#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ynf s ALA 3 N 0.00 3.15 0.16 -2.53 0.00 -1.26 -3.93 121.76 117.34 1ynf s ALA 3 Ca 0.00 0.74 0.08 0.00 0.00 0.00 0.00 51.96 52.77 1ynf s ALA 3 Cb 0.00 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 1ynf s ALA 3 CO 0.00 -0.20 -0.16 -1.58 0.00 0.00 0.00 175.76 173.82 1ynf s TRP 4 N -1.56 1.67 -0.20 0.00 0.51 -0.21 -4.22 118.94 114.93 1ynf s TRP 4 Ca 0.55 -0.52 -0.19 0.00 -2.12 0.00 0.00 56.10 53.82 1ynf s TRP 4 Cb -0.24 -0.83 -0.03 0.00 -0.81 0.00 0.00 33.47 31.56 1ynf s TRP 4 CO 0.30 0.27 0.55 -2.00 -0.51 0.00 0.00 176.95 175.56 1ynf s GLU 5 N -2.93 4.19 -0.16 4.98 2.12 -1.26 -0.42 118.70 125.22 1ynf s GLU 5 Ca 0.15 0.47 -0.04 0.00 0.36 0.00 0.00 54.97 55.91 1ynf s GLU 5 Cb -0.04 -3.57 -0.03 0.00 0.26 0.00 0.00 34.13 30.75 1ynf s GLU 5 CO 0.05 -0.17 -0.04 0.08 -0.54 0.00 0.00 175.26 174.64 1ynf s VAL 6 N 1.71 3.85 -0.17 3.70 1.01 0.03 -4.43 120.40 126.10 1ynf s VAL 6 Ca 0.25 -0.37 -0.19 0.00 0.00 0.00 0.00 61.98 61.67 1ynf s VAL 6 Cb -0.16 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 1ynf s VAL 6 CO 0.10 0.49 0.56 0.20 0.00 0.00 0.00 175.10 176.44 1ynf s ASN 7 N 0.46 6.66 -0.30 3.32 0.01 -0.63 -1.03 114.94 123.43 1ynf s ASN 7 Ca -0.04 0.79 -0.07 0.00 -0.71 0.00 0.00 52.86 52.84 1ynf s ASN 7 Cb -0.14 -2.32 0.01 0.00 0.41 0.00 0.00 41.25 39.21 1ynf s ASN 7 CO 0.03 -0.17 0.08 -0.36 -1.51 0.00 0.00 177.10 175.16 1ynf s PHE 8 N 1.48 3.16 0.11 2.20 0.40 -0.38 0.21 117.98 125.16 1ynf s PHE 8 Ca 0.27 -1.06 0.02 0.00 -0.60 0.00 0.00 56.93 55.56 1ynf s PHE 8 Cb -0.16 -2.25 -0.04 0.00 0.51 0.00 0.00 43.02 41.09 1ynf s PHE 8 CO 0.11 -0.60 0.22 -0.51 0.70 0.00 0.00 175.22 175.14 1ynf s ASP 9 N 1.48 6.19 -0.19 1.36 1.11 -0.60 -0.10 116.67 125.91 1ynf s ASP 9 Ca 0.02 0.16 -0.20 0.00 0.18 0.00 0.00 52.55 52.70 1ynf s ASP 9 Cb -0.17 -1.84 -0.03 0.00 1.07 0.00 0.00 42.92 41.95 1ynf s ASP 9 CO 0.02 0.10 0.60 -0.83 1.18 0.00 0.00 175.17 176.24 1ynf s GLY 10 N -2.90 2.08 -0.38 0.21 0.00 -0.68 0.03 107.32 105.68 1ynf s GLY 10 Ca 0.34 -0.29 -0.29 0.00 0.00 0.00 0.00 44.72 44.47 1ynf s GLY 10 CO 0.27 1.23 1.12 -2.27 0.00 0.00 0.00 173.10 173.45 1ynf s LEU 11 N 1.78 3.81 0.16 0.66 2.96 0.01 -4.90 118.68 123.15 1ynf s LEU 11 Ca 0.28 0.83 -0.34 0.00 -0.22 0.00 0.00 54.13 54.68 1ynf s LEU 11 Cb -0.16 -3.55 -0.15 0.00 0.50 0.00 0.00 46.19 42.83 1ynf s LEU 11 CO 0.10 -1.04 1.34 0.52 -1.32 0.00 0.00 176.35 175.95 1ynf n VAL 12 N 6.28 0.46 -1.62 1.68 0.31 -1.26 -3.42 118.33 120.77 1ynf n VAL 12 Ca 0.12 -0.12 -0.30 0.00 -0.01 0.00 0.00 64.34 64.04 1ynf n VAL 12 Cb 0.48 -1.07 0.09 0.00 -0.91 0.00 0.00 33.84 32.42 1ynf n VAL 12 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1ynf s GLY 13 N 0.36 1.62 0.57 2.92 0.00 -1.26 -4.73 107.32 106.79 1ynf s GLY 13 Ca 0.77 -0.27 0.35 0.00 0.00 0.00 0.00 44.72 45.56 1ynf s GLY 13 CO 0.47 0.16 2.07 1.41 0.00 0.00 0.00 173.10 177.22 1ynf h LEU 14 N -1.06 0.00 -2.64 0.66 4.07 -1.93 -3.06 115.31 111.35 1ynf h LEU 14 Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.49 1ynf h LEU 14 Cb 1.27 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.01 1ynf h LEU 14 CO 0.60 0.04 0.00 0.35 -1.08 0.00 0.00 178.44 178.35 1ynf n THR 15 N -3.19 1.35 -1.71 0.22 -2.24 -1.26 -4.83 114.28 102.62 1ynf n THR 15 Ca -0.01 -0.97 -0.61 0.00 -2.27 0.00 0.00 64.05 60.19 1ynf n THR 15 Cb 0.25 0.19 -0.08 0.00 -2.10 0.00 0.00 70.33 68.59 1ynf n THR 15 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1ynf n HIS 16 N 1.11 1.87 -3.92 4.78 -0.00 -1.16 -4.52 115.22 113.39 1ynf n HIS 16 Ca 0.22 0.78 -0.08 0.00 -0.00 0.00 0.00 57.72 58.64 1ynf n HIS 16 Cb 0.71 -2.36 -0.03 0.00 -0.00 0.00 0.00 29.99 28.31 1ynf n HIS 16 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1ynf s HIS 17 N 3.09 0.09 -0.20 1.57 -3.43 -1.26 -4.52 115.29 110.63 1ynf s HIS 17 Ca 1.00 -0.52 -0.06 0.00 -0.80 0.00 0.00 55.06 54.68 1ynf s HIS 17 Cb -1.23 0.48 -0.03 0.00 -1.43 0.00 0.00 32.58 30.37 1ynf s HIS 17 CO 0.71 -1.16 0.04 0.71 -2.00 0.00 0.00 174.74 173.04 1ynf s TYR 18 N -3.84 3.12 -0.08 0.38 4.12 -1.26 -4.93 117.35 114.86 1ynf s TYR 18 Ca 0.17 -0.24 0.18 0.00 0.02 0.00 0.00 57.07 57.19 1ynf s TYR 18 Cb -0.04 -2.11 0.37 0.00 -1.52 0.00 0.00 41.96 38.66 1ynf s TYR 18 CO 0.08 -0.12 1.17 0.00 0.02 0.00 0.00 175.55 176.71 1ynf n ALA 19 N 4.13 2.78 -0.10 3.71 0.00 -1.26 -4.65 120.51 125.12 1ynf n ALA 19 Ca -0.17 -2.58 0.00 0.00 0.00 0.00 0.00 53.44 50.70 1ynf n ALA 19 Cb 0.52 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.42 1ynf n ALA 19 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1ynf n HIS 31 N -0.26 0.00 -0.15 0.00 -0.00 -1.26 -5.14 115.22 108.41 1ynf n HIS 31 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.83 1ynf n HIS 31 Cb 0.91 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.90 1ynf n HIS 31 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 1ynf n ARG 32 N -0.62 2.63 -2.12 -1.40 3.00 -1.26 -5.05 116.66 111.84 1ynf n ARG 32 Ca 0.00 -1.45 -0.39 0.00 -0.00 0.00 0.00 57.85 56.01 1ynf n ARG 32 Cb 0.31 -0.97 -0.01 0.00 0.00 0.00 0.00 32.46 31.79 1ynf n ARG 32 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1ynf s PHE 33 N -0.98 2.89 -0.03 -0.14 0.40 -1.26 -4.92 117.98 113.94 1ynf s PHE 33 Ca 0.01 1.45 0.03 0.00 -0.60 0.00 0.00 56.93 57.82 1ynf s PHE 33 Cb 0.01 -3.60 -0.04 0.00 0.51 0.00 0.00 43.02 39.90 1ynf s PHE 33 CO 0.00 -1.88 0.07 1.04 0.70 0.00 0.00 175.22 175.16 1ynf n GLN 34 N 0.15 1.46 -3.61 0.44 1.13 -1.26 -4.86 117.38 110.83 1ynf n GLN 34 Ca 0.04 -0.02 -0.38 0.00 -1.94 0.00 0.00 57.00 54.70 1ynf n GLN 34 Cb 0.44 -0.97 -0.11 0.00 0.11 0.00 0.00 30.24 29.71 1ynf n GLN 34 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1ynf s VAL 35 N -1.98 5.14 0.34 5.09 1.01 -1.26 -4.45 120.40 124.28 1ynf s VAL 35 Ca -0.01 0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.11 1ynf s VAL 35 Cb 0.02 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 1ynf s VAL 35 CO 0.12 0.22 0.27 -0.94 0.00 0.00 0.00 175.10 174.77 1ynf s SER 36 N 1.73 5.18 -0.53 3.32 1.04 -0.08 -4.90 113.70 119.46 1ynf s SER 36 Ca 0.07 -0.55 0.04 0.00 0.48 0.00 0.00 55.95 55.99 1ynf s SER 36 Cb -0.16 -0.93 0.15 0.00 0.10 0.00 0.00 66.02 65.18 1ynf s SER 36 CO 0.10 -0.35 0.33 0.21 0.98 0.00 0.00 173.24 174.50 1ynf s ASN 37 N -3.97 3.89 0.18 7.02 3.84 -1.26 -1.38 114.94 123.26 1ynf s ASN 37 Ca 0.40 -3.11 -0.14 0.00 0.21 0.00 0.00 52.86 50.22 1ynf s ASN 37 Cb -0.05 -1.28 0.17 0.00 -0.55 0.00 0.00 41.25 39.54 1ynf s ASN 37 CO 0.26 -0.20 1.68 -0.65 -2.79 0.00 0.00 177.10 175.40 1ynf h PRO 38 N 6.18 0.09 -0.23 0.43 0.11 -1.79 -0.46 132.00 136.33 1ynf h PRO 38 Ca 0.05 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.20 1ynf h PRO 38 Cb 0.87 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.92 1ynf h PRO 38 CO 0.59 0.06 -0.04 -0.09 -0.21 0.00 0.00 178.00 178.31 1ynf h ARG 39 N 0.09 0.03 -0.29 1.05 2.43 -1.65 -1.24 114.38 114.80 1ynf h ARG 39 Ca 0.24 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.33 1ynf h ARG 39 Cb 0.36 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 1ynf h ARG 39 CO -0.42 0.02 -0.15 1.25 -1.51 0.00 0.00 179.97 179.16 1ynf h LEU 40 N 0.03 0.49 -0.43 3.80 5.85 -1.73 -1.64 115.31 121.67 1ynf h LEU 40 Ca 0.11 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1ynf h LEU 40 Cb 0.16 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1ynf h LEU 40 CO -0.22 0.66 0.27 0.00 -0.34 0.00 0.00 178.44 178.81 1ynf h ALA 41 N 1.39 0.54 -0.28 1.25 0.00 -0.35 -0.12 119.26 121.69 1ynf h ALA 41 Ca 0.08 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1ynf h ALA 41 Cb 0.53 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1ynf h ALA 41 CO 0.03 0.02 -0.05 0.00 0.00 0.00 0.00 179.25 179.26 1ynf h ALA 42 N 1.13 0.38 -0.87 0.00 0.00 -0.98 -2.69 119.26 116.23 1ynf h ALA 42 Ca 0.15 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1ynf h ALA 42 Cb -0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1ynf h ALA 42 CO -0.03 0.17 0.44 0.87 0.00 0.00 0.00 179.25 180.70 1ynf h LYS 43 N 0.29 1.24 -0.85 0.00 1.57 -1.11 0.17 116.57 117.87 1ynf h LYS 43 Ca 0.07 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1ynf h LYS 43 Cb 0.51 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 1ynf h LYS 43 CO 0.02 0.93 0.46 1.96 -0.57 0.00 0.00 179.45 182.25 1ynf h GLN 44 N 1.23 1.19 -0.38 3.15 4.20 -0.97 -0.01 115.11 123.52 1ynf h GLN 44 Ca 0.30 -0.14 -0.16 0.00 0.06 0.00 0.00 58.65 58.71 1ynf h GLN 44 Cb 0.08 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 1ynf h GLN 44 CO -0.04 0.87 -0.39 0.78 -0.67 0.00 0.00 178.83 179.38 1ynf h GLY 45 N 1.21 1.00 1.23 3.46 0.00 -1.04 -2.78 103.07 106.15 1ynf h GLY 45 Ca 0.30 -1.03 -0.09 0.00 0.00 0.00 0.00 47.33 46.51 1ynf h GLY 45 CO -0.05 0.93 -0.01 1.41 0.00 0.00 0.00 176.54 178.82 1ynf h LEU 46 N 0.75 0.90 -0.61 3.11 3.38 -0.60 -2.90 115.31 119.35 1ynf h LEU 46 Ca 0.06 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1ynf h LEU 46 Cb 0.98 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 1ynf h LEU 46 CO 0.10 0.97 0.38 -0.07 0.09 0.00 0.00 178.44 179.91 1ynf h LEU 47 N 0.85 0.71 -1.56 1.67 3.38 -0.92 0.48 115.31 119.93 1ynf h LEU 47 Ca 0.16 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1ynf h LEU 47 Cb 0.52 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1ynf h LEU 47 CO 0.03 0.54 0.00 1.17 0.09 0.00 0.00 178.44 180.26 1ynf n LYS 48 N -4.64 0.18 0.00 1.13 4.81 -1.06 -1.04 118.16 117.55 1ynf n LYS 48 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1ynf n LYS 48 Cb 0.04 -1.27 0.00 0.00 0.02 0.00 0.00 35.03 33.82 1ynf n LYS 48 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1ynf n LYS 50 N 0.69 0.00 -0.13 1.64 3.00 0.16 -2.06 118.16 121.46 1ynf n LYS 50 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.25 1ynf n LYS 50 Cb 0.07 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.12 1ynf n LYS 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ynf h ALA 51 N 0.00 0.50 -0.56 3.14 0.00 -1.33 0.22 119.26 121.23 1ynf h ALA 51 Ca 0.00 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1ynf h ALA 51 Cb 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1ynf h ALA 51 CO 0.00 -0.17 0.05 -0.07 0.00 0.00 0.00 179.25 179.06 1ynf h LEU 52 N 0.39 0.93 -0.15 0.00 3.38 -1.67 -1.05 115.31 117.15 1ynf h LEU 52 Ca 0.18 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1ynf h LEU 52 Cb 0.10 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1ynf h LEU 52 CO -0.13 0.98 0.10 0.00 0.09 0.00 0.00 178.44 179.48 1ynf h ALA 53 N 0.98 0.19 -0.63 1.53 0.00 -1.51 -1.36 119.26 118.46 1ynf h ALA 53 Ca 0.17 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1ynf h ALA 53 Cb 0.48 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1ynf h ALA 53 CO 0.02 -0.33 0.41 -0.44 0.00 0.00 0.00 179.25 178.92 1ynf h ASP 54 N 0.19 0.68 0.03 0.00 5.19 -0.38 -0.87 116.42 121.26 1ynf h ASP 54 Ca 0.05 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1ynf h ASP 54 Cb -0.02 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.33 1ynf h ASP 54 CO -0.01 0.48 0.00 0.00 -3.12 0.00 0.00 179.24 176.59 1ynf n ALA 55 N -2.45 2.43 0.00 3.45 0.00 -0.41 -4.87 120.51 118.66 1ynf n ALA 55 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1ynf n ALA 55 Cb 0.09 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1ynf n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ynf n GLY 56 N 0.60 0.74 3.54 0.00 0.00 -0.33 -5.07 105.19 104.67 1ynf n GLY 56 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1ynf n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ynf s PHE 57 N -2.00 3.18 -0.14 1.61 0.40 -0.57 -5.01 117.98 115.45 1ynf s PHE 57 Ca 0.00 0.02 -0.41 0.00 -0.60 0.00 0.00 56.93 55.94 1ynf s PHE 57 Cb 0.00 -2.85 -0.18 0.00 0.51 0.00 0.00 43.02 40.50 1ynf s PHE 57 CO 0.00 -0.54 1.38 -2.30 0.70 0.00 0.00 175.22 174.46 1ynf n PRO 58 N 5.61 0.50 -4.11 0.24 -0.02 -1.26 -3.75 135.00 132.21 1ynf n PRO 58 Ca -0.07 0.18 -0.14 0.00 -2.02 0.00 0.00 63.50 61.45 1ynf n PRO 58 Cb 0.49 -1.75 -0.13 0.00 -0.02 0.00 0.00 33.50 32.09 1ynf n PRO 58 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1ynf s GLN 59 N 1.44 0.49 0.32 -0.52 2.00 -1.26 -1.61 119.66 120.52 1ynf s GLN 59 Ca 0.94 -0.50 0.01 0.00 -2.00 0.00 0.00 55.36 53.80 1ynf s GLN 59 Cb -1.21 -0.36 -0.01 0.00 0.80 0.00 0.00 33.01 32.23 1ynf s GLN 59 CO 0.62 0.08 0.37 0.00 -0.50 0.00 0.00 175.29 175.86 1ynf s ALA 60 N -0.81 1.18 0.05 1.58 0.00 0.13 -4.85 121.76 119.05 1ynf s ALA 60 Ca -0.04 -1.72 0.02 0.00 0.00 0.00 0.00 51.96 50.22 1ynf s ALA 60 Cb -0.06 1.30 -0.03 0.00 0.00 0.00 0.00 23.12 24.32 1ynf s ALA 60 CO 0.00 -0.73 -0.07 0.54 0.00 0.00 0.00 175.76 175.50 1ynf s VAL 61 N -3.34 0.55 -0.10 0.00 0.11 -0.33 -1.56 120.40 115.73 1ynf s VAL 61 Ca 0.35 -1.29 0.02 0.00 -2.93 0.00 0.00 61.98 58.13 1ynf s VAL 61 Cb 0.01 -0.87 0.01 0.00 -1.53 0.00 0.00 36.38 34.01 1ynf s VAL 61 CO 0.22 -0.52 -0.15 -0.63 -3.33 0.00 0.00 175.10 170.69 1ynf s ILE 62 N -1.96 1.46 0.80 7.04 1.01 0.10 -4.84 121.20 124.81 1ynf s ILE 62 Ca -0.05 -0.64 -0.11 0.00 0.00 0.00 0.00 60.65 59.86 1ynf s ILE 62 Cb -0.06 -1.33 0.07 0.00 0.01 0.00 0.00 42.46 41.15 1ynf s ILE 62 CO -0.01 0.43 1.09 -2.16 0.00 0.00 0.00 174.94 174.29 1ynf s PRO 63 N 0.86 2.07 1.11 2.79 0.04 -1.26 -0.81 135.00 139.79 1ynf s PRO 63 Ca -0.10 1.05 -0.18 0.00 0.04 0.00 0.00 61.00 61.81 1ynf s PRO 63 Cb -0.15 -1.88 0.26 0.00 0.04 0.00 0.00 34.50 32.76 1ynf s PRO 63 CO 0.01 -1.74 1.23 -1.25 0.04 0.00 0.00 177.00 175.28 1ynf s PRO 64 N -4.93 -0.50 0.47 0.56 0.04 -1.22 -4.74 135.00 124.67 1ynf s PRO 64 Ca 0.61 -0.33 0.07 0.00 0.04 0.00 0.00 61.00 61.39 1ynf s PRO 64 Cb -0.17 -1.70 -0.00 0.00 0.04 0.00 0.00 34.50 32.66 1ynf s PRO 64 CO 0.56 -3.19 0.36 -1.01 0.04 0.00 0.00 177.00 173.76 1ynf s HIS 65 N -3.49 2.26 -0.30 0.56 3.76 -1.26 -5.04 115.29 111.78 1ynf s HIS 65 Ca 0.74 -0.65 -0.29 0.00 -0.15 0.00 0.00 55.06 54.72 1ynf s HIS 65 Cb -0.05 -2.03 -0.02 0.00 1.11 0.00 0.00 32.58 31.58 1ynf s HIS 65 CO 0.55 -0.21 1.74 -2.00 -0.85 0.00 0.00 174.74 173.96 1ynf s GLU 66 N -4.15 3.48 -0.04 1.40 2.12 -1.26 -4.93 118.70 115.32 1ynf s GLU 66 Ca 0.42 1.48 -0.02 0.00 0.36 0.00 0.00 54.97 57.21 1ynf s GLU 66 Cb -0.01 -4.15 0.03 0.00 0.26 0.00 0.00 34.13 30.26 1ynf s GLU 66 CO 0.25 -1.68 0.09 1.03 -0.54 0.00 0.00 175.26 174.40 1ynf s ARG 67 N 5.35 0.04 0.71 4.30 1.81 -1.26 -3.59 118.95 126.31 1ynf s ARG 67 Ca 0.77 0.25 -0.16 0.00 -1.72 0.00 0.00 55.73 54.87 1ynf s ARG 67 Cb -0.23 -0.17 0.03 0.00 -0.45 0.00 0.00 34.95 34.13 1ynf s ARG 67 CO 0.33 -0.14 1.22 -2.14 -0.68 0.00 0.00 