#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fsh n ASN 14 N 0.00 0.00 -0.03 6.15 5.15 -1.26 -4.72 115.26 120.55 2fsh n ASN 14 Ca 0.00 0.00 0.15 0.00 -0.60 0.00 0.00 54.58 54.13 2fsh n ASN 14 Cb 0.00 0.00 0.85 0.00 -0.53 0.00 0.00 39.78 40.10 2fsh n ASN 14 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2fsh n ASP 15 N -2.34 0.11 -0.07 1.20 8.00 -1.26 0.56 116.55 122.75 2fsh n ASP 15 Ca 0.00 -0.76 -0.14 0.00 0.71 0.00 0.00 54.79 54.60 2fsh n ASP 15 Cb 0.00 -0.08 -0.13 0.00 -0.02 0.00 0.00 41.12 40.89 2fsh n ASP 15 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 2fsh h ARG 16 N 0.16 -0.00 -0.17 -1.24 9.65 -1.98 -1.81 114.38 118.98 2fsh h ARG 16 Ca 0.00 0.00 -0.20 0.00 -1.10 0.00 0.00 59.98 58.68 2fsh h ARG 16 Cb 0.13 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.71 2fsh h ARG 16 CO 0.00 0.95 -0.70 1.79 2.80 0.00 0.00 179.97 184.82 2fsh h THR 17 N -0.96 1.30 -0.62 0.20 1.35 -1.77 -2.53 112.91 109.88 2fsh h THR 17 Ca -0.00 -1.93 -0.01 0.00 -0.55 0.00 0.00 66.41 63.92 2fsh h THR 17 Cb 0.95 1.90 -0.03 0.00 -1.73 0.00 0.00 68.15 69.25 2fsh h THR 17 CO 0.00 0.61 0.33 -0.07 -0.25 0.00 0.00 175.52 176.14 2fsh h LEU 18 N 0.51 0.78 -1.24 3.87 3.38 -0.03 0.29 115.31 122.88 2fsh h LEU 18 Ca -0.03 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 2fsh h LEU 18 Cb 1.31 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 2fsh h LEU 18 CO 0.14 0.66 -0.37 0.08 0.09 0.00 0.00 178.44 179.04 2fsh h ARG 19 N 0.84 0.00 -0.22 1.13 0.11 -1.34 0.16 114.38 115.06 2fsh h ARG 19 Ca 0.22 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 60.13 2fsh h ARG 19 Cb 0.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.14 2fsh h ARG 19 CO -0.03 0.37 -0.51 -0.09 0.10 0.00 0.00 179.97 179.82 2fsh h ARG 20 N 0.00 0.73 -0.28 0.08 2.43 -1.17 -3.05 114.38 113.11 2fsh h ARG 20 Ca -0.00 -0.49 -0.09 0.00 -0.81 0.00 0.00 59.98 58.58 2fsh h ARG 20 Cb 0.69 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 2fsh h ARG 20 CO 0.05 1.11 -0.22 0.52 -1.51 0.00 0.00 179.97 179.92 2fsh h MET 21 N 0.45 0.52 -0.70 0.20 2.86 0.13 -2.94 114.93 115.46 2fsh h MET 21 Ca -0.00 -0.19 0.01 0.00 -2.06 0.00 0.00 59.70 57.46 2fsh h MET 21 Cb 1.12 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.71 2fsh h MET 21 CO 0.11 0.71 0.46 0.00 1.06 0.00 0.00 176.91 179.25 2fsh h ARG 22 N 0.47 0.91 -0.94 1.72 3.08 -0.72 -1.42 114.38 117.48 2fsh h ARG 22 Ca 0.07 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.11 2fsh h ARG 22 Cb 0.64 -0.21 -0.06 0.00 0.08 0.00 0.00 29.97 30.43 2fsh h ARG 22 CO 0.05 0.60 0.61 0.87 -1.07 0.00 0.00 179.97 181.03 2fsh h LYS 23 N 0.94 1.12 -0.45 0.04 1.57 -1.40 -2.14 116.57 116.24 2fsh h LYS 23 Ca 0.26 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.85 2fsh h LYS 23 Cb -0.10 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 31.94 2fsh h LYS 23 CO -0.06 0.74 -0.18 0.28 -0.57 0.00 0.00 179.45 179.66 2fsh h VAL 24 N 1.15 1.27 -0.39 0.50 2.07 -1.32 -2.81 116.25 116.72 2fsh h VAL 24 Ca 0.38 -1.31 0.01 0.00 0.82 0.00 0.00 66.70 66.60 2fsh h VAL 24 Cb 0.06 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 2fsh h VAL 24 CO -0.14 0.45 0.24 0.58 0.02 0.00 0.00 177.57 178.72 2fsh h VAL 25 N 0.78 1.06 -0.97 2.57 2.07 -0.73 0.22 116.25 121.24 2fsh h VAL 25 Ca 0.11 -0.17 0.17 0.00 0.82 0.00 0.00 66.70 67.63 2fsh h VAL 25 Cb 0.72 0.53 -0.10 0.00 -1.52 0.00 0.00 31.29 30.92 2fsh h VAL 25 CO 0.06 0.09 0.58 0.78 0.02 0.00 0.00 177.57 179.09 2fsh h ASN 26 N 0.49 0.75 -0.36 0.57 2.35 -1.31 0.49 115.58 118.56 2fsh h ASN 26 Ca 0.15 0.09 -0.16 0.00 -0.55 0.00 0.00 56.30 55.82 2fsh h ASN 26 Cb -0.02 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 2fsh h ASN 26 CO -0.06 0.30 -0.42 0.40 -1.65 0.00 0.00 177.43 176.01 2fsh h ILE 27 N 0.77 1.27 0.12 2.81 2.04 -1.03 0.45 117.51 123.95 2fsh h ILE 27 Ca 0.54 -1.59 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 2fsh h ILE 27 Cb 0.77 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 2fsh h ILE 27 CO -0.36 0.53 -0.06 0.40 0.00 0.00 0.00 178.15 178.66 2fsh h ILE 28 N 0.73 0.91 -0.25 -0.67 2.04 -0.14 -2.19 117.51 117.94 2fsh h ILE 28 Ca 0.05 -0.10 0.06 0.00 1.00 0.00 0.00 64.86 65.87 2fsh h ILE 28 Cb 1.02 0.98 -0.07 0.00 -0.74 0.00 0.00 36.82 38.00 2fsh h ILE 28 CO 0.10 0.03 -0.30 0.78 0.00 0.00 0.00 178.15 178.75 2fsh h ASN 29 N -0.21 -0.97 -0.09 1.72 2.35 0.01 -1.30 115.58 117.10 2fsh h ASN 29 Ca -0.02 0.16 0.03 0.00 -0.55 0.00 0.00 56.30 55.92 2fsh h ASN 29 Cb 0.16 0.44 -0.00 0.00 0.05 0.00 0.00 38.32 38.97 2fsh h ASN 29 CO 0.03 -0.33 0.40 0.00 -1.65 0.00 0.00 177.43 175.88 2fsh h ALA 30 N 0.63 1.54 -0.00 -0.83 0.00 0.10 -2.47 119.26 118.23 2fsh h ALA 30 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2fsh h ALA 30 Cb 0.52 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2fsh h ALA 30 CO -0.42 -0.45 -0.55 -1.33 0.00 0.00 0.00 179.25 176.50 2fsh n MET 31 N -3.03 0.09 -0.14 0.00 2.81 -0.50 -4.53 117.12 111.82 2fsh n MET 31 Ca 0.00 -0.06 -0.07 0.00 -1.81 0.00 0.00 57.70 55.77 2fsh n MET 31 Cb 0.47 -1.50 0.02 0.00 -0.71 0.00 0.00 33.22 31.50 2fsh n MET 31 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 2fsh h GLU 32 N 0.14 0.50 -0.33 0.03 4.81 -1.37 -2.05 114.58 116.31 2fsh h GLU 32 Ca 0.00 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.27 2fsh h GLU 32 Cb 0.50 -0.11 -0.08 0.00 0.63 0.00 0.00 28.75 29.69 2fsh h GLU 32 CO 0.00 0.33 -0.27 -1.35 -0.73 0.00 0.00 179.01 176.99 2fsh h PRO 33 N 0.51 -0.23 -0.77 0.92 0.11 -1.82 0.26 132.00 130.98 2fsh h PRO 33 Ca 0.18 0.02 0.17 0.00 0.11 0.00 0.00 66.00 66.47 2fsh h PRO 33 Cb 0.02 0.05 -0.14 0.00 0.11 0.00 0.00 31.00 31.04 2fsh h PRO 33 CO -0.08 -0.15 -0.05 1.49 -0.21 0.00 0.00 178.00 179.00 2fsh h GLU 34 N -0.24 0.06 0.00 1.05 4.81 -1.75 -2.63 114.58 115.89 2fsh h GLU 34 Ca 0.16 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.28 2fsh h GLU 34 Cb 0.49 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 2fsh h GLU 34 CO -0.46 0.04 -0.52 0.52 -0.73 0.00 0.00 179.01 177.86 2fsh h MET 35 N 0.07 0.00 -0.12 1.92 2.86 -0.24 -3.09 114.93 116.32 2fsh h MET 35 Ca 0.41 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.96 2fsh h MET 35 Cb 0.72 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 2fsh h MET 35 CO -0.72 0.52 -0.34 0.93 1.06 0.00 0.00 176.91 178.36 2fsh h GLU 36 N 0.00 0.25 0.00 1.72 5.08 -0.23 -2.83 114.58 118.58 2fsh h GLU 36 Ca -0.01 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 2fsh h GLU 36 Cb 1.21 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2fsh h GLU 36 CO 0.07 0.57 -0.24 0.87 -1.00 0.00 0.00 179.01 179.28 2fsh h LYS 37 N 0.22 0.00 -6.74 2.33 6.56 -1.44 -3.46 116.57 114.03 2fsh h LYS 37 Ca 0.03 0.00 -0.52 0.00 -1.06 0.00 0.00 60.65 59.10 2fsh h LYS 37 Cb 0.71 0.00 0.03 0.00 -0.57 0.00 0.00 32.23 32.40 2fsh h LYS 37 CO 0.05 0.24 0.59 -0.51 -2.06 0.00 0.00 179.45 177.76 2fsh s LEU 38 N -7.32 4.46 0.59 2.94 1.02 -1.07 -5.01 118.68 114.29 2fsh s LEU 38 Ca -0.02 2.39 -0.18 0.00 0.02 0.00 0.00 54.13 56.34 2fsh s LEU 38 Cb 0.12 -3.62 -0.04 0.00 0.02 0.00 0.00 46.19 42.68 2fsh s LEU 38 CO 0.64 -0.41 1.16 -0.94 0.02 0.00 0.00 176.35 176.82 2fsh s SER 39 N -0.14 5.37 0.28 2.29 1.04 -1.26 -4.78 113.70 116.50 2fsh s SER 39 Ca 0.51 2.23 -0.06 0.00 0.48 0.00 0.00 55.95 59.11 2fsh s SER 39 Cb -0.35 -2.58 0.52 0.00 0.10 0.00 0.00 66.02 63.70 2fsh s SER 39 CO 0.41 -1.46 1.55 0.47 0.98 0.00 0.00 173.24 175.19 2fsh n ASP 40 N -1.64 -0.31 0.12 7.02 8.00 -1.26 0.30 116.55 128.78 2fsh n ASP 40 Ca 0.12 1.70 -0.03 0.00 0.71 0.00 0.00 54.79 57.30 2fsh n ASP 40 Cb 0.51 -0.54 0.10 0.00 -0.02 0.00 0.00 41.12 41.18 2fsh n ASP 40 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2fsh h GLU 41 N 0.00 0.00 -0.42 -1.24 4.57 -1.93 -0.34 114.58 115.23 2fsh h GLU 41 Ca 0.50 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.58 2fsh h GLU 41 Cb 0.83 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.40 2fsh h GLU 41 CO -1.00 0.70 -0.15 0.93 -1.18 0.00 0.00 179.01 178.31 2fsh h GLU 42 N 0.00 0.78 -0.44 1.92 5.08 -1.33 -1.70 114.58 118.89 2fsh h GLU 42 Ca -0.01 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 2fsh h GLU 42 Cb 1.25 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 2fsh h GLU 42 CO 0.09 0.89 0.21 -0.07 -1.00 0.00 0.00 179.01 179.13 2fsh h LEU 43 N 0.70 0.58 -0.66 1.33 3.38 0.22 -2.86 115.31 118.00 2fsh h LEU 43 Ca 0.11 -0.13 0.13 0.00 0.09 0.00 0.00 57.88 58.08 2fsh h LEU 43 Cb 0.65 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.16 2fsh h LEU 43 CO 0.05 0.54 0.19 0.50 0.09 0.00 0.00 178.44 179.81 2fsh h LYS 44 N 0.57 0.31 0.00 1.13 3.64 -0.89 -2.47 116.57 118.85 2fsh h LYS 44 Ca 0.15 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 2fsh h LYS 44 Cb 0.12 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2fsh h LYS 44 CO -0.02 0.21 -0.08 0.78 -2.27 0.00 0.00 179.45 178.07 2fsh h GLY 45 N 0.32 0.00 0.38 5.01 0.00 -1.09 -2.99 103.07 104.70 2fsh h GLY 45 Ca 0.35 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.81 2fsh h GLY 45 CO -0.41 0.00 0.54 0.50 0.00 0.00 0.00 176.54 177.17 2fsh h LYS 46 N 0.00 0.80 -0.44 4.80 1.79 -1.27 -1.77 116.57 120.49 2fsh h LYS 46 Ca -0.00 -0.05 0.06 0.00 -2.18 0.00 0.00 60.65 58.48 2fsh h LYS 46 Cb 0.41 -0.18 -0.05 0.00 -1.58 0.00 0.00 32.23 30.82 2fsh h LYS 46 CO 0.01 0.53 0.12 1.15 -1.08 0.00 0.00 179.45 180.18 2fsh h THR 47 N 0.82 0.81 -0.52 -0.16 2.02 -1.69 0.29 112.91 114.49 2fsh h THR 47 Ca 0.47 -0.09 -0.04 0.00 0.77 0.00 0.00 66.41 67.52 2fsh h THR 47 Cb 0.55 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 2fsh h THR 47 CO -0.30 0.05 0.15 0.00 0.37 0.00 0.00 175.52 175.79 2fsh h ALA 48 N 1.31 1.28 0.08 6.16 0.00 -1.55 -1.49 119.26 125.05 2fsh h ALA 48 Ca 0.21 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2fsh h ALA 48 Cb 0.24 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2fsh h ALA 48 CO -0.25 0.51 -0.04 1.49 0.00 0.00 0.00 179.25 180.97 2fsh h GLU 49 N 0.76 -0.11 -0.56 0.00 4.81 -0.42 -1.04 114.58 118.02 2fsh h GLU 49 Ca 0.17 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.52 2fsh h GLU 49 Cb 0.25 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.56 2fsh h GLU 49 CO -0.01 0.18 0.07 0.74 -0.73 0.00 0.00 179.01 179.26 2fsh h PHE 50 N -0.40 0.09 -0.62 0.92 0.04 -0.39 -1.71 116.94 114.88 2fsh h PHE 50 Ca -0.01 0.04 -0.05 0.00 2.80 0.00 0.00 57.97 60.74 2fsh h PHE 50 Cb 0.34 0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.51 2fsh h PHE 50 CO 0.02 -0.08 0.17 0.00 -0.60 0.00 0.00 178.31 177.83 2fsh h ARG 51 N 0.19 0.97 -0.69 1.51 3.08 -1.15 -0.54 114.38 117.75 2fsh h ARG 51 Ca 0.29 -0.22 0.12 0.00 0.07 0.00 0.00 59.98 60.24 2fsh h ARG 51 Cb 0.44 -0.13 -0.09 0.00 0.08 0.00 0.00 29.97 30.27 2fsh h ARG 51 CO -0.42 0.87 0.26 0.00 -1.07 0.00 0.00 179.97 179.61 2fsh h ALA 52 N 1.06 0.93 -0.54 0.04 0.00 -0.96 0.81 119.26 120.59 2fsh h ALA 52 Ca 0.20 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 2fsh h ALA 52 Cb 0.32 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2fsh h ALA 52 CO -0.00 -0.21 -0.09 0.00 0.00 0.00 0.00 179.25 178.95 2fsh h ARG 53 N 0.42 1.02 -0.82 0.00 3.08 -0.73 -0.63 114.38 116.72 2fsh h ARG 53 Ca 0.37 -0.37 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 2fsh h ARG 53 Cb 0.52 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.46 2fsh h ARG 53 CO -0.37 1.06 0.36 -0.07 -1.07 0.00 0.00 179.97 179.88 2fsh h LEU 54 N 0.90 1.11 -1.02 3.04 3.38 -0.83 -1.07 115.31 120.81 2fsh h LEU 54 Ca 0.14 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2fsh h LEU 54 Cb 0.66 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2fsh h LEU 54 CO 0.05 0.96 0.20 -0.08 0.09 0.00 0.00 178.44 179.65 2fsh h GLU 55 N 1.19 0.90 0.00 1.13 4.22 -0.43 -0.53 114.58 121.06 2fsh h GLU 55 Ca 0.28 -0.16 0.00 0.00 0.08 0.00 0.00 59.36 59.55 2fsh h GLU 55 Cb 0.17 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2fsh h GLU 55 CO -0.03 0.77 0.00 1.63 -2.18 0.00 0.00 179.01 179.20 2fsh n LYS 56 N -4.29 0.85 0.00 1.92 4.01 -0.28 -4.86 118.16 115.51 2fsh n LYS 56 Ca 0.05 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.85 2fsh n LYS 56 Cb 0.20 -1.42 0.00 0.00 -0.51 0.00 0.00 35.03 33.30 2fsh n LYS 56 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2fsh n GLY 57 N 0.64 1.14 3.77 0.72 0.00 -0.21 -5.06 105.19 106.19 2fsh n GLY 57 