.00 41.25 39.83 1wyn s ASN 89 CO 0.36 -0.86 1.41 -0.81 -1.51 0.00 0.00 177.10 175.69 1wyn n PRO 90 N -2.63 0.20 0.00 -0.60 -0.04 -1.26 -1.91 135.00 128.77 1wyn n PRO 90 Ca 0.06 0.15 0.06 0.00 -0.04 0.00 0.00 63.50 63.73 1wyn n PRO 90 Cb 0.54 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.29 0.00 -0.91 0.52 0.24 -1.26 -4.39 118.33 111.23 1wyn n VAL 91 Ca 0.07 -0.35 0.08 0.00 -2.04 0.00 0.00 64.34 62.09 1wyn n VAL 91 Cb 0.12 1.14 0.36 0.00 -1.47 0.00 0.00 33.84 33.98 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 -0.30 5.09 -4.84 -1.34 8.00 -0.80 -4.97 116.55 117.39 1wyn n ASP 92 Ca 0.05 -2.92 -0.26 0.00 0.71 0.00 0.00 54.79 52.37 1wyn n ASP 92 Cb 0.26 -0.63 -0.03 0.00 -0.02 0.00 0.00 41.12 40.70 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 -2.71 2.81 -0.01 0.64 1.43 -1.25 -4.08 118.68 115.51 1wyn s LEU 93 Ca 0.50 -1.21 -0.10 0.00 -1.03 0.00 0.00 54.13 52.29 1wyn s LEU 93 Cb 0.39 -1.27 0.01 0.00 0.03 0.00 0.00 46.19 45.35 1wyn s LEU 93 CO 0.14 -0.90 0.20 0.72 0.23 0.00 0.00 176.35 176.74 1wyn s PHE 94 N -2.72 -0.04 0.67 0.29 -0.71 -1.26 -4.80 117.98 109.41 1wyn s PHE 94 Ca 0.33 0.03 -0.11 0.00 -1.04 0.00 0.00 56.93 56.14 1wyn s PHE 94 Cb -0.00 0.01 0.17 0.00 -1.21 0.00 0.00 43.02 41.98 1wyn s PHE 94 CO 0.20 -0.32 0.53 0.39 -1.34 0.00 0.00 175.22 174.69 1wyn n GLU 95 N 1.45 -2.47 -0.01 1.99 1.02 -1.26 -4.89 120.64 116.47 1wyn n GLU 95 Ca -0.22 -0.86 0.11 0.00 -0.02 0.00 0.00 57.16 56.17 1wyn n GLU 95 Cb 0.56 -0.88 -0.17 0.00 -0.02 0.00 0.00 31.44 30.93 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 -4.09 2.89 0.03 0.62 0.00 -1.26 -4.40 120.51 114.30 1wyn n ALA 96 Ca -0.10 -0.52 -0.17 0.00 0.00 0.00 0.00 53.44 52.64 1wyn n ALA 96 Cb 0.30 -0.75 -0.14 0.00 0.00 0.00 0.00 19.45 18.86 1wyn n ALA 96 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1wyn h ASN 97 N 0.00 0.35 -0.91 0.00 -1.07 -1.97 -3.13 115.58 108.85 1wyn h ASN 97 Ca 0.00 -0.63 0.23 0.00 0.07 0.00 0.00 56.30 55.97 1wyn h ASN 97 Cb 0.98 -0.11 -0.17 0.00 -2.07 0.00 0.00 38.32 36.95 1wyn h ASN 97 CO 0.00 1.54 -0.01 -2.24 0.07 0.00 0.00 177.43 176.80 1wyn h ASP 98 N 0.06 -0.48 0.07 6.14 3.04 -1.84 0.49 116.42 123.89 1wyn h ASP 98 Ca -0.33 0.25 -0.13 0.00 -3.24 0.00 0.00 57.03 53.59 1wyn h ASP 98 Cb 2.03 0.45 0.00 0.00 -1.04 0.00 0.00 39.33 40.78 1wyn h ASP 98 CO 0.12 -0.29 -0.61 0.25 -2.04 0.00 0.00 179.24 176.68 1wyn h LEU 99 N 0.05 0.22 0.07 0.15 5.85 -1.72 1.45 115.31 121.37 1wyn h LEU 99 Ca 0.52 -0.91 0.01 0.00 0.84 0.00 0.00 57.88 58.34 1wyn