175.30 173.89 1ynf s PRO 68 N 0.92 2.22 -0.86 3.54 0.02 -1.26 -4.85 135.00 134.73 1ynf s PRO 68 Ca -0.07 1.81 -0.14 0.00 0.02 0.00 0.00 61.00 62.61 1ynf s PRO 68 Cb -0.10 -1.84 0.21 0.00 0.02 0.00 0.00 34.50 32.80 1ynf s PRO 68 CO -0.04 -1.78 0.83 0.12 -0.33 0.00 0.00 177.00 175.81 1ynf s PHE 69 N -1.88 3.74 0.36 6.54 5.36 0.34 -4.92 117.98 127.51 1ynf s PHE 69 Ca 0.76 -1.98 0.03 0.00 -0.96 0.00 0.00 56.93 54.78 1ynf s PHE 69 Cb -0.30 -3.87 0.66 0.00 -0.34 0.00 0.00 43.02 39.17 1ynf s PHE 69 CO 0.44 -1.04 1.99 0.82 -1.46 0.00 0.00 175.22 175.96 1ynf h ILE 70 N 4.80 1.16 -0.92 3.12 5.03 -1.88 -3.11 117.51 125.71 1ynf h ILE 70 Ca 0.12 -0.39 0.20 0.00 -0.12 0.00 0.00 64.86 64.67 1ynf h ILE 70 Cb 1.03 0.45 -0.07 0.00 -3.03 0.00 0.00 36.82 35.19 1ynf h ILE 70 CO 0.81 0.17 0.60 -0.65 -0.68 0.00 0.00 178.15 178.40 1ynf h PRO 71 N 0.72 0.44 0.00 2.37 0.11 -1.99 0.12 132.00 133.77 1ynf h PRO 71 Ca 0.19 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.15 1ynf h PRO 71 Cb 0.01 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.00 1ynf h PRO 71 CO -0.03 0.29 -0.56 -0.24 -0.21 0.00 0.00 178.00 177.26 1ynf h VAL 72 N 0.46 1.18 -0.20 3.15 3.04 -1.97 -2.29 116.25 119.61 1ynf h VAL 72 Ca 0.49 -2.07 -0.11 0.00 -1.01 0.00 0.00 66.70 64.00 1ynf h VAL 72 Cb 1.14 2.19 -0.01 0.00 -2.01 0.00 0.00 31.29 32.59 1ynf h VAL 72 CO -0.20 0.55 -0.36 -0.07 -1.01 0.00 0.00 177.57 176.47 1ynf h LEU 73 N 0.00 0.44 -0.62 3.16 3.38 -0.91 -1.36 115.31 119.40 1ynf h LEU 73 Ca -0.01 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.66 1ynf h LEU 73 Cb 1.14 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1ynf h LEU 73 CO 0.07 0.77 -0.23 0.03 0.09 0.00 0.00 178.44 179.17 1ynf h ARG 74 N 0.36 0.84 0.00 1.13 3.08 -1.15 -2.05 114.38 116.59 1ynf h ARG 74 Ca 0.04 -0.35 -0.03 0.00 0.07 0.00 0.00 59.98 59.71 1ynf h ARG 74 Cb 0.81 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 1ynf h ARG 74 CO 0.07 0.98 -0.14 0.37 -1.07 0.00 0.00 179.97 180.18 1ynf h GLN 75 N 0.72 0.00 -0.05 0.04 4.15 -0.84 -1.30 115.11 117.83 1ynf h GLN 75 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.52 1ynf h GLN 75 Cb 0.77 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.46 1ynf h GLN 75 CO 0.06 0.14 0.00 1.28 -1.93 0.00 0.00 178.83 178.38 1ynf n LEU 76 N -3.97 0.85 0.00 -2.39 4.77 -0.56 -4.91 117.00 110.78 1ynf n LEU 76 Ca -0.02 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 1ynf n LEU 76 Cb 0.23 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1ynf n LEU 76 CO 0.33 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1ynf n GLY 77 N 1.03 0.63 3.62 -0.72 0.00 -0.49 -5.07 105.19 104.19 1ynf n GLY 77 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1ynf n GLY 77 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ynf s PHE 78 N -2.00 3.27 0.42 1.61 0.40 -0.98 -5.02 117.98 115.69 1ynf s PHE 78 Ca 0.00 0.59 0.07 0.00 -0.60 0.00 0.00 56.93 57.00 1ynf s PHE 78 Cb 0.00 -2.67 -0.03 0.00 0.51 0.00 0.00 43.02 40.83 1ynf s PHE 78 CO 0.00 -0.24 0.31 -1.54 0.70 0.00 0.00 175.22 174.45 1ynf s SER 79 N 1.52 4.82 0.00 1.36 1.04 -1.26 -3.90 113.70 117.27 1ynf s SER 79 Ca 0.20 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.75 1ynf s SER 79 Cb -0.16 -0.50 0.00 0.00 0.10 0.00 0.00 66.02 65.47 1ynf s SER 79 CO 0.09 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.29 1ynf n GLY 80 N -1.45 0.18 3.92 7.32 0.00 -1.26 -4.17 105.19 109.73 1ynf n GLY 80 Ca 0.02 -2.23 -0.27 0.00 0.00 0.00 0.00 46.02 43.54 1ynf n GLY 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ynf s SER 81 N -4.00 5.18 0.27 1.61 1.04 -1.26 -4.76 113.70 111.79 1ynf s SER 81 Ca 0.00 0.69 0.01 0.00 0.48 0.00 0.00 55.95 57.12 1ynf s SER 81 Cb 0.00 -1.48 0.60 0.00 0.10 0.00 0.00 66.02 65.24 1ynf s SER 81 CO 0.00 -1.38 1.75 0.44 0.98 0.00 0.00 173.24 175.03 1ynf h ASP 82 N -0.48 0.50 -0.44 7.02 3.32 -1.99 0.18 116.42 124.52 1ynf h ASP 82 Ca -0.45 0.11 -0.12 0.00 0.02 0.00 0.00 57.03 56.59 1ynf h ASP 82 Cb 1.28 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.86 1ynf h ASP 82 CO 0.61 0.17 -0.19 -0.33 -1.72 0.00 0.00 179.24 177.79 1ynf h GLU 83 N 0.58 0.90 -0.38 3.56 5.08 -1.99 -1.93 114.58 120.40 1ynf h GLU 83 Ca 0.50 -0.38 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 1ynf h GLU 83 Cb 0.77 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1ynf h GLU 83 CO -0.40 1.03 -0.07 1.96 -1.00 0.00 0.00 179.01 180.52 1ynf h GLN 84 N 0.73 0.73 -0.22 2.33 4.20 -1.55 -0.20 115.11 121.13 1ynf h GLN 84 Ca 0.10 -0.27 0.02 0.00 0.06 0.00 0.00 58.65 58.56 1ynf h GLN 84 Cb 0.75 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 1ynf h GLN 84 CO 0.06 0.86 0.09 0.28 -0.67 0.00 0.00 178.83 179.45 1ynf h VAL 85 N 0.53 0.96 -0.71 -0.54 2.07 -0.70 0.44 116.25 118.30 1ynf h VAL 85 Ca 0.10 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.62 1ynf h VAL 85 Cb 0.58 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 1ynf h VAL 85 CO 0.03 0.04 0.40 0.25 0.02 0.00 0.00 177.57 178.31 1ynf h LEU 86 N 0.20 0.59 -0.36 2.57 5.85 -1.17 0.06 115.31 123.05 1ynf h LEU 86 Ca 0.09 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 1ynf h LEU 86 Cb 0.05 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1ynf h LEU 86 CO -0.08 0.37 -0.17 -0.08 -0.34 0.00 0.00 178.44 178.14 1ynf h GLU 87 N 0.72 0.75 -0.56 1.25 4.81 -0.22 -0.90 114.58 120.43 1ynf h GLU 87 Ca 0.32 -0.33 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1ynf h GLU 87 Cb 0.22 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 1ynf h GLU 87 CO -0.19 0.94 0.31 0.87 -0.73 0.00 0.00 179.01 180.20 1ynf h LYS 88 N 0.54 0.78 -0.41 1.92 1.57 0.43 -0.90 116.57 120.49 1ynf h LYS 88 Ca 0.08 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1ynf h LYS 88 Cb 0.71 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1ynf h LYS 88 CO 0.05 0.60 -0.02 0.28 -0.57 0.00 0.00 179.45 179.79 1ynf h VAL 89 N 0.75 1.26 -0.78 0.50 2.07 -0.93 0.48 116.25 119.61 1ynf h VAL 89 Ca 0.20 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 66.69 1ynf h VAL 89 Cb 0.04 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 1ynf h VAL 89 CO -0.03 0.36 0.50 0.00 0.02 0.00 0.00 177.57 178.41 1ynf h ALA 90 N 0.88 1.02 0.01 1.67 0.00 -0.91 0.38 119.26 122.31 1ynf h ALA 90 Ca 0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ynf h ALA 90 Cb 0.51 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ynf h ALA 90 CO 0.03 0.31 -0.00 0.00 0.00 0.00 0.00 179.25 179.58 1ynf h ARG 91 N 0.97 -0.01 0.07 0.00 -0.00 -0.96 -3.33 114.38 111.13 1ynf h ARG 91 Ca 0.31 0.00 -0.13 0.00 -0.50 0.00 0.00 59.98 59.66 1ynf h ARG 91 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 29.97 29.98 1ynf h ARG 91 CO -0.11 0.79 -0.60 1.96 0.00 0.00 0.00 179.97 182.01 1ynf h GLN 92 N -0.83 0.15 -1.50 0.04 4.20 0.01 -3.43 115.11 113.75 1ynf h GLN 92 Ca -0.00 -0.26 -0.46 0.00 0.06 0.00 0.00 58.65 57.99 1ynf h GLN 92 Cb 0.80 0.10 -0.33 0.00 0.30 0.00 0.00 27.48 28.35 1ynf h GLN 92 CO 0.00 1.12 -0.97 0.00 -0.67 0.00 0.00 178.83 178.31 1ynf n ALA 93 N -2.74 1.42 0.18 3.87 0.00 0.34 -4.99 120.51 118.58 1ynf n ALA 93 Ca -0.15 -2.90 0.18 0.00 0.00 0.00 0.00 53.44 50.56 1ynf n ALA 93 Cb 0.69 -0.96 0.73 0.00 0.00 0.00 0.00 19.45 19.91 1ynf n ALA 93 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ynf h PRO 94 N 3.72 0.00 0.00 0.00 0.13 -0.49 -2.27 132.00 133.08 1ynf h PRO 94 Ca 0.02 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.14 1ynf h PRO 94 Cb 0.94 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 1ynf h PRO 94 CO 0.42 0.00 -0.08 1.12 -0.23 0.00 0.00 178.00 179.23 1ynf h HIS 95 N 0.00 0.00 0.00 1.56 2.07 -1.93 -2.11 115.15 114.74 1ynf h HIS 95 Ca 0.12 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.54 1ynf h HIS 95 Cb 1.05 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.02 1ynf h HIS 95 CO 0.00 0.08 -0.49 -1.49 -3.07 0.00 0.00 177.93 172.95 1ynf h TRP 96 N 0.00 0.00 -0.41 6.12 4.06 -1.75 -3.21 115.95 120.76 1ynf h TRP 96 Ca -0.00 0.00 0.09 0.00 2.06 0.00 0.00 58.89 61.03 1ynf h TRP 96 Cb 0.32 0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 28.39 1ynf h TRP 96 CO 0.00 0.49 -0.16 -0.07 -3.56 0.00 0.00 178.44 175.14 1ynf h LEU 97 N 0.00 -0.57 -0.66 -4.49 3.38 -1.57 -1.42 115.31 109.97 1ynf h LEU 97 Ca -0.00 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1ynf h LEU 97 Cb 0.93 0.32 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 1ynf h LEU 97 CO 0.06 -0.20 0.36 -1.28 0.09 0.00 0.00 178.44 177.48 1ynf h SER 98 N -0.08 0.83 0.33 -0.43 0.87 -1.70 -2.25 113.55 111.12 1ynf h SER 98 Ca 0.20 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1ynf h SER 98 Cb 0.39 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1ynf h SER 98 CO -0.46 0.69 -0.08 0.28 -0.53 0.00 0.00 176.83 176.72 1ynf h SER 99 N 0.91 0.00 -0.31 6.23 0.02 -1.35 -2.32 113.55 116.73 1ynf h SER 99 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1ynf h SER 99 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1ynf h SER 99 CO -0.04 0.08 0.00 1.33 -1.14 0.00 0.00 176.83 177.06 1ynf n VAL 100 N -3.54 1.53 -1.30 2.27 0.24 -0.68 -4.38 118.33 112.47 1ynf n VAL 100 Ca -0.02 -1.35 0.05 0.00 -2.04 0.00 0.00 64.34 60.98 1ynf n VAL 100 Cb 0.20 0.19 0.08 0.00 -1.47 0.00 0.00 33.84 32.84 1ynf n VAL 100 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1ynf n SER 101 N 0.10 1.43 -4.76 -1.34 7.64 -0.88 -0.51 113.62 115.31 1ynf n SER 101 Ca 0.16 -2.55 -0.39 0.00 1.01 0.00 0.00 58.87 57.09 1ynf n SER 101 Cb 0.62 -0.30 -0.04 0.00 -1.01 0.00 0.00 64.21 63.48 1ynf n SER 101 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ynf s SER 102 N -1.98 7.08 -0.10 6.43 0.15 -1.18 -4.59 113.70 119.51 1ynf s SER 102 Ca 0.17 2.24 0.10 0.00 0.70 0.00 0.00 55.95 59.16 1ynf s SER 102 Cb 0.15 -2.62 0.46 0.00 -1.71 0.00 0.00 66.02 62.30 1ynf s SER 102 CO 0.02 -0.28 1.27 0.00 1.20 0.00 0.00 173.24 175.45 1ynf n ALA 103 N 0.81 3.04 -0.01 5.45 0.00 -1.26 -4.55 120.51 123.98 1ynf n ALA 103 Ca 0.01 -1.02 0.24 0.00 0.00 0.00 0.00 53.44 52.66 1ynf n ALA 103 Cb 0.46 -1.04 0.70 0.00 0.00 0.00 0.00 19.45 19.57 1ynf n ALA 103 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ynf h SER 104 N 2.45 0.00 0.00 0.00 4.64 -1.94 -3.42 113.55 115.28 1ynf h SER 104 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ynf h SER 104 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1ynf h SER 104 CO 0.20 0.00 0.84 -2.65 -0.87 0.00 0.00 176.83 174.35 1ynf n PRO 105 N -3.76 0.00 -1.45 4.77 -0.02 -1.26 -4.72 135.00 128.56 1ynf n PRO 105 Ca 0.12 -0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.21 1ynf n PRO 105 Cb 0.83 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 1ynf n PRO 105 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1ynf n TRP 107 N 4.51 0.00 0.60 6.00 8.01 -1.26 -4.89 117.44 130.42 1ynf n TRP 107 Ca 0.00 0.00 0.06 0.00 -1.31 0.00 0.00 57.50 56.25 1ynf n TRP 107 Cb 0.00 0.00 0.32 0.00 -2.01 0.00 0.00 31.31 29.62 1ynf n TRP 107 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.69 178.01 1ynf n VAL 108 N -0.19 0.60 0.30 -0.99 0.24 -1.11 -2.08 118.33 115.10 1ynf n VAL 108 Ca 0.00 0.15 0.18 0.00 -2.04 0.00 0.00 64.34 62.63 1ynf n VAL 108 Cb 0.00 -0.95 0.91 0.00 -1.47 0.00 0.00 33.84 32.33 1ynf n VAL 108 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ynf h ALA 109 N 2.60 1.07 -0.08 2.33 0.00 -1.52 -0.85 119.26 122.81 1ynf h ALA 109 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ynf h ALA 109 Cb 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ynf h ALA 109 CO 0.00 0.04 0.00 0.09 0.00 0.00 0.00 179.25 179.38 1ynf n ASN 110 N -3.23 3.02 -0.19 0.00 4.13 -0.88 -1.06 115.26 117.05 1ynf n ASN 110 Ca -0.01 -1.97 -0.08 0.00 1.68 0.00 0.00 54.58 54.19 1ynf n ASN 110 Cb 0.20 -0.04 0.02 0.00 -1.54 0.00 0.00 39.78 38.42 1ynf n ASN 110 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ynf h ALA 111 N 4.54 0.70 -2.57 5.41 0.00 -1.29 -3.40 119.26 122.64 1ynf h ALA 111 Ca 0.00 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 54.88 1ynf h ALA 111 Cb 0.97 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1ynf h ALA 111 CO 0.00 0.33 0.55 0.00 0.00 0.00 0.00 179.25 180.13 1ynf n ALA 112 N -2.36 -2.54 -2.94 0.00 0.00 -1.26 -1.38 120.51 110.03 1ynf n ALA 112 Ca 0.02 -1.02 -0.33 0.00 0.00 0.00 0.00 53.44 52.11 1ynf n ALA 112 Cb 0.18 0.60 -0.14 0.00 0.00 0.00 0.00 19.45 20.08 1ynf n ALA 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ynf s THR 113 N -2.08 2.89 -0.07 0.00 2.01 -0.46 -0.44 115.64 117.49 1ynf s THR 113 Ca 0.22 -0.74 -0.02 0.00 0.31 0.00 0.00 61.69 61.46 1ynf s THR 113 Cb -0.03 -2.18 -0.03 0.00 0.01 0.00 0.00 72.50 70.27 1ynf s THR 113 CO 0.06 0.54 0.02 -0.63 -0.69 0.00 0.00 174.62 173.92 1ynf s ILE 114 N 0.09 4.41 -0.26 1.82 -1.09 -1.26 -1.96 121.20 122.94 1ynf s ILE 114 Ca -0.07 -0.29 0.00 0.00 -2.23 0.00 0.00 60.65 58.07 1ynf s ILE 114 Cb -0.15 -2.89 0.08 0.00 -1.58 0.00 0.00 42.46 37.91 1ynf s ILE 114 CO 0.05 0.55 0.02 0.00 -1.23 0.00 0.00 174.94 174.32 1ynf s ALA 115 N -0.96 1.77 0.71 9.38 0.00 -0.19 -5.01 121.76 127.46 1ynf s ALA 115 Ca 0.15 -1.47 -0.16 0.00 0.00 0.00 0.00 51.96 50.48 1ynf s ALA 115 Cb -0.11 -1.51 0.03 0.00 0.00 0.00 0.00 23.12 21.53 1ynf s ALA 115 CO 0.05 -1.39 1.24 -2.14 0.00 0.00 0.00 175.76 173.52 1ynf s PRO 116 N 1.49 2.21 0.66 0.00 0.02 -1.26 -1.89 135.00 136.23 1ynf s PRO 116 Ca 0.02 1.87 0.41 0.00 0.02 0.00 0.00 61.00 63.32 1ynf s PRO 116 Cb -0.18 -1.83 2.25 0.00 0.02 0.00 0.00 34.50 34.76 1ynf s PRO 116 CO -0.12 -1.81 2.28 0.66 -0.33 0.00 0.00 177.00 177.68 1ynf h SER 117 N -0.08 0.00 0.73 2.53 4.64 -1.83 -0.51 113.55 119.04 1ynf h SER 117 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1ynf h SER 117 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1ynf h SER 117 CO 0.50 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.46 1ynf n ALA 118 N -2.07 1.88 0.38 5.18 0.00 -1.26 -3.15 120.51 121.47 1ynf n ALA 118 Ca -0.03 -0.04 0.04 0.00 0.00 0.00 0.00 53.44 53.41 1ynf n ALA 118 Cb 0.13 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.22 1ynf n ALA 118 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ynf n ASP 119 N -1.65 0.68 -4.89 0.00 8.00 -0.20 -4.16 116.55 114.32 1ynf n ASP 119 Ca 0.04 -0.84 -0.30 0.00 0.71 0.00 0.00 54.79 54.40 1ynf n ASP 119 Cb 0.24 0.79 -0.04 0.00 -0.02 0.00 0.00 41.12 42.09 1ynf n ASP 119 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1ynf s THR 120 N -1.56 5.04 0.25 -3.53 -4.23 -1.19 -2.57 115.64 107.85 1ynf s THR 120 Ca 0.05 0.16 0.17 0.00 -1.18 0.00 0.00 61.69 60.89 1ynf s THR 120 Cb 0.06 -3.67 0.12 0.00 1.34 0.00 0.00 