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 2fsh n GLY 57 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2fsh s GLU 58 N -0.61 3.59 -0.09 1.61 2.56 -0.46 -4.99 118.70 120.31 2fsh s GLU 58 Ca 0.00 1.72 -0.26 0.00 0.00 0.00 0.00 54.97 56.43 2fsh s GLU 58 Cb 0.00 -2.25 -0.02 0.00 2.00 0.00 0.00 34.13 33.85 2fsh s GLU 58 CO 0.00 -0.68 0.85 0.08 -0.56 0.00 0.00 175.26 174.95 2fsh s VAL 59 N -1.62 4.92 0.26 3.70 1.01 -1.26 -4.62 120.40 122.79 2fsh s VAL 59 Ca 0.67 1.72 -0.02 0.00 0.00 0.00 0.00 61.98 64.36 2fsh s VAL 59 Cb -0.27 -4.17 0.26 0.00 0.00 0.00 0.00 36.38 32.20 2fsh s VAL 59 CO 0.32 0.12 1.68 0.25 0.00 0.00 0.00 175.10 177.47 2fsh h LEU 60 N 7.48 0.09 -2.21 3.92 5.85 -1.99 0.20 115.31 128.66 2fsh h LEU 60 Ca -0.36 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 2fsh h LEU 60 Cb 1.17 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.39 2fsh h LEU 60 CO 0.80 -0.04 -0.06 -0.33 -0.34 0.00 0.00 178.44 178.46 2fsh h GLU 61 N 0.30 0.00 0.00 1.25 3.07 -2.00 0.11 114.58 117.31 2fsh h GLU 61 Ca 0.47 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.31 2fsh h GLU 61 Cb 0.85 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.75 2fsh h GLU 61 CO -0.54 0.06 -0.10 -0.91 -1.40 0.00 0.00 179.01 176.13 2fsh h ASN 62 N 0.00 0.00 0.71 1.42 2.35 -0.99 -2.77 115.58 116.30 2fsh h ASN 62 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2fsh h ASN 62 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 2fsh h ASN 62 CO 0.01 0.10 -0.11 0.18 -1.65 0.00 0.00 177.43 175.95 2fsh n LEU 63 N -3.55 0.18 0.07 1.61 4.77 0.37 -4.44 117.00 116.01 2fsh n LEU 63 Ca -0.02 0.28 -0.12 0.00 -0.03 0.00 0.00 56.01 56.12 2fsh n LEU 63 Cb 0.23 -0.36 -0.06 0.00 -2.33 0.00 0.00 43.42 40.89 2fsh n LEU 63 CO 0.29 0.04 0.83 0.40 -1.33 0.00 0.00 177.39 177.62 2fsh h ILE 64 N 0.11 0.86 -0.01 -0.08 2.04 -1.54 0.40 117.51 119.28 2fsh h ILE 64 Ca 0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 2fsh h ILE 64 Cb 0.44 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 2fsh h ILE 64 CO 0.00 0.00 -0.13 -0.65 0.00 0.00 0.00 178.15 177.37 2fsh h PRO 65 N -0.14 -0.20 -0.46 2.37 0.11 -1.82 0.23 132.00 132.09 2fsh h PRO 65 Ca 0.01 0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.07 2fsh h PRO 65 Cb 0.13 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.27 2fsh h PRO 65 CO -0.02 -0.14 0.06 0.93 -0.21 0.00 0.00 178.00 178.62 2fsh h GLU 66 N -0.21 0.77 0.11 1.05 5.08 -1.79 -1.55 114.58 118.04 2fsh h GLU 66 Ca 0.05 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 2fsh h GLU 66 Cb 0.27 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2fsh h GLU 66 CO -0.13 0.80 -0.05 0.00 -1.00 0.00 0.00 179.01 178.63 2fsh h ALA 67 N 0.94 -0.14 -0.71 3.43 0.00 0.26 -1.05 119.26 122.00 2fsh h ALA 67 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2fsh h ALA 67 Cb 0.41 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2fsh h ALA 67 CO 0.01 -0.58 0.41 0.74 0.00 0.00 0.00 179.25 179.84 2fsh h PHE 68 N -0.15 0.94 -0.80 0.00 -1.00 -0.57 -0.83 116.94 114.53 2fsh h PHE 68 Ca -0.01 -0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.74 2fsh h PHE 68 Cb 0.12 -0.31 -0.04 0.00 3.61 0.00 0.00 35.95 39.33 2fsh h PHE 68 CO -0.07 0.64 0.44 0.00 -1.61 0.00 0.00 178.31 177.71 2fsh h ALA 69 N 1.47 1.25 0.02 2.45 0.00 -1.03 -1.15 119.26 122.27 2fsh h ALA 69 Ca 0.25 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2fsh h ALA 69 Cb -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.46 2fsh h ALA 69 CO -0.04 0.60 -0.01 0.28 0.00 0.00 0.00 179.25 180.08 2fsh h VAL 70 N 1.12 1.24 -0.72 0.00 2.07 -0.84 -2.15 116.25 116.98 2fsh h VAL 70 Ca 0.28 -0.79 0.03 0.00 0.82 0.00 0.00 66.70 67.05 2fsh h VAL 70 Cb 0.03 1.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 2fsh h VAL 70 CO -0.05 0.20 0.46 0.58 0.02 0.00 0.00 177.57 178.78 2fsh h VAL 71 N -0.36 1.10 -0.29 2.57 2.07 -0.99 -1.16 116.25 119.19 2fsh h VAL 71 Ca -0.00 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 2fsh h VAL 71 Cb 0.35 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 2fsh h VAL 71 CO 0.00 0.16 -0.10 -0.09 0.02 0.00 0.00 177.57 177.57 2fsh h ARG 72 N 0.89 0.47 0.05 1.57 2.43 -1.14 -0.33 114.38 118.32 2fsh h ARG 72 Ca 0.29 -0.12 -0.23 0.00 -0.81 0.00 0.00 59.98 59.10 2fsh h ARG 72 Cb 0.02 -0.06 0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2fsh h ARG 72 CO -0.11 0.58 -0.93 1.49 -1.51 0.00 0.00 179.97 179.48 2fsh h GLU 73 N 0.44 0.55 -0.69 0.20 4.57 -1.01 -2.49 114.58 116.15 2fsh h GLU 73 Ca 0.09 -0.65 0.09 0.00 -1.18 0.00 0.00 59.36 57.70 2fsh h GLU 73 Cb 0.44 0.20 -0.07 0.00 -0.16 0.00 0.00 28.75 29.16 2fsh h GLU 73 CO 0.02 1.26 0.33 0.00 -1.18 0.00 0.00 179.01 179.45 2fsh h ALA 74 N 0.31 0.93 0.02 2.92 0.00 -1.03 -1.40 119.26 121.01 2fsh h ALA 74 Ca -0.13 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2fsh h ALA 74 Cb 1.63 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.39 2fsh h ALA 74 CO 0.18 -0.08 -0.01 1.03 0.00 0.00 0.00 179.25 180.38 2fsh h SER 75 N 0.56 -0.02 -0.74 0.00 0.87 -1.07 -0.01 113.55 113.15 2fsh h SER 75 Ca 0.34 -0.17 0.14 0.00 -1.23 0.00 0.00 61.79 60.87 2fsh h SER 75 Cb 0.36 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 62.19 2fsh h SER 75 CO -0.27 0.16 -0.24 0.11 -0.53 0.00 0.00 176.83 176.06 2fsh h LYS 76 N -0.20 -0.04 -0.21 2.24 1.57 -0.90 1.52 116.57 120.55 2fsh h LYS 76 Ca -0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 2fsh h LYS 76 Cb 0.19 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.51 2fsh h LYS 76 CO 0.00 -0.03 -0.68 0.00 -0.57 0.00 0.00 179.45 178.18 2fsh h ARG 77 N -0.04 0.82 0.01 3.15 3.08 -1.05 -1.58 114.38 118.76 2fsh h ARG 77 Ca 0.33 -0.60 -0.10 0.00 0.07 0.00 0.00 59.98 59.69 2fsh h ARG 77 Cb 0.56 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 2fsh h ARG 77 CO -0.78 1.22 -0.53 0.28 -1.07 0.00 0.00 179.97 179.09 2fsh h VAL 78 N 0.59 1.44 0.00 2.04 2.07 -0.30 -3.39 116.25 118.69 2fsh h VAL 78 Ca -0.02 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.21 2fsh h VAL 78 Cb 1.30 2.93 0.00 0.00 -1.52 0.00 0.00 31.29 33.99 2fsh h VAL 78 CO 0.14 0.50 -1.55 0.49 0.02 0.00 0.00 177.57 177.17 2fsh n PHE 79 N -4.52 0.06 -1.75 1.57 3.72 0.51 -4.96 117.46 112.09 2fsh n PHE 79 Ca -0.19 0.02 -0.10 0.00 -0.05 0.00 0.00 57.45 57.13 2fsh n PHE 79 Cb 0.57 -0.35 -0.02 0.00 -0.94 0.00 0.00 39.48 38.74 2fsh n PHE 79 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2fsh n GLY 80 N 1.34 0.52 2.94 1.37 0.00 -0.59 -4.96 105.19 105.80 2fsh n GLY 80 Ca -0.01 -0.54 -0.24 0.00 0.00 0.00 0.00 46.02 45.24 2fsh n GLY 80 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2fsh s MET 81 N -3.69 1.33 -0.30 1.61 -1.94 -1.20 -4.91 119.30 110.20 2fsh s MET 81 Ca 0.00 -0.25 -0.09 0.00 -1.71 0.00 0.00 55.69 53.65 2fsh s MET 81 Cb 0.00 -1.26 -0.00 0.00 2.01 0.00 0.00 34.83 35.58 2fsh s MET 81 CO 0.00 -0.10 0.12 0.50 -0.01 0.00 0.00 175.02 175.53 2fsh s ARG 82 N 1.10 3.27 0.20 2.03 3.52 -1.26 -1.93 118.95 125.87 2fsh s ARG 82 Ca -0.07 -0.75 -0.32 0.00 -0.13 0.00 0.00 55.73 54.46 2fsh s ARG 82 Cb -0.14 -3.49 -0.15 0.00 -1.56 0.00 0.00 34.95 29.61 2fsh s ARG 82 CO -0.01 -0.41 1.20 0.72 -0.81 0.00 0.00 175.30 175.98 2fsh n HIS 83 N 4.94 1.48 -1.66 5.12 8.25 -1.26 -4.96 115.22 127.12 2fsh n HIS 83 Ca -0.14 0.63 -0.31 0.00 -0.26 0.00 0.00 57.72 57.64 2fsh n HIS 83 Cb 0.49 -2.31 0.05 0.00 1.12 0.00 0.00 29.99 29.33 2fsh n HIS 83 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2fsh s PHE 84 N -0.26 3.19 0.26 4.41 0.08 -1.26 -4.89 117.98 119.52 2fsh s PHE 84 Ca 0.70 1.30 -0.01 0.00 0.12 0.00 0.00 56.93 59.04 2fsh s PHE 84 Cb -0.79 -2.91 0.54 0.00 -0.57 0.00 0.00 43.02 39.28 2fsh s PHE 84 CO 0.52 -1.21 1.74 -0.44 -0.10 0.00 0.00 175.22 175.73 2fsh h ASP 85 N -0.70 0.43 0.55 1.36 3.32 -2.00 0.27 116.42 119.65 2fsh h ASP 85 Ca -0.45 0.10 -0.05 0.00 0.02 0.00 0.00 57.03 56.65 2fsh h ASP 85 Cb 1.22 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.81 2fsh h ASP 85 CO 0.59 0.16 -0.26 -0.37 -1.72 0.00 0.00 179.24 177.64 2fsh h VAL 86 N 0.54 0.83 -0.04 -1.35 -1.51 -1.93 -0.66 116.25 112.13 2fsh h VAL 86 Ca 0.46 -1.03 -0.14 0.00 -1.23 0.00 0.00 66.70 64.75 2fsh h VAL 86 Cb 0.70 1.62 -0.01 0.00 -2.13 0.00 0.00 31.29 31.47 2fsh h VAL 86 CO -0.40 0.25 -0.63 1.56 -1.23 0.00 0.00 177.57 177.13 2fsh h GLN 87 N 0.00 0.14 -0.31 5.19 4.20 -1.35 -1.51 115.11 121.48 2fsh h GLN 87 Ca -0.00 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 2fsh h GLN 87 Cb 0.60 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 2fsh h GLN 87 CO 0.03 0.73 0.13 -0.07 -0.67 0.00 0.00 178.83 178.98 2fsh h LEU 88 N 0.10 0.42 -1.13 1.46 3.38 0.05 -0.62 115.31 118.98 2fsh h LEU 88 Ca -0.01 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.84 2fsh h LEU 88 Cb 1.14 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.73 2fsh h LEU 88 CO 0.09 0.45 0.59 -0.07 0.09 0.00 0.00 178.44 179.60 2fsh h LEU 89 N 0.35 0.99 -0.37 1.67 3.38 -1.20 -1.60 115.31 118.52 2fsh h LEU 89 Ca 0.10 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2fsh h LEU 89 Cb 0.16 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2fsh h LEU 89 CO -0.01 0.69 0.07 1.23 0.09 0.00 0.00 178.44 180.51 2fsh h GLY 90 N 1.15 0.66 1.96 0.83 0.00 -0.85 -1.57 103.07 105.24 2fsh h GLY 90 Ca 0.35 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 47.18 2fsh h GLY 90 CO -0.10 0.40 -0.28 -1.33 0.00 0.00 0.00 176.54 175.23 2fsh h GLY 91 N 0.46 0.06 1.49 4.60 0.00 -0.29 -1.87 103.07 107.52 2fsh h GLY 91 Ca 0.11 -0.04 -0.15 0.00 0.00 0.00 0.00 47.33 47.25 2fsh h GLY 91 CO 0.01 0.04 -0.52 -0.33 0.00 0.00 0.00 176.54 175.73 2fsh h MET 92 N 0.05 0.54 -0.35 4.80 2.86 -0.84 -2.90 114.93 119.08 2fsh h MET 92 Ca 0.01 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 57.31 2fsh h MET 92 Cb 0.53 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 2fsh h MET 92 CO 0.04 0.93 0.16 0.28 1.06 0.00 0.00 176.91 179.38 2fsh h VAL 93 N 0.42 1.17 0.00 -2.22 2.07 -0.75 -2.37 116.25 114.57 2fsh h VAL 93 Ca 0.01 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2fsh h VAL 93 Cb 1.05 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 2fsh h VAL 93 CO 0.10 0.18 0.00 0.18 0.02 0.00 0.00 177.57 178.05 2fsh n LEU 94 N -4.73 0.00 0.19 2.57 4.77 -0.75 -1.08 117.00 117.97 2fsh n LEU 94 Ca -0.01 0.50 0.12 0.00 -0.03 0.00 0.00 56.01 56.59 2fsh n LEU 94 Cb 0.11 -0.50 0.15 0.00 -2.33 0.00 0.00 43.42 40.86 2fsh n LEU 94 CO 0.36 -0.23 0.67 -1.13 -1.33 0.00 0.00 177.39 175.73 2fsh h ASN 95 N 0.00 0.00 -1.51 -1.43 -1.24 -1.22 -3.44 115.58 106.74 2fsh h ASN 95 Ca 0.00 -0.00 -0.47 0.00 0.71 0.00 0.00 56.30 56.54 2fsh h ASN 95 Cb 0.27 0.00 0.05 0.00 0.73 0.00 0.00 38.32 39.37 2fsh h ASN 95 CO 0.00 0.00 -0.03 -1.61 -1.29 0.00 0.00 177.43 174.50 2fsh s GLU 96 N -3.23 2.12 -1.33 6.67 0.41 -0.24 -4.97 118.70 118.13 2fsh s GLU 96 Ca 0.06 -1.33 -0.15 0.00 -0.41 0.00 0.00 54.97 53.13 2fsh s GLU 96 Cb 0.06 -2.52 0.09 0.00 -1.78 0.00 0.00 34.13 29.98 2fsh s GLU 96 CO 0.69 -1.03 1.84 -2.13 -0.49 0.00 0.00 175.26 174.14 2fsh n ARG 97 N -2.45 3.17 -4.03 1.61 0.63 -1.26 -4.61 116.66 109.72 2fsh n ARG 97 Ca 0.14 -3.20 -0.08 0.00 -0.92 0.00 0.00 57.85 53.79 2fsh n ARG 97 Cb 0.61 -3.32 -0.10 0.00 0.45 0.00 0.00 32.46 30.09 2fsh n ARG 97 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2fsh s ILE 99 N -2.97 5.13 -0.41 0.00 -1.09 0.17 -1.44 121.20 120.59 2fsh s ILE 99 Ca -0.02 0.75 -0.22 0.00 -2.23 0.00 0.00 60.65 58.93 2fsh s ILE 99 Cb 0.01 -3.77 0.02 0.00 -1.58 0.00 0.00 42.46 37.14 2fsh s ILE 99 CO -0.06 0.14 0.73 0.00 -1.23 0.00 0.00 174.94 174.52 2fsh s ALA 100 N 2.05 3.36 -0.47 9.38 0.00 -0.32 0.00 121.76 135.77 2fsh s ALA 100 Ca 0.19 -0.94 -0.28 0.00 0.00 0.00 0.00 51.96 50.92 2fsh s ALA 100 Cb -0.16 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.61 2fsh s ALA 100 CO 0.09 -1.71 1.44 -1.21 0.00 0.00 0.00 175.76 174.37 2fsh s GLU 101 N 3.07 3.43 -0.15 0.00 2.02 -0.12 -2.58 118.70 124.37 2fsh s GLU 101 Ca 0.28 0.76 0.01 0.00 0.02 0.00 0.00 54.97 56.04 2fsh s GLU 101 Cb -0.13 -4.08 0.02 0.00 0.10 0.00 0.00 34.13 30.04 2fsh s GLU 101 CO 0.19 -1.75 -0.17 -1.64 0.02 0.00 0.00 175.26 171.91 2fsh s MET 102 N 5.24 2.58 0.74 1.61 -1.94 -0.12 -0.56 119.30 126.85 2fsh s MET 102 Ca 0.59 -0.67 -0.15 0.00 -1.71 0.00 0.00 55.69 53.74 2fsh s MET 102 Cb -0.13 -2.25 0.01 0.00 2.01 0.00 0.00 34.83 34.48 2fsh s MET 102 CO 