#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fsf n ARG 13 N 0.00 0.00 0.11 1.43 3.00 -1.26 -4.60 116.66 115.34 2fsf n ARG 13 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.84 2fsf n ARG 13 Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 32.46 32.73 2fsf n ARG 13 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 2fsf h ASN 14 N 0.00 0.20 -0.30 6.15 4.21 -1.99 -2.25 115.58 121.60 2fsf h ASN 14 Ca 0.00 -0.07 -0.07 0.00 1.21 0.00 0.00 56.30 57.37 2fsf h ASN 14 Cb 0.00 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.13 2fsf h ASN 14 CO 0.00 0.55 -0.02 -2.24 -1.29 0.00 0.00 177.43 174.43 2fsf h ASP 15 N 0.17 0.63 0.39 5.81 2.03 -1.99 -0.99 116.42 122.46 2fsf h ASP 15 Ca 0.02 -0.14 -0.32 0.00 -0.73 0.00 0.00 57.03 55.86 2fsf h ASP 15 Cb 0.72 -0.17 0.02 0.00 -0.83 0.00 0.00 39.33 39.08 2fsf h ASP 15 CO 0.05 0.71 -1.45 -0.09 -1.03 0.00 0.00 179.24 177.43 2fsf h ARG 16 N 0.62 0.41 -0.21 4.15 9.65 -1.77 -1.98 114.38 125.25 2fsf h ARG 16 Ca 0.12 -0.70 -0.01 0.00 -1.10 0.00 0.00 59.98 58.29 2fsf h ARG 16 Cb 0.42 0.26 -0.01 0.00 -1.39 0.00 0.00 29.97 29.25 2fsf h ARG 16 CO 0.02 1.32 0.07 1.15 2.80 0.00 0.00 179.97 185.33 2fsf h THR 17 N 0.11 1.18 -0.79 0.20 2.02 -1.31 -2.89 112.91 111.42 2fsf h THR 17 Ca -0.23 -0.55 -0.04 0.00 0.77 0.00 0.00 66.41 66.35 2fsf h THR 17 Cb 2.09 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 69.61 2fsf h THR 17 CO 0.23 0.18 0.32 -0.07 0.37 0.00 0.00 175.52 176.55 2fsf h LEU 18 N 0.17 1.09 -0.28 2.58 3.38 -1.21 -1.55 115.31 119.49 2fsf h LEU 18 Ca 0.07 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.88 2fsf h LEU 18 Cb 0.21 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2fsf h LEU 18 CO -0.00 0.96 0.15 0.03 0.09 0.00 0.00 178.44 179.66 2fsf h ARG 19 N 1.15 0.30 -0.24 1.13 3.08 -1.30 0.31 114.38 118.80 2fsf h ARG 19 Ca 0.26 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 60.17 2fsf h ARG 19 Cb 0.21 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 2fsf h ARG 19 CO -0.02 0.20 -0.39 -0.09 -1.07 0.00 0.00 179.97 178.60 2fsf h ARG 20 N 0.31 0.57 -0.42 0.04 2.43 -1.42 -2.58 114.38 113.31 2fsf h ARG 20 Ca 0.11 -0.28 -0.13 0.00 -0.81 0.00 0.00 59.98 58.87 2fsf h ARG 20 Cb 0.02 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2fsf h ARG 20 CO -0.07 0.86 -0.26 0.52 -1.51 0.00 0.00 179.97 179.52 2fsf h MET 21 N 0.47 0.88 -0.64 0.20 2.86 -1.05 -2.80 114.93 114.86 2fsf h MET 21 Ca 0.04 -0.39 0.03 0.00 -2.06 0.00 0.00 59.70 57.32 2fsf h MET 21 Cb 0.89 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.49 2fsf h MET 21 CO 0.08 1.04 0.42 0.00 1.06 0.00 0.00 176.91 179.51 2fsf h ARG 22 N 0.76 0.76 -0.49 1.72 2.47 -0.23 0.11 114.38 119.48 2fsf h ARG 22 Ca 0.09 -0.05 -0.05 0.00 -1.26 0.00 0.00 59.98 58.71 2fsf h ARG 22 Cb 0.82 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.94 2fsf h ARG 22 CO 0.07 0.50 0.09 0.87 0.56 0.00 0.00 179.97 182.06 2fsf h LYS 23 N 0.78 0.75 -0.26 0.04 1.57 -1.28 -2.07 116.57 116.09 2fsf h LYS 23 Ca 0.25 -0.16 -0.16 0.00 -1.87 0.00 0.00 60.65 58.71 2fsf h LYS 23 Cb 0.04 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 2fsf h LYS 23 CO -0.07 0.70 -0.46 0.28 -0.57 0.00 0.00 179.45 179.34 2fsf h VAL 24 N 0.72 1.29 -0.68 0.50 2.07 -0.92 -2.58 116.25 116.65 2fsf h VAL 24 Ca 0.16 -1.65 0.13 0.00 0.82 0.00 0.00 66.70 66.15 2fsf h VAL 24 Cb 0.31 1.69 -0.09 0.00 -1.52 0.00 0.00 31.29 31.68 2fsf h VAL 24 CO 0.00 0.53 0.20 0.58 0.02 0.00 0.00 177.57 178.90 2fsf h VAL 25 N 0.52 0.62 -0.82 2.57 2.07 -0.78 -0.25 116.25 120.18 2fsf h VAL 25 Ca 0.02 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.47 2fsf h VAL 25 Cb 1.06 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 2fsf h VAL 25 CO 0.10 0.06 0.54 0.78 0.02 0.00 0.00 177.57 179.07 2fsf h ASN 26 N 0.32 0.86 -0.25 0.57 2.35 -1.01 -0.76 115.58 117.67 2fsf h ASN 26 Ca 0.37 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.10 2fsf h ASN 26 Cb 0.57 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 2fsf h ASN 26 CO -0.42 0.59 0.11 0.40 -1.65 0.00 0.00 177.43 176.45 2fsf h ILE 27 N 1.00 1.16 -0.82 2.81 2.04 -0.99 -2.25 117.51 120.45 2fsf h ILE 27 Ca 0.33 -0.47 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 2fsf h ILE 27 Cb 0.07 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 2fsf h ILE 27 CO -0.10 0.16 0.37 0.40 0.00 0.00 0.00 178.15 178.98 2fsf h ILE 28 N 0.26 1.26 -0.43 -0.67 2.04 -0.48 -2.32 117.51 117.17 2fsf h ILE 28 Ca 0.08 -0.77 -0.10 0.00 1.00 0.00 0.00 64.86 65.08 2fsf h ILE 28 Cb 0.15 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 2fsf h ILE 28 CO -0.01 0.32 -0.10 0.78 0.00 0.00 0.00 178.15 179.14 2fsf h ASN 29 N 1.19 0.84 -0.38 1.72 2.35 -1.15 -1.06 115.58 119.09 2fsf h ASN 29 Ca 0.28 -0.36 0.09 0.00 -0.55 0.00 0.00 56.30 55.75 2fsf h ASN 29 Cb 0.16 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 2fsf h ASN 29 CO -0.03 1.01 0.26 0.00 -1.65 0.00 0.00 177.43 177.02 2fsf h ALA 30 N 0.86 2.19 0.00 -0.83 0.00 -1.04 -2.29 119.26 118.15 2fsf h ALA 30 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2fsf h ALA 30 Cb 0.64 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2fsf h ALA 30 CO 0.04 -0.29 0.00 -1.33 0.00 0.00 0.00 179.25 177.68 2fsf n MET 31 N -4.46 0.02 -0.33 0.00 2.81 -0.42 -4.13 117.12 110.62 2fsf n MET 31 Ca 0.05 0.07 -0.04 0.00 -1.81 0.00 0.00 57.70 55.97 2fsf n MET 31 Cb 0.36 -1.52 0.08 0.00 -0.71 0.00 0.00 33.22 31.43 2fsf n MET 31 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 2fsf h GLU 32 N 0.00 1.24 -0.37 0.03 4.81 -1.24 -2.41 114.58 116.65 2fsf h GLU 32 Ca 0.00 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.04 2fsf h GLU 32 Cb 0.46 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 2fsf h GLU 32 CO 0.00 0.91 0.09 -1.35 -0.73 0.00 0.00 179.01 177.93 2fsf h PRO 33 N 1.23 0.53 -0.27 0.92 0.11 -1.80 -1.27 132.00 131.47 2fsf h PRO 33 Ca 0.31 -0.09 0.01 0.00 0.11 0.00 0.00 66.00 66.34 2fsf h PRO 33 Cb 0.05 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 2fsf h PRO 33 CO -0.05 0.49 0.17 0.93 -0.21 0.00 0.00 178.00 179.33 2fsf h GLU 34 N 0.53 0.33 -0.44 1.05 5.08 -1.71 -3.02 114.58 116.40 2fsf h GLU 34 Ca 0.12 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.33 2fsf h GLU 34 Cb 0.20 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2fsf h GLU 34 CO -0.00 0.22 -0.27 0.52 -1.00 0.00 0.00 179.01 178.48 2fsf h MET 35 N 0.34 0.95 -0.92 2.33 2.86 -1.10 -3.02 114.93 116.37 2fsf h MET 35 Ca 0.10 -0.43 0.22 0.00 -2.06 0.00 0.00 59.70 57.53 2fsf h MET 35 Cb -0.03 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.55 2fsf h MET 35 CO -0.03 1.09 0.62 0.93 1.06 0.00 0.00 176.91 180.58 2fsf h GLU 36 N 0.81 0.34 0.00 1.72 5.08 -1.12 -2.60 114.58 118.80 2fsf h GLU 36 Ca 0.09 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2fsf h GLU 36 Cb 0.84 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2fsf h GLU 36 CO 0.07 0.23 -0.23 1.63 -1.00 0.00 0.00 179.01 179.71 2fsf n LYS 37 N -4.49 0.27 -2.38 2.33 4.01 -1.14 -4.87 118.16 111.88 2fsf n LYS 37 Ca 0.20 0.17 -0.40 0.00 -0.51 0.00 0.00 58.31 57.77 2fsf n LYS 37 Cb 0.76 -1.76 -0.04 0.00 -0.51 0.00 0.00 35.03 33.48 2fsf n LYS 37 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2fsf s LEU 38 N -4.42 4.46 0.66 -0.35 1.02 -0.98 -5.04 118.68 114.03 2fsf s LEU 38 Ca 0.09 2.35 -0.16 0.00 0.02 0.00 0.00 54.13 56.43 2fsf s LEU 38 Cb 0.13 -3.71 0.00 0.00 0.02 0.00 0.00 46.19 42.63 2fsf s LEU 38 CO 0.64 -0.30 1.15 -0.94 0.02 0.00 0.00 176.35 176.92 2fsf s SER 39 N -0.86 4.92 0.22 2.29 1.04 -1.26 -4.82 113.70 115.23 2fsf s SER 39 Ca 0.47 2.16 -0.17 0.00 0.48 0.00 0.00 55.95 58.90 2fsf s SER 39 Cb -0.33 -2.57 0.24 0.00 0.10 0.00 0.00 66.02 63.46 2fsf s SER 39 CO 0.43 -1.76 1.57 0.44 0.98 0.00 0.00 173.24 174.89 2fsf h ASP 40 N 0.15 -1.24 -0.29 7.02 5.19 -1.97 0.33 116.42 125.61 2fsf h ASP 40 Ca -0.48 0.28 -0.01 0.00 -0.62 0.00 0.00 57.03 56.20 2fsf h ASP 40 Cb 1.27 0.67 -0.02 0.00 0.18 0.00 0.00 39.33 41.43 2fsf h ASP 40 CO 0.53 -0.29 0.15 -0.08 -3.12 0.00 0.00 179.24 176.42 2fsf h GLU 41 N -0.05 0.46 -0.25 3.56 4.57 -1.93 -1.14 114.58 119.81 2fsf h GLU 41 Ca 0.33 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 58.38 2fsf h GLU 41 Cb 0.60 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 2fsf h GLU 41 CO -0.89 0.37 -0.18 0.93 -1.18 0.00 0.00 179.01 178.07 2fsf h GLU 42 N 0.46 0.55 0.13 1.92 5.08 -1.56 -0.39 114.58 120.77 2fsf h GLU 42 Ca 0.12 -0.27 0.02 0.00 -1.00 0.00 0.00 59.36 58.23 2fsf h GLU 42 Cb 0.07 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 2fsf h GLU 42 CO -0.01 0.84 -0.28 -0.07 -1.00 0.00 0.00 179.01 178.49 2fsf h LEU 43 N 0.27 -0.80 -0.80 1.33 3.38 -0.75 -2.15 115.31 115.78 2fsf h LEU 43 Ca 0.05 0.09 0.19 0.00 0.09 0.00 0.00 57.88 58.30 2fsf h LEU 43 Cb 0.71 0.30 -0.13 0.00 0.09 0.00 0.00 40.66 41.63 2fsf h LEU 43 CO 0.05 -0.37 0.13 0.50 0.09 0.00 0.00 178.44 178.83 2fsf h LYS 44 N -0.50 0.18 0.00 1.13 3.64 -1.09 -1.21 116.57 118.72 2fsf h LYS 44 Ca 0.03 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2fsf h LYS 44 Cb 0.53 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2fsf h LYS 44 CO -0.16 0.12 0.00 0.41 -2.27 0.00 0.00 179.45 177.55 2fsf n GLY 45 N -1.39 -0.82 0.28 5.01 0.00 -0.17 -2.85 105.19 105.25 2fsf n GLY 45 Ca 0.17 0.16 0.01 0.00 0.00 0.00 0.00 46.02 46.36 2fsf n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fsf h LYS 46 N 0.00 0.52 -0.28 1.61 1.79 -0.87 -1.19 116.57 118.15 2fsf h LYS 46 Ca 0.00 -0.08 -0.02 0.00 -2.18 0.00 0.00 60.65 58.37 2fsf h LYS 46 Cb 0.02 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.57 2fsf h LYS 46 CO 0.00 0.48 0.11 1.15 -1.08 0.00 0.00 179.45 180.11 2fsf h THR 47 N 0.51 1.18 -0.64 -0.16 2.02 -1.70 0.64 112.91 114.76 2fsf h THR 47 Ca 0.12 -0.54 -0.08 0.00 0.77 0.00 0.00 66.41 66.68 2fsf h THR 47 Cb 0.20 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 2fsf h THR 47 CO -0.00 0.18 0.10 0.00 0.37 0.00 0.00 175.52 176.17 2fsf h ALA 48 N 0.95 0.96 -0.56 6.16 0.00 -1.66 -0.37 119.26 124.74 2fsf h ALA 48 Ca 0.09 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 2fsf h ALA 48 Cb 0.18 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2fsf h ALA 48 CO -0.01 0.65 -0.06 1.49 0.00 0.00 0.00 179.25 181.32 2fsf h GLU 49 N 0.99 1.01 -0.60 0.00 4.81 -1.00 -1.77 114.58 118.02 2fsf h GLU 49 Ca 0.20 -0.35 -0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2fsf h GLU 49 Cb 0.43 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 2fsf h GLU 49 CO 0.01 1.03 0.37 0.74 -0.73 0.00 0.00 179.01 180.43 2fsf h PHE 50 N 0.91 0.78 -0.77 0.92 0.04 -0.60 -2.25 116.94 115.96 2fsf h PHE 50 Ca 0.15 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.95 2fsf h PHE 50 Cb 0.62 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 38.47 2fsf h PHE 50 CO 0.04 0.52 0.51 0.00 -0.60 0.00 0.00 178.31 178.78 2fsf h ARG 51 N 0.81 0.97 -0.42 1.51 3.08 -0.87 -0.92 114.38 118.55 2fsf h ARG 51 Ca 0.22 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.18 2fsf h ARG 51 Cb -0.04 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.77 2fsf h ARG 51 CO -0.04 0.64 0.15 0.00 -1.07 0.00 0.00 179.97 179.65 2fsf h ALA 52 N 1.53 0.55 -0.23 0.04 0.00 -1.16 -1.97 119.26 118.02 2fsf h ALA 52 Ca 0.29 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2fsf h ALA 52 Cb -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2fsf h ALA 52 CO -0.07 0.17 0.06 0.00 0.00 0.00 0.00 179.25 179.41 2fsf h ARG 53 N 0.54 0.37 -0.96 0.00 3.08 -1.24 -2.39 114.38 113.78 2fsf h ARG 53 Ca 0.14 -0.09 0.11 0.00 0.07 0.00 0.00 59.98 60.21 2fsf h ARG 53 Cb 0.23 -0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.14 2fsf h ARG 53 CO -0.01 0.48 0.59 -0.07 -1.07 0.00 0.00 179.97 179.89 2fsf h LEU 54 N 0.20 0.86 -1.46 3.04 3.38 -1.01 -1.44 115.31 118.88 2fsf h LEU 54 Ca 0.07 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 2fsf h LEU 54 Cb 0.27 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2fsf h LEU 54 CO 0.00 0.47 -0.08 -0.33 0.09 0.00 0.00 178.44 178.59 2fsf h GLU 55 N 0.95 0.26 -0.08 1.13 4.39 -1.12 -0.94 114.58 119.17 2fsf h GLU 55 Ca 0.47 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.12 2fsf h GLU 55 Cb 0.45 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 2fsf h GLU 55 CO -0.26 0.35 0.00 1.63 -1.16 0.00 0.00 179.01 179.57 2fsf n LYS 56 N -4.32 1.25 0.00 2.33 5.02 -0.88 -4.93 118.16 116.63 2fsf n LYS 56 Ca -0.00 -0.38 0.00 0.00 -2.02 0.00 0.00 58.31 55.90 2fsf n LYS 56 Cb 0.23 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 2fsf n LYS 56 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2fsf n GLY 57 N 0.82 0.67 3.64 0.72 0.00 -0.36 -5.06 105.19 105.63 2fsf n GLY 57 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 2fsf n GLY 57 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2fsf n GLU 58 N -1.48 1.01 -3.57 1.61 4.07 -0.60 -4.97 120.64 116.71 2fsf n GLU 58 Ca 0.00 0.39 -0.37 0.00 -0.06 0.00 0.00 57.16 57.12 2fsf n GLU 58 Cb 0.00 -2.26 -0.07 0.00 -0.06 0.00 0.00 31.44 29.06 2fsf n GLU 58 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2fsf s VAL 59 N -1.47 5.26 0.21 6.31 1.01 -1.26 -4.58 120.40 125.88 2fsf s VAL 59 Ca 0.76 0.58 -0.10 0.00 0.00 0.00 0.00 61.98 63.23 2fsf s VAL 59 Cb -0.41 -3.62 0.13 0.00 0.00 0.00 0.00 36.38 32.48 2fsf s VAL 59 CO 0.46 0.47 1.78 0.25 0.00 0.00 0.00 175.10 178.06 2fsf h LEU 60 N 5.92 0.40 -2.20 3.92 5.85 -1.98 -0.73 115.31 126.50 2fsf h LEU 60 Ca -0.46 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 2fsf h LEU 60 Cb 1.19 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 2fsf h LEU 60 CO 0.69 0.26 -0.06 -0.33 -0.34 0.00 0.00 178.44 178.66 2fsf h GLU 61 N 0.55 0.00 0.00 1.25 3.07 -2.00 0.10 114.58 117.55 2fsf h GLU 61 Ca 0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.15 2fsf h GLU 61 Cb 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 2fsf h GLU 61 CO -0.22 0.06 0.00 -0.91 -1.40 0.00 0.00 179.01 176.54 2fsf h ASN 62 N 0.00 0.00 0.47 1.42 2.35 -1.54 -2.91 115.58 115.38 2fsf h ASN 62 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2fsf h ASN 62 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 2fsf h ASN 62 CO 0.01 0.00 -0.33 0.18 -1.65 0.00 0.00 177.43 175.64 2fsf n LEU 63 N -2.75 0.57 -0.09 1.61 4.77 0.35 -4.50 117.00 116.96 2fsf n LEU 63 Ca -0.01 -0.01 -0.08 0.00 -0.03 0.00 0.00 56.01 55.88 2fsf n LEU 63 Cb 0.16 -0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 41.00 2fsf n LEU 63 CO 0.20 0.12 0.98 0.40 -1.33 0.00 0.00 177.39 177.76 2fsf h ILE 64 N 0.38 1.03 0.16 -0.08 2.04 -1.61 0.10 117.51 119.53 2fsf h ILE 64 Ca 0.00 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 2fsf h ILE 64 Cb 0.48 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2fsf h ILE 64 CO 0.00 0.07 -0.08 -0.65 0.00 0.00 0.00 178.15 177.49 2fsf h PRO 65 N 0.37 -0.21 -0.65 2.37 0.11 -1.83 -0.69 132.00 131.47 2fsf h PRO 65 Ca 0.12 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.23 2fsf h PRO 65 Cb 0.00 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.13 2fsf h PRO 65 CO -0.06 -0.13 0.33 0.93 -0.21 0.00 0.00 178.00 178.87 2fsf h GLU 66 N -0.23 0.92 -0.12 1.05 5.08 -1.83 -2.20 114.58 117.25 2fsf h GLU 66 Ca -0.02 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2fsf h GLU 66 Cb 0.18 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2fsf h GLU 66 CO 0.04 0.72 0.07 0.00 -1.00 0.00 0.00 179.01 178.83 2fsf h ALA 67 N 1.16 0.16 -0.71 3.43 0.00 -0.73 -1.24 119.26 121.33 2fsf h ALA 67 Ca 0.23 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2fsf h ALA 67 Cb 0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2fsf h ALA 67 CO -0.03 -0.31 0.47 0.74 0.00 0.00 0.00 179.25 180.12 2fsf h PHE 68 N 0.10 0.89 -0.90 0.00 -1.00 -1.10 -1.30 116.94 113.63 2fsf h PHE 68 Ca 0.04 0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.86 2fsf h PHE 68 Cb 0.07 -0.30 -0.05 0.00 3.61 0.00 0.00 35.95 39.28 2fsf h PHE 68 CO -0.04 0.56 0.59 0.00 -1.61 0.00 0.00 178.31 177.81 2fsf h ALA 69 N 1.26 1.16 -0.15 2.45 0.00 -1.18 -0.17 119.26 122.63 2fsf h ALA 69 Ca 0.26 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2fsf h ALA 69 Cb -0.11 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.33 2fsf h ALA 69 CO -0.06 0.50 -0.06 0.28 0.00 0.00 0.00 179.25 179.91 2fsf h VAL 70 N 1.18 1.30 -0.63 0.00 2.07 -0.88 -1.50 116.25 117.80 2fsf h VAL 70 Ca 0.34 -1.06 -0.09 0.00 0.82 0.00 0.00 66.70 66.71 2fsf h VAL 70 Cb -0.08 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 2fsf h VAL 70 CO -0.09 0.31 0.05 0.58 0.02 0.00 0.00 177.57 178.44 2fsf h VAL 71 N -0.02 1.26 -0.38 2.57 2.07 -1.00 -1.82 116.25 118.93 2fsf h VAL 71 Ca 0.03 -1.09 -0.05 0.00 0.82 0.00 0.00 66.70 66.41 2fsf h VAL 71 Cb 0.51 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2fsf h VAL 71 CO 0.02 0.40 0.01 -0.09 0.02 0.00 0.00 177.57 177.93 2fsf h ARG 72 N 0.98 0.59 -0.19 1.57 2.43 -0.95 -0.76 114.38 118.05 2fsf h ARG 72 Ca 0.18 -0.13 -0.20 0.00 -0.81 0.00 0.00 59.98 59.03 2fsf h ARG 72 Cb 0.50 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2fsf h ARG 72 CO 0.02 0.61 -0.66 1.49 -1.51 0.00 0.00 179.97 179.92 2fsf h GLU 73 N 0.57 0.72 -0.40 0.20 4.57 -1.19 -2.09 114.58 116.97 2fsf h GLU 73 Ca 0.12 -0.52 -0.11 0.00 -1.18 0.00 0.00 59.36 57.67 2fsf h GLU 73 Cb 0.35 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 2fsf h GLU 73 CO 0.01 1.14 -0.18 0.00 -1.18 0.00 0.00 179.01 178.80 2fsf h ALA 74 N 0.73 0.92 -0.66 2.92 0.00 -1.07 -2.09 119.26 120.01 2fsf h ALA 74 Ca -0.02 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 2fsf h ALA 74 Cb 1.26 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2fsf h ALA 74 CO 0.13 0.62 0.15 1.03 0.00 0.00 0.00 179.25 181.19 2fsf h SER 75 N 0.68 0.99 -0.26 0.00 0.87 -0.99 0.15 113.55 114.99 2fsf h SER 75 Ca 0.10 -0.21 0.06 0.00 -1.23 0.00 0.00 61.79 60.52 2fsf h SER 75 Cb 0.68 -0.26 -0.07 0.00 -0.44 0.00 0.00 62.40 62.31 2fsf h SER 75 CO 0.05 0.96 -0.21 0.11 -0.53 0.00 0.00 176.83 177.21 2fsf h LYS 76 N 1.00 -0.19 -0.05 2.24 1.57 -0.87 0.47 116.57 120.74 2fsf h LYS 76 Ca 0.21 0.01 -0.23 0.00 -1.87 0.00 0.00 60.65 58.77 2fsf h LYS 76 Cb 0.36 0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.72 2fsf h LYS 76 CO 0.00 -0.13 -0.90 0.00 -0.57 0.00 0.00 179.45 177.86 2fsf h ARG 77 N -0.20 0.58 0.02 3.15 3.08 -0.80 -1.57 114.38 118.64 2fsf h ARG 77 Ca 0.14 -0.56 -0.16 0.00 0.07 0.00 0.00 59.98 59.47 2fsf h ARG 77 Cb 0.42 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 2fsf h ARG 77 CO -0.38 1.18 -0.85 0.28 -1.07 0.00 0.00 179.97 179.13 2fsf h VAL 78 N 0.36 1.24 0.00 2.04 2.07 -0.63 -3.39 116.25 117.93 2fsf h VAL 78 Ca -0.08 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.17 2fsf h VAL 78 Cb 1.53 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 34.00 2fsf h VAL 78 CO 0.17 0.48 -1.67 0.49 0.02 0.00 0.00 177.57 177.05 2fsf n PHE 79 N -4.41 0.00 -2.18 1.57 3.72 0.15 -4.97 117.46 111.33 2fsf n PHE 79 Ca -0.23 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.06 2fsf n PHE 79 Cb 0.65 -0.34 -0.01 0.00 -0.94 0.00 0.00 39.48 38.85 2fsf n PHE 79 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2fsf n GLY 80 N 1.34 -0.04 2.97 1.37 0.00 -0.10 -4.97 105.19 105.77 2fsf n GLY 80 Ca -0.01 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 2fsf n GLY 80 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2fsf s MET 81 N -4.49 1.55 -0.33 1.61 -1.94 -1.01 -4.90 119.30 109.79 2fsf s MET 81 Ca 0.00 -0.33 -0.11 0.00 -1.71 0.00 0.00 55.69 53.54 2fsf s MET 81 Cb 0.00 -1.39 -0.01 0.00 2.01 0.00 0.00 34.83 35.44 2fsf s MET 81 CO 0.00 -0.07 0.19 0.50 -0.01 0.00 0.00 175.02 175.63 2fsf s ARG 82 N 1.00 3.36 0.21 2.03 3.52 -1.26 -2.17 118.95 125.64 2fsf s ARG 82 Ca -0.08 -0.72 -0.32 0.00 -0.13 0.00 0.00 55.73 54.48 2fsf s ARG 82 Cb -0.15 -3.68 -0.14 0.00 -1.56 0.00 0.00 34.95 29.43 2fsf s ARG 82 CO -0.00 -0.45 1.42 0.72 -0.81 0.00 0.00 175.30 176.18 2fsf n HIS 83 N 5.03 2.10 -1.25 5.12 8.25 -1.26 -4.95 115.22 128.26 2fsf n HIS 83 Ca -0.13 0.42 -0.30 0.00 -0.26 0.00 0.00 57.72 57.45 2fsf n HIS 83 Cb 0.49 -2.46 0.12 0.00 1.12 0.00 0.00 29.99 29.26 2fsf n HIS 83 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2fsf s PHE 84 N 0.17 2.45 0.35 4.41 0.08 -1.26 -4.87 117.98 119.32 2fsf s PHE 84 Ca 0.72 1.35 0.03 0.00 0.12 0.00 0.00 56.93 59.14 2fsf s PHE 84 Cb -0.68 -3.12 0.66 0.00 -0.57 0.00 0.00 43.02 39.31 2fsf s PHE 84 CO 0.47 -2.14 1.99 -0.44 -0.10 0.00 0.00 175.22 175.00 2fsf h ASP 85 N -1.37 0.72 0.58 1.36 5.19 -1.99 -0.47 116.42 120.45 2fsf h ASP 85 Ca -0.47 -0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 55.89 2fsf h ASP 85 Cb 1.26 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 40.60 2fsf h ASP 85 CO 0.54 0.50 -0.19 -0.37 -3.12 0.00 0.00 179.24 176.60 2fsf h VAL 86 N 0.84 0.62 0.01 -1.35 -1.51 -1.92 -2.14 116.25 110.80 2fsf h VAL 86 Ca 0.27 -0.84 -0.25 0.00 -1.23 0.00 0.00 66.70 64.65 2fsf h VAL 86 Cb 0.02 1.55 0.01 0.00 -2.13 0.00 0.00 31.29 30.74 2fsf h VAL 86 CO -0.07 0.18 -1.00 1.56 -1.23 0.00 0.00 177.57 177.01 2fsf h GLN 87 N 0.00 0.53 -0.16 5.19 4.20 -1.45 -1.10 115.11 122.32 2fsf h GLN 87 Ca -0.00 -0.58 0.02 0.00 0.06 0.00 0.00 58.65 58.15 2fsf h GLN 87 Cb 0.53 0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 2fsf h GLN 87 CO 0.02 1.20 0.03 -0.07 -0.67 0.00 0.00 178.83 179.35 2fsf h LEU 88 N 0.29 -0.00 -0.25 1.46 3.38 -0.99 -0.70 115.31 118.50 2fsf h LEU 88 Ca -0.10 0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.93 2fsf h LEU 88 Cb 1.65 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 42.39 2fsf h LEU 88 CO 0.18 0.02 0.00 -0.07 0.09 0.00 0.00 178.44 178.67 2fsf h LEU 89 N 0.09 -0.10 -1.04 1.67 3.38 -1.30 -1.25 115.31 116.76 2fsf h LEU 89 Ca 0.07 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.12 2fsf h LEU 89 Cb 0.07 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 2fsf h LEU 89 CO -0.10 -0.02 0.65 1.23 0.09 0.00 0.00 178.44 180.29 2fsf h GLY 90 N 0.08 1.39 0.72 0.83 0.00 -1.15 -1.62 103.07 103.32 2fsf h GLY 90 Ca 0.12 -0.50 0.07 0.00 0.00 0.00 0.00 47.33 47.02 2fsf h GLY 90 CO -0.20 0.47 0.65 -1.33 0.00 0.00 0.00 176.54 176.13 2fsf h GLY 91 N 1.29 1.53 1.64 4.60 0.00 -0.63 -1.61 103.07 109.89 2fsf h GLY 91 Ca 0.37 -0.47 -0.15 0.00 0.00 0.00 0.00 47.33 47.08 2fsf h GLY 91 CO -0.09 0.32 -0.57 -0.33 0.00 0.00 0.00 176.54 175.87 2fsf h MET 92 N 1.16 0.38 -0.75 4.80 2.86 -0.76 -2.92 114.93 119.70 2fsf h MET 92 Ca 0.44 -0.25 0.03 0.00 -2.06 0.00 0.00 59.70 57.86 2fsf h MET 92 Cb 0.20 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.84 2fsf h MET 92 CO -0.18 0.84 0.48 0.28 1.06 0.00 0.00 176.91 179.39 2fsf h VAL 93 N 0.29 1.12 0.00 -2.22 2.07 -0.87 -2.66 116.25 113.98 2fsf h VAL 93 Ca 0.00 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.20 2fsf h VAL 93 Cb 1.08 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2fsf h VAL 93 CO 0.10 0.17 0.00 0.18 0.02 0.00 0.00 177.57 178.04 2fsf n LEU 94 N -4.62 0.13 0.18 2.57 4.77 -0.64 -1.39 117.00 118.00 2fsf n LEU 94 Ca 0.08 0.53 0.12 0.00 -0.03 0.00 0.00 56.01 56.72 2fsf n LEU 94 Cb 0.07 -0.52 0.16 0.00 -2.33 0.00 0.00 43.42 40.80 2fsf n LEU 94 CO 0.34 -0.32 0.65 -1.13 -1.33 0.00 0.00 177.39 175.59 2fsf h ASN 95 N 0.00 0.00 -1.24 -1.43 -1.24 -1.36 -3.44 115.58 106.87 2fsf h ASN 95 Ca 0.00 -0.01 -0.44 0.00 0.71 0.00 0.00 56.30 56.56 2fsf h ASN 95 Cb 0.26 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.34 2fsf h ASN 95 CO 0.00 0.00 -0.21 -1.61 -1.29 0.00 0.00 177.43 174.32 2fsf s GLU 96 N -3.23 2.67 -1.31 6.67 0.41 -0.49 -4.99 118.70 118.43 2fsf s GLU 96 Ca 0.06 -1.37 -0.17 0.00 -0.41 0.00 0.00 54.97 53.08 2fsf s GLU 96 Cb 0.07 -2.72 0.04 0.00 -1.78 0.00 0.00 34.13 29.74 2fsf s GLU 96 CO 0.69 -0.45 1.89 -2.13 -0.49 0.00 0.00 175.26 174.77 2fsf n ARG 97 N -1.96 2.93 -3.82 1.61 0.63 -1.26 -4.64 116.66 110.14 2fsf n ARG 97 Ca 0.10 -2.99 -0.11 0.00 -0.92 0.00 0.00 57.85 53.93 2fsf n ARG 97 Cb 0.60 -3.45 -0.08 0.00 0.45 0.00 0.00 32.46 29.98 2fsf n ARG 97 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2fsf s ILE 99 N -2.32 5.31 -0.46 0.00 -1.09 0.34 -2.71 121.20 120.26 2fsf s ILE 99 Ca -0.07 0.41 -0.17 0.00 -2.23 0.00 0.00 60.65 58.59 2fsf s ILE 99 Cb -0.02 -3.59 0.05 0.00 -1.58 0.00 0.00 42.46 37.32 2fsf s ILE 99 CO -0.02 0.33 0.46 0.00 -1.23 0.00 0.00 174.94 174.48 2fsf s ALA 100 N 0.97 3.46 -0.39 9.38 0.00 -0.30 -1.20 121.76 133.69 2fsf s ALA 100 Ca 0.13 -1.79 -0.23 0.00 0.00 0.00 0.00 51.96 50.07 2fsf s ALA 100 Cb -0.14 -3.13 0.01 0.00 0.00 0.00 0.00 23.12 19.87 2fsf s ALA 100 CO 0.05 -1.74 0.76 -2.00 0.00 0.00 0.00 175.76 172.83 2fsf s GLU 101 N 2.06 3.65 -0.11 0.00 2.12 -0.54 -2.36 118.70 123.52 2fsf s GLU 101 Ca 0.10 0.16 -0.01 0.00 0.36 0.00 0.00 54.97 55.57 2fsf s GLU 101 Cb -0.20 -3.84 0.03 0.00 0.26 0.00 0.00 34.13 30.37 2fsf s GLU 101 CO 0.11 -0.90 -0.04 -1.64 -0.54 0.00 0.00 175.26 172.24 2fsf s MET 102 N 3.08 1.14 0.43 4.30 -1.94 -0.58 -1.13 119.30 124.61 2fsf s MET 102 Ca 0.30 -0.17 -0.24 0.00 -1.71 0.00 0.00 55.69 53.87 2fsf s MET 102 Cb -0.13 -1.46 -0.10 0.00 2.01 0.00 0.00 34.83 35.15 2fsf s MET 102 CO 0.18 -0.32 1.03 -2.13 -0.01 0.00 0.00 175.02 173.77 2fsf n ARG 103 N 5.01 1.39 -1.67 2.03 0.00 -1.26 -3.33 116.66 118.83 2fsf n ARG 103 Ca -0.10 0.50 -0.43 0.00 -0.00 0.00 0.00 57.85 57.82 2fsf n ARG 103 Cb 0.50 -2.08 -0.01 0.00 0.00 0.00 0.00 32.46 30.87 2fsf n ARG 103 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 2fsf n THR 104 N -0.52 2.04 -0.27 5.15 -1.04 -1.26 -1.24 114.28 117.14 2fsf