72.50 70.35 1ynf s THR 120 CO 0.29 -0.16 1.77 -0.07 -0.54 0.00 0.00 174.62 175.91 1ynf h LEU 121 N 2.21 0.00 -3.04 4.79 3.38 -1.58 -3.02 115.31 118.06 1ynf h LEU 121 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1ynf h LEU 121 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1ynf h LEU 121 CO 0.69 0.39 0.00 -0.90 0.09 0.00 0.00 178.44 178.70 1ynf n ASP 122 N -3.70 3.93 -0.36 -0.43 5.68 -1.26 -4.97 116.55 115.43 1ynf n ASP 122 Ca -0.01 -2.36 -0.05 0.00 -0.50 0.00 0.00 54.79 51.87 1ynf n ASP 122 Cb 0.48 -0.45 -0.02 0.00 -1.14 0.00 0.00 41.12 39.99 1ynf n ASP 122 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ynf n GLY 123 N 0.68 0.54 3.81 6.12 0.00 -1.14 -4.99 105.19 110.20 1ynf n GLY 123 Ca 0.20 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 1ynf n GLY 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ynf s LYS 124 N -2.09 2.57 -0.12 1.61 1.02 -1.26 -4.77 119.74 116.70 1ynf s LYS 124 Ca 0.00 -1.42 -0.24 0.00 0.02 0.00 0.00 55.97 54.33 1ynf s LYS 124 Cb 0.00 -2.35 -0.03 0.00 -0.52 0.00 0.00 37.83 34.93 1ynf s LYS 124 CO 0.00 0.07 0.74 0.08 -0.92 0.00 0.00 175.35 175.33 1ynf s VAL 125 N -2.37 4.98 -0.07 3.17 1.01 -0.35 -3.94 120.40 122.82 1ynf s VAL 125 Ca 0.40 1.49 0.01 0.00 0.00 0.00 0.00 61.98 63.88 1ynf s VAL 125 Cb -0.04 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1ynf s VAL 125 CO 0.25 0.14 -0.09 -1.00 0.00 0.00 0.00 175.10 174.41 1ynf s HIS 126 N 1.48 2.88 -0.08 5.22 0.09 -0.79 -0.21 115.29 123.87 1ynf s HIS 126 Ca 0.37 -0.09 -0.01 0.00 -0.00 0.00 0.00 55.06 55.33 1ynf s HIS 126 Cb -0.17 -1.72 0.03 0.00 -0.00 0.00 0.00 32.58 30.72 1ynf s HIS 126 CO 0.15 0.23 -0.02 -0.51 -0.00 0.00 0.00 174.74 174.59 1ynf s LEU 127 N -0.63 0.78 -0.25 0.89 1.02 -0.32 -1.02 118.68 119.16 1ynf s LEU 127 Ca 0.09 -0.15 -0.04 0.00 0.02 0.00 0.00 54.13 54.05 1ynf s LEU 127 Cb -0.11 -0.57 0.00 0.00 0.02 0.00 0.00 46.19 45.53 1ynf s LEU 127 CO 0.02 -0.17 -0.01 -0.89 0.02 0.00 0.00 176.35 175.32 1ynf s THR 128 N 1.88 3.50 0.36 5.49 2.01 -0.83 -0.33 115.64 127.71 1ynf s THR 128 Ca 0.05 -0.61 -0.28 0.00 0.31 0.00 0.00 61.69 61.15 1ynf s THR 128 Cb -0.12 -2.68 -0.11 0.00 0.01 0.00 0.00 72.50 69.59 1ynf s THR 128 CO -0.06 0.29 1.51 -0.69 -0.69 0.00 0.00 174.62 174.98 1ynf s VAL 129 N 1.47 2.06 0.01 3.82 1.01 -0.80 -1.35 120.40 126.61 1ynf s VAL 129 Ca 0.04 0.05 -0.23 0.00 0.00 0.00 0.00 61.98 61.85 1ynf s VAL 129 Cb -0.15 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.14 1ynf s VAL 129 CO -0.02 0.01 0.67 0.00 0.00 0.00 0.00 175.10 175.77 1ynf s ALA 130 N -0.86 3.43 0.31 5.51 0.00 -0.48 -3.75 121.76 125.92 1ynf s ALA 130 Ca 0.55 0.14 0.14 0.00 0.00 0.00 0.00 51.96 52.80 1ynf s ALA 130 Cb -0.47 -2.86 0.67 0.00 0.00 0.00 0.00 23.12 20.46 1ynf s ALA 130 CO 0.60 0.11 1.77 -2.95 0.00 0.00 0.00 175.76 175.28 1ynf h ASN 131 N 5.71 0.00 -6.48 0.00 7.08 -1.84 -3.41 115.58 116.64 1ynf h ASN 131 Ca -0.44 0.00 -0.50 0.00 -3.08 0.00 0.00 56.30 52.27 1ynf h ASN 131 Cb 1.20 0.00 -0.09 0.00 -2.08 0.00 0.00 38.32 37.35 1ynf h ASN 131 CO 0.70 0.42 -0.82 0.18 -2.08 0.00 0.00 177.43 175.83 1ynf n LEU 132 N -3.87 -2.24 0.24 6.14 4.77 -0.23 -4.35 117.00 117.47 1ynf n LEU 132 Ca -0.01 -0.92 0.07 0.00 -0.03 0.00 0.00 56.01 55.12 1ynf n LEU 132 Cb 0.47 -2.32 0.59 0.00 -2.33 0.00 0.00 43.42 39.82 1ynf n LEU 132 CO 0.39 0.39 0.99 -1.13 -1.33 0.00 0.00 177.39 176.69 1ynf h ASN 133 N -1.80 0.00 -0.60 -1.43 -0.73 -1.91 -3.01 115.58 106.09 1ynf h ASN 133 Ca -0.60 0.00 0.07 0.00 1.87 0.00 0.00 56.30 57.64 1ynf h ASN 133 Cb 1.38 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 39.91 1ynf h ASN 133 CO 0.69 0.09 0.28 -1.13 -0.37 0.00 0.00 177.43 176.99 1ynf h ASN 134 N 0.00 0.35 -3.57 1.15 -0.73 -1.89 -3.40 115.58 107.50 1ynf h ASN 134 Ca -0.00 0.05 -0.65 0.00 1.87 0.00 0.00 56.30 57.58 1ynf h ASN 134 Cb 0.17 -0.00 -0.23 0.00 0.27 0.00 0.00 38.32 38.53 1ynf h ASN 134 CO 0.01 0.22 -0.64 -0.54 -0.37 0.00 0.00 177.43 176.12 1ynf s LYS 135 N -6.10 3.64 0.18 6.67 -0.14 -1.23 -5.01 119.74 117.75 1ynf s LYS 135 Ca -0.13 -0.49 -0.19 0.00 -1.36 0.00 0.00 55.97 53.80 1ynf s LYS 135 Cb 0.16 -3.25 0.13 0.00 -1.68 0.00 0.00 37.83 33.19 1ynf s LYS 135 CO 0.75 -0.13 1.62 0.35 -0.76 0.00 0.00 175.35 177.17 1ynf h PHE 136 N 8.02 -0.60 -0.02 3.18 3.04 -1.85 0.71 116.94 129.42 1ynf h PHE 136 Ca -0.38 0.05 0.00 0.00 3.98 0.00 0.00 57.97 61.63 1ynf h PHE 136 Cb 1.17 0.34 -0.00 0.00 2.56 0.00 0.00 35.95 40.02 1ynf h PHE 136 CO 0.64 -0.31 0.01 1.12 -2.02 0.00 0.00 178.31 177.75 1ynf h HIS 137 N -0.13 0.00 0.00 0.41 2.07 -1.94 -2.04 115.15 113.52 1ynf h HIS 137 Ca 0.22 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.65 1ynf h HIS 137 Cb 0.48 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.44 1ynf h HIS 137 CO -0.50 0.00 -1.19 0.00 -3.07 0.00 0.00 177.93 173.17 1ynf h ARG 138 N 0.00 0.00 0.00 5.12 3.08 -1.49 -3.32 114.38 117.77 1ynf h ARG 138 Ca 0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1ynf h ARG 138 Cb 0.03 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 1ynf h ARG 138 CO -0.00 0.18 -0.03 0.66 -1.07 0.00 0.00 179.97 179.71 1ynf h SER 139 N 0.00 0.00 1.04 7.04 4.64 -0.16 -1.69 113.55 124.42 1ynf h SER 139 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1ynf h SER 139 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1ynf h SER 139 CO 0.03 0.03 0.00 -0.07 -0.87 0.00 0.00 176.83 175.94 1ynf h LEU 140 N 0.00 0.00 -0.19 5.97 3.38 -1.63 -3.33 115.31 119.51 1ynf h LEU 140 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1ynf h LEU 140 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1ynf h LEU 140 CO 0.00 0.00 -0.15 -0.33 0.09 0.00 0.00 178.44 178.05 1ynf h GLU 141 N 0.00 0.43 -0.68 1.13 5.08 -1.52 -3.39 114.58 115.64 1ynf h GLU 141 Ca 0.00 -0.22 0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1ynf h GLU 141 Cb 0.52 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.68 1ynf h GLU 141 CO 0.00 0.77 -0.36 0.00 -1.00 0.00 0.00 179.01 178.43 1ynf n ALA 142 N -2.42 -0.32 -0.13 3.43 0.00 -1.25 -0.76 120.51 119.04 1ynf n ALA 142 Ca -0.05 0.61 -0.04 0.00 0.00 0.00 0.00 53.44 53.95 1ynf n ALA 142 Cb 0.37 -0.16 0.04 0.00 0.00 0.00 0.00 19.45 19.70 1ynf n ALA 142 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1ynf h PRO 143 N 0.00 0.27 -0.16 0.00 0.11 -1.87 0.78 132.00 131.14 1ynf h PRO 143 Ca 0.15 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 66.06 1ynf h PRO 143 Cb 0.32 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 1ynf h PRO 143 CO -0.65 0.18 -0.64 0.28 -0.21 0.00 0.00 178.00 176.96 1ynf h VAL 144 N 0.28 1.33 -0.71 3.15 2.07 -1.51 -2.74 116.25 118.12 1ynf h VAL 144 Ca 0.21 -1.93 -0.02 0.00 0.82 0.00 0.00 66.70 65.79 1ynf h VAL 144 Cb 0.23 1.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 1ynf h VAL 144 CO -0.24 0.60 0.37 0.74 0.02 0.00 0.00 177.57 179.06 1ynf h THR 145 N 0.42 1.22 -0.44 2.57 2.02 -0.49 -0.95 112.91 117.26 1ynf h THR 145 Ca -0.01 -0.56 -0.04 0.00 0.77 0.00 0.00 66.41 66.57 1ynf h THR 145 Cb 1.22 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1ynf h THR 145 CO 0.12 0.24 0.10 -0.08 0.37 0.00 0.00 175.52 176.28 1ynf h GLU 146 N 0.99 0.71 -0.64 6.66 4.81 -0.68 -1.23 114.58 125.19 1ynf h GLU 146 Ca 0.25 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1ynf h GLU 146 Cb 0.05 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 1ynf h GLU 146 CO -0.04 0.71 0.33 0.77 -0.73 0.00 0.00 179.01 180.05 1ynf h SER 147 N 0.58 0.83 -0.29 1.04 0.02 -1.12 -1.44 113.55 113.17 1ynf h SER 147 Ca 0.14 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1ynf h SER 147 Cb 0.33 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1ynf h SER 147 CO 0.00 0.71 0.14 -0.07 -1.14 0.00 0.00 176.83 176.47 1ynf h LEU 148 N 0.89 0.39 -1.00 5.07 3.38 -1.00 -1.50 115.31 121.54 1ynf h LEU 148 Ca 0.22 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1ynf h LEU 148 Cb 0.09 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1ynf h LEU 148 CO -0.03 0.41 0.26 -0.07 0.09 0.00 0.00 178.44 179.10 1ynf h LEU 149 N 0.34 0.90 -1.25 1.67 3.38 -1.02 -0.99 115.31 118.34 1ynf h LEU 149 Ca 0.10 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1ynf h LEU 149 Cb 0.13 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1ynf h LEU 149 CO -0.01 0.81 -0.20 0.11 0.09 0.00 0.00 178.44 179.23 1ynf h LYS 150 N 0.97 0.00 0.00 1.13 1.57 -1.04 0.40 116.57 119.59 1ynf h LYS 150 Ca 0.23 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.95 1ynf h LYS 150 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1ynf h LYS 150 CO -0.02 0.20 -0.72 0.00 -0.57 0.00 0.00 179.45 178.35 1ynf h ALA 151 N 1.80 0.70 0.03 3.86 0.00 -0.54 -3.08 119.26 122.03 1ynf h ALA 151 Ca -0.00 -0.25 -0.31 0.00 0.00 0.00 0.00 54.91 54.35 1ynf h ALA 151 Cb 0.68 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1ynf h ALA 151 CO 0.03 0.29 -1.69 -0.89 0.00 0.00 0.00 179.25 176.99 1ynf n ILE 152 N -2.93 1.60 -2.97 0.00 5.41 -0.44 -4.36 119.36 115.65 1ynf n ILE 152 Ca -0.00 -0.27 -0.38 0.00 1.00 0.00 0.00 62.75 63.10 1ynf n ILE 152 Cb 0.63 -1.91 -0.01 0.00 -0.71 0.00 0.00 39.64 37.65 1ynf n ILE 152 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1ynf n PHE 153 N -4.10 2.78 0.11 1.39 3.01 0.14 -1.62 117.46 119.17 1ynf n PHE 153 Ca -0.36 -2.97 -0.02 0.00 1.01 0.00 0.00 57.45 55.11 1ynf n PHE 153 Cb 0.82 -1.05 0.01 0.00 -0.01 0.00 0.00 39.48 39.26 1ynf n PHE 153 CO 0.00 0.00 0.00 -0.97 1.01 0.00 0.00 176.76 176.80 1ynf h ASN 154 N 4.66 0.00 -2.16 4.37 -0.73 -1.73 -3.43 115.58 116.56 1ynf h ASN 154 Ca 0.28 0.00 -0.52 0.00 1.87 0.00 0.00 56.30 57.93 1ynf h ASN 154 Cb 0.53 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.09 1ynf h ASN 154 CO 1.16 0.72 1.35 -0.62 -0.37 0.00 0.00 177.43 179.68 1ynf s ASP 155 N -6.61 5.38 0.24 1.15 -1.08 -1.26 -4.86 116.67 109.63 1ynf s ASP 155 Ca 0.02 0.68 0.22 0.00 -0.52 0.00 0.00 52.55 52.94 1ynf s ASP 155 Cb 0.10 -2.53 0.95 0.00 -1.46 0.00 0.00 42.92 39.98 1ynf s ASP 155 CO 0.77 -2.22 1.65 -0.62 0.52 0.00 0.00 175.17 175.28 1ynf n GLU 156 N 8.94 0.16 0.19 4.34 1.02 -1.26 -0.69 120.64 133.33 1ynf n GLU 156 Ca 0.22 0.45 0.13 0.00 -0.02 0.00 0.00 57.16 57.94 1ynf n GLU 156 Cb 0.51 -1.84 0.27 0.00 -0.02 0.00 0.00 31.44 30.35 1ynf n GLU 156 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1ynf h GLU 157 N 0.00 0.00 0.00 3.49 5.08 -1.99 -3.35 114.58 117.82 1ynf h GLU 157 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1ynf h GLU 157 Cb 0.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1ynf h GLU 157 CO 0.00 0.00 -1.48 1.63 -1.00 0.00 0.00 179.01 178.16 1ynf n LYS 158 N -2.85 2.52 -4.65 2.33 5.02 -0.74 -4.91 118.16 114.88 1ynf n LYS 158 Ca 0.04 -0.01 -0.25 0.00 -2.02 0.00 0.00 58.31 56.08 1ynf n LYS 158 Cb 0.49 -1.19 -0.14 0.00 -0.02 0.00 0.00 35.03 34.17 1ynf n LYS 158 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1ynf s PHE 159 N -2.22 1.68 -0.24 2.13 0.40 0.13 -1.21 117.98 118.65 1ynf s PHE 159 Ca -0.04 -0.36 -0.01 0.00 -0.60 0.00 0.00 56.93 55.93 1ynf s PHE 159 Cb 0.02 -1.02 0.07 0.00 0.51 0.00 0.00 43.02 42.61 1ynf s PHE 159 CO 0.30 0.06 0.02 -1.12 0.70 0.00 0.00 175.22 175.17 1ynf s SER 160 N -1.00 3.57 -0.23 1.36 0.01 0.70 -4.28 113.70 113.83 1ynf s SER 160 Ca 0.06 -1.18 -0.14 0.00 1.31 0.00 0.00 55.95 56.01 1ynf s SER 160 Cb -0.08 -0.91 -0.04 0.00 0.21 0.00 0.00 66.02 65.20 1ynf s SER 160 CO 0.01 -0.31 0.31 -0.69 0.41 0.00 0.00 173.24 172.97 1ynf s VAL 161 N 1.60 5.25 -0.04 3.43 1.01 -1.26 -1.17 120.40 129.22 1ynf s VAL 161 Ca -0.00 0.49 -0.00 0.00 0.00 0.00 0.00 61.98 62.47 1ynf s VAL 161 Cb -0.18 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1ynf s VAL 161 CO -0.11 0.26 0.00 -1.00 0.00 0.00 0.00 175.10 174.26 1ynf s HIS 162 N 1.40 3.12 0.73 5.22 3.76 0.55 -4.98 115.29 125.09 1ynf s HIS 162 Ca 0.14 0.13 -0.14 0.00 -0.15 0.00 0.00 55.06 55.05 1ynf s HIS 162 Cb -0.15 -1.72 0.04 0.00 1.11 0.00 0.00 32.58 31.86 1ynf s HIS 162 CO 0.07 0.46 1.14 -1.12 -0.85 0.00 0.00 174.74 174.44 1ynf s SER 163 N -1.25 4.48 0.73 1.40 0.01 -1.26 -1.90 113.70 115.91 1ynf s SER 163 Ca 0.17 2.09 -0.15 0.00 1.31 0.00 0.00 55.95 59.37 1ynf s SER 163 Cb -0.11 -2.56 0.04 0.00 0.21 0.00 0.00 66.02 63.60 1ynf s SER 163 CO 0.07 -2.05 1.19 0.00 0.41 0.00 0.00 173.24 172.86 1ynf s ALA 164 N -2.39 2.14 0.85 1.44 0.00 -1.25 -4.54 121.76 118.02 1ynf s ALA 164 Ca 0.68 0.83 -0.11 0.00 0.00 0.00 0.00 51.96 53.36 1ynf s ALA 164 Cb -0.22 -3.45 0.10 0.00 0.00 0.00 0.00 23.12 19.55 1ynf s ALA 164 CO 0.47 -1.84 1.10 -0.51 0.00 0.00 0.00 175.76 174.98 1ynf s LEU 165 N -5.17 2.72 0.37 0.00 1.43 -1.26 -4.92 118.68 111.84 1ynf s LEU 165 Ca 0.73 1.82 -0.25 0.00 -1.03 0.00 0.00 54.13 55.40 1ynf s LEU 165 Cb -0.28 -4.35 -0.12 0.00 0.03 0.00 0.00 46.19 41.47 1ynf s LEU 165 CO 0.45 -2.51 0.87 -2.65 0.23 0.00 0.00 176.35 172.74 1ynf n PRO 166 N -3.83 1.09 -2.68 1.29 -0.02 -1.26 -4.69 135.00 124.90 1ynf n PRO 166 Ca 0.09 0.39 -0.43 0.00 -2.02 0.00 0.00 63.50 61.53 1ynf n PRO 166 Cb 0.53 -1.79 -0.00 0.00 -0.02 0.00 0.00 33.50 32.22 1ynf n PRO 166 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1ynf s GLN 167 N -1.71 3.96 -0.00 -0.52 -1.52 -1.26 -4.72 119.66 113.90 1ynf s GLN 167 Ca 0.62 -2.05 -0.08 0.00 -1.95 0.00 0.00 55.36 51.90 1ynf s GLN 167 Cb -0.63 -5.39 0.00 0.00 -0.22 0.00 0.00 33.01 26.77 1ynf s GLN 167 CO 0.58 -2.12 0.15 0.14 -0.25 0.00 0.00 175.29 173.79 1ynf s VAL 168 N 3.62 0.08 0.49 1.09 -7.23 -1.26 -5.04 120.40 112.15 1ynf s VAL 168 Ca 0.50 -0.65 0.20 0.00 -1.81 0.00 0.00 61.98 60.22 1ynf s VAL 168 Cb 0.02 -0.44 0.35 0.00 0.56 0.00 0.00 36.38 36.87 1ynf s VAL 168 CO 0.04 -0.36 2.01 0.00 -0.31 0.00 0.00 175.10 176.48 1ynf h ALA 169 N 4.29 2.25 0.00 1.32 0.00 -1.93 -0.60 119.26 124.59 1ynf h ALA 169 Ca -0.31 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1ynf h ALA 169 Cb 1.19 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1ynf h ALA 169 CO 0.40 -0.38 -0.04 1.25 0.00 0.00 0.00 179.25 180.49 1ynf h LEU 170 N 0.15 0.00 -3.44 0.00 5.85 -1.96 -2.74 115.31 113.17 1ynf h LEU 170 Ca 0.23 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.64 1ynf h LEU 170 Cb 0.71 0.00 -0.23 0.00 0.37 0.00 0.00 40.66 41.51 1ynf h LEU 170 CO -0.03 0.04 -0.52 0.18 -0.34 0.00 0.00 178.44 177.77 1ynf n LEU 171 N -4.27 4.17 -4.68 2.25 4.77 -0.24 -4.40 117.00 114.59 1ynf n LEU 171 Ca -0.03 -4.29 -0.45 0.00 -0.03 0.00 0.00 56.01 51.21 1ynf n LEU 171 Cb 0.12 -0.48 -0.04 0.00 -2.33 0.00 0.00 43.42 40.69 1ynf n LEU 171 CO 0.32 1.71 1.44 0.61 -1.33 0.00 0.00 177.39 180.14 1ynf n GLY 172 N -0.93 1.53 2.91 -0.72 0.00 -1.04 -4.73 105.19 102.22 