0.30 -0.17 0.90 -2.13 -0.01 0.00 0.00 175.02 173.90 2fsh n ARG 103 N 4.55 0.39 -1.75 2.03 0.63 -1.26 -3.69 116.66 117.56 2fsh n ARG 103 Ca -0.19 0.19 -0.41 0.00 -0.92 0.00 0.00 57.85 56.52 2fsh n ARG 103 Cb 0.50 -2.17 0.00 0.00 0.45 0.00 0.00 32.46 31.25 2fsh n ARG 103 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 2fsh n THR 104 N -2.64 2.17 -0.71 5.15 -1.04 -1.26 -2.13 114.28 113.82 2fsh n THR 104 Ca 0.12 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.63 2fsh n THR 104 Cb 0.50 -1.81 0.00 0.00 -1.82 0.00 0.00 70.33 67.19 2fsh n THR 104 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2fsh n GLY 105 N 0.59 0.74 0.59 3.41 0.00 -1.26 -4.68 105.19 104.57 2fsh n GLY 105 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 2fsh n GLY 105 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2fsh n GLU 106 N -2.40 1.74 -2.15 1.61 -0.58 -0.90 -4.84 120.64 113.11 2fsh n GLU 106 Ca 0.00 -1.19 0.00 0.00 -0.42 0.00 0.00 57.16 55.55 2fsh n GLU 106 Cb 0.00 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 2fsh n GLU 106 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2fsh n GLY 107 N 1.25 0.64 0.39 0.62 0.00 -1.26 -4.91 105.19 101.92 2fsh n GLY 107 Ca 0.16 -0.55 0.18 0.00 0.00 0.00 0.00 46.02 45.82 2fsh n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fsh h LYS 108 N 0.00 0.28 -0.14 1.61 1.57 -1.92 -1.42 116.57 116.55 2fsh h LYS 108 Ca 0.00 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2fsh h LYS 108 Cb 0.98 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.23 2fsh h LYS 108 CO 0.00 0.18 -0.01 1.15 -0.57 0.00 0.00 179.45 180.21 2fsh h THR 109 N 0.29 1.26 -0.55 -0.16 2.02 -1.98 -2.09 112.91 111.70 2fsh h THR 109 Ca 0.36 -0.87 -0.12 0.00 0.77 0.00 0.00 66.41 66.56 2fsh h THR 109 Cb 1.01 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.96 2fsh h THR 109 CO -0.09 0.25 -0.11 0.25 0.37 0.00 0.00 175.52 176.19 2fsh h LEU 110 N -0.02 1.04 -1.16 2.58 5.85 -1.90 -2.76 115.31 118.94 2fsh h LEU 110 Ca 0.04 -0.35 0.11 0.00 0.84 0.00 0.00 57.88 58.52 2fsh h LEU 110 Cb 0.39 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.07 2fsh h LEU 110 CO 0.01 1.15 0.59 0.74 -0.34 0.00 0.00 178.44 180.59 2fsh h THR 111 N 0.92 0.94 0.00 1.05 2.02 -1.16 -2.46 112.91 114.22 2fsh h THR 111 Ca 0.14 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 67.01 2fsh h THR 111 Cb 0.68 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 2fsh h THR 111 CO 0.05 0.16 0.00 0.00 0.37 0.00 0.00 175.52 176.10 2fsh h ALA 112 N 1.55 1.00 0.00 6.16 0.00 -1.07 -1.59 119.26 125.32 2fsh h ALA 112 Ca 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.31 2fsh h ALA 112 Cb 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2fsh h ALA 112 CO -0.20 0.00 -0.17 1.79 0.00 0.00 0.00 179.25 180.67 2fsh h THR 113 N 0.00 0.91 0.52 0.00 1.35 -1.48 -2.68 112.91 111.53 2fsh h THR 113 Ca 0.00 -0.62 -0.03 0.00 -0.55 0.00 0.00 66.41 65.21 2fsh h THR 113 Cb 0.39 1.35 0.01 0.00 -1.73 0.00 0.00 68.15 68.17 2fsh h THR 113 CO 0.00 0.16 -0.25 -0.07 -0.25 0.00 0.00 175.52 175.11 2fsh h LEU 114 N 0.00 -0.59 -1.23 3.87 3.38 -1.43 -2.20 115.31 117.10 2fsh h LEU 114 Ca -0.00 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2fsh h LEU 114 Cb 0.34 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 2fsh h LEU 114 CO 0.02 -0.21 -0.09 1.55 0.09 0.00 0.00 178.44 179.80 2fsh h PRO 115 N -1.05 0.00 0.24 1.13 0.13 -1.73 -1.61 132.00 129.12 2fsh h PRO 115 Ca -0.07 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 2fsh h PRO 115 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 2fsh h PRO 115 CO 0.12 0.09 -0.12 0.00 -0.23 0.00 0.00 178.00 177.86 2fsh h ALA 116 N 1.91 -0.33 -0.23 -0.56 0.00 -1.52 -0.76 119.26 117.78 2fsh h ALA 116 Ca -0.00 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.79 2fsh h ALA 116 Cb 0.64 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 2fsh h ALA 116 CO 0.01 -0.51 -0.20 -0.92 0.00 0.00 0.00 179.25 177.62 2fsh h TYR 117 N -0.66 -0.53 -0.88 0.00 3.20 -1.27 -1.24 116.97 115.58 2fsh h TYR 117 Ca -0.03 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.91 2fsh h TYR 117 Cb 0.47 0.27 -0.05 0.00 1.54 0.00 0.00 36.73 38.95 2fsh h TYR 117 CO 0.03 -0.28 0.57 1.25 -1.64 0.00 0.00 178.16 178.09 2fsh h LEU 118 N -0.21 0.94 -0.77 2.82 5.85 -1.19 -2.15 115.31 120.60 2fsh h LEU 118 Ca 0.13 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2fsh h LEU 118 Cb 0.41 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.23 2fsh h LEU 118 CO -0.35 0.65 -0.17 0.59 -0.34 0.00 0.00 178.44 178.81 2fsh n ASN 119 N -4.53 1.38 0.18 1.25 3.02 -0.30 -2.88 115.26 113.37 2fsh n ASN 119 Ca 0.11 -1.21 0.07 0.00 -0.03 0.00 0.00 54.58 53.53 2fsh n ASN 119 Cb 0.10 0.11 0.18 0.00 -0.61 0.00 0.00 39.78 39.55 2fsh n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2fsh h ALA 120 N 3.98 0.85 -0.79 5.41 0.00 -0.54 -3.40 119.26 124.77 2fsh h ALA 120 Ca 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2fsh h ALA 120 Cb 0.55 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2fsh h ALA 120 CO 0.00 0.35 0.45 -0.07 0.00 0.00 0.00 179.25 179.99 2fsh h LEU 121 N 0.00 0.97 0.00 0.00 3.38 -1.48 -2.03 115.31 116.15 2fsh h LEU 121 Ca -0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2fsh h LEU 121 Cb 1.12 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2fsh h LEU 121 CO 0.04 0.77 0.00 0.35 0.09 0.00 0.00 178.44 179.69 2fsh n THR 122 N -4.44 0.31 -1.16 0.22 -2.24 -1.26 -4.82 114.28 100.89 2fsh n THR 122 Ca 0.08 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 2fsh n THR 122 Cb 0.08 -0.89 0.00 0.00 -2.10 0.00 0.00 70.33 67.42 2fsh n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fsh n GLY 123 N -0.30 0.41 0.19 3.38 0.00 -0.76 -4.92 105.19 103.19 2fsh n GLY 123 Ca 0.07 -1.01 0.04 0.00 0.00 0.00 0.00 46.02 45.12 2fsh n GLY 123 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2fsh n LYS 124 N -2.55 2.12 0.00 1.61 4.76 -1.26 -5.11 118.16 117.72 2fsh n LYS 124 Ca 0.00 -0.56 0.00 0.00 -2.87 0.00 0.00 58.31 54.88 2fsh n LYS 124 Cb 0.10 -1.03 0.00 0.00 -1.84 0.00 0.00 35.03 32.26 2fsh n LYS 124 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2fsh n GLY 125 N 0.81 -0.53 2.85 0.72 0.00 -1.26 -4.61 105.19 103.16 2fsh n GLY 125 Ca 0.03 -1.70 -0.16 0.00 0.00 0.00 0.00 46.02 44.19 2fsh n GLY 125 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fsh s VAL 126 N -2.20 0.23 -0.40 1.61 1.01 -1.09 -4.16 120.40 115.40 2fsh s VAL 126 Ca 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 61.98 61.93 2fsh s VAL 126 Cb 0.00 -0.28 0.09 0.00 0.00 0.00 0.00 36.38 36.19 2fsh s VAL 126 CO 0.00 0.13 0.20 -1.00 0.00 0.00 0.00 175.10 174.43 2fsh s HIS 127 N 0.70 3.42 -0.13 5.22 3.76 0.19 -0.99 115.29 127.46 2fsh s HIS 127 Ca -0.07 -1.91 -0.26 0.00 -0.15 0.00 0.00 55.06 52.67 2fsh s HIS 127 Cb -0.10 -2.93 -0.02 0.00 1.11 0.00 0.00 32.58 30.64 2fsh s HIS 127 CO -0.01 -0.89 0.84 0.08 -0.85 0.00 0.00 174.74 173.91 2fsh s VAL 128 N 1.29 4.90 -0.21 -0.90 1.01 0.44 -0.69 120.40 126.24 2fsh s VAL 128 Ca 0.04 1.69 -0.04 0.00 0.00 0.00 0.00 61.98 63.67 2fsh s VAL 128 Cb -0.22 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 31.98 2fsh s VAL 128 CO -0.01 0.08 -0.05 -0.69 0.00 0.00 0.00 175.10 174.43 2fsh s VAL 129 N 1.79 3.42 0.29 2.92 1.01 0.90 -2.49 120.40 128.24 2fsh s VAL 129 Ca 0.41 -0.48 0.09 0.00 0.00 0.00 0.00 61.98 61.99 2fsh s VAL 129 Cb -0.17 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 2fsh s VAL 129 CO 0.15 0.44 0.05 0.42 0.00 0.00 0.00 175.10 176.17 2fsh s THR 130 N 1.27 3.38 -0.31 3.92 -4.23 -0.53 -0.93 115.64 118.21 2fsh s THR 130 Ca 0.03 -1.81 0.20 0.00 -1.18 0.00 0.00 61.69 58.93 2fsh s THR 130 Cb -0.14 -2.93 0.21 0.00 1.34 0.00 0.00 72.50 70.97 2fsh s THR 130 CO -0.02 -0.31 1.51 -0.37 -0.54 0.00 0.00 174.62 174.89 2fsh h VAL 131 N 1.75 0.35 -3.47 2.29 -1.51 -1.94 -3.13 116.25 110.59 2fsh h VAL 131 Ca -0.44 -1.51 -0.04 0.00 -1.23 0.00 0.00 66.70 63.48 2fsh h VAL 131 Cb 1.25 2.15 -0.07 0.00 -2.13 0.00 0.00 31.29 32.49 2fsh h VAL 131 CO 0.61 0.20 0.00 0.54 -1.23 0.00 0.00 177.57 177.70 2fsh s ASN 132 N -6.27 -0.03 0.21 4.19 2.20 -1.26 -4.90 114.94 109.08 2fsh s ASN 132 Ca 0.05 -0.93 -0.01 0.00 -0.94 0.00 0.00 52.86 51.03 2fsh s ASN 132 Cb 0.06 0.66 0.18 0.00 -2.00 0.00 0.00 41.25 40.15 2fsh s ASN 132 CO 0.71 -1.26 1.55 0.44 -2.94 0.00 0.00 177.10 175.60 2fsh h ASP 133 N 2.15 0.57 -0.29 3.54 3.32 -1.97 -2.96 116.42 120.79 2fsh h ASP 133 Ca -0.25 -0.28 0.06 0.00 0.02 0.00 0.00 57.03 56.57 2fsh h ASP 133 Cb 1.25 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 40.59 2fsh h ASP 133 CO 0.33 0.96 -0.05 0.22 -1.72 0.00 0.00 179.24 178.99 2fsh h TYR 134 N 0.42 -0.10 -0.32 4.55 3.20 -1.99 -1.92 116.97 120.80 2fsh h TYR 134 Ca 0.02 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.82 2fsh h TYR 134 Cb 1.00 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.34 2fsh h TYR 134 CO 0.04 -0.10 -0.19 -0.07 -1.64 0.00 0.00 178.16 176.20 2fsh h LEU 135 N 0.03 0.58 -0.17 2.82 3.38 -1.97 -0.63 115.31 119.35 2fsh h LEU 135 Ca 0.14 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2fsh h LEU 135 Cb 0.20 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2fsh h LEU 135 CO -0.28 0.78 0.09 0.00 0.09 0.00 0.00 178.44 179.12 2fsh h ALA 136 N 1.27 0.21 -0.43 1.53 0.00 -1.36 0.25 119.26 120.73 2fsh h ALA 136 Ca 0.08 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 2fsh h ALA 136 Cb 0.62 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2fsh h ALA 136 CO 0.04 -0.24 -0.20 1.96 0.00 0.00 0.00 179.25 180.81 2fsh h GLN 137 N 0.16 0.90 -0.19 0.00 4.20 -1.20 -0.91 115.11 118.07 2fsh h GLN 137 Ca 0.06 -0.39 -0.02 0.00 0.06 0.00 0.00 58.65 58.36 2fsh h GLN 137 Cb 0.08 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 2fsh h GLN 137 CO -0.01 1.04 0.04 -0.09 -0.67 0.00 0.00 178.83 179.14 2fsh h ARG 138 N 0.73 0.31 -0.05 1.46 2.43 -0.97 -1.51 114.38 116.78 2fsh h ARG 138 Ca 0.10 -0.08 -0.13 0.00 -0.81 0.00 0.00 59.98 59.06 2fsh h ARG 138 Cb 0.77 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 2fsh h ARG 138 CO 0.06 0.46 -0.57 -0.44 -1.51 0.00 0.00 179.97 177.97 2fsh h ASP 139 N 0.11 0.17 -0.06 -3.80 3.32 -0.97 0.67 116.42 115.86 2fsh h ASP 139 Ca 0.06 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 2fsh h ASP 139 Cb 0.29 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 2fsh h ASP 139 CO 0.00 0.71 -0.01 0.00 -1.72 0.00 0.00 179.24 178.22 2fsh h ALA 140 N 1.30 0.08 -0.60 3.45 0.00 -1.15 -2.12 119.26 120.22 2fsh h ALA 140 Ca -0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 2fsh h ALA 140 Cb 1.04 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2fsh h ALA 140 CO 0.08 -0.21 0.20 0.93 0.00 0.00 0.00 179.25 180.25 2fsh h GLU 141 N -0.22 0.89 -0.37 0.00 4.39 -1.15 0.00 114.58 118.13 2fsh h GLU 141 Ca 0.02 -0.16 -0.15 0.00 0.34 0.00 0.00 59.36 59.40 2fsh h GLU 141 Cb 0.40 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2fsh h GLU 141 CO 0.01 0.76 -0.37 -0.91 -1.16 0.00 0.00 179.01 177.34 2fsh h ASN 142 N 0.87 0.94 1.03 1.42 2.35 -0.85 -3.25 115.58 118.08 2fsh h ASN 142 Ca 0.20 -0.42 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 2fsh h ASN 142 Cb 0.23 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.34 2fsh h ASN 142 CO -0.01 1.20 -0.72 0.78 -1.65 0.00 0.00 177.43 177.02 2fsh h ASN 143 N 0.73 0.00 -0.99 5.81 2.35 -1.34 -3.37 115.58 118.77 2fsh h ASN 143 Ca 0.06 -0.10 0.15 0.00 -0.55 0.00 0.00 56.30 55.86 2fsh h ASN 143 Cb 0.95 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 39.22 2fsh h ASN 143 CO 0.09 0.05 0.61 -0.09 -1.65 0.00 0.00 177.43 176.44 2fsh h ARG 144 N 0.00 0.85 -0.68 0.81 2.43 -1.02 -1.13 114.38 115.64 2fsh h ARG 144 Ca 0.00 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 2fsh h ARG 144 Cb 0.87 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.20 2fsh h ARG 144 CO 0.00 0.56 0.31 -1.35 -1.51 0.00 0.00 179.97 177.98 2fsh h PRO 145 N 0.87 0.98 -0.07 0.20 0.11 -1.77 -0.89 132.00 131.44 2fsh h PRO 145 Ca 0.53 -0.14 -0.01 0.00 0.11 0.00 0.00 66.00 66.49 2fsh h PRO 145 Cb 0.67 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.60 2fsh h PRO 145 CO -0.32 0.77 0.01 1.25 -0.21 0.00 0.00 178.00 179.50 2fsh h LEU 146 N 0.97 0.11 -0.51 2.35 5.85 -1.63 -1.55 115.31 120.90 2fsh h LEU 146 Ca 0.23 -0.26 -0.17 0.00 0.84 0.00 0.00 57.88 58.53 2fsh h LEU 