n THR 104 Ca 0.09 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.60 2fsf n THR 104 Cb 0.40 -1.44 0.00 0.00 -1.82 0.00 0.00 70.33 67.47 2fsf n THR 104 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2fsf n GLY 105 N 0.88 0.99 0.29 3.41 0.00 -1.26 -4.67 105.19 104.83 2fsf n GLY 105 Ca 0.06 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.17 2fsf n GLY 105 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2fsf n GLU 106 N -2.00 1.38 -2.55 1.61 -0.58 -0.37 -4.81 120.64 113.32 2fsf n GLU 106 Ca 0.00 -0.57 -0.05 0.00 -0.42 0.00 0.00 57.16 56.12 2fsf n GLU 106 Cb 0.00 -1.33 0.02 0.00 -0.57 0.00 0.00 31.44 29.56 2fsf n GLU 106 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2fsf n GLY 107 N 0.96 0.39 0.29 0.62 0.00 -1.26 -4.88 105.19 101.30 2fsf n GLY 107 Ca 0.15 -0.38 0.10 0.00 0.00 0.00 0.00 46.02 45.88 2fsf n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fsf h LYS 108 N -0.57 0.28 -0.41 1.61 1.57 -1.91 -2.22 116.57 114.91 2fsf h LYS 108 Ca -0.15 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.56 2fsf h LYS 108 Cb 1.09 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 2fsf h LYS 108 CO 0.13 0.18 0.05 1.15 -0.57 0.00 0.00 179.45 180.39 2fsf h THR 109 N 0.29 1.25 -0.55 -0.16 2.02 -1.97 -2.14 112.91 111.64 2fsf h THR 109 Ca 0.49 -0.92 -0.03 0.00 0.77 0.00 0.00 66.41 66.73 2fsf h THR 109 Cb 0.91 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 68.35 2fsf h THR 109 CO -0.56 0.31 0.23 0.25 0.37 0.00 0.00 175.52 176.12 2fsf h LEU 110 N 0.53 0.72 -0.99 2.58 5.85 -1.91 -3.08 115.31 119.02 2fsf h LEU 110 Ca 0.12 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2fsf h LEU 110 Cb 0.41 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 2fsf h LEU 110 CO 0.01 0.65 0.53 0.74 -0.34 0.00 0.00 178.44 180.03 2fsf h THR 111 N 0.79 1.25 0.00 1.05 2.02 -0.90 -2.68 112.91 114.43 2fsf h THR 111 Ca 0.19 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.80 2fsf h THR 111 Cb 0.14 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.54 2fsf h THR 111 CO -0.02 0.27 0.00 0.00 0.37 0.00 0.00 175.52 176.14 2fsf n ALA 112 N -2.40 1.57 0.18 6.16 0.00 -0.85 -2.30 120.51 122.87 2fsf n ALA 112 Ca 0.10 0.10 0.04 0.00 0.00 0.00 0.00 53.44 53.68 2fsf n ALA 112 Cb 0.07 -1.38 0.35 0.00 0.00 0.00 0.00 19.45 18.49 2fsf n ALA 112 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2fsf h THR 113 N 0.00 1.11 0.48 0.00 1.35 -1.57 -2.87 112.91 111.41 2fsf h THR 113 Ca 0.00 -1.47 -0.02 0.00 -0.55 0.00 0.00 66.41 64.37 2fsf h THR 113 Cb 0.31 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 2fsf h THR 113 CO 0.00 0.39 -0.23 -0.07 -0.25 0.00 0.00 175.52 175.37 2fsf h LEU 114 N 0.00 -0.54 -1.40 3.87 3.38 -1.63 -0.68 115.31 118.30 2fsf h LEU 114 Ca -0.00 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 2fsf h LEU 114 Cb 0.80 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2fsf h LEU 114 CO 0.05 -0.15 -0.30 1.55 0.09 0.00 0.00 178.44 179.69 2fsf h PRO 115 N -1.03 0.00 0.15 1.13 0.13 -1.73 -2.55 132.00 128.09 2fsf h PRO 115 Ca -0.07 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 2fsf h PRO 115 Cb 0.58 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.71 2fsf h PRO 115 CO 0.11 0.30 -0.07 0.00 -0.23 0.00 0.00 178.00 178.11 2fsf h ALA 116 N 1.70 -0.19 -0.32 -0.56 0.00 -1.54 -0.59 119.26 117.75 2fsf h ALA 116 Ca -0.00 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.92 2fsf h ALA 116 Cb 0.54 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.32 2fsf h ALA 116 CO 0.04 -0.59 -0.30 -0.92 0.00 0.00 0.00 179.25 177.48 2fsf h TYR 117 N -0.23 -0.81 -0.53 0.00 3.20 -1.07 -2.36 116.97 115.17 2fsf h TYR 117 Ca -0.02 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 2fsf h TYR 117 Cb 0.18 0.40 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 2fsf h TYR 117 CO -0.06 -0.36 0.20 1.25 -1.64 0.00 0.00 178.16 177.55 2fsf h LEU 118 N -0.27 0.74 0.00 2.82 5.85 -1.35 -2.17 115.31 120.93 2fsf h LEU 118 Ca 0.15 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2fsf h LEU 118 Cb 0.52 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.35 2fsf h LEU 118 CO -0.47 0.71 0.00 0.59 -0.34 0.00 0.00 178.44 178.93 2fsf n ASN 119 N -4.52 0.00 0.14 1.25 3.02 -0.24 -2.46 115.26 112.45 2fsf n ASN 119 Ca 0.02 -0.43 0.12 0.00 -0.03 0.00 0.00 54.58 54.26 2fsf n ASN 119 Cb 0.16 -0.16 0.05 0.00 -0.61 0.00 0.00 39.78 39.23 2fsf n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2fsf h ALA 120 N 3.44 0.66 -0.75 5.41 0.00 -0.83 -3.41 119.26 123.78 2fsf h ALA 120 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2fsf h ALA 120 Cb 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2fsf h ALA 120 CO 0.00 0.01 0.45 -0.07 0.00 0.00 0.00 179.25 179.63 2fsf h LEU 121 N 0.00 0.91 0.00 0.00 3.38 -1.43 -2.50 115.31 115.66 2fsf h LEU 121 Ca -0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2fsf h LEU 121 Cb 1.01 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2fsf h LEU 121 CO 0.00 0.70 0.00 0.35 0.09 0.00 0.00 178.44 179.58 2fsf n THR 122 N -4.38 0.17 -2.06 0.22 -2.24 -1.26 -4.80 114.28 99.93 2fsf n THR 122 Ca 0.08 0.04 -0.05 0.00 -2.27 0.00 0.00 64.05 61.85 2fsf n THR 122 Cb 0.07 -0.70 -0.00 0.00 -2.10 0.00 0.00 70.33 67.60 2fsf n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fsf n GLY 123 N 0.42 0.19 0.23 3.38 0.00 -0.94 -4.94 105.19 103.53 2fsf n GLY 123 Ca 0.13 -0.69 0.05 0.00 0.00 0.00 0.00 46.02 45.52 2fsf n GLY 123 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2fsf n LYS 124 N -1.53 2.09 0.00 1.61 4.76 -1.26 -5.11 118.16 118.72 2fsf n LYS 124 Ca -0.06 -0.60 0.00 0.00 -2.87 0.00 0.00 58.31 54.78 2fsf n LYS 124 Cb 0.53 -1.09 0.00 0.00 -1.84 0.00 0.00 35.03 32.62 2fsf n LYS 124 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2fsf n GLY 125 N 0.92 1.15 2.87 0.72 0.00 -1.26 -4.66 105.19 104.93 2fsf n GLY 125 Ca 0.04 -1.72 -0.20 0.00 0.00 0.00 0.00 46.02 44.14 2fsf n GLY 125 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fsf s VAL 126 N -2.69 0.49 -0.42 1.61 1.01 -1.19 -4.21 120.40 115.01 2fsf s VAL 126 Ca 0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 61.98 61.85 2fsf s VAL 126 Cb 0.00 -0.54 0.10 0.00 0.00 0.00 0.00 36.38 35.94 2fsf s VAL 126 CO 0.00 0.23 0.24 -1.00 0.00 0.00 0.00 175.10 174.57 2fsf s HIS 127 N 1.10 3.46 -0.20 5.22 3.76 -0.21 -1.43 115.29 126.99 2fsf s HIS 127 Ca -0.08 -2.01 -0.26 0.00 -0.15 0.00 0.00 55.06 52.55 2fsf s HIS 127 Cb -0.14 -3.15 -0.01 0.00 1.11 0.00 0.00 32.58 30.40 2fsf s HIS 127 CO -0.01 -0.94 0.89 0.08 -0.85 0.00 0.00 174.74 173.91 2fsf s VAL 128 N 1.28 4.82 -0.25 -0.90 1.01 -0.01 -1.62 120.40 124.74 2fsf s VAL 128 Ca 0.05 1.73 -0.08 0.00 0.00 0.00 0.00 61.98 63.69 2fsf s VAL 128 Cb -0.24 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 2fsf s VAL 128 CO -0.01 -0.05 0.08 -0.69 0.00 0.00 0.00 175.10 174.43 2fsf s VAL 129 N 2.55 4.44 0.32 2.92 1.01 -0.19 -2.19 120.40 129.26 2fsf s VAL 129 Ca 0.39 -0.13 0.09 0.00 0.00 0.00 0.00 61.98 62.34 2fsf s VAL 129 Cb -0.16 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 2fsf s VAL 129 CO 0.10 0.33 0.03 0.42 0.00 0.00 0.00 175.10 175.98 2fsf s THR 130 N 1.60 2.91 -0.41 3.92 -4.23 -0.77 -0.98 115.64 117.69 2fsf s THR 130 Ca 0.06 -1.92 0.22 0.00 -1.18 0.00 0.00 61.69 58.88 2fsf s THR 130 Cb -0.15 -2.82 0.30 0.00 1.34 0.00 0.00 72.50 71.17 2fsf s THR 130 CO 0.04 -0.25 1.57 -0.37 -0.54 0.00 0.00 174.62 175.08 2fsf h VAL 131 N 1.79 0.07 -3.05 2.29 -1.51 -1.96 -3.24 116.25 110.64 2fsf h VAL 131 Ca -0.43 -1.10 -0.07 0.00 -1.23 0.00 0.00 66.70 63.87 2fsf h VAL 131 Cb 1.25 2.02 -0.00 0.00 -2.13 0.00 0.00 31.29 32.42 2fsf h VAL 131 CO 0.64 0.04 0.17 -0.46 -1.23 0.00 0.00 177.57 176.73 2fsf n ASN 132 N -3.09 -1.87 0.06 4.19 0.23 -1.26 -4.91 115.26 108.61 2fsf n ASN 132 Ca 0.04 -2.46 -0.11 0.00 -0.53 0.00 0.00 54.58 51.51 2fsf n ASN 132 Cb 0.55 3.17 -0.13 0.00 -2.08 0.00 0.00 39.78 41.28 2fsf n ASN 132 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2fsf h ASP 133 N 1.75 0.19 -0.00 0.53 3.32 -1.97 -2.45 116.42 117.78 2fsf h ASP 133 Ca -0.29 -0.22 0.03 0.00 0.02 0.00 0.00 57.03 56.57 2fsf h ASP 133 Cb 1.08 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.54 2fsf h ASP 133 CO 0.37 1.18 -0.19 0.22 -1.72 0.00 0.00 179.24 179.10 2fsf h TYR 134 N 0.03 -0.49 -0.89 4.55 3.20 -2.00 -1.94 116.97 119.44 2fsf h TYR 134 Ca -0.12 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.77 2fsf h TYR 134 Cb 1.90 0.22 -0.04 0.00 1.54 0.00 0.00 36.73 40.34 2fsf h TYR 134 CO 0.03 -0.27 0.55 -0.07 -1.64 0.00 0.00 178.16 176.76 2fsf h LEU 135 N -0.30 1.05 0.14 2.82 3.38 -1.97 -0.41 115.31 120.02 2fsf h LEU 135 Ca 0.06 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2fsf h LEU 135 Cb 0.38 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2fsf h LEU 135 CO -0.18 0.79 -0.23 0.00 0.09 0.00 0.00 178.44 178.91 2fsf h ALA 136 N 1.39 -0.41 -0.45 1.53 0.00 -1.28 -0.78 119.26 119.27 2fsf h ALA 136 Ca 0.32 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 2fsf h ALA 136 Cb -0.08 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2fsf h ALA 136 CO -0.06 -0.77 -0.08 1.96 0.00 0.00 0.00 179.25 180.30 2fsf h GLN 137 N -0.44 0.85 -0.07 0.00 4.20 -1.08 -1.66 115.11 116.91 2fsf h GLN 137 Ca 0.02 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.41 2fsf h GLN 137 Cb 0.45 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.17 2fsf h GLN 137 CO -0.11 0.94 0.01 -0.09 -0.67 0.00 0.00 178.83 178.91 2fsf h ARG 138 N 0.69 0.12 -0.24 1.46 2.43 -1.00 -1.96 114.38 115.87 2fsf h ARG 138 Ca 0.12 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.29 2fsf h ARG 138 Cb 0.61 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 2fsf h ARG 138 CO 0.04 0.36 0.05 -0.44 -1.51 0.00 0.00 179.97 178.47 2fsf h ASP 139 N -0.13 0.01 -0.11 -3.80 3.32 -1.18 0.12 116.42 114.65 2fsf h ASP 139 Ca 0.02 0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.15 2fsf h ASP 139 Cb 0.30 0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.83 2fsf h ASP 139 CO 0.00 0.04 -0.33 0.00 -1.72 0.00 0.00 179.24 177.23 2fsf h ALA 140 N 1.18 -0.42 -0.43 3.45 0.00 -1.34 0.28 119.26 121.98 2fsf h ALA 140 Ca 0.11 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2fsf h ALA 140 Cb 0.11 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2fsf h ALA 140 CO -0.15 -0.82 0.02 0.93 0.00 0.00 0.00 179.25 179.23 2fsf h GLU 141 N -0.42 0.76 -0.72 0.00 4.39 -1.26 -0.46 114.58 116.86 2fsf h GLU 141 Ca 0.09 -0.23 -0.05 0.00 0.34 0.00 0.00 59.36 59.51 2fsf h GLU 141 Cb 0.56 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 2fsf h GLU 141 CO -0.34 0.82 0.27 -0.91 -1.16 0.00 0.00 179.01 177.68 2fsf h ASN 142 N 0.60 1.00 1.49 1.42 2.35 -0.66 -3.20 115.58 118.58 2fsf h ASN 142 Ca 0.13 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2fsf h ASN 142 Cb 0.46 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.57 2fsf h ASN 142 CO 0.02 0.90 -0.29 0.78 -1.65 0.00 0.00 177.43 177.19 2fsf h ASN 143 N 1.05 0.00 -0.91 5.81 2.35 -0.85 -3.38 115.58 119.66 2fsf h ASN 143 Ca 0.24 -0.04 0.09 0.00 -0.55 0.00 0.00 56.30 56.05 2fsf h ASN 143 Cb 0.23 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.52 2fsf h ASN 143 CO -0.02 0.02 0.55 -0.09 -1.65 0.00 0.00 177.43 176.24 2fsf h ARG 144 N 0.00 0.90 0.00 0.81 2.43 -1.07 0.75 114.38 118.21 2fsf h ARG 144 Ca 0.00 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 2fsf h ARG 144 Cb 0.89 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 2fsf h ARG 144 CO 0.00 0.60 -0.18 -1.00 -1.51 0.00 0.00 179.97 177.87 2fsf h PRO 145 N 0.93 0.00 0.21 0.20 0.13 -1.76 -0.23 132.00 131.48 2fsf h PRO 145 Ca 0.43 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.55 2fsf h PRO 145 Cb 0.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.48 2fsf h PRO 145 CO -0.23 0.18 -0.10 1.25 -0.23 0.00 0.00 178.00 178.87 2fsf h LEU 146 N 0.00 -0.24 -1.86 1.56 5.85 -1.17 -2.16 115.31 117.28 2fsf h LEU 146 Ca -0.00 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 2fsf h LEU 146 Cb 0.60 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 2fsf h LEU 146 CO 0.02 0.29 -0.07 -0.26 -0.34 0.00 0.00 178.44 178.08 2fsf h PHE 147 N -1.00 0.00 -0.23 1.25 0.04 -1.11 -2.71 116.94 113.18 2fsf h PHE 147 Ca -0.03 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.60 2fsf h PHE 147 Cb 0.42 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 2fsf h PHE 147 CO 0.05 0.07 -0.45 0.93 -0.60 0.00 0.00 178.31 178.31 2fsf h GLU 148 N 0.00 0.60 -0.56 1.51 5.08 -1.03 -0.50 114.58 119.68 2fsf h GLU 148 Ca -0.00 -0.33 0.12 0.00 -1.00 0.00 0.00 59.36 58.15 2fsf h GLU 148 Cb 0.13 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2fsf h GLU 148 CO 0.01 0.93 0.39 0.35 -1.00 0.00 0.00 179.01 179.68 2fsf h PHE 149 N 0.48 0.26 -0.57 4.33 3.57 -1.08 -1.57 116.94 122.35 2fsf h PHE 149 Ca 0.03 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2fsf h PHE 149 Cb 0.98 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.64 2fsf h PHE 149 CO 0.04 0.11 0.00 1.28 -2.23 0.00 0.00 178.31 177.52 2fsf n LEU 150 N -4.44 5.25 -2.12 0.59 4.77 -0.69 -3.78 117.00 116.58 2fsf n LEU 150 Ca 0.10 -2.66 -0.16 0.00 -0.03 0.00 0.00 56.01 53.26 2fsf n LEU 150 Cb 0.47 -0.65 0.02 0.00 -2.33 0.00 0.00 43.42 40.93 2fsf n LEU 150 CO 0.35 0.66 -0.05 0.61 -1.33 0.00 0.00 177.39 177.63 2fsf n GLY 151 N 0.75 -0.21 3.43 -0.72 0.00 -0.59 -4.60 105.19 103.26 2fsf n GLY 151 Ca 0.26 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 2fsf n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fsf s LEU 152 N -4.83 2.53 0.19 0.99 1.43 -0.28 -5.01 118.68 113.71 2fsf s LEU 152 Ca 0.17 -0.97 0.08 0.00 -1.03 0.00 0.00 54.13 52.37 2fsf s LEU 152 Cb -0.07 -1.04 -0.04 0.00 0.03 0.00 0.00 46.19 45.07 2fsf s LEU 152 CO 0.21 0.03 -0.03 0.42 0.23 0.00 0.00 176.35 177.20 2fsf s THR 153 N -2.32 3.53 -0.07 5.49 -4.23 -1.26 -3.34 115.64 113.43 2fsf s THR 153 Ca 0.26 -1.56 0.03 0.00 -1.18 0.00 0.00 61.69 59.24 2fsf s THR 153 Cb -0.05 -2.78 0.01 0.00 1.34 0.00 0.00 72.50 71.01 2fsf s THR 153 CO 0.12 -0.15 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.21 2fsf s VAL 154 N -1.80 1.41 0.30 2.29 1.01 -1.26 -1.96 120.40 120.39 2fsf s VAL 154 Ca 0.27 -0.65 0.10 0.00 0.00 0.00 0.00 61.98 61.70 2fsf s VAL 154 Cb -0.09 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 2fsf s VAL 154 CO 0.18 0.41 -0.08 -0.83 0.00 0.00 0.00 175.10 174.79 2fsf s GLY 155 N 0.47 1.91 -0.06 4.51 0.00 0.14 -4.97 107.32 109.32 2fsf s GLY 155 Ca -0.14 -1.87 0.01 0.00 0.00 0.00 0.00 44.72 42.73 2fsf s GLY 155 CO 0.05 -1.89 -0.08 -1.50 0.00 0.00 0.00 173.10 169.68 2fsf s ILE 156 N -2.47 0.86 -0.13 0.90 1.10 -1.26 -1.47 121.20 118.72 2fsf s ILE 156 Ca 0.32 -0.30 -0.00 0.00 -0.51 0.00 0.00 60.65 60.16 2fsf s ILE 156 Cb -0.03 -0.84 -0.01 0.00 0.15 0.00 0.00 42.46 41.73 2fsf s ILE 156 CO 0.18 0.30 -0.13 0.21 -2.11 0.00 0.00 174.94 173.39 2fsf s ASN 157 N 0.93 4.01 0.04 4.50 2.47 -0.67 -4.78 114.94 121.44 2fsf s ASN 157 Ca -0.10 -0.33 0.02 0.00 0.42 0.00 0.00 52.86 52.87 2fsf s ASN 157 Cb -0.15 -1.61 -0.02 0.00 -1.45 0.00 0.00 41.25 38.02 2fsf s ASN 157 CO 0.01 0.16 -0.08 -0.76 -3.72 0.00 0.00 177.10 172.71 2fsf s LEU 158 N 0.40 2.25 0.26 3.21 1.43 -1.26 -4.49 118.68 120.48 2fsf s LEU 158 Ca -0.10 -0.53 -0.31 0.00 -1.03 0.00 0.00 54.13 52.16 2fsf s LEU 158 Cb -0.16 -0.16 -0.13 0.00 0.03 0.00 0.00 46.19 45.77 2fsf s LEU 158 CO 0.05 -0.20 1.45 -0.81 0.23 0.00 0.00 176.35 177.08 2fsf n PRO 159 N 1.53 2.23 -0.31 1.29 -0.04 -1.26 -2.28 135.00 136.16 2fsf n PRO 159 Ca -0.22 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.03 2fsf n PRO 159 Cb 0.55 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 2fsf n PRO 159 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2fsf n GLY 160 N 2.02 1.38 3.75 0.55 0.00 -1.26 -5.03 105.19 106.61 2fsf n GLY 160 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2fsf n GLY 160 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2fsf s MET 161 N -0.36 4.44 0.70 1.61 0.00 -0.97 -4.96 119.30 119.76 2fsf s MET 161 Ca 0.00 2.02 -0.16 0.00 0.00 0.00 0.00 55.69 57.56 2fsf s MET 161 Cb 0.00 -3.17 0.02 0.00 0.00 0.00 0.00 34.83 31.68 2fsf s MET 161 CO 0.00 -0.13 1.20 -2.14 0.00 0.00 0.00 175.02 173.94 2fsf s PRO 162 N -0.77 2.35 0.20 4.11 0.02 -1.26 -4.71 135.00 134.94 2fsf s PRO 162 Ca 0.52 1.73 -0.10 0.00 0.02 0.00 0.00 61.00 63.17 2fsf s PRO 162 Cb -0.36 -1.86 0.23 0.00 0.02 0.00 0.00 34.50 32.53 2fsf s PRO 162 CO 0.42 -1.67 1.78 0.00 -0.33 0.00 0.00 177.00 177.20 2fsf h ALA 163 N -0.07 0.79 -0.76 -1.55 0.00 -1.99 0.09 119.26 115.78 2fsf h ALA 163 Ca -0.48 0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.55 2fsf h ALA 163 Cb 1.29 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 2fsf h ALA 163 CO 0.51 -0.09 0.43 -1.35 0.00 0.00 0.00 179.25 178.75 2fsf h PRO 164 N 0.53 0.73 -0.12 0.00 0.11 -1.99 -0.89 132.00 130.37 2fsf h PRO 164 Ca 0.28 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.37 2fsf h PRO 164 Cb 0.26 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.18 2fsf h PRO 164 CO -0.23 0.48 -0.01 0.00 -0.21 0.00 0.00 178.00 178.04 2fsf h ALA 165 N 1.41 0.09 -0.54 -0.75 0.00 -1.83 -0.60 119.26 117.04 2fsf h ALA 165 Ca 0.35 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.40 2fsf h ALA 165 Cb 0.27 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.03 2fsf h ALA 165 CO -0.22 -0.46 -0.06 0.87 0.00 0.00 0.00 179.25 179.38 2fsf h LYS 166 N 0.03 0.05 -0.84 0.00 1.57 -0.78 -0.80 116.57 115.81 2fsf h LYS 166 Ca 0.05 -0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.90 2fsf h LYS 166 Cb 0.07 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.30 2fsf h LYS 166 CO -0.10 0.04 0.51 0.00 -0.57 0.00 0.00 179.45 179.33 2fsf h ARG 167 N 0.06 0.90 -0.59 3.15 3.08 -0.73 -0.44 114.38 119.80 2fsf h ARG 167 Ca 0.27 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.27 2fsf h ARG 167 Cb 0.42 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 2fsf h ARG 167 CO -0.50 0.59 0.38 0.93 -1.07 0.00 0.00 179.97 180.30 2fsf h GLU 168 N 0.92 0.79 -0.69 0.04 5.08 -0.60 0.40 114.58 120.53 2fsf h GLU 168 Ca 0.37 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.64 2fsf h GLU 168 Cb 0.20 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2fsf h GLU 168 CO -0.18 0.54 0.30 0.00 -1.00 0.00 0.00 179.01 178.67 2fsf h ALA 169 N 1.20 0.89 0.00 3.43 0.00 -0.28 -2.11 119.26 122.39 2fsf h ALA 169 Ca 0.22 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2fsf h ALA 169 Cb -0.06 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 2fsf h ALA 169 CO -0.04 0.48 -0.01 1.88 0.00 0.00 0.00 179.25 181.56 2fsf h TYR 170 N 0.96 0.00 0.00 0.00 -1.99 -0.79 -3.18 116.97 111.97 2fsf h TYR 170 Ca 0.23 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.96 2fsf h TYR 170 Cb 0.16 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.89 2fsf h TYR 170 CO 0.01 0.01 -0.09 0.00 -0.00 0.00 0.00 178.16 178.09 2fsf h ALA 171 N 1.99 0.94 -2.43 3.88 0.00 -0.28 -3.45 119.26 119.91 2fsf h ALA 171 Ca -0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 2fsf h ALA 171 Cb 0.78 0.00 0.16 0.00 0.00 0.00 0.00 17.79 18.74 2fsf h ALA 171 CO 0.00 0.00 0.31 0.00 0.00 0.00 0.00 179.25 179.56 2fsf s ALA 172 N -3.12 1.94 0.28 0.00 0.00 -0.91 -4.94 121.76 115.00 2fsf s ALA 172 Ca 0.10 0.61 -0.01 0.00 0.00 0.00 0.00 51.96 52.65 2fsf s ALA 172 Cb 0.12 -3.41 0.47 0.00 0.00 0.00 0.00 23.12 20.30 2fsf s ALA 172 CO 0.62 -2.13 1.89 -0.44 0.00 0.00 0.00 175.76 175.70 2fsf h ASP 173 N -1.04 0.99 -3.61 0.00 3.32 -1.77 -3.43 116.42 110.87 2fsf h ASP 173 Ca -0.45 0.01 -0.26 0.00 0.02 0.00 0.00 57.03 56.35 2fsf h ASP 173 Cb 1.27 -0.20 -0.31 0.00 0.22 0.00 0.00 39.33 40.31 2fsf h ASP 173 CO 0.47 0.62 -0.71 -0.63 -1.72 0.00 0.00 179.24 177.28 2fsf s ILE 174 N -5.98 -0.03 0.06 0.35 1.01 -0.83 -3.16 121.20 112.62 2fsf s ILE 174 Ca -0.12 0.11 0.09 0.00 0.00 0.00 0.00 60.65 60.73 2fsf s ILE 174 Cb 0.20 -0.07 -0.03 0.00 0.01 0.00 0.00 42.46 42.57 2fsf s ILE 174 CO 0.81 0.05 -0.22 -0.89 0.00 0.00 0.00 174.94 174.69 2fsf s THR 175 N 0.59 2.52 -0.04 2.92 2.01 -0.51 0.27 115.64 123.40 2fsf s THR 175 Ca -0.05 -1.37 0.05 0.00 0.31 0.00 0.00 61.69 60.63 2fsf s THR 175 Cb -0.07 -2.06 -0.01 0.00 0.01 0.00 0.00 72.50 70.38 2fsf s THR 175 CO -0.02 0.28 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.69 2fsf s TYR 176 N -0.94 1.90 -0.06 4.92 2.02 -0.54 -0.83 117.35 123.83 2fsf s TYR 176 Ca 0.14 -0.52 -0.32 0.00 -0.37 0.00 0.00 57.07 56.01 2fsf s TYR 176 Cb -0.10 -1.26 0.13 0.00 -0.40 0.00 0.00 41.96 40.33 2fsf s TYR 176 CO 0.05 -0.15 1.34 0.20 -1.57 0.00 0.00 175.55 175.41 2fsf s GLY 177 N -0.10 -0.44 0.68 0.71 0.00 -0.93 -1.68 107.32 105.57 2fsf s GLY 177 Ca -0.02 0.85 -0.11 0.00 0.00 0.00 0.00 44.72 45.44 2fsf s GLY 177 CO 0.02 0.17 1.07 -0.51 0.00 0.00 0.00 173.10 173.85 2fsf s THR 178 N -2.28 3.66 0.22 0.90 -4.23 -1.26 -1.84 115.64 110.81 2fsf s THR 178 Ca 0.14 0.49 -0.08 0.00 -1.18 0.00 0.00 61.69 61.06 2fsf s THR 178 Cb 0.05 -3.53 0.17 0.00 1.34 0.00 0.00 72.50 70.54 2fsf s THR 178 CO -0.05 -0.68 1.73 -0.55 -0.54 0.00 0.00 174.62 174.53 2fsf h ASN 179 N -0.57 0.20 -0.47 3.99 -1.07 -1.91 -2.52 115.58 113.24 2fsf h ASN 179 Ca -0.45 0.10 0.02 0.00 0.07 0.00 0.00 56.30 56.03 2fsf h ASN 179 Cb 1.25 0.09 -0.03 0.00 -2.07 0.00 0.00 38.32 37.55 2fsf h ASN 179 CO 0.63 0.10 0.29 0.78 0.07 0.00 0.00 177.43 179.31 2fsf h ASN 180 N 0.40 0.49 -0.03 6.14 2.35 -1.93 -1.78 115.58 121.21 2fsf h ASN 180 Ca 0.35 -0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.91 2fsf h ASN 180 Cb 0.48 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 2fsf h ASN 180 CO -0.36 0.35 -0.65 -0.08 -1.65 0.00 0.00 177.43 175.04 2fsf h GLU 181 N 0.59 0.65 0.03 0.81 4.57 -1.89 -1.16 114.58 118.18 2fsf h GLU 181 Ca 0.18 -0.47 0.03 0.00 -1.18 0.00 0.00 59.36 57.93 2fsf h GLU 181 Cb -0.02 0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.60 2fsf h GLU 181 CO -0.07 1.09 -0.33 1.88 -1.18 0.00 0.00 179.01 180.40 2fsf h TYR 182 N 0.47 -0.90 -0.28 0.92 0.05 -1.36 -1.11 116.97 114.77 2fsf h TYR 182 Ca -0.02 0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.85 2fsf h TYR 182 Cb 1.24 0.39 -0.05 0.00 1.01 0.00 0.00 36.73 39.32 2fsf h TYR 182 CO 0.06 -0.42 -0.06 0.78 -1.05 0.00 0.00 178.16 177.47 2fsf h GLY 183 N -0.50 0.21 1.15 3.88 0.00 -1.24 -2.07 103.07 104.51 2fsf h GLY 183 Ca 0.05 0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 2fsf h GLY 183 CO -0.25 -0.10 0.41 0.74 0.00 0.00 0.00 176.54 177.34 2fsf h PHE 184 N 0.01 1.09 -0.87 5.60 0.04 -1.15 -1.88 116.94 119.79 2fsf h PHE 184 Ca 0.13 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.85 2fsf h PHE 184 Cb 0.20 -0.35 -0.04 0.00 2.20 0.00 0.00 35.95 37.96 2fsf h PHE 184 CO -0.26 0.77 0.48 -0.44 -0.60 0.00 0.00 178.31 178.26 2fsf h ASP 185 N 1.11 1.08 0.09 2.17 3.32 -0.92 -1.03 116.42 122.23 2fsf h ASP 185 Ca 0.27 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 2fsf h ASP 185 Cb 0.06 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 2fsf h ASP 185 CO -0.04 0.86 -0.06 0.22 -1.72 0.00 0.00 179.24 178.50 2fsf h TYR 186 N 1.21 -0.16 -0.57 4.55 3.20 -0.89 -0.17 116.97 124.13 2fsf h TYR 186 Ca 0.31 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.21 2fsf h TYR 186 Cb 0.02 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 2fsf h TYR 186 CO 0.01 -0.10 0.33 -0.07 -1.64 0.00 0.00 178.16 176.69 2fsf h LEU 187 N -0.15 0.52 -0.58 2.82 3.38 -1.08 -2.56 115.31 117.66 2fsf h LEU 187 Ca -0.00 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 2fsf h LEU 187 Cb 0.14 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2fsf h LEU 187 CO -0.00 0.35 -0.51 0.03 0.09 0.00 0.00 178.44 178.40 2fsf h ARG 188 N 0.64 0.53 -0.51 1.13 3.08 -1.04 -2.13 114.38 116.08 2fsf h ARG 188 Ca 0.24 -0.32 0.10 0.00 0.07 0.00 0.00 59.98 60.07 2fsf h ARG 188 Cb 0.08 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 2fsf h ARG 188 CO -0.13 0.92 0.35 -0.44 -1.07 0.00 0.00 179.97 179.60 2fsf h ASP 189 N 0.41 0.25 -0.37 7.04 5.19 -0.92 0.01 116.42 128.03 2fsf h ASP 189 Ca 0.02 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 2fsf h ASP 189 Cb 1.04 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.50 2fsf h ASP 189 CO 0.10 0.15 0.00 0.59 -3.12 0.00 0.00 179.24 176.96 2fsf n ASN 190 N -4.46 2.52 -0.36 6.45 3.02 -0.83 -2.80 115.26 118.79 2fsf n ASN 190 Ca 0.08 -2.14 0.04 0.00 -0.03 0.00 0.00 54.58 52.53 2fsf n ASN 190 Cb 0.38 -0.36 0.07 0.00 -0.61 0.00 0.00 39.78 39.26 2fsf n ASN 190 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2fsf n MET 191 N 0.58 1.42 -2.56 3.52 2.81 -0.02 -5.06 117.12 117.81 2fsf n MET 191 Ca 0.14 -1.39 -0.34 0.00 -1.81 0.00 0.00 57.70 54.30 2fsf n MET 191 Cb 0.45 -1.16 -0.04 0.00 -0.71 0.00 0.00 33.22 31.76 2fsf n MET 191 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2fsf s ALA 192 N -0.81 2.90 -1.98 3.04 0.00 -1.12 -4.96 121.76 118.83 2fsf s ALA 192 Ca 0.12 0.55 0.19 0.00 0.00 0.00 0.00 51.96 52.82 2fsf s ALA 192 Cb 0.07 -3.23 0.06 0.00 0.00 0.00 0.00 23.12 20.02 2fsf s ALA 192 CO 0.10 -0.27 1.01 1.19 0.00 0.00 0.00 175.76 177.79 2fsf n PHE 193 N -0.99 0.00 -3.93 0.00 3.01 -1.26 -4.95 117.46 109.34 2fsf n PHE 193 Ca 0.09 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.45 2fsf n PHE 193 Cb 0.53 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.89 2fsf n PHE 193 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2fsf s SER 194 N -1.92 0.15 0.53 4.37 1.04 -1.26 -4.97 113.70 111.64 2fsf s SER 194 Ca 0.18 -0.39 0.31 0.00 0.48 0.00 0.00 55.95 56.53 2fsf s SER 194 Cb 0.15 0.15 1.46 0.00 0.10 0.00 0.00 66.02 67.89 2fsf s SER 194 CO 0.38 -0.35 2.04 1.55 0.98 0.00 0.00 173.24 177.84 2fsf h PRO 195 N 4.38 0.00 0.00 4.02 0.13 -1.93 -2.18 132.00 136.42 2fsf h PRO 195 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2fsf h PRO 195 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2fsf h PRO 195 CO 0.42 0.09 0.00 1.05 -0.23 0.00 0.00 178.00 179.33 2fsf h GLU 196 N 0.00 0.00 0.00 0.86 9.09 -1.96 -2.41 114.58 120.16 2fsf h GLU 196 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2fsf h GLU 196 Cb 0.42 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.52 2fsf h GLU 196 CO 0.01 0.00 0.00 0.93 0.05 0.00 0.00 179.01 180.00 2fsf h GLU 197 N 0.00 0.00 -7.03 1.06 5.08 -1.81 -3.46 114.58 108.42 2fsf h GLU 197 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 2fsf h GLU 197 Cb 0.55 0.00 0.12 0.00 0.50 0.00 0.00 28.75 29.92 2fsf h GLU 197 CO 0.00 0.00 0.60 1.03 -1.00 0.00 0.00 179.01 179.64 2fsf s ARG 198 N -3.30 3.34 -0.08 2.33 0.52 -0.91 -4.95 118.95 115.90 2fsf s ARG 198 Ca 0.06 2.18 0.13 0.00 -0.52 0.00 0.00 55.73 57.58 2fsf s ARG 198 Cb 0.09 -2.35 -0.19 0.00 0.52 0.00 0.00 34.95 33.02 2fsf s ARG 198 CO 0.55 -1.01 0.17 1.33 0.02 0.00 0.00 175.30 176.36 2fsf n VAL 199 N -0.79 0.46 -2.82 3.52 0.24 -1.26 -4.92 118.33 112.76 2fsf n VAL 199 Ca 0.09 -0.44 -0.25 0.00 -2.04 0.00 0.00 64.34 61.71 2fsf n VAL 199 Cb 0.45 -0.26 0.01 0.00 -1.47 0.00 0.00 33.84 32.58 2fsf n VAL 199 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2fsf s GLN 200 N -2.62 3.14 0.55 7.34 -0.21 -1.26 -4.33 119.66 122.26 2fsf s GLN 200 Ca -0.06 -0.25 0.09 0.00 0.02 0.00 0.00 55.36 55.17 2fsf s GLN 200 Cb 0.06 -2.47 0.07 0.00 1.00 0.00 0.00 33.01 31.68 2fsf s GLN 200 CO 0.55 -0.33 0.75 1.03 -2.12 0.00 0.00 175.29 175.17 2fsf s ARG 201 N -4.67 2.38 0.36 2.91 0.52 -1.26 -5.07 118.95 114.12 2fsf s ARG 201 Ca 0.49 -1.59 -0.27 0.00 -0.52 0.00 0.00 55.73 53.84 2fsf s ARG 201 Cb -0.10 -2.66 -0.12 0.00 0.52 0.00 0.00 34.95 32.59 2fsf s ARG 201 CO 0.41 -0.77 1.22 1.17 0.02 0.00 0.00 175.30 177.34 2fsf n LYS 202 N -2.18 1.90 -2.73 3.54 4.81 -1.26 -4.84 118.16 117.40 2fsf n LYS 202 Ca 0.14 0.67 -0.43 0.00 -0.87 0.00 0.00 58.31 57.83 2fsf n LYS 202 Cb 0.61 -2.24 -0.03 0.00 0.02 0.00 0.00 35.03 33.39 2fsf n LYS 202 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2fsf s LEU 203 N -0.88 3.83 -0.18 3.14 1.43 -1.26 -4.89 118.68 119.86 2fsf s LEU 203 Ca 0.58 -0.22 -0.16 0.00 -1.03 0.00 0.00 54.13 53.29 2fsf s LEU 203 Cb -0.57 -2.91 -0.06 0.00 0.03 0.00 0.00 46.19 42.67 2fsf s LEU 203 CO 0.61 -1.37 -0.30 1.57 0.23 0.00 0.00 176.35 177.09 2fsf n HIS 204 N 7.94 0.23 -3.73 0.29 -0.00 -1.26 -2.36 115.22 116.33 2fsf n HIS 204 Ca 0.04 0.10 -0.15 0.00 -0.00 0.00 0.00 57.72 57.70 2fsf n HIS 204 Cb 0.48 -0.60 -0.16 0.00 -0.00 0.00 0.00 29.99 29.71 2fsf n HIS 204 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 2fsf s TYR 205 N -2.73 -0.08 -0.14 1.57 5.04 -1.26 -1.15 117.35 118.60 2fsf s TYR 205 Ca -0.26 0.38 0.02 0.00 -2.44 0.00 0.00 57.07 54.76 2fsf s TYR 205 Cb 0.04 -0.22 0.01 0.00 0.35 0.00 0.00 41.96 42.15 2fsf s TYR 205 CO 0.39 -0.17 -0.19 0.00 -1.34 0.00 0.00 175.55 174.24 2fsf s ALA 206 N 1.51 2.11 -0.30 3.97 0.00 -0.87 -1.05 121.76 127.13 2fsf s ALA 206 Ca -0.05 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 50.87 2fsf s ALA 206 Cb -0.12 -1.01 0.05 0.00 0.00 0.00 0.00 23.12 22.04 2fsf s ALA 206 CO -0.05 -0.14 -0.01 -1.17 0.00 0.00 0.00 175.76 174.39 2fsf s LEU 207 N 1.02 3.84 -0.21 0.00 2.96 -0.64 -1.30 118.68 124.34 2fsf s LEU 207 Ca -0.03 -1.26 -0.08 0.00 -0.22 0.00 0.00 54.13 52.53 2fsf s LEU 207 Cb -0.15 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 2fsf s LEU 207 CO -0.05 -0.25 0.09 -0.69 -1.32 0.00 0.00 176.35 174.13 2fsf s VAL 208 N 1.25 4.86 0.18 1.68 1.01 0.34 -1.02 120.40 128.69 2fsf s VAL 208 Ca -0.05 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.01 2fsf s VAL 208 Cb -0.20 -3.23 -0.13 0.00 0.00 0.00 0.00 36.38 32.82 2fsf s VAL 208 CO -0.01 0.40 1.42 0.44 0.00 0.00 0.00 175.10 177.35 2fsf h ASP 209 N 7.22 0.00 -2.65 3.32 3.32 -1.34 -1.80 116.42 124.50 2fsf h ASP 209 Ca -0.37 -0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.21 2fsf h ASP 209 Cb 1.17 -0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.34 2fsf h ASP 209 CO 0.66 0.84 -0.73 -1.61 -1.72 0.00 0.00 179.24 176.68 2fsf s GLU 210 N -3.09 0.21 0.35 3.56 2.02 -1.23 -4.40 118.70 116.11 2fsf s GLU 210 Ca -0.00 -0.36 0.24 0.00 0.02 0.00 0.00 54.97 54.87 2fsf s GLU 210 Cb 0.11 -1.11 0.38 0.00 0.10 0.00 0.00 34.13 33.61 2fsf s GLU 210 CO 0.80 -0.97 1.55 -0.39 0.02 0.00 0.00 175.26 176.26 2fsf h VAL 211 N 6.37 0.00 -0.13 2.63 -1.51 -1.53 -2.83 116.25 119.24 2fsf h VAL 211 Ca -0.18 -0.88 -0.00 0.00 -1.23 0.00 0.00 66.70 64.41 2fsf h VAL 211 Cb 1.05 1.79 -0.01 0.00 -2.13 0.00 0.00 31.29 31.99 2fsf h VAL 211 CO 0.39 0.00 0.07 0.44 -1.23 0.00 0.00 177.57 177.24 2fsf h ASP 212 N 0.00 0.17 0.01 4.19 3.32 -1.91 0.11 116.42 122.30 2fsf h ASP 212 Ca 0.00 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 2fsf h ASP 212 Cb 0.94 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.45 2fsf h ASP 212 CO 0.00 0.22 -0.00 0.77 -1.72 0.00 0.00 179.24 178.51 2fsf h SER 213 N 0.11 -0.01 -0.35 6.45 4.64 -1.95 -0.35 113.55 122.09 2fsf h SER 213 Ca 0.05 -0.79 -0.15 0.00 -0.47 0.00 0.00 61.79 60.42 2fsf h SER 213 Cb 0.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 2fsf h SER 213 CO -0.01 0.87 -0.35 0.40 -0.87 0.00 0.00 176.83 176.87 2fsf h ILE 214 N -0.97 1.27 0.00 0.95 2.04 -1.49 -1.69 117.51 117.62 2fsf h ILE 214 Ca -0.00 -1.53 -0.37 0.00 1.00 0.00 0.00 64.86 63.96 2fsf h ILE 214 Cb 0.80 1.35 -0.07 0.00 -0.74 0.00 0.00 36.82 38.16 2fsf h ILE 214 CO 0.00 0.51 -2.39 0.18 0.00 0.00 0.00 178.15 176.45 2fsf n LEU 215 N -4.06 0.22 -0.03 1.44 4.77 0.34 -4.17 117.00 115.50 2fsf n LEU 215 Ca -0.02 -0.01 -0.04 0.00 -0.03 0.00 0.00 56.01 55.92 2fsf n LEU 215 Cb 0.52 0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 42.00 2fsf n LEU 215 CO 0.48 0.53 -0.28 -0.38 -1.33 0.00 0.00 177.39 176.41 2fsf n ILE 216 N -2.79 0.67 -0.37 -0.08 2.08 -0.90 -3.64 119.36 114.33 2fsf n ILE 216 Ca -0.34 0.32 0.05 0.00 0.56 0.00 0.00 62.75 63.34 2fsf n ILE 216 Cb 1.15 -1.83 0.21 0.00 -0.75 0.00 0.00 39.64 38.42 2fsf n ILE 216 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 2fsf h ASP 217 N -0.41 0.99 -0.74 4.38 3.32 -0.90 -2.24 116.42 120.82 2fsf h ASP 217 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2fsf h ASP 217 Cb 0.41 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2fsf h ASP 217 CO 0.00 0.58 0.00 -0.62 -1.72 0.00 0.00 179.24 177.48 2fsf n GLU 218 N -4.56 2.78 -0.32 3.56 -0.58 -0.65 -4.66 120.64 116.20 2fsf n GLU 218 Ca 0.17 -2.70 0.15 0.00 -0.42 0.00 0.00 57.16 54.36 2fsf n GLU 218 Cb 0.27 -1.59 0.34 0.00 -0.57 0.00 0.00 31.44 29.88 2fsf n GLU 218 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2fsf h ALA 219 N 4.36 1.59 -0.21 0.62 0.00 -1.47 -1.68 119.26 122.47 2fsf h ALA 219 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2fsf h ALA 219 Cb 1.02 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2fsf h ALA 219 CO 0.01 -0.28 0.00 0.54 0.00 0.00 0.00 179.25 179.52 2fsf n ARG 220 N -4.95 2.36 -1.95 0.00 1.74 -1.26 -0.50 116.66 112.10 2fsf n ARG 220 Ca 0.24 -2.09 -0.42 0.00 -0.77 0.00 0.00 57.85 54.81 2fsf n ARG 220 Cb 0.68 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.61 2fsf n ARG 220 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2fsf s THR 221 N -1.69 3.38 0.08 0.55 2.01 -0.63 -4.80 115.64 114.53 2fsf s THR 221 Ca 0.33 0.57 -0.25 0.00 0.31 0.00 0.00 61.69 62.64 2fsf s THR 221 Cb 0.21 -3.37 -0.06 0.00 0.01 0.00 0.00 72.50 69.29 2fsf s THR 221 CO 0.30 -0.04 0.79 -2.16 -0.69 0.00 0.00 174.62 172.82 2fsf s PRO 222 N 3.71 4.53 -0.17 4.92 0.04 -1.26 -2.36 135.00 144.41 2fsf s PRO 222 Ca 0.75 1.12 -0.21 0.00 0.04 0.00 0.00 61.00 62.71 2fsf s PRO 222 Cb -0.36 -3.34 -0.03 0.00 0.04 0.00 0.00 34.50 30.81 2fsf s PRO 222 CO 0.32 0.34 0.61 -0.51 0.04 0.00 0.00 177.00 177.80 2fsf s LEU 223 N -0.29 4.18 -0.08 -3.56 1.43 0.18 -4.96 118.68 115.57 2fsf s LEU 223 Ca 0.39 0.86 0.01 0.00 -1.03 0.00 0.00 54.13 54.36 2fsf s LEU 223 Cb -0.21 -2.88 0.02 0.00 0.03 0.00 0.00 46.19 43.14 2fsf s LEU 223 CO 0.24 -0.22 -0.10 -0.63 0.23 0.00 0.00 176.35 175.87 2fsf s ILE 224 N 1.61 1.09 -0.24 -0.59 1.01 -1.26 -1.73 121.20 121.09 2fsf s ILE 224 Ca 0.29 -0.41 -0.09 0.00 0.00 0.00 0.00 60.65 60.44 2fsf s ILE 224 Cb -0.16 -1.04 -0.04 0.00 0.01 0.00 0.00 42.46 41.23 2fsf s ILE 224 CO 0.11 0.36 0.13 -0.63 0.00 0.00 0.00 174.94 174.91 2fsf s ILE 225 N 1.07 5.00 0.13 2.92 1.01 0.15 -5.02 121.20 126.47 2fsf s ILE 225 Ca -0.07 0.06 0.09 0.00 0.00 0.00 0.00 60.65 60.73 2fsf s ILE 225 Cb -0.14 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 2fsf s ILE 225 CO -0.01 0.34 -0.18 -0.44 0.00 0.00 0.00 174.94 174.65 2fsf s SER 226 N 1.27 3.88 -0.01 3.58 0.01 -1.26 0.42 113.70 121.59 2fsf s SER 226 Ca 0.06 -0.60 -0.21 0.00 1.31 0.00 0.00 55.95 56.52 2fsf s SER 226 Cb -0.14 -0.53 0.04 0.00 0.21 0.00 0.00 66.02 65.59 2fsf s SER 226 CO 0.05 0.16 0.45 -0.83 0.41 0.00 0.00 173.24 173.49 2fsf s GLY 227 N -2.29 -0.32 0.24 3.44 0.00 -0.32 -4.86 107.32 103.21 2fsf s GLY 227 Ca 0.19 0.65 -0.04 0.00 0.00 0.00 0.00 44.72 45.51 2fsf s GLY 227 CO 0.11 0.38 1.78 -2.55 0.00 0.00 0.00 173.10 172.82 2fsf h PRO 228 N 3.41 0.98 0.00 2.90 0.11 -1.85 -0.67 132.00 136.88 2fsf h PRO 228 Ca -0.29 -0.21 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2fsf h PRO 228 Cb 1.17 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2fsf h PRO 228 CO 0.40 0.87 0.00 0.00 -0.21 0.00 0.00 178.00 179.06 2fsf n ALA 229 N -2.46 0.00 -2.24 -0.75 0.00 -1.26 -4.42 120.51 109.38 2fsf n ALA 229 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.28 2fsf n ALA 229 Cb 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.66 2fsf n ALA 229 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2fsf s GLU 230 N 0.00 2.55 0.00 0.00 8.01 -1.26 -4.88 118.70 123.13 2fsf s GLU 230 Ca 0.00 -1.51 0.00 0.00 0.01 0.00 0.00 54.97 53.47 2fsf s GLU 230 Cb 0.00 -2.39 0.00 0.00 -4.31 0.00 0.00 34.13 27.43 2fsf s GLU 230 CO 0.00 -0.17 0.00 -0.40 0.01 0.00 0.00 175.26 174.70 2fsf n ASP 231 N -1.54 0.00 0.00 -0.19 3.85 -1.26 -5.10 116.55 112.30 2fsf n ASP 231 Ca 0.03 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.11 2fsf n ASP 231 Cb 0.61 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.38 2fsf n ASP 231 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.20 175.95 2fsf n SER 232 N 0.00 0.00 0.00 -1.12 2.88 -1.26 -5.07 113.62 109.05 2fsf n SER 232 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2fsf n SER 232 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2fsf n SER 232 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2fsf n VAL 280 N 0.00 0.00 -0.11 2.46 0.31 -1.26 -5.11 118.33 114.62 2fsf n VAL 280 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 2fsf n VAL 280 Cb 0.00 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.84 2fsf n VAL 280 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2fsf h LEU 281 N 0.00 -1.77 -1.16 7.52 3.38 -2.07 -3.07 115.31 118.14 2fsf h LEU 281 Ca 0.00 0.23 0.12 0.00 0.09 0.00 0.00 57.88 58.33 2fsf h LEU 281 Cb 0.00 0.73 -0.07 0.00 0.09 0.00 0.00 40.66 41.40 2fsf h LEU 281 CO 0.00 -0.41 0.60 -0.29 0.09 0.00 0.00 178.44 178.42 2fsf h ILE 282 N -0.42 0.90 0.22 1.22 -0.00 -2.04 -2.28 117.51 115.11 2fsf h ILE 282 Ca 0.08 -0.29 -0.01 0.00 -0.00 0.00 0.00 64.86 64.63 2fsf h ILE 282 Cb 0.61 -0.03 0.00 0.00 -0.00 0.00 0.00 36.82 37.40 2fsf h ILE 282 CO -0.57 0.16 -0.11 -0.08 -0.00 0.00 0.00 178.15 177.55 2fsf h GLU 283 N 0.85 -0.29 -0.55 2.19 4.22 -1.96 0.36 114.58 119.41 2fsf h GLU 283 Ca 0.46 0.02 0.09 0.00 0.08 0.00 0.00 59.36 60.00 2fsf h GLU 283 Cb 0.56 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 29.77 2fsf h GLU 283 CO -0.22 -0.11 -0.42 0.93 -2.18 0.00 0.00 179.01 177.01 2fsf h GLU 284 N -0.40 -0.23 0.18 1.92 4.39 -1.41 0.11 114.58 119.14 2fsf h GLU 284 Ca -0.03 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2fsf h GLU 284 Cb 0.31 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2fsf h GLU 284 CO 0.05 -0.15 -0.09 -0.07 -1.16 0.00 0.00 179.01 177.59 2fsf h LEU 285 N -0.24 -0.20 -0.37 1.33 4.07 -1.46 -3.25 115.31 115.18 2fsf h LEU 285 Ca 0.18 -0.16 0.08 0.00 0.08 0.00 0.00 57.88 58.06 2fsf h LEU 285 Cb 0.56 0.05 -0.08 0.00 1.08 0.00 0.00 40.66 42.28 2fsf h LEU 285 CO -0.67 0.04 -0.19 0.25 -1.08 0.00 0.00 178.44 176.80 2fsf h LEU 286 N -0.45 -0.63 -9.80 1.67 5.85 0.15 -3.37 115.31 108.73 2fsf h LEU 286 Ca -0.02 0.15 -0.53 0.00 0.84 0.00 0.00 57.88 58.31 2fsf h LEU 286 Cb 0.35 0.34 0.07 0.00 0.37 0.00 0.00 40.66 41.79 2fsf h LEU 286 CO 0.04 -0.22 0.75 0.54 -0.34 0.00 0.00 178.44 179.21 2fsf s VAL 287 N -6.14 2.55 0.00 1.05 0.11 0.34 -4.84 120.40 113.47 2fsf s VAL 287 Ca -0.14 0.49 0.00 0.00 -2.93 0.00 0.00 61.98 59.40 2fsf s VAL 287 Cb 0.14 -3.31 0.00 0.00 -1.53 0.00 0.00 36.38 31.68 2fsf s VAL 287 CO 0.70 0.09 0.00 2.29 -3.33 0.00 0.00 175.10 174.85 2fsf n LYS 288 N 1.81 0.00 0.00 1.54 2.85 -1.26 -4.84 118.16 118.26 2fsf n LYS 288 Ca 0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 2fsf n LYS 288 Cb 0.40 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.78 2fsf n LYS 288 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2fsf n GLU 289 N 1.91 0.00 0.00 -1.58 -0.58 -1.26 -4.99 120.64 114.14 2fsf n GLU 289 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2fsf n GLU 289 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2fsf n GLU 289 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2fsf n GLY 290 N 0.00 -0.90 3.78 0.62 0.00 -1.26 -4.76 105.19 102.67 2fsf n GLY 290 Ca 0.00 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 2fsf n GLY 290 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2fsf n ILE 291 N 0.06 -5.09 0.00 -0.61 0.13 -1.26 -3.59 119.36 109.00 2fsf n ILE 291 Ca 0.00 -0.88 0.00 0.00 -1.10 0.00 0.00 62.75 60.77 2fsf n ILE 291 Cb 0.00 -3.84 0.00 0.00 -0.84 0.00 0.00 39.64 34.96 2fsf n ILE 291 CO 0.00 0.00 0.00 0.80 2.80 0.00 0.00 176.55 180.15 2fsf n MET 292 N -4.41 0.00 0.00 9.51 0.00 -1.26 -5.08 117.12 115.88 2fsf n MET 292 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.60 2fsf n MET 292 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.80 2fsf n MET 292 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 2fsf n ASP 293 N 0.00 0.00 0.00 6.12 3.85 -1.24 -3.53 116.55 121.75 2fsf n ASP 293 Ca 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.08 2fsf n ASP 293 Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 2fsf n ASP 293 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 2fsf n GLU 294 N -1.22 0.00 -0.01 0.11 2.13 -1.26 -4.90 120.64 115.49 2fsf n GLU 294 Ca 0.00 0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.87 2fsf n GLU 294 Cb 0.00 -0.32 0.00 0.00 0.27 0.00 0.00 31.44 31.39 2fsf n GLU 294 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2fsf n GLY 295 N 2.26 -1.75 3.91 8.31 0.00 -1.23 -5.09 105.19 111.60 2fsf n GLY 295 Ca 0.00 -0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2fsf n GLY 295 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2fsf s GLU 296 N -0.21 2.75 -0.33 1.61 2.12 -1.24 -5.06 118.70 118.35 2fsf s GLU 296 Ca 0.00 0.14 -0.08 0.00 0.36 0.00 0.00 54.97 55.39 2fsf s GLU 296 Cb 0.00 -2.15 0.02 0.00 0.26 0.00 0.00 34.13 32.26 2fsf s GLU 296 CO 0.00 -0.94 0.13 0.45 -0.54 0.00 0.00 175.26 174.36 2fsf s SER 297 N -4.37 5.41 0.54 -1.70 0.15 -1.26 -4.98 113.70 107.49 2fsf s SER 297 Ca 0.57 -0.91 0.46 0.00 0.70 0.00 0.00 55.95 56.77 2fsf s SER 297 Cb -0.11 -1.93 1.59 0.00 -1.71 0.00 0.00 66.02 63.87 2fsf s SER 297 CO 0.48 -0.29 1.47 -0.11 1.20 0.00 0.00 173.24 175.99 2fsf n LEU 298 N 4.90 0.00 -0.53 3.45 7.94 -1.26 -0.83 117.00 130.66 2fsf n LEU 298 Ca -0.13 0.93 0.10 0.00 -1.11 0.00 0.00 56.01 55.80 2fsf n LEU 298 Cb 0.46 -0.46 0.37 0.00 0.53 0.00 0.00 43.42 44.33 2fsf n LEU 298 CO 0.33 -0.93 0.77 -1.22 -1.11 0.00 0.00 177.39 175.23 2fsf n TYR 299 N -3.78 0.21 -2.12 1.96 4.02 -1.26 -4.56 117.16 111.64 2fsf n TYR 299 Ca 0.41 -0.10 -0.40 0.00 -0.01 0.00 0.00 57.90 57.79 2fsf n TYR 299 Cb 1.90 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 41.20 2fsf n TYR 299 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2fsf s SER 300 N -1.55 6.69 0.01 7.72 1.04 -0.01 -4.96 113.70 122.63 2fsf s SER 300 Ca 0.32 2.67 -0.33 0.00 0.48 0.00 0.00 55.95 59.08 2fsf s SER 300 Cb 0.17 -2.65 -0.11 0.00 0.10 0.00 0.00 66.02 63.53 2fsf s SER 300 CO 0.26 -0.59 1.84 -2.65 0.98 0.00 0.00 173.24 173.08 2fsf n PRO 301 N 0.65 2.39 0.00 4.02 -0.02 -1.26 -2.08 135.00 138.70 2fsf n PRO 301 Ca 0.01 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 2fsf n PRO 301 Cb 0.42 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 2fsf n PRO 301 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fsf n ALA 302 N 6.12 0.00 1.60 3.55 0.00 -1.26 -4.84 120.51 125.68 2fsf n ALA 302 Ca 0.21 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.65 2fsf n ALA 302 Cb 0.32 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.80 2fsf n ALA 302 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2fsf n ASN 303 N 0.00 0.52 -0.20 0.00 4.13 -0.88 -4.34 115.26 114.48 2fsf n ASN 303 Ca 0.00 -2.02 -0.02 0.00 1.68 0.00 0.00 54.58 54.23 2fsf n ASN 303 Cb 0.00 -0.15 0.09 0.00 -1.54 0.00 0.00 39.78 38.18 2fsf n ASN 303 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 2fsf h ILE 304 N 0.27 0.90 -0.24 2.41 6.09 -1.77 0.17 117.51 125.34 2fsf h ILE 304 Ca 0.00 -0.19 -0.05 0.00 -1.37 0.00 0.00 64.86 63.25 2fsf h ILE 304 Cb 0.20 0.31 -0.01 0.00 0.47 0.00 0.00 36.82 37.79 2fsf h ILE 304 CO 0.01 0.10 -0.06 0.24 -3.07 0.00 0.00 178.15 175.36 2fsf h MET 305 N 0.54 0.47 -0.51 2.19 2.86 -1.92 -0.46 114.93 118.10 2fsf h MET 305 Ca 0.28 -0.18 0.09 0.00 -2.06 0.00 0.00 59.70 57.83 2fsf h MET 305 Cb 0.24 -0.03 -0.08 0.00 0.06 0.00 0.00 31.60 31.80 2fsf h MET 305 CO -0.22 0.70 0.08 1.25 1.06 0.00 0.00 176.91 179.79 2fsf h LEU 306 N 0.21 -0.05 -1.17 1.22 6.46 -1.76 0.27 115.31 120.50 2fsf h LEU 306 Ca 0.06 0.10 0.02 0.00 -0.12 0.00 0.00 57.88 57.94 2fsf h LEU 306 Cb 0.53 0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 40.56 2fsf h LEU 306 CO 0.02 -0.00 0.57 -0.03 -0.62 0.00 0.00 178.44 178.38 2fsf h MET 307 N 0.21 1.09 -0.67 1.25 4.05 -0.50 -1.29 114.93 119.06 2fsf h MET 307 Ca 0.26 -0.07 -0.07 0.00 -0.28 0.00 0.00 59.70 59.55 2fsf h MET 307 Cb 0.37 -0.25 -0.03 0.00 -0.80 0.00 0.00 31.60 30.89 2fsf h MET 307 CO -0.36 0.72 0.15 1.25 0.23 0.00 0.00 176.91 178.90 2fsf h HIS 308 N 1.13 1.15 -0.87 1.39 -0.00 0.60 0.56 115.15 119.10 2fsf h HIS 308 Ca 0.32 -0.14 0.00 0.00 -0.00 0.00 0.00 60.37 60.56 2fsf h HIS 308 Cb -0.07 -0.32 -0.04 0.00 -0.00 0.00 0.00 27.41 26.97 2fsf h HIS 308 CO -0.00 0.94 0.56 0.45 -0.00 0.00 0.00 177.93 179.88 2fsf h HIS 309 N 1.02 1.12 0.15 5.26 -0.00 -0.05 0.64 115.15 123.28 2fsf h HIS 309 Ca 0.21 0.02 -0.28 0.00 -0.00 0.00 0.00 60.37 60.31 2fsf h HIS 309 Cb 0.39 -0.37 0.01 0.00 -0.00 0.00 0.00 27.41 27.43 2fsf h HIS 309 CO 0.03 0.72 -1.27 -0.39 -0.00 0.00 0.00 177.93 177.02 2fsf h VAL 310 N 1.19 1.45 -0.07 2.45 -1.51 -0.73 1.56 116.25 120.60 2fsf h VAL 310 Ca 0.32 -2.96 0.02 0.00 -1.23 0.00 0.00 66.70 62.85 2fsf h VAL 310 Cb -0.11 2.93 -0.00 0.00 -2.13 0.00 0.00 31.29 31.99 2fsf h VAL 310 CO -0.07 0.87 0.06 0.71 -1.23 0.00 0.00 177.57 177.91 2fsf h THR 311 N 0.10 0.78 0.00 7.19 1.35 0.24 -3.22 112.91 119.35 2fsf h THR 311 Ca -0.15 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.70 2fsf h THR 311 Cb 1.99 0.95 -0.00 0.00 -1.73 0.00 0.00 68.15 69.36 2fsf h THR 311 CO 0.22 0.00 -0.06 0.00 -0.25 0.00 0.00 175.52 175.43 2fsf h ALA 312 N 1.95 0.00 -0.92 6.62 0.00 0.56 -3.50 119.26 123.97 2fsf h ALA 312 Ca 0.04 -0.08 -0.76 0.00 0.00 0.00 0.00 54.91 54.10 2fsf h ALA 312 Cb 0.16 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2fsf h ALA 312 CO -0.00 0.05 1.08 0.00 0.00 0.00 0.00 179.25 180.38 2fsf n ALA 313 N -2.85 -0.05 0.00 0.00 0.00 0.53 -5.06 120.51 113.08 2fsf n ALA 313 Ca -0.01 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2fsf n ALA 313 Cb 0.06 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.32 2fsf n ALA 313 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2fsf n ILE 365 N 5.55 0.00 -0.04 0.00 5.41 -1.26 -5.03 119.36 123.99 2fsf n ILE 365 Ca 0.38 0.00 -0.18 0.00 1.00 0.00 0.00 62.75 63.95 2fsf n ILE 365 Cb 0.06 0.00 -0.14 0.00 -0.71 0.00 0.00 39.64 38.86 2fsf n ILE 365 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2fsf n GLN 366 N 0.00 0.71 0.17 0.38 3.00 -1.26 -5.02 117.38 115.36 2fsf n GLN 366 Ca 0.00 0.22 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 2fsf n GLN 366 Cb 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 30.24 28.59 2fsf n GLN 366 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 2fsf n ASN 367 N -3.31 -3.05 -0.91 1.08 4.05 -1.26 -5.15 115.26 106.72 2fsf n ASN 367 Ca -0.34 0.70 0.12 0.00 0.45 0.00 0.00 54.58 55.51 2fsf n ASN 367 Cb 1.04 2.96 -0.03 0.00 1.23 0.00 0.00 39.78 44.98 2fsf n ASN 367 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 177.26 172.37 2fsf n GLU 368 N -3.21 -1.83 -3.94 1.20 0.28 -1.26 -4.94 120.64 106.94 2fsf n GLU 368 Ca 0.00 1.21 -0.10 0.00 -0.16 0.00 0.00 57.16 58.11 2fsf n GLU 368 Cb 0.00 -2.23 -0.07 0.00 1.43 0.00 0.00 31.44 30.57 2fsf n GLU 368 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2fsf s ASN 369 N -4.86 0.01 0.02 -1.84 2.20 -1.26 -4.63 114.94 104.58 2fsf s ASN 369 Ca 0.00 -0.84 -0.02 0.00 -0.94 0.00 0.00 52.86 51.06 2fsf s ASN 369 Cb 0.00 0.45 -0.02 0.00 -2.00 0.00 0.00 41.25 39.69 2fsf s ASN 369 CO 0.00 -0.92 0.01 0.00 -2.94 0.00 0.00 177.10 173.26 2fsf s GLN 370 N -3.96 0.41 -0.01 3.55 -2.07 -0.26 -4.93 119.66 112.39 2fsf s GLN 370 Ca 0.17 -0.66 -0.34 0.00 -1.82 0.00 0.00 55.36 52.70 2fsf s GLN 370 Cb 0.03 0.15 -0.13 0.00 -1.09 0.00 0.00 33.01 31.97 2fsf s GLN 370 CO 0.00 -0.08 1.76 2.41 -1.32 0.00 0.00 175.29 178.06 2fsf n THR 371 N 1.31 0.36 -0.02 3.63 -1.04 -1.26 -1.18 114.28 116.09 2fsf n THR 371 Ca -0.22 -0.07 0.01 0.00 -2.04 0.00 0.00 64.05 61.74 2fsf n THR 371 Cb 0.56 -1.70 -0.13 0.00 -1.82 0.00 0.00 70.33 67.24 2fsf n THR 371 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2fsf n LEU 372 N 5.41 0.31 -3.62 -4.42 4.77 0.17 -4.82 117.00 114.80 2fsf n LEU 372 Ca 0.21 0.13 -0.08 0.00 -0.03 0.00 0.00 56.01 56.25 2fsf n LEU 372 Cb 0.28 0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 2fsf n LEU 372 CO 0.70 0.19 0.88 0.00 -1.33 0.00 0.00 177.39 177.83 2fsf s ALA 373 N -3.01 -2.02 -0.20 -1.18 0.00 -1.13 -4.86 121.76 109.37 2fsf s ALA 373 Ca -0.07 1.74 -0.15 0.00 0.00 0.00 0.00 51.96 53.49 2fsf s ALA 373 Cb 0.10 -1.24 0.06 0.00 0.00 0.00 0.00 23.12 22.03 2fsf s ALA 373 CO 0.85 -0.24 0.50 0.45 0.00 0.00 0.00 175.76 177.32 2fsf s SER 374 N -0.46 -0.59 -0.06 0.00 0.15 -1.26 -0.67 113.70 110.81 2fsf s SER 374 Ca 0.03 1.05 -0.18 0.00 0.70 0.00 0.00 55.95 57.55 2fsf s SER 374 Cb -0.03 1.00 0.04 0.00 -1.71 0.00 0.00 66.02 65.32 2fsf s SER 374 CO -0.05 -0.19 0.41 -0.51 1.20 0.00 0.00 173.24 174.10 2fsf s ILE 375 N 0.84 0.03 0.42 6.45 2.07 -0.70 -4.98 121.20 125.33 2fsf s ILE 375 Ca -0.05 -0.26 -0.06 0.00 -1.41 0.00 0.00 60.65 58.88 2fsf s ILE 375 Cb -0.05 -0.68 -0.04 0.00 0.13 0.00 0.00 42.46 41.81 2fsf s ILE 375 CO -0.07 -0.14 0.72 0.42 -1.91 0.00 0.00 174.94 173.96 2fsf s THR 376 N -0.87 4.92 0.31 4.00 -4.23 -1.26 0.49 115.64 118.99 2fsf s THR 376 Ca -0.09 0.20 -0.01 0.00 -1.18 0.00 0.00 61.69 60.61 2fsf s THR 376 Cb -0.04 -3.82 0.26 0.00 1.34 0.00 0.00 72.50 70.25 2fsf s THR 376 CO 0.04 -0.67 1.98 -0.26 -0.54 0.00 0.00 174.62 175.17 2fsf h PHE 377 N 0.73 0.99 -0.31 3.99 0.04 -1.43 -0.41 116.94 120.53 2fsf h PHE 377 Ca -0.47 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.35 2fsf h PHE 377 Cb 1.20 -0.33 -0.03 0.00 2.20 0.00 0.00 35.95 38.98 2fsf h PHE 377 CO 0.58 0.61 0.11 0.37 -0.60 0.00 0.00 178.31 179.39 2fsf h GLN 378 N 1.06 0.24 0.00 1.51 4.15 -1.04 -1.90 115.11 119.13 2fsf h GLN 378 Ca 0.29 -0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.59 2fsf h GLN 378 Cb -0.10 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 2fsf h GLN 378 CO -0.07 0.16 -0.51 -0.91 -1.93 0.00 0.00 178.83 175.58 2fsf h ASN 379 N 0.25 0.00 0.12 -0.69 2.35 -1.71 -2.44 115.58 113.46 2fsf h ASN 379 Ca 0.14 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 2fsf h ASN 379 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 2fsf h ASN 379 CO -0.14 0.51 -0.06 0.22 -1.65 0.00 0.00 177.43 176.31 2fsf h TYR 380 N 0.00 -0.15 0.00 1.19 3.20 -0.75 -3.20 116.97 117.26 2fsf h TYR 380 Ca -0.01 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2fsf h TYR 380 Cb 1.08 0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.40 2fsf h TYR 380 CO 0.00 0.12 0.00 0.74 -1.64 0.00 0.00 178.16 177.38 2fsf h PHE 381 N -0.41 0.00 0.00 -3.82 0.04 -1.29 -1.60 116.94 109.85 2fsf h PHE 381 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 2fsf h PHE 381 Cb 0.34 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.49 2fsf h PHE 381 CO 0.01 0.00 0.00 0.54 -0.60 0.00 0.00 178.31 178.26 2fsf n ARG 382 N -3.09 0.01 0.20 1.51 1.74 -0.93 -2.57 116.66 113.54 2fsf n ARG 382 Ca 0.00 0.08 0.14 0.00 -0.77 0.00 0.00 57.85 57.30 