h LEU 99 Cb 1.00 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 1wyn h LEU 99 CO -0.84 1.27 -0.42 0.15 -0.34 0.00 0.00 178.44 178.26 1wyn h PHE 100 N -0.69 -1.22 -0.98 1.25 3.57 -1.18 -2.49 116.94 115.21 1wyn h PHE 100 Ca -0.13 0.03 -0.63 0.00 3.53 0.00 0.00 57.97 60.77 1wyn h PHE 100 Cb 1.36 0.52 -0.30 0.00 2.79 0.00 0.00 35.95 40.33 1wyn h PHE 100 CO 0.21 -0.47 0.74 0.39 -2.23 0.00 0.00 178.31 176.96 1wyn n GLU 101 N -4.82 2.63 -1.98 1.11 1.02 0.16 -4.87 120.64 113.89 1wyn n GLU 101 Ca -0.06 -3.27 0.00 0.00 -0.02 0.00 0.00 57.16 53.80 1wyn n GLU 101 Cb 0.32 -2.26 0.00 0.00 -0.02 0.00 0.00 31.44 29.48 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 -0.96 -0.68 0.20 1.62 3.41 -0.82 -4.67 113.62 111.72 1wyn n SER 102 Ca 0.61 0.34 0.13 0.00 -0.26 0.00 0.00 58.87 59.70 1wyn n SER 102 Cb 0.88 -0.81 0.71 0.00 -0.26 0.00 0.00 64.21 64.73 1wyn n SER 102 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1wyn h GLY 103 N 0.00 0.00 -5.92 5.00 0.00 0.19 -3.41 103.07 98.93 1wyn h GLY 103 Ca 0.00 0.00 0.25 0.00 0.00 0.00 0.00 47.33 47.58 1wyn h GLY 103 CO 0.00 0.00 0.26 0.21 0.00 0.00 0.00 176.54 177.01 1wyn s ASN 104 N -4.27 -0.31 -0.02 0.19 3.04 0.10 -4.82 114.94 108.86 1wyn s ASN 104 Ca -0.03 0.26 0.20 0.00 0.04 0.00 0.00 52.86 53.34 1wyn s ASN 104 Cb 0.08 1.29 -0.29 0.00 -1.54 0.00 0.00 41.25 40.78 1wyn s ASN 104 CO 0.25 -0.06 0.57 0.23 -3.04 0.00 0.00 177.10 175.05 1wyn n MET 105 N 5.23 0.56 0.06 0.43 2.81 -1.26 -4.00 117.12 120.95 1wyn n MET 105 Ca -0.08 -0.13 -0.21 0.00 -1.81 0.00 0.00 57.70 55.47 1wyn n MET 105 Cb 0.54 -1.47 -0.13 0.00 -0.71 0.00 0.00 33.22 31.45 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 1.37 -0.24 2.03 1.35 -1.96 -2.75 112.91 112.71 1wyn h THR 106 Ca 0.00 -2.41 -0.09 0.00 -0.55 0.00 0.00 66.41 63.36 1wyn h THR 106 Cb 0.79 2.83 -0.01 0.00 -1.73 0.00 0.00 68.15 70.03 1wyn h THR 106 CO 0.00 0.71 -0.25 -0.61 -0.25 0.00 0.00 175.52 175.13 1wyn h GLN 107 N 0.02 0.44 0.00 4.72 5.75 -1.93 -2.27 115.11 121.84 1wyn h GLN 107 Ca -0.16 -0.16 -0.04 0.00 -0.15 0.00 0.00 58.65 58.14 1wyn h GLN 107 Cb 1.73 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 30.24 1wyn h GLN 107 CO 0.19 0.66 -0.20 0.28 -2.65 0.00 0.00 178.83 177.11 1wyn h VAL 108 N 0.39 0.40 0.02 2.39 2.07 -1.71 -3.08 116.25 116.73 1wyn h VAL 108 Ca 0.06 -1.