146 Cb 0.13 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2fsh h LEU 146 CO -0.03 0.34 -0.70 -0.26 -0.34 0.00 0.00 178.44 177.46 2fsh h PHE 147 N -0.12 0.36 -0.13 1.25 0.04 -1.18 -2.86 116.94 114.30 2fsh h PHE 147 Ca 0.02 -0.15 -0.10 0.00 2.80 0.00 0.00 57.97 60.54 2fsh h PHE 147 Cb 0.28 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 2fsh h PHE 147 CO 0.01 0.87 -0.35 0.93 -0.60 0.00 0.00 178.31 179.17 2fsh h GLU 148 N 0.18 0.27 -0.02 1.51 5.08 -1.08 0.10 114.58 120.63 2fsh h GLU 148 Ca -0.02 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2fsh h GLU 148 Cb 1.24 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 2fsh h GLU 148 CO 0.11 0.59 -0.04 0.35 -1.00 0.00 0.00 179.01 179.02 2fsh h PHE 149 N 0.23 0.02 -0.47 4.33 3.57 -1.06 -2.22 116.94 121.34 2fsh h PHE 149 Ca 0.03 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 2fsh h PHE 149 Cb 0.74 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.43 2fsh h PHE 149 CO 0.01 0.06 0.06 1.28 -2.23 0.00 0.00 178.31 177.50 2fsh n LEU 150 N -4.48 4.94 -2.30 0.59 4.77 -0.69 -3.94 117.00 115.90 2fsh n LEU 150 Ca -0.03 -3.12 -0.13 0.00 -0.03 0.00 0.00 56.01 52.70 2fsh n LEU 150 Cb 0.13 -0.64 0.05 0.00 -2.33 0.00 0.00 43.42 40.63 2fsh n LEU 150 CO 0.35 0.75 0.14 0.61 -1.33 0.00 0.00 177.39 177.90 2fsh n GLY 151 N -0.19 0.08 3.21 -0.72 0.00 -0.82 -4.62 105.19 102.13 2fsh n GLY 151 Ca 0.29 -0.14 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 2fsh n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fsh s LEU 152 N -4.63 2.39 0.22 0.99 1.43 0.27 -4.99 118.68 114.36 2fsh s LEU 152 Ca 0.31 -0.79 0.07 0.00 -1.03 0.00 0.00 54.13 52.69 2fsh s LEU 152 Cb -0.14 -0.48 -0.04 0.00 0.03 0.00 0.00 46.19 45.57 2fsh s LEU 152 CO 0.42 -0.17 0.12 0.42 0.23 0.00 0.00 176.35 177.37 2fsh s THR 153 N -2.11 4.18 -0.08 5.49 -4.23 -1.26 -3.07 115.64 114.56 2fsh s THR 153 Ca 0.07 -1.42 0.01 0.00 -1.18 0.00 0.00 61.69 59.17 2fsh s THR 153 Cb -0.05 -3.21 0.02 0.00 1.34 0.00 0.00 72.50 70.60 2fsh s THR 153 CO 0.02 -0.27 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.04 2fsh s VAL 154 N -2.02 1.06 0.19 2.29 1.01 -1.26 -2.09 120.40 119.57 2fsh s VAL 154 Ca 0.31 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.96 2fsh s VAL 154 Cb -0.08 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 2fsh s VAL 154 CO 0.23 0.35 0.10 -0.83 0.00 0.00 0.00 175.10 174.95 2fsh s GLY 155 N 0.98 1.67 -0.08 4.51 0.00 0.13 -4.96 107.32 109.57 2fsh s GLY 155 Ca -0.09 -1.31 0.01 0.00 0.00 0.00 0.00 44.72 43.33 2fsh s GLY 155 CO -0.00 -1.33 -0.09 -1.50 0.00 0.00 0.00 173.10 170.18 2fsh s ILE 156 N -1.84 0.97 -0.25 0.90 1.10 -1.26 -1.67 121.20 119.15 2fsh s ILE 156 Ca 0.30 -0.32 -0.08 0.00 -0.51 0.00 0.00 60.65 60.04 2fsh s ILE 156 Cb -0.09 -0.95 -0.03 0.00 0.15 0.00 0.00 42.46 41.53 2fsh s ILE 156 CO 0.22 0.34 0.10 0.21 -2.11 0.00 0.00 174.94 173.70 2fsh s ASN 157 N 1.19 5.40 0.07 4.50 2.47 0.14 -4.78 114.94 123.93 2fsh s ASN 157 Ca -0.05 -0.13 0.06 0.00 0.42 0.00 0.00 52.86 53.15 2fsh s ASN 157 Cb -0.14 -1.98 -0.03 0.00 -1.45 0.00 0.00 41.25 37.65 2fsh s ASN 157 CO -0.02 -0.02 -0.16 -0.76 -3.72 0.00 0.00 177.10 172.42 2fsh s LEU 158 N 1.54 2.26 0.25 3.21 1.43 -1.26 -4.45 118.68 121.66 2fsh s LEU 158 Ca 0.06 -0.61 -0.31 0.00 -1.03 0.00 0.00 54.13 52.24 2fsh s LEU 158 Cb -0.15 -0.63 -0.13 0.00 0.03 0.00 0.00 46.19 45.31 2fsh s LEU 158 CO 0.05 -0.02 1.54 -0.81 0.23 0.00 0.00 176.35 177.35 2fsh n PRO 159 N 1.35 2.41 0.00 1.29 -0.04 -1.26 -1.95 135.00 136.80 2fsh n PRO 159 Ca -0.20 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.12 2fsh n PRO 159 Cb 0.54 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 2fsh n PRO 159 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2fsh n GLY 160 N 2.54 0.91 3.72 0.55 0.00 -1.26 -5.03 105.19 106.62 2fsh n GLY 160 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2fsh n GLY 160 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2fsh s MET 161 N -0.75 4.53 0.61 1.61 0.00 -0.82 -4.95 119.30 119.52 2fsh s MET 161 Ca 0.00 1.68 -0.18 0.00 0.00 0.00 0.00 55.69 57.19 2fsh s MET 161 Cb 0.00 -3.34 -0.03 0.00 0.00 0.00 0.00 34.83 31.46 2fsh s MET 161 CO 0.00 -0.08 1.18 -2.14 0.00 0.00 0.00 175.02 173.98 2fsh s PRO 162 N 0.47 2.92 0.24 4.11 0.02 -1.26 -4.69 135.00 136.81 2fsh s PRO 162 Ca 0.54 1.72 -0.08 0.00 0.02 0.00 0.00 61.00 63.19 2fsh s PRO 162 Cb -0.28 -1.93 0.40 0.00 0.02 0.00 0.00 34.50 32.71 2fsh s PRO 162 CO 0.31 -1.22 1.62 0.00 -0.33 0.00 0.00 177.00 177.38 2fsh h ALA 163 N 0.69 0.69 -0.45 -1.55 0.00 -1.99 -0.90 119.26 115.75 2fsh h ALA 163 Ca -0.50 0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2fsh h ALA 163 Cb 1.28 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 19.54 2fsh h ALA 163 CO 0.55 -0.43 0.16 -1.35 0.00 0.00 0.00 179.25 178.18 2fsh h PRO 164 N 0.05 0.64 -0.04 0.00 0.11 -1.99 -0.88 132.00 129.89 2fsh h PRO 164 Ca 0.40 -0.09 -0.11 0.00 0.11 0.00 0.00 66.00 66.31 2fsh h PRO 164 Cb 0.68 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 2fsh h PRO 164 CO -0.72 0.54 -0.49 0.00 -0.21 0.00 0.00 178.00 177.12 2fsh h ALA 165 N 1.55 1.11 -0.41 -0.75 0.00 -1.70 -2.24 119.26 116.81 2fsh h ALA 165 Ca 0.15 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 2fsh h ALA 165 Cb 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2fsh h ALA 165 CO -0.01 0.63 -0.24 0.87 0.00 0.00 0.00 179.25 180.50 2fsh h LYS 166 N 0.09 0.89 -0.66 0.00 1.57 -0.42 -1.90 116.57 116.14 2fsh h LYS 166 Ca 0.00 -0.41 0.05 0.00 -1.87 0.00 0.00 60.65 58.43 2fsh h LYS 166 Cb 0.90 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.14 2fsh h LYS 166 CO 0.07 1.06 0.37 0.00 -0.57 0.00 0.00 179.45 180.38 2fsh h ARG 167 N 0.71 0.68 -0.96 3.15 3.08 -1.04 0.14 114.38 120.14 2fsh h ARG 167 Ca 0.09 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.14 2fsh h ARG 167 Cb 0.81 -0.15 -0.06 0.00 0.08 0.00 0.00 29.97 30.65 2fsh h ARG 167 CO 0.07 0.45 0.62 1.49 -1.07 0.00 0.00 179.97 181.53 2fsh h GLU 168 N 0.70 1.16 -0.50 0.04 4.81 -1.22 0.16 114.58 119.72 2fsh h GLU 168 Ca 0.29 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.34 2fsh h GLU 168 Cb 0.15 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 2fsh h GLU 168 CO -0.17 0.76 -0.13 0.00 -0.73 0.00 0.00 179.01 178.75 2fsh h ALA 169 N 1.40 0.82 0.00 2.92 0.00 -0.37 -2.49 119.26 121.54 2fsh h ALA 169 Ca 0.39 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2fsh h ALA 169 Cb 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2fsh h ALA 169 CO -0.13 0.65 0.00 1.88 0.00 0.00 0.00 179.25 181.65 2fsh h TYR 170 N 0.84 0.00 0.00 0.00 0.05 -0.37 -3.09 116.97 114.40 2fsh h TYR 170 Ca 0.13 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.91 2fsh h TYR 170 Cb 0.68 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.42 2fsh h TYR 170 CO 0.04 0.00 -0.16 0.00 -1.05 0.00 0.00 178.16 176.99 2fsh n ALA 171 N -2.07 2.66 -1.42 3.88 0.00 0.52 -4.75 120.51 119.33 2fsh n ALA 171 Ca 0.03 -0.16 -0.30 0.00 0.00 0.00 0.00 53.44 53.02 2fsh n ALA 171 Cb 0.46 -1.37 0.12 0.00 0.00 0.00 0.00 19.45 18.66 2fsh n ALA 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fsh s ALA 172 N -3.02 1.84 0.31 0.00 0.00 -0.97 -4.94 121.76 114.98 2fsh s ALA 172 Ca 0.12 -0.25 0.08 0.00 0.00 0.00 0.00 51.96 51.91 2fsh s ALA 172 Cb 0.18 -3.11 0.51 0.00 0.00 0.00 0.00 23.12 20.69 2fsh s ALA 172 CO 0.59 -2.11 1.72 -0.44 0.00 0.00 0.00 175.76 175.52 2fsh h ASP 173 N -1.37 0.19 -3.50 0.00 3.32 -1.75 -3.43 116.42 109.88 2fsh h ASP 173 Ca -0.49 -0.08 -0.24 0.00 0.02 0.00 0.00 57.03 56.25 2fsh h ASP 173 Cb 1.29 -0.05 -0.31 0.00 0.22 0.00 0.00 39.33 40.48 2fsh h ASP 173 CO 0.58 0.58 -0.60 -0.63 -1.72 0.00 0.00 179.24 177.46 2fsh s ILE 174 N -4.14 -0.04 0.06 0.35 1.01 -1.04 -2.69 121.20 114.73 2fsh s ILE 174 Ca -0.04 0.15 0.09 0.00 0.00 0.00 0.00 60.65 60.84 2fsh s ILE 174 Cb 0.14 -0.22 -0.03 0.00 0.01 0.00 0.00 42.46 42.35 2fsh s ILE 174 CO 0.76 0.06 -0.23 -0.89 0.00 0.00 0.00 174.94 174.65 2fsh s THR 175 N 0.95 2.48 -0.06 2.92 2.01 -0.16 0.18 115.64 123.96 2fsh s THR 175 Ca -0.07 -1.39 0.05 0.00 0.31 0.00 0.00 61.69 60.59 2fsh s THR 175 Cb -0.09 -2.04 -0.00 0.00 0.01 0.00 0.00 72.50 70.38 2fsh s THR 175 CO -0.05 0.28 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.65 2fsh s TYR 176 N -0.93 2.07 -0.02 4.92 2.02 -0.67 -0.42 117.35 124.33 2fsh s TYR 176 Ca 0.14 -0.67 -0.29 0.00 -0.37 0.00 0.00 57.07 55.88 2fsh s TYR 176 Cb -0.10 -1.39 0.10 0.00 -0.40 0.00 0.00 41.96 40.17 2fsh s TYR 176 CO 0.05 -0.24 1.29 0.20 -1.57 0.00 0.00 175.55 175.28 2fsh s GLY 177 N 0.08 -0.16 0.70 0.71 0.00 -1.04 -0.68 107.32 106.93 2fsh s GLY 177 Ca -0.07 0.12 -0.11 0.00 0.00 0.00 0.00 44.72 44.65 2fsh s GLY 177 CO 0.04 4.93 1.09 -0.51 0.00 0.00 0.00 173.10 178.65 2fsh s THR 178 N -2.07 3.50 0.17 0.90 -4.23 -1.26 -1.46 115.64 111.19 2fsh s THR 178 Ca 0.28 0.47 -0.16 0.00 -1.18 0.00 0.00 61.69 61.09 2fsh s THR 178 Cb 0.00 -3.48 0.08 0.00 1.34 0.00 0.00 72.50 70.45 2fsh s THR 178 CO -0.01 -0.63 1.69 -0.55 -0.54 0.00 0.00 174.62 174.58 2fsh h ASN 179 N -0.64 -0.23 -0.13 3.99 -1.07 -1.89 -2.81 115.58 112.81 2fsh h ASN 179 Ca -0.45 0.10 0.05 0.00 0.07 0.00 0.00 56.30 56.07 2fsh h ASN 179 Cb 1.25 0.19 -0.05 0.00 -2.07 0.00 0.00 38.32 37.64 2fsh h ASN 179 CO 0.64 -0.07 -0.22 0.78 0.07 0.00 0.00 177.43 178.62 2fsh h ASN 180 N 0.07 -0.68 -0.11 6.14 2.35 -1.93 -1.62 115.58 119.80 2fsh h ASN 180 Ca 0.20 0.11 -0.09 0.00 -0.55 0.00 0.00 56.30 55.97 2fsh h ASN 180 Cb 0.29 0.31 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 2fsh h ASN 180 CO -0.36 -0.27 -0.21 -0.08 -1.65 0.00 0.00 177.43 174.87 2fsh h GLU 181 N -0.28 0.52 0.50 0.81 4.57 -1.92 -1.02 114.58 117.76 2fsh h GLU 181 Ca 0.10 -0.18 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 2fsh h GLU 181 Cb 0.43 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 2fsh h GLU 181 CO -0.29 0.70 -0.26 1.88 -1.18 0.00 0.00 179.01 179.86 2fsh h TYR 182 N 0.46 -0.67 -0.52 0.92 0.05 -1.34 -0.02 116.97 115.86 2fsh h TYR 182 Ca 0.07 -0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.88 2fsh h TYR 182 Cb 0.62 0.23 -0.04 0.00 1.01 0.00 0.00 36.73 38.54 2fsh h TYR 182 CO 0.02 -0.41 0.28 0.78 -1.05 0.00 0.00 178.16 177.79 2fsh h GLY 183 N -0.69 0.73 0.97 3.88 0.00 -1.18 -0.91 103.07 105.87 2fsh h GLY 183 Ca -0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 2fsh h GLY 183 CO 0.10 0.14 0.22 0.74 0.00 0.00 0.00 176.54 177.74 2fsh h PHE 184 N 0.55 0.68 -0.83 5.60 0.04 -1.16 -2.12 116.94 119.69 2fsh h PHE 184 Ca 0.22 -0.04 0.07 0.00 2.80 0.00 0.00 57.97 61.02 2fsh h PHE 184 Cb 0.10 -0.21 -0.06 0.00 2.20 0.00 0.00 35.95 37.97 2fsh h PHE 184 CO -0.09 0.55 0.50 -0.44 -0.60 0.00 0.00 178.31 178.24 2fsh h ASP 185 N 0.61 0.78 -0.29 2.17 3.32 -0.62 -0.10 116.42 122.28 2fsh h ASP 185 Ca 0.16 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.25 2fsh h ASP 185 Cb 0.13 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2fsh h ASP 185 CO -0.02 0.48 0.16 0.22 -1.72 0.00 0.00 179.24 178.37 2fsh h TYR 186 N 0.90 0.30 -0.06 4.55 3.20 -0.89 0.17 116.97 125.15 2fsh h TYR 186 Ca 0.37 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.27 2fsh h TYR 186 Cb 0.22 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 2fsh h TYR 186 CO -0.04 0.17 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.54 2fsh h LEU 187 N 0.33 -0.13 -1.76 2.82 3.38 -1.02 -2.37 115.31 116.57 2fsh h LEU 187 Ca 0.12 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.13 2fsh h LEU 187 Cb 0.02 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2fsh h LEU 187 CO -0.07 -0.06 0.18 0.03 0.09 0.00 0.00 178.44 178.61 2fsh h ARG 188 N -0.04 0.32 0.00 1.13 3.08 -0.92 -1.61 114.38 116.34 2fsh h ARG 188 Ca 0.04 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 2fsh h ARG 188 Cb 0.10 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2fsh h ARG 188 CO -0.09 0.21 -0.29 -0.44 -1.07 0.00 0.00 179.97 178.29 2fsh h ASP 189 N 0.33 0.00 -0.55 7.04 5.19 -0.46 -1.46 116.42 126.50 2fsh h ASP 189 Ca 0.10 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 2fsh h ASP 189 Cb 0.01 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.52 2fsh h ASP 189 CO -0.02 0.29 0.00 0.59 -3.12 0.00 0.00 179.24 176.98 2fsh n ASN 190 N -3.75 4.45 -0.02 6.45 3.02 -0.63 -2.80 115.26 121.98 2fsh n ASN 190 Ca -0.01 -2.49 0.00 0.00 -0.03 0.00 0.00 54.58 52.05 