2fsf n ARG 382 Cb 0.28 -1.50 0.52 0.00 -1.02 0.00 0.00 32.46 30.75 2fsf n ARG 382 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2fsf h LEU 383 N 0.00 0.00-10.01 0.55 3.38 -1.30 -3.46 115.31 104.47 2fsf h LEU 383 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 2fsf h LEU 383 Cb 0.42 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.21 2fsf h LEU 383 CO 0.00 0.00 0.43 -0.31 0.09 0.00 0.00 178.44 178.65 2fsf s TYR 384 N -3.43 3.01 0.24 1.13 2.02 -1.06 -4.82 117.35 114.44 2fsf s TYR 384 Ca 0.04 1.58 -0.06 0.00 -0.37 0.00 0.00 57.07 58.26 2fsf s TYR 384 Cb 0.09 -3.22 0.25 0.00 -0.40 0.00 0.00 41.96 38.68 2fsf s TYR 384 CO 0.52 -1.07 1.89 1.49 -1.57 0.00 0.00 175.55 176.81 2fsf h GLU 385 N 2.00 1.27 -4.99 -0.62 4.81 -1.26 -3.43 114.58 112.35 2fsf h GLU 385 Ca -0.49 -0.12 -0.43 0.00 -0.13 0.00 0.00 59.36 58.19 2fsf h GLU 385 Cb 1.23 -0.26 -0.29 0.00 0.63 0.00 0.00 28.75 30.06 2fsf h GLU 385 CO 0.60 0.89 -0.79 0.15 -0.73 0.00 0.00 179.01 179.13 2fsf s LYS 386 N -5.93 0.91 -0.00 1.92 1.02 -0.30 -5.02 119.74 112.34 2fsf s LYS 386 Ca -0.13 -0.42 0.01 0.00 0.02 0.00 0.00 55.97 55.45 2fsf s LYS 386 Cb 0.17 -0.88 -0.00 0.00 -0.52 0.00 0.00 37.83 36.60 2fsf s LYS 386 CO 0.82 0.24 -0.04 -1.17 -0.92 0.00 0.00 175.35 174.28 2fsf s LEU 387 N -0.32 2.02 0.22 3.17 2.96 -1.26 -2.06 118.68 123.41 2fsf s LEU 387 Ca 0.04 -0.10 -0.18 0.00 -0.22 0.00 0.00 54.13 53.68 2fsf s LEU 387 Cb -0.05 -0.19 0.02 0.00 0.50 0.00 0.00 46.19 46.48 2fsf s LEU 387 CO -0.00 0.03 0.55 0.00 -1.32 0.00 0.00 176.35 175.61 2fsf s ALA 388 N -0.17 -0.89 0.21 5.97 0.00 -0.42 -3.97 121.76 122.48 2fsf s ALA 388 Ca 0.01 -0.32 -0.22 0.00 0.00 0.00 0.00 51.96 51.42 2fsf s ALA 388 Cb -0.02 0.89 0.06 0.00 0.00 0.00 0.00 23.12 24.05 2fsf s ALA 388 CO -0.00 -0.85 0.95 0.20 0.00 0.00 0.00 175.76 176.05 2fsf s GLY 389 N -2.90 -0.01 0.14 0.00 0.00 -1.10 -0.51 107.32 102.94 2fsf s GLY 389 Ca 0.11 -0.20 0.09 0.00 0.00 0.00 0.00 44.72 44.72 2fsf s GLY 389 CO 0.00 0.79 -0.21 1.06 0.00 0.00 0.00 173.10 174.75 2fsf s MET 390 N -2.80 1.26 0.03 2.90 -1.94 -0.68 -1.15 119.30 116.93 2fsf s MET 390 Ca 0.16 -1.33 -0.27 0.00 -1.71 0.00 0.00 55.69 52.54 2fsf s MET 390 Cb -0.03 -1.47 0.07 0.00 2.01 0.00 0.00 34.83 35.41 2fsf s MET 390 CO 0.05 0.32 0.62 -0.08 -0.01 0.00 0.00 175.02 175.92 2fsf s THR 391 N -1.59 0.01 0.98 2.05 -1.32 -1.00 -1.66 115.64 113.10 2fsf s THR 391 Ca 0.13 -0.06 -0.11 0.00 -1.21 0.00 0.00 61.69 60.44 2fsf s THR 391 Cb -0.08 -0.99 0.18 0.00 -1.51 0.00 0.00 72.50 70.10 2fsf s THR 391 CO 0.06 -0.03 1.10 -0.83 -2.21 0.00 0.00 174.62 172.71 2fsf s GLY 392 N -1.79 1.64 0.00 6.08 0.00 -1.21 -1.52 107.32 110.51 2fsf s GLY 392 Ca -0.07 0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.93 2fsf s GLY 392 CO 0.01 0.79 0.39 2.41 0.00 0.00 0.00 173.10 176.69 2fsf n THR 393 N -4.35 0.29 0.00 0.90 -1.04 -1.26 -2.90 114.28 105.92 2fsf n THR 393 Ca 0.08 0.23 0.00 0.00 -2.04 0.00 0.00 64.05 62.32 2fsf n THR 393 Cb 0.53 -1.23 0.00 0.00 -1.82 0.00 0.00 70.33 67.81 2fsf n THR 393 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2fsf n ALA 394 N -0.89 0.19 -0.80 2.41 0.00 -1.26 -4.62 120.51 115.55 2fsf n ALA 394 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2fsf n ALA 394 Cb 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.32 2fsf n ALA 394 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2fsf n ASP 395 N 1.26 0.00 0.00 0.00 3.85 -1.14 -4.89 116.55 115.63 2fsf n ASP 395 Ca 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.08 2fsf n ASP 395 Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 2fsf n ASP 395 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 2fsf n THR 396 N 0.00 0.00 -0.73 2.12 -2.24 -1.26 -4.69 114.28 107.48 2fsf n THR 396 Ca 0.00 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.85 2fsf n THR 396 Cb 0.00 0.00 0.18 0.00 -2.10 0.00 0.00 70.33 68.41 2fsf n THR 396 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2fsf n GLU 397 N -1.21 2.52 -0.24 -0.78 1.02 -1.26 -4.71 120.64 115.99 2fsf n GLU 397 Ca 0.00 -2.47 0.03 0.00 -0.02 0.00 0.00 57.16 54.70 2fsf n GLU 397 Cb 0.00 -1.55 0.15 0.00 -0.02 0.00 0.00 31.44 30.02 2fsf n GLU 397 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2fsf h ALA 398 N 1.20 0.94 -0.49 0.62 0.00 -1.97 -1.89 119.26 117.67 2fsf h ALA 398 Ca 0.00 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2fsf h ALA 398 Cb 1.09 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 2fsf h ALA 398 CO 0.10 -0.20 0.33 0.27 0.00 0.00 0.00 179.25 179.75 2fsf h PHE 399 N 0.43 0.55 -0.14 0.00 -0.00 -1.96 -2.24 116.94 113.59 2fsf h PHE 399 Ca 0.37 0.01 -0.14 0.00 -0.00 0.00 0.00 57.97 58.22 2fsf h PHE 399 Cb 0.52 -0.19 0.00 0.00 -0.00 0.00 0.00 35.95 36.29 2fsf h PHE 399 CO -0.17 0.33 -0.45 0.93 -0.00 0.00 0.00 178.31 178.95 2fsf h GLU 400 N 0.58 0.55 -0.80 6.09 5.08 -1.72 -0.93 114.58 123.43 2fsf h GLU 400 Ca 0.19 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 2fsf h GLU 400 Cb 0.06 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 2fsf h GLU 400 CO -0.05 1.03 0.50 0.74 -1.00 0.00 0.00 179.01 180.23 2fsf h PHE 401 N 0.18 1.04 -0.33 4.33 0.04 -1.21 0.35 116.94 121.34 2fsf h PHE 401 Ca -0.02 0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.64 2fsf h PHE 401 Cb 1.07 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.87 2fsf h PHE 401 CO 0.10 0.68 -0.26 1.03 -0.60 0.00 0.00 178.31 179.26 2fsf h SER 402 N 1.09 0.81 0.36 2.17 0.87 -1.22 -0.10 113.55 117.54 2fsf h SER 402 Ca 0.29 -0.45 -0.02 0.00 -1.23 0.00 0.00 61.79 60.38 2fsf h SER 402 Cb -0.07 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.66 2fsf h SER 402 CO -0.06 1.08 -0.17 -1.28 -0.53 0.00 0.00 176.83 175.87 2fsf h SER 403 N 0.54 -0.41 0.20 6.23 0.87 -0.87 0.29 113.55 120.39 2fsf h SER 403 Ca 0.06 -0.04 -0.31 0.00 -1.23 0.00 0.00 61.79 60.27 2fsf h SER 403 Cb 0.83 0.11 0.03 0.00 -0.44 0.00 0.00 62.40 62.93 2fsf h SER 403 CO 0.07 -0.22 -1.33 0.40 -0.53 0.00 0.00 176.83 175.22 2fsf h ILE 404 N -0.58 1.30 -0.00 2.23 2.04 -0.39 -3.40 117.51 118.72 2fsf h ILE 404 Ca -0.05 -2.59 0.00 0.00 1.00 0.00 0.00 64.86 63.22 2fsf h ILE 404 Cb 0.43 2.94 0.00 0.00 -0.74 0.00 0.00 36.82 39.44 2fsf h ILE 404 CO 0.08 0.78 -0.01 -1.22 0.00 0.00 0.00 178.15 177.77 2fsf n TYR 405 N -3.79 0.00 -3.38 1.37 4.01 -0.08 -4.98 117.16 110.30 2fsf n TYR 405 Ca -0.15 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.34 2fsf n TYR 405 Cb 1.03 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 40.08 2fsf n TYR 405 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2fsf n LYS 406 N -0.59 -4.65 -3.23 -0.72 4.76 0.09 -4.97 118.16 108.85 2fsf n LYS 406 Ca 0.00 0.67 -0.39 0.00 -2.87 0.00 0.00 58.31 55.72 2fsf n LYS 406 Cb 0.01 -5.49 -0.07 0.00 -1.84 0.00 0.00 35.03 27.64 2fsf n LYS 406 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2fsf s LEU 407 N -6.78 4.14 0.46 -0.35 1.43 -1.04 -4.84 118.68 111.70 2fsf s LEU 407 Ca 0.44 0.68 -0.19 0.00 -1.03 0.00 0.00 54.13 54.03 2fsf s LEU 407 Cb -0.22 -2.73 -0.10 0.00 0.03 0.00 0.00 46.19 43.18 2fsf s LEU 407 CO 0.54 -0.20 0.95 -1.81 0.23 0.00 0.00 176.35 176.07 2fsf s ASP 408 N 1.18 6.82 -0.19 2.29 1.01 -0.66 -2.75 116.67 124.38 2fsf s ASP 408 Ca 0.24 1.63 -0.04 0.00 0.71 0.00 0.00 52.55 55.09 2fsf s ASP 408 Cb -0.15 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.23 2fsf s ASP 408 CO 0.10 -0.43 -0.03 0.28 0.21 0.00 0.00 175.17 175.30 2fsf s THR 409 N -2.33 3.78 -0.16 -1.27 -1.32 -1.26 0.13 115.64 113.21 2fsf s THR 409 Ca 0.61 -0.38 -0.03 0.00 -1.21 0.00 0.00 61.69 60.68 2fsf s THR 409 Cb -0.09 -2.69 -0.02 0.00 -1.51 0.00 0.00 72.50 68.19 2fsf s THR 409 CO 0.20 0.45 -0.06 -0.69 -2.21 0.00 0.00 174.62 172.31 2fsf s VAL 410 N 0.85 3.61 -0.47 5.08 1.01 -0.34 -4.93 120.40 125.21 2fsf s VAL 410 Ca -0.00 -0.45 -0.24 0.00 0.00 0.00 0.00 61.98 61.28 2fsf s VAL 410 Cb -0.14 -2.58 0.03 0.00 0.00 0.00 0.00 36.38 33.69 2fsf s VAL 410 CO 0.02 0.49 0.85 -0.69 0.00 0.00 0.00 175.10 175.76 2fsf s VAL 411 N 0.56 4.56 0.03 2.92 1.01 -1.26 -1.47 120.40 126.75 2fsf s VAL 411 Ca -0.04 0.52 -0.26 0.00 0.00 0.00 0.00 61.98 62.20 2fsf s VAL 411 Cb -0.15 -4.39 -0.05 0.00 0.00 0.00 0.00 36.38 31.80 2fsf s VAL 411 CO 0.03 -0.80 0.80 -0.69 0.00 0.00 0.00 175.10 174.43 2fsf s VAL 412 N 3.52 4.75 0.72 2.92 1.01 -0.28 -4.96 120.40 128.10 2fsf s VAL 412 Ca 0.32 1.70 -0.13 0.00 0.00 0.00 0.00 61.98 63.88 2fsf s VAL 412 Cb -0.11 -4.15 0.03 0.00 0.00 0.00 0.00 36.38 32.15 2fsf s VAL 412 CO 0.24 0.33 1.10 -2.16 0.00 0.00 0.00 175.10 174.61 2fsf s PRO 413 N 0.15 2.47 0.51 2.72 0.04 -1.26 -4.73 135.00 134.90 2fsf s PRO 413 Ca 0.41 1.30 -0.17 0.00 0.04 0.00 0.00 61.00 62.57 2fsf s PRO 413 Cb -0.21 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.34 2fsf s PRO 413 CO 0.24 -1.50 1.00 0.95 0.04 0.00 0.00 177.00 177.73 2fsf s THR 414 N -2.62 4.30 0.07 1.26 -4.23 -1.26 -4.86 115.64 108.30 2fsf s THR 414 Ca 0.64 1.18 -0.30 0.00 -1.18 0.00 0.00 61.69 62.04 2fsf s THR 414 Cb -0.19 -3.61 -0.18 0.00 1.34 0.00 0.00 72.50 69.86 2fsf s THR 414 CO 0.49 -0.55 1.63 -1.13 -0.54 0.00 0.00 174.62 174.52 2fsf h ASN 415 N 1.05 -0.53 -2.65 3.99 -1.24 -1.95 -3.43 115.58 110.83 2fsf h ASN 415 Ca -0.47 0.01 -0.47 0.00 0.71 0.00 0.00 56.30 56.07 2fsf h ASN 415 Cb 1.19 0.14 0.00 0.00 0.73 0.00 0.00 38.32 40.39 2fsf h ASN 415 CO 0.60 -0.36 -0.25 -0.13 -1.29 0.00 0.00 177.43 176.00 2fsf s ARG 416 N -5.99 3.47 0.30 6.67 0.52 -1.26 -5.03 118.95 117.63 2fsf s ARG 416 Ca -0.16 -0.44 -0.30 0.00 -0.52 0.00 0.00 55.73 54.31 2fsf s ARG 416 Cb 0.04 -2.72 -0.11 0.00 0.52 0.00 0.00 34.95 32.68 2fsf s ARG 416 CO 0.62 0.22 1.54 -2.14 0.02 0.00 0.00 175.30 175.56 2fsf s PRO 417 N -4.23 4.15 -0.60 3.54 0.02 -1.26 -4.54 135.00 132.08 2fsf s PRO 417 Ca 0.38 2.52 -0.24 0.00 0.02 0.00 0.00 61.00 63.69 2fsf s PRO 417 Cb -0.09 -3.03 0.05 0.00 0.02 0.00 0.00 34.50 31.45 2fsf s PRO 417 CO 0.34 -0.56 0.96 1.41 -0.33 0.00 0.00 177.00 178.82 2fsf s MET 418 N -0.81 3.24 -0.04 5.54 1.75 -1.26 -4.22 119.30 123.50 2fsf s MET 418 Ca 0.60 -0.48 0.14 0.00 -1.25 0.00 0.00 55.69 54.70 2fsf s MET 418 Cb -0.46 -4.12 0.42 0.00 2.84 0.00 0.00 34.83 33.50 2fsf s MET 418 CO 0.50 -1.64 1.35 0.44 -0.65 0.00 0.00 175.02 175.02 2fsf n ILE 419 N 6.09 1.27 -1.72 10.11 -5.35 -1.26 -4.99 119.36 123.51 2fsf n ILE 419 Ca -0.00 -1.15 -0.42 0.00 -0.27 0.00 0.00 62.75 60.90 2fsf n ILE 419 Cb 0.47 0.35 -0.03 0.00 -1.74 0.00 0.00 39.64 38.69 2fsf n ILE 419 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 2fsf n ARG 420 N 0.55 2.66 -3.11 6.28 0.63 -1.26 -4.48 116.66 117.93 2fsf n ARG 420 Ca 0.16 0.96 -0.43 0.00 -0.92 0.00 0.00 57.85 57.61 2fsf n ARG 420 Cb 0.56 -2.77 -0.07 0.00 0.45 0.00 0.00 32.46 30.64 2fsf n ARG 420 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2fsf s LYS 421 N 0.52 3.24 -0.45 -0.14 1.02 0.22 -4.93 119.74 119.22 2fsf s LYS 421 Ca 0.71 -0.50 -0.19 0.00 0.02 0.00 0.00 55.97 56.02 2fsf s LYS 421 Cb -0.52 -3.99 0.03 0.00 -0.52 0.00 0.00 37.83 32.83 2fsf s LYS 421 CO 0.39 -1.08 0.55 -0.51 -0.92 0.00 0.00 175.35 173.78 2fsf s ASP 422 N 2.19 6.24 0.40 2.83 1.01 -1.26 -1.35 116.67 126.73 2fsf s ASP 422 Ca 0.21 -0.66 -0.04 0.00 0.71 0.00 0.00 52.55 52.77 2fsf s ASP 422 Cb -0.15 -2.27 -0.04 0.00 1.01 0.00 0.00 42.92 41.47 2fsf s ASP 422 CO 0.17 -0.73 0.67 -0.76 0.21 0.00 0.00 175.17 174.74 2fsf s LEU 423 N 2.46 3.84 0.30 1.23 1.43 -0.27 -4.96 118.68 122.71 2fsf s LEU 423 Ca 0.16 0.76 -0.30 0.00 -1.03 0.00 0.00 54.13 53.72 2fsf s LEU 423 Cb -0.17 -3.66 -0.12 0.00 0.03 0.00 0.00 46.19 42.28 2fsf s LEU 423 CO 0.15 -0.41 1.59 -2.65 0.23 0.00 0.00 176.35 175.26 2fsf n PRO 424 N -1.79 2.71 -1.52 1.29 -0.02 -1.26 -4.67 135.00 129.74 2fsf n PRO 424 Ca -0.01 0.96 -0.40 0.00 -2.02 0.00 0.00 63.50 62.03 2fsf n PRO 424 Cb 0.55 -2.74 0.03 0.00 -0.02 0.00 0.00 33.50 31.31 2fsf n PRO 424 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2fsf n ASP 425 N 2.02 -0.18 -4.22 2.55 9.92 -1.26 -4.73 116.55 120.64 2fsf n ASP 425 Ca 0.08 0.87 -0.26 0.00 -0.53 0.00 0.00 54.79 54.95 2fsf n ASP 425 Cb 0.37 -1.23 -0.15 0.00 -0.64 0.00 0.00 41.12 39.47 2fsf n ASP 425 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2fsf s LEU 426 N 0.31 2.10 -0.05 0.64 1.43 -0.90 -4.74 118.68 117.46 2fsf s LEU 426 Ca 0.67 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 2fsf s LEU 426 Cb -0.51 -0.98 0.02 0.00 0.03 0.00 0.00 46.19 44.75 2fsf s LEU 426 CO 0.55 0.20 -0.04 -0.69 0.23 0.00 0.00 176.35 176.59 2fsf s VAL 427 N -0.62 0.55 0.23 -1.59 1.01 -1.26 -0.17 120.40 118.55 2fsf s VAL 427 Ca 0.07 -0.12 0.09 0.00 0.00 0.00 0.00 61.98 62.03 2fsf s VAL 427 Cb -0.08 -0.58 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 2fsf s VAL 427 CO 0.00 0.23 -0.17 -0.31 0.00 0.00 0.00 175.10 174.86 2fsf s TYR 428 N 1.00 1.92 0.04 5.22 2.02 -0.52 -4.94 117.35 122.09 2fsf s TYR 428 Ca -0.10 -0.48 -0.31 0.00 -0.37 0.00 0.00 57.07 55.81 2fsf s TYR 428 Cb -0.14 -0.87 -0.17 0.00 -0.40 0.00 0.00 41.96 40.38 2fsf s TYR 428 CO -0.00 0.49 1.34 1.98 -1.57 0.00 0.00 175.55 177.78 2fsf h MET 429 N 2.47 -1.07 -6.26 -0.62 -1.53 -1.88 0.75 114.93 106.79 2fsf h MET 429 Ca -0.39 0.07 -0.58 0.00 -3.44 0.00 0.00 59.70 55.36 2fsf h MET 429 Cb 1.23 0.24 -0.11 0.00 -0.55 0.00 0.00 31.60 32.42 2fsf h MET 429 CO 0.61 -0.72 -0.68 0.95 0.14 0.00 0.00 176.91 177.21 2fsf s THR 430 N -5.25 3.23 0.22 -0.77 -4.23 -1.26 -2.69 115.64 104.90 2fsf s THR 430 Ca -0.16 -1.93 -0.08 0.00 -1.18 0.00 0.00 61.69 58.34 2fsf s THR 430 Cb 0.02 -2.69 0.19 0.00 1.34 0.00 0.00 72.50 71.36 2fsf s THR 430 CO 0.49 -0.32 1.70 -0.33 -0.54 0.00 0.00 174.62 175.62 2fsf h GLU 431 N 2.19 0.28 -0.32 3.99 4.39 -1.95 -1.36 114.58 121.81 2fsf h GLU 431 Ca -0.44 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.15 2fsf h GLU 431 Cb 1.24 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.81 2fsf h GLU 431 CO 0.59 0.18 -0.20 0.00 -1.16 0.00 0.00 179.01 178.42 2fsf h ALA 432 N 1.53 1.06 -0.44 3.43 0.00 -1.99 -1.56 119.26 121.29 2fsf h ALA 432 Ca 0.36 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 2fsf h ALA 432 Cb 0.55 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2fsf h ALA 432 CO -0.44 0.57 -0.17 0.93 0.00 0.00 0.00 179.25 180.15 2fsf h GLU 433 N 0.53 0.90 -0.89 0.00 5.08 -1.86 -2.23 114.58 116.11 2fsf h GLU 433 Ca 0.08 -0.37 0.14 0.00 -1.00 0.00 0.00 59.36 58.21 2fsf h GLU 433 Cb 0.64 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.76 2fsf h GLU 433 CO 0.05 1.02 0.50 -0.22 -1.00 0.00 0.00 179.01 179.35 2fsf h LYS 434 N 0.73 0.70 0.00 2.33 3.64 -0.71 -2.80 116.57 120.46 2fsf h LYS 434 Ca 0.10 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2fsf h LYS 434 Cb 0.73 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2fsf h LYS 434 CO 0.06 0.46 -0.00 0.82 -2.27 0.00 0.00 179.45 178.52 2fsf h ILE 435 N 0.72 1.62 -0.89 2.00 1.08 -1.20 -0.81 117.51 120.02 2fsf h ILE 435 Ca 0.48 -1.85 0.24 0.00 -0.39 0.00 0.00 64.86 63.34 2fsf h ILE 435 Cb 0.64 2.87 -0.05 0.00 -3.07 0.00 0.00 36.82 37.21 2fsf h ILE 435 CO -0.34 0.48 0.62 -0.61 -0.69 0.00 0.00 178.15 177.61 2fsf h GLN 436 N -0.80 0.12 0.04 2.37 5.75 -1.30 -1.64 115.11 119.65 2fsf h GLN 436 Ca -0.00 -0.01 -0.26 0.00 -0.15 0.00 0.00 58.65 58.23 2fsf h GLN 436 Cb 0.79 -0.03 0.02 0.00 1.07 0.00 0.00 27.48 29.32 2fsf h GLN 436 CO 0.00 0.08 -1.08 0.00 -2.65 0.00 0.00 178.83 175.18 2fsf h ALA 437 N 1.58 0.17 -0.95 3.38 0.00 -1.11 -2.16 119.26 120.17 2fsf h ALA 437 Ca 0.44 -0.73 0.10 0.00 0.00 0.00 0.00 54.91 54.71 2fsf h ALA 437 Cb 1.53 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.30 2fsf h ALA 437 CO -0.07 0.75 0.61 0.82 0.00 0.00 0.00 179.25 181.36 2fsf h ILE 438 N 0.29 0.98 -0.00 0.00 2.04 -0.29 -0.89 117.51 119.63 2fsf h ILE 438 Ca -0.13 -0.34 -0.12 0.00 1.00 0.00 0.00 64.86 65.28 2fsf h ILE 438 Cb 1.74 -0.09 0.01 0.00 -0.74 0.00 0.00 36.82 37.74 2fsf h ILE 438 CO 0.20 0.18 -0.45 0.40 0.00 0.00 0.00 178.15 178.48 2fsf h ILE 439 N 0.98 1.48 -0.16 -0.67 1.08 -1.19 -2.21 117.51 116.81 2fsf h ILE 439 Ca 0.44 -2.01 -0.02 0.00 -0.39 0.00 0.00 64.86 62.88 2fsf h ILE 439 Cb 0.39 2.65 -0.01 0.00 -3.07 0.00 0.00 36.82 36.78 2fsf h ILE 439 CO -0.20 0.57 -0.01 -0.08 -0.69 0.00 0.00 178.15 177.74 2fsf h GLU 440 N -0.27 0.23 0.78 2.37 4.57 -1.17 0.09 114.58 121.18 2fsf h GLU 440 Ca -0.05 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.06 2fsf h GLU 440 Cb 1.17 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 2fsf h GLU 440 CO 0.09 0.27 -0.41 0.22 -1.18 0.00 0.00 179.01 177.99 2fsf h ASP 441 N 0.23 -1.00 -0.87 1.04 1.82 -1.07 -2.18 116.42 114.39 2fsf h ASP 441 Ca 0.05 0.04 0.16 0.00 -0.39 0.00 0.00 57.03 56.90 2fsf h ASP 441 Cb 0.18 0.27 -0.07 0.00 0.68 0.00 0.00 39.33 40.40 2fsf h ASP 441 CO 0.00 -0.67 0.57 0.40 -1.61 0.00 0.00 179.24 177.93 2fsf h ILE 442 N -1.10 0.78 -0.19 2.25 2.04 -1.10 -1.74 117.51 118.45 2fsf h ILE 442 Ca -0.10 -0.19 -0.16 0.00 1.00 0.00 0.00 64.86 65.40 2fsf h ILE 442 Cb 0.86 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 2fsf h ILE 442 CO 0.15 0.10 -0.52 0.50 0.00 0.00 0.00 178.15 178.38 2fsf h LYS 443 N 0.56 0.68 -0.06 2.37 3.64 -0.71 -2.10 116.57 120.94 2fsf h LYS 443 Ca 0.44 -0.48 -0.22 0.00 -1.27 0.00 0.00 60.65 59.12 2fsf h LYS 443 Cb 0.87 0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.78 2fsf h LYS 443 CO -0.19 1.10 -0.86 0.93 -2.27 0.00 0.00 179.45 178.17 2fsf h GLU 444 N 0.38 0.55 -0.39 1.90 5.08 -0.95 -2.61 114.58 118.53 2fsf h GLU 444 Ca -0.01 -0.51 -0.16 0.00 -1.00 0.00 0.00 59.36 57.68 2fsf h GLU 444 Cb 1.14 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 2fsf h GLU 444 CO 0.11 1.14 -0.37 0.00 -1.00 0.00 0.00 179.01 178.89 2fsf h ARG 445 N 0.35 0.95 -0.09 2.33 3.08 -1.31 -3.18 114.38 116.50 2fsf h ARG 445 Ca -0.07 -0.49 -0.19 0.00 0.07 0.00 0.00 59.98 59.30 2fsf h ARG 445 Cb 1.48 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.54 2fsf h ARG 445 CO 0.16 1.15 -0.74 1.79 -1.07 0.00 0.00 179.97 181.26 2fsf h THR 446 N 0.78 1.36 0.00 2.04 1.35 -1.42 -0.85 112.91 116.16 2fsf h THR 446 Ca 0.07 -2.11 0.00 0.00 -0.55 0.00 0.00 66.41 63.82 2fsf h THR 446 Cb 0.97 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 2fsf h THR 446 CO 0.09 0.64 0.00 0.00 -0.25 0.00 0.00 175.52 176.00 2fsf h ALA 447 N 0.87 1.00 -0.26 6.62 0.00 -1.50 -1.67 119.26 124.32 2fsf h ALA 447 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2fsf h ALA 447 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2fsf h ALA 447 CO 0.13 0.00 0.00 1.63 0.00 0.00 0.00 179.25 181.01 2fsf n LYS 448 N -2.57 2.22 -0.58 0.00 5.02 -0.85 -4.94 118.16 116.45 2fsf n LYS 448 Ca -0.01 -2.04 0.00 0.00 -2.02 0.00 0.00 58.31 54.24 2fsf n LYS 448 Cb 0.09 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 2fsf n LYS 448 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2fsf n GLY 449 N 1.25 0.68 3.74 0.72 0.00 -0.63 -4.76 105.19 106.20 2fsf n GLY 449 Ca 0.16 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 2fsf n GLY 449 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2fsf s GLN 450 N -0.66 4.40 0.43 1.61 0.74 -0.38 -2.52 119.66 123.27 2fsf s GLN 450 Ca 0.00 0.85 -0.10 0.00 0.05 0.00 0.00 55.36 56.16 2fsf s GLN 450 Cb 0.00 -3.38 -0.06 0.00 1.10 0.00 0.00 33.01 30.67 2fsf s GLN 450 CO 0.00 0.26 0.80 -1.25 -0.55 0.00 0.00 175.29 174.55 2fsf s PRO 451 N 0.12 3.76 -0.04 1.67 0.04 -1.26 -3.60 135.00 135.68 2fsf s PRO 451 Ca 0.34 0.48 0.03 0.00 0.04 0.00 0.00 61.00 61.89 2fsf s PRO 451 Cb -0.19 -2.36 0.01 0.00 0.04 0.00 0.00 34.50 32.00 2fsf s PRO 451 CO 0.19 -0.09 -0.11 0.08 0.04 0.00 0.00 177.00 177.10 2fsf s VAL 452 N -2.46 0.99 -0.13 -0.36 1.01 0.62 -1.69 120.40 118.37 2fsf s VAL 452 Ca 0.51 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 62.04 2fsf s VAL 452 Cb -0.10 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 2fsf s VAL 452 CO 0.34 0.31 -0.09 -0.22 0.00 0.00 0.00 175.10 175.44 2fsf s LEU 453 N 0.42 2.98 -0.17 3.92 2.96 -0.40 -1.92 118.68 126.48 2fsf s LEU 453 Ca -0.08 -0.21 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 2fsf s LEU 453 Cb -0.12 -1.69 0.02 0.00 0.50 0.00 0.00 46.19 44.89 2fsf s LEU 453 CO 0.02 0.19 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.34 2fsf s VAL 454 N 0.23 2.04 -0.12 1.68 1.01 0.24 -1.20 120.40 124.28 2fsf s VAL 454 Ca -0.06 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 60.96 2fsf s VAL 454 Cb -0.15 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 2fsf s VAL 454 CO 0.04 0.54 -0.04 -0.83 0.00 0.00 0.00 175.10 174.81 2fsf s GLY 455 N 1.14 1.73 0.38 4.51 0.00 0.11 0.04 107.32 115.23 2fsf s GLY 455 Ca 0.01 -0.83 0.05 0.00 0.00 0.00 0.00 44.72 43.95 2fsf s GLY 455 CO -0.09 -0.30 0.03 -0.51 0.00 0.00 0.00 173.10 172.23 2fsf s THR 456 N -0.13 1.58 -0.47 0.90 -4.23 0.86 -1.86 115.64 112.30 2fsf s THR 456 Ca 0.03 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.73 2fsf s THR 456 Cb -0.13 -2.86 -0.26 0.00 1.34 0.00 0.00 72.50 70.60 2fsf s THR 456 CO 0.02 0.00 0.62 2.30 -0.54 0.00 0.00 174.62 177.03 2fsf n ILE 457 N -0.86 0.00 -3.98 2.99 -5.35 -1.26 0.30 119.36 111.20 2fsf n ILE 457 Ca -0.05 -0.25 -0.10 0.00 -0.27 0.00 0.00 62.75 62.09 2fsf n ILE 457 Cb 0.67 0.53 -0.06 0.00 -1.74 0.00 0.00 39.64 39.04 2fsf n ILE 457 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2fsf s SER 458 N -3.52 -0.03 0.08 7.28 1.04 -1.26 -4.41 113.70 112.89 2fsf s SER 458 Ca 0.00 -0.92 -0.18 0.00 0.48 0.00 0.00 55.95 55.33 2fsf s SER 458 Cb 0.14 0.50 -0.08 0.00 0.10 0.00 0.00 66.02 66.68 2fsf s SER 458 CO 0.80 -1.00 1.51 0.40 0.98 0.00 0.00 173.24 175.93 2fsf h ILE 459 N 2.40 1.26 -0.63 -1.02 5.03 -1.98 0.61 117.51 123.18 2fsf h ILE 459 Ca -0.30 -0.95 -0.06 0.00 -0.12 0.00 0.00 64.86 63.43 2fsf h ILE 459 Cb 1.24 1.38 -0.03 0.00 -3.03 0.00 0.00 36.82 36.39 2fsf h ILE 459 CO 0.43 0.30 0.15 -0.33 -0.68 0.00 0.00 178.15 178.02 2fsf h GLU 460 N 0.23 1.02 -0.53 2.37 3.07 -1.98 0.52 114.58 119.27 2fsf h GLU 460 Ca 0.07 -0.25 -0.01 0.00 -0.50 0.00 0.00 59.36 58.67 2fsf h GLU 460 Cb 0.44 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.19 2fsf h GLU 460 CO 0.02 0.92 0.28 0.87 -1.40 0.00 0.00 179.01 179.70 2fsf h LYS 461 N 0.94 0.75 -0.72 2.33 6.56 -1.74 -0.48 116.57 124.20 2fsf h LYS 461 Ca 0.20 -0.10 0.08 0.00 -1.06 0.00 0.00 60.65 59.78 2fsf h LYS 461 Cb 0.36 -0.14 -0.05 0.00 -0.57 0.00 0.00 32.23 31.83 2fsf h LYS 461 CO 0.00 0.59 0.48 0.77 -2.06 0.00 0.00 179.45 179.23 2fsf h SER 462 N 0.71 0.60 0.78 0.86 0.02 0.11 -2.40 113.55 114.23 2fsf h SER 462 Ca 0.19 0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 61.00 2fsf h SER 462 Cb 0.07 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 2fsf h SER 462 CO -0.03 0.37 -0.70 -0.33 -1.14 0.00 0.00 176.83 175.01 2fsf h GLU 463 N 0.67 0.00 0.07 3.45 5.08 0.43 -2.06 114.58 122.22 2fsf h GLU 463 Ca 0.32 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2fsf h GLU 463 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2fsf h GLU 463 CO -0.11 0.70 -0.03 1.25 -1.00 0.00 0.00 179.01 179.81 2fsf h LEU 464 N 0.00 -0.08 -0.38 1.33 5.85 -0.58 0.10 115.31 121.56 2fsf h LEU 464 Ca -0.01 -0.41 0.05 0.00 0.84 0.00 0.00 57.88 58.36 2fsf h LEU 464 Cb 1.27 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.27 2fsf h LEU 464 CO 0.09 0.38 0.11 1.62 -0.34 0.00 0.00 178.44 180.31 2fsf h VAL 465 N -0.55 0.85 -0.31 1.05 3.04 -1.61 0.72 116.25 119.45 2fsf h VAL 465 Ca -0.01 -0.09 0.02 0.00 -1.01 0.00 0.00 66.70 65.61 2fsf h VAL 465 Cb 0.48 0.58 -0.03 0.00 -2.01 0.00 0.00 31.29 30.31 2fsf h VAL 465 CO 0.01 0.05 0.15 -1.28 -1.01 0.00 0.00 177.57 175.49 2fsf h SER 466 N 0.26 0.21 -0.66 3.17 0.87 -1.40 0.40 113.55 116.40 2fsf h SER 466 Ca 0.18 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.71 2fsf h SER 466 Cb 0.18 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 2fsf h SER 466 CO -0.20 0.16 0.24 0.78 -0.53 0.00 0.00 176.83 177.28 2fsf h ASN 467 N 0.31 0.93 0.37 6.23 4.21 -0.55 -1.81 115.58 125.27 2fsf h ASN 467 Ca 0.13 -0.19 -0.09 0.00 1.21 0.00 0.00 56.30 57.36 2fsf h ASN 467 Cb 0.05 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.00 2fsf h ASN 467 CO -0.09 0.86 -0.40 -0.33 -1.29 0.00 0.00 177.43 176.18 2fsf h GLU 468 N 0.94 0.04 -0.82 0.81 4.39 -0.30 -0.73 114.58 118.90 2fsf h GLU 468 Ca 0.22 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.93 2fsf h GLU 468 Cb 0.24 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 2fsf h GLU 468 CO -0.01 0.44 0.54 -0.07 -1.16 0.00 0.00 179.01 178.75 2fsf h LEU 469 N 0.04 0.90 -0.01 1.33 3.38 0.45 -0.40 115.31 120.99 2fsf h LEU 469 Ca 0.00 -0.01 -0.27 0.00 0.09 0.00 0.00 57.88 57.69 2fsf h LEU 469 Cb 0.73 -0.21 0.02 0.00 0.09 0.00 0.00 40.66 41.29 2fsf h LEU 469 CO 0.05 0.63 -1.04 0.74 0.09 0.00 0.00 178.44 178.91 2fsf h THR 470 N 1.04 1.28 -0.64 0.22 2.02 -1.03 0.15 112.91 115.96 2fsf h THR 470 Ca 0.32 -2.26 0.05 0.00 0.77 0.00 0.00 66.41 65.28 2fsf h THR 470 Cb -0.01 2.39 -0.04 0.00 -1.74 0.00 0.00 68.15 68.75 2fsf h THR 470 CO -0.09 0.70 0.43 0.50 0.37 0.00 0.00 175.52 177.43 2fsf h LYS 471 N 0.39 0.68 0.00 6.66 3.64 -0.97 -1.61 116.57 125.36 2fsf h LYS 471 Ca -0.13 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 2fsf h LYS 471 Cb 1.70 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.36 2fsf h LYS 471 CO 0.20 0.45 0.00 0.00 -2.27 0.00 0.00 179.45 177.83 2fsf n ALA 472 N -2.46 2.33 -0.63 5.00 0.00 -0.17 -4.90 120.51 119.68 2fsf n ALA 472 Ca 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2fsf n ALA 472 Cb 0.18 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.22 