1ynf n GLY 172 Ca 0.35 0.75 -0.23 0.00 0.00 0.00 0.00 46.02 46.89 1ynf n GLY 172 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ynf s ASP 173 N 2.86 1.54 -0.03 1.61 2.15 -1.24 -2.05 116.67 121.52 1ynf s ASP 173 Ca 0.85 -0.21 0.11 0.00 0.43 0.00 0.00 52.55 53.73 1ynf s ASP 173 Cb -0.57 -0.64 0.32 0.00 -0.30 0.00 0.00 42.92 41.72 1ynf s ASP 173 CO 0.42 -0.06 1.26 -0.62 -0.17 0.00 0.00 175.17 175.99 1ynf n GLU 174 N 4.34 2.87 0.00 4.34 -0.58 -1.26 -1.07 120.64 129.29 1ynf n GLU 174 Ca -0.19 -2.14 0.00 0.00 -0.42 0.00 0.00 57.16 54.41 1ynf n GLU 174 Cb 0.51 -1.34 0.00 0.00 -0.57 0.00 0.00 31.44 30.04 1ynf n GLU 174 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ynf n GLY 175 N 0.25 0.45 0.47 0.62 0.00 -1.26 -3.89 105.19 101.83 1ynf n GLY 175 Ca 0.12 -0.81 0.29 0.00 0.00 0.00 0.00 46.02 45.63 1ynf n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ynf h ALA 176 N -0.60 2.87 -0.18 4.61 0.00 -0.27 -1.18 119.26 124.51 1ynf h ALA 176 Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1ynf h ALA 176 Cb 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1ynf h ALA 176 CO 0.00 -1.14 0.40 0.00 0.00 0.00 0.00 179.25 178.52 1ynf h ALA 177 N 1.53 1.68 -0.22 0.00 0.00 -1.21 0.48 119.26 121.54 1ynf h ALA 177 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1ynf h ALA 177 Cb 1.77 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1ynf h ALA 177 CO -0.01 -0.49 0.00 0.09 0.00 0.00 0.00 179.25 178.84 1ynf n ASN 178 N -3.22 2.88 -4.80 0.00 3.02 -0.44 -1.57 115.26 111.12 1ynf n ASN 178 Ca 0.02 -2.33 -0.23 0.00 -0.03 0.00 0.00 54.58 52.00 1ynf n ASN 178 Cb 0.50 -0.27 -0.05 0.00 -0.61 0.00 0.00 39.78 39.35 1ynf n ASN 178 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1ynf s HIS 179 N -1.59 3.08 0.02 3.10 2.46 0.17 -1.09 115.29 121.44 1ynf s HIS 179 Ca 0.23 -0.09 -0.16 0.00 0.47 0.00 0.00 55.06 55.51 1ynf s HIS 179 Cb 0.16 -1.42 0.03 0.00 -0.13 0.00 0.00 32.58 31.22 1ynf s HIS 179 CO 0.09 0.53 0.35 -0.80 -2.47 0.00 0.00 174.74 172.44 1ynf s ASN 180 N -3.58 -0.21 -0.10 9.88 0.01 -0.57 -4.93 114.94 115.44 1ynf s ASN 180 Ca 0.32 0.00 -0.03 0.00 -0.71 0.00 0.00 52.86 52.44 1ynf s ASN 180 Cb -0.08 0.36 0.05 0.00 0.41 0.00 0.00 41.25 41.99 1ynf s ASN 180 CO 0.24 -0.56 0.14 -0.60 -1.51 0.00 0.00 177.10 174.80 1ynf s ARG 181 N -2.00 0.03 0.06 -0.60 3.52 -1.26 -1.19 118.95 117.52 1ynf s ARG 181 Ca -0.09 0.38 0.08 0.00 -0.13 0.00 0.00 55.73 55.97 1ynf s ARG 181 Cb -0.02 -0.68 -0.03 0.00 -1.56 0.00 0.00 34.95 32.65 1ynf s ARG 181 CO 0.01 -0.41 -0.19 -0.51 -0.81 0.00 0.00 175.30 173.39 1ynf s LEU 182 N 2.25 2.60 0.00 -0.88 1.43 -1.26 -4.12 118.68 118.70 1ynf s LEU 182 Ca 0.04 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 1ynf s LEU 182 Cb -0.13 -1.51 0.00 0.00 0.03 0.00 0.00 46.19 44.58 1ynf s LEU 182 CO -0.06 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.36 1ynf n GLY 183 N 1.38 -1.61 0.00 -3.19 0.00 0.11 -4.57 105.19 97.31 1ynf n GLY 183 Ca -0.16 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1ynf n GLY 183 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ynf n GLY 184 N -0.17 0.50 3.78 -0.02 0.00 -1.26 -2.39 105.19 105.63 1ynf n GLY 184 Ca 0.00 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 1ynf n GLY 184 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ynf s HIS 185 N 0.00 3.25 0.27 1.61 3.76 -1.26 -4.62 115.29 118.30 1ynf s HIS 185 Ca 0.00 1.64 -0.01 0.00 -0.15 0.00 0.00 55.06 56.54 1ynf s HIS 185 Cb 0.00 -3.11 0.58 0.00 1.11 0.00 0.00 32.58 31.16 1ynf s HIS 185 CO 0.00 -0.61 1.68 1.88 -0.85 0.00 0.00 174.74 176.84 1ynf h TYR 186 N 2.41 0.38 0.00 1.40 0.99 -1.91 -1.01 116.97 119.23 1ynf h TYR 186 Ca -0.48 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.29 1ynf h TYR 186 Cb 1.21 -0.04 0.00 0.00 1.00 0.00 0.00 36.73 38.90 1ynf h TYR 186 CO 0.58 -0.10 0.00 0.41 -0.00 0.00 0.00 178.16 179.05 1ynf n GLY 187 N -1.36 -1.13 3.89 3.88 0.00 -1.26 -4.77 105.19 104.45 1ynf n GLY 187 Ca 0.18 0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 1ynf n GLY 187 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ynf s GLU 188 N -3.19 3.68 0.10 1.61 2.02 -0.39 -4.71 118.70 117.83 1ynf s GLU 188 Ca 0.05 0.30 -0.35 0.00 0.02 0.00 0.00 54.97 54.99 1ynf s GLU 188 Cb 0.09 -2.43 -0.14 0.00 0.10 0.00 0.00 34.13 31.75 1ynf s GLU 188 CO 0.32 -0.04 1.58 -2.30 0.02 0.00 0.00 175.26 174.85 1ynf n PRO 189 N -1.54 1.97 0.00 0.39 -0.02 -1.26 -4.89 135.00 129.66 1ynf n PRO 189 Ca 0.01 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1ynf n PRO 189 Cb 0.54 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1ynf n PRO 189 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ynf n GLY 190 N 3.42 1.36 3.64 -1.23 0.00 -1.26 -4.76 105.19 106.36 1ynf n GLY 190 Ca 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 1ynf n GLY 190 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ynf s GLN 192 N 3.09 0.62 -0.26 1.61 -0.21 0.55 -4.80 119.66 120.26 1ynf s GLN 192 Ca 0.00 0.99 0.01 0.00 0.02 0.00 0.00 55.36 56.38 1ynf s GLN 192 Cb 0.00 0.16 0.04 0.00 1.00 0.00 0.00 33.01 34.22 1ynf s GLN 192 CO 0.00 -0.12 -0.08 -1.17 -2.12 0.00 0.00 175.29 171.80 1ynf s LEU 193 N 1.29 3.33 -0.26 2.90 2.96 -0.33 -0.46 118.68 128.10 1ynf s LEU 193 Ca -0.07 -1.16 -0.12 0.00 -0.22 0.00 0.00 54.13 52.56 1ynf s LEU 193 Cb -0.05 -1.60 -0.05 0.00 0.50 0.00 0.00 46.19 44.99 1ynf s LEU 193 CO -0.15 -0.17 0.23 -0.36 -1.32 0.00 0.00 176.35 174.58 1ynf s PHE 194 N 1.21 3.26 -0.17 5.38 0.40 0.40 -1.51 117.98 126.95 1ynf s PHE 194 Ca -0.04 0.23 -0.06 0.00 -0.60 0.00 0.00 56.93 56.45 1ynf s PHE 194 Cb -0.18 -2.39 -0.04 0.00 0.51 0.00 0.00 43.02 40.92 1ynf s PHE 194 CO -0.05 -0.11 0.03 0.08 0.70 0.00 0.00 175.22 175.87 1ynf s VAL 195 N 1.61 4.50 0.25 -0.44 1.01 -0.25 -0.80 120.40 126.29 1ynf s VAL 195 Ca 0.09 -0.14 0.06 0.00 0.00 0.00 0.00 61.98 61.99 1ynf s VAL 195 Cb -0.15 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 1ynf s VAL 195 CO 0.09 0.48 -0.06 -0.72 0.00 0.00 0.00 175.10 174.89 1ynf s TYR 196 N 0.26 1.80 -0.07 5.22 -0.85 -0.79 -4.81 117.35 118.12 1ynf s TYR 196 Ca 0.02 -0.72 0.17 0.00 -0.52 0.00 0.00 57.07 56.01 1ynf s TYR 196 Cb -0.13 -0.99 -0.25 0.00 0.38 0.00 0.00 41.96 40.97 1ynf s TYR 196 CO 0.01 0.22 0.29 0.41 -1.52 0.00 0.00 175.55 174.96 1ynf n GLY 197 N -0.50 -0.81 3.32 5.49 0.00 0.00 -0.24 105.19 112.45 1ynf n GLY 197 Ca -0.06 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.48 1ynf n GLY 197 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ynf s ARG 198 N -2.98 1.08 -0.03 1.61 1.70 -0.96 -4.46 118.95 114.91 1ynf s ARG 198 Ca -0.07 -0.69 -0.16 0.00 -0.47 0.00 0.00 55.73 54.34 1ynf s ARG 198 Cb 0.09 0.47 0.03 0.00 -0.57 0.00 0.00 34.95 34.98 1ynf s ARG 198 CO 0.72 -0.42 0.35 -1.83 -1.08 0.00 0.00 175.30 173.04 1ynf s GLU 199 N -3.77 0.68 0.32 3.89 -1.05 -1.26 -0.58 118.70 116.92 1ynf s GLU 199 Ca 0.03 -0.06 -0.29 0.00 -0.15 0.00 0.00 54.97 54.50 1ynf s GLU 199 Cb 0.02 0.31 -0.11 0.00 -0.44 0.00 0.00 34.13 33.91 1ynf s GLU 199 CO -0.12 -0.18 1.42 -1.21 0.95 0.00 0.00 175.26 176.12 1ynf s GLU 200 N -1.12 4.23 0.00 -4.83 0.41 -1.26 -2.37 118.70 113.76 1ynf s GLU 200 Ca -0.12 2.38 0.00 0.00 -0.41 0.00 0.00 54.97 56.83 1ynf s GLU 200 Cb -0.04 -3.05 0.00 0.00 -1.78 0.00 0.00 34.13 29.26 1ynf s GLU 200 CO 0.04 -0.40 0.00 0.41 -0.49 0.00 0.00 175.26 174.83 1ynf n GLY 201 N 1.20 3.04 3.55 -1.39 0.00 -1.26 -4.99 105.19 105.35 1ynf n GLY 201 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1ynf n GLY 201 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ynf s ASN 202 N -0.54 6.41 0.09 1.61 2.47 -1.00 -4.91 114.94 119.07 1ynf s ASN 202 Ca 0.00 -0.02 0.16 0.00 0.42 0.00 0.00 52.86 53.42 1ynf s ASN 202 Cb 0.00 -2.35 0.70 0.00 -1.45 0.00 0.00 41.25 38.14 1ynf s ASN 202 CO 0.00 -0.76 1.51 -0.90 -3.72 0.00 0.00 177.10 173.23 1ynf n ASP 203 N 6.36 0.21 -4.56 -4.21 5.68 -1.26 -4.56 116.55 114.22 1ynf n ASP 203 Ca 0.00 0.56 -0.43 0.00 -0.50 0.00 0.00 54.79 54.42 1ynf n ASP 203 Cb 0.48 -0.60 -0.04 0.00 -1.14 0.00 0.00 41.12 39.83 1ynf n ASP 203 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1ynf s THR 204 N -3.11 4.33 0.03 2.12 2.01 -1.26 -4.97 115.64 114.78 1ynf s THR 204 Ca 0.05 0.67 -0.28 0.00 0.31 0.00 0.00 61.69 62.45 1ynf s THR 204 Cb 0.09 -4.55 0.10 0.00 0.01 0.00 0.00 72.50 68.15 1ynf s THR 204 CO 0.28 -1.05 0.82 0.00 -0.69 0.00 0.00 174.62 173.98 1ynf s ARG 205 N 4.13 0.92 0.50 4.92 1.70 -1.26 -4.76 118.95 125.10 1ynf s ARG 205 Ca 0.37 -0.31 -0.21 0.00 -0.47 0.00 0.00 55.73 55.11 1ynf s ARG 205 Cb -0.10 0.42 -0.09 0.00 -0.57 0.00 0.00 34.95 34.61 1ynf s ARG 205 CO 0.24 -0.40 0.75 -2.30 -1.08 0.00 0.00 175.30 172.52 1ynf n PRO 206 N -0.22 0.83 0.00 3.89 -0.02 -1.26 -4.94 135.00 133.29 1ynf n PRO 206 Ca -0.11 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1ynf n PRO 206 Cb 0.62 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 1ynf n PRO 206 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1ynf n SER 207 N 0.42 1.11 0.00 2.55 3.41 -1.26 -4.77 113.62 115.07 1ynf n SER 207 Ca 0.11 -1.27 0.00 0.00 -0.26 0.00 0.00 58.87 57.46 1ynf n SER 207 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1ynf n SER 207 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1ynf n ARG 208 N -0.13 1.22 -3.87 4.33 0.63 -1.26 -4.98 116.66 112.60 1ynf n ARG 208 Ca 0.00 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.63 1ynf n ARG 208 Cb 0.12 -0.80 -0.15 0.00 0.45 0.00 0.00 32.46 32.08 1ynf n ARG 208 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1ynf s TYR 209 N -1.60 2.64 0.37 -0.14 4.12 -1.26 -5.07 117.35 116.41 1ynf s TYR 209 Ca 0.00 -2.28 -0.24 0.00 0.02 0.00 0.00 57.07 54.56 1ynf s TYR 209 Cb 0.00 -2.23 -0.13 0.00 -1.52 0.00 0.00 41.96 38.08 1ynf s TYR 209 CO 0.00 -0.90 0.70 -2.30 0.02 0.00 0.00 175.55 173.07 1ynf n PRO 210 N 4.58 0.77 -2.55 -1.71 -0.02 -1.26 -4.71 135.00 130.09 1ynf n PRO 210 Ca -0.00 0.27 -0.43 0.00 -2.02 0.00 0.00 63.50 61.33 1ynf n PRO 210 Cb 0.42 -1.59 -0.02 0.00 -0.02 0.00 0.00 33.50 32.29 1ynf n PRO 210 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ynf s ALA 211 N -1.31 3.59 -0.13 3.55 0.00 -1.26 -4.93 121.76 121.27 1ynf s ALA 211 Ca 0.62 0.39 0.19 0.00 0.00 0.00 0.00 51.96 53.16 1ynf s ALA 211 Cb -0.66 -3.54 0.33 0.00 0.00 0.00 0.00 23.12 19.25 1ynf s ALA 211 CO 0.58 -0.95 1.57 0.00 0.00 0.00 0.00 175.76 176.97 1ynf h ARG 212 N 7.62 0.00 -5.21 0.00 3.08 -1.90 -3.44 114.38 114.53 1ynf h ARG 212 Ca -0.27 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.15 1ynf h ARG 212 Cb 1.11 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 30.95 1ynf h ARG 212 CO 0.93 0.34 -0.65 -1.14 -1.07 0.00 0.00 179.97 178.39 1ynf s GLN 213 N -3.18 3.69 0.12 0.04 2.00 -1.26 -3.64 119.66 117.43 1ynf s GLN 213 Ca 0.04 -0.49 0.06 0.00 -2.00 0.00 0.00 55.36 52.97 1ynf s GLN 213 Cb 0.08 -3.04 -0.04 0.00 0.80 0.00 0.00 33.01 30.80 1ynf s GLN 213 CO 0.70 0.13 -0.02 0.95 -0.50 0.00 0.00 175.29 176.55 1ynf s THR 214 N 0.68 3.77 0.29 -0.34 -4.23 -0.87 -0.82 115.64 114.13 1ynf s THR 214 Ca -0.00 -1.19 -0.01 0.00 -1.18 0.00 0.00 61.69 59.30 1ynf s THR 214 Cb -0.14 -2.82 0.18 0.00 1.34 0.00 0.00 72.50 71.06 1ynf s THR 214 CO 0.02 0.04 1.87 -0.09 -0.54 0.00 0.00 174.62 175.92 1ynf h ARG 215 N 3.23 0.88 -0.94 3.99 2.43 -1.18 -2.15 114.38 120.64 1ynf h ARG 215 Ca -0.48 -0.14 0.09 0.00 -0.81 0.00 0.00 59.98 58.64 1ynf h ARG 215 Cb 1.18 -0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 30.50 1ynf h ARG 215 CO 0.57 0.73 0.59 0.93 -1.51 0.00 0.00 179.97 181.28 1ynf h GLU 216 N 0.87 0.98 -0.16 0.20 3.07 -1.82 0.20 114.58 117.91 1ynf h GLU 216 Ca 0.20 -0.06 -0.05 0.00 -0.50 0.00 0.00 59.36 58.96 1ynf h GLU 216 Cb 0.18 -0.22 -0.00 0.00 -0.84 0.00 0.00 28.75 27.87 1ynf h GLU 216 CO -0.02 0.65 -0.08 0.00 -1.40 0.00 0.00 179.01 178.16 1ynf h ALA 217 N 1.47 0.23 -0.57 3.43 0.00 -1.62 -2.48 119.26 119.73 1ynf h ALA 217 Ca 0.44 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1ynf h ALA 217 Cb 0.31 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1ynf h ALA 217 CO -0.22 0.04 0.28 0.77 0.00 0.00 0.00 179.25 180.12 1ynf h SER 218 N 0.01 0.39 -0.28 0.00 0.02 -0.83 -0.65 113.55 112.21 1ynf h SER 218 Ca 0.04 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 60.97 1ynf h SER 218 Cb 0.55 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 1ynf h SER 218 CO 0.02 0.26 0.03 -0.33 -1.14 0.00 0.00 176.83 175.67 1ynf h GLU 219 N 0.53 0.58 -0.35 3.45 5.08 -0.98 -1.07 114.58 121.82 1ynf h GLU 219 Ca 0.26 -0.12 -0.15 0.00 -1.00 0.00 0.00 59.36 58.35 1ynf h GLU 219 Cb 0.19 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1ynf h GLU 219 CO -0.19 0.58 -0.38 0.00 -1.00 0.00 0.00 179.01 178.02 1ynf h ALA 220 N 1.48 0.52 -0.55 3.43 0.00 -0.82 -2.13 119.26 121.18 1ynf h ALA 220 Ca 0.12 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 1ynf h ALA 220 Cb 0.31 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1ynf h ALA 220 CO 0.01 0.61 -0.04 0.28 0.00 0.00 0.00 179.25 180.11 1ynf h VAL 221 N 0.67 1.26 -0.94 0.00 2.07 -0.87 0.22 116.25 118.68 1ynf h VAL 221 Ca 0.05 -1.16 0.05 0.00 0.82 0.00 0.00 66.70 66.46 1ynf h VAL 221 Cb 0.97 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 31.56 1ynf h VAL 221 CO 0.09 0.42 0.60 0.00 0.02 0.00 0.00 177.57 178.70 1ynf h ALA 222 N 1.05 1.27 0.00 1.67 0.00 -1.02 0.11 119.26 122.34 1ynf h ALA 222 Ca 0.15 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ynf h ALA 222 Cb 0.58 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ynf h ALA 222 CO 0.03 0.41 -0.00 0.00 0.00 0.00 0.00 179.25 179.70 1ynf h ARG 223 N 1.12 -0.00 -1.00 0.00 3.08 -0.88 -2.45 114.38 114.25 1ynf h ARG 223 Ca 0.39 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.53 1ynf h ARG 223 Cb 0.10 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.08 1ynf h ARG 223 CO -0.15 0.38 0.64 -0.07 -1.07 0.00 0.00 179.97 179.70 1ynf h LEU 224 N -0.39 0.98 -0.20 3.04 3.38 -0.46 -1.23 115.31 120.44 1ynf h LEU 224 Ca -0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1ynf h LEU 224 Cb 0.39 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1ynf h LEU 224 CO 0.00 0.59 0.00 0.59 0.09 0.00 0.00 178.44 179.71 1ynf n ASN 225 N -4.55 0.29 -4.03 -0.43 3.02 0.33 -4.89 115.26 105.00 1ynf n ASN 225 Ca 0.17 -1.97 -0.31 0.00 -0.03 0.00 0.00 54.58 52.44 1ynf n ASN 225 Cb 0.26 -0.04 -0.01 0.00 -0.61 0.00 0.00 39.78 39.39 1ynf n ASN 225 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ynf n GLN 226 N -0.35 -3.95 -2.60 3.52 1.13 -0.46 -4.75 117.38 109.91 1ynf n GLN 226 Ca 0.02 0.46 -0.42 0.00 -1.94 0.00 0.00 57.00 