2fsh n ASN 190 Cb 0.39 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 2fsh n ASN 190 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2fsh n MET 191 N 0.86 0.13 -2.07 3.52 2.81 -0.59 -5.06 117.12 116.73 2fsh n MET 191 Ca 0.23 -0.80 -0.36 0.00 -1.81 0.00 0.00 57.70 54.96 2fsh n MET 191 Cb 0.87 -1.01 0.02 0.00 -0.71 0.00 0.00 33.22 32.39 2fsh n MET 191 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2fsh s ALA 192 N -0.30 2.61 -1.85 3.04 0.00 -0.98 -4.96 121.76 119.31 2fsh s ALA 192 Ca 0.01 0.98 0.20 0.00 0.00 0.00 0.00 51.96 53.15 2fsh s ALA 192 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.69 2fsh s ALA 192 CO 0.01 -1.06 1.00 1.19 0.00 0.00 0.00 175.76 176.89 2fsh n PHE 193 N -1.44 0.00 -3.87 0.00 3.01 -1.26 -4.94 117.46 108.95 2fsh n PHE 193 Ca 0.13 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.48 2fsh n PHE 193 Cb 0.50 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.87 2fsh n PHE 193 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2fsh s SER 194 N -2.22 0.03 0.52 4.37 1.04 -1.26 -4.96 113.70 111.22 2fsh s SER 194 Ca 0.17 -0.20 0.30 0.00 0.48 0.00 0.00 55.95 56.69 2fsh s SER 194 Cb 0.16 0.20 1.35 0.00 0.10 0.00 0.00 66.02 67.84 2fsh s SER 194 CO 0.49 -0.36 2.00 1.55 0.98 0.00 0.00 173.24 177.91 2fsh h PRO 195 N 4.35 0.00 0.00 4.02 0.13 -1.93 -2.67 132.00 135.91 2fsh h PRO 195 Ca -0.31 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.77 2fsh h PRO 195 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2fsh h PRO 195 CO 0.41 0.11 -0.25 0.93 -0.23 0.00 0.00 178.00 178.97 2fsh h GLU 196 N 0.00 0.00 0.00 0.86 3.07 -1.96 -2.57 114.58 113.99 2fsh h GLU 196 Ca -0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 2fsh h GLU 196 Cb 0.48 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.39 2fsh h GLU 196 CO 0.01 0.25 -0.04 0.93 -1.40 0.00 0.00 179.01 178.77 2fsh h GLU 197 N 0.00 0.00 -6.75 2.33 5.08 -1.89 -3.45 114.58 109.90 2fsh h GLU 197 Ca -0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 2fsh h GLU 197 Cb 0.48 0.00 0.11 0.00 0.50 0.00 0.00 28.75 29.84 2fsh h GLU 197 CO 0.03 0.04 0.48 0.54 -1.00 0.00 0.00 179.01 179.10 2fsh n ARG 198 N -3.19 2.05 -0.10 2.33 1.74 -0.97 -4.94 116.66 113.59 2fsh n ARG 198 Ca -0.00 0.72 -0.10 0.00 -0.77 0.00 0.00 57.85 57.70 2fsh n ARG 198 Cb 0.26 -2.32 -0.15 0.00 -1.02 0.00 0.00 32.46 29.24 2fsh n ARG 198 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2fsh n VAL 199 N 0.22 1.34 -3.28 1.55 0.24 -1.26 -4.93 118.33 112.21 2fsh n VAL 199 Ca 0.05 -0.81 -0.25 0.00 -2.04 0.00 0.00 64.34 61.29 2fsh n VAL 199 Cb 0.37 -0.53 -0.01 0.00 -1.47 0.00 0.00 33.84 32.19 2fsh n VAL 199 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2fsh s GLN 200 N -2.47 3.52 0.61 7.34 -0.21 -1.26 -4.37 119.66 122.81 2fsh s GLN 200 Ca -0.11 -0.21 0.01 0.00 0.02 0.00 0.00 55.36 55.08 2fsh s GLN 200 Cb 0.06 -2.62 0.12 0.00 1.00 0.00 0.00 33.01 31.56 2fsh s GLN 200 CO 0.78 0.12 0.84 0.54 -2.12 0.00 0.00 175.29 175.45 2fsh n ARG 201 N -1.69 0.11 -1.53 2.91 1.74 -1.26 -5.04 116.66 111.89 2fsh n ARG 201 Ca -0.04 -2.44 -0.45 0.00 -0.77 0.00 0.00 57.85 54.16 2fsh n ARG 201 Cb 0.56 -0.51 -0.02 0.00 -1.02 0.00 0.00 32.46 31.47 2fsh n ARG 201 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2fsh n LYS 202 N -2.52 0.95 -2.61 5.56 4.81 -1.26 -4.85 118.16 118.24 2fsh n LYS 202 Ca 0.14 0.33 -0.42 0.00 -0.87 0.00 0.00 58.31 57.49 2fsh n LYS 202 Cb 0.52 -1.61 -0.03 0.00 0.02 0.00 0.00 35.03 33.93 2fsh n LYS 202 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2fsh s LEU 203 N 1.16 3.55 -0.04 3.14 1.43 -1.26 -4.88 118.68 121.78 2fsh s LEU 203 Ca 0.60 0.11 -0.04 0.00 -1.03 0.00 0.00 54.13 53.78 2fsh s LEU 203 Cb -0.74 -3.19 -0.01 0.00 0.03 0.00 0.00 46.19 42.28 2fsh s LEU 203 CO 0.59 -1.42 -0.07 1.57 0.23 0.00 0.00 176.35 177.25 2fsh n HIS 204 N 8.25 0.00 -3.98 0.29 -0.00 -1.26 -2.11 115.22 116.41 2fsh n HIS 204 Ca 0.08 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.60 2fsh n HIS 204 Cb 0.49 -0.10 -0.17 0.00 -0.00 0.00 0.00 29.99 30.21 2fsh n HIS 204 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 2fsh s TYR 205 N -1.38 0.64 -0.22 1.57 5.04 -1.26 -0.16 117.35 121.59 2fsh s TYR 205 Ca -0.06 -0.16 -0.02 0.00 -2.44 0.00 0.00 57.07 54.40 2fsh s TYR 205 Cb 0.01 -0.67 0.01 0.00 0.35 0.00 0.00 41.96 41.66 2fsh s TYR 205 CO 0.08 -0.23 -0.09 0.00 -1.34 0.00 0.00 175.55 173.97 2fsh s ALA 206 N 1.32 2.63 -0.32 3.97 0.00 -0.72 0.56 121.76 129.20 2fsh s ALA 206 Ca -0.05 -1.29 -0.03 0.00 0.00 0.00 0.00 51.96 50.59 2fsh s ALA 206 Cb -0.13 -1.55 0.05 0.00 0.00 0.00 0.00 23.12 21.49 2fsh s ALA 206 CO -0.02 -0.55 0.05 -1.17 0.00 0.00 0.00 175.76 174.07 2fsh s LEU 207 N 1.37 4.15 -0.25 0.00 2.96 0.13 -0.89 118.68 126.15 2fsh s LEU 207 Ca 0.03 -1.30 -0.08 0.00 -0.22 0.00 0.00 54.13 52.56 2fsh s LEU 207 Cb -0.15 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 2fsh s LEU 207 CO -0.06 -0.31 0.09 -0.69 -1.32 0.00 0.00 176.35 174.06 2fsh s VAL 208 N 1.29 4.52 0.27 1.68 1.01 -0.42 -0.07 120.40 128.69 2fsh s VAL 208 Ca -0.03 -0.10 0.08 0.00 0.00 0.00 0.00 61.98 61.93 2fsh s VAL 208 Cb -0.20 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 2fsh s VAL 208 CO -0.00 0.33 1.62 0.44 0.00 0.00 0.00 175.10 177.49 2fsh h ASP 209 N 8.16 0.12 -2.39 3.32 3.32 -1.32 -1.04 116.42 126.58 2fsh h ASP 209 Ca -0.38 -0.06 -0.44 0.00 0.02 0.00 0.00 57.03 56.17 2fsh h ASP 209 Cb 1.18 -0.03 -0.36 0.00 0.22 0.00 0.00 39.33 40.33 2fsh h ASP 209 CO 0.58 0.66 -0.72 -1.61 -1.72 0.00 0.00 179.24 176.43 2fsh s GLU 210 N -3.76 0.35 0.32 3.56 2.02 -1.23 -4.40 118.70 115.56 2fsh s GLU 210 Ca -0.03 -0.53 0.25 0.00 0.02 0.00 0.00 54.97 54.68 2fsh s GLU 210 Cb 0.13 -0.92 0.60 0.00 0.10 0.00 0.00 34.13 34.04 2fsh s GLU 210 CO 0.77 -1.07 1.70 -0.39 0.02 0.00 0.00 175.26 176.29 2fsh h VAL 211 N 5.98 0.00 -0.13 2.63 -1.51 -1.47 -2.97 116.25 118.77 2fsh h VAL 211 Ca -0.10 -0.71 -0.01 0.00 -1.23 0.00 0.00 66.70 64.65 2fsh h VAL 211 Cb 1.04 1.71 -0.01 0.00 -2.13 0.00 0.00 31.29 31.90 2fsh h VAL 211 CO 0.34 0.00 0.06 0.44 -1.23 0.00 0.00 177.57 177.18 2fsh h ASP 212 N 0.00 0.18 0.02 4.19 3.32 -1.94 -0.54 116.42 121.65 2fsh h ASP 212 Ca 0.00 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 2fsh h ASP 212 Cb 0.85 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.35 2fsh h ASP 212 CO 0.00 0.28 -0.01 0.77 -1.72 0.00 0.00 179.24 178.55 2fsh h SER 213 N 0.07 -0.02 -0.08 6.45 4.64 -1.96 -0.33 113.55 122.33 2fsh h SER 213 Ca 0.04 -0.63 -0.11 0.00 -0.47 0.00 0.00 61.79 60.63 2fsh h SER 213 Cb 0.15 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2fsh h SER 213 CO -0.00 0.63 -0.37 0.40 -0.87 0.00 0.00 176.83 176.62 2fsh h ILE 214 N -0.70 1.41 0.06 0.95 2.04 -1.51 -0.32 117.51 119.44 2fsh h ILE 214 Ca -0.00 -1.75 -0.36 0.00 1.00 0.00 0.00 64.86 63.74 2fsh h ILE 214 Cb 0.65 2.30 -0.04 0.00 -0.74 0.00 0.00 36.82 38.99 2fsh h ILE 214 CO 0.00 0.51 -2.11 0.18 0.00 0.00 0.00 178.15 176.73 2fsh n LEU 215 N -4.38 2.16 -0.07 1.44 4.77 -0.29 -4.28 117.00 116.36 2fsh n LEU 215 Ca -0.08 0.13 -0.05 0.00 -0.03 0.00 0.00 56.01 55.99 2fsh n LEU 215 Cb 0.53 -0.68 -0.02 0.00 -2.33 0.00 0.00 43.42 40.92 2fsh n LEU 215 CO 0.43 0.76 -0.36 -0.38 -1.33 0.00 0.00 177.39 176.51 2fsh n ILE 216 N -3.28 1.34 -0.04 -0.08 2.08 -0.71 -3.70 119.36 114.97 2fsh n ILE 216 Ca -0.33 0.23 -0.03 0.00 0.56 0.00 0.00 62.75 63.18 2fsh n ILE 216 Cb 1.04 -2.34 0.20 0.00 -0.75 0.00 0.00 39.64 37.80 2fsh n ILE 216 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 2fsh h ASP 217 N -0.94 0.61 -0.46 4.38 3.32 -0.74 -2.92 116.42 119.67 2fsh h ASP 217 Ca 0.00 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.89 2fsh h ASP 217 Cb 0.52 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.91 2fsh h ASP 217 CO 0.00 0.74 0.00 -0.62 -1.72 0.00 0.00 179.24 177.64 2fsh n GLU 218 N -4.19 2.45 -0.16 3.56 -0.58 -0.16 -4.67 120.64 116.88 2fsh n GLU 218 Ca 0.01 -2.21 -0.06 0.00 -0.42 0.00 0.00 57.16 54.48 2fsh n GLU 218 Cb 0.33 -1.51 -0.01 0.00 -0.57 0.00 0.00 31.44 29.69 2fsh n GLU 218 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2fsh h ALA 219 N 4.38 -0.13 -0.24 0.62 0.00 -1.59 -2.08 119.26 120.22 2fsh h ALA 219 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2fsh h ALA 219 Cb 0.91 0.76 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2fsh h ALA 219 CO 0.00 -0.71 0.00 0.54 0.00 0.00 0.00 179.25 179.08 2fsh n ARG 220 N -5.42 2.03 -2.03 0.00 1.74 -1.26 -0.87 116.66 110.85 2fsh n ARG 220 Ca 0.03 -1.55 -0.42 0.00 -0.77 0.00 0.00 57.85 55.13 2fsh n ARG 220 Cb 0.35 -1.44 -0.03 0.00 -1.02 0.00 0.00 32.46 30.32 2fsh n ARG 220 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2fsh s THR 221 N -1.69 3.62 0.26 0.55 2.01 -0.78 -4.80 115.64 114.81 2fsh s THR 221 Ca 0.34 0.74 -0.30 0.00 0.31 0.00 0.00 61.69 62.79 2fsh s THR 221 Cb 0.19 -3.49 -0.09 0.00 0.01 0.00 0.00 72.50 69.12 2fsh s THR 221 CO 0.28 -0.07 1.04 -2.84 -0.69 0.00 0.00 174.62 172.33 2fsh s PRO 222 N 4.05 4.73 -0.24 4.92 0.02 -1.26 -2.11 135.00 145.11 2fsh s PRO 222 Ca 0.73 1.68 -0.09 0.00 0.02 0.00 0.00 61.00 63.33 2fsh s PRO 222 Cb -0.32 -3.22 -0.04 0.00 0.02 0.00 0.00 34.50 30.93 2fsh s PRO 222 CO 0.29 0.34 0.12 -0.51 -0.33 0.00 0.00 177.00 176.91 2fsh s LEU 223 N -1.34 3.87 -0.03 -5.54 1.43 0.19 -4.96 118.68 112.30 2fsh s LEU 223 Ca 0.43 0.01 0.05 0.00 -1.03 0.00 0.00 54.13 53.58 2fsh s LEU 223 Cb -0.30 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 43.88 2fsh s LEU 223 CO 0.37 0.05 -0.17 -0.63 0.23 0.00 0.00 176.35 176.20 2fsh s ILE 224 N 1.16 1.38 -0.16 -0.59 1.01 -1.26 -1.86 121.20 120.87 2fsh s ILE 224 Ca 0.06 -0.71 -0.03 0.00 0.00 0.00 0.00 60.65 59.97 2fsh s ILE 224 Cb -0.14 -1.17 -0.02 0.00 0.01 0.00 0.00 42.46 41.13 2fsh s ILE 224 CO 0.05 0.40 -0.05 -0.63 0.00 0.00 0.00 174.94 174.70 2fsh s ILE 225 N -0.09 3.68 0.24 2.92 1.01 -0.11 -5.01 121.20 123.84 2fsh s ILE 225 Ca -0.00 -0.43 0.11 0.00 0.00 0.00 0.00 60.65 60.33 2fsh s ILE 225 Cb -0.10 -2.61 -0.05 0.00 0.01 0.00 0.00 42.46 39.71 2fsh s ILE 225 CO 0.01 0.49 -0.18 -0.44 0.00 0.00 0.00 174.94 174.82 2fsh s SER 226 N 0.52 3.72 0.01 3.58 0.01 -1.26 0.31 113.70 120.58 2fsh s SER 226 Ca -0.04 -0.89 -0.29 0.00 1.31 0.00 0.00 55.95 56.04 2fsh s SER 226 Cb -0.15 -0.39 0.10 0.00 0.21 0.00 0.00 66.02 65.79 2fsh s SER 226 CO 0.03 0.07 1.03 -0.83 0.41 0.00 0.00 173.24 173.94 2fsh s GLY 227 N -3.21 -0.36 -0.42 3.44 0.00 0.62 -4.83 107.32 102.55 2fsh s GLY 227 Ca 0.27 0.81 -0.01 0.00 0.00 0.00 0.00 44.72 45.79 2fsh s GLY 227 CO 0.14 0.24 2.05 -1.55 0.00 0.00 0.00 173.10 173.98 2fsh n PRO 228 N -0.32 2.07 -0.30 2.90 -0.04 -1.26 -1.26 135.00 136.79 2fsh n PRO 228 Ca -0.06 -2.08 0.14 0.00 -0.04 0.00 0.00 63.50 61.46 2fsh n PRO 228 Cb 0.61 -1.82 0.30 0.00 -0.04 0.00 0.00 33.50 32.55 2fsh n PRO 228 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2fsh h ALA 229 N 1.68 1.30 -4.85 0.55 0.00 -1.90 -3.43 119.26 112.62 2fsh h ALA 229 Ca 0.38 0.24 -0.05 0.00 0.00 0.00 0.00 54.91 55.48 2fsh h ALA 229 Cb 0.87 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2fsh h ALA 229 CO 1.00 -0.50 -0.08 0.39 0.00 0.00 0.00 179.25 180.06 2fsh n GLU 230 N -5.26 -0.99 -0.24 0.00 4.71 -1.26 -4.63 120.64 112.96 2fsh n GLU 230 Ca 0.22 0.01 0.24 0.00 -0.01 0.00 0.00 57.16 57.62 2fsh n GLU 230 Cb 0.72 -0.31 0.44 0.00 -1.01 0.00 0.00 31.44 31.28 2fsh n GLU 230 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2fsh n ASP 231 N 0.13 0.25 -3.83 1.62 10.43 -1.26 -5.03 116.55 118.86 2fsh n ASP 231 Ca -0.02 1.21 -0.14 0.00 2.57 0.00 0.00 54.79 58.41 2fsh n ASP 231 Cb 0.05 -0.59 -0.15 0.00 1.84 0.00 0.00 41.12 42.27 2fsh n ASP 231 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 2fsh s SER 232 N -4.63 0.06 0.54 -2.24 0.15 -1.26 -5.24 113.70 101.08 2fsh s SER 232 Ca -0.07 0.01 -0.22 0.00 0.70 0.00 0.00 55.95 56.38 2fsh s SER 232 Cb 0.25 -0.04 -0.05 0.00 -1.71 0.00 0.00 66.02 64.46 2fsh s SER 232 CO 0.58 -0.06 1.35 0.00 1.20 0.00 0.00 173.24 176.30 2fsh n GLN 366 N 3.59 1.72 -3.10 5.44 6.02 -1.26 -5.06 117.38 124.73 2fsh n GLN 366 Ca -0.19 0.63 -0.42 0.00 -0.01 0.00 0.00 57.00 57.00 2fsh n GLN 366 Cb 0.55 -2.56 0.00 0.00 1.02 0.00 0.00 30.24 29.26 2fsh n GLN 366 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2fsh n ASN 367 N -0.87 6.06 -0.39 1.08 5.03 -1.26 -5.04 115.26 119.86 2fsh n ASN 367 Ca 0.10 -3.35 0.00 