2fsf n ALA 472 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fsf n GLY 473 N 0.76 0.66 3.45 0.00 0.00 -0.56 -5.03 105.19 104.46 2fsf n GLY 473 Ca 0.14 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 2fsf n GLY 473 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2fsf s ILE 474 N -2.00 4.89 0.33 -0.61 1.01 0.36 -4.98 121.20 120.21 2fsf s ILE 474 Ca 0.00 -0.56 -0.29 0.00 0.00 0.00 0.00 60.65 59.80 2fsf s ILE 474 Cb 0.00 -3.62 -0.11 0.00 0.01 0.00 0.00 42.46 38.74 2fsf s ILE 474 CO 0.00 -0.12 1.43 -0.54 0.00 0.00 0.00 174.94 175.71 2fsf s LYS 475 N 1.63 4.22 0.29 2.79 -0.14 -1.26 -4.26 119.74 123.02 2fsf s LYS 475 Ca 0.04 2.41 -0.19 0.00 -1.36 0.00 0.00 55.97 56.87 2fsf s LYS 475 Cb -0.18 -3.03 0.05 0.00 -1.68 0.00 0.00 37.83 32.99 2fsf s LYS 475 CO 0.08 -0.41 0.84 -3.38 -0.76 0.00 0.00 175.35 171.73 2fsf s HIS 476 N -0.84 0.01 -0.02 3.18 -3.43 -1.26 -4.21 115.29 108.72 2fsf s HIS 476 Ca 0.54 -0.54 0.04 0.00 -0.80 0.00 0.00 55.06 54.30 2fsf s HIS 476 Cb -0.44 0.76 -0.01 0.00 -1.43 0.00 0.00 32.58 31.47 2fsf s HIS 476 CO 0.55 -1.28 -0.14 -0.80 -2.00 0.00 0.00 174.74 171.07 2fsf s ASN 477 N -3.09 1.74 0.00 7.38 -0.87 0.03 -4.99 114.94 115.14 2fsf s ASN 477 Ca 0.15 -0.27 -0.19 0.00 -1.57 0.00 0.00 52.86 50.98 2fsf s ASN 477 Cb -0.04 -0.35 -0.06 0.00 -0.02 0.00 0.00 41.25 40.78 2fsf s ASN 477 CO 0.08 0.14 0.53 -0.69 -2.57 0.00 0.00 177.10 174.60 2fsf s VAL 478 N -0.09 4.92 -1.11 1.60 1.01 -1.26 -0.68 120.40 124.79 2fsf s VAL 478 Ca 0.01 1.12 -0.21 0.00 0.00 0.00 0.00 61.98 62.89 2fsf s VAL 478 Cb -0.08 -3.86 0.04 0.00 0.00 0.00 0.00 36.38 32.48 2fsf s VAL 478 CO 0.01 0.47 1.61 -0.76 0.00 0.00 0.00 175.10 176.43 2fsf s LEU 479 N -0.49 3.57 -0.30 3.92 1.43 0.41 -4.90 118.68 122.31 2fsf s LEU 479 Ca 0.28 -1.73 -0.29 0.00 -1.03 0.00 0.00 54.13 51.36 2fsf s LEU 479 Cb -0.18 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.47 2fsf s LEU 479 CO 0.16 -1.57 1.26 0.21 0.23 0.00 0.00 176.35 176.65 2fsf s ASN 480 N 5.04 6.72 0.24 2.29 3.84 -1.26 -4.67 114.94 127.14 2fsf s ASN 480 Ca 0.52 1.20 0.16 0.00 0.21 0.00 0.00 52.86 54.94 2fsf s ASN 480 Cb 0.01 -2.54 0.87 0.00 -0.55 0.00 0.00 41.25 39.04 2fsf s ASN 480 CO -0.02 -1.04 1.49 0.00 -2.79 0.00 0.00 177.10 174.74 2fsf n ALA 481 N 7.47 1.06 0.99 1.71 0.00 -1.26 -1.75 120.51 128.72 2fsf n ALA 481 Ca 0.14 0.15 0.14 0.00 0.00 0.00 0.00 53.44 53.87 2fsf n ALA 481 Cb 0.47 -1.24 0.58 0.00 0.00 0.00 0.00 19.45 19.25 2fsf n ALA 481 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2fsf n LYS 482 N -2.06 0.01 -3.42 0.00 5.02 -1.26 -4.59 118.16 111.86 2fsf n LYS 482 Ca -0.01 0.01 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 2fsf n LYS 482 Cb 0.03 -1.51 -0.10 0.00 -0.02 0.00 0.00 35.03 33.43 2fsf n LYS 482 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2fsf s PHE 483 N -3.00 1.22 0.06 2.13 0.08 -0.72 -4.98 117.98 112.77 2fsf s PHE 483 Ca 0.14 -2.38 0.33 0.00 0.12 0.00 0.00 56.93 55.14 2fsf s PHE 483 Cb 0.19 -1.02 1.30 0.00 -0.57 0.00 0.00 43.02 42.92 2fsf s PHE 483 CO 0.55 -0.81 1.96 0.45 -0.10 0.00 0.00 175.22 177.26 2fsf h HIS 484 N 5.64 0.00 0.14 0.36 3.86 -1.81 -0.54 115.15 122.80 2fsf h HIS 484 Ca 0.26 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 59.17 2fsf h HIS 484 Cb 0.90 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.37 2fsf h HIS 484 CO 0.29 0.00 -1.45 0.00 0.86 0.00 0.00 177.93 177.63 2fsf h ALA 485 N 2.00 0.17 -0.31 2.45 0.00 -1.94 -1.91 119.26 119.72 2fsf h ALA 485 Ca 0.00 -1.02 -0.01 0.00 0.00 0.00 0.00 54.91 53.88 2fsf h ALA 485 Cb 0.54 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2fsf h ALA 485 CO 0.00 1.04 0.17 -0.91 0.00 0.00 0.00 179.25 179.55 2fsf h ASN 486 N 0.08 0.39 -0.32 0.00 2.35 -1.89 -2.60 115.58 113.59 2fsf h ASN 486 Ca -0.21 -0.09 0.05 0.00 -0.55 0.00 0.00 56.30 55.50 2fsf h ASN 486 Cb 2.02 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 40.24 2fsf h ASN 486 CO 0.19 0.37 0.02 -0.33 -1.65 0.00 0.00 177.43 176.03 2fsf h GLU 487 N 0.39 0.12 0.00 0.81 5.08 -1.06 -0.07 114.58 119.84 2fsf h GLU 487 Ca 0.11 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 2fsf h GLU 487 Cb 0.07 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2fsf h GLU 487 CO -0.02 0.08 -0.19 0.00 -1.00 0.00 0.00 179.01 177.88 2fsf h ALA 488 N 1.27 1.02 -0.21 3.43 0.00 -1.38 -1.41 119.26 121.98 2fsf h ALA 488 Ca 0.15 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 2fsf h ALA 488 Cb 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2fsf h ALA 488 CO -0.24 0.23 -0.50 0.00 0.00 0.00 0.00 179.25 178.74 2fsf h ALA 489 N 1.81 0.72 -0.36 0.00 0.00 -0.99 -3.16 119.26 117.29 2fsf h ALA 489 Ca -0.00 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 2fsf h ALA 489 Cb 0.70 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2fsf h ALA 489 CO 0.02 0.68 -0.00 0.82 0.00 0.00 0.00 179.25 180.77 2fsf h ILE 490 N 0.46 1.26 0.00 0.00 2.04 -0.55 -3.14 117.51 117.59 2fsf h ILE 490 Ca 0.02 -0.98 -0.03 0.00 1.00 0.00 0.00 64.86 64.86 2fsf h ILE 490 Cb 1.04 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 38.31 2fsf h ILE 490 CO 0.10 0.33 -0.16 0.58 0.00 0.00 0.00 178.15 178.99 2fsf h VAL 491 N 0.44 0.58 0.20 1.67 2.07 -1.32 -2.95 116.25 116.94 2fsf h VAL 491 Ca 0.10 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 2fsf h VAL 491 Cb 0.46 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 2fsf h VAL 491 CO 0.02 0.16 -0.11 0.00 0.02 0.00 0.00 177.57 177.66 2fsf h ALA 492 N 1.84 -1.01 0.00 1.67 0.00 -1.51 -3.14 119.26 117.10 2fsf h ALA 492 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2fsf h ALA 492 Cb 0.48 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2fsf h ALA 492 CO 0.02 -1.00 0.00 1.04 0.00 0.00 0.00 179.25 179.31 2fsf n GLN 493 N -2.89 0.85 0.19 0.00 6.02 -1.18 -4.35 117.38 116.03 2fsf n GLN 493 Ca -0.04 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.01 2fsf n GLN 493 Cb 0.12 -1.35 0.31 0.00 1.02 0.00 0.00 30.24 30.34 2fsf n GLN 493 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2fsf h ALA 494 N 2.01 0.94 -0.40 -1.58 0.00 -1.47 -2.35 119.26 116.41 2fsf h ALA 494 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2fsf h ALA 494 Cb 0.35 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2fsf h ALA 494 CO 0.00 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.12 2fsf n GLY 495 N 0.39 1.13 3.77 0.00 0.00 -1.25 -4.60 105.19 104.63 2fsf n GLY 495 Ca 0.00 -0.54 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 2fsf n GLY 495 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2fsf s TYR 496 N -1.47 2.72 -0.00 1.61 5.04 -0.89 -0.71 117.35 123.66 2fsf s TYR 496 Ca 0.34 1.54 -0.38 0.00 -2.44 0.00 0.00 57.07 56.13 2fsf s TYR 496 Cb 0.18 -3.30 -0.16 0.00 0.35 0.00 0.00 41.96 39.03 2fsf s TYR 496 CO 0.25 -1.53 1.44 -2.30 -1.34 0.00 0.00 175.55 172.07 2fsf n PRO 497 N -1.13 1.15 -0.93 4.97 -0.02 -1.26 -2.27 135.00 135.51 2fsf n PRO 497 Ca 0.11 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 2fsf n PRO 497 Cb 0.50 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 2fsf n PRO 497 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fsf n ALA 498 N 3.23 0.00 -1.77 3.55 0.00 -1.05 -4.86 120.51 119.61 2fsf n ALA 498 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.24 2fsf n ALA 498 Cb 0.18 -0.77 0.01 0.00 0.00 0.00 0.00 19.45 18.86 2fsf n ALA 498 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fsf s ALA 499 N -1.67 3.38 -0.07 0.00 0.00 -0.96 -4.85 121.76 117.59 2fsf s ALA 499 Ca 0.00 1.48 0.01 0.00 0.00 0.00 0.00 51.96 53.45 2fsf s ALA 499 Cb 0.00 -3.59 0.02 0.00 0.00 0.00 0.00 23.12 19.56 2fsf s ALA 499 CO 0.00 -1.09 -0.07 0.08 0.00 0.00 0.00 175.76 174.68 2fsf s VAL 500 N -1.17 0.80 -0.05 0.00 1.01 -1.26 -0.28 120.40 119.45 2fsf s VAL 500 Ca 0.57 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.35 2fsf s VAL 500 Cb -0.44 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.13 2fsf s VAL 500 CO 0.58 0.30 -0.14 -0.89 0.00 0.00 0.00 175.10 174.95 2fsf s THR 501 N 1.18 1.24 -0.29 3.92 2.01 -0.81 -0.79 115.64 122.10 2fsf s THR 501 Ca -0.06 -0.58 -0.10 0.00 0.31 0.00 0.00 61.69 61.27 2fsf s THR 501 Cb -0.14 -1.09 -0.03 0.00 0.01 0.00 0.00 72.50 71.25 2fsf s THR 501 CO -0.02 0.37 0.15 -0.63 -0.69 0.00 0.00 174.62 173.80 2fsf s ILE 502 N 0.34 4.80 -0.09 1.82 -1.09 0.15 -0.59 121.20 126.54 2fsf s ILE 502 Ca -0.09 -0.15 0.01 0.00 -2.23 0.00 0.00 60.65 58.18 2fsf s ILE 502 Cb -0.13 -3.35 -0.03 0.00 -1.58 0.00 0.00 42.46 37.37 2fsf s ILE 502 CO 0.03 0.19 -0.10 0.00 -1.23 0.00 0.00 174.94 173.83 2fsf s ALA 503 N 1.67 2.83 -0.15 9.38 0.00 0.11 -0.44 121.76 135.15 2fsf s ALA 503 Ca 0.06 -0.90 -0.10 0.00 0.00 0.00 0.00 51.96 51.02 2fsf s ALA 503 Cb -0.16 -1.21 -0.05 0.00 0.00 0.00 0.00 23.12 21.70 2fsf s ALA 503 CO 0.07 0.44 0.18 0.99 0.00 0.00 0.00 175.76 177.45 2fsf s THR 504 N -0.36 5.40 -0.47 0.00 2.01 -1.26 -0.10 115.64 120.86 2fsf s THR 504 Ca 0.05 0.31 -0.11 0.00 0.31 0.00 0.00 61.69 62.25 2fsf s THR 504 Cb -0.12 -3.49 0.01 0.00 0.01 0.00 0.00 72.50 68.91 2fsf s THR 504 CO 0.02 0.50 0.28 0.59 -0.69 0.00 0.00 174.62 175.32 2fsf n ASN 505 N 2.87 -1.83 -4.69 3.53 3.02 0.15 -4.63 115.26 113.68 2fsf n ASN 505 Ca -0.16 -0.52 -0.42 0.00 -0.03 0.00 0.00 54.58 53.45 2fsf n ASN 505 Cb 0.53 -0.67 -0.03 0.00 -0.61 0.00 0.00 39.78 39.00 2fsf n ASN 505 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2fsf s MET 506 N -5.22 4.20 0.47 3.52 1.75 -1.26 -4.97 119.30 117.80 2fsf s MET 506 Ca 0.15 2.31 -0.08 0.00 -1.25 0.00 0.00 55.69 56.81 2fsf s MET 506 Cb -0.08 -3.57 0.12 0.00 2.84 0.00 0.00 34.83 34.14 2fsf s MET 506 CO 0.41 -0.71 0.35 0.00 -0.65 0.00 0.00 175.02 174.42 2fsf n ALA 507 N 5.49 -1.50 -1.52 4.11 0.00 -1.26 -4.87 120.51 120.97 2fsf n ALA 507 Ca 0.16 -0.57 -0.34 0.00 0.00 0.00 0.00 53.44 52.69 2fsf n ALA 507 Cb 0.41 -0.04 0.06 0.00 0.00 0.00 0.00 19.45 19.87 2fsf n ALA 507 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2fsf s GLY 508 N -2.85 2.39 0.00 0.00 0.00 -1.26 -4.66 107.32 100.94 2fsf s GLY 508 Ca 0.25 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.76 2fsf s GLY 508 CO 0.20 1.18 0.00 -2.13 0.00 0.00 0.00 173.10 172.35 2fsf n ARG 509 N -2.29 0.00 0.00 2.90 3.00 -1.26 -4.96 116.66 114.05 2fsf n ARG 509 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.97 2fsf n ARG 509 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.97 2fsf n ARG 509 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2fsf n GLY 510 N 0.00 0.00 3.76 5.14 0.00 -1.26 -4.84 105.19 107.99 2fsf n GLY 510 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2fsf n GLY 510 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fsf s THR 511 N -0.09 3.21 0.17 2.61 2.01 -1.26 -4.99 115.64 117.30 2fsf s THR 511 Ca 0.00 1.20 -0.33 0.00 0.31 0.00 0.00 61.69 62.87 2fsf s THR 511 Cb 0.00 -3.77 -0.13 0.00 0.01 0.00 0.00 72.50 68.61 2fsf s THR 511 CO 0.00 0.28 1.62 -0.67 -0.69 0.00 0.00 174.62 175.17 2fsf n ASP 512 N 1.12 3.36 -4.61 3.53 2.03 -1.26 -4.96 116.55 115.75 2fsf n ASP 512 Ca -0.00 1.07 -0.39 0.00 0.52 0.00 0.00 54.79 55.99 2fsf n ASP 512 Cb 0.44 -1.47 -0.08 0.00 -0.72 0.00 0.00 41.12 39.28 2fsf n ASP 512 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2fsf s ILE 513 N 1.04 5.12 -0.19 5.18 1.01 -1.26 -4.96 121.20 127.14 2fsf s ILE 513 Ca 0.78 0.73 -0.17 0.00 0.00 0.00 0.00 60.65 61.99 2fsf s ILE 513 Cb -0.63 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 2fsf s ILE 513 CO 0.36 0.13 0.44 -0.69 0.00 0.00 0.00 174.94 175.18 2fsf s VAL 514 N 2.16 5.18 0.09 2.92 1.01 -1.26 -4.87 120.40 125.64 2fsf s VAL 514 Ca 0.18 0.80 -0.31 0.00 0.00 0.00 0.00 61.98 62.65 2fsf s VAL 514 Cb -0.16 -3.77 -0.08 0.00 0.00 0.00 0.00 36.38 32.37 2fsf s VAL 514 CO 0.09 0.25 1.58 -0.76 0.00 0.00 0.00 175.10 176.26 2fsf s LEU 515 N 1.25 4.36 0.00 3.92 1.43 -1.26 -1.25 118.68 127.13 2fsf s LEU 515 Ca 0.21 2.47 0.00 0.00 -1.03 0.00 0.00 54.13 55.78 2fsf s LEU 515 Cb -0.15 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.50 2fsf s LEU 515 CO 0.09 -0.83 0.00 0.61 0.23 0.00 0.00 176.35 176.44 2fsf n GLY 516 N 3.84 1.82 0.00 -3.19 0.00 0.11 -4.44 105.19 103.34 2fsf n GLY 516 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2fsf n GLY 516 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fsf n GLY 517 N -2.00 1.27 3.70 -0.02 0.00 -0.38 -4.56 105.19 103.20 2fsf n GLY 517 Ca 0.00 -1.89 -0.39 0.00 0.00 0.00 0.00 46.02 43.74 2fsf n GLY 517 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2fsf s SER 518 N -0.56 6.72 0.05 1.61 1.04 -1.26 -4.77 113.70 116.54 2fsf s SER 518 Ca 0.00 0.87 -0.21 0.00 0.48 0.00 0.00 55.95 57.09 2fsf s SER 518 Cb 0.00 -2.32 -0.13 0.00 0.10 0.00 0.00 66.02 63.67 2fsf s SER 518 CO 0.00 -0.10 1.45 4.11 0.98 0.00 0.00 173.24 179.68 2fsf h TRP 519 N 7.00 0.33 -0.97 5.02 5.08 -1.93 -2.72 115.95 127.76 2fsf h TRP 519 Ca -0.38 -0.07 0.27 0.00 1.08 0.00 0.00 58.89 59.80 2fsf h TRP 519 Cb 1.17 -0.08 -0.14 0.00 -3.00 0.00 0.00 29.16 27.11 2fsf h TRP 519 CO 0.66 0.56 0.50 1.96 -1.28 0.00 0.00 178.44 180.84 2fsf h GLN 520 N 0.01 0.37 -0.63 0.12 7.50 -1.97 -0.02 115.11 120.50 2fsf h GLN 520 Ca 0.04 -0.02 -0.02 0.00 0.50 0.00 0.00 58.65 59.15 2fsf h GLN 520 Cb 0.45 -0.08 -0.03 0.00 0.05 0.00 0.00 27.48 27.87 2fsf h GLN 520 CO 0.01 0.25 0.31 0.00 -1.50 0.00 0.00 178.83 177.90 2fsf h ALA 521 N 1.79 0.81 -0.03 3.87 0.00 -1.90 -2.15 119.26 121.65 2fsf h ALA 521 Ca 0.66 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.46 2fsf h ALA 521 Cb 1.38 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2fsf h ALA 521 CO -0.57 0.37 -0.12 0.93 0.00 0.00 0.00 179.25 179.87 2fsf h GLU 522 N 0.87 -0.18 -0.46 0.00 5.08 -0.81 -2.61 114.58 116.46 2fsf h GLU 522 Ca 0.22 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.64 2fsf h GLU 522 Cb 0.11 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 2fsf h GLU 522 CO -0.03 -0.12 0.31 -0.24 -1.00 0.00 0.00 179.01 177.93 2fsf h VAL 523 N -0.19 1.00 0.00 3.13 3.04 -1.37 -1.00 116.25 120.87 2fsf h VAL 523 Ca 0.06 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.59 2fsf h VAL 523 Cb 0.26 0.52 0.00 0.00 -2.01 0.00 0.00 31.29 30.06 2fsf h VAL 523 CO -0.15 0.08 0.00 0.00 -1.01 0.00 0.00 177.57 176.50 2fsf n ALA 524 N -2.50 1.87 -0.11 3.17 0.00 -0.82 -1.63 120.51 120.50 2fsf n ALA 524 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.35 2fsf n ALA 524 Cb 0.20 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.53 2fsf n ALA 524 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fsf n ALA 525 N 0.14 1.50 -1.67 0.00 0.00 -0.38 -5.02 120.51 115.09 2fsf n ALA 525 Ca 0.00 -1.05 -0.43 0.00 0.00 0.00 0.00 53.44 51.96 2fsf n ALA 525 Cb 0.13 -0.07 -0.03 0.00 0.00 0.00 0.00 19.45 19.48 2fsf n ALA 525 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2fsf n LEU 526 N -3.08 4.03 0.15 0.00 4.77 -0.64 -4.89 117.00 117.33 2fsf n LEU 526 Ca -0.39 0.92 0.02 0.00 -0.03 0.00 0.00 56.01 56.53 2fsf n LEU 526 Cb 0.98 -1.50 0.17 0.00 -2.33 0.00 0.00 43.42 40.74 2fsf n LEU 526 CO 0.27 0.15 0.52 -0.33 -1.33 0.00 0.00 177.39 176.67 2fsf h GLU 527 N 10.12 0.00 -2.52 3.23 4.39 -1.95 -3.38 114.58 124.47 2fsf h GLU 527 Ca -0.49 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 58.62 2fsf h GLU 527 Cb 1.24 0.00 -0.39 0.00 -0.10 0.00 0.00 28.75 29.51 2fsf h GLU 527 CO 0.94 0.54 -0.89 -0.80 -1.16 0.00 0.00 179.01 177.65 2fsf s ASN 528 N -6.57 2.52 0.31 1.42 0.02 -1.26 -5.12 114.94 106.26 2fsf s ASN 528 Ca 0.01 -2.44 -0.29 0.00 -1.02 0.00 0.00 52.86 49.12 2fsf s ASN 528 Cb 0.10 -0.41 -0.10 0.00 0.02 0.00 0.00 41.25 40.87 2fsf s ASN 528 CO 0.73 -0.27 1.14 -2.16 0.02 0.00 0.00 177.10 176.56 2fsf s PRO 529 N 0.77 4.51 0.00 -0.60 0.04 -1.26 -5.09 135.00 133.37 2fsf s PRO 529 Ca 0.22 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.12 2fsf s PRO 529 Cb -0.15 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.31 2fsf s PRO 529 CO -0.05 0.07 0.00 -2.37 0.04 0.00 0.00 177.00 174.69 2fsf n THR 530 N 0.94 0.00 -0.03 1.26 5.66 -1.26 -5.03 114.28 115.82 2fsf n THR 530 Ca -0.00 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.87 2fsf n THR 530 Cb 0.45 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.12 2fsf n THR 530 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2fsf h ALA 531 N 1.00 -0.01 0.00 1.79 0.00 -2.00 -2.92 119.26 117.12 2fsf h ALA 531 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2fsf h ALA 531 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2fsf h ALA 531 CO 0.00 -0.16 0.00 -0.85 0.00 0.00 0.00 179.25 178.24 2fsf n GLU 532 N -4.76 0.17 0.00 0.00 -0.00 -1.26 -2.27 120.64 112.52 2fsf n GLU 532 Ca -0.09 0.06 0.00 0.00 -0.00 0.00 0.00 57.16 57.13 2fsf n GLU 532 Cb 0.34 -1.50 0.00 0.00 -0.00 0.00 0.00 31.44 30.28 2fsf n GLU 532 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2fsf n GLN 533 N -1.40 0.00 -0.21 3.44 6.02 -1.12 -0.85 117.38 123.26 2fsf n GLN 533 Ca 0.09 0.42 0.03 0.00 -0.01 0.00 0.00 57.00 57.53 2fsf n GLN 533 Cb 0.25 -0.99 0.08 0.00 1.02 0.00 0.00 30.24 30.59 2fsf n GLN 533 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2fsf n ILE 534 N -1.75 -0.25 -0.11 5.09 2.08 -1.13 -0.32 119.36 122.98 2fsf n ILE 534 Ca 0.00 1.34 -0.09 0.00 0.56 0.00 0.00 62.75 64.56 2fsf n ILE 534 Cb 0.00 -1.85 -0.01 0.00 -0.75 0.00 0.00 39.64 37.03 2fsf n ILE 534 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2fsf h GLU 535 N 0.00 0.49 0.06 0.38 3.07 -1.46 0.44 114.58 117.56 2fsf h GLU 535 Ca 0.28 -0.05 0.03 0.00 -0.50 0.00 0.00 59.36 59.11 2fsf h GLU 535 Cb 0.42 -0.10 -0.05 0.00 -0.84 0.00 0.00 28.75 28.19 2fsf h GLU 535 CO -0.60 0.38 -0.36 -0.22 -1.40 0.00 0.00 179.01 176.81 2fsf h LYS 536 N 0.45 -0.53 -0.17 2.33 3.11 0.13 0.07 116.57 121.96 2fsf h LYS 536 Ca 0.13 0.04 0.05 0.00 -2.81 0.00 0.00 60.65 58.05 2fsf h LYS 536 Cb 0.03 0.12 -0.07 0.00 -1.00 0.00 0.00 32.23 31.31 2fsf h LYS 536 CO -0.02 -0.35 -0.31 0.82 -2.81 0.00 0.00 179.45 176.77 2fsf h ILE 537 N -0.55 0.29 -0.61 2.00 2.04 0.21 0.58 117.51 121.46 2fsf h ILE 537 Ca 0.04 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.86 2fsf h ILE 537 Cb 0.61 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 2fsf h ILE 537 CO -0.25 0.00 0.22 0.50 0.00 0.00 0.00 178.15 178.62 2fsf h LYS 538 N -0.37 0.90 0.13 2.37 3.64 -0.02 0.10 116.57 123.32 2fsf h LYS 538 Ca 0.11 -0.15 -0.28 0.00 -1.27 0.00 0.00 60.65 59.06 2fsf h LYS 538 Cb 0.54 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.21 2fsf h LYS 538 CO -0.38 0.75 -1.23 0.00 -2.27 0.00 0.00 179.45 176.33 2fsf h ALA 539 N 1.36 0.10 -0.63 5.00 0.00 -0.74 -1.31 119.26 123.04 2fsf h ALA 539 Ca 0.21 -0.86 0.02 0.00 0.00 0.00 0.00 54.91 54.28 2fsf h ALA 539 Cb 0.21 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2fsf h ALA 539 CO -0.01 0.92 0.40 -0.44 0.00 0.00 0.00 179.25 180.11 2fsf h ASP 540 N 0.11 0.67 -0.03 0.00 3.45 -0.75 -2.88 116.42 117.00 2fsf h ASP 540 Ca -0.14 -0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.31 2fsf h ASP 540 Cb 1.94 -0.15 -0.00 0.00 -0.56 0.00 0.00 39.33 40.56 2fsf h ASP 540 CO 0.21 0.48 0.01 -0.25 -1.57 0.00 0.00 179.24 178.12 2fsf h TRP 541 N 0.80 0.04 -0.83 4.55 7.01 -0.97 -2.80 115.95 123.74 2fsf h TRP 541 Ca 0.24 -0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.34 2fsf h TRP 541 Cb -0.03 -0.01 -0.06 0.00 -2.10 0.00 0.00 29.16 26.96 2fsf h TRP 541 CO -0.04 0.10 0.54 0.37 -2.79 0.00 0.00 178.44 176.62 2fsf h GLN 542 N -0.04 0.77 -0.67 2.65 5.75 -1.19 0.54 115.11 122.91 2fsf h GLN 542 Ca 0.01 -0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 58.40 2fsf h GLN 542 Cb 0.08 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.42 2fsf h GLN 542 CO -0.00 0.51 0.18 0.28 -2.65 0.00 0.00 178.83 177.15 2fsf h VAL 543 N 0.79 1.26 -0.18 2.39 2.07 -1.43 -1.32 116.25 119.83 2fsf h VAL 543 Ca 0.38 -0.92 -0.11 0.00 0.82 0.00 0.00 66.70 66.88 2fsf h VAL 543 Cb 0.43 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2fsf h VAL 543 CO -0.15 0.35 -0.30 0.03 0.02 0.00 0.00 177.57 177.51 2fsf h ARG 544 N 0.99 0.53 -0.65 1.57 3.08 -0.88 -1.84 114.38 117.18 2fsf h ARG 544 Ca 0.21 -0.32 0.08 0.00 0.07 0.00 0.00 59.98 60.02 2fsf h ARG 544 Cb 0.34 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.35 2fsf h ARG 544 CO -0.00 0.93 0.30 1.25 -1.07 0.00 0.00 179.97 181.38 2fsf h HIS 545 N 0.18 0.54 -0.05 3.04 2.76 0.02 0.22 115.15 121.86 2fsf h HIS 545 Ca 0.01 0.03 -0.20 0.00 -2.20 0.00 0.00 60.37 58.01 2fsf h HIS 545 Cb 0.89 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 29.70 2fsf h HIS 545 CO 0.09 0.20 -0.81 -0.44 -1.30 0.00 0.00 177.93 175.66 2fsf h ASP 546 N 0.54 0.53 -0.44 3.26 3.32 -1.24 -1.28 116.42 121.10 2fsf h ASP 546 Ca 0.31 -0.37 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 2fsf h ASP 546 Cb 0.32 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 2fsf h ASP 546 CO -0.26 1.14 0.18 0.00 -1.72 0.00 0.00 179.24 178.58 2fsf h ALA 547 N 0.84 0.58 -0.71 3.45 0.00 -1.11 -1.43 119.26 120.88 2fsf h ALA 547 Ca -0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2fsf h ALA 547 Cb 1.42 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 2fsf h ALA 547 CO 0.14 0.18 0.37 0.28 0.00 0.00 0.00 179.25 180.22 2fsf h VAL 548 N 0.57 1.22 -0.53 0.00 2.07 -0.91 -0.78 116.25 117.89 2fsf h VAL 548 Ca 0.15 -0.59 0.03 0.00 0.82 0.00 0.00 66.70 67.11 2fsf h VAL 548 Cb 0.19 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 2fsf h VAL 548 CO -0.01 0.25 0.32 -0.07 0.02 0.00 0.00 177.57 178.08 2fsf h LEU 549 N 0.98 0.51 -0.81 2.57 3.38 -1.13 0.05 115.31 120.87 2fsf h LEU 549 Ca 0.25 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.15 2fsf h LEU 549 Cb 0.07 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2fsf h LEU 549 CO -0.04 0.36 -0.33 -0.08 0.09 0.00 0.00 178.44 178.44 2fsf h GLU 550 N 0.63 0.00 0.00 1.13 4.57 -1.14 -2.33 114.58 117.44 2fsf h GLU 550 Ca 0.22 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 2fsf h GLU 550 Cb 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 2fsf h GLU 550 CO -0.10 0.33 0.00 0.00 -1.18 0.00 0.00 179.01 178.06 2fsf n ALA 551 N -2.25 2.63 0.00 2.92 0.00 -0.31 -4.87 120.51 118.63 2fsf n ALA 551 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2fsf n ALA 551 Cb 0.52 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.56 2fsf n ALA 551 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fsf n GLY 552 N 0.87 1.25 7.00 0.00 0.00 -0.88 -4.68 105.19 108.75 2fsf n GLY 552 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2fsf n GLY 552 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fsf n GLY 553 N -1.18 -0.02 3.67 -0.02 0.00 -0.04 -2.25 105.19 105.35 2fsf n GLY 553 Ca 0.00 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.58 2fsf n GLY 553 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2fsf s LEU 554 N 0.00 4.25 -0.10 0.99 2.96 -1.25 -4.24 118.68 121.29 2fsf s LEU 554 Ca 0.00 1.93 -0.18 0.00 -0.22 0.00 0.00 54.13 55.65 2fsf s LEU 554 Cb 0.00 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.10 2fsf s LEU 554 CO 0.00 -0.79 0.49 -2.28 -1.32 0.00 0.00 176.35 172.46 2fsf s HIS 555 N 3.36 3.55 -0.26 5.38 5.65 -0.68 -1.86 115.29 130.43 2fsf s HIS 555 Ca 0.62 0.94 -0.10 0.00 0.25 0.00 0.00 55.06 56.76 2fsf s HIS 555 Cb -0.27 -2.55 -0.05 0.00 -1.18 0.00 0.00 32.58 28.54 2fsf s HIS 555 CO 0.21 0.21 0.16 0.42 -0.65 0.00 0.00 174.74 175.10 2fsf s ILE 556 N 0.44 5.24 -0.30 0.89 -1.09 -0.18 -1.27 121.20 124.93 2fsf s ILE 556 Ca 0.27 0.14 -0.11 0.00 -2.23 0.00 0.00 60.65 58.71 2fsf s ILE 556 Cb -0.16 -3.46 -0.03 0.00 -1.58 0.00 0.00 42.46 37.23 2fsf s ILE 556 CO 0.11 0.31 0.20 -0.63 -1.23 0.00 0.00 174.94 173.70 2fsf s ILE 557 N 1.37 5.19 -0.32 2.92 1.01 -0.34 -0.81 121.20 130.21 2fsf s ILE 557 Ca 0.07 -0.03 -0.20 0.00 0.00 0.00 0.00 60.65 60.49 2fsf s ILE 557 Cb -0.15 -3.55 -0.01 0.00 0.01 0.00 0.00 42.46 38.77 2fsf s ILE 557 CO 0.07 0.15 0.62 -0.83 0.00 0.00 0.00 174.94 174.95 2fsf s GLY 558 N 1.73 1.77 0.29 6.18 0.00 -0.68 -0.71 107.32 115.91 2fsf s GLY 558 Ca 0.06 -0.74 0.26 0.00 0.00 0.00 0.00 44.72 44.30 2fsf s GLY 558 CO 0.10 1.45 1.76 -0.91 0.00 0.00 0.00 173.10 175.49 2fsf h THR 559 N 5.59 0.00 -2.83 0.90 1.35 -1.64 -0.65 112.91 115.62 2fsf h THR 559 Ca -0.27 -0.47 -0.08 0.00 -0.55 0.00 0.00 66.41 65.04 2fsf h THR 559 Cb 1.12 1.39 -0.18 0.00 -1.73 0.00 0.00 68.15 68.75 2fsf h THR 559 CO 0.81 0.00 -0.09 -1.61 -0.25 0.00 0.00 175.52 174.38 2fsf s GLU 560 N -3.25 0.89 0.15 4.72 8.01 -1.24 -4.55 118.70 123.44 2fsf s GLU 560 Ca 0.07 -0.20 -0.07 0.00 0.01 0.00 0.00 54.97 54.78 2fsf s GLU 560 Cb 0.10 0.40 -0.06 0.00 -4.31 0.00 0.00 34.13 30.26 2fsf s GLU 560 CO 0.54 -0.29 0.43 1.03 0.01 0.00 0.00 175.26 176.98 2fsf s ARG 561 N -1.93 3.70 0.59 1.61 0.52 -1.26 -4.85 118.95 117.32 2fsf s ARG 561 Ca -0.09 0.07 -0.13 0.00 -0.52 0.00 0.00 55.73 55.06 2fsf s ARG 561 Cb -0.02 -2.82 -0.05 0.00 0.52 0.00 0.00 34.95 32.58 2fsf s ARG 561 CO 0.02 0.44 1.02 -1.01 0.02 0.00 0.00 175.30 175.79 2fsf s HIS 562 N -1.65 3.53 0.14 -0.53 3.76 -1.26 -4.83 115.29 114.45 2fsf s HIS 562 Ca 0.41 1.36 -0.15 0.00 -0.15 0.00 0.00 55.06 56.54 2fsf s HIS 562 Cb -0.12 -2.76 0.01 0.00 1.11 0.00 0.00 32.58 30.82 2fsf s HIS 562 CO 0.22 -0.61 1.65 1.49 -0.85 0.00 0.00 174.74 176.64 2fsf h GLU 563 N 0.11 0.70 -6.41 1.40 4.81 -1.99 -3.38 114.58 109.82 2fsf h GLU 563 Ca -0.45 -0.16 -0.57 0.00 -0.13 0.00 0.00 59.36 58.05 2fsf h GLU 563 Cb 1.19 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.42 2fsf h GLU 563 CO 0.61 0.69 1.01 0.45 -0.73 0.00 0.00 179.01 181.05 2fsf s SER 564 N -6.04 6.55 0.47 1.04 0.15 -1.26 -4.81 113.70 109.81 2fsf s SER 564 Ca -0.13 1.09 0.16 0.00 0.70 0.00 0.00 55.95 57.77 2fsf s SER 564 Cb 0.11 -2.54 1.11 0.00 -1.71 0.00 0.00 66.02 62.98 2fsf s SER 564 CO 0.78 -1.21 2.03 -0.09 1.20 0.00 0.00 173.24 175.95 2fsf h ARG 565 N 9.81 0.00 -0.88 5.44 2.43 -1.89 -2.40 114.38 126.89 2fsf h ARG 565 Ca -0.27 0.00 0.18 0.00 -0.81 0.00 0.00 59.98 59.08 2fsf h ARG 565 Cb 1.10 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.55 2fsf h ARG 565 CO 1.05 0.14 0.44 -0.09 -1.51 0.00 0.00 179.97 180.00 2fsf h ARG 566 N 0.00 0.54 -0.37 0.20 2.43 -1.91 0.80 114.38 116.07 2fsf h ARG 566 Ca -0.00 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 58.99 2fsf h ARG 566 Cb 0.26 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2fsf h ARG 566 CO 0.02 0.36 -0.36 0.82 -1.51 0.00 0.00 179.97 179.30 2fsf h ILE 567 N 0.56 1.28 -0.44 1.20 2.04 -1.84 -0.78 117.51 119.52 2fsf h ILE 567 Ca 0.51 -1.53 -0.10 0.00 1.00 0.00 0.00 64.86 64.74 2fsf h ILE 567 Cb 0.81 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 2fsf h ILE 567 CO -0.42 0.51 -0.11 0.44 0.00 0.00 0.00 178.15 178.57 2fsf h ASP 568 N 0.73 0.79 0.33 1.72 3.32 -1.32 -2.14 116.42 119.85 2fsf h ASP 568 Ca 0.07 -0.24 -0.11 0.00 0.02 0.00 0.00 57.03 56.77 2fsf h ASP 568 Cb 0.94 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 2fsf h ASP 568 CO 0.09 0.92 -0.46 0.78 -1.72 0.00 0.00 179.24 178.85 2fsf h ASN 569 N 0.72 0.18 -0.16 6.45 2.35 -0.57 -1.55 115.58 123.00 2fsf h ASN 569 Ca 0.12 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 2fsf h ASN 569 Cb 0.60 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 2fsf h ASN 569 CO 0.04 0.62 0.07 1.56 -1.65 0.00 0.00 177.43 178.07 2fsf h GLN 570 N 0.14 0.25 -0.30 0.81 4.20 -0.84 -1.61 115.11 117.75 2fsf h GLN 570 Ca 0.01 -0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.72 2fsf h GLN 570 Cb 0.87 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.57 2fsf h GLN 570 CO 0.07 0.33 0.06 1.25 -0.67 0.00 0.00 178.83 179.86 2fsf h LEU 571 N 0.11 0.00 -1.35 1.46 5.85 -1.04 -3.10 115.31 117.25 2fsf h LEU 571 Ca 0.05 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 2fsf h LEU 571 Cb 0.17 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2fsf h LEU 571 CO -0.00 0.04 -0.31 0.08 -0.34 0.00 0.00 178.44 177.90 2fsf h ARG 572 N 0.16 0.00 0.00 1.25 0.11 -1.20 -2.99 114.38 111.72 2fsf h ARG 572 Ca 0.14 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.22 2fsf h ARG 572 Cb 0.