55.13 1ynf n GLN 226 Cb 0.05 -5.05 -0.03 0.00 0.11 0.00 0.00 30.24 25.31 1ynf n GLN 226 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1ynf s VAL 227 N -3.51 4.40 0.09 5.09 1.01 -0.93 -1.52 120.40 125.04 1ynf s VAL 227 Ca 0.46 1.83 -0.31 0.00 0.00 0.00 0.00 61.98 63.96 1ynf s VAL 227 Cb -0.25 -4.17 -0.10 0.00 0.00 0.00 0.00 36.38 31.86 1ynf s VAL 227 CO 0.88 0.20 1.88 -3.20 0.00 0.00 0.00 175.10 174.86 1ynf n ASN 228 N 3.42 4.07 -0.32 3.32 5.15 -1.06 -4.84 115.26 125.00 1ynf n ASN 228 Ca 0.05 0.96 0.33 0.00 -0.60 0.00 0.00 54.58 55.33 1ynf n ASN 228 Cb 0.49 -1.54 0.71 0.00 -0.53 0.00 0.00 39.78 38.91 1ynf n ASN 228 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1ynf h PRO 229 N 9.15 0.07 -0.00 1.20 0.11 -1.94 0.28 132.00 140.87 1ynf h PRO 229 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ynf h PRO 229 Cb 1.23 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1ynf h PRO 229 CO 0.95 0.05 -0.17 1.04 -0.21 0.00 0.00 178.00 179.66 1ynf n GLN 230 N -4.27 0.15 -0.82 1.05 6.02 -1.26 -3.64 117.38 114.61 1ynf n GLN 230 Ca 0.25 -0.04 -0.05 0.00 -0.01 0.00 0.00 57.00 57.15 1ynf n GLN 230 Cb 1.18 -1.50 0.22 0.00 1.02 0.00 0.00 30.24 31.16 1ynf n GLN 230 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1ynf n GLN 231 N -1.39 2.38 -3.95 -1.09 6.02 0.99 -4.97 117.38 115.38 1ynf n GLN 231 Ca 0.08 -3.07 -0.13 0.00 -0.01 0.00 0.00 57.00 53.88 1ynf n GLN 231 Cb 0.32 -1.93 -0.14 0.00 1.02 0.00 0.00 30.24 29.51 1ynf n GLN 231 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1ynf s VAL 232 N -3.13 0.12 -0.03 5.09 0.11 -1.23 -0.33 120.40 121.00 1ynf s VAL 232 Ca 0.47 -0.16 0.01 0.00 -2.93 0.00 0.00 61.98 59.38 1ynf s VAL 232 Cb 0.41 -0.12 0.02 0.00 -1.53 0.00 0.00 36.38 35.16 1ynf s VAL 232 CO 0.05 -0.03 -0.02 -0.63 -3.33 0.00 0.00 175.10 171.15 1ynf s ILE 233 N -0.19 0.27 -0.20 7.04 1.01 0.39 -4.95 121.20 124.57 1ynf s ILE 233 Ca -0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 60.65 60.58 1ynf s ILE 233 Cb -0.02 -0.33 -0.03 0.00 0.01 0.00 0.00 42.46 42.10 1ynf s ILE 233 CO -0.00 0.15 0.01 -0.36 0.00 0.00 0.00 174.94 174.74 1ynf s PHE 234 N 0.77 3.07 -0.00 3.97 0.40 -1.26 -0.46 117.98 124.47 1ynf s PHE 234 Ca -0.08 -0.38 0.05 0.00 -0.60 0.00 0.00 56.93 55.91 1ynf s PHE 234 Cb -0.11 -2.09 -0.01 0.00 0.51 0.00 0.00 43.02 41.31 1ynf s PHE 234 CO -0.01 -0.20 -0.15 0.00 0.70 0.00 0.00 175.22 175.56 1ynf s ALA 235 N 0.96 1.26 0.03 5.36 0.00 0.02 -4.97 121.76 124.42 1ynf s ALA 235 Ca 0.02 -0.69 -0.21 0.00 0.00 0.00 0.00 51.96 51.08 1ynf s ALA 235 Cb -0.14 -0.30 -0.06 0.00 0.00 0.00 0.00 23.12 22.62 1ynf s ALA 235 CO 0.02 0.30 0.61 -1.14 0.00 0.00 0.00 175.76 175.55 1ynf s GLN 236 N -0.52 4.31 0.54 0.00 0.74 -1.26 -1.89 119.66 121.58 1ynf s GLN 236 Ca 0.05 0.78 -0.19 0.00 0.05 0.00 0.00 55.36 56.05 1ynf s GLN 236 Cb -0.06 -3.31 -0.06 0.00 1.10 0.00 0.00 33.01 30.67 1ynf s GLN 236 CO -0.00 0.44 1.11 -1.14 -0.55 0.00 0.00 175.29 175.15 1ynf s GLN 237 N -0.46 3.42 -0.06 1.67 2.00 0.67 -1.77 119.66 125.13 1ynf s GLN 237 Ca 0.31 1.56 -0.30 0.00 -2.00 0.00 0.00 55.36 54.93 1ynf s GLN 237 Cb -0.19 -2.02 -0.06 0.00 0.80 0.00 0.00 33.01 31.54 1ynf s GLN 237 CO 0.19 -0.78 1.70 1.21 -0.50 0.00 0.00 175.29 177.10 1ynf s ASN 238 N -1.84 6.60 0.52 6.67 2.47 -0.53 -4.28 114.94 124.55 1ynf s ASN 238 Ca 0.72 2.24 0.18 0.00 0.42 0.00 0.00 52.86 56.42 1ynf s ASN 238 Cb -0.22 -2.53 1.30 0.00 -1.45 0.00 0.00 41.25 38.35 1ynf s ASN 238 CO 0.26 -0.98 2.13 1.55 -3.72 0.00 0.00 177.10 176.34 1ynf h PRO 239 N 9.82 0.00 0.00 0.43 0.13 -1.91 -2.21 132.00 138.26 1ynf h PRO 239 Ca -0.40 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.62 1ynf h PRO 239 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1ynf h PRO 239 CO 0.96 0.00 -0.54 -0.44 -0.23 0.00 0.00 178.00 177.75 1ynf h ASP 240 N 0.00 0.00 0.68 1.44 3.32 -1.93 -2.60 116.42 117.33 1ynf h ASP 240 Ca 0.04 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.89 1ynf h ASP 240 Cb 0.16 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1ynf h ASP 240 CO -0.00 0.54 -0.89 1.62 -1.72 0.00 0.00 179.24 178.79 1ynf h VAL 241 N 0.00 1.54 -0.39 -1.35 3.04 -1.67 -3.15 116.25 114.27 1ynf h VAL 241 Ca -0.01 -2.75 -0.06 0.00 -1.01 0.00 0.00 66.70 62.88 1ynf h VAL 241 Cb 1.00 2.53 -0.01 0.00 -2.01 0.00 0.00 31.29 32.79 1ynf h VAL 241 CO 0.07 0.80 0.03 0.40 -1.01 0.00 0.00 177.57 177.85 1ynf h ILE 242 N 0.07 1.25 0.00 3.17 2.04 -1.35 -1.78 117.51 120.91 1ynf h ILE 242 Ca -0.04 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 64.88 1ynf h ILE 242 Cb 1.53 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 1ynf h ILE 242 CO 0.13 0.32 0.00 0.47 0.00 0.00 0.00 178.15 179.07 1ynf n ASP 243 N -4.49 0.06 -0.92 1.72 8.00 -1.00 -1.73 116.55 118.19 1ynf n ASP 243 Ca -0.01 0.52 0.11 0.00 0.71 0.00 0.00 54.79 56.12 1ynf n ASP 243 Cb 0.26 -0.53 0.12 0.00 -0.02 0.00 0.00 41.12 40.95 1ynf n ASP 243 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ynf n GLN 244 N -1.57 2.10 0.00 -1.24 6.02 -0.71 -4.80 117.38 117.18 1ynf n GLN 244 Ca 0.02 -1.89 0.00 0.00 -0.01 0.00 0.00 57.00 55.11 1ynf n GLN 244 Cb 0.09 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 29.92 1ynf n GLN 244 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ynf n GLY 245 N 1.25 0.96 3.49 1.08 0.00 -0.71 -4.91 105.19 106.35 1ynf n GLY 245 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1ynf n GLY 245 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ynf s VAL 246 N -1.58 4.62 -1.01 1.61 1.01 -0.96 -4.80 120.40 119.29 1ynf s VAL 246 Ca 0.00 -1.89 0.28 0.00 0.00 0.00 0.00 61.98 60.37 1ynf s VAL 246 Cb 0.00 -4.94 0.21 0.00 0.00 0.00 0.00 36.38 31.65 1ynf s VAL 246 CO 0.00 -1.70 1.86 2.22 0.00 0.00 0.00 175.10 177.48 1ynf n PHE 247 N 6.88 0.00 -3.87 5.22 -1.74 -1.26 -4.16 117.46 118.53 1ynf n PHE 247 Ca 0.34 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 57.12 1ynf n PHE 247 Cb 0.47 -0.46 -0.09 0.00 1.52 0.00 0.00 39.48 40.92 1ynf n PHE 247 CO 0.00 0.00 0.00 -1.01 -0.56 0.00 0.00 176.76 175.19 1ynf s HIS 248 N -2.99 0.08 0.49 2.97 3.76 -1.26 -4.69 115.29 113.65 1ynf s HIS 248 Ca 0.14 -0.26 0.15 0.00 -0.15 0.00 0.00 55.06 54.93 1ynf s HIS 248 Cb 0.19 -0.06 1.17 0.00 1.11 0.00 0.00 32.58 34.99 1ynf s HIS 248 CO 0.55 -0.37 2.11 -0.97 -0.85 0.00 0.00 174.74 175.22 1ynf h ASN 249 N 3.78 0.06 0.00 1.40 -1.24 -1.87 -2.62 115.58 115.10 1ynf h ASN 249 Ca -0.32 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.69 1ynf h ASN 249 Cb 1.19 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 40.22 1ynf h ASN 249 CO 0.46 0.08 0.00 -0.90 -1.29 0.00 0.00 177.43 175.77 1ynf n ASP 250 N -4.50 0.48 -0.07 1.15 5.75 -0.61 -1.15 116.55 117.61 1ynf n ASP 250 Ca -0.02 -1.29 0.02 0.00 -0.01 0.00 0.00 54.79 53.49 1ynf n ASP 250 Cb 0.11 -0.24 -0.00 0.00 -1.03 0.00 0.00 41.12 39.96 1ynf n ASP 250 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1ynf n VAL 251 N 0.01 0.00 -0.22 2.12 0.31 -0.99 -3.02 118.33 116.54 1ynf n VAL 251 Ca 0.00 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 1ynf n VAL 251 Cb 0.12 1.04 0.00 0.00 -0.91 0.00 0.00 33.84 34.09 1ynf n VAL 251 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ynf n ILE 252 N -0.46 0.00 -3.56 2.52 0.13 -0.60 -4.39 119.36 113.00 1ynf n ILE 252 Ca 0.01 -0.11 -0.14 0.00 -1.10 0.00 0.00 62.75 61.41 1ynf n ILE 252 Cb 0.07 1.22 -0.06 0.00 -0.84 0.00 0.00 39.64 40.03 1ynf n ILE 252 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1ynf s ALA 253 N -0.16 -1.86 -0.10 1.51 0.00 -0.30 -2.01 121.76 118.83 1ynf s ALA 253 Ca 0.00 1.50 -0.11 0.00 0.00 0.00 0.00 51.96 53.35 1ynf s ALA 253 Cb 0.00 -0.46 0.03 0.00 0.00 0.00 0.00 23.12 22.69 1ynf s ALA 253 CO 0.00 -0.33 0.31 0.54 0.00 0.00 0.00 175.76 176.28 1ynf s VAL 254 N -1.03 0.01 0.31 0.00 0.11 0.15 -4.00 120.40 115.94 1ynf s VAL 254 Ca -0.05 -0.07 0.10 0.00 -2.93 0.00 0.00 61.98 59.03 1ynf s VAL 254 Cb -0.01 -0.46 -0.05 0.00 -1.53 0.00 0.00 36.38 34.33 1ynf s VAL 254 CO 0.05 -0.04 -0.09 -0.94 -3.33 0.00 0.00 175.10 170.75 1ynf s SER 255 N -0.03 3.92 -0.30 3.54 1.04 -1.26 -0.64 113.70 119.97 1ynf s SER 255 Ca -0.02 -0.99 -0.15 0.00 0.48 0.00 0.00 55.95 55.27 1ynf s SER 255 Cb -0.03 -0.46 0.17 0.00 0.10 0.00 0.00 66.02 65.81 1ynf s SER 255 CO 0.01 -0.09 1.05 0.21 0.98 0.00 0.00 173.24 175.40 1ynf s ASN 256 N -3.61 -0.47 1.99 7.02 2.47 -0.23 -4.78 114.94 117.33 1ynf s ASN 256 Ca 0.32 0.57 0.00 0.00 0.42 0.00 0.00 52.86 54.17 1ynf s ASN 256 Cb -0.02 1.51 0.00 0.00 -1.45 0.00 0.00 41.25 41.28 1ynf s ASN 256 CO 0.17 -0.09 0.00 0.54 -3.72 0.00 0.00 177.10 174.00 1ynf n ARG 257 N 5.00 0.00 0.00 0.43 5.12 -1.26 -1.38 116.66 124.57 1ynf n ARG 257 Ca -0.08 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 55.97 1ynf n ARG 257 Cb 0.53 0.00 0.29 0.00 -1.16 0.00 0.00 32.46 32.12 1ynf n ARG 257 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ynf n GLN 258 N 11.74 1.63 -4.06 5.56 0.00 -1.01 0.07 117.38 131.31 1ynf n GLN 258 Ca 0.00 -1.16 -0.36 0.00 0.00 0.00 0.00 57.00 55.48 1ynf n GLN 258 Cb 0.00 -1.48 -0.07 0.00 0.00 0.00 0.00 30.24 28.69 1ynf n GLN 258 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1ynf s VAL 259 N -2.17 5.04 -0.30 -0.39 1.01 -0.48 -4.30 120.40 118.81 1ynf s VAL 259 Ca 0.29 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.31 1ynf s VAL 259 Cb 0.20 -3.18 0.09 0.00 0.00 0.00 0.00 36.38 33.49 1ynf s VAL 259 CO 0.40 0.61 0.05 -0.22 0.00 0.00 0.00 175.10 175.94 1ynf s LEU 260 N -0.91 2.97 -0.47 3.92 2.96 -1.26 -1.06 118.68 124.83 1ynf s LEU 260 Ca 0.14 -1.65 -0.22 0.00 -0.22 0.00 0.00 54.13 52.17 1ynf s LEU 260 Cb -0.12 -1.13 0.03 0.00 0.50 0.00 0.00 46.19 45.47 1ynf s LEU 260 CO 0.03 -0.36 0.75 0.12 -1.32 0.00 0.00 176.35 175.57 1ynf s PHE 261 N 1.38 2.99 0.12 5.38 5.36 0.18 -1.46 117.98 131.93 1ynf s PHE 261 Ca 0.06 0.01 -0.05 0.00 -0.96 0.00 0.00 56.93 55.99 1ynf s PHE 261 Cb -0.18 -3.62 -0.02 0.00 -0.34 0.00 0.00 43.02 38.86 1ynf s PHE 261 CO -0.16 -1.01 0.15 0.00 -1.46 0.00 0.00 175.22 172.74 1ynf s HIS 263 N -3.97 3.40 0.47 0.00 2.46 -0.85 -0.69 115.29 116.11 1ynf s HIS 263 Ca 0.16 1.30 0.22 0.00 0.47 0.00 0.00 55.06 57.21 1ynf s HIS 263 Cb 0.06 -2.62 1.35 0.00 -0.13 0.00 0.00 32.58 31.24 1ynf s HIS 263 CO -0.03 -0.08 2.09 -0.56 -2.47 0.00 0.00 174.74 173.69 1ynf h GLN 264 N 1.70 0.00 -0.65 2.88 3.07 -1.66 -2.15 115.11 118.30 1ynf h GLN 264 Ca -0.48 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.26 1ynf h GLN 264 Cb 1.18 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.74 1ynf h GLN 264 CO 0.63 0.11 0.00 1.04 0.09 0.00 0.00 178.83 180.70 1ynf n GLN 265 N -4.01 4.26 -0.00 0.06 6.02 -1.26 -4.60 117.38 117.85 1ynf n GLN 265 Ca -0.02 -2.63 -0.13 0.00 -0.01 0.00 0.00 57.00 54.21 1ynf n GLN 265 Cb 0.19 -2.14 -0.10 0.00 1.02 0.00 0.00 30.24 29.21 1ynf n GLN 265 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ynf h ALA 266 N 3.67 -0.03 -3.58 -1.58 0.00 -1.70 -3.42 119.26 112.63 1ynf h ALA 266 Ca 0.00 -0.23 -0.67 0.00 0.00 0.00 0.00 54.91 54.02 1ynf h ALA 266 Cb 1.74 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 19.38 1ynf h ALA 266 CO 0.41 -0.28 -0.76 -0.06 0.00 0.00 0.00 179.25 178.56 1ynf s PHE 267 N -4.33 2.67 0.12 0.00 0.40 -1.26 -1.46 117.98 114.12 1ynf s PHE 267 Ca -0.16 -0.20 -0.28 0.00 -0.60 0.00 0.00 56.93 55.69 1ynf s PHE 267 Cb 0.02 -1.39 -0.07 0.00 0.51 0.00 0.00 43.02 42.09 1ynf s PHE 267 CO 0.66 0.42 1.60 0.00 0.70 0.00 0.00 175.22 178.60 1ynf h ALA 268 N 3.60 -0.56 -1.62 5.36 0.00 -1.53 -2.96 119.26 121.54 1ynf h ALA 268 Ca -0.49 -0.03 -0.65 0.00 0.00 0.00 0.00 54.91 53.74 1ynf h ALA 268 Cb 1.17 0.64 -0.37 0.00 0.00 0.00 0.00 17.79 19.23 1ynf h ALA 268 CO 0.50 -0.89 -0.13 0.54 0.00 0.00 0.00 179.25 179.27 1ynf n ARG 269 N -5.43 3.54 -0.21 0.00 1.74 -1.26 -4.92 116.66 110.13 1ynf n ARG 269 Ca -0.05 -4.47 -0.07 0.00 -0.77 0.00 0.00 57.85 52.49 1ynf n ARG 269 Cb 0.35 -2.28 -0.02 0.00 -1.02 0.00 0.00 32.46 29.49 1ynf n ARG 269 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 1ynf h GLN 270 N 3.01 -0.19 -0.52 5.56 4.15 -1.89 -1.10 115.11 124.13 1ynf h GLN 270 Ca 0.33 0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.87 1ynf h GLN 270 Cb 0.55 0.04 -0.10 0.00 0.21 0.00 0.00 27.48 28.18 1ynf h GLN 270 CO 0.99 -0.13 -0.17 1.03 -1.93 0.00 0.00 178.83 178.62 1ynf h SER 271 N -0.20 -0.61 -0.58 -0.69 0.87 -1.91 0.04 113.55 110.47 1ynf h SER 271 Ca 0.20 0.17 -0.08 0.00 -1.23 0.00 0.00 61.79 60.85 1ynf h SER 271 Cb 0.56 0.37 -0.02 0.00 -0.44 0.00 0.00 62.40 62.87 1ynf h SER 271 CO -0.69 -0.21 0.06 -0.61 -0.53 0.00 0.00 176.83 174.86 1ynf h GLN 272 N -0.05 1.01 0.09 2.24 4.15 -1.78 -2.22 115.11 118.55 1ynf h GLN 272 Ca 0.25 -0.27 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 1ynf h GLN 272 Cb 0.43 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.00 1ynf h GLN 272 CO -0.56 0.95 -0.04 1.25 -1.93 0.00 0.00 178.83 178.50 1ynf h LEU 273 N 0.94 -0.10 -0.79 -2.39 5.85 -0.01 -1.64 115.31 117.17 1ynf h LEU 273 Ca 0.18 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1ynf h LEU 273 Cb 0.46 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 1ynf h LEU 273 CO 0.02 0.06 0.49 -0.07 -0.34 0.00 0.00 178.44 178.59 1ynf h LEU 274 N -0.25 0.93 -0.86 2.25 3.38 -1.00 -0.69 115.31 119.07 1ynf h LEU 274 Ca -0.01 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1ynf h LEU 274 Cb 0.21 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1ynf h LEU 274 CO 0.02 0.71 0.47 0.00 0.09 0.00 0.00 178.44 179.73 1ynf h ALA 275 N 1.26 1.11 -0.69 1.53 0.00 -1.32 0.15 119.26 121.30 1ynf h ALA 275 Ca 0.28 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1ynf h ALA 275 Cb -0.07 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.35 1ynf h ALA 275 CO -0.06 0.62 0.18 -0.97 0.00 0.00 0.00 179.25 179.02 1ynf h ASN 276 N 1.21 1.03 -0.63 0.00 -0.73 -0.63 -1.62 115.58 114.20 1ynf h ASN 276 Ca 0.30 -0.23 -0.08 0.00 1.87 0.00 0.00 56.30 58.16 1ynf h ASN 276 Cb 0.04 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.33 1ynf h ASN 276 CO -0.05 0.99 0.07 -0.07 -0.37 0.00 0.00 177.43 178.00 1ynf h LEU 277 N 1.02 1.04 -1.28 0.34 4.07 -0.57 -1.50 115.31 118.43 1ynf h LEU 277 Ca 0.22 -0.26 -0.00 0.00 0.08 0.00 0.00 57.88 57.91 1ynf h LEU 277 Cb 0.35 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.78 1ynf h LEU 277 CO 0.00 1.05 0.41 0.03 -1.08 0.00 0.00 178.44 178.84 1ynf h ARG 278 N 1.00 0.89 0.00 1.13 3.08 -0.51 0.57 114.38 120.55 1ynf h ARG 278 Ca 0.19 -0.07 -0.14 0.00 0.07 0.00 0.00 59.98 60.03 1ynf h ARG 278 Cb 0.47 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1ynf h ARG 278 CO 0.02 0.62 -0.66 0.00 -1.07 0.00 0.00 179.97 178.87 1ynf h ALA 279 N 1.54 0.79 0.00 0.04 0.00 -0.85 -3.35 119.26 117.43 1ynf h ALA 279 Ca 0.24 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1ynf h ALA 279 Cb -0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1ynf h ALA 279 CO -0.05 0.83 -1.75 0.54 0.00 0.00 0.00 179.25 178.83 1ynf n ARG 280 N -3.58 0.62 -3.97 0.00 1.74 -0.60 -4.89 116.66 105.96 1ynf n ARG 280 Ca -0.00 -0.15 -0.34 0.00 -0.77 0.00 0.00 57.85 56.58 1ynf n ARG 280 Cb 0.69 -1.44 -0.14 0.00 -1.02 0.00 0.00 32.46 30.54 1ynf n ARG 280 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ynf s VAL 281 N -3.26 2.78 0.16 1.55 1.01 0.19 -5.07 120.40 117.76 1ynf s VAL 281 Ca -0.05 -1.09 -0.31 0.00 0.00 0.00 0.00 61.98 60.52 1ynf s VAL 281 Cb 0.12 -2.43 -0.11 0.00 0.00 0.00 0.00 36.38 33.97 1ynf s VAL 281 CO 0.79 0.18 1.78 0.21 0.00 0.00 0.00 175.10 178.06 1ynf s ASN 282 N 1.30 6.42 0.00 3.32 3.84 -1.26 -1.48 114.94 127.08 1ynf s ASN 282 Ca -0.01 2.79 0.00 0.00 0.21 0.00 0.00 52.86 55.85 1ynf s ASN 282 Cb -0.17 -2.58 0.00 0.00 -0.55 0.00 0.00 41.25 37.95 1ynf s ASN 282 CO -0.05 -0.98 0.00 0.61 -2.79 0.00 0.00 177.10 173.89 1ynf n GLY 283 N 4.12 0.45 3.01 1.21 0.00 -1.26 -4.74 105.19 107.98 1ynf n GLY 283 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 1ynf n GLY 283 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ynf n PHE 284 N -2.40 -2.53 -3.62 1.61 -0.00 -0.55 -4.88 117.46 105.09 1ynf n PHE 284 Ca 0.00 -0.09 -0.03 0.00 -0.00 0.00 0.00 57.45 57.33 1ynf n PHE 284 Cb 0.11 -1.37 -0.05 0.00 -0.00 0.00 0.00 39.48 38.17 1ynf n PHE 284 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1ynf s ALA 286 N -2.07 -2.08 -0.54 3.13 0.00 -1.26 -4.91 121.76 114.03 1ynf s ALA 286 Ca 0.37 2.33 -0.09 0.00 0.00 0.00 0.00 51.96 54.58 1ynf s ALA 286 Cb -0.06 -1.70 0.14 0.00 0.00 0.00 0.00 23.12 21.50 1ynf s ALA 286 CO 0.33 -0.73 0.42 0.42 0.00 0.00 0.00 175.76 176.19 1ynf s ILE 287 N 2.37 4.33 -0.15 0.00 1.01 -0.54 -4.98 121.20 123.25 1ynf s ILE 287 Ca -0.07 -2.05 -0.16 0.00 0.00 0.00 0.00 60.65 58.38 1ynf s ILE 287 Cb -0.09 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 1ynf s ILE 287 CO -0.19 -0.83 0.37 -1.61 0.00 0.00 0.00 174.94 172.68 1ynf s GLU 288 N 1.00 4.28 -0.42 2.79 2.02 -1.25 -1.57 118.70 125.55 1ynf s GLU 288 Ca 0.09 0.24 -0.19 0.00 0.02 0.00 0.00 54.97 55.12 1ynf s GLU 288 Cb -0.23 -3.44 0.02 0.00 0.10 0.00 0.00 34.13 30.58 1ynf s GLU 288 CO -0.02 0.18 0.56 0.08 0.02 0.00 0.00 175.26 176.09 1ynf s VAL 289 N 0.60 4.93 0.45 2.63 1.01 0.14 -4.85 120.40 125.31 1ynf s VAL 289 Ca 0.20 0.02 -0.24 0.00 0.00 0.00 0.00 61.98 61.96 1ynf s VAL 289 Cb -0.14 -4.12 -0.07 0.00 0.00 0.00 0.00 36.38 32.05 1ynf s VAL 289 CO 0.06 -0.48 1.27 -2.16 0.00 0.00 0.00 175.10 173.79 1ynf s PRO 290 N 2.55 3.72 0.48 2.72 0.04 -1.26 -1.72 135.00 141.54 1ynf s PRO 290 Ca 0.19 2.04 0.17 0.00 0.04 0.00 0.00 61.00 63.44 1ynf s PRO 290 Cb -0.15 -2.53 1.18 0.00 0.04 0.00 0.00 34.50 33.03 1ynf s PRO 290 CO 0.16 -0.66 2.05 0.00 0.04 0.00 0.00 177.00 178.59 1ynf h ALA 291 N 2.21 2.10 -0.68 8.56 0.00 -1.97 -1.56 119.26 127.92 1ynf h ALA 291 Ca -0.50 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.47 1ynf h ALA 291 Cb 1.26 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 1ynf h ALA 291 CO 0.61 -0.19 0.37 1.79 0.00 0.00 0.00 179.25 181.83 1ynf h THR 292 N 0.20 0.93 0.03 0.00 1.35 -2.00 -2.93 112.91 110.49 1ynf h THR 292 Ca 0.17 -0.23 -0.13 0.00 -0.55 0.00 0.00 66.41 65.68 1ynf h THR 292 Cb 0.43 0.21 0.01 0.00 -1.73 0.00 0.00 68.15 67.07 1ynf h THR 292 CO -0.03 0.12 -0.52 1.56 -0.25 0.00 0.00 175.52 176.40 1ynf h GLN 293 N 0.66 0.30 -3.44 4.72 4.20 -1.68 -3.44 115.11 116.42 1ynf h GLN 293 Ca 0.31 -0.36 -0.42 0.00 0.06 0.00 0.00 58.65 58.24 1ynf h GLN 293 Cb 0.24 0.11 -0.39 0.00 0.30 0.00 0.00 27.48 27.75 1ynf h GLN 293 CO -0.21 1.08 -0.75 0.08 -0.67 0.00 0.00 178.83 178.36 1ynf s VAL 294 N -2.96 0.13 0.83 -0.54 1.01 -0.85 -4.85 120.40 113.17 1ynf s VAL 294 Ca -0.14 0.16 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 1ynf s VAL 294 Cb 0.02 -0.42 0.09 0.00 0.00 0.00 0.00 36.38 36.07 1ynf s VAL 294 CO 0.79 0.12 1.13 -0.94 0.00 0.00 0.00 175.10 176.20 1ynf s SER 295 N 2.07 4.27 0.21 3.32 1.04 -1.19 -4.09 113.70 119.33 1ynf s SER 295 Ca 0.04 1.07 -0.07 0.00 0.48 0.00 0.00 55.95 57.47 1ynf s SER 295 Cb -0.13 -1.71 0.16 0.00 0.10 0.00 0.00 66.02 64.44 1ynf s SER 295 CO -0.05 -2.08 1.73 0.58 0.98 0.00 0.00 173.24 174.40 1ynf h VAL 296 N -1.17 1.26 -0.24 5.02 2.07 -1.98 -1.14 116.25 120.06 1ynf h VAL 296 Ca -0.48 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.12 1ynf h VAL 296 Cb 1.30 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1ynf h VAL 296 CO 0.62 0.37 0.04 -1.28 0.02 0.00 0.00 177.57 177.34 1ynf h SER 297 N 1.05 0.00 -0.89 0.57 0.87 -1.92 0.54 113.55 113.77 1ynf h SER 297 Ca 0.22 0.04 0.02 0.00 -1.23 0.00 0.00 61.79 60.84 1ynf h SER 297 Cb 0.36 0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.33 1ynf h SER 297 CO 0.00 0.03 0.59 0.44 -0.53 0.00 0.00 176.83 177.36 1ynf h ASP 298 N 0.13 1.00 -0.31 6.23 3.45 -1.85 -1.34 116.42 123.73 1ynf h ASP 298 Ca 0.11 -0.02 0.02 0.00 0.43 0.00 0.00 57.03 57.57 1ynf h ASP 298 Cb 0.11 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.62 1ynf h ASP 298 CO -0.15 0.71 0.16 0.74 -1.57 0.00 0.00 179.24 179.13 1ynf h THR 299 N 1.17 1.01 -0.29 0.35 2.02 -0.23 -0.92 112.91 116.01 1ynf h THR 299 Ca 0.34 -0.12 -0.12 0.00 0.77 0.00 0.00 66.41 67.29 1ynf h THR 299 Cb -0.08 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1ynf h THR 299 CO -0.09 0.06 -0.31 0.58 0.37 0.00 0.00 175.52 176.13 1ynf h VAL 300 N 0.34 1.28 0.03 3.16 2.07 -0.50 0.41 116.25 123.04 1ynf h VAL 300 Ca 0.12 -1.42 -0.22 0.00 0.82 0.00 0.00 66.70 66.00 1ynf h VAL 300 Cb 0.03 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1ynf h VAL 300 CO -0.07 0.46 -0.99 0.77 0.02 0.00 0.00 177.57 177.75 1ynf h SER 301 N 0.53 0.22 0.42 0.57 4.64 -1.07 -3.34 113.55 115.52 1ynf h SER 301 Ca 0.06 -0.21 -0.09 0.00 -0.47 0.00 0.00 61.79 61.08 1ynf h SER 301 Cb 0.79 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.80 1ynf h SER 301 CO 0.06 1.08 -1.66 0.35 -0.87 0.00 0.00 176.83 175.79 1ynf n THR 302 N -3.55 0.63 -3.18 2.95 -2.24 -0.37 -4.97 114.28 103.55 1ynf n THR 302 Ca -0.04 -0.61 -0.17 0.00 -2.27 0.00 0.00 64.05 60.96 1ynf n THR 302 Cb 0.89 -0.32 0.05 0.00 -2.10 0.00 0.00 70.33 68.85 1ynf n THR 302 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1ynf n TYR 303 N -2.58 -1.94 -0.34 4.78 4.02 0.13 -4.13 117.16 117.10 1ynf n TYR 303 Ca -0.08 0.65 0.09 0.00 -0.01 0.00 0.00 57.90 58.55 1ynf n TYR 303 Cb 0.71 -3.85 0.26 0.00 -0.02 0.00 0.00 39.34 36.44 1ynf n TYR 303 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1ynf h LEU 304 N -1.74 0.75 -0.86 7.72 5.85 -1.85 -1.79 115.31 123.39 1ynf h LEU 304 Ca -0.41 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1ynf h LEU 304 Cb 1.27 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1ynf h LEU 304 CO 0.41 0.34 -0.07 0.49 -0.34 0.00 0.00 178.44 179.27 1ynf n PHE 305 N -4.75 0.00 -0.46 1.25 3.01 -1.26 -3.61 117.46 111.64 1ynf n PHE 305 Ca 0.19 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.51 1ynf n PHE 305 Cb 0.44 -0.03 0.13 0.00 -0.01 0.00 0.00 39.48 40.01 1ynf n PHE 305 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1ynf n ASN 306 N -0.02 3.55 -4.93 4.37 2.85 -0.67 -4.37 115.26 116.04 1ynf n ASN 306 Ca 0.17 -3.03 -0.25 0.00 -0.11 0.00 0.00 54.58 51.36 1ynf n ASN 306 Cb 0.36 -0.72 0.00 0.00 1.24 0.00 0.00 39.78 40.66 1ynf n ASN 306 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1ynf s SER 307 N -0.52 6.11 -0.20 1.20 0.01 -1.24 -1.22 113.70 117.84 1ynf s SER 307 Ca 0.38 0.61 -0.11 0.00 1.31 0.00 0.00 55.95 58.14 1ynf s SER 307 Cb 0.31 -1.97 -0.05 0.00 0.21 0.00 0.00 66.02 64.53 1ynf s SER 307 CO 0.08 -0.56 0.18 -1.10 0.41 0.00 0.00 173.24 172.25 1ynf s GLN 308 N -4.59 4.19 -0.48 12.44 -0.21 -0.67 -4.65 119.66 125.70 1ynf s GLN 308 Ca 0.46 -0.14 -0.11 0.00 0.02 0.00 0.00 55.36 55.59 1ynf s GLN 308 Cb -0.10 -3.44 0.11 0.00 1.00 0.00 0.00 33.01 30.58 1ynf s GLN 308 CO 0.40 0.24 0.37 -1.17 -2.12 0.00 0.00 175.29 173.01 1ynf s LEU 309 N 0.52 5.72 0.28 2.90 2.96 -1.26 -0.64 118.68 129.16 1ynf s LEU 309 Ca 0.10 -1.79 0.02 0.00 -0.22 0.00 0.00 54.13 52.24 1ynf s LEU 309 Cb -0.12 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 1ynf s LEU 309 CO 0.01 -0.70 0.44 -0.76 -1.32 0.00 0.00 176.35 174.02 1ynf s LEU 310 N 1.44 4.18 -0.06 -0.68 1.43 -1.26 -4.75 118.68 118.97 1ynf s LEU 310 Ca 0.05 0.27 0.04 0.00 -1.03 0.00 0.00 54.13 53.46 1ynf s LEU 310 Cb -0.26 -3.09 -0.02 0.00 0.03 0.00 0.00 46.19 42.85 1ynf s LEU 310 CO 0.01 -0.16 -0.18 -0.44 0.23 0.00 0.00 176.35 175.81 1ynf s SER 311 N -3.91 3.71 0.49 2.29 0.01 -1.26 -4.83 113.70 110.20 1ynf s SER 311 Ca 0.37 -0.32 0.09 0.00 1.31 0.00 0.00 55.95 57.40 1ynf s SER 311 Cb -0.09 -0.91 0.05 0.00 0.21 0.00 0.00 66.02 65.27 1ynf s SER 311 CO 0.32 0.29 0.66 -0.13 0.41 0.00 0.00 173.24 174.79 1ynf s ARG 312 N -0.42 2.56 0.35 12.44 0.52 0.42 -5.00 118.95 129.81 1ynf s ARG 312 Ca 0.05 -1.46 0.04 0.00 -0.52 0.00 0.00 55.73 53.83 1ynf s ARG 312 Cb -0.12 -2.68 0.64 0.00 0.52 0.00 0.00 34.95 33.31 1ynf s ARG 312 CO 0.02 -0.55 1.94 -0.44 0.02 0.00 0.00 175.30 176.29 1ynf h ASP 313 N 0.44 0.58 0.06 0.23 5.19 -1.99 -2.50 116.42 118.43 1ynf h ASP 313 Ca -0.35 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 55.99 1ynf h ASP 313 Cb 1.28 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.65 1ynf h ASP 313 CO 0.44 0.53 0.00 -0.90 -3.12 0.00 0.00 179.24 176.19 1ynf n ASP 314 N -4.36 0.00 0.00 6.45 5.68 -1.26 -4.86 116.55 118.20 1ynf n ASP 314 Ca 0.03 -0.74 0.00 0.00 -0.50 0.00 0.00 54.79 53.59 1ynf n ASP 314 Cb 0.15 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 1ynf n ASP 314 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ynf n GLY 315 N 0.70 0.59 0.67 6.12 0.00 -0.94 -5.24 105.19 107.09 1ynf n GLY 315 Ca 0.19 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.15 1ynf n GLY 315 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ynf n SER 316 N 0.00 -0.83 -3.66 1.61 3.41 -1.26 -4.76 113.62 108.14 1ynf n SER 316 Ca 0.00 -0.77 -0.14 0.00 -0.26 0.00 0.00 58.87 57.71 1ynf n SER 316 Cb 0.00 -0.19 -0.13 0.00 -0.26 0.00 0.00 64.21 63.63 1ynf n SER 316 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ynf s LEU 319 N 0.00 -0.29 -0.32 1.04 1.43 -0.31 -0.44 118.68 119.79 1ynf s LEU 319 Ca 0.13 0.57 -0.15 0.00 -1.03 0.00 0.00 54.13 53.66 1ynf s LEU 319 Cb -0.01 0.67 -0.02 0.00 0.03 0.00 0.00 46.19 46.86 1ynf s LEU 319 CO 0.10 -0.24 0.34 -0.69 0.23 0.00 0.00 176.35 176.09 1ynf s VAL 320 N 2.41 5.19 0.23 -1.59 1.01 0.19 -0.41 120.40 127.44 1ynf s VAL 320 Ca 0.01 0.15 0.10 0.00 0.00 0.00 0.00 61.98 62.25 1ynf s VAL 320 Cb -0.12 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 1ynf s VAL 320 CO -0.08 -0.00 -0.19 -0.76 0.00 0.00 0.00 175.10 174.07 1ynf s LEU 321 N 1.99 2.54 0.48 3.92 1.02 0.13 -1.66 118.68 127.10 1ynf s LEU 321 Ca 0.12 -0.98 -0.15 0.00 0.02 0.00 0.00 54.13 53.14 1ynf s LEU 321 Cb -0.16 -0.96 -0.07 0.00 0.02 0.00 0.00 46.19 45.02 1ynf s LEU 321 CO 0.11 -0.02 0.92 -2.16 0.02 0.00 0.00 176.35 175.23 1ynf s PRO 322 N -3.33 3.89 0.45 1.29 0.04 -1.26 -1.22 135.00 134.85 1ynf s PRO 322 Ca 0.25 0.80 0.25 0.00 0.04 0.00 0.00 61.00 62.34 1ynf s PRO 322 Cb -0.04 -2.21 1.27 0.00 0.04 0.00 0.00 34.50 33.55 1ynf s PRO 322 CO 0.11 -0.21 1.78 0.37 0.04 0.00 0.00 177.00 179.09 1ynf h GLN 323 N 0.98 0.24 -0.06 4.56 4.15 -1.64 -1.26 115.11 122.08 1ynf h GLN 323 Ca -0.47 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 58.95 1ynf h GLN 323 Cb 1.19 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.82 1ynf h GLN 323 CO 0.62 0.16 0.10 1.05 -1.93 0.00 0.00 178.83 178.83 1ynf h GLU 324 N 0.25 0.00 0.00 1.69 9.09 -1.89 -0.78 114.58 122.95 1ynf h GLU 324 Ca 0.59 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.86 1ynf h GLU 324 Cb 1.80 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.88 1ynf h GLU 324 CO -0.21 0.00 -0.69 0.00 0.05 0.00 0.00 179.01 178.16 1ynf h ARG 326 N 0.00 0.05 0.00 0.00 2.43 -1.32 -3.05 114.38 112.49 1ynf h ARG 326 Ca -0.01 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1ynf h ARG 326 Cb 1.23 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1ynf h ARG 326 CO 0.09 0.97 0.00 0.39 -1.51 0.00 0.00 179.97 179.90 1ynf n GLU 327 N -3.34 0.04 -3.52 0.20 1.02 -0.85 -4.54 120.64 109.66 1ynf n GLU 327 Ca -0.04 0.04 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 1ynf n GLU 327 Cb 0.97 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.80 1ynf n GLU 327 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1ynf s HIS 328 N -2.95 3.32 0.24 -0.32 2.46 -1.05 -4.97 115.29 112.03 1ynf s HIS 328 Ca 0.14 -1.41 -0.06 0.00 0.47 0.00 0.00 55.06 54.20 1ynf s HIS 328 Cb 0.17 -3.16 0.44 0.00 -0.13 0.00 0.00 32.58 29.90 1ynf s HIS 328 CO 0.47 -0.87 1.65 0.00 -2.47 0.00 0.00 174.74 173.52 1ynf h ALA 329 N 8.54 0.83 -0.31 1.58 0.00 -1.86 0.14 119.26 128.18 1ynf h ALA 329 Ca -0.25 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ynf h ALA 329 Cb 1.09 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 1ynf h ALA 329 CO 0.83 -0.41 0.19 0.78 0.00 0.00 0.00 179.25 180.64 1ynf h GLY 330 N 0.14 0.45 0.76 0.00 0.00 -1.93 0.54 103.07 103.03 1ynf h GLY 330 Ca 0.41 -0.18 -0.08 0.00 0.00 0.00 0.00 47.33 47.48 1ynf h GLY 330 CO -0.62 0.18 -0.21 -2.08 0.00 0.00 0.00 176.54 173.81 1ynf h VAL 331 N 0.40 1.36 -0.90 4.60 2.07 -1.63 -2.40 116.25 119.76 1ynf h VAL 331 Ca 0.11 -1.43 0.04 0.00 0.82 0.00 0.00 66.70 66.24 1ynf h VAL 331 Cb -0.01 1.96 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 1ynf h VAL 331 CO -0.02 0.42 0.58 -0.25 0.02 0.00 0.00 177.57 178.32 1ynf h TRP 332 N 0.00 1.08 -0.31 1.57 -0.00 -0.64 -0.35 115.95 117.31 1ynf h TRP 332 Ca 0.01 0.03 -0.00 0.00 -0.00 0.00 0.00 58.89 58.93 1ynf h TRP 332 Cb 0.77 -0.36 -0.01 0.00 -0.00 0.00 0.00 29.16 29.56 1ynf h TRP 332 CO 0.09 0.61 0.17 0.78 -0.00 0.00 0.00 178.44 180.10 1ynf h GLY 333 N 1.11 0.45 1.00 2.65 0.00 -0.84 -1.63 103.07 105.82 1ynf h GLY 333 Ca 0.36 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1ynf h GLY 333 CO -0.13 0.19 0.44 -1.82 0.00 0.00 0.00 176.54 175.22 1ynf h TYR 334 N 0.38 0.90 -0.81 5.60 3.20 -0.84 -2.38 116.97 123.02 1ynf h TYR 334 Ca 0.11 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 1ynf h TYR 334 Cb 0.04 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 37.98 1ynf h TYR 334 CO -0.03 0.59 0.45 -0.07 -1.64 0.00 0.00 178.16 177.46 1ynf h LEU 335 N 0.95 1.01 -1.28 2.82 3.38 -0.78 0.96 115.31 122.37 1ynf h LEU 335 Ca 0.25 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 1ynf h LEU 335 Cb -0.07 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 1ynf h LEU 335 CO -0.05 0.81 -0.12 0.78 0.09 0.00 0.00 178.44 179.95 1ynf h ASN 336 N 1.13 0.32 -0.23 -0.43 2.35 -1.05 0.91 115.58 118.58 1ynf h ASN 336 Ca 0.29 -0.07 -0.15 0.00 -0.55 0.00 0.00 56.30 55.82 1ynf h ASN 336 Cb 0.02 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1ynf h ASN 336 CO -0.05 0.48 -0.42 -0.08 -1.65 0.00 0.00 177.43 175.71 1ynf h GLU 337 N 0.32 0.70 -0.96 0.81 4.81 -0.86 -2.92 114.58 116.48 1ynf h GLU 337 Ca 0.06 -0.44 -0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1ynf h GLU 337 Cb 0.41 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.80 1ynf h GLU 337 CO 0.02 1.06 0.59 1.25 -0.73 0.00 0.00 179.01 181.20 1ynf h LEU 338 N 0.42 1.15 -1.36 1.64 5.85 -0.26 -1.02 115.31 121.72 1ynf h LEU 338 Ca 0.01 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 1ynf h LEU 338 Cb 1.03 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 1ynf h LEU 338 CO 0.10 0.87 0.01 0.25 -0.34 0.00 0.00 178.44 179.32 1ynf h LEU 339 N 1.32 0.40 0.00 2.25 5.85 -0.75 -2.73 115.31 121.65 1ynf h LEU 339 Ca 0.35 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1ynf h LEU 339 Cb -0.07 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.86 1ynf h LEU 339 CO -0.07 0.46 -0.81 0.00 -0.34 0.00 0.00 178.44 177.69 1ynf n ALA 340 N -2.48 3.07 -1.21 1.25 0.00 -0.91 -4.76 120.51 115.47 1ynf n ALA 340 Ca 0.01 -0.31 -0.29 0.00 0.00 0.00 0.00 53.44 52.85 1ynf n ALA 340 Cb 0.22 -1.09 0.16 0.00 0.00 0.00 0.00 19.45 18.74 1ynf n ALA 340 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ynf s ALA 341 N -3.19 1.16 -1.14 0.00 0.00 -0.44 -4.92 121.76 113.23 1ynf s ALA 341 Ca 0.05 -0.31 -0.21 0.00 0.00 0.00 0.00 51.96 51.49 1ynf s ALA 341 Cb 0.14 -3.13 0.05 0.00 0.00 0.00 0.00 23.12 20.18 1ynf s ALA 341 CO 0.76 -2.68 1.61 0.34 0.00 0.00 0.00 175.76 175.79 1ynf s ASP 342 N -3.50 6.56 0.27 0.00 2.15 -1.26 -4.88 116.67 116.00 1ynf s ASP 342 Ca 0.65 -1.87 -0.21 0.00 0.43 0.00 0.00 52.55 51.55 1ynf s ASP 342 Cb -0.18 -2.57 0.02 0.00 -0.30 0.00 0.00 42.92 39.89 1ynf s ASP 342 CO 0.57 -1.45 0.71 0.54 -0.17 0.00 0.00 175.17 175.37 1ynf s ASN 343 N 4.80 -0.28 0.56 -0.34 2.20 -1.26 -5.06 114.94 115.55 1ynf s ASN 343 Ca 0.51 -0.56 0.31 0.00 -0.94 0.00 0.00 52.86 52.17 1ynf s ASN 343 Cb 0.02 0.72 1.66 0.00 -2.00 0.00 0.00 41.25 41.65 1ynf s ASN 343 CO -0.01 -1.31 2.15 -0.65 -2.94 0.00 0.00 177.10 174.34 1ynf h PRO 344 N 2.00 0.00 -6.20 3.55 0.11 -1.91 -3.43 132.00 126.12 1ynf h PRO 344 Ca -0.20 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.33 1ynf h PRO 344 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1ynf h PRO 344 CO 0.24 0.07 1.32 0.42 -0.21 0.00 0.00 178.00 179.84 1ynf s ILE 345 N -4.27 3.39 -0.73 4.15 1.01 -1.26 -4.60 121.20 118.89 1ynf s ILE 345 Ca -0.03 0.39 0.07 0.00 0.00 0.00 0.00 60.65 61.07 1ynf s ILE 345 Cb 0.13 -3.55 0.02 0.00 0.01 0.00 0.00 42.46 39.07 1ynf s ILE 345 CO 0.55 -0.37 0.60 -1.54 0.00 0.00 0.00 174.94 174.18 1ynf n SER 346 N 10.75 1.24 -3.73 3.58 3.41 -1.26 -4.60 113.62 123.00 1ynf n SER 346 Ca 0.24 -1.12 -0.13 0.00 -0.26 0.00 0.00 58.87 57.59 1ynf n SER 346 Cb 0.47 0.27 -0.09 0.00 -0.26 0.00 0.00 64.21 64.60 1ynf n SER 346 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1ynf s GLU 347 N -0.86 0.59 -0.12 4.33 2.12 -1.26 -5.09 118.70 118.40 1ynf s GLU 347 Ca 0.07 0.21 0.02 0.00 0.36 0.00 0.00 54.97 55.62 1ynf s GLU 347 Cb 0.06 0.27 -0.01 0.00 0.26 0.00 0.00 34.13 34.71 1ynf s GLU 347 CO 0.13 -0.13 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.03 1ynf s LEU 348 N -0.55 2.39 -0.10 2.70 1.02 -1.26 -1.16 118.68 121.72 1ynf s LEU 348 Ca -0.07 -0.45 0.01 0.00 0.02 0.00 0.00 54.13 53.64 1ynf s LEU 348 Cb -0.04 -1.51 0.02 0.00 0.02 0.00 0.00 46.19 44.68 1ynf s LEU 348 CO 0.03 0.16 -0.11 -0.75 0.02 0.00 0.00 176.35 175.70 1ynf s LYS 349 N 0.38 1.73 -0.06 1.70 2.20 0.46 -4.95 119.74 121.20 1ynf s LYS 349 Ca -0.14 -0.37 0.01 0.00 -0.36 0.00 0.00 55.97 55.10 1ynf s LYS 349 Cb -0.17 -1.59 -0.03 0.00 -1.51 0.00 0.00 37.83 34.53 1ynf s LYS 349 CO 0.07 -0.13 -0.06 0.08 -0.36 0.00 0.00 175.35 174.94 1ynf s VAL 350 N 1.22 3.76 0.05 4.02 1.01 -1.26 0.20 120.40 129.40 1ynf s VAL 350 Ca -0.04 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.50 1ynf s VAL 350 Cb -0.14 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 1ynf s VAL 350 CO -0.03 0.57 -0.15 -0.36 0.00 0.00 0.00 175.10 175.12 1ynf s PHE 351 N -0.85 1.29 -0.51 5.22 0.40 -0.35 -4.95 117.98 118.22 1ynf s PHE 351 Ca 0.13 -0.39 -0.25 0.00 -0.60 0.00 0.00 56.93 55.82 1ynf s PHE 351 Cb -0.11 -0.75 0.03 0.00 0.51 0.00 0.00 43.02 42.70 1ynf s PHE 351 CO 0.03 0.05 0.96 0.34 0.70 0.00 0.00 175.22 177.30 1ynf s ASP 352 N -1.35 6.42 -0.31 1.36 -1.08 -1.26 -1.52 116.67 118.94 1ynf s ASP 352 Ca 0.01 -0.09 0.14 0.00 -0.52 0.00 0.00 52.55 52.09 1ynf s ASP 352 Cb -0.09 -2.45 0.47 0.00 -1.46 0.00 0.00 42.92 39.39 1ynf s ASP 352 CO 0.02 -1.17 1.12 0.18 0.52 0.00 0.00 175.17 175.83 1ynf n LEU 353 N 7.42 3.28 -0.30 -1.34 4.77 -1.26 -4.86 117.00 124.71 1ynf n LEU 353 Ca 0.04 -4.10 0.04 0.00 -0.03 0.00 0.00 56.01 51.96 1ynf n LEU 353 Cb 0.48 0.02 0.18 0.00 -2.33 0.00 0.00 43.42 41.77 1ynf n LEU 353 CO 0.65 1.69 1.15 0.03 -1.33 0.00 0.00 177.39 179.58 1ynf h ARG 354 N 2.50 0.78 -0.02 3.23 3.08 -1.95 -2.84 114.38 119.16 1ynf h ARG 354 Ca 0.12 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1ynf h ARG 354 Cb 1.30 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 31.17 1ynf h ARG 354 CO 0.55 0.52 0.01 0.93 -1.07 0.00 0.00 179.97 180.90 1ynf h GLU 355 N 0.80 0.02 -1.71 0.04 4.39 -1.94 0.22 114.58 116.41 1ynf h GLU 355 Ca 0.42 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.11 1ynf h GLU 355 Cb 0.40 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1ynf h GLU 355 CO -0.26 0.03 0.00 0.45 -1.16 0.00 0.00 179.01 178.07 1ynf n SER 356 N -5.07 1.01 0.00 1.42 2.88 -1.07 -3.54 113.62 109.24 1ynf n SER 356 Ca -0.07 -0.70 0.00 0.00 -1.33 0.00 0.00 58.87 56.77 1ynf n SER 356 Cb 0.04 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 1ynf n SER 356 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ynf n ALA 358 N 0.93 0.00 -0.21 -1.46 0.00 0.06 -1.23 120.51 118.61 1ynf n ALA 358 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1ynf n ALA 358 Cb 0.16 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.88 1ynf n ALA 358 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ynf n ASN 359 N 0.00 3.65 0.00 0.00 3.02 -1.23 -4.91 115.26 115.78 1ynf n ASN 359 Ca 0.00 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.56 1ynf n ASN 359 Cb 0.00 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 1ynf n ASN 359 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ynf n GLY 360 N 1.39 1.11 3.04 7.41 0.00 -0.99 -5.10 105.19 112.06 1ynf n GLY 360 Ca 0.21 -0.32 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 1ynf n GLY 360 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ynf s GLY 361 N -2.32 1.02 0.00 -0.02 0.00 -0.36 -5.05 107.32 100.59 1ynf s GLY 361 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 44.72 44.00 1ynf s GLY 361 CO 0.00 0.27 0.00 0.61 0.00 0.00 0.00 173.10 173.98 1ynf n GLY 362 N 4.26 2.21 0.29 0.20 0.00 -1.26 -4.63 105.19 106.26 1ynf n GLY 362 Ca -0.19 -2.14 0.06 0.00 0.00 0.00 0.00 46.02 43.75 1ynf n GLY 362 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ynf h PRO 363 N 0.00 0.51 -0.07 1.61 0.11 -1.89 -2.27 132.00 130.00 1ynf h PRO 363 Ca 0.00 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.90 1ynf h PRO 363 Cb 0.00 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 30.99 1ynf h PRO 363 CO 0.00 0.34 -0.71 0.00 -0.21 0.00 0.00 178.00 177.41 1ynf h ALA 364 N 1.54 0.65 -0.27 -0.75 0.00 -1.43 -3.11 119.26 115.90 1ynf h ALA 364 Ca 0.43 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1ynf h ALA 364 Cb 0.62 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1ynf h ALA 364 CO -0.38 0.77 0.13 0.00 0.00 0.00 0.00 179.25 179.78 1ynf n LEU 366 N -4.45 0.34 -4.06 0.00 4.77 -1.08 -2.31 117.00 110.21 1ynf n LEU 366 Ca 0.01 -0.13 -0.14 0.00 -0.03 0.00 0.00 56.01 55.72 1ynf n LEU 366 Cb 0.11 -0.01 -0.12 0.00 -2.33 0.00 0.00 43.42 41.07 1ynf n LEU 366 CO 0.36 0.07 -0.41 0.00 -1.33 0.00 0.00 177.39 176.07 1ynf s ARG 367 N -1.98 0.55 -0.18 3.23 1.04 -0.63 -1.69 118.95 119.30 1ynf s ARG 367 Ca 0.37 -0.73 0.01 0.00 -1.04 0.00 0.00 55.73 54.34 1ynf s ARG 367 Cb 0.18 -0.35 0.02 0.00 -2.04 0.00 0.00 34.95 32.75 1ynf s ARG 367 CO 0.29 0.07 -0.18 -1.17 -0.04 0.00 0.00 175.30 174.27 1ynf s LEU 368 N -1.48 2.12 -0.20 -1.89 2.96 0.86 -3.60 118.68 117.45 1ynf s LEU 368 Ca -0.08 -0.66 -0.28 0.00 -0.22 0.00 0.00 54.13 52.89 1ynf s LEU 368 Cb -0.09 -1.43 -0.00 0.00 0.50 0.00 0.00 46.19 45.17 1ynf s LEU 368 CO 0.01 -0.02 0.96 -0.13 -1.32 0.00 0.00 176.35 175.84 1ynf s ARG 369 N 1.32 4.28 -0.24 1.98 0.52 -1.26 -1.24 118.95 124.30 1ynf s ARG 369 Ca 0.04 1.23 -0.00 0.00 -0.52 0.00 0.00 55.73 56.47 1ynf s ARG 369 Cb -0.13 -3.61 0.07 0.00 0.52 0.00 0.00 34.95 31.80 1ynf s ARG 369 CO -0.12 -0.50 0.01 0.08 0.02 0.00 0.00 175.30 174.79 1ynf s VAL 370 N 2.72 1.14 -0.13 3.52 1.01 -0.19 -4.83 120.40 123.65 1ynf s VAL 370 Ca 0.42 -1.13 -0.29 0.00 0.00 0.00 0.00 61.98 60.98 1ynf s VAL 370 Cb -0.16 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 1ynf s VAL 370 CO 0.10 -0.29 1.21 -0.69 0.00 0.00 0.00 175.10 175.43 1ynf s VAL 371 N 1.55 4.33 -0.01 2.92 1.01 -1.26 -0.79 120.40 128.15 1ynf s VAL 371 Ca -0.00 1.62 0.04 0.00 0.00 0.00 0.00 61.98 63.64 1ynf s VAL 371 Cb -0.18 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 1ynf s VAL 371 CO -0.11 -0.08 -0.12 -0.76 0.00 0.00 0.00 175.10 174.03 1ynf s LEU 372 N 2.91 2.04 0.91 3.92 1.43 0.44 -4.64 118.68 125.69 1ynf s LEU 372 Ca 0.54 -0.24 -0.12 0.00 -1.03 0.00 0.00 54.13 53.28 1ynf s LEU 372 Cb -0.22 -0.62 0.14 0.00 0.03 0.00 0.00 46.19 45.52 1ynf s LEU 372 CO 0.17 0.14 1.14 0.42 0.23 0.00 0.00 176.35 178.44 1ynf s THR 373 N -0.33 2.00 0.27 5.49 -4.23 -1.26 -1.05 115.64 116.53 1ynf s THR 373 Ca 0.04 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.52 1ynf s THR 373 Cb -0.05 -2.74 0.26 0.00 1.34 0.00 0.00 72.50 71.31 1ynf s THR 373 CO -0.00 -0.00 1.94 -0.08 -0.54 0.00 0.00 174.62 175.93 1ynf h GLU 374 N -1.51 1.20 -0.11 3.99 4.81 -1.96 0.19 114.58 121.18 1ynf h GLU 374 Ca -0.51 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 58.49 1ynf h GLU 374 Cb 1.33 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 1ynf h GLU 374 CO 0.62 0.79 -0.62 0.93 -0.73 0.00 0.00 179.01 180.00 1ynf h GLU 375 N 1.24 0.39 -0.23 1.92 5.08 -1.94 -2.57 114.58 118.46 1ynf h GLU 375 Ca 0.35 -0.27 -0.16 0.00 -1.00 0.00 0.00 59.36 58.28 1ynf h GLU 375 Cb -0.09 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1ynf h GLU 375 CO -0.09 0.88 -0.53 0.93 -1.00 0.00 0.00 179.01 179.21 1ynf h GLU 376 N 0.29 0.65 -0.60 2.33 5.08 -1.77 -2.22 114.58 118.34 1ynf h GLU 376 Ca -0.01 -0.40 -0.02 0.00 -1.00 0.00 0.00 59.36 57.93 1ynf h GLU 376 Cb 1.15 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 1ynf h GLU 376 CO 0.11 1.02 0.30 0.00 -1.00 0.00 0.00 179.01 179.43 1ynf h ARG 377 N 0.51 0.83 0.00 2.33 3.08 -0.54 -1.43 114.38 119.16 1ynf h ARG 377 Ca 0.02 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 1ynf h ARG 377 Cb 1.09 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 1ynf h ARG 377 CO 0.11 0.63 -0.45 0.00 -1.07 0.00 0.00 179.97 179.19 1ynf h ARG 378 N 0.84 0.00 0.00 0.04 3.08 -1.21 -3.01 114.38 114.12 1ynf h ARG 378 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1ynf h ARG 378 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1ynf h ARG 378 CO -0.03 0.45 0.00 0.00 -1.07 0.00 0.00 179.97 179.32 1ynf h ALA 379 N 1.55 1.00 -2.71 0.04 0.00 -0.65 -3.46 119.26 115.03 1ynf h ALA 379 Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.40 1ynf h ALA 379 Cb 0.90 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.72 1ynf h ALA 379 CO 0.06 0.00 0.48 0.08 0.00 0.00 0.00 179.25 179.87 1ynf s VAL 380 N -3.25 3.39 -0.46 0.00 1.01 -1.00 -4.49 120.40 115.61 1ynf s VAL 380 Ca 0.07 1.24 -0.36 0.00 0.00 0.00 0.00 61.98 62.94 1ynf s VAL 380 Cb 0.09 -3.73 -0.14 0.00 0.00 0.00 0.00 36.38 32.60 1ynf s VAL 380 CO 0.58 0.18 2.25 -3.20 0.00 0.00 0.00 175.10 174.91 1ynf n ASN 381 N 0.51 1.66 0.33 3.32 2.85 -0.64 -4.78 115.26 118.50 1ynf n ASN 381 Ca 0.02 0.37 0.21 0.00 -0.11 0.00 0.00 54.58 55.07 1ynf n ASN 381 Cb 0.46 -1.18 1.12 0.00 1.24 0.00 0.00 39.78 41.43 1ynf n ASN 381 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1ynf h PRO 382 N 12.21 0.00 0.00 1.20 0.13 -1.90 -2.66 132.00 140.98 1ynf h PRO 382 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1ynf h PRO 382 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1ynf h PRO 382 CO 1.08 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.85 1ynf n ALA 383 N -2.13 1.45 -3.47 -0.56 0.00 -1.26 -5.10 120.51 109.44 1ynf n ALA 383 Ca -0.03 0.08 -0.38 0.00 0.00 0.00 0.00 53.44 53.11 1ynf n ALA 383 Cb 0.10 -1.31 -0.04 0.00 0.00 0.00 0.00 19.45 18.20 1ynf n ALA 383 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1ynf n VAL 384 N -2.05 3.64 0.00 0.00 0.24 -1.01 -4.69 118.33 114.47 1ynf n VAL 384 Ca 0.01 -5.30 0.00 0.00 -2.04 0.00 0.00 64.34 57.01 1ynf n VAL 384 Cb 0.15 -2.36 0.00 0.00 -1.47 0.00 0.00 33.84 30.16 1ynf n VAL 384 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1ynf n ASN 387 N 2.12 0.00 -0.27 -1.34 0.23 -1.26 -1.18 115.26 113.55 1ynf n ASN 387 Ca 0.24 0.00 0.06 0.00 -0.53 0.00 0.00 54.58 54.34 1ynf n ASN 387 Cb 0.37 0.00 0.20 0.00 -2.08 0.00 0.00 39.78 38.27 1ynf n ASN 387 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1ynf h ASP 388 N 0.00 0.42 -0.07 0.53 3.32 -2.00 -0.46 116.42 118.15 1ynf h ASP 388 Ca 0.00 0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1ynf h ASP 388 Cb 0.00 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 1ynf h ASP 388 CO 0.00 0.18 0.03 0.74 -1.72 0.00 0.00 179.24 178.47 1ynf h THR 389 N 0.55 1.13 -0.41 0.35 2.02 -2.05 -0.85 112.91 113.65 1ynf h THR 389 Ca 0.43 -0.37 -0.05 0.00 0.77 0.00 0.00 66.41 67.18 1ynf h THR 389 Cb 0.61 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 1ynf h THR 389 CO -0.37 0.11 0.06 0.25 0.37 0.00 0.00 175.52 175.94 1ynf h LEU 390 N -0.02 0.65 -0.22 2.58 5.85 -1.89 -1.22 115.31 121.04 1ynf h LEU 390 Ca 0.03 