0.00 0.87 0.00 0.00 54.58 52.20 2fsh n ASN 367 Cb 0.44 -1.24 0.00 0.00 -1.02 0.00 0.00 39.78 37.96 2fsh n ASN 367 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2fsh n GLU 368 N 1.52 0.00 -4.07 3.52 4.71 -1.26 -4.76 120.64 120.30 2fsh n GLU 368 Ca 0.26 0.00 -0.28 0.00 -0.01 0.00 0.00 57.16 57.13 2fsh n GLU 368 Cb 0.35 -0.30 -0.06 0.00 -1.01 0.00 0.00 31.44 30.41 2fsh n GLU 368 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 2fsh s ASN 369 N -2.87 5.54 0.16 1.62 -0.87 -1.26 -4.27 114.94 112.99 2fsh s ASN 369 Ca 0.00 -0.08 -0.22 0.00 -1.57 0.00 0.00 52.86 50.99 2fsh s ASN 369 Cb 0.00 -1.47 0.06 0.00 -0.02 0.00 0.00 41.25 39.83 2fsh s ASN 369 CO 0.00 0.11 0.57 0.00 -2.57 0.00 0.00 177.10 175.21 2fsh s GLN 370 N -2.84 1.26 -0.12 -0.60 -2.07 -0.39 -4.92 119.66 109.97 2fsh s GLN 370 Ca 0.30 -0.52 -0.29 0.00 -1.82 0.00 0.00 55.36 53.03 2fsh s GLN 370 Cb -0.11 0.57 -0.02 0.00 -1.09 0.00 0.00 33.01 32.36 2fsh s GLN 370 CO 0.23 -0.54 1.25 0.99 -1.32 0.00 0.00 175.29 175.90 2fsh s THR 371 N -3.76 4.25 -0.09 3.63 2.01 -1.26 -0.28 115.64 120.14 2fsh s THR 371 Ca 0.02 1.54 0.21 0.00 0.31 0.00 0.00 61.69 63.76 2fsh s THR 371 Cb -0.01 -3.99 -0.28 0.00 0.01 0.00 0.00 72.50 68.23 2fsh s THR 371 CO -0.12 -0.09 0.47 0.18 -0.69 0.00 0.00 174.62 174.36 2fsh n LEU 372 N 6.13 0.13 -3.64 4.42 4.77 0.15 -4.73 117.00 124.22 2fsh n LEU 372 Ca 0.13 0.05 -0.09 0.00 -0.03 0.00 0.00 56.01 56.07 2fsh n LEU 372 Cb 0.45 0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.57 2fsh n LEU 372 CO 0.56 0.09 0.65 0.00 -1.33 0.00 0.00 177.39 177.36 2fsh s ALA 373 N -3.26 -1.97 -0.06 -1.18 0.00 -1.10 -4.67 121.76 109.52 2fsh s ALA 373 Ca -0.07 1.98 -0.10 0.00 0.00 0.00 0.00 51.96 53.77 2fsh s ALA 373 Cb 0.12 -1.43 0.02 0.00 0.00 0.00 0.00 23.12 21.83 2fsh s ALA 373 CO 0.88 -0.28 0.25 0.45 0.00 0.00 0.00 175.76 177.06 2fsh s SER 374 N 0.49 -0.20 -0.08 0.00 0.15 -1.26 -0.93 113.70 111.86 2fsh s SER 374 Ca 0.00 0.30 -0.21 0.00 0.70 0.00 0.00 55.95 56.74 2fsh s SER 374 Cb -0.05 0.43 0.05 0.00 -1.71 0.00 0.00 66.02 64.74 2fsh s SER 374 CO -0.07 -0.23 0.50 -0.51 1.20 0.00 0.00 173.24 174.14 2fsh s ILE 375 N -0.48 0.02 0.48 6.45 2.07 -0.78 -4.98 121.20 123.98 2fsh s ILE 375 Ca -0.06 -0.17 -0.04 0.00 -1.41 0.00 0.00 60.65 58.98 2fsh s ILE 375 Cb -0.04 -0.78 -0.02 0.00 0.13 0.00 0.00 42.46 41.75 2fsh s ILE 375 CO 0.02 -0.09 0.76 0.42 -1.91 0.00 0.00 174.94 174.13 2fsh s THR 376 N -0.77 4.51 0.22 4.00 -4.23 -1.26 0.56 115.64 118.68 2fsh s THR 376 Ca -0.08 -0.05 -0.08 0.00 -1.18 0.00 0.00 61.69 60.30 2fsh s THR 376 Cb -0.03 -3.71 0.18 0.00 1.34 0.00 0.00 72.50 70.28 2fsh s THR 376 CO 0.05 -0.64 1.85 -0.26 -0.54 0.00 0.00 174.62 175.08 2fsh h PHE 377 N 0.23 1.14 -0.84 3.99 0.04 -1.09 0.02 116.94 120.44 2fsh h PHE 377 Ca -0.47 -0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.33 2fsh h PHE 377 Cb 1.23 -0.37 -0.06 0.00 2.20 0.00 0.00 35.95 38.95 2fsh h PHE 377 CO 0.53 0.79 0.52 0.37 -0.60 0.00 0.00 178.31 179.92 2fsh h GLN 378 N 1.17 0.95 0.00 1.51 4.15 -1.25 -1.94 115.11 119.69 2fsh h GLN 378 Ca 0.30 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.66 2fsh h GLN 378 Cb 0.01 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.49 2fsh h GLN 378 CO -0.05 0.63 -0.37 -0.91 -1.93 0.00 0.00 178.83 176.20 2fsh h ASN 379 N 0.98 0.00 0.70 -0.69 2.35 -1.55 -2.20 115.58 115.16 2fsh h ASN 379 Ca 0.35 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 56.06 2fsh h ASN 379 Cb 0.11 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.49 2fsh h ASN 379 CO -0.15 0.01 -0.33 0.22 -1.65 0.00 0.00 177.43 175.52 2fsh h TYR 380 N 0.00 -0.87 -0.11 1.19 3.20 -0.76 -3.25 116.97 116.38 2fsh h TYR 380 Ca 0.00 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.82 2fsh h TYR 380 Cb 0.96 0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.51 2fsh h TYR 380 CO 0.00 -0.51 -0.07 0.74 -1.64 0.00 0.00 178.16 176.68 2fsh h PHE 381 N -1.14 0.16 0.00 -3.82 0.04 -1.37 -0.91 116.94 109.89 2fsh h PHE 381 Ca -0.10 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.66 2fsh h PHE 381 Cb 0.75 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.85 2fsh h PHE 381 CO -0.00 0.24 0.13 0.00 -0.60 0.00 0.00 178.31 178.07 2fsh h ARG 382 N 0.15 0.00 0.00 1.51 3.08 -1.46 -2.64 114.38 115.02 2fsh h ARG 382 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2fsh h ARG 382 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2fsh h ARG 382 CO 0.01 0.00 -0.18 -0.07 -1.07 0.00 0.00 179.97 178.67 2fsh h LEU 383 N 0.00 0.00 -9.97 3.04 3.38 -1.19 -3.46 115.31 107.12 2fsh h LEU 383 Ca 0.00 -0.05 -0.49 0.00 0.09 0.00 0.00 57.88 57.43 2fsh h LEU 383 Cb 0.25 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.04 2fsh h LEU 383 CO 0.00 0.02 0.45 -0.31 0.09 0.00 0.00 178.44 178.69 2fsh s TYR 384 N -3.14 3.14 0.13 1.13 1.51 -1.00 -4.82 117.35 114.30 2fsh s TYR 384 Ca 0.09 1.60 -0.16 0.00 -1.01 0.00 0.00 57.07 57.59 2fsh s TYR 384 Cb 0.11 -3.24 -0.01 0.00 -0.11 0.00 0.00 41.96 38.72 2fsh s TYR 384 CO 0.64 -0.96 1.70 1.49 -1.11 0.00 0.00 175.55 177.31 2fsh h GLU 385 N 2.44 0.56 -5.00 -0.62 4.81 -1.20 -3.42 114.58 112.14 2fsh h GLU 385 Ca -0.49 -0.09 -0.61 0.00 -0.13 0.00 0.00 59.36 58.05 2fsh h GLU 385 Cb 1.23 -0.10 -0.33 0.00 0.63 0.00 0.00 28.75 30.18 2fsh h GLU 385 CO 0.62 0.51 -0.85 0.15 -0.73 0.00 0.00 179.01 178.70 2fsh s LYS 386 N -5.65 2.48 -0.02 1.92 1.02 0.77 -5.03 119.74 115.23 2fsh s LYS 386 Ca -0.13 -0.68 0.03 0.00 0.02 0.00 0.00 55.97 55.21 2fsh s LYS 386 Cb 0.10 -1.93 -0.00 0.00 -0.52 0.00 0.00 37.83 35.47 2fsh s LYS 386 CO 0.74 0.10 -0.11 -1.17 -0.92 0.00 0.00 175.35 174.00 2fsh s LEU 387 N 0.51 1.91 0.16 3.17 2.96 -1.26 -1.75 118.68 124.38 2fsh s LEU 387 Ca -0.16 -0.22 -0.19 0.00 -0.22 0.00 0.00 54.13 53.34 2fsh s LEU 387 Cb -0.17 -0.62 0.05 0.00 0.50 0.00 0.00 46.19 45.95 2fsh s LEU 387 CO 0.06 0.11 0.51 0.00 -1.32 0.00 0.00 176.35 175.71 2fsh s ALA 388 N -0.05 -1.17 0.25 5.97 0.00 -0.07 -3.71 121.76 122.98 2fsh s ALA 388 Ca 0.00 0.09 -0.21 0.00 0.00 0.00 0.00 51.96 51.85 2fsh s ALA 388 Cb -0.07 0.80 0.06 0.00 0.00 0.00 0.00 23.12 23.91 2fsh s ALA 388 CO 0.00 -0.73 0.89 0.20 0.00 0.00 0.00 175.76 176.12 2fsh s GLY 389 N -2.80 0.04 0.10 0.00 0.00 -0.52 -1.30 107.32 102.85 2fsh s GLY 389 Ca 0.04 -0.31 0.08 0.00 0.00 0.00 0.00 44.72 44.53 2fsh s GLY 389 CO -0.10 0.54 -0.21 1.06 0.00 0.00 0.00 173.10 174.39 2fsh s MET 390 N -2.85 1.15 0.24 2.90 -1.94 -0.39 -1.17 119.30 117.24 2fsh s MET 390 Ca 0.15 -1.17 -0.17 0.00 -1.71 0.00 0.00 55.69 52.80 2fsh s MET 390 Cb -0.04 -1.43 0.02 0.00 2.01 0.00 0.00 34.83 35.39 2fsh s MET 390 CO 0.06 0.33 0.58 -0.08 -0.01 0.00 0.00 175.02 175.90 2fsh s THR 391 N -1.14 0.01 0.68 2.05 -1.32 -1.07 -1.49 115.64 113.36 2fsh s THR 391 Ca 0.07 -1.05 -0.10 0.00 -1.21 0.00 0.00 61.69 59.39 2fsh s THR 391 Cb -0.10 -1.92 0.01 0.00 -1.51 0.00 0.00 72.50 68.98 2fsh s THR 391 CO 0.04 -0.04 1.06 -0.83 -2.21 0.00 0.00 174.62 172.65 2fsh s GLY 392 N -2.94 1.62 0.00 6.08 0.00 -1.24 -0.94 107.32 109.90 2fsh s GLY 392 Ca 0.14 -0.39 0.00 0.00 0.00 0.00 0.00 44.72 44.47 2fsh s GLY 392 CO 0.04 -0.04 0.44 2.41 0.00 0.00 0.00 173.10 175.95 2fsh n THR 393 N -2.92 0.30 -0.44 0.90 -1.04 -1.26 -3.38 114.28 106.43 2fsh n THR 393 Ca 0.06 0.12 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 2fsh n THR 393 Cb 0.57 -1.12 0.00 0.00 -1.82 0.00 0.00 70.33 67.96 2fsh n THR 393 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2fsh n ALA 394 N -0.94 0.00 -2.25 2.41 0.00 -1.26 -4.72 120.51 113.75 2fsh n ALA 394 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2fsh n ALA 394 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 2fsh n ALA 394 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2fsh n ASP 395 N 1.76 0.00 0.00 0.00 4.64 -1.22 -4.92 116.55 116.82 2fsh n ASP 395 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 2fsh n ASP 395 Cb 0.08 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.16 2fsh n ASP 395 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 2fsh n THR 396 N 0.00 0.00 -1.59 5.18 -2.24 -1.26 -4.77 114.28 109.60 2fsh n THR 396 Ca 0.00 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 2fsh n THR 396 Cb 0.00 -0.04 0.20 0.00 -2.10 0.00 0.00 70.33 68.39 2fsh n THR 396 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2fsh n GLU 397 N -2.00 1.53 -0.08 -0.78 1.02 -1.26 -4.81 120.64 114.26 2fsh n GLU 397 Ca 0.00 -3.22 -0.10 0.00 -0.02 0.00 0.00 57.16 53.82 2fsh n GLU 397 Cb 0.00 -1.57 -0.03 0.00 -0.02 0.00 0.00 31.44 29.82 2fsh n GLU 397 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2fsh h ALA 398 N 0.93 0.34 -0.53 0.62 0.00 -1.98 -2.48 119.26 116.15 2fsh h ALA 398 Ca -0.01 -0.08 0.15 0.00 0.00 0.00 0.00 54.91 54.98 2fsh h ALA 398 Cb 1.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2fsh h ALA 398 CO 0.00 -0.12 0.39 0.27 0.00 0.00 0.00 179.25 179.80 2fsh h PHE 399 N 0.31 0.00 0.06 0.00 -0.00 -1.95 -2.72 116.94 112.65 2fsh h PHE 399 Ca 0.09 0.00 -0.24 0.00 -0.00 0.00 0.00 57.97 57.82 2fsh h PHE 399 Cb 0.08 0.00 0.02 0.00 -0.00 0.00 0.00 35.95 36.06 2fsh h PHE 399 CO -0.03 0.00 -0.99 0.93 -0.00 0.00 0.00 178.31 178.22 2fsh h GLU 400 N 0.00 0.56 -0.73 6.09 5.08 -1.82 -2.67 114.58 121.10 2fsh h GLU 400 Ca 0.25 -0.69 0.13 0.00 -1.00 0.00 0.00 59.36 58.06 2fsh h GLU 400 Cb 1.03 0.22 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 2fsh h GLU 400 CO -0.00 1.29 0.49 0.74 -1.00 0.00 0.00 179.01 180.52 2fsh h PHE 401 N 0.15 0.51 -0.00 4.33 0.04 -1.16 0.71 116.94 121.51 2fsh h PHE 401 Ca -0.14 0.01 -0.15 0.00 2.80 0.00 0.00 57.97 60.49 2fsh h PHE 401 Cb 1.69 -0.16 0.01 0.00 2.20 0.00 0.00 35.95 39.69 2fsh h PHE 401 CO 0.13 0.21 -0.59 1.03 -0.60 0.00 0.00 178.31 178.48 2fsh h SER 402 N 0.45 0.53 0.24 2.17 0.87 -1.45 -1.84 113.55 114.52 2fsh h SER 402 Ca 0.35 -0.76 -0.01 0.00 -1.23 0.00 0.00 61.79 60.14 2fsh h SER 402 Cb 0.75 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2fsh h SER 402 CO -0.11 1.22 -0.11 0.28 -0.53 0.00 0.00 176.83 177.57 2fsh h SER 403 N -0.11 -0.27 0.84 6.23 0.02 -1.10 -0.68 113.55 118.49 2fsh h SER 403 Ca -0.07 -0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.72 2fsh h SER 403 Cb 1.31 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.90 2fsh h SER 403 CO 0.12 -0.14 -0.57 0.40 -1.14 0.00 0.00 176.83 175.50 2fsh h ILE 404 N -0.38 1.21 0.00 3.27 2.04 -0.93 -3.41 117.51 119.31 2fsh h ILE 404 Ca -0.03 -2.08 0.00 0.00 1.00 0.00 0.00 64.86 63.74 2fsh h ILE 404 Cb 0.29 2.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 2fsh h ILE 404 CO 0.05 0.56 -0.06 -1.22 0.00 0.00 0.00 178.15 177.48 2fsh n TYR 405 N -3.58 0.00 -3.51 1.37 4.01 -0.71 -5.02 117.16 109.72 2fsh n TYR 405 Ca -0.00 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.49 2fsh n TYR 405 Cb 0.63 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.71 2fsh n TYR 405 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2fsh n LYS 406 N -0.13 -6.32 -3.38 -0.72 4.76 -0.26 -4.99 118.16 107.13 2fsh n LYS 406 Ca 0.00 0.77 -0.39 0.00 -2.87 0.00 0.00 58.31 55.83 2fsh n LYS 406 Cb 0.00 -5.72 -0.08 0.00 -1.84 0.00 0.00 35.03 27.39 2fsh n LYS 406 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2fsh s LEU 407 N -7.09 4.09 0.61 -0.35 1.43 -1.11 -4.91 118.68 111.35 2fsh s LEU 407 Ca 0.52 0.39 -0.16 0.00 -1.03 0.00 0.00 54.13 53.85 2fsh s LEU 407 Cb -0.24 -2.47 -0.02 0.00 0.03 0.00 0.00 46.19 43.48 2fsh s LEU 407 CO 0.64 -0.14 1.11 -1.81 0.23 0.00 0.00 176.35 176.38 2fsh s ASP 408 N 1.38 5.40 -0.09 2.29 -0.00 -1.06 -3.07 116.67 121.52 2fsh s ASP 408 Ca 0.17 2.02 0.04 0.00 -0.00 0.00 0.00 52.55 54.79 2fsh s ASP 408 Cb -0.15 -2.56 -0.00 0.00 -0.00 0.00 0.00 42.92 40.21 2fsh s ASP 408 CO 0.09 -1.43 -0.24 0.42 -0.00 0.00 0.00 175.17 174.01 2fsh s THR 409 N -2.18 2.12 -0.12 -1.27 -4.23 -1.26 0.46 115.64 109.16 2fsh s THR 409 Ca 0.68 -1.01 0.02 0.00 -1.18 0.00 0.00 61.69 60.20 2fsh s THR 409 Cb -0.21 -1.80 -0.00 0.00 1.34 0.00 0.00 72.50 71.83 2fsh s THR 409 CO 0.36 0.56 -0.19 -0.69 -0.54 0.00 0.00 174.62 174.12 2fsh s VAL 410 N 0.18 2.46 -0.38 2.29 1.01 0.10 -4.93 120.40 121.12 2fsh s VAL 410 Ca -0.14 -0.87 -0.25 0.00 0.00 0.00 0.00 61.98 60.73 2fsh s VAL 410 Cb -0.17 -1.99 0.02 0.00 0.00 0.00 0.00 36.38 34.24 2fsh s VAL 410 CO 0.07 0.54 0.86 -0.69 0.00 0.00 0.00 175.10 175.89 2fsh s VAL 411 N 0.43 4.63 -0.19 2.92 1.01 -1.26 -0.94 120.40 126.99 2fsh s VAL 411 Ca -0.14 0.97 -0.20 0.00 0.00 0.00 0.00 61.98 62.62 2fsh s VAL 411 Cb -0.17 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 2fsh s VAL 411 CO 0.06 -0.55 0.58 -0.69 0.00 0.00 0.00 175.10 174.50 2fsh s VAL 412 N 3.36 5.06 0.54 2.92 1.01 0.28 -4.95 120.40 128.62 2fsh s VAL 412 Ca 0.35 1.08 -0.21 0.00 0.00 0.00 0.00 61.98 63.20 2fsh s VAL 412 Cb -0.12 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 2fsh s VAL 412 CO 0.19 0.15 1.20 -0.81 0.00 0.00 0.00 175.10 175.83 2fsh n PRO 413 N 4.88 1.41 -2.70 2.72 -0.04 -1.26 -4.62 135.00 135.39 2fsh n PRO 413 Ca -0.03 0.52 -0.32 0.00 -0.04 0.00 0.00 63.50 63.63 2fsh n PRO 413 Cb 0.50 -2.38 -0.05 0.00 -0.04 0.00 0.00 33.50 31.53 2fsh n PRO 413 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2fsh s THR 414 N -1.35 4.56 0.18 0.52 -4.23 -1.26 -4.87 115.64 109.20 2fsh s THR 414 Ca 0.72 1.15 -0.14 0.00 -1.18 0.00 0.00 61.69 62.24 2fsh s THR 414 Cb -0.44 -3.67 0.10 0.00 1.34 0.00 0.00 72.50 69.83 2fsh s THR 414 CO 0.50 -0.49 1.71 -1.13 -0.54 0.00 0.00 174.62 174.66 2fsh h ASN 415 N 1.43 -0.07 -3.24 3.99 -1.24 -1.95 -3.41 115.58 111.09 2fsh h ASN 415 Ca -0.48 0.09 -0.64 0.00 0.71 0.00 0.00 56.30 55.99 2fsh h ASN 415 Cb 1.18 0.14 -0.11 0.00 0.73 0.00 0.00 38.32 40.26 2fsh h ASN 415 CO 0.62 -0.00 -0.65 -0.13 -1.29 0.00 0.00 177.43 175.97 2fsh s ARG 416 N -6.15 2.56 0.06 6.67 1.81 -1.26 -5.05 118.95 117.58 2fsh s ARG 416 Ca -0.13 -0.87 -0.37 0.00 -1.72 0.00 0.00 55.73 52.63 2fsh s ARG 416 Cb 0.15 -2.53 -0.17 0.00 -0.45 0.00 0.00 34.95 31.95 2fsh s ARG 416 CO 0.72 0.53 1.30 -2.30 -0.68 0.00 0.00 175.30 174.87 2fsh n PRO 417 N 0.41 0.93 -2.74 3.54 -0.02 -1.26 -4.54 135.00 131.33 2fsh n PRO 417 Ca -0.10 0.34 -0.43 0.00 -2.02 0.00 0.00 63.50 61.29 2fsh n PRO 417 Cb 0.52 -1.95 -0.03 0.00 -0.02 0.00 0.00 33.50 32.02 2fsh n PRO 417 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2fsh s MET 418 N 0.50 4.16 0.00 -0.52 -1.94 -1.26 -4.16 119.30 116.07 2fsh s MET 418 Ca 0.86 1.10 0.00 0.00 -1.71 0.00 0.00 55.69 55.94 2fsh s MET 418 Cb -1.02 -3.67 0.00 0.00 2.01 0.00 0.00 34.83 32.15 2fsh s MET 418 CO 0.49 -0.68 0.80 0.44 -0.01 0.00 0.00 175.02 176.07 2fsh n ILE 419 N 5.46 0.63 -1.72 2.53 -5.35 -1.26 -5.02 119.36 114.62 2fsh n ILE 419 Ca 0.10 -0.78 -0.42 0.00 -0.27 0.00 0.00 62.75 61.37 2fsh n ILE 419 Cb 0.47 0.71 -0.02 0.00 -1.74 0.00 0.00 39.64 39.05 2fsh n ILE 419 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 2fsh n ARG 420 N -0.31 2.65 -3.06 6.28 0.63 -1.26 -4.53 116.66 117.06 2fsh n ARG 420 Ca 0.00 0.95 -0.43 0.00 -0.92 0.00 0.00 57.85 57.45 2fsh n ARG 420 Cb 0.18 -2.75 -0.06 0.00 0.45 0.00 0.00 32.46 30.28 2fsh n ARG 420 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2fsh s LYS 421 N 0.33 3.34 -0.52 -0.14 1.02 -0.46 -4.93 119.74 118.39 2fsh s LYS 421 Ca 0.70 -0.26 -0.17 0.00 0.02 0.00 0.00 55.97 56.25 2fsh s LYS 421 Cb -0.52 -3.94 0.08 0.00 -0.52 0.00 0.00 37.83 32.93 2fsh s LYS 421 CO 0.41 -1.03 0.55 -0.51 -0.92 0.00 0.00 175.35 173.84 2fsh s ASP 422 N 2.03 6.19 0.51 2.83 1.01 -1.26 -1.00 116.67 126.97 2fsh s ASP 422 Ca 0.25 -1.29 -0.12 0.00 0.71 0.00 0.00 52.55 52.10 2fsh s ASP 422 Cb -0.13 -2.25 -0.06 0.00 1.01 0.00 0.00 42.92 41.49 2fsh s ASP 422 CO 0.20 -0.85 0.91 -0.76 0.21 0.00 0.00 175.17 174.88 2fsh s LEU 423 N 2.16 3.59 0.49 1.23 1.43 -0.08 -4.95 118.68 122.54 2fsh s LEU 423 Ca 0.09 1.33 -0.23 0.00 -1.03 0.00 0.00 54.13 54.29 2fsh s LEU 423 Cb -0.24 -4.29 -0.08 0.00 0.03 0.00 0.00 46.19 41.62 2fsh s LEU 423 CO 0.08 -0.60 1.19 -2.65 0.23 0.00 0.00 176.35 174.60 2fsh n PRO 424 N -1.86 1.58 -1.70 1.29 -0.02 -1.26 -4.64 135.00 128.39 2fsh n PRO 424 Ca 0.05 0.57 -0.41 0.00 -2.02 0.00 0.00 63.50 61.69 2fsh n PRO 424 Cb 0.54 -2.34 0.02 0.00 -0.02 0.00 0.00 33.50 31.70 2fsh n PRO 424 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2fsh n ASP 425 N -0.24 2.43 -4.37 2.55 9.92 -1.26 -4.68 116.55 120.90 2fsh n ASP 425 Ca 0.09 1.08 -0.33 0.00 -0.53 0.00 0.00 54.79 55.10 2fsh n ASP 425 Cb 0.42 -1.50 -0.14 0.00 -0.64 0.00 0.00 41.12 39.26 2fsh n ASP 425 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2fsh s LEU 426 N -1.84 2.65 -0.08 0.64 1.43 -0.08 -4.69 118.68 116.70 2fsh s LEU 426 Ca 0.63 -0.34 0.04 0.00 -1.03 0.00 0.00 54.13 53.43 2fsh s LEU 426 Cb -0.49 -1.58 -0.01 0.00 0.03 0.00 0.00 46.19 44.13 2fsh s LEU 426 CO 0.56 0.19 -0.20 -0.69 0.23 0.00 0.00 176.35 176.44 2fsh s VAL 427 N 0.22 2.50 0.15 -1.59 1.01 -1.26 -0.84 120.40 120.60 2fsh s VAL 427 Ca -0.09 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.07 2fsh s VAL 427 Cb -0.16 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 2fsh s VAL 427 CO 0.05 0.56 -0.17 -0.31 0.00 0.00 0.00 175.10 175.24 2fsh s TYR 428 N -0.09 1.70 0.07 5.22 2.02 -0.31 -4.81 117.35 121.14 2fsh s TYR 428 Ca -0.04 -0.50 -0.23 0.00 -0.37 0.00 0.00 57.07 55.92 2fsh s TYR 428 Cb -0.14 -0.86 -0.16 0.00 -0.40 0.00 0.00 41.96 40.40 2fsh s TYR 428 CO 0.04 0.28 1.64 0.52 -1.57 0.00 0.00 175.55 176.46 2fsh h MET 429 N 3.29 0.01 -6.52 -0.62 2.86 -1.88 0.28 114.93 112.36 2fsh h MET 429 Ca -0.41 -0.00 -0.62 0.00 -2.06 0.00 0.00 59.70 56.60 2fsh h MET 429 Cb 1.20 -0.00 -0.22 0.00 0.06 0.00 0.00 31.60 32.65 2fsh h MET 429 CO 0.51 0.12 -0.84 0.95 1.06 0.00 0.00 176.91 178.71 2fsh s THR 430 N -5.76 2.00 0.26 2.22 -4.23 -1.26 -2.70 115.64 106.17 2fsh s THR 430 Ca -0.14 -1.68 -0.04 0.00 -1.18 0.00 0.00 61.69 58.65 2fsh s THR 430 Cb 0.05 -1.80 0.28 0.00 1.34 0.00 0.00 72.50 72.37 2fsh s THR 430 CO 0.66 -0.01 1.65 -0.08 -0.54 0.00 0.00 174.62 176.31 2fsh h GLU 431 N 3.91 0.16 -0.83 3.99 4.57 -1.94 -0.55 114.58 123.88 2fsh h GLU 431 Ca -0.48 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 57.67 2fsh h GLU 431 Cb 1.18 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.69 2fsh h GLU 431 CO 0.40 0.10 0.47 0.00 -1.18 0.00 0.00 179.01 178.80 2fsh h ALA 432 N 1.71 1.07 0.00 2.92 0.00 -1.98 0.42 119.26 123.40 2fsh h ALA 432 Ca 0.45 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 55.10 2fsh h ALA 432 Cb 0.83 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2fsh h ALA 432 CO -0.64 0.57 -0.71 1.05 0.00 0.00 0.00 179.25 179.53 2fsh h GLU 433 N 1.16 0.00 0.47 0.00 4.11 -1.82 -1.81 114.58 116.68 2fsh h GLU 433 Ca 0.29 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.71 2fsh h GLU 433 Cb 0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 2fsh h GLU 433 CO -0.05 0.71 -0.27 -0.22 0.07 0.00 0.00 179.01 179.24 2fsh h LYS 434 N 0.00 -0.67 -0.53 1.06 3.64 -0.29 -1.45 116.57 118.33 2fsh h LYS 434 Ca -0.01 0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.47 2fsh h LYS 434 Cb 1.36 0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 33.28 2fsh h LYS 434 CO 0.09 -0.45 0.24 0.82 -2.27 0.00 0.00 179.45 177.89 2fsh h ILE 435 N -0.70 0.91 -0.79 2.00 1.08 -0.15 0.55 117.51 120.41 2fsh h ILE 435 Ca -0.05 -0.16 0.04 0.00 -0.39 0.00 0.00 64.86 64.29 2fsh h ILE 435 Cb 0.57 0.40 -0.05 0.00 -3.07 0.00 0.00 36.82 34.67 2fsh h ILE 435 CO 0.06 0.09 0.52 1.56 -0.69 0.00 0.00 178.15 179.69 2fsh h GLN 436 N 0.47 0.95 -0.03 2.37 1.08 -1.22 -0.40 115.11 118.33 2fsh h GLN 436 Ca 0.24 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.38 2fsh h GLN 436 Cb 0.19 -0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 27.40 2fsh h GLN 436 CO -0.19 0.63 0.01 0.00 -0.95 0.00 0.00 178.83 178.33 2fsh h ALA 437 N 1.54 0.03 -0.37 3.87 0.00 -0.24 -0.03 119.26 124.06 2fsh h ALA 437 Ca 0.32 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.26 2fsh h ALA 437 Cb 0.05 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 2fsh h ALA 437 CO -0.09 -0.43 0.02 0.82 0.00 0.00 0.00 179.25 179.57 2fsh h ILE 438 N -0.03 0.75 -0.43 0.00 2.04 -0.26 -2.03 117.51 117.55 2fsh h ILE 438 Ca 0.01 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 2fsh h ILE 438 Cb 0.07 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 2fsh h ILE 438 CO -0.00 0.02 0.26 0.40 0.00 0.00 0.00 178.15 178.83 2fsh h ILE 439 N 0.13 1.14 -0.22 -0.67 1.08 -1.07 -1.56 117.51 116.34 2fsh h ILE 439 Ca 0.18 -0.31 -0.06 0.00 -0.39 0.00 0.00 64.86 64.28 2fsh h ILE 439 Cb 0.24 0.57 -0.01 0.00 -3.07 0.00 0.00 36.82 34.55 2fsh h ILE 439 CO -0.28 0.14 -0.13 -0.08 -0.69 0.00 0.00 178.15 177.10 2fsh h GLU 440 N 0.57 0.36 0.07 2.37 4.57 -0.72 -1.26 114.58 120.54 2fsh h GLU 440 Ca 0.15 -0.09 -0.00 0.00 -1.18 0.00 0.00 59.36 58.24 2fsh h GLU 440 Cb -0.00 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 2fsh h GLU 440 CO -0.03 0.49 -0.03 0.22 -1.18 0.00 0.00 179.01 178.48 2fsh h ASP 441 N 0.33 -0.08 -0.40 1.04 3.58 -0.93 -1.24 116.42 118.72 2fsh h ASP 441 Ca 0.06 -0.22 0.06 0.00 0.42 0.00 0.00 57.03 57.35 2fsh h ASP 441 Cb 0.44 0.02 -0.05 0.00 1.72 0.00 0.00 39.33 41.45 2fsh h ASP 441 CO 0.03 0.18 0.08 0.40 -2.88 0.00 0.00 179.24 177.04 2fsh h ILE 442 N -0.35 0.79 -0.20 2.25 2.04 -1.17 0.86 117.51 121.74 2fsh h ILE 442 Ca -0.01 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.80 2fsh h ILE 442 Cb 0.30 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 2fsh h ILE 442 CO 0.02 0.04 0.05 0.50 0.00 0.00 0.00 178.15 178.76 2fsh h LYS 443 N 0.21 0.14 0.17 2.37 3.64 -1.17 0.75 116.57 122.68 2fsh h LYS 443 Ca 0.19 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 2fsh h LYS 443 Cb 0.23 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2fsh h LYS 443 CO -0.25 0.09 -0.08 0.93 -2.27 0.00 0.00 179.45 177.86 2fsh h GLU 444 N 0.14 -0.22 -0.10 1.90 5.08 -0.72 -2.60 114.58 118.06 2fsh h GLU 444 Ca 0.09 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2fsh h GLU 444 Cb 0.07 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 2fsh h GLU 444 CO -0.10 -0.09 0.03 0.00 -1.00 0.00 0.00 179.01 177.85 2fsh h ARG 445 N -0.30 0.16 -0.92 2.33 3.08 -0.58 -3.20 114.38 114.95 2fsh h ARG 445 Ca -0.02 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.04 2fsh h ARG 445 Cb 0.23 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.20 2fsh h ARG 445 CO 0.04 0.31 0.60 1.79 -1.07 0.00 0.00 179.97 181.64 2fsh h THR 446 N -0.02 1.12 -0.25 2.04 1.35 -0.89 -0.19 112.91 116.06 2fsh h THR 446 Ca 0.03 -0.38 0.07 0.00 -0.55 0.00 0.00 66.41 65.59 2fsh h THR 446 Cb 0.21 -0.08 -0.01 0.00 -1.73 0.00 0.00 68.15 66.54 2fsh h THR 446 CO -0.00 0.20 0.30 0.00 -0.25 0.00 0.00 175.52 175.77 2fsh h ALA 447 N 1.48 1.87 -0.01 6.62 0.00 -1.48 -0.47 119.26 127.26 2fsh h ALA 447 Ca 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2fsh h ALA 447 Cb 0.10 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2fsh h ALA 447 CO -0.13 -0.43 -0.21 1.63 0.00 0.00 0.00 179.25 180.12 2fsh n LYS 448 N -3.68 1.32 -0.06 0.00 5.02 -0.11 -4.94 118.16 115.71 2fsh n LYS 448 Ca 0.03 -0.91 0.00 0.00 -2.02 0.00 0.00 58.31 55.42 2fsh n LYS 448 Cb 0.43 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 2fsh n LYS 448 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2fsh n GLY 449 N 1.32 0.69 3.71 0.72 0.00 -0.18 -4.77 105.19 106.69 2fsh n GLY 449 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 2fsh n GLY 449 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2fsh s GLN 450 N -0.94 4.44 0.52 1.61 0.74 -1.03 -1.32 119.66 123.68 2fsh s GLN 450 Ca 0.00 0.91 -0.17 0.00 0.05 0.00 0.00 55.36 56.15 2fsh s GLN 450 Cb 0.00 -3.45 -0.07 0.00 1.10 0.00 0.00 33.01 30.58 2fsh s GLN 450 CO 0.00 0.04 1.00 -1.25 -0.55 0.00 0.00 175.29 174.53 2fsh s PRO 451 N 0.87 3.82 -0.01 1.67 0.04 -1.26 -3.65 135.00 136.49 2fsh s PRO 451 Ca 0.38 1.06 0.03 0.00 0.04 0.00 0.00 61.00 62.51 2fsh s PRO 451 Cb -0.18 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 32.24 2fsh s PRO 451 CO 0.18 -0.38 -0.11 0.08 0.04 0.00 0.00 177.00 176.81 2fsh s VAL 452 N -2.50 0.88 -0.15 -0.36 1.01 0.55 -2.06 120.40 117.77 2fsh s VAL 452 Ca 0.61 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 62.13 2fsh s VAL 452 Cb -0.12 -0.74 0.01 0.00 0.00 0.00 0.00 36.38 35.53 2fsh s VAL 452 CO 0.30 0.25 -0.19 -0.22 0.00 0.00 0.00 175.10 175.24 2fsh s LEU 453 N -0.23 2.26 -0.21 3.92 2.96 -0.41 -1.85 118.68 125.12 2fsh s LEU 453 Ca 0.04 -0.55 -0.04 0.00 -0.22 0.00 0.00 54.13 53.36 2fsh s LEU 453 Cb -0.05 -1.49 -0.01 0.00 0.50 0.00 0.00 46.19 45.14 2fsh s LEU 453 CO -0.00 0.08 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.38 2fsh s VAL 454 N 0.82 3.42 -0.14 1.68 1.01 0.12 -0.82 120.40 126.49 2fsh s VAL 454 Ca -0.06 