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.23 2fsf h ARG 572 CO -0.19 0.31 0.00 0.78 0.10 0.00 0.00 179.97 180.97 2fsf h GLY 573 N 1.22 0.00 2.00 0.08 0.00 -1.21 -2.52 103.07 102.64 2fsf h GLY 573 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2fsf h GLY 573 CO 0.04 0.00 0.00 3.21 0.00 0.00 0.00 176.54 179.79 2fsf h ARG 574 N 0.00 0.00 -6.06 4.80 3.08 -1.58 -3.42 114.38 111.20 2fsf h ARG 574 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 2fsf h ARG 574 Cb 0.29 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.29 2fsf h ARG 574 CO 0.00 0.00 -0.52 0.45 -1.07 0.00 0.00 179.97 178.83 2fsf s SER 575 N -5.43 6.03 -0.17 7.04 0.15 -0.95 -4.65 113.70 115.73 2fsf s SER 575 Ca -0.01 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.75 2fsf s SER 575 Cb 0.11 -1.75 0.00 0.00 -1.71 0.00 0.00 66.02 62.66 2fsf s SER 575 CO 0.48 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.65 2fsf n GLY 576 N -0.04 0.52 3.77 9.45 0.00 -1.26 -4.91 105.19 112.72 2fsf n GLY 576 Ca -0.07 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 44.92 2fsf n GLY 576 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fsf s ARG 577 N -1.51 4.07 -1.49 1.61 0.52 -1.26 -3.73 118.95 117.16 2fsf s ARG 577 Ca 0.00 2.13 -0.01 0.00 -0.52 0.00 0.00 55.73 57.33 2fsf s ARG 577 Cb 0.00 -2.82 0.01 0.00 0.52 0.00 0.00 34.95 32.66 2fsf s ARG 577 CO 0.00 -0.40 0.23 1.04 0.02 0.00 0.00 175.30 176.20 2fsf n GLN 578 N 0.28 -2.13 -0.79 3.54 6.02 -1.26 -1.94 117.38 121.09 2fsf n GLN 578 Ca 0.03 0.25 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 2fsf n GLN 578 Cb 0.43 -4.10 0.00 0.00 1.02 0.00 0.00 30.24 27.59 2fsf n GLN 578 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2fsf n GLY 579 N -2.23 0.54 3.60 1.08 0.00 -1.24 -4.88 105.19 102.06 2fsf n GLY 579 Ca -0.30 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 2fsf n GLY 579 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2fsf n ASP 580 N -0.03 0.99 -4.72 1.61 8.00 -0.82 -4.72 116.55 116.86 2fsf n ASP 580 Ca 0.00 0.96 -0.34 0.00 0.71 0.00 0.00 54.79 56.12 2fsf n ASP 580 Cb 0.01 -1.35 0.09 0.00 -0.02 0.00 0.00 41.12 39.86 2fsf n ASP 580 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2fsf s ALA 581 N -1.37 2.11 -0.10 2.24 0.00 -1.26 -4.20 121.76 119.18 2fsf s ALA 581 Ca 0.67 0.85 -0.33 0.00 0.00 0.00 0.00 51.96 53.15 2fsf s ALA 581 Cb -0.51 -3.46 0.15 0.00 0.00 0.00 0.00 23.12 19.29 2fsf s ALA 581 CO 0.54 -1.89 1.44 0.20 0.00 0.00 0.00 175.76 176.05 2fsf s GLY 582 N -2.09 -0.49 0.22 0.00 0.00 -0.95 -3.89 107.32 100.11 2fsf s GLY 582 Ca 0.74 0.92 -0.15 0.00 0.00 0.00 0.00 44.72 46.23 2fsf s GLY 582 CO 0.46 0.53 0.50 -1.35 0.00 0.00 0.00 173.10 173.24 2fsf s SER 583 N -3.05 -0.17 -0.08 1.64 1.04 -0.77 -0.61 113.70 111.69 2fsf s SER 583 Ca 0.16 -0.67 -0.10 0.00 0.48 0.00 0.00 55.95 55.82 2fsf s SER 583 Cb 0.07 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.80 2fsf s SER 583 CO -0.07 -1.09 0.26 -0.94 0.98 0.00 0.00 173.24 172.38 2fsf s SER 584 N -2.93 -0.24 -0.05 7.02 1.04 -0.46 -1.01 113.70 117.08 2fsf s SER 584 Ca 0.14 0.41 -0.02 0.00 0.48 0.00 0.00 55.95 56.96 2fsf s SER 584 Cb -0.01 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.63 2fsf s SER 584 CO 0.02 -0.17 0.08 -0.60 0.98 0.00 0.00 173.24 173.55 2fsf s ARG 585 N -0.20 -0.03 -0.05 4.02 6.06 0.01 -1.11 118.95 127.65 2fsf s ARG 585 Ca -0.03 0.37 -0.09 0.00 -2.50 0.00 0.00 55.73 53.48 2fsf s ARG 585 Cb -0.03 -0.36 -0.05 0.00 0.06 0.00 0.00 34.95 34.57 2fsf s ARG 585 CO 0.01 -0.27 0.25 -0.06 -2.50 0.00 0.00 175.30 172.73 2fsf s PHE 586 N 1.81 3.63 -0.06 5.12 0.08 -1.26 -1.68 117.98 125.61 2fsf s PHE 586 Ca -0.00 0.66 0.02 0.00 0.12 0.00 0.00 56.93 57.73 2fsf s PHE 586 Cb -0.12 -2.05 -0.03 0.00 -0.57 0.00 0.00 43.02 40.26 2fsf s PHE 586 CO -0.04 0.67 -0.11 0.71 -0.10 0.00 0.00 175.22 176.35 2fsf s TYR 587 N -1.13 2.81 0.12 0.36 2.02 -0.25 -2.13 117.35 119.15 2fsf s TYR 587 Ca 0.21 -0.11 0.01 0.00 -0.37 0.00 0.00 57.07 56.81 2fsf s TYR 587 Cb -0.14 -1.68 -0.04 0.00 -0.40 0.00 0.00 41.96 39.70 2fsf s TYR 587 CO 0.10 0.22 -0.02 -0.51 -1.57 0.00 0.00 175.55 173.78 2fsf s LEU 588 N -0.69 2.25 0.10 -1.29 1.02 0.76 -3.59 118.68 117.24 2fsf s LEU 588 Ca 0.10 -1.09 0.07 0.00 0.02 0.00 0.00 54.13 53.23 2fsf s LEU 588 Cb -0.11 0.05 -0.03 0.00 0.02 0.00 0.00 46.19 46.12 2fsf s LEU 588 CO 0.01 -0.57 -0.19 -0.55 0.02 0.00 0.00 176.35 175.07 2fsf s SER 589 N -3.06 2.31 0.51 2.29 0.15 -1.26 -1.44 113.70 113.19 2fsf s SER 589 Ca 0.17 -0.68 0.22 0.00 0.70 0.00 0.00 55.95 56.35 2fsf s SER 589 Cb 0.06 -0.11 1.30 0.00 -1.71 0.00 0.00 66.02 65.56 2fsf s SER 589 CO -0.02 0.01 2.01 0.24 1.20 0.00 0.00 173.24 176.69 2fsf h MET 590 N 4.07 0.08 0.00 5.44 2.86 -0.62 -1.83 114.93 124.94 2fsf h MET 590 Ca -0.44 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 2fsf h MET 590 Cb 1.18 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.83 2fsf h MET 590 CO 0.41 0.06 0.00 0.39 1.06 0.00 0.00 176.91 178.82 2fsf n GLU 591 N -4.42 0.09 -2.52 1.72 1.02 -1.25 -4.73 120.64 110.55 2fsf n GLU 591 Ca 0.08 0.17 -0.42 0.00 -0.02 0.00 0.00 57.16 56.97 2fsf n GLU 591 Cb 0.48 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.37 2fsf n GLU 591 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2fsf s ASP 592 N -2.85 7.20 0.39 1.62 -0.00 -0.69 -4.82 116.67 117.52 2fsf s ASP 592 Ca 0.12 1.92 0.32 0.00 -0.00 0.00 0.00 52.55 54.91 2fsf s ASP 592 Cb 0.12 -2.58 1.28 0.00 -0.00 0.00 0.00 42.92 41.73 2fsf s ASP 592 CO 0.30 -0.37 1.26 0.00 -0.00 0.00 0.00 175.17 176.36 2fsf n ALA 593 N 3.66 1.27 -0.11 5.23 0.00 -1.26 0.24 120.51 129.54 2fsf n ALA 593 Ca 0.07 0.63 -0.05 0.00 0.00 0.00 0.00 53.44 54.09 2fsf n ALA 593 Cb 0.48 -0.88 0.14 0.00 0.00 0.00 0.00 19.45 19.18 2fsf n ALA 593 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2fsf h LEU 594 N 0.00 0.78 -0.97 0.00 5.85 -1.88 -3.11 115.31 115.99 2fsf h LEU 594 Ca 0.73 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 59.24 2fsf h LEU 594 Cb 2.58 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 43.40 2fsf h LEU 594 CO -0.24 0.88 0.00 0.80 -0.34 0.00 0.00 178.44 179.54 2fsf n MET 595 N -4.19 0.84 -0.07 1.25 1.56 0.64 -2.96 117.12 114.20 2fsf n MET 595 Ca 0.02 0.00 -0.14 0.00 -0.27 0.00 0.00 57.70 57.31 2fsf n MET 595 Cb 0.33 -1.41 -0.05 0.00 2.15 0.00 0.00 33.22 34.25 2fsf n MET 595 CO 0.00 0.00 0.00 -2.13 -0.73 0.00 0.00 175.97 173.11 2fsf n ARG 596 N 0.06 0.32 0.00 2.12 0.00 -1.17 -4.40 116.66 113.59 2fsf n ARG 596 Ca 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 57.85 57.99 2fsf n ARG 596 Cb 0.20 -1.04 0.00 0.00 0.00 0.00 0.00 32.46 31.63 2fsf n ARG 596 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 2fsf n ILE 597 N -3.75 0.04 0.17 5.15 -5.35 -1.15 -0.63 119.36 113.84 2fsf n ILE 597 Ca -0.26 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.19 2fsf n ILE 597 Cb 0.64 -0.24 0.13 0.00 -1.74 0.00 0.00 39.64 38.42 2fsf n ILE 597 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2fsf n PHE 598 N 0.38 1.02 -0.12 4.28 3.72 -1.26 -4.90 117.46 120.59 2fsf n PHE 598 Ca 0.00 -0.62 0.00 0.00 -0.05 0.00 0.00 57.45 56.78 2fsf n PHE 598 Cb 0.10 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.26 2fsf n PHE 598 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2fsf n ALA 599 N 0.07 0.00 -2.82 4.37 0.00 0.20 -4.73 120.51 117.60 2fsf n ALA 599 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.47 2fsf n ALA 599 Cb 0.79 -0.03 -0.14 0.00 0.00 0.00 0.00 19.45 20.07 2fsf n ALA 599 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2fsf s SER 600 N -0.12 0.39 -0.11 0.00 0.15 -1.26 -5.05 113.70 107.69 2fsf s SER 600 Ca 0.00 -0.12 -0.26 0.00 0.70 0.00 0.00 55.95 56.28 2fsf s SER 600 Cb 0.00 -0.03 -0.28 0.00 -1.71 0.00 0.00 66.02 64.00 2fsf s SER 600 CO 0.00 0.00 0.79 0.44 1.20 0.00 0.00 173.24 175.68 2fsf h ASP 601 N 5.88 0.19 -0.88 5.45 5.19 -1.92 -2.63 116.42 127.71 2fsf h ASP 601 Ca -0.27 -0.96 0.04 0.00 -0.62 0.00 0.00 57.03 55.22 2fsf h ASP 601 Cb 1.20 -0.06 -0.06 0.00 0.18 0.00 0.00 39.33 40.59 2fsf h ASP 601 CO 0.49 1.18 0.56 0.03 -3.12 0.00 0.00 179.24 178.38 2fsf h ARG 602 N -0.74 1.03 0.00 3.56 3.08 -1.97 -2.28 114.38 117.06 2fsf h ARG 602 Ca -0.07 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.91 2fsf h ARG 602 Cb 1.28 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.09 2fsf h ARG 602 CO 0.05 0.68 0.00 0.28 -1.07 0.00 0.00 179.97 179.92 2fsf n VAL 603 N -4.56 0.00 -0.10 2.04 0.31 -1.21 -1.66 118.33 113.15 2fsf n VAL 603 Ca 0.12 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.21 2fsf n VAL 603 Cb 0.12 -0.49 -0.12 0.00 -0.91 0.00 0.00 33.84 32.44 2fsf n VAL 603 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2fsf n SER 604 N -0.97 1.97 0.00 4.52 7.64 -0.99 -4.75 113.62 121.04 2fsf n SER 604 Ca 0.21 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.35 2fsf n SER 604 Cb 0.10 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 2fsf n SER 604 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2fsf n GLY 605 N 1.64 -0.21 0.36 0.23 0.00 -0.67 -3.35 105.19 103.20 2fsf n GLY 605 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2fsf n GLY 605 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2fsf n MET 606 N -1.18 0.73 -0.60 1.61 1.56 -1.25 0.13 117.12 118.12 2fsf n MET 606 Ca 0.00 0.00 0.06 0.00 -0.27 0.00 0.00 57.70 57.49 2fsf n MET 606 Cb 0.02 -1.26 0.17 0.00 2.15 0.00 0.00 33.22 34.30 2fsf n MET 606 CO 0.00 0.00 0.00 -1.33 -0.73 0.00 0.00 175.97 173.91 2fsf n MET 607 N -0.05 1.32 -0.03 2.12 2.81 -1.21 -3.33 117.12 118.75 2fsf n MET 607 Ca 0.00 -2.97 -0.13 0.00 -1.81 0.00 0.00 57.70 52.79 2fsf n MET 607 Cb 0.13 -1.39 -0.08 0.00 -0.71 0.00 0.00 33.22 31.16 2fsf n MET 607 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2fsf h ARG 608 N 0.79 0.14 0.00 0.03 2.47 0.70 -3.41 114.38 115.11 2fsf h ARG 608 Ca -0.02 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.63 2fsf h ARG 608 Cb 1.11 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.43 2fsf h ARG 608 CO 0.01 0.54 -1.14 1.17 0.56 0.00 0.00 179.97 181.11 2fsf n LYS 609 N -4.77 0.21 -1.05 0.04 3.00 -1.26 -2.29 118.16 112.05 2fsf n LYS 609 Ca -0.07 -0.03 -0.17 0.00 -0.00 0.00 0.00 58.31 58.03 2fsf n LYS 609 Cb 0.26 -1.54 -0.03 0.00 0.00 0.00 0.00 35.03 33.73 2fsf n LYS 609 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2fsf n LEU 610 N -1.79 6.13 -1.90 3.14 4.32 -1.21 -4.97 117.00 120.71 2fsf n LEU 610 Ca 0.02 -3.41 -0.06 0.00 -0.02 0.00 0.00 56.01 52.54 2fsf n LEU 610 Cb 0.41 -1.18 -0.08 0.00 -1.62 0.00 0.00 43.42 40.95 2fsf n LEU 610 CO 0.42 1.44 1.14 0.61 -1.22 0.00 0.00 177.39 179.78 2fsf n GLY 611 N 1.01 2.38 2.13 -0.72 0.00 -0.97 -4.90 105.19 104.12 2fsf n GLY 611 Ca 0.34 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2fsf n GLY 611 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2fsf n MET 612 N 2.20 -0.53 -3.35 1.61 2.81 -1.26 -4.92 117.12 113.69 2fsf n MET 612 Ca 0.20 0.66 -0.28 0.00 -1.81 0.00 0.00 57.70 56.47 2fsf n MET 612 Cb 0.59 -0.58 -0.03 0.00 -0.71 0.00 0.00 33.22 32.49 2fsf n MET 612 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2fsf s LYS 613 N -0.31 3.62 0.00 0.03 1.02 -1.26 -4.85 119.74 117.99 2fsf s LYS 613 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 55.97 55.97 2fsf s LYS 613 Cb 0.00 -2.65 0.00 0.00 -0.52 0.00 0.00 37.83 34.66 2fsf s LYS 613 CO 0.00 0.22 0.08 -2.30 -0.92 0.00 0.00 175.35 172.43 2fsf n PRO 614 N -0.97 0.00 0.16 -1.68 -0.02 -1.26 -3.62 135.00 127.61 2fsf n PRO 614 Ca -0.02 0.08 -0.14 0.00 -2.02 0.00 0.00 63.50 61.41 2fsf n PRO 614 Cb 0.54 -0.35 -0.08 0.00 -0.02 0.00 0.00 33.50 33.58 2fsf n PRO 614 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2fsf h GLY 615 N 0.00 -0.42 -0.93 -1.23 0.00 -2.05 -3.49 103.07 94.95 2fsf h GLY 615 Ca 0.00 0.16 -0.40 0.00 0.00 0.00 0.00 47.33 47.09 2fsf h GLY 615 CO 0.00 -0.15 0.04 -0.54 0.00 0.00 0.00 176.54 175.89 2fsf s GLU 616 N -4.98 -2.13 0.14 4.80 2.02 -1.24 -5.13 118.70 112.18 2fsf s GLU 616 Ca -0.15 -0.13 -0.21 0.00 0.02 0.00 0.00 54.97 54.50 2fsf s GLU 616 Cb 0.03 -1.50 0.06 0.00 0.10 0.00 0.00 34.13 32.82 2fsf s GLU 616 CO 0.57 -4.30 0.54 0.00 0.02 0.00 0.00 175.26 172.10 2fsf s ALA 617 N -2.78 -1.40 0.00 5.21 0.00 -1.26 -4.80 121.76 116.73 2fsf s ALA 617 Ca 0.71 0.35 0.00 0.00 0.00 0.00 0.00 51.96 53.03 2fsf s ALA 617 Cb -0.09 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.83 2fsf s ALA 617 CO 0.56 -0.72 0.00 -0.89 0.00 0.00 0.00 175.76 174.71 2fsf n ILE 618 N -0.28 0.00 0.00 0.00 5.41 -1.26 -5.16 119.36 118.06 2fsf n ILE 618 Ca -0.17 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.58 2fsf n ILE 618 Cb 0.64 -0.46 0.00 0.00 -0.71 0.00 0.00 39.64 39.12 2fsf n ILE 618 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2fsf n GLU 619 N -1.99 0.00 -3.76 0.38 1.02 -1.26 -5.13 120.64 109.89 2fsf n GLU 619 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 2fsf n GLU 619 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.27 2fsf n GLU 619 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2fsf s HIS 620 N -0.31 1.62 0.41 -0.32 3.76 -1.26 -5.02 115.29 114.16 2fsf s HIS 620 Ca 0.00 -1.51 0.20 0.00 -0.15 0.00 0.00 55.06 53.61 2fsf s HIS 620 Cb 0.00 -1.52 1.15 0.00 1.11 0.00 0.00 32.58 33.32 2fsf s HIS 620 CO 0.00 -0.79 1.78 -1.35 -0.85 0.00 0.00 174.74 173.52 2fsf h PRO 621 N 8.11 0.34 -0.01 8.40 0.10 -2.00 -0.19 132.00 146.75 2fsf h PRO 621 Ca -0.15 -0.02 -0.10 0.00 0.10 0.00 0.00 66.00 65.83 2fsf h PRO 621 Cb 1.05 -0.08 -0.01 0.00 0.10 0.00 0.00 31.00 32.06 2fsf h PRO 621 CO 0.43 0.22 -0.48 0.11 0.10 0.00 0.00 178.00 178.38 2fsf h TRP 622 N 0.35 0.01 -0.65 0.65 5.08 -1.98 -2.59 115.95 116.82 2fsf h TRP 622 Ca 0.59 -0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.55 2fsf h TRP 622 Cb 1.58 -0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.71 2fsf h TRP 622 CO -0.00 0.50 0.36 0.28 -1.28 0.00 0.00 178.44 178.30 2fsf h VAL 623 N 0.01 1.20 -0.81 0.12 2.07 -1.43 0.82 116.25 118.23 2fsf h VAL 623 Ca -0.00 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 2fsf h VAL 623 Cb 0.86 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 2fsf h VAL 623 CO 0.06 0.22 0.33 0.74 0.02 0.00 0.00 177.57 178.94 2fsf h THR 624 N 0.88 1.26 0.06 2.57 2.02 -1.51 -0.82 112.91 117.37 2fsf h THR 624 Ca 0.23 -0.81 -0.24 0.00 0.77 0.00 0.00 66.41 66.35 2fsf h THR 624 Cb 0.02 0.28 0.02 0.00 -1.74 0.00 0.00 68.15 66.74 2fsf h THR 624 CO -0.04 0.34 -0.98 0.11 0.37 0.00 0.00 175.52 175.32 2fsf h LYS 625 N 1.17 0.57 -0.82 6.66 1.57 -1.04 -1.92 116.57 122.75 2fsf h LYS 625 Ca 0.27 -0.68 0.07 0.00 -1.87 0.00 0.00 60.65 58.44 2fsf h LYS 625 Cb 0.20 0.21 -0.06 0.00 0.08 0.00 0.00 32.23 32.66 2fsf h LYS 625 CO -0.02 1.28 0.49 0.00 -0.57 0.00 0.00 179.45 180.63 2fsf h ALA 626 N 0.31 1.15 -0.11 3.86 0.00 0.79 -1.12 119.26 124.13 2fsf h ALA 626 Ca -0.14 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2fsf h ALA 626 Cb 1.67 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 2fsf h ALA 626 CO 0.19 0.19 -0.05 0.82 0.00 0.00 0.00 179.25 180.40 2fsf h ILE 627 N 0.87 1.31 -0.99 0.00 2.04 -1.08 0.27 117.51 119.93 2fsf h ILE 627 Ca 0.37 -1.06 0.12 0.00 1.00 0.00 0.00 64.86 65.29 2fsf h ILE 627 Cb 0.24 1.78 -0.08 0.00 -0.74 0.00 0.00 36.82 38.02 2fsf h ILE 627 CO -0.20 0.30 0.62 0.00 0.00 0.00 0.00 178.15 178.87 2fsf h ALA 628 N 0.66 1.48 -0.01 1.87 0.00 -1.17 -1.28 119.26 120.82 2fsf h ALA 628 Ca 0.03 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 2fsf h ALA 628 Cb 0.50 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2fsf h ALA 628 CO 0.02 0.23 -0.74 -0.97 0.00 0.00 0.00 179.25 177.79 2fsf h ASN 629 N 0.99 0.10 -0.30 0.00 -0.00 -0.92 -1.57 115.58 113.88 2fsf h ASN 629 Ca 0.49 -0.07 -0.12 0.00 -0.00 0.00 0.00 56.30 56.60 2fsf h ASN 629 Cb 0.46 -0.03 -0.01 0.00 -0.00 0.00 0.00 38.32 38.74 2fsf h ASN 629 CO -0.26 0.80 -0.27 0.00 -0.00 0.00 0.00 177.43 177.70 2fsf h ALA 630 N 1.20 0.43 -0.90 1.57 0.00 -0.04 -0.44 119.26 121.09 2fsf h ALA 630 Ca -0.02 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.51 2fsf h ALA 630 Cb 1.30 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 2fsf h ALA 630 CO 0.10 0.44 0.59 1.96 0.00 0.00 0.00 179.25 182.35 2fsf h GLN 631 N 0.46 1.16 -0.63 0.00 4.20 -1.14 -1.69 115.11 117.47 2fsf h GLN 631 Ca 0.05 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.60 2fsf h GLN 631 Cb 0.84 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 2fsf h GLN 631 CO 0.07 0.77 0.04 -0.09 -0.67 0.00 0.00 178.83 178.95 2fsf h ARG 632 N 1.20 1.08 -0.38 1.46 2.43 -1.11 -1.41 114.38 117.65 2fsf h ARG 632 Ca 0.33 -0.32 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 2fsf h ARG 632 Cb -0.11 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 2fsf h ARG 632 CO -0.08 1.03 0.06 0.87 -1.51 0.00 0.00 179.97 180.35 2fsf h LYS 633 N 1.00 0.57 -0.42 0.20 1.57 -0.82 -2.00 116.57 116.67 2fsf h LYS 633 Ca 0.18 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 2fsf h LYS 633 Cb 0.52 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 2fsf h LYS 633 CO 0.02 0.54 -0.01 0.28 -0.57 0.00 0.00 179.45 179.72 2fsf h VAL 634 N 0.55 1.26 -0.68 0.50 2.07 -1.05 -0.25 116.25 118.66 2fsf h VAL 634 Ca 0.13 -1.03 -0.04 0.00 0.82 0.00 0.00 66.70 66.58 2fsf h VAL 634 Cb 0.25 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 2fsf h VAL 634 CO 0.00 0.35 0.28 -0.08 0.02 0.00 0.00 177.57 178.14 2fsf h GLU 635 N 0.57 1.01 -0.02 1.57 4.57 -1.07 0.24 114.58 121.45 2fsf h GLU 635 Ca 0.12 -0.18 -0.19 0.00 -1.18 0.00 0.00 59.36 57.93 2fsf h GLU 635 Cb 0.49 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 2fsf h GLU 635 CO 0.02 0.84 -0.81 0.66 -1.18 0.00 0.00 179.01 178.54 2fsf h SER 636 N 0.96 0.28 -0.25 1.04 4.64 -1.25 -0.39 113.55 118.59 2fsf h SER 636 Ca 0.23 -0.21 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 2fsf h SER 636 Cb 0.19 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 2fsf h SER 636 CO -0.02 0.98 0.08 -0.09 -0.87 0.00 0.00 176.83 176.91 2fsf h ARG 637 N 0.14 0.38 -0.44 4.77 1.12 -0.79 -0.57 114.38 118.99 2fsf h ARG 637 Ca -0.04 -0.08 -0.12 0.00 -1.11 0.00 0.00 59.98 58.63 2fsf h ARG 637 Cb 1.40 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 31.29 2fsf h ARG 637 CO 0.13 0.45 -0.22 -0.91 -3.11 0.00 0.00 179.97 176.31 2fsf h ASN 638 N 0.23 0.90 -0.25 -3.80 -0.26 -0.79 -2.79 115.58 108.83 2fsf h ASN 638 Ca 0.08 -0.33 -0.04 0.00 -0.56 0.00 0.00 56.30 55.44 2fsf h ASN 638 Cb 0.23 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.22 2fsf h ASN 638 CO -0.00 1.08 0.03 0.15 -1.06 0.00 0.00 177.43 177.63 2fsf h PHE 639 N 0.76 0.55 -0.72 1.19 3.57 -1.06 -1.93 116.94 119.30 2fsf h PHE 639 Ca 0.10 -0.05 0.14 0.00 3.53 0.00 0.00 57.97 61.70 2fsf h PHE 639 Cb 0.76 -0.16 -0.10 0.00 2.79 0.00 0.00 35.95 39.25 2fsf h PHE 639 CO 0.04 0.52 0.23 -0.44 -2.23 0.00 0.00 178.31 176.43 2fsf h ASP 640 N 0.51 0.13 -0.23 0.41 3.32 -0.84 0.14 116.42 119.87 2fsf h ASP 640 Ca 0.11 0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.24 2fsf h ASP 640 Cb 0.29 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2fsf h ASP 640 CO 0.01 0.04 -0.03 0.40 -1.72 0.00 0.00 179.24 177.93 2fsf h ILE 641 N 0.35 1.27 -0.75 0.35 2.04 -1.27 -2.68 117.51 116.82 2fsf h ILE 641 Ca 0.40 -0.99 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 2fsf h ILE 641 Cb 0.63 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 2fsf h ILE 641 CO -0.44 0.30 0.38 -0.09 0.00 0.00 0.00 178.15 178.31 2fsf h ARG 642 N 0.18 1.07 -0.97 2.37 2.43 -1.19 -2.21 114.38 116.05 2fsf h ARG 642 Ca 0.06 -0.14 0.06 0.00 -0.81 0.00 0.00 59.98 59.14 2fsf h ARG 642 Cb 0.47 -0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 29.76 2fsf h ARG 642 CO 0.02 0.81 0.63 0.87 -1.51 0.00 0.00 179.97 180.79 2fsf h LYS 643 N 1.05 1.12 -0.92 0.20 1.57 -0.95 0.13 116.57 118.77 2fsf h LYS 643 Ca 0.26 -0.07 0.07 0.00 -1.87 0.00 0.00 60.65 59.04 2fsf h LYS 643 Cb 0.08 -0.25 -0.07 0.00 0.08 0.00 0.00 32.23 32.07 2fsf h LYS 643 CO -0.04 0.74 0.57 1.96 -0.57 0.00 0.00 179.45 182.12 2fsf h GLN 644 N 1.16 1.00 -0.13 3.15 1.08 -1.05 -1.76 115.11 118.56 2fsf h GLN 644 Ca 0.41 -0.06 -0.18 0.00 -1.45 0.00 0.00 58.65 57.37 2fsf h GLN 644 Cb 0.12 -0.23 -0.00 0.00 -0.05 0.00 0.00 27.48 27.32 2fsf h GLN 644 CO -0.15 0.66 -0.66 -0.07 -0.95 0.00 0.00 178.83 177.66 2fsf h LEU 645 N 1.03 0.58 -1.98 1.46 3.38 -1.08 -2.54 115.31 116.16 2fsf h LEU 645 Ca 0.40 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2fsf h LEU 645 Cb 0.21 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2fsf h LEU 645 CO -0.19 1.08 -0.10 -0.07 0.09 0.00 0.00 178.44 179.25 2fsf h LEU 646 N 0.36 0.00 -0.36 1.67 3.38 -0.63 -1.13 115.31 118.60 2fsf h LEU 646 Ca -0.02 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 2fsf h LEU 646 Cb 1.