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.29 1wyn h VAL 108 Cb 0.64 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1wyn h VAL 108 CO 0.05 0.20 -0.01 -0.61 0.02 0.00 0.00 177.57 177.21 1wyn h GLN 109 N 0.00 -0.03 -0.26 1.57 5.75 -1.14 -3.23 115.11 117.78 1wyn h GLN 109 Ca -0.00 0.00 0.07 0.00 -0.15 0.00 0.00 58.65 58.57 1wyn h GLN 109 Cb 0.95 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.50 1wyn h GLN 109 CO 0.03 0.70 0.19 -0.39 -2.65 0.00 0.00 178.83 176.70 1wyn h VAL 110 N -0.90 0.83 -0.21 2.39 -1.51 -1.50 -1.13 116.25 114.21 1wyn h VAL 110 Ca -0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.45 1wyn h VAL 110 Cb 0.74 0.87 -0.01 0.00 -2.13 0.00 0.00 31.29 30.76 1wyn h VAL 110 CO 0.01 0.00 0.06 -1.28 -1.23 0.00 0.00 177.57 175.13 1wyn h SER 111 N 0.00 0.31 -0.32 4.19 0.87 -1.60 -0.49 113.55 116.51 1wyn h SER 111 Ca 0.12 -0.21 -0.15 0.00 -1.23 0.00 0.00 61.79 60.33 1wyn h SER 111 Cb 0.50 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1wyn h SER 111 CO -0.00 0.44 -0.37 -0.07 -0.53 0.00 0.00 176.83 176.30 1wyn h LEU 112 N 0.17 0.89 -1.64 2.23 3.38 -1.36 0.15 115.31 119.12 1wyn h LEU 112 Ca 0.07 -0.48 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 1wyn h LEU 112 Cb 0.24 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1wyn h LEU 112 CO -0.00 1.19 -0.18 -0.07 0.09 0.00 0.00 178.44 179.47 1wyn h LEU 113 N 0.60 0.00 0.15 1.67 3.38 -1.17 -0.65 115.31 119.29 1wyn h LEU 113 Ca 0.05 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.67 1wyn h LEU 113 Cb 0.96 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1wyn h LEU 113 CO 0.09 0.18 -1.77 0.00 0.09 0.00 0.00 178.44 177.03 1wyn h ALA 114 N 1.82 0.29 -0.29 1.53 0.00 -0.94 -3.28 119.26 118.39 1wyn h ALA 114 Ca -0.00 -1.22 -0.07 0.00 0.00 0.00 0.00 54.91 53.62 1wyn h ALA 114 Cb 0.32 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1wyn h ALA 114 CO 0.02 1.16 -0.11 1.25 0.00 0.00 0.00 179.25 181.57 1wyn h LEU 115 N 0.08 0.47 -0.10 0.00 5.85 -0.48 -3.02 115.31 118.11 1wyn h LEU 115 Ca -0.34 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.25 1wyn h LEU 115 Cb 2.06 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.96 1wyn h LEU 115 CO 0.15 0.62 0.01 0.00 -0.34 0.00 0.00 178.44 178.88 1wyn h ALA 116 N 1.43 0.13 -0.87 1.25 0.00 -1.26 -0.80 119.26 119.15 1wyn h ALA 116 Ca 0.09 -0.16 0.20 0.00 0.00 0.00 0.00 54.91 55.04 1wyn h ALA 116 Cb 0.47 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.07 1wyn h ALA 116 CO 0.03 -0.21 -0.06 0.78 0.00 0.00 0.00 179.25 179.79 1wyn h GLY 117 N -0.08 0.90 0.82 0.00 0.00 -1.58 0.38 103.07 103.51 1wyn h GLY 117 Ca 0.03 0.18 -0.18 0.00 0.00 0.00 0.00 47.33 47.36 1wyn h GLY 117 CO 0.00 -0.37 -0.74 1.70 0.00 0.00 0.00 176.54 177.13 1wyn h LYS 118 N 0.05 0.42 -0.13 4.80 3.64 -1.59 -3.21 116.57 120.54 1wyn h LYS 118 Ca 0.47 -0.51 0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1wyn h LYS 118 Cb 0.85 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1wyn h LYS 118 CO -0.82 1.18 0.19 0.00 -2.27 0.00 0.00 179.45 177.72 1wyn h ALA 119 N 0.26 1.61 -0.95 5.00 0.00 0.42 -1.58 119.26 124.02 1wyn h ALA 119 Ca -0.11 -0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.02 1wyn h ALA 119 Cb 1.47 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.20 1wyn h ALA 119 CO 0.14 -0.25 0.62 0.87 0.00 0.00 0.00 179.25 180.63 1wyn h LYS 120 N 0.00 0.42 -1.63 0.00 1.79 -0.33 -0.21 116.57 116.62 1wyn h LYS 120 Ca 0.06 -0.03 0.48 0.00 -2.18 0.00 0.00 60.65 58.98 1wyn h LYS 120 Cb 0.43 -0.10 -0.08 0.00 -1.58 0.00 0.00 32.23 30.91 1wyn h LYS 120 CO -0.00 0.28 1.15 0.00 -1.08 0.00 0.00 179.45 179.80 1wyn h THR 121 N 0.43 0.15 0.03 -0.16 1.03 -1.49 0.36 112.91 113.27 1wyn h THR 121 Ca 0.51 -0.01 -0.00 0.00 -0.01 0.00 0.00 66.41 66.90 1wyn h THR 121 Cb 1.23 0.13 0.00 0.00 -1.07 0.00 0.00 68.15 68.44 1wyn h THR 121 CO -0.22 0.00 -0.02 0.11 -0.01 0.00 0.00 175.52 175.39 1wyn h LYS 122 N 0.02 -0.04 -2.03 0.00 6.56 -1.26 -3.36 116.57 116.45 1wyn h LYS 122 Ca 0.81 0.00 -0.59 0.00 -1.06 0.00 0.00 60.65 59.81 1wyn h LYS 122 Cb 3.11 0.01 -0.20 0.00 -0.57 0.00 0.00 32.23 34.58 1wyn h LYS 122 CO -0.08 0.00 0.67 0.41 -2.06 0.00 0.00 179.45 178.39 1wyn n GLY 123 N 1.66 4.73 3.21 3.86 0.00 -0.17 -4.99 105.19 113.48 1wyn n GLY 123 Ca -0.01 -2.07 -0.28 0.00 0.00 0.00 0.00 46.02 43.67 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 0.52 -0.75 -4.44 0.99 4.77 -0.06 -4.75 117.00 113.27 1wyn n LEU 124 Ca 0.51 -0.68 -0.37 0.00 -0.03 0.00 0.00 56.01 55.44 1wyn n LEU 124 Cb 0.45 -0.99 0.06 0.00 -2.33 0.00 0.00 43.42 40.60 1wyn n LEU 124 CO 0.40 -4.18 -0.02 0.00 -1.33 0.00 0.00 177.39 172.26 1wyn n GLN 125 N -4.88 0.32 -3.55 3.23 3.00 -1.26 -2.86 117.38 111.38 1wyn n GLN 125 Ca 0.10 0.14 -0.21 0.00 -0.01 0.00 0.00 57.00 57.03 1wyn n GLN 125 Cb 0.55 -1.73 0.08 0.00 0.00 0.00 0.00 30.24 29.13 1wyn n GLN 125 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1wyn n SER 126 N 0.13 -3.95 -2.69 1.08 7.64 -1.26 -4.92 113.62 109.64 1wyn n SER 126 Ca 0.10 -0.61 -0.06 0.00 1.01 0.00 0.00 58.87 59.31 1wyn n SER 126 Cb 0.49 -4.95 0.08 0.00 -1.01 0.00 0.00 64.21 58.83 1wyn n SER 126 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wyn n GLY 127 N -1.56 -0.03 2.74 0.23 0.00 -1.13 -5.13 105.19 100.31 1wyn n GLY 127 Ca -0.15 0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 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 0.15 0.17 0.45 1.61 1.01 -1.26 -4.65 120.40 117.89 1wyn s VAL 128 Ca 0.18 0.24 -0.18 0.00 0.00 0.00 0.00 61.98 62.22 1wyn s VAL 128 Cb 0.28 -0.36 -0.15 0.00 0.00 0.00 0.00 36.38 36.15 1wyn s VAL 128 CO -0.09 0.22 -0.06 -0.90 0.00 0.00 0.00 175.10 174.26 1wyn n ASP 129 N 5.12 -3.29 -0.14 3.32 5.75 -1.26 -4.94 116.55 121.11 1wyn n ASP 129 Ca -0.07 0.67 -0.29 0.00 -0.01 0.00 0.00 54.79 55.09 1wyn n ASP 129 Cb 0.50 -0.82 -0.10 0.00 -1.03 0.00 0.00 41.12 39.67 1wyn n ASP 129 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1wyn n ILE 130 N -1.31 1.53 -0.61 2.12 2.08 -1.26 -5.12 119.36 116.79 1wyn n ILE 130 Ca 0.08 -0.38 0.00 0.00 0.56 0.00 0.00 62.75 63.01 1wyn n ILE 130 Cb 0.43 -1.86 0.00 0.00 -0.75 0.00 0.00 39.64 37.47 1wyn n ILE 130 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1wyn n GLY 131 N 1.34 -3.78 2.48 7.39 0.00 -1.26 -4.95 105.19 106.41 1wyn n GLY 131 Ca -0.53 -0.74 -0.28 0.00 0.00 0.00 0.00 46.02 44.47 1wyn n GLY 131 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wyn n VAL 132 N 0.13 2.54 -1.68 1.61 0.24 -1.26 -5.05 118.33 114.87 1wyn n VAL 132 Ca 0.00 -4.77 -0.46 0.00 -2.04 0.00 0.00 64.34 57.06 1wyn n VAL 132 Cb 0.00 -1.25 -0.04 0.00 -1.47 0.00 0.00 33.84 31.08 1wyn n VAL 132 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1wyn n LYS 133 N -0.51 2.40 -2.36 7.34 0.00 -1.26 -4.92 118.16 118.85 1wyn n LYS 133 Ca 0.41 0.88 -0.41 0.00 0.00 0.00 0.00 58.31 59.19 1wyn n LYS 133 Cb 0.64 -2.75 -0.03 0.00 0.00 0.00 0.00 35.03 32.88 1wyn n LYS 133 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 1wyn s TYR 134 N 3.99 3.41 0.14 5.64 5.04 -1.26 -5.04 117.35 129.27 1wyn s TYR 134 Ca 0.91 1.44 0.04 0.00 -2.44 0.00 0.00 57.07 57.02 1wyn s TYR 134 Cb -0.61 -3.44 -0.04 0.00 0.35 0.00 0.00 41.96 38.21 1wyn s TYR 134 CO 0.48 -1.22 -0.09 0.45 -1.34 0.00 0.00 175.55 173.84 1wyn s SER 135 N -0.04 1.67 -0.34 4.32 0.15 -1.26 -5.13 113.70 113.07 1wyn s SER 135 Ca 0.52 -1.03 -0.13 0.00 0.70 0.00 0.00 55.95 56.01 1wyn s SER 135 Cb -0.33 0.01 -0.02 0.00 -1.71 0.00 0.00 66.02 63.97 1wyn s SER 135 CO 0.39 -0.37 0.24 -1.61 1.20 0.00 0.00 173.24 173.09 1wyn s GLU 136 N -3.77 3.47 0.36 5.44 2.02 -1.26 -5.07 118.70 119.88 1wyn s GLU 136 Ca 0.17 -0.66 -0.26 0.00 0.02 0.00 0.00 54.97 54.24 1wyn s GLU 136 Cb 0.03 -3.81 -0.09 0.00 0.10 0.00 0.00 34.13 30.36 