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.53 1ynf h LEU 390 Cb 0.14 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 1ynf h LEU 390 CO -0.00 0.76 -0.11 0.15 -0.34 0.00 0.00 178.44 178.89 1ynf h PHE 391 N 0.53 -0.27 -0.33 1.25 3.57 -0.98 0.15 116.94 120.85 1ynf h PHE 391 Ca 0.12 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.54 1ynf h PHE 391 Cb 0.39 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 1ynf h PHE 391 CO 0.03 -0.17 -0.22 -0.91 -2.23 0.00 0.00 178.31 174.81 1ynf h ASN 392 N -0.09 0.65 -0.34 0.41 2.35 -1.07 -1.53 115.58 115.96 1ynf h ASN 392 Ca 0.12 -0.22 -0.04 0.00 -0.55 0.00 0.00 56.30 55.61 1ynf h ASN 392 Cb 0.27 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1ynf h ASN 392 CO -0.28 0.86 0.04 0.00 -1.65 0.00 0.00 177.43 176.40 1ynf h ALA 393 N 1.20 0.45 -0.48 -0.83 0.00 -0.66 -1.91 119.26 117.02 1ynf h ALA 393 Ca 0.08 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 1ynf h ALA 393 Cb 0.68 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1ynf h ALA 393 CO 0.05 0.16 -0.22 -0.07 0.00 0.00 0.00 179.25 179.17 1ynf h LEU 394 N 0.39 1.02 -0.96 0.00 3.38 -0.64 -1.10 115.31 117.41 1ynf h LEU 394 Ca 0.10 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1ynf h LEU 394 Cb 0.37 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1ynf h LEU 394 CO 0.01 1.19 0.53 0.78 0.09 0.00 0.00 178.44 181.04 1ynf h ASN 395 N 0.85 1.11 -0.38 -0.43 2.35 -1.21 -0.06 115.58 117.82 1ynf h ASN 395 Ca 0.11 -0.08 -0.09 0.00 -0.55 0.00 0.00 56.30 55.68 1ynf h ASN 395 Cb 0.80 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 1ynf h ASN 395 CO 0.07 0.87 -0.13 0.44 -1.65 0.00 0.00 177.43 177.03 1ynf h ASP 396 N 1.27 0.77 -0.61 5.81 3.32 -1.15 -1.48 116.42 124.35 1ynf h ASP 396 Ca 0.32 -0.38 0.03 0.00 0.02 0.00 0.00 57.03 57.02 1ynf h ASP 396 Cb -0.02 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.28 1ynf h ASP 396 CO -0.06 0.98 0.37 -0.25 -1.72 0.00 0.00 179.24 178.56 1ynf h TRP 397 N 0.56 0.68 -0.30 4.55 7.01 -0.77 -1.59 115.95 126.10 1ynf h TRP 397 Ca 0.09 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.09 1ynf h TRP 397 Cb 0.66 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.49 1ynf h TRP 397 CO 0.05 0.38 0.11 0.28 -2.79 0.00 0.00 178.44 176.47 1ynf h VAL 398 N 0.71 1.18 -0.16 2.65 2.07 -0.86 -1.95 116.25 119.89 1ynf h VAL 398 Ca 0.25 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 67.21 1ynf h VAL 398 Cb 0.05 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1ynf h VAL 398 CO -0.11 0.20 0.11 0.44 0.02 0.00 0.00 177.57 178.22 1ynf h ASP 399 N 0.33 0.13 0.08 0.57 3.32 -0.90 0.60 116.42 120.54 1ynf h ASP 399 Ca 0.10 -0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.97 1ynf h ASP 399 Cb 0.20 -0.03 0.02 0.00 0.22 0.00 0.00 39.33 39.73 1ynf h ASP 399 CO -0.01 0.09 -0.73 0.03 -1.72 0.00 0.00 179.24 176.90 1ynf h ARG 400 N 0.15 0.36 0.00 3.56 3.08 -0.91 -3.41 114.38 117.22 1ynf h ARG 400 Ca 0.07 -0.49 -0.12 0.00 0.07 0.00 0.00 59.98 59.50 1ynf h ARG 400 Cb 0.08 0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1ynf h ARG 400 CO -0.01 1.18 -2.02 0.66 -1.07 0.00 0.00 179.97 178.71 1ynf n TYR 401 N -4.16 0.00 -2.99 3.04 4.02 -0.77 -5.00 117.16 111.30 1ynf n TYR 401 Ca -0.12 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.37 1ynf n TYR 401 Cb 0.76 -0.61 -0.06 0.00 -0.02 0.00 0.00 39.34 39.41 1ynf n TYR 401 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1ynf s TYR 402 N -3.01 3.84 0.40 -0.72 1.51 0.19 -4.96 117.35 114.59 1ynf s TYR 402 Ca -0.08 1.56 -0.10 0.00 -1.01 0.00 0.00 57.07 57.44 1ynf s TYR 402 Cb 0.10 -2.78 -0.06 0.00 -0.11 0.00 0.00 41.96 39.11 1ynf s TYR 402 CO 0.79 0.43 0.76 1.03 -1.11 0.00 0.00 175.55 177.45 1ynf s ARG 403 N -0.75 3.78 0.06 -0.62 0.52 -1.26 -4.71 118.95 115.97 1ynf s ARG 403 Ca 0.36 0.45 0.24 0.00 -0.52 0.00 0.00 55.73 56.26 1ynf s ARG 403 Cb -0.22 -2.40 0.26 0.00 0.52 0.00 0.00 34.95 33.11 1ynf s ARG 403 CO 0.25 -0.02 1.23 -0.25 0.02 0.00 0.00 175.30 176.53 1ynf n ASP 404 N -1.26 0.62 -3.85 0.23 9.92 -1.26 -1.85 116.55 119.11 1ynf n ASP 404 Ca 0.02 -0.13 -0.12 0.00 -0.53 0.00 0.00 54.79 54.03 1ynf n ASP 404 Cb 0.54 0.43 -0.14 0.00 -0.64 0.00 0.00 41.12 41.32 1ynf n ASP 404 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1ynf s ARG 405 N -3.13 0.04 -0.14 -1.24 3.52 -1.26 -4.24 118.95 112.51 1ynf s ARG 405 Ca 0.07 0.07 -0.27 0.00 -0.13 0.00 0.00 55.73 55.46 1ynf s ARG 405 Cb 0.15 0.00 0.07 0.00 -1.56 0.00 0.00 34.95 33.61 1ynf s ARG 405 CO 0.75 -0.02 0.66 -1.17 -0.81 0.00 0.00 175.30 174.71 1ynf s LEU 406 N 0.10 -0.54 0.14 -0.88 2.96 -0.48 -4.93 118.68 115.05 1ynf s LEU 406 Ca -0.01 0.97 -0.00 0.00 -0.22 0.00 0.00 54.13 54.87 1ynf s LEU 406 Cb -0.01 2.37 -0.04 0.00 0.50 0.00 0.00 46.19 49.01 1ynf s LEU 406 CO -0.00 -0.44 0.04 0.42 -1.32 0.00 0.00 176.35 175.05 1ynf s THR 407 N -0.52 0.26 0.48 3.68 -4.23 -1.26 -0.91 115.64 113.15 1ynf s THR 407 Ca -0.06 -1.93 0.20 0.00 -1.18 0.00 0.00 61.69 58.72 1ynf s THR 407 Cb -0.02 -2.07 0.37 0.00 1.34 0.00 0.00 72.50 72.12 1ynf s THR 407 CO 0.06 -0.47 1.97 0.00 -0.54 0.00 0.00 174.62 175.64 1ynf h ALA 408 N 2.82 2.29 0.00 3.99 0.00 -1.82 -0.70 119.26 125.83 1ynf h ALA 408 Ca -0.36 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1ynf h ALA 408 Cb 1.20 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1ynf h ALA 408 CO 0.60 -0.45 -0.14 0.00 0.00 0.00 0.00 179.25 179.26 1ynf h ALA 409 N 1.71 1.47 0.00 0.00 0.00 -1.96 -2.34 119.26 118.14 1ynf h ALA 409 Ca 0.29 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1ynf h ALA 409 Cb 0.86 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1ynf h ALA 409 CO -0.05 0.18 0.00 -0.25 0.00 0.00 0.00 179.25 179.13 1ynf n ASP 410 N -3.94 0.15 0.17 0.00 8.00 -0.27 -3.49 116.55 117.17 1ynf n ASP 410 Ca -0.02 0.52 0.13 0.00 0.71 0.00 0.00 54.79 56.12 1ynf n ASP 410 Cb 0.23 -0.56 0.57 0.00 -0.02 0.00 0.00 41.12 41.35 1ynf n ASP 410 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1ynf h LEU 411 N 0.00 0.00 -0.08 0.64 3.38 -1.52 -2.12 115.31 115.61 1ynf h LEU 411 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ynf h LEU 411 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1ynf h LEU 411 CO 0.00 0.00 -0.39 0.00 0.09 0.00 0.00 178.44 178.14 1ynf n ALA 412 N -1.83 3.31 -2.11 1.53 0.00 -1.23 -4.87 120.51 115.31 1ynf n ALA 412 Ca 0.01 -0.33 -0.43 0.00 0.00 0.00 0.00 53.44 52.70 1ynf n ALA 412 Cb 0.19 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 1ynf n ALA 412 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ynf s ASP 413 N -2.91 6.49 0.54 0.00 -1.08 -0.80 -4.80 116.67 114.12 1ynf s ASP 413 Ca 0.14 1.77 0.20 0.00 -0.52 0.00 0.00 52.55 54.15 1ynf s ASP 413 Cb 0.18 -2.53 1.44 0.00 -1.46 0.00 0.00 42.92 40.54 1ynf s ASP 413 CO 0.65 -1.14 2.17 -0.65 0.52 0.00 0.00 175.17 176.72 1ynf h PRO 414 N 10.24 0.00 -0.18 4.34 0.11 -1.89 -1.70 132.00 142.91 1ynf h PRO 414 Ca -0.34 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.62 1ynf h PRO 414 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1ynf h PRO 414 CO 0.99 0.01 -0.52 0.37 -0.21 0.00 0.00 178.00 178.64 1ynf h GLN 415 N 0.00 0.51 -0.64 1.05 4.15 -1.96 -1.57 115.11 116.64 1ynf h GLN 415 Ca -0.00 -0.30 -0.05 0.00 0.77 0.00 0.00 58.65 59.06 1ynf h GLN 415 Cb 0.02 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.72 1ynf h GLN 415 CO 0.00 0.90 0.20 1.25 -1.93 0.00 0.00 178.83 179.25 1ynf h LEU 416 N 0.39 0.94 -0.08 -2.39 5.85 -1.63 -0.53 115.31 117.87 1ynf h LEU 416 Ca 0.01 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.54 1ynf h LEU 416 Cb 1.04 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1ynf h LEU 416 CO 0.10 0.90 -0.05 0.25 -0.34 0.00 0.00 178.44 179.30 1ynf h LEU 417 N 0.93 -0.15 -0.88 2.25 5.85 -1.27 -1.06 115.31 120.99 1ynf h LEU 417 Ca 0.21 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.91 1ynf h LEU 417 Cb 0.30 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1ynf h LEU 417 CO -0.01 -0.07 0.21 0.03 -0.34 0.00 0.00 178.44 178.27 1ynf h ARG 418 N -0.05 1.04 -0.51 1.25 3.08 -1.05 -1.74 114.38 116.40 1ynf h ARG 418 Ca 0.05 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 1ynf h ARG 418 Cb 0.12 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1ynf h ARG 418 CO -0.11 0.89 0.21 0.93 -1.07 0.00 0.00 179.97 180.82 1ynf h GLU 419 N 1.00 0.76 -0.39 0.04 5.08 -0.83 -2.19 114.58 118.05 1ynf h GLU 419 Ca 0.22 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 1ynf h GLU 419 Cb 0.29 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1ynf h GLU 419 CO -0.01 0.67 -0.03 0.78 -1.00 0.00 0.00 179.01 179.42 1ynf h GLY 420 N 0.69 0.68 0.76 -3.84 0.00 -0.89 -0.65 103.07 99.82 1ynf h GLY 420 Ca 0.17 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 1ynf h GLY 420 CO -0.02 0.41 -0.06 3.21 0.00 0.00 0.00 176.54 180.09 1ynf h ARG 421 N 0.60 0.32 -0.36 4.80 2.47 -1.10 -1.27 114.38 119.83 1ynf h ARG 421 Ca 0.12 -0.13 -0.02 0.00 -1.26 0.00 0.00 59.98 58.69 1ynf h ARG 421 Cb 0.42 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.72 1ynf h ARG 421 CO 0.02 0.62 0.15 1.49 0.56 0.00 0.00 179.97 182.81 1ynf h GLU 422 N -0.00 0.53 -0.26 0.04 4.81 -1.31 -1.14 114.58 117.25 1ynf h GLU 422 Ca 0.04 -0.09 0.06 0.00 -0.13 0.00 0.00 59.36 59.23 1ynf h GLU 422 Cb 0.52 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.75 1ynf h GLU 422 CO 0.02 0.51 -0.14 0.00 -0.73 0.00 0.00 179.01 178.68 1ynf h ALA 423 N 0.99 0.07 -0.12 2.92 0.00 -1.06 0.13 119.26 122.20 1ynf h ALA 423 Ca 0.12 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1ynf h ALA 423 Cb 0.18 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1ynf h ALA 423 CO -0.01 -0.54 -0.28 -0.07 0.00 0.00 0.00 179.25 178.35 1ynf h LEU 424 N -0.10 0.21 -0.41 0.00 3.38 -1.06 0.11 115.31 117.43 1ynf h LEU 424 Ca 0.14 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 1ynf h LEU 424 Cb 0.32 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1ynf h LEU 424 CO -0.33 0.49 -0.30 -0.78 0.09 0.00 0.00 178.44 177.61 1ynf h ASP 425 N 0.19 0.99 -0.45 -0.43 3.58 -0.38 -0.81 116.42 119.10 1ynf h ASP 425 Ca 0.03 -0.44 -0.12 0.00 0.42 0.00 0.00 57.03 56.92 1ynf h ASP 425 Cb 0.59 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 1ynf h ASP 425 CO 0.04 1.21 -0.18 0.58 -2.88 0.00 0.00 179.24 178.01 1ynf h VAL 426 N 0.77 1.27 -0.58 2.25 2.07 -0.68 -2.95 116.25 118.41 1ynf h VAL 426 Ca 0.08 -1.33 -0.05 0.00 0.82 0.00 0.00 66.70 66.22 1ynf h VAL 426 Cb 0.89 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 1ynf h VAL 426 CO 0.08 0.45 0.16 0.25 0.02 0.00 0.00 177.57 178.53 1ynf h LEU 427 N 0.77 0.82 -1.96 2.57 5.85 -0.84 -1.07 115.31 121.45 1ynf h LEU 427 Ca 0.11 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1ynf h LEU 427 Cb 0.75 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 1ynf h LEU 427 CO 0.06 0.79 -0.11 0.77 -0.34 0.00 0.00 178.44 179.61 1ynf h SER 428 N 0.85 0.00 0.14 1.25 4.64 -0.99 0.12 113.55 119.56 1ynf h SER 428 Ca 0.19 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.32 1ynf h SER 428 Cb 0.28 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.39 1ynf h SER 428 CO -0.00 0.11 -0.85 1.56 -0.87 0.00 0.00 176.83 176.78 1ynf h GLN 429 N 0.00 0.29 -0.76 4.77 4.20 -1.16 0.75 115.11 123.19 1ynf h GLN 429 Ca -0.00 -0.49 0.03 0.00 0.06 0.00 0.00 58.65 58.25 1ynf h GLN 429 Cb 0.26 0.18 -0.05 0.00 0.30 0.00 0.00 27.48 28.17 1ynf h GLN 429 CO 0.01 1.23 0.48 1.25 -0.67 0.00 0.00 178.83 181.14 1ynf h LEU 430 N -0.39 0.80 -1.44 1.46 6.46 -0.53 -1.77 115.31 119.91 1ynf h LEU 430 Ca -0.15 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.60 1ynf h LEU 430 Cb 1.64 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 41.39 1ynf h LEU 430 CO 0.14 0.55 0.00 0.18 -0.62 0.00 0.00 178.44 178.69 1ynf n LEU 431 N -4.62 2.12 -3.82 2.25 4.77 0.35 -4.94 117.00 113.11 1ynf n LEU 431 Ca 0.09 -1.00 -0.30 0.00 -0.03 0.00 0.00 56.01 54.77 1ynf n LEU 431 Cb 0.09 -0.22 0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1ynf n LEU 431 CO 0.33 0.50 -0.14 -3.20 -1.33 0.00 0.00 177.39 173.55 1ynf n ASN 432 N 0.64 -3.05 -0.00 -1.43 5.15 -0.67 -4.60 115.26 111.30 1ynf n ASN 432 Ca 0.15 -1.03 0.07 0.00 -0.60 0.00 0.00 54.58 53.17 1ynf n ASN 432 Cb 0.36 -3.15 -0.09 0.00 -0.53 0.00 0.00 39.78 36.36 1ynf n ASN 432 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1ynf n LEU 433 N -4.34 0.40 0.00 1.20 4.77 0.23 -5.01 117.00 114.25 1ynf n LEU 433 Ca -0.19 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 1ynf n LEU 433 Cb 0.63 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1ynf n LEU 433 CO 0.71 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1ynf n GLY 434 N 1.47 -1.01 3.47 -0.72 0.00 -1.21 -4.14 105.19 103.06 1ynf n GLY 434 Ca 0.01 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.40 1ynf n GLY 434 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ynf n SER 435 N -0.72 4.81 0.11 1.61 7.64 -1.26 -4.68 113.62 121.13 1ynf n SER 435 Ca 0.00 -2.91 0.11 0.00 1.01 0.00 0.00 58.87 57.08 1ynf n SER 435 Cb 0.00 -1.74 0.01 0.00 -1.01 0.00 0.00 64.21 61.47 1ynf n SER 435 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 1ynf h VAL 436 N 5.37 0.03 -3.03 0.44 3.04 -1.94 -3.46 116.25 116.71 1ynf h VAL 436 Ca 0.46 -1.07 -0.59 0.00 -1.01 0.00 0.00 66.70 64.50 1ynf h VAL 436 Cb 0.84 1.58 -0.04 0.00 -2.01 0.00 0.00 31.29 31.67 1ynf h VAL 436 CO 1.51 0.02 -0.40 -0.31 -1.01 0.00 0.00 177.57 177.39 1ynf s TYR 437 N -3.32 3.49 0.26 3.17 1.51 -1.26 -4.79 117.35 116.40 1ynf s TYR 437 Ca 0.00 0.40 -0.02 0.00 -1.01 0.00 0.00 57.07 56.44 1ynf s TYR 437 Cb 0.09 -1.88 0.52 0.00 -0.11 0.00 0.00 41.96 40.58 1ynf s TYR 437 CO 0.78 0.50 1.73 -1.35 -1.11 0.00 0.00 175.55 176.10 1ynf h PRO 438 N 2.87 0.46 0.00 -1.71 0.11 -2.00 -0.44 132.00 131.29 1ynf h PRO 438 Ca -0.46 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1ynf h PRO 438 Cb 1.16 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1ynf h PRO 438 CO 0.74 0.30 -0.05 0.27 -0.21 0.00 0.00 178.00 179.05 1ynf h PHE 439 N 0.47 0.00 -0.00 0.65 -5.15 -1.99 -0.72 116.94 110.20 1ynf h PHE 439 Ca 0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.22 1ynf h PHE 439 Cb 0.71 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.88 1ynf h PHE 439 CO -0.15 0.05 -0.16 1.04 -2.00 0.00 0.00 178.31 177.09 1ynf n GLN 440 N -3.54 0.50 0.00 6.09 6.02 -0.18 -5.19 117.38 121.08 1ynf n GLN 440 Ca -0.02 -0.19 0.07 0.00 -0.01 0.00 0.00 57.00 56.85 1ynf n GLN 440 Cb 0.16 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 29.98 1ynf n GLN 440 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59