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 2fsf h LEU 646 CO 0.12 0.10 0.01 -0.33 0.09 0.00 0.00 178.44 178.44 2fsf h GLU 647 N 0.00 0.63 -0.32 1.13 5.08 -0.89 -0.84 114.58 119.37 2fsf h GLU 647 Ca -0.00 -0.19 0.04 0.00 -1.00 0.00 0.00 59.36 58.20 2fsf h GLU 647 Cb 0.29 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 2fsf h GLU 647 CO 0.01 0.73 0.11 1.88 -1.00 0.00 0.00 179.01 180.74 2fsf h TYR 648 N 0.45 0.19 -0.61 4.33 -1.99 -1.32 -2.53 116.97 115.49 2fsf h TYR 648 Ca 0.10 0.02 0.01 0.00 2.00 0.00 0.00 58.73 60.86 2fsf h TYR 648 Cb 0.44 -0.04 -0.03 0.00 2.00 0.00 0.00 36.73 39.10 2fsf h TYR 648 CO 0.03 0.08 0.41 -0.44 -0.00 0.00 0.00 178.16 178.24 2fsf h ASP 649 N 0.24 0.68 0.19 3.88 3.32 -1.07 -2.95 116.42 120.71 2fsf h ASP 649 Ca 0.14 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 2fsf h ASP 649 Cb 0.12 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 2fsf h ASP 649 CO -0.15 0.49 -0.10 0.44 -1.72 0.00 0.00 179.24 178.20 2fsf h ASP 650 N 0.80 0.00 0.25 6.45 3.32 -0.70 0.01 116.42 126.56 2fsf h ASP 650 Ca 0.23 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 2fsf h ASP 650 Cb -0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 2fsf h ASP 650 CO -0.05 0.10 -0.12 0.58 -1.72 0.00 0.00 179.24 178.02 2fsf h VAL 651 N 0.00 0.80 -0.41 -1.35 2.07 -1.51 -1.07 116.25 114.78 2fsf h VAL 651 Ca -0.00 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 2fsf h VAL 651 Cb 0.22 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2fsf h VAL 651 CO 0.01 0.06 0.19 0.00 0.02 0.00 0.00 177.57 177.86 2fsf h ALA 652 N 0.24 0.53 -0.75 1.67 0.00 -1.55 -2.11 119.26 117.30 2fsf h ALA 652 Ca -0.03 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.77 2fsf h ALA 652 Cb 0.36 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2fsf h ALA 652 CO 0.06 0.10 0.50 -0.97 0.00 0.00 0.00 179.25 178.94 2fsf h ASN 653 N 0.53 0.86 0.07 0.00 -1.24 -0.94 -0.22 115.58 114.64 2fsf h ASN 653 Ca 0.14 -0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.13 2fsf h ASN 653 Cb 0.13 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 38.97 2fsf h ASN 653 CO -0.02 0.62 -0.03 0.44 -1.29 0.00 0.00 177.43 177.15 2fsf h ASP 654 N 1.01 -0.08 -0.60 1.15 3.45 -0.86 0.12 116.42 120.61 2fsf h ASP 654 Ca 0.28 -0.14 0.03 0.00 0.43 0.00 0.00 57.03 57.63 2fsf h ASP 654 Cb -0.11 0.02 -0.04 0.00 -0.56 0.00 0.00 39.33 38.63 2fsf h ASP 654 CO -0.06 0.09 0.35 1.56 -1.57 0.00 0.00 179.24 179.61 2fsf h GLN 655 N -0.25 0.67 -0.33 3.56 4.20 -1.22 -1.97 115.11 119.76 2fsf h GLN 655 Ca -0.01 -0.04 -0.17 0.00 0.06 0.00 0.00 58.65 58.49 2fsf h GLN 655 Cb 0.21 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 2fsf h GLN 655 CO 0.02 0.44 -0.45 -0.09 -0.67 0.00 0.00 178.83 178.07 2fsf h ARG 656 N 0.69 0.89 -0.68 1.46 2.43 -0.89 -1.23 114.38 117.05 2fsf h ARG 656 Ca 0.25 -0.52 0.05 0.00 -0.81 0.00 0.00 59.98 58.95 2fsf h ARG 656 Cb 0.06 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 2fsf h ARG 656 CO -0.12 1.16 0.45 0.00 -1.51 0.00 0.00 179.97 179.95 2fsf h ARG 657 N 0.69 0.73 -0.02 0.20 3.08 -0.60 -1.21 114.38 117.25 2fsf h ARG 657 Ca 0.04 -0.04 -0.22 0.00 0.07 0.00 0.00 59.98 59.82 2fsf h ARG 657 Cb 1.06 -0.16 0.02 0.00 0.08 0.00 0.00 29.97 30.96 2fsf h ARG 657 CO 0.11 0.48 -0.84 0.00 -1.07 0.00 0.00 179.97 178.64 2fsf h ALA 658 N 1.62 0.13 0.02 0.04 0.00 -0.89 -1.75 119.26 118.43 2fsf h ALA 658 Ca 0.28 -0.64 -0.20 0.00 0.00 0.00 0.00 54.91 54.36 2fsf h ALA 658 Cb 0.18 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2fsf h ALA 658 CO -0.09 0.55 -0.92 0.97 0.00 0.00 0.00 179.25 179.76 2fsf h ILE 659 N 0.22 1.55 -0.02 0.00 6.09 -1.08 -2.15 117.51 122.12 2fsf h ILE 659 Ca -0.10 -2.83 -0.19 0.00 -1.37 0.00 0.00 64.86 60.37 2fsf h ILE 659 Cb 1.51 2.59 -0.01 0.00 0.47 0.00 0.00 36.82 41.38 2fsf h ILE 659 CO 0.17 0.82 -0.82 1.88 -3.07 0.00 0.00 178.15 177.13 2fsf h TYR 660 N 0.07 0.39 -0.49 2.19 -1.99 -1.28 -0.03 116.97 115.83 2fsf h TYR 660 Ca -0.04 -0.20 0.04 0.00 2.00 0.00 0.00 58.73 60.54 2fsf h TYR 660 Cb 1.58 -0.05 -0.04 0.00 2.00 0.00 0.00 36.73 40.22 2fsf h TYR 660 CO 0.02 0.98 0.24 1.03 -0.00 0.00 0.00 178.16 180.43 2fsf h SER 661 N 0.17 0.34 -0.52 3.88 0.87 -1.20 0.96 113.55 118.05 2fsf h SER 661 Ca -0.04 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 2fsf h SER 661 Cb 1.42 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 63.32 2fsf h SER 661 CO 0.13 0.23 0.28 -0.61 -0.53 0.00 0.00 176.83 176.34 2fsf h GLN 662 N 0.47 0.72 -0.43 2.24 4.15 -1.30 -2.15 115.11 118.81 2fsf h GLN 662 Ca 0.22 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.53 2fsf h GLN 662 Cb 0.13 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 2fsf h GLN 662 CO -0.16 0.56 0.19 -0.09 -1.93 0.00 0.00 178.83 177.40 2fsf h ARG 663 N 0.69 0.64 -0.34 1.69 2.43 -0.64 -2.35 114.38 116.50 2fsf h ARG 663 Ca 0.18 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 2fsf h ARG 663 Cb 0.05 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 2fsf h ARG 663 CO -0.03 0.57 -0.04 -0.91 -1.51 0.00 0.00 179.97 178.05 2fsf h ASN 664 N 0.55 0.52 -0.65 -3.80 -0.26 -0.66 -0.60 115.58 110.68 2fsf h ASN 664 Ca 0.15 -0.11 -0.01 0.00 -0.56 0.00 0.00 56.30 55.77 2fsf h ASN 664 Cb 0.16 -0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 37.26 2fsf h ASN 664 CO -0.01 0.62 0.38 -0.33 -1.06 0.00 0.00 177.43 177.02 2fsf h GLU 665 N 0.52 0.90 0.13 0.81 5.08 -1.05 -0.05 114.58 120.92 2fsf h GLU 665 Ca 0.11 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2fsf h GLU 665 Cb 0.39 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2fsf h GLU 665 CO 0.02 0.66 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.45 2fsf h LEU 666 N 0.89 -0.45 -1.12 1.33 3.38 -1.08 -2.70 115.31 115.57 2fsf h LEU 666 Ca 0.23 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.34 2fsf h LEU 666 Cb 0.00 0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 2fsf h LEU 666 CO -0.04 -0.24 0.60 0.25 0.09 0.00 0.00 178.44 179.10 2fsf h LEU 667 N -0.34 0.89 -0.08 1.67 5.85 -0.92 -2.50 115.31 119.87 2fsf h LEU 667 Ca 0.01 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2fsf h LEU 667 Cb 0.34 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.21 2fsf h LEU 667 CO -0.07 0.53 -0.08 0.47 -0.34 0.00 0.00 178.44 178.95 2fsf n ASP 668 N -4.53 0.21 -4.72 1.25 10.43 -0.05 -4.37 116.55 114.77 2fsf n ASP 668 Ca 0.16 -0.20 -0.35 0.00 2.57 0.00 0.00 54.79 56.96 2fsf n ASP 668 Cb 0.27 -0.20 -0.09 0.00 1.84 0.00 0.00 41.12 42.94 2fsf n ASP 668 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2fsf s VAL 669 N -2.64 4.60 -0.14 2.53 0.11 -0.94 -5.00 120.40 118.92 2fsf s VAL 669 Ca 0.25 -0.13 0.14 0.00 -2.93 0.00 0.00 61.98 59.31 2fsf s VAL 669 Cb 0.20 -2.97 0.04 0.00 -1.53 0.00 0.00 36.38 32.12 2fsf s VAL 669 CO 0.50 0.59 1.43 0.28 -3.33 0.00 0.00 175.10 174.57 2fsf h SER 670 N 5.30 0.00 -3.23 3.54 0.02 -1.86 -3.44 113.55 113.88 2fsf h SER 670 Ca -0.50 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.00 2fsf h SER 670 Cb 1.20 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 63.35 2fsf h SER 670 CO 0.57 0.54 -0.76 -0.62 -1.14 0.00 0.00 176.83 175.42 2fsf s ASP 671 N -6.48 2.00 0.00 3.07 -1.08 -1.26 -4.70 116.67 108.22 2fsf s ASP 671 Ca 0.04 -0.34 0.18 0.00 -0.52 0.00 0.00 52.55 51.91 2fsf s ASP 671 Cb 0.08 -0.41 0.40 0.00 -1.46 0.00 0.00 42.92 41.52 2fsf s ASP 671 CO 0.75 -0.26 1.32 0.52 0.52 0.00 0.00 175.17 178.03 2fsf n VAL 672 N 5.16 0.67 -0.23 1.11 0.31 -1.26 -4.74 118.33 119.36 2fsf n VAL 672 Ca -0.07 -0.83 0.03 0.00 -0.01 0.00 0.00 64.34 63.46 2fsf n VAL 672 Cb 0.49 0.80 0.15 0.00 -0.91 0.00 0.00 33.84 34.36 2fsf n VAL 672 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2fsf h SER 673 N 3.53 0.01 0.93 4.52 0.02 -1.94 -1.18 113.55 119.43 2fsf h SER 673 Ca 0.00 0.13 -0.15 0.00 -0.84 0.00 0.00 61.79 60.93 2fsf h SER 673 Cb 0.86 0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.55 2fsf h SER 673 CO 0.00 -0.01 -0.72 -0.08 -1.14 0.00 0.00 176.83 174.88 2fsf h GLU 674 N 0.27 0.00 0.15 3.45 4.81 -1.98 0.40 114.58 121.68 2fsf h GLU 674 Ca 0.37 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.59 2fsf h GLU 674 Cb 0.59 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.97 2fsf h GLU 674 CO -0.46 0.72 -0.07 1.15 -0.73 0.00 0.00 179.01 179.61 2fsf h THR 675 N 0.00 0.94 -0.78 0.32 2.02 -1.61 -1.17 112.91 112.63 2fsf h THR 675 Ca -0.01 -0.37 0.11 0.00 0.77 0.00 0.00 66.41 66.91 2fsf h THR 675 Cb 1.37 1.17 -0.08 0.00 -1.74 0.00 0.00 68.15 68.87 2fsf h THR 675 CO 0.09 0.09 0.40 0.40 0.37 0.00 0.00 175.52 176.87 2fsf h ILE 676 N -0.38 0.82 -0.15 3.11 1.08 -1.13 0.12 117.51 120.98 2fsf h ILE 676 Ca -0.02 -0.22 -0.02 0.00 -0.39 0.00 0.00 64.86 64.21 2fsf h ILE 676 Cb 0.30 0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 34.16 2fsf h ILE 676 CO 0.03 0.12 0.01 0.78 -0.69 0.00 0.00 178.15 178.41 2fsf h ASN 677 N 0.65 0.25 0.25 1.72 2.35 -0.17 0.67 115.58 121.29 2fsf h ASN 677 Ca 0.40 -0.28 0.01 0.00 -0.55 0.00 0.00 56.30 55.87 2fsf h ASN 677 Cb 0.46 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.73 2fsf h ASN 677 CO -0.30 0.47 -0.42 -1.28 -1.65 0.00 0.00 177.43 174.25 2fsf h SER 678 N 0.02 -1.21 0.38 5.81 0.87 -1.00 -2.62 113.55 115.80 2fsf h SER 678 Ca 0.04 0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.67 2fsf h SER 678 Cb 0.33 0.43 -0.01 0.00 -0.44 0.00 0.00 62.40 62.72 2fsf h SER 678 CO 0.00 -0.53 -0.24 0.16 -0.53 0.00 0.00 176.83 175.70 2fsf h ILE 679 N -0.75 0.94 -0.45 2.23 3.07 -0.70 -2.15 117.51 119.71 2fsf h ILE 679 Ca -0.01 -0.90 -0.08 0.00 1.55 0.00 0.00 64.86 65.43 2fsf h ILE 679 Cb 0.72 1.52 -0.02 0.00 -0.27 0.00 0.00 36.82 38.77 2fsf h ILE 679 CO -0.17 0.24 -0.06 -0.09 -1.05 0.00 0.00 178.15 177.02 2fsf h ARG 680 N 0.00 0.77 0.08 0.16 2.43 -0.62 0.64 114.38 117.85 2fsf h ARG 680 Ca -0.00 -0.23 -0.00 0.00 -0.81 0.00 0.00 59.98 58.94 2fsf h ARG 680 Cb 0.50 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2fsf h ARG 680 CO 0.03 0.81 -0.04 0.93 -1.51 0.00 0.00 179.97 180.19 2fsf h GLU 681 N 0.71 -0.11 -0.96 0.20 5.08 -1.08 0.14 114.58 118.55 2fsf h GLU 681 Ca 0.13 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.62 2fsf h GLU 681 Cb 0.51 0.02 -0.14 0.00 0.50 0.00 0.00 28.75 29.65 2fsf h GLU 681 CO 0.03 0.32 -0.48 -0.44 -1.00 0.00 0.00 179.01 177.44 2fsf h ASP 682 N -0.58 -1.75 -0.32 1.42 3.32 -1.23 0.29 116.42 117.57 2fsf h ASP 682 Ca -0.01 0.31 -0.04 0.00 0.02 0.00 0.00 57.03 57.31 2fsf h ASP 682 Cb 0.48 0.84 -0.01 0.00 0.22 0.00 0.00 39.33 40.86 2fsf h ASP 682 CO 0.02 -0.27 0.04 0.58 -1.72 0.00 0.00 179.24 177.89 2fsf h VAL 683 N -0.02 1.24 -0.25 -1.35 2.07 -0.78 -2.68 116.25 114.48 2fsf h VAL 683 Ca 0.26 -0.85 -0.08 0.00 0.82 0.00 0.00 66.70 66.85 2fsf h VAL 683 Cb 0.52 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 2fsf h VAL 683 CO -0.95 0.28 -0.19 -0.26 0.02 0.00 0.00 177.57 176.47 2fsf h PHE 684 N 0.35 0.49 -0.52 1.57 0.05 0.55 -1.79 116.94 117.64 2fsf h PHE 684 Ca 0.09 -0.09 -0.05 0.00 3.82 0.00 0.00 57.97 61.75 2fsf h PHE 684 Cb 0.37 -0.13 -0.02 0.00 2.00 0.00 0.00 35.95 38.17 2fsf h PHE 684 CO 0.03 0.61 0.15 -0.22 -0.18 0.00 0.00 178.31 178.70 2fsf h LYS 685 N 0.40 0.82 0.21 1.51 3.64 -0.37 -1.46 116.57 121.33 2fsf h LYS 685 Ca 0.07 -0.18 -0.31 0.00 -1.27 0.00 0.00 60.65 58.95 2fsf h LYS 685 Cb 0.56 -0.12 0.02 0.00 -0.41 0.00 0.00 32.23 32.29 2fsf h LYS 685 CO 0.04 0.77 -1.44 0.00 -2.27 0.00 0.00 179.45 176.55 2fsf h ALA 686 N 1.02 -0.04 -0.99 5.00 0.00 -1.45 -1.57 119.26 121.24 2fsf h ALA 686 Ca 0.17 -0.93 0.12 0.00 0.00 0.00 0.00 54.91 54.27 2fsf h ALA 686 Cb 0.30 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 2fsf h ALA 686 CO -0.00 0.74 0.62 1.15 0.00 0.00 0.00 179.25 181.76 2fsf h THR 687 N 0.01 0.91 0.17 0.00 2.02 -1.36 -2.27 112.91 112.39 2fsf h THR 687 Ca -0.27 -0.33 -0.30 0.00 0.77 0.00 0.00 66.41 66.28 2fsf h THR 687 Cb 2.03 -0.13 0.01 0.00 -1.74 0.00 0.00 68.15 68.33 2fsf h THR 687 CO 0.21 0.17 -1.39 0.40 0.37 0.00 0.00 175.52 175.29 2fsf h ILE 688 N 0.96 1.36 -0.82 3.11 2.04 -1.26 -3.30 117.51 119.60 2fsf h ILE 688 Ca 0.49 -2.89 0.13 0.00 1.00 0.00 0.00 64.86 63.59 2fsf h ILE 688 Cb 0.51 2.95 -0.14 0.00 -0.74 0.00 0.00 36.82 39.40 2fsf h ILE 688 CO -0.25 0.86 -0.39 0.44 0.00 0.00 0.00 178.15 178.81 2fsf h ASP 689 N 0.10 -1.39 -1.19 1.72 3.32 -1.04 0.49 116.42 118.43 2fsf h ASP 689 Ca -0.20 0.28 0.44 0.00 0.02 0.00 0.00 57.03 57.57 2fsf h ASP 689 Cb 2.05 0.70 -0.16 0.00 0.22 0.00 0.00 39.33 42.15 2fsf h ASP 689 CO 0.22 -0.30 0.72 0.00 -1.72 0.00 0.00 179.24 178.17 2fsf h ALA 690 N 1.14 2.50 0.00 3.45 0.00 -1.49 -3.12 119.26 121.74 2fsf h ALA 690 Ca 0.28 0.19 -0.25 0.00 0.00 0.00 0.00 54.91 55.14 2fsf h ALA 690 Cb 0.57 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 2fsf h ALA 690 CO -0.86 -1.22 -1.96 0.66 0.00 0.00 0.00 179.25 175.87 2fsf n TYR 691 N -4.97 0.00 -3.46 0.00 4.01 -0.42 -4.81 117.16 107.51 2fsf n TYR 691 Ca 0.39 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.70 2fsf n TYR 691 Cb 1.41 -0.65 -0.07 0.00 -0.31 0.00 0.00 39.34 39.72 2fsf n TYR 691 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2fsf s ILE 692 N -2.34 4.65 0.03 -0.72 1.01 0.16 -1.88 121.20 122.12 2fsf s ILE 692 Ca -0.23 -1.58 -0.30 0.00 0.00 0.00 0.00 60.65 58.55 2fsf s ILE 692 Cb 0.06 -3.98 -0.09 0.00 0.01 0.00 0.00 42.46 38.46 2fsf s ILE 692 CO 0.39 -0.76 1.94 -2.84 0.00 0.00 0.00 174.94 173.67 2fsf s PRO 693 N 1.48 4.14 -0.45 2.79 0.02 -1.23 -3.98 135.00 137.77 2fsf s PRO 693 Ca 0.04 2.59 -0.46 0.00 0.02 0.00 0.00 61.00 63.19 2fsf s PRO 693 Cb -0.27 -4.13 -0.20 0.00 0.02 0.00 0.00 34.50 29.92 2fsf s PRO 693 CO 0.02 -0.94 1.53 -2.30 -0.33 0.00 0.00 177.00 174.97 2fsf n PRO 694 N 7.45 0.00 -1.07 5.54 -0.02 -1.26 -0.69 135.00 144.95 2fsf n PRO 694 Ca 0.20 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.65 2fsf n PRO 694 Cb 0.41 -1.48 -0.01 0.00 -0.02 0.00 0.00 33.50 32.40 2fsf n PRO 694 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2fsf n GLN 695 N 3.72 -0.47 -1.84 -0.52 1.13 -1.26 -5.00 117.38 113.14 2fsf n GLN 695 Ca 0.30 0.38 -0.31 0.00 -1.94 0.00 0.00 57.00 55.43 2fsf n GLN 695 Cb -0.05 -3.92 0.02 0.00 0.11 0.00 0.00 30.24 26.40 2fsf n GLN 695 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2fsf s SER 696 N -2.41 6.02 0.59 1.08 0.15 0.13 -4.99 113.70 114.28 2fsf s SER 696 Ca 0.00 1.40 -0.19 0.00 0.70 0.00 0.00 55.95 57.86 2fsf s SER 696 Cb 0.00 -2.40 -0.04 0.00 -1.71 0.00 0.00 66.02 61.87 2fsf s SER 696 CO 0.00 -1.00 1.08 0.18 1.20 0.00 0.00 173.24 174.70 2fsf n LEU 697 N -2.83 4.30 -0.35 3.45 4.32 -1.26 -4.86 117.00 119.77 2fsf n LEU 697 Ca 0.06 0.84 0.33 0.00 -0.02 0.00 0.00 56.01 57.23 2fsf n LEU 697 Cb 0.54 -1.44 0.69 0.00 -1.62 0.00 0.00 43.42 41.60 2fsf n LEU 697 CO 0.58 -1.52 1.30 -0.08 -1.22 0.00 0.00 177.39 176.45 2fsf h GLU 698 N 0.67 0.09 0.00 3.23 4.81 -1.99 0.10 114.58 121.49 2fsf h GLU 698 Ca -0.49 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2fsf h GLU 698 Cb 1.35 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.71 2fsf h GLU 698 CO 0.52 0.06 0.00 0.39 -0.73 0.00 0.00 179.01 179.25 2fsf n GLU 699 N -4.30 0.08 -0.16 1.92 4.71 -1.26 -3.34 120.64 118.29 2fsf n GLU 699 Ca 0.27 0.01 0.02 0.00 -0.01 0.00 0.00 57.16 57.45 2fsf n GLU 699 Cb 1.21 -1.50 0.09 0.00 -1.01 0.00 0.00 31.44 30.22 2fsf n GLU 699 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 2fsf n MET 700 N -1.46 1.69 -4.73 3.49 2.81 0.36 -4.93 117.12 114.35 2fsf n MET 700 Ca 0.08 -0.68 -0.33 0.00 -1.81 0.00 0.00 57.70 54.97 2fsf n MET 700 Cb 0.31 -1.46 -0.14 0.00 -0.71 0.00 0.00 33.22 31.22 2fsf n MET 700 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 2fsf s TRP 701 N -1.55 2.82 -0.30 2.03 0.52 -1.21 -4.39 118.94 116.85 2fsf s TRP 701 Ca 0.12 -0.65 -0.07 0.00 0.02 0.00 0.00 56.10 55.52 2fsf s TRP 701 Cb 0.08 -1.86 0.01 0.00 -1.15 0.00 0.00 33.47 30.55 2fsf s TRP 701 CO 0.05 -0.22 0.10 0.34 0.02 0.00 0.00 176.95 177.24 2fsf s ASP 702 N 0.39 5.23 -0.21 2.95 2.15 -0.79 -4.98 116.67 121.42 2fsf s ASP 702 Ca -0.10 -0.71 -0.11 0.00 0.43 0.00 0.00 52.55 52.06 2fsf s ASP 702 Cb -0.16 -1.91 -0.09 0.00 -0.30 0.00 0.00 42.92 40.47 2fsf s ASP 702 CO 0.05 -0.21 -0.28 -0.38 -0.17 0.00 0.00 175.17 174.18 2fsf n ILE 703 N 4.89 1.24 -0.70 4.11 -0.00 -1.26 -3.97 119.36 123.67 2fsf n ILE 703 Ca -0.14 -0.24 -0.17 0.00 -0.00 0.00 0.00 62.75 62.20 2fsf n ILE 703 Cb 0.48 -1.85 -0.05 0.00 -0.00 0.00 0.00 39.64 38.22 2fsf n ILE 703 CO 0.00 0.00 0.00 -2.65 -0.00 0.00 0.00 176.55 173.90 2fsf n PRO 704 N -4.02 0.00 0.00 0.38 -0.02 -1.26 0.19 135.00 130.27 2fsf n PRO 704 Ca -0.39 -0.41 0.00 0.00 -2.02 0.00 0.00 63.50 60.68 2fsf n PRO 704 Cb 0.76 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 2fsf n PRO 704 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fsf n GLY 705 N 4.01 1.91 0.00 -1.23 0.00 -1.26 -5.01 105.19 103.62 2fsf n GLY 705 Ca 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2fsf n GLY 705 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2fsf n LEU 706 N 0.00 0.10 -0.35 0.99 7.94 0.51 -2.73 117.00 123.47 2fsf n LEU 706 Ca 0.00 0.53 0.02 0.00 -1.11 0.00 0.00 56.01 55.45 2fsf n LEU 706 Cb 0.00 -0.48 0.09 0.00 0.53 0.00 0.00 43.42 43.56 2fsf n LEU 706 CO 0.00 -0.48 0.59 0.00 -1.11 0.00 0.00 177.39 176.39 2fsf n GLN 707 N -1.94 -0.15 0.18 1.96 10.64 -1.02 -0.40 117.38 126.65 2fsf n GLN 707 Ca 0.00 1.47 -0.15 0.00 -1.83 0.00 0.00 57.00 56.48 2fsf n GLN 707 Cb 0.00 -2.18 -0.08 0.00 -0.86 0.00 0.00 30.24 27.12 2fsf n GLN 707 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 2fsf h GLU 708 N 0.00 -0.70 -0.40 2.61 4.39 -1.75 -0.25 114.58 118.48 2fsf h GLU 708 Ca 0.39 0.05 0.07 0.00 0.34 0.00 0.00 59.36 60.21 2fsf h GLU 708 Cb 0.63 0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 29.38 2fsf h GLU 708 CO -0.96 -0.47 0.02 -0.09 -1.16 0.00 0.00 179.01 176.35 2fsf h ARG 709 N -0.73 0.13 -0.48 2.33 2.43 -1.12 0.33 114.38 117.27 2fsf h ARG 709 Ca -0.00 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.25 2fsf h ARG 709 Cb 0.70 -0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 30.14 2fsf h ARG 709 CO -0.16 0.08 -0.01 -0.07 -1.51 0.00 0.00 179.97 178.31 2fsf h LEU 710 N 0.13 -0.22 -0.10 3.80 3.38 -0.41 0.98 115.31 122.87 2fsf h LEU 710 Ca 0.20 0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.26 2fsf h LEU 710 Cb 0.27 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2fsf h LEU 710 CO -0.31 -0.07 -0.05 0.11 0.09 0.00 0.00 178.44 178.21 2fsf h LYS 711 N 0.11 0.21 -0.38 1.13 1.57 0.55 -0.70 116.57 119.06 2fsf h LYS 711 Ca 0.24 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.86 2fsf h LYS 711 Cb 0.36 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 2fsf h LYS 711 CO -0.41 0.56 -0.08 -0.91 -0.57 0.00 0.00 179.45 178.04 2fsf h ASN 712 N -0.14 0.62 0.00 0.86 4.21 0.82 -1.13 115.58 120.82 2fsf h ASN 712 Ca 0.02 -0.16 0.00 0.00 1.21 0.00 0.00 56.30 57.37 2fsf h ASN 712 Cb 0.49 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.53 2fsf h ASN 712 CO 0.01 0.74 -1.38 0.47 -1.29 0.00 0.00 177.43 175.99 2fsf n ASP 713 N -4.20 1.10 -0.06 5.81 10.43 0.33 -4.63 116.55 125.33 2fsf n ASP 713 Ca 0.01 -0.31 0.00 0.00 2.57 0.00 0.00 54.79 57.06 2fsf n ASP 713 Cb 0.32 1.47 0.01 0.00 1.84 0.00 0.00 41.12 44.76 2fsf n ASP 713 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 2fsf n PHE 714 N -1.81 0.00 -4.26 1.24 3.72 -0.74 -4.50 117.46 111.10 2fsf n PHE 714 Ca -0.01 -0.16 -0.34 0.00 -0.05 0.00 0.00 57.45 56.89 2fsf n PHE 714 Cb 0.36 -0.02 -0.05 0.00 -0.94 0.00 0.00 39.48 38.82 2fsf n PHE 714 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2fsf n ASP 715 N -0.18 -1.55 -4.05 4.37 8.00 -0.43 -4.49 116.55 118.23 2fsf n ASP 715 Ca 0.01 -1.11 -0.31 0.00 0.71 0.00 0.00 54.79 54.08 2fsf n ASP 715 Cb 0.47 -2.35 -0.16 0.00 -0.02 0.00 0.00 41.12 39.06 2fsf n ASP 715 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2fsf s LEU 716 N -7.22 2.50 -0.42 0.64 2.96 -0.34 -4.91 118.68 111.88 2fsf s LEU 716 Ca 0.47 -0.93 0.03 0.00 -0.22 0.00 0.00 54.13 53.47 2fsf s LEU 716 Cb -0.26 -1.37 0.12 0.00 0.50 0.00 0.00 46.19 45.18 2fsf s LEU 716 CO 0.96 -0.12 0.18 -0.62 -1.32 0.00 0.00 176.35 175.43 2fsf s ASP 717 N 1.30 4.14 -0.59 3.68 -1.08 -1.26 -1.12 116.67 121.75 2fsf s ASP 717 Ca -0.01 -2.45 0.04 0.00 -0.52 0.00 0.00 52.55 49.61 2fsf s ASP 717 Cb -0.16 -1.30 0.15 0.00 -1.46 0.00 0.00 42.92 40.15 2fsf s ASP 717 CO -0.09 -0.31 0.36 -0.76 0.52 0.00 0.00 175.17 174.90 2fsf s LEU 718 N 0.53 4.19 -0.12 -1.34 1.02 -1.26 -5.02 118.68 116.67 2fsf s LEU 718 Ca 0.15 -3.34 -0.01 0.00 0.02 0.00 0.00 54.13 50.94 2fsf s LEU 718 Cb -0.22 -1.50 -0.04 0.00 0.02 0.00 0.00 46.19 44.44 2fsf s LEU 718 CO -0.06 -0.17 0.90 -2.65 0.02 0.00 0.00 176.35 174.39 2fsf n PRO 719 N 2.64 0.00 0.17 1.29 -0.01 -1.26 -4.73 135.00 133.10 2fsf n PRO 719 Ca 0.13 0.00 -0.07 0.00 -0.01 0.00 0.00 63.50 63.55 2fsf n PRO 719 Cb 0.34 -0.76 -0.03 0.00 -0.01 0.00 0.00 33.50 33.04 2fsf n PRO 719 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 175.50 176.31 2fsf h ILE 720 N 5.30 0.00 0.00 4.25 2.04 -2.00 -2.90 117.51 124.20 2fsf h ILE 720 Ca 0.00 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.69 2fsf h ILE 720 Cb 0.77 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 2fsf h ILE 720 CO 0.83 0.00 0.12 0.00 0.00 0.00 0.00 178.15 179.10 2fsf n ALA 721 N -2.36 0.85 0.07 1.87 0.00 -1.26 -0.13 120.51 119.55 2fsf n ALA 721 Ca -0.06 0.12 -0.04 0.00 0.00 0.00 0.00 53.44 53.47 2fsf n ALA 721 Cb 0.18 -1.02 -0.08 0.00 0.00 0.00 0.00 19.45 18.53 2fsf n ALA 721 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2fsf h GLU 722 N 0.00 0.00 0.66 0.00 4.11 -1.89 -2.61 114.58 114.85 2fsf h GLU 722 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 2fsf h GLU 722 Cb 0.23 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.49 2fsf h GLU 722 CO 0.00 0.72 -0.32 -1.49 0.07 0.00 0.00 179.01 177.99 2fsf h TRP 723 N 0.00 -0.82 0.00 2.06 -0.00 -0.34 -2.96 115.95 113.89 2fsf h TRP 723 Ca -0.06 -0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.81 2fsf h TRP 723 Cb 1.68 0.27 0.00 0.00 -0.00 0.00 0.00 29.16 31.12 2fsf h TRP 723 CO 0.00 -0.51 0.00 1.28 -0.00 0.00 0.00 178.44 179.21 2fsf n LEU 724 N -4.52 0.00 -0.11 -4.49 4.77 -0.91 0.19 117.00 111.93 2fsf n LEU 724 Ca -0.11 0.04 -0.13 0.00 -0.03 0.00 0.00 56.01 55.78 2fsf n LEU 724 Cb 0.35 -0.04 -0.13 0.00 -2.33 0.00 0.00 43.42 41.26 2fsf n LEU 724 CO 0.27 -0.04 -1.22 0.47 -1.33 0.00 0.00 177.39 175.53 2fsf n ASP 725 N -1.03 1.14 0.12 -1.43 10.43 -0.99 -4.16 116.55 120.64 2fsf n ASP 725 Ca 0.00 -0.07 -0.19 0.00 2.57 0.00 0.00 54.79 57.10 2fsf n ASP 725 Cb 0.00 0.29 -0.15 0.00 1.84 0.00 0.00 41.12 43.11 2fsf n ASP 725 CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 2fsf h LYS 726 N 0.00 0.37 -3.69 -1.24 1.79 -0.08 -3.41 116.57 110.30 2fsf h LYS 726 Ca -0.54 -0.62 -0.68 0.00 -2.18 0.00 0.00 60.65 56.62 2fsf h LYS 726 Cb 2.03 0.23 -0.36 0.00 -1.58 0.00 0.00 32.23 32.55 2fsf h LYS 726 CO -0.03 1.30 -0.44 -1.83 -1.08 0.00 0.00 179.45 177.36 2fsf s GLU 727 N -2.64 2.36 -1.06 3.15 1.03 0.43 -5.01 118.70 116.96 2fsf s GLU 727 Ca -0.06 -2.45 -0.14 0.00 0.03 0.00 0.00 54.97 52.36 2fsf s GLU 727 Cb 0.06 -3.62 0.20 0.00 -0.80 0.00 0.00 34.13 29.96 2fsf s GLU 727 CO 0.91 -1.14 1.18 -1.25 -1.33 0.00 0.00 175.26 173.62 2fsf s PRO 728 N 0.06 3.94 0.00 -4.83 0.05 -1.26 -4.31 135.00 128.65 2fsf s PRO 728 Ca 0.16 -2.55 0.00 0.00 0.05 0.00 0.00 61.00 58.66 2fsf s PRO 728 Cb -0.21 -4.80 0.00 0.00 0.05 0.00 0.00 34.50 29.53 2fsf s PRO 728 CO -0.03 -1.56 0.00 -0.85 0.05 0.00 0.00 177.00 174.61 2fsf n GLU 729 N 4.82 0.00 -0.07 4.56 -0.00 -1.26 -5.07 120.64 123.63 2fsf n GLU 729 Ca 0.27 0.00 0.04 0.00 -0.00 0.00 0.00 57.16 57.47 2fsf n GLU 729 Cb 0.44 0.00 0.39 0.00 -0.00 0.00 0.00 31.44 32.27 2fsf n GLU 729 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.13 178.50 2fsf h LEU 730 N 0.00 0.56 -0.31 -1.84 -0.00 -2.00 -3.49 115.31 108.23 2fsf h LEU 730 Ca 0.00 -0.01 0.18 0.00 -0.00 0.00 0.00 57.88 58.05 2fsf h LEU 730 Cb 0.00 -0.14 -0.10 0.00 -0.00 0.00 0.00 40.66 40.43 2fsf h LEU 730 CO 0.00 0.40 -0.66 1.41 -0.00 0.00 0.00 178.44 179.59 2fsf n HIS 731 N -4.46 -1.98 -0.11 0.17 8.25 -1.26 -4.49 115.22 111.34 2fsf n HIS 731 Ca 0.05 1.10 -0.02 0.00 -0.26 0.00 0.00 57.72 58.59 2fsf n HIS 731 Cb 0.09 -1.80 0.21 0.00 1.12 0.00 0.00 29.99 29.61 2fsf n HIS 731 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2fsf h GLU 732 N -0.72 0.78 -0.28 -0.41 4.81 -1.97 -2.67 114.58 114.12 2fsf h GLU 732 Ca -0.10 -0.16 -0.14 0.00 -0.13 0.00 0.00 59.36 58.83 2fsf h GLU 732 Cb 0.71 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.96 2fsf h GLU 732 CO 0.04 0.71 -0.36 1.49 -0.73 0.00 0.00 179.01 180.16 2fsf h GLU 733 N 0.76 0.74 0.00 1.92 4.57 -2.00 -1.81 114.58 118.76 2fsf h GLU 733 Ca 0.17 -0.42 -0.06 0.00 -1.18 0.00 0.00 59.36 57.87 2fsf h GLU 733 Cb 0.29 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 2fsf h GLU 733 CO -0.00 1.04 -0.28 1.79 -1.18 0.00 0.00 179.01 180.38 2fsf h THR 734 N 0.48 1.14 0.08 0.32 1.35 -1.71 0.46 112.91 115.04 2fsf h THR 734 Ca 0.03 -0.99 -0.26 0.00 -0.55 0.00 0.00 66.41 64.65 2fsf h THR 734 Cb 0.94 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 68.90 2fsf h THR 734 CO 0.08 0.28 -1.22 0.17 -0.25 0.00 0.00 175.52 174.58 2fsf h LEU 735 N 0.00 0.27 0.43 3.87 8.10 -1.45 -2.28 115.31 124.26 2fsf h LEU 735 Ca -0.00 -0.31 -0.02 0.00 0.11 0.00 0.00 57.88 57.66 2fsf h LEU 735 Cb 0.52 -0.09 0.00 0.00 -0.44 0.00 0.00 40.66 40.66 2fsf h LEU 735 CO 0.04 1.24 -0.21 0.03 -4.11 0.00 0.00 178.44 175.43 2fsf h ARG 736 N 0.05 -0.56 -0.81 0.17 3.08 -1.16 -1.70 114.38 113.45 2fsf h ARG 736 Ca -0.12 0.04 0.14 0.00 0.07 0.00 0.00 59.98 60.11 2fsf h ARG 736 Cb 1.92 0.13 -0.14 0.00 0.08 0.00 0.00 29.97 31.95 2fsf h ARG 736 CO 0.17 -0.36 -0.27 0.39 -1.07 0.00 0.00 179.97 178.83 2fsf n GLU 737 N -5.33 -0.14 0.09 0.04 1.02 0.14 -2.44 120.64 114.01 2fsf n GLU 737 Ca -0.11 1.26 -0.12 0.00 -0.02 0.00 0.00 57.16 58.17 2fsf n GLU 737 Cb 0.25 -1.87 -0.11 0.00 -0.02 0.00 0.00 31.44 29.69 2fsf n GLU 737 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2fsf h ARG 738 N 0.00 0.18 -0.36 3.49 3.08 -1.06 -2.41 114.38 117.30 2fsf h ARG 738 Ca 0.33 -0.28 0.02 0.00 0.07 0.00 0.00 59.98 60.12 2fsf h ARG 738 Cb 0.53 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 2fsf h ARG 738 CO -0.82 1.10 0.20 0.82 -1.07 0.00 0.00 179.97 180.20 2fsf h ILE 739 N 0.06 1.01 -0.27 2.04 2.04 -1.06 -0.52 117.51 120.81 2fsf h ILE 739 Ca -0.08 -0.14 0.06 0.00 1.00 0.00 0.00 64.86 65.70 2fsf h ILE 739 Cb 1.82 0.57 -0.07 0.00 -0.74 0.00 0.00 36.82 38.40 2fsf h ILE 739 CO 0.17 0.07 -0.16 0.25 0.00 0.00 0.00 178.15 178.48 2fsf h LEU 740 N 0.41 -0.54 -0.71 1.44 5.85 -1.51 -2.72 115.31 117.52 2fsf h LEU 740 Ca 0.15 0.12 0.12 0.00 0.84 0.00 0.00 57.88 59.11 2fsf h LEU 740 Cb 0.03 0.28 -0.09 0.00 0.37 0.00 0.00 40.66 41.26 2fsf h LEU 740 CO -0.09 -0.20 0.29 0.00 -0.34 0.00 0.00 178.44 178.10 2fsf h ALA 741 N 1.04 0.97 -0.52 1.25 0.00 -0.83 -1.56 119.26 119.61 2fsf h ALA 741 Ca 0.15 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 2fsf h ALA 741 Cb 0.36 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2fsf h ALA 741 CO -0.36 -0.18 0.06 1.96 0.00 0.00 0.00 179.25 180.73 2fsf h GLN 742 N 0.46 0.84 -0.19 0.00 1.08 -0.88 -0.75 115.11 115.67 2fsf h GLN 742 Ca 0.38 -0.20 -0.13 0.00 -1.45 0.00 0.00 58.65 57.24 2fsf h GLN 742 Cb 0.52 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 2fsf h GLN 742 CO -0.36 0.80 -0.39 0.66 -0.95 0.00 0.00 178.83 178.59 2fsf h SER 743 N 0.79 0.67 -0.86 1.46 4.64 -1.06 -1.40 113.55 117.79 