1wyn s GLU 136 CO 0.00 -0.46 1.09 0.21 0.02 0.00 0.00 175.26 176.13 1wyn s LYS 137 N 1.72 4.32 -0.30 1.61 2.36 -1.26 -5.03 119.74 123.15 1wyn s LYS 137 Ca 0.06 1.68 -0.12 0.00 -2.55 0.00 0.00 55.97 55.05 1wyn s LYS 137 Cb -0.17 -2.81 0.18 0.00 -1.05 0.00 0.00 37.83 33.98 1wyn s LYS 137 CO 0.10 -0.04 0.97 -1.14 1.55 0.00 0.00 175.35 176.79 1wyn s GLN 138 N -2.07 0.27 -0.23 4.03 0.74 -1.26 -5.17 119.66 115.97 1wyn s GLN 138 Ca 0.53 0.52 -0.28 0.00 0.05 0.00 0.00 55.36 56.18 1wyn s GLN 138 Cb -0.27 0.29 0.13 0.00 1.10 0.00 0.00 33.01 34.26 1wyn s GLN 138 CO 0.35 -0.25 1.07 -2.00 -0.55 0.00 0.00 175.29 173.91 1wyn s GLU 139 N 2.82 0.48 0.27 1.67 2.56 -1.26 -5.19 118.70 120.06 1wyn s GLU 139 Ca 0.02 0.32 -0.21 0.00 0.00 0.00 0.00 54.97 55.10 1wyn s GLU 139 Cb -0.10 0.23 0.03 0.00 2.00 0.00 0.00 34.13 36.29 1wyn s GLU 139 CO -0.14 -0.11 0.76 -0.98 -0.56 0.00 0.00 175.26 174.23 1wyn s ARG 140 N -0.46 1.76 0.41 4.30 3.03 -1.26 -5.16 118.95 121.57 1wyn s ARG 140 Ca 0.02 -1.00 -0.23 0.00 2.03 0.00 0.00 55.73 56.55 1wyn s ARG 140 Cb -0.03 0.58 -0.09 0.00 -1.03 0.00 0.00 34.95 34.39 1wyn s ARG 140 CO -0.04 -0.81 1.04 -1.54 -1.13 0.00 0.00 175.30 172.82 1wyn s SER 141 N -2.95 6.73 -0.44 -2.89 1.04 -1.26 -5.02 113.70 108.91 1wyn s SER 141 Ca 0.12 1.99 0.06 0.00 0.48 0.00 0.00 55.95 58.60 1wyn s SER 141 Cb -0.05 -2.58 0.22 0.00 0.10 0.00 0.00 66.02 63.71 1wyn s SER 141 CO 0.07 -0.51 0.61 0.61 0.98 0.00 0.00 173.24 174.99 1wyn n GLY 142 N 0.20 1.46 0.21 7.32 0.00 -1.26 -4.97 105.19 108.15 1wyn n GLY 142 Ca 0.06 -0.77 -0.06 0.00 0.00 0.00 0.00 46.02 45.25 1wyn n GLY 142 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wyn h PRO 143 N 4.50 0.47 -6.51 1.61 0.13 -2.07 -3.47 132.00 126.66 1wyn h PRO 143 Ca 0.05 -0.25 -0.51 0.00 -0.87 0.00 0.00 66.00 64.42 1wyn h PRO 143 Cb 0.96 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 31.99 1wyn h PRO 143 CO 0.34 0.82 -0.82 0.43 -0.23 0.00 0.00 178.00 178.55 1wyn n SER 144 N -4.01 -3.19 -4.71 1.44 7.64 -1.26 -4.85 113.62 104.68 1wyn n SER 144 Ca -0.02 -0.92 -0.43 0.00 1.01 0.00 0.00 58.87 58.51 1wyn n SER 144 Cb 0.53 -3.27 -0.01 0.00 -1.01 0.00 0.00 64.21 60.44 1wyn n SER 144 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wyn n SER 145 N -2.80 3.13 0.00 6.43 7.64 -1.26 -5.36 113.62 121.40 1wyn n SER 145 Ca -0.02 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1wyn n SER 145 Cb 0.55 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 1wyn n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64