2fsf h SER 743 Ca 0.16 -0.55 0.06 0.00 -0.47 0.00 0.00 61.79 60.99 2fsf h SER 743 Cb 0.39 -0.19 -0.06 0.00 -0.31 0.00 0.00 62.40 62.23 2fsf h SER 743 CO 0.01 1.10 0.53 0.40 -0.87 0.00 0.00 176.83 178.00 2fsf h ILE 744 N 0.27 1.03 0.12 0.95 2.04 -1.21 -2.66 117.51 118.05 2fsf h ILE 744 Ca 0.00 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 2fsf h ILE 744 Cb 0.99 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 2fsf h ILE 744 CO 0.09 0.17 -0.06 1.05 0.00 0.00 0.00 178.15 179.40 2fsf h GLU 745 N 0.96 -0.15 -0.12 2.37 4.11 -0.53 -2.13 114.58 119.09 2fsf h GLU 745 Ca 0.38 0.01 0.04 0.00 0.07 0.00 0.00 59.36 59.85 2fsf h GLU 745 Cb 0.19 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 2fsf h GLU 745 CO -0.18 0.18 0.20 0.28 0.07 0.00 0.00 179.01 179.56 2fsf h VAL 746 N -0.50 0.29 0.20 -1.06 2.07 -1.27 -2.23 116.25 113.75 2fsf h VAL 746 Ca -0.02 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 67.19 2fsf h VAL 746 Cb 0.40 0.82 0.03 0.00 -1.52 0.00 0.00 31.29 31.03 2fsf h VAL 746 CO 0.03 0.00 -1.34 0.22 0.02 0.00 0.00 177.57 176.50 2fsf h TYR 747 N 0.00 0.97 0.00 1.57 5.03 -1.04 -3.30 116.97 120.20 2fsf h TYR 747 Ca 0.06 -0.67 -0.05 0.00 2.58 0.00 0.00 58.73 60.65 2fsf h TYR 747 Cb 0.47 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.68 2fsf h TYR 747 CO 0.00 1.51 -0.25 1.96 -1.32 0.00 0.00 178.16 180.06 2fsf h GLN 748 N 0.16 0.00 -0.25 1.82 4.20 -0.81 -2.18 115.11 118.06 2fsf h GLN 748 Ca -0.22 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.36 2fsf h GLN 748 Cb 2.03 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.81 2fsf h GLN 748 CO 0.25 0.25 -0.35 0.00 -0.67 0.00 0.00 178.83 178.31 2fsf h ARG 749 N 0.00 0.67 -0.81 1.46 -0.00 -1.66 0.57 114.38 114.61 2fsf h ARG 749 Ca -0.00 -0.39 0.06 0.00 -0.50 0.00 0.00 59.98 59.15 2fsf h ARG 749 Cb 0.67 0.03 -0.06 0.00 0.00 0.00 0.00 29.97 30.62 2fsf h ARG 749 CO 0.03 1.01 0.49 0.87 0.00 0.00 0.00 179.97 182.37 2fsf h LYS 750 N 0.39 0.86 -0.08 0.04 1.57 -1.57 -1.17 116.57 116.61 2fsf h LYS 750 Ca 0.03 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 2fsf h LYS 750 Cb 0.94 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 2fsf h LYS 750 CO 0.08 0.57 -0.30 1.49 -0.57 0.00 0.00 179.45 180.72 2fsf h GLU 751 N 0.88 0.15 0.00 3.15 4.81 -1.08 -0.92 114.58 121.58 2fsf h GLU 751 Ca 0.36 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.51 2fsf h GLU 751 Cb 0.19 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 2fsf h GLU 751 CO -0.18 0.44 -0.40 1.05 -0.73 0.00 0.00 179.01 179.19 2fsf h GLU 752 N 0.14 0.00 -0.16 1.92 4.11 -0.36 0.42 114.58 120.64 2fsf h GLU 752 Ca 0.02 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.43 2fsf h GLU 752 Cb 0.60 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2fsf h GLU 752 CO 0.04 0.08 0.04 0.28 0.07 0.00 0.00 179.01 179.53 2fsf h VAL 753 N 0.00 1.20 0.07 -1.06 2.07 -0.86 -3.40 116.25 114.28 2fsf h VAL 753 Ca -0.01 -0.63 -0.35 0.00 0.82 0.00 0.00 66.70 66.53 2fsf h VAL 753 Cb 1.08 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 32.13 2fsf h VAL 753 CO 0.01 0.19 -2.02 0.52 0.02 0.00 0.00 177.57 176.29 2fsf n VAL 754 N -4.81 1.68 0.00 2.57 0.31 -0.38 -5.08 118.33 112.61 2fsf n VAL 754 Ca -0.05 -0.69 0.00 0.00 -0.01 0.00 0.00 64.34 63.59 2fsf n VAL 754 Cb 0.16 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 2fsf n VAL 754 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2fsf n GLY 755 N 1.92 2.51 0.16 2.92 0.00 0.15 -4.64 105.19 108.20 2fsf n GLY 755 Ca -0.30 -1.57 -0.06 0.00 0.00 0.00 0.00 46.02 44.08 2fsf n GLY 755 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fsf h ALA 756 N 0.00 0.20 -0.18 4.61 0.00 -1.97 -1.88 119.26 120.05 2fsf h ALA 756 Ca 0.00 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.09 2fsf h ALA 756 Cb 0.00 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 2fsf h ALA 756 CO 0.00 -0.47 -0.18 0.93 0.00 0.00 0.00 179.25 179.53 2fsf h GLU 757 N -0.02 -0.19 -0.88 0.00 4.39 -1.95 0.17 114.58 116.11 2fsf h GLU 757 Ca 0.16 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.88 2fsf h GLU 757 Cb 0.26 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.91 2fsf h GLU 757 CO -0.35 -0.13 0.55 1.98 -1.16 0.00 0.00 179.01 179.90 2fsf h MET 758 N -0.20 1.17 -0.13 2.33 4.05 -1.79 -1.86 114.93 118.50 2fsf h MET 758 Ca 0.11 -0.09 -0.08 0.00 -0.28 0.00 0.00 59.70 59.36 2fsf h MET 758 Cb 0.37 -0.25 0.00 0.00 -0.80 0.00 0.00 31.60 30.91 2fsf h MET 758 CO -0.29 0.80 -0.25 1.98 0.23 0.00 0.00 176.91 179.38 2fsf h MET 759 N 1.20 0.40 -0.72 0.39 1.85 -0.37 0.79 114.93 118.47 2fsf h MET 759 Ca 0.32 -0.25 0.08 0.00 -0.61 0.00 0.00 59.70 59.24 2fsf h MET 759 Cb -0.09 0.03 -0.07 0.00 0.43 0.00 0.00 31.60 31.90 2fsf h MET 759 CO -0.06 0.85 0.38 0.00 -0.40 0.00 0.00 176.91 177.68 2fsf h ARG 760 N -0.01 0.64 0.00 0.39 2.47 -0.65 -0.88 114.38 116.34 2fsf h ARG 760 Ca 0.01 -0.04 -0.14 0.00 -1.26 0.00 0.00 59.98 58.54 2fsf h ARG 760 Cb 0.84 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.99 2fsf h ARG 760 CO 0.06 0.43 -0.67 0.45 0.56 0.00 0.00 179.97 180.79 2fsf h HIS 761 N 0.66 0.00 -0.30 3.04 3.86 -1.10 -2.66 115.15 118.65 2fsf h HIS 761 Ca 0.34 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.51 2fsf h HIS 761 Cb 0.31 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 2fsf h HIS 761 CO -0.09 0.67 0.01 0.35 0.86 0.00 0.00 177.93 179.74 2fsf h PHE 762 N 0.00 0.56 -0.82 2.45 3.57 -0.62 -1.58 116.94 120.50 2fsf h PHE 762 Ca -0.01 -0.09 0.10 0.00 3.53 0.00 0.00 57.97 61.50 2fsf h PHE 762 Cb 1.37 -0.15 -0.08 0.00 2.79 0.00 0.00 35.95 39.88 2fsf h PHE 762 CO 0.00 0.64 0.46 0.93 -2.23 0.00 0.00 178.31 178.11 2fsf h GLU 763 N 0.32 0.74 -0.39 1.11 5.08 -1.01 0.82 114.58 121.24 2fsf h GLU 763 Ca 0.09 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.31 2fsf h GLU 763 Cb 0.41 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2fsf h GLU 763 CO 0.01 0.49 -0.10 -0.22 -1.00 0.00 0.00 179.01 178.19 2fsf h LYS 764 N 0.76 0.76 -0.78 2.33 3.64 -1.36 -1.99 116.57 119.92 2fsf h LYS 764 Ca 0.40 -0.29 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 2fsf h LYS 764 Cb 0.40 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 2fsf h LYS 764 CO -0.26 0.90 0.30 0.78 -2.27 0.00 0.00 179.45 178.90 2fsf h GLY 765 N 0.57 1.25 0.97 5.01 0.00 -0.69 -0.50 103.07 109.68 2fsf h GLY 765 Ca 0.10 -0.69 0.01 0.00 0.00 0.00 0.00 47.33 46.75 2fsf h GLY 765 CO 0.04 0.65 0.32 -2.08 0.00 0.00 0.00 176.54 175.47 2fsf h VAL 766 N 1.13 1.11 -0.13 4.60 2.07 -0.74 -0.08 116.25 124.20 2fsf h VAL 766 Ca 0.26 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 2fsf h VAL 766 Cb 0.23 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2fsf h VAL 766 CO -0.02 0.12 0.04 0.24 0.02 0.00 0.00 177.57 177.97 2fsf h MET 767 N 0.66 0.21 -0.40 1.57 2.07 -1.06 -0.56 114.93 117.43 2fsf h MET 767 Ca 0.19 -0.05 -0.00 0.00 -2.07 0.00 0.00 59.70 57.77 2fsf h MET 767 Cb -0.05 -0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 29.63 2fsf h MET 767 CO -0.05 0.36 0.25 -0.07 1.07 0.00 0.00 176.91 178.46 2fsf h LEU 768 N 0.02 0.48 -0.51 1.22 3.38 -0.99 -1.15 115.31 117.77 2fsf h LEU 768 Ca 0.04 -0.05 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 2fsf h LEU 768 Cb 0.24 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2fsf h LEU 768 CO -0.00 0.38 -0.51 -0.61 0.09 0.00 0.00 178.44 177.79 2fsf h GLN 769 N 0.53 0.62 -0.58 1.13 4.15 -0.89 -1.12 115.11 118.94 2fsf h GLN 769 Ca 0.14 -0.37 -0.11 0.00 0.77 0.00 0.00 58.65 59.09 2fsf h GLN 769 Cb -0.01 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 2fsf h GLN 769 CO -0.03 0.98 -0.05 1.15 -1.93 0.00 0.00 178.83 178.95 2fsf h THR 770 N 0.48 1.27 -0.76 2.39 2.02 -0.99 -1.38 112.91 115.95 2fsf h THR 770 Ca 0.02 -1.22 -0.03 0.00 0.77 0.00 0.00 66.41 65.95 2fsf h THR 770 Cb 1.06 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 68.31 2fsf h THR 770 CO 0.10 0.44 0.34 0.25 0.37 0.00 0.00 175.52 177.02 2fsf h LEU 771 N 0.96 1.01 -0.35 2.58 6.46 -1.08 -1.82 115.31 123.08 2fsf h LEU 771 Ca 0.16 -0.15 -0.15 0.00 -0.12 0.00 0.00 57.88 57.62 2fsf h LEU 771 Cb 0.62 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 2fsf h LEU 771 CO 0.04 0.88 -0.35 0.44 -0.62 0.00 0.00 178.44 178.83 2fsf h ASP 772 N 1.07 0.91 -0.31 1.25 3.32 -1.08 0.18 116.42 121.77 2fsf h ASP 772 Ca 0.26 -0.47 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 2fsf h ASP 772 Cb 0.15 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2fsf h ASP 772 CO -0.03 1.19 0.16 0.28 -1.72 0.00 0.00 179.24 179.12 2fsf h SER 773 N 0.64 0.40 0.64 6.45 0.02 -1.07 -1.40 113.55 119.23 2fsf h SER 773 Ca 0.05 -0.11 -0.14 0.00 -0.84 0.00 0.00 61.79 60.75 2fsf h SER 773 Cb 0.94 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.36 2fsf h SER 773 CO 0.09 0.40 -0.68 -0.07 -1.14 0.00 0.00 176.83 175.43 2fsf h LEU 774 N 0.37 0.04 -0.11 5.07 3.38 -1.22 -1.88 115.31 120.96 2fsf h LEU 774 Ca 0.11 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2fsf h LEU 774 Cb 0.10 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2fsf h LEU 774 CO -0.01 0.70 -0.01 -0.25 0.09 0.00 0.00 178.44 178.96 2fsf h TRP 775 N 0.02 0.22 -0.56 1.13 2.91 -0.51 -2.08 115.95 117.08 2fsf h TRP 775 Ca -0.01 -0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.97 2fsf h TRP 775 Cb 1.20 -0.05 -0.03 0.00 -0.51 0.00 0.00 29.16 29.77 2fsf h TRP 775 CO 0.00 0.47 0.37 0.87 -1.03 0.00 0.00 178.44 179.12 2fsf h LYS 776 N -0.10 0.74 -0.42 2.65 1.57 -1.24 0.42 116.57 120.19 2fsf h LYS 776 Ca 0.03 -0.05 0.08 0.00 -1.87 0.00 0.00 60.65 58.84 2fsf h LYS 776 Cb 0.39 -0.17 -0.08 0.00 0.08 0.00 0.00 32.23 32.46 2fsf h LYS 776 CO 0.01 0.50 -0.07 1.49 -0.57 0.00 0.00 179.45 180.81 2fsf h GLU 777 N 0.76 0.03 -0.20 3.15 4.81 -1.33 -2.18 114.58 119.62 2fsf h GLU 777 Ca 0.20 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2fsf h GLU 777 Cb -0.08 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 2fsf h GLU 777 CO -0.04 0.02 0.13 1.25 -0.73 0.00 0.00 179.01 179.63 2fsf h HIS 778 N 0.04 0.26 -0.84 0.92 2.76 -0.81 -0.84 115.15 116.64 2fsf h HIS 778 Ca 0.21 0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.48 2fsf h HIS 778 Cb 0.31 -0.09 -0.06 0.00 1.55 0.00 0.00 27.41 29.13 2fsf h HIS 778 CO -0.34 0.20 0.55 -0.07 -1.30 0.00 0.00 177.93 176.96 2fsf h LEU 779 N 0.25 0.72 0.01 0.26 4.07 -0.69 0.56 115.31 120.49 2fsf h LEU 779 Ca 0.07 0.02 -0.23 0.00 0.08 0.00 0.00 57.88 57.83 2fsf h LEU 779 Cb 0.01 -0.13 0.02 0.00 1.08 0.00 0.00 40.66 41.64 2fsf h LEU 779 CO -0.01 0.42 -0.89 0.00 -1.08 0.00 0.00 178.44 176.88 2fsf h ALA 780 N 1.58 0.10 -0.50 1.53 0.00 -0.95 -2.40 119.26 118.62 2fsf h ALA 780 Ca 0.39 -0.66 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 2fsf h ALA 780 Cb 0.44 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2fsf h ALA 780 CO -0.16 0.56 0.05 0.00 0.00 0.00 0.00 179.25 179.70 2fsf h ALA 781 N 0.36 1.16 -0.39 0.00 0.00 -0.76 -2.32 119.26 117.31 2fsf h ALA 781 Ca -0.11 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.41 2fsf h ALA 781 Cb 1.57 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 2fsf h ALA 781 CO 0.18 0.55 -0.35 0.52 0.00 0.00 0.00 179.25 180.15 2fsf h MET 782 N 0.76 0.90 -0.40 0.00 2.07 -0.88 -1.15 114.93 116.22 2fsf h MET 782 Ca 0.16 -0.45 0.08 0.00 -2.07 0.00 0.00 59.70 57.42 2fsf h MET 782 Cb 0.38 0.00 -0.09 0.00 -1.87 0.00 0.00 31.60 30.02 2fsf h MET 782 CO 0.01 1.10 -0.26 0.22 1.07 0.00 0.00 176.91 179.05 2fsf h ASP 783 N 0.74 -0.88 -0.23 1.22 3.58 -1.28 0.82 116.42 120.40 2fsf h ASP 783 Ca 0.07 0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.68 2fsf h ASP 783 Cb 0.92 0.44 -0.01 0.00 1.72 0.00 0.00 39.33 42.40 2fsf h ASP 783 CO 0.09 -0.28 0.09 1.88 -2.88 0.00 0.00 179.24 178.14 2fsf h TYR 784 N -0.19 0.35 -0.90 0.28 0.05 -1.29 -2.69 116.97 112.58 2fsf h TYR 784 Ca 0.19 -0.03 0.08 0.00 0.05 0.00 0.00 58.73 59.02 2fsf h TYR 784 Cb 0.49 -0.11 -0.07 0.00 1.01 0.00 0.00 36.73 38.06 2fsf h TYR 784 CO -0.49 0.38 0.56 -0.07 -1.05 0.00 0.00 178.16 177.49 2fsf h LEU 785 N 0.22 0.87 -1.20 3.88 3.38 -1.00 0.97 115.31 122.43 2fsf h LEU 785 Ca 0.08 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2fsf h LEU 785 Cb 0.18 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2fsf h LEU 785 CO -0.01 0.53 0.08 0.03 0.09 0.00 0.00 178.44 179.17 2fsf h ARG 786 N 0.99 0.63 0.00 1.13 3.08 -0.53 0.76 114.38 120.44 2fsf h ARG 786 Ca 0.41 -0.12 -0.27 0.00 0.07 0.00 0.00 59.98 60.07 2fsf h ARG 786 Cb 0.24 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.14 2fsf h ARG 786 CO -0.20 0.59 -2.00 0.00 -1.07 0.00 0.00 179.97 177.30 2fsf n GLN 787 N -4.30 0.66 -0.23 0.04 10.64 -1.02 -3.30 117.38 119.87 2fsf n GLN 787 Ca 0.03 0.08 0.03 0.00 -1.83 0.00 0.00 57.00 55.31 2fsf n GLN 787 Cb 0.21 -1.64 0.15 0.00 -0.86 0.00 0.00 30.24 28.11 2fsf n GLN 787 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 2fsf h GLY 788 N 3.84 0.99 -4.42 2.61 0.00 0.11 -2.52 103.07 103.68 2fsf h GLY 788 Ca -0.35 -0.10 -0.39 0.00 0.00 0.00 0.00 47.33 46.49 2fsf h GLY 788 CO 0.04 -0.10 0.55 1.39 0.00 0.00 0.00 176.54 178.42 2fsf n ILE 789 N -5.05 3.43 -0.02 2.60 -0.00 0.26 0.52 119.36 121.10 2fsf n ILE 789 Ca 0.12 -2.35 -0.04 0.00 -0.00 0.00 0.00 62.75 60.47 2fsf n ILE 789 Cb 0.37 -1.93 -0.02 0.00 -0.00 0.00 0.00 39.64 38.06 2fsf n ILE 789 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 2fsf n HIS 790 N 1.99 0.00 -2.77 1.39 8.25 -0.95 -4.86 115.22 118.28 2fsf n HIS 790 Ca 0.50 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.94 2fsf n HIS 790 Cb 0.67 -0.18 0.06 0.00 1.12 0.00 0.00 29.99 31.66 2fsf n HIS 790 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2fsf n LEU 791 N -2.93 0.90 0.29 2.41 7.94 -1.06 -4.73 117.00 119.82 2fsf n LEU 791 Ca -0.09 -3.21 0.20 0.00 -1.11 0.00 0.00 56.01 51.79 2fsf n LEU 791 Cb 0.58 0.39 0.99 0.00 0.53 0.00 0.00 43.42 45.90 2fsf n LEU 791 CO 0.03 1.28 1.08 0.03 -1.11 0.00 0.00 177.39 178.71 2fsf h ARG 792 N 2.41 0.00 0.00 1.96 2.47 1.25 -3.46 114.38 119.00 2fsf h ARG 792 Ca -0.19 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.53 2fsf h ARG 792 Cb 1.26 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.58 2fsf h ARG 792 CO 0.17 0.00 0.00 0.41 0.56 0.00 0.00 179.97 181.11 2fsf n GLY 793 N -0.78 3.46 0.16 0.04 0.00 -1.26 -5.03 105.19 101.78 2fsf n GLY 793 Ca -0.02 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2fsf n GLY 793 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2fsf n TYR 794 N -0.99 -0.43 -2.96 1.61 4.02 -1.26 -4.92 117.16 112.23 2fsf n TYR 794 Ca 0.00 0.22 -0.44 0.00 -0.01 0.00 0.00 57.90 57.67 2fsf n TYR 794 Cb 0.00 -1.55 -0.00 0.00 -0.02 0.00 0.00 39.34 37.77 2fsf n TYR 794 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2fsf s ALA 795 N -1.43 3.93 0.00 -0.72 0.00 -1.26 -4.87 121.76 117.41 2fsf s ALA 795 Ca 0.00 -3.29 0.00 0.00 0.00 0.00 0.00 51.96 48.67 2fsf s ALA 795 Cb 0.00 -4.08 0.00 0.00 0.00 0.00 0.00 23.12 19.04 2fsf s ALA 795 CO 0.00 -2.78 0.00 1.04 0.00 0.00 0.00 175.76 174.02 2fsf n GLN 796 N 5.65 -0.49 0.00 0.00 1.13 -1.26 -5.15 117.38 117.27 2fsf n GLN 796 Ca 0.34 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.40 2fsf n GLN 796 Cb 0.44 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.79 2fsf n GLN 796 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2fsf n LYS 797 N 0.00 0.00 -1.49 -1.09 5.02 -1.26 -4.11 118.16 115.23 2fsf n LYS 797 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 2fsf n LYS 797 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 34.90 2fsf n LYS 797 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2fsf n ASP 798 N 0.00 0.94 -0.17 4.39 -0.08 -1.26 -4.82 116.55 115.56 2fsf n ASP 798 Ca 0.00 0.06 -0.03 0.00 -1.51 0.00 0.00 54.79 53.31 2fsf n ASP 798 Cb 0.00 -1.10 0.03 0.00 2.34 0.00 0.00 41.12 42.39 2fsf n ASP 798 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2fsf h PRO 799 N 13.68 -0.07 -7.20 -0.67 0.13 -1.93 -2.51 132.00 133.43 2fsf h PRO 799 Ca -0.12 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.52 2fsf h PRO 799 Cb 1.31 0.02 0.08 0.00 0.13 0.00 0.00 31.00 32.54 2fsf h PRO 799 CO 1.29 -0.04 0.38 -1.59 -0.23 0.00 0.00 178.00 177.80 2fsf s LYS 800 N -6.17 3.08 0.00 0.86 -2.85 -1.26 -1.65 119.74 111.75 2fsf s LYS 800 Ca -0.14 1.28 0.00 0.00 -1.00 0.00 0.00 55.97 56.11 2fsf s LYS 800 Cb 0.17 -1.99 0.00 0.00 -2.06 0.00 0.00 37.83 33.94 2fsf s LYS 800 CO 0.71 -1.01 0.00 1.04 0.10 0.00 0.00 175.35 176.19 2fsf n GLN 801 N -2.23 0.00 0.06 1.78 1.13 -1.26 -4.40 117.38 112.46 2fsf n GLN 801 Ca 0.09 0.00 0.04 0.00 -1.94 0.00 0.00 57.00 55.20 2fsf n GLN 801 Cb 0.52 0.00 0.46 0.00 0.11 0.00 0.00 30.24 31.33 2fsf n GLN 801 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 2fsf h GLU 802 N 0.00 0.40 -0.03 -1.09 4.57 -1.42 0.43 114.58 117.44 2fsf h GLU 802 Ca 0.00 -0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 58.04 2fsf h GLU 802 Cb 0.00 -0.09 0.01 0.00 -0.16 0.00 0.00 28.75 28.51 2fsf h GLU 802 CO 0.00 0.30 -0.41 -0.92 -1.18 0.00 0.00 179.01 176.80 2fsf h TYR 803 N 0.41 0.48 -0.77 0.92 5.03 -1.52 -1.65 116.97 119.86 2fsf h TYR 803 Ca 0.11 -0.24 0.18 0.00 2.58 0.00 0.00 58.73 61.36 2fsf h TYR 803 Cb 0.02 -0.06 -0.12 0.00 1.55 0.00 0.00 36.73 38.11 2fsf h TYR 803 CO 0.00 1.02 0.13 0.87 -1.32 0.00 0.00 178.16 178.86 2fsf h LYS 804 N -0.20 0.19 -0.55 1.82 1.57 -1.62 0.18 116.57 117.96 2fsf h LYS 804 Ca -0.04 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 2fsf h LYS 804 Cb 1.11 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 2fsf h LYS 804 CO 0.08 0.13 0.00 0.00 -0.57 0.00 0.00 179.45 179.10 2fsf h ARG 805 N 0.20 0.96 0.03 3.15 3.08 -0.09 -1.27 114.38 120.44 2fsf h ARG 805 Ca 0.45 -0.30 -0.23 0.00 0.07 0.00 0.00 59.98 59.96 2fsf h ARG 805 Cb 0.81 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.76 2fsf h ARG 805 CO -0.59 0.97 -0.99 0.93 -1.07 0.00 0.00 179.97 179.22 2fsf h GLU 806 N 0.84 0.30 -0.22 0.04 5.08 -1.00 -2.13 114.58 117.50 2fsf h GLU 806 Ca 0.16 -0.36 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 2fsf h GLU 806 Cb 0.53 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2fsf h GLU 806 CO 0.03 1.08 -0.02 1.03 -1.00 0.00 0.00 179.01 180.13 2fsf h SER 807 N 0.15 0.39 0.48 1.42 0.87 -0.56 -2.03 113.55 114.26 2fsf h SER 807 Ca -0.08 -0.33 -0.09 0.00 -1.23 0.00 0.00 61.79 60.06 2fsf h SER 807 Cb 1.65 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.49 2fsf h SER 807 CO 0.16 0.63 -0.45 -0.26 -0.53 0.00 0.00 176.83 176.38 2fsf h PHE 808 N 0.15 0.00 -0.31 2.24 0.04 -1.24 0.13 116.94 117.95 2fsf h PHE 808 Ca 0.06 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.72 2fsf h PHE 808 Cb 0.44 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 2fsf h PHE 808 CO 0.04 0.45 -0.22 1.03 -0.60 0.00 0.00 178.31 179.01 2fsf h SER 809 N 0.00 0.73 -0.49 2.17 0.87 -1.30 -1.33 113.55 114.20 2fsf h SER 809 Ca -0.00 -0.44 -0.12 0.00 -1.23 0.00 0.00 61.79 59.99 2fsf h SER 809 Cb 0.80 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 2fsf h SER 809 CO 0.06 1.01 -0.18 0.24 -0.53 0.00 0.00 176.83 177.43 2fsf h MET 810 N 0.45 0.99 -0.59 2.24 2.86 -1.09 0.60 114.93 120.39 2fsf h MET 810 Ca 0.06 -0.40 0.08 0.00 -2.06 0.00 0.00 59.70 57.38 2fsf h MET 810 Cb 0.77 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 32.31 2fsf h MET 810 CO 0.06 1.08 0.24 0.35 1.06 0.00 0.00 176.91 179.70 2fsf h PHE 811 N 0.87 0.42 -0.29 -0.22 3.57 -0.54 -0.57 116.94 120.18 2fsf h PHE 811 Ca 0.12 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 2fsf h PHE 811 Cb 0.75 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 2fsf h PHE 811 CO 0.05 0.13 0.03 0.00 -2.23 0.00 0.00 178.31 176.29 2fsf h ALA 812 N 1.39 0.39 -0.90 2.41 0.00 -0.93 -1.39 119.26 120.22 2fsf h ALA 812 Ca 0.29 -0.21 0.14 0.00 0.00 0.00 0.00 54.91 55.13 2fsf h ALA 812 Cb 0.32 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.92 2fsf h ALA 812 CO -0.27 0.10 0.52 0.00 0.00 0.00 0.00 179.25 179.59 2fsf h ALA 813 N 0.86 1.37 -0.54 0.00 0.00 -0.56 -2.92 119.26 117.47 2fsf h ALA 813 Ca 0.09 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 2fsf h ALA 813 Cb 0.37 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2fsf h ALA 813 CO 0.01 0.03 -0.09 1.98 0.00 0.00 0.00 179.25 181.18 2fsf h MET 814 N 0.77 1.00 -0.69 0.00 -1.53 -0.40 -1.70 114.93 112.37 2fsf h MET 814 Ca 0.47 -0.35 0.11 0.00 -3.44 0.00 0.00 59.70 56.50 2fsf h MET 814 Cb 0.59 -0.07 -0.04 0.00 -0.55 0.00 0.00 31.60 31.53 2fsf h MET 814 CO -0.32 1.03 0.46 -0.07 0.14 0.00 0.00 176.91 178.15 2fsf h LEU 815 N 0.89 0.43 0.13 3.39 3.38 -1.09 0.13 115.31 122.57 2fsf h LEU 815 Ca 0.14 0.01 -0.29 0.00 0.09 0.00 0.00 57.88 57.84 2fsf h LEU 815 Cb 0.64 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2fsf h LEU 815 CO 0.04 0.25 -1.36 -0.33 0.09 0.00 0.00 178.44 177.14 2fsf h GLU 816 N 0.47 0.28 -0.17 1.13 4.39 -1.31 -3.21 114.58 116.17 2fsf h GLU 816 Ca 0.33 -0.48 -0.10 0.00 0.34 0.00 0.00 59.36 59.44 2fsf h GLU 816 Cb 0.63 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.45 2fsf h GLU 816 CO -0.10 1.20 -0.34 0.77 -1.16 0.00 0.00 179.01 179.37 2fsf h SER 817 N 0.08 0.36 -0.29 1.42 0.02 -0.98 -2.79 113.55 111.37 2fsf h SER 817 Ca -0.18 -0.14 0.05 0.00 -0.84 0.00 0.00 61.79 60.68 2fsf h SER 817 Cb 2.00 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 64.40 2fsf h SER 817 CO 0.19 0.68 0.01 0.25 -1.14 0.00 0.00 176.83 176.83 2fsf h LEU 818 N 0.30 -0.09 0.16 5.07 5.85 -0.78 0.30 115.31 126.12 2fsf h LEU 818 Ca 0.04 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.83 2fsf h LEU 818 Cb 0.75 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 2fsf h LEU 818 CO 0.06 -0.01 -0.34 0.11 -0.34 0.00 0.00 178.44 177.92 2fsf h LYS 819 N 0.10 -0.57 -0.34 1.25 1.57 -1.53 -1.44 116.57 115.61 2fsf h LYS 819 Ca 0.14 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.00 2fsf h LYS 819 Cb 0.18 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.58 2fsf h LYS 819 CO -0.22 -0.38 0.10 -0.92 -0.57 0.00 0.00 179.45 177.46 2fsf h TYR 820 N -0.59 0.18 -0.12 -1.35 5.03 -1.20 -2.29 116.97 116.63 2fsf h TYR 820 Ca 0.02 0.02 -0.12 0.00 2.58 0.00 0.00 58.73 61.23 2fsf h TYR 820 Cb 0.61 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.84 2fsf h TYR 820 CO -0.29 0.07 -0.46 0.93 -1.32 0.00 0.00 178.16 177.09 2fsf h GLU 821 N 0.24 0.29 0.16 1.82 4.39 -0.87 -0.52 114.58 120.09 2fsf h GLU 821 Ca 0.16 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 2fsf h GLU 821 Cb 0.14 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2fsf h GLU 821 CO -0.17 0.69 -0.08 0.28 -1.16 0.00 0.00 179.01 178.57 2fsf h VAL 822 N 0.23 0.93 -0.57 3.13 2.07 -1.15 0.25 116.25 121.15 2fsf h VAL 822 Ca 0.02 -0.40 -0.10 0.00 0.82 0.00 0.00 66.70 67.03 2fsf h VAL 822 Cb 0.90 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 2fsf h VAL 822 CO 0.07 0.10 -0.03 0.40 0.02 0.00 0.00 177.57 178.13 2fsf h ILE 823 N -0.41 1.26 -0.12 4.57 1.08 -1.29 0.28 117.51 122.89 2fsf h ILE 823 Ca -0.02 -1.17 0.01 0.00 -0.39 0.00 0.00 64.86 63.29 2fsf h ILE 823 Cb 0.32 0.86 -0.01 0.00 -3.07 0.00 0.00 36.82 34.91 2fsf h ILE 823 CO 0.04 0.42 0.03 -1.28 -0.69 0.00 0.00 178.15 176.67 2fsf h SER 824 N 0.92 0.03 -0.52 1.72 0.87 -1.06 -0.66 113.55 114.85 2fsf h SER 824 Ca 0.16 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.77 2fsf h SER 824 Cb 0.58 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.51 2fsf h SER 824 CO 0.03 0.04 0.28 0.74 -0.53 0.00 0.00 176.83 177.39 2fsf h THR 825 N 0.09 0.99 0.00 2.23 2.02 0.12 -0.61 112.91 117.75 2fsf h THR 825 Ca 0.05 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 2fsf h THR 825 Cb 0.03 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 66.83 2fsf h THR 825 CO -0.06 0.10 -0.01 -0.07 0.37 0.00 0.00 175.52 175.86 2fsf h LEU 826 N 0.55 0.00 0.21 2.58 3.38 -0.42 -2.13 115.31 119.48 2fsf h LEU 826 Ca 0.22 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.88 2fsf h LEU 826 Cb 0.10 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.88 2fsf h LEU 826 CO -0.14 0.01 -1.40 0.28 0.09 0.00 0.00 178.44 177.28 2fsf h SER 827 N 0.00 0.71 0.55 -0.43 0.02 -0.55 -3.37 113.55 110.49 2fsf h SER 827 Ca -0.00 -0.76 0.00 0.00 -0.84 0.00 0.00 61.79 60.19 2fsf h SER 827 Cb 0.50 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2fsf h SER 827 CO 0.00 1.59 -0.78 0.29 -1.14 0.00 0.00 176.83 176.80 2fsf n LYS 828 N -3.66 0.20 -1.72 3.45 5.02 -0.29 -4.65 118.16 116.52 2fsf n LYS 828 Ca -0.14 0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.75 2fsf n LYS 828 Cb 1.08 -1.59 -0.01 0.00 -0.02 0.00 0.00 35.03 34.49 2fsf n LYS 828 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2fsf n VAL 829 N -1.86 1.70 -3.49 -0.18 3.14 -0.82 -4.95 118.33 111.86 2fsf n VAL 829 Ca 0.03 -0.43 -0.38 0.00 -2.96 0.00 0.00 64.34 60.60 2fsf n VAL 829 Cb 0.41 -1.70 -0.10 0.00 -1.06 0.00 0.00 33.84 31.39 2fsf n VAL 829 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 2fsf s GLN 830 N -1.51 4.02 -0.07 1.45 2.00 -1.26 -5.07 119.66 119.22 2fsf s GLN 830 Ca 0.58 -0.10 0.05 0.00 -2.00 0.00 0.00 55.36 53.89 2fsf s GLN 830 Cb -0.55 -3.63 -0.00 0.00 0.80 0.00 0.00 33.01 29.63 2fsf s GLN 830 CO 0.59 -0.17 -0.22 0.14 -0.50 0.00 0.00 175.29 175.12 2fsf s VAL 831 N 1.75 1.88 -2.00 1.34 -7.23 -1.26 -5.21 120.40 109.66 2fsf s VAL 831 Ca 0.12 -0.94 0.31 0.00 -1.81 0.00 0.00 61.98 59.65 2fsf s VAL 831 Cb -0.15 -1.61 0.87 0.00 0.56 0.00 0.00 36.38 36.04 2fsf s VAL 831 CO 0.09 0.52 2.15 -2.11 -0.31 0.00 0.00 175.10 175.45