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 2fsh s VAL 454 Cb -0.15 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 2fsh s VAL 454 CO -0.01 0.43 0.23 -0.83 0.00 0.00 0.00 175.10 174.91 2fsh s GLY 455 N 1.39 2.19 0.41 4.51 0.00 0.39 0.35 107.32 116.55 2fsh s GLY 455 Ca 0.05 -0.53 0.05 0.00 0.00 0.00 0.00 44.72 44.29 2fsh s GLY 455 CO -0.02 0.10 0.03 -0.51 0.00 0.00 0.00 173.10 172.69 2fsh s THR 456 N -0.19 1.52 -1.74 0.90 -4.23 -0.40 -1.33 115.64 110.17 2fsh s THR 456 Ca 0.15 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.89 2fsh s THR 456 Cb -0.13 -2.74 -0.05 0.00 1.34 0.00 0.00 72.50 70.92 2fsh s THR 456 CO 0.04 0.00 1.07 2.30 -0.54 0.00 0.00 174.62 177.49 2fsh n ILE 457 N -0.95 0.00 -3.62 2.99 -6.64 -1.26 -1.14 119.36 108.73 2fsh n ILE 457 Ca -0.07 -0.18 -0.10 0.00 -1.77 0.00 0.00 62.75 60.62 2fsh n ILE 457 Cb 0.67 1.13 -0.04 0.00 -1.44 0.00 0.00 39.64 39.95 2fsh n ILE 457 CO 0.00 0.00 0.00 -0.94 -1.77 0.00 0.00 176.55 173.84 2fsh s SER 458 N -2.62 -0.26 0.18 7.28 1.04 -1.26 -4.60 113.70 113.45 2fsh s SER 458 Ca 0.16 -0.31 -0.13 0.00 0.48 0.00 0.00 55.95 56.16 2fsh s SER 458 Cb 0.18 0.49 0.14 0.00 0.10 0.00 0.00 66.02 66.93 2fsh s SER 458 CO 0.65 -0.88 1.79 0.40 0.98 0.00 0.00 173.24 176.19 2fsh h ILE 459 N 2.32 0.97 -0.49 -1.02 2.04 -1.96 0.49 117.51 119.86 2fsh h ILE 459 Ca -0.34 -0.18 0.08 0.00 1.00 0.00 0.00 64.86 65.42 2fsh h ILE 459 Cb 1.26 0.39 -0.07 0.00 -0.74 0.00 0.00 36.82 37.67 2fsh h ILE 459 CO 0.46 0.10 0.11 -0.33 0.00 0.00 0.00 178.15 178.48 2fsh h GLU 460 N 0.53 0.24 -0.21 2.37 3.07 -1.99 0.46 114.58 119.06 2fsh h GLU 460 Ca 0.23 -0.01 -0.19 0.00 -0.50 0.00 0.00 59.36 58.89 2fsh h GLU 460 Cb 0.12 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 2fsh h GLU 460 CO -0.15 0.16 -0.62 0.87 -1.40 0.00 0.00 179.01 177.87 2fsh h LYS 461 N 0.25 0.72 -0.50 2.33 6.56 -1.85 -1.44 116.57 122.65 2fsh h LYS 461 Ca 0.25 -0.50 0.08 0.00 -1.06 0.00 0.00 60.65 59.42 2fsh h LYS 461 Cb 0.32 0.07 -0.07 0.00 -0.57 0.00 0.00 32.23 31.99 2fsh h LYS 461 CO -0.31 1.12 0.12 0.77 -2.06 0.00 0.00 179.45 179.08 2fsh h SER 462 N 0.53 0.04 -0.96 0.86 0.02 0.93 -2.48 113.55 112.49 2fsh h SER 462 Ca -0.01 0.08 0.03 0.00 -0.84 0.00 0.00 61.79 61.05 2fsh h SER 462 Cb 1.21 0.11 -0.05 0.00 0.14 0.00 0.00 62.40 63.80 2fsh h SER 462 CO 0.13 0.05 0.63 -0.33 -1.14 0.00 0.00 176.83 176.17 2fsh h GLU 463 N 0.26 1.21 -0.00 3.45 5.08 0.10 -1.92 114.58 122.76 2fsh h GLU 463 Ca 0.25 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2fsh h GLU 463 Cb 0.32 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 2fsh h GLU 463 CO -0.31 0.80 0.00 1.25 -1.00 0.00 0.00 179.01 179.75 2fsh h LEU 464 N 1.25 0.00 -0.76 1.33 5.85 -1.01 0.63 115.31 122.60 2fsh h LEU 464 Ca 0.37 -0.28 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 2fsh h LEU 464 Cb -0.06 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 2fsh h LEU 464 CO -0.11 0.28 -0.07 1.62 -0.34 0.00 0.00 178.44 179.82 2fsh h VAL 465 N -0.27 1.26 0.29 1.05 3.04 -1.37 -1.82 116.25 118.42 2fsh h VAL 465 Ca 0.00 -1.16 -0.00 0.00 -1.01 0.00 0.00 66.70 64.53 2fsh h VAL 465 Cb 0.28 0.96 -0.01 0.00 -2.01 0.00 0.00 31.29 30.50 2fsh h VAL 465 CO 0.00 0.40 -0.24 -1.28 -1.01 0.00 0.00 177.57 175.45 2fsh h SER 466 N 0.79 -0.62 -0.97 3.17 0.87 -1.19 0.22 113.55 115.82 2fsh h SER 466 Ca 0.14 0.05 0.11 0.00 -1.23 0.00 0.00 61.79 60.86 2fsh h SER 466 Cb 0.58 0.20 -0.08 0.00 -0.44 0.00 0.00 62.40 62.66 2fsh h SER 466 CO 0.04 -0.36 0.60 0.78 -0.53 0.00 0.00 176.83 177.36 2fsh h ASN 467 N -0.54 0.89 -0.22 6.23 4.21 -0.88 0.11 115.58 125.39 2fsh h ASN 467 Ca -0.02 0.04 -0.11 0.00 1.21 0.00 0.00 56.30 57.43 2fsh h ASN 467 Cb 0.48 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.53 2fsh h ASN 467 CO -0.02 0.49 -0.22 -0.33 -1.29 0.00 0.00 177.43 176.06 2fsh h GLU 468 N 0.97 0.68 -0.70 0.81 4.39 -1.04 0.59 114.58 120.28 2fsh h GLU 468 Ca 0.47 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.88 2fsh h GLU 468 Cb 0.44 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.02 2fsh h GLU 468 CO -0.25 0.84 0.32 -0.07 -1.16 0.00 0.00 179.01 178.69 2fsh h LEU 469 N 0.60 0.93 -0.37 1.33 3.38 0.45 -1.83 115.31 119.79 2fsh h LEU 469 Ca 0.09 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 2fsh h LEU 469 Cb 0.69 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2fsh h LEU 469 CO 0.05 0.81 -0.05 0.74 0.09 0.00 0.00 178.44 180.09 2fsh h THR 470 N 0.98 1.27 -0.62 0.22 2.02 -0.62 -0.41 112.91 115.75 2fsh h THR 470 Ca 0.24 -1.09 0.11 0.00 0.77 0.00 0.00 66.41 66.45 2fsh h THR 470 Cb 0.14 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 2fsh h THR 470 CO -0.03 0.36 0.42 0.50 0.37 0.00 0.00 175.52 177.15 2fsh h LYS 471 N 0.50 0.36 -0.04 6.66 3.64 -0.77 0.18 116.57 127.10 2fsh h LYS 471 Ca 0.10 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2fsh h LYS 471 Cb 0.54 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2fsh h LYS 471 CO 0.03 0.24 0.00 0.00 -2.27 0.00 0.00 179.45 177.45 2fsh n ALA 472 N -2.53 2.58 -0.89 5.00 0.00 -0.33 -4.94 120.51 119.40 2fsh n ALA 472 Ca 0.11 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2fsh n ALA 472 Cb 0.43 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.67 2fsh n ALA 472 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fsh n GLY 473 N 1.13 0.52 3.42 0.00 0.00 0.63 -5.01 105.19 105.88 2fsh n GLY 473 Ca 0.19 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 44.95 2fsh n GLY 473 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2fsh s ILE 474 N -2.00 4.54 0.33 -0.61 1.01 -0.46 -4.99 121.20 119.02 2fsh s ILE 474 Ca 0.00 -0.53 -0.27 0.00 0.00 0.00 0.00 60.65 59.84 2fsh s ILE 474 Cb 0.00 -3.37 -0.09 0.00 0.01 0.00 0.00 42.46 39.01 2fsh s ILE 474 CO 0.00 0.00 1.10 -0.54 0.00 0.00 0.00 174.94 175.51 2fsh s LYS 475 N 1.59 4.41 0.24 2.79 1.02 -1.26 -4.19 119.74 124.35 2fsh s LYS 475 Ca 0.04 1.75 -0.22 0.00 0.02 0.00 0.00 55.97 57.56 2fsh s LYS 475 Cb -0.17 -2.93 0.04 0.00 -0.52 0.00 0.00 37.83 34.25 2fsh s LYS 475 CO 0.06 0.02 0.83 -3.38 -0.92 0.00 0.00 175.35 171.96 2fsh s HIS 476 N -1.33 -0.12 0.03 3.18 -3.43 -1.26 -4.34 115.29 108.02 2fsh s HIS 476 Ca 0.50 -0.31 0.06 0.00 -0.80 0.00 0.00 55.06 54.51 2fsh s HIS 476 Cb -0.29 0.70 -0.02 0.00 -1.43 0.00 0.00 32.58 31.53 2fsh s HIS 476 CO 0.37 -1.12 -0.16 -0.80 -2.00 0.00 0.00 174.74 171.04 2fsh s ASN 477 N -2.97 1.91 -0.08 7.38 -0.87 0.14 -5.01 114.94 115.44 2fsh s ASN 477 Ca 0.12 -0.45 -0.14 0.00 -1.57 0.00 0.00 52.86 50.82 2fsh s ASN 477 Cb -0.04 -0.15 -0.05 0.00 -0.02 0.00 0.00 41.25 40.99 2fsh s ASN 477 CO 0.06 0.09 0.36 -0.69 -2.57 0.00 0.00 177.10 174.34 2fsh s VAL 478 N -0.77 5.19 -0.46 1.60 1.01 -1.26 -0.92 120.40 124.78 2fsh s VAL 478 Ca 0.04 0.70 -0.29 0.00 0.00 0.00 0.00 61.98 62.43 2fsh s VAL 478 Cb -0.08 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.65 2fsh s VAL 478 CO 0.01 0.48 1.29 -0.76 0.00 0.00 0.00 175.10 176.12 2fsh s LEU 479 N -0.29 3.58 -0.36 3.92 1.43 0.73 -4.89 118.68 122.79 2fsh s LEU 479 Ca 0.21 0.59 -0.13 0.00 -1.03 0.00 0.00 54.13 53.77 2fsh s LEU 479 Cb -0.15 -3.48 0.00 0.00 0.03 0.00 0.00 46.19 42.59 2fsh s LEU 479 CO 0.09 -1.39 0.23 0.21 0.23 0.00 0.00 176.35 175.72 2fsh s ASN 480 N 3.34 5.92 0.42 2.29 3.84 -1.26 -4.52 114.94 124.98 2fsh s ASN 480 Ca 0.54 -0.67 0.25 0.00 0.21 0.00 0.00 52.86 53.20 2fsh s ASN 480 Cb -0.10 -2.10 1.38 0.00 -0.55 0.00 0.00 41.25 39.88 2fsh s ASN 480 CO 0.31 -0.31 1.76 0.00 -2.79 0.00 0.00 177.10 176.07 2fsh h ALA 481 N 8.49 1.06 0.00 1.71 0.00 -1.98 0.33 119.26 128.88 2fsh h ALA 481 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2fsh h ALA 481 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2fsh h ALA 481 CO 0.66 -0.06 0.00 0.87 0.00 0.00 0.00 179.25 180.72 2fsh h LYS 482 N 0.00 0.00 -2.84 0.00 1.57 -2.03 -3.40 116.57 109.87 2fsh h LYS 482 Ca 0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 2fsh h LYS 482 Cb 0.16 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.07 2fsh h LYS 482 CO 0.00 0.00 -0.72 -0.06 -0.57 0.00 0.00 179.45 178.10 2fsh s PHE 483 N -3.36 2.66 0.19 -1.35 0.08 0.12 -4.97 117.98 111.34 2fsh s PHE 483 Ca 0.05 -2.95 -0.10 0.00 0.12 0.00 0.00 56.93 54.05 2fsh s PHE 483 Cb 0.08 -2.07 0.11 0.00 -0.57 0.00 0.00 43.02 40.57 2fsh s PHE 483 CO 0.57 -0.65 1.75 0.45 -0.10 0.00 0.00 175.22 177.23 2fsh h HIS 484 N 5.56 1.04 -0.43 0.36 3.86 -1.80 -1.14 115.15 122.60 2fsh h HIS 484 Ca 0.17 -0.08 -0.05 0.00 -1.16 0.00 0.00 60.37 59.26 2fsh h HIS 484 Cb 0.82 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.96 2fsh h HIS 484 CO 0.53 0.81 0.09 0.00 0.86 0.00 0.00 177.93 180.23 2fsh h ALA 485 N 1.12 0.57 -0.99 2.45 0.00 -1.95 -0.24 119.26 120.23 2fsh h ALA 485 Ca 0.23 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.97 2fsh h ALA 485 Cb 0.22 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 2fsh h ALA 485 CO -0.02 0.27 0.64 -0.91 0.00 0.00 0.00 179.25 179.24 2fsh h ASN 486 N 0.57 1.06 0.02 0.00 2.35 -1.86 -2.38 115.58 115.34 2fsh h ASN 486 Ca 0.13 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2fsh h ASN 486 Cb 0.34 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2fsh h ASN 486 CO 0.00 0.71 -0.01 -0.33 -1.65 0.00 0.00 177.43 176.15 2fsh h GLU 487 N 1.22 -0.02 -0.78 0.81 5.08 0.11 -0.50 114.58 120.49 2fsh h GLU 487 Ca 0.40 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.74 2fsh h GLU 487 Cb 0.06 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 2fsh h GLU 487 CO -0.14 0.13 0.39 0.00 -1.00 0.00 0.00 179.01 178.38 2fsh h ALA 488 N 0.81 1.21 -0.47 3.43 0.00 -0.99 0.00 119.26 123.24 2fsh h ALA 488 Ca -0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2fsh h ALA 488 Cb 0.16 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2fsh h ALA 488 CO 0.00 0.61 0.20 0.00 0.00 0.00 0.00 179.25 180.07 2fsh h ALA 489 N 1.32 1.47 0.04 0.00 0.00 -1.28 -1.16 119.26 119.65 2fsh h ALA 489 Ca 0.27 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2fsh h ALA 489 Cb 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2fsh h ALA 489 CO -0.04 0.41 -0.02 0.82 0.00 0.00 0.00 179.25 180.43 2fsh h ILE 490 N 0.67 1.35 -0.98 0.00 2.04 -0.34 -3.21 117.51 117.04 2fsh h ILE 490 Ca 0.17 -1.68 0.20 0.00 1.00 0.00 0.00 64.86 64.54 2fsh h ILE 490 Cb 0.11 2.40 -0.11 0.00 -0.74 0.00 0.00 36.82 38.48 2fsh h ILE 490 CO -0.02 0.40 0.57 0.58 0.00 0.00 0.00 178.15 179.69 2fsh h VAL 491 N -0.85 0.65 -0.42 1.67 2.07 -0.99 -0.94 116.25 117.45 2fsh h VAL 491 Ca -0.00 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.33 2fsh h VAL 491 Cb 0.69 -0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 2fsh h VAL 491 CO 0.01 0.12 0.17 0.00 0.02 0.00 0.00 177.57 177.89 2fsh h ALA 492 N 1.66 0.50 -0.65 1.67 0.00 -1.24 -2.80 119.26 118.41 2fsh h ALA 492 Ca 0.58 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.53 2fsh h ALA 492 Cb 0.96 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2fsh h ALA 492 CO -0.41 -0.21 0.00 1.04 0.00 0.00 0.00 179.25 179.67 2fsh n GLN 493 N -4.98 3.42 0.29 0.00 1.13 -0.77 -3.33 117.38 113.14 2fsh n GLN 493 Ca 0.03 -2.71 0.19 0.00 -1.94 0.00 0.00 57.00 52.57 2fsh n GLN 493 Cb 0.14 -1.81 1.04 0.00 0.11 0.00 0.00 30.24 29.72 2fsh n GLN 493 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2fsh h ALA 494 N 4.15 1.02 -0.64 -1.58 0.00 -0.92 -1.04 119.26 120.24 2fsh h ALA 494 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2fsh h ALA 494 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2fsh h ALA 494 CO 0.18 -0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.82 2fsh n GLY 495 N -1.14 2.67 3.78 0.00 0.00 -1.25 -4.58 105.19 104.67 2fsh n GLY 495 Ca -0.03 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.86 2fsh n GLY 495 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2fsh s TYR 496 N -1.33 3.17 -0.15 1.61 6.14 -0.40 0.34 117.35 126.73 2fsh s TYR 496 Ca 0.46 1.62 -0.42 0.00 0.64 0.00 0.00 57.07 59.37 2fsh s TYR 496 Cb 0.27 -3.16 -0.20 0.00 0.42 0.00 0.00 41.96 39.29 2fsh s TYR 496 CO 0.28 -0.79 1.27 -2.30 0.64 0.00 0.00 175.55 174.64 2fsh n PRO 497 N -0.25 0.11 -1.09 4.97 -0.02 -1.26 -1.76 135.00 135.70 2fsh n PRO 497 Ca 0.06 0.04 -0.03 0.00 -2.02 0.00 0.00 63.50 61.55 2fsh n PRO 497 Cb 0.50 -1.55 -0.01 0.00 -0.02 0.00 0.00 33.50 32.41 2fsh n PRO 497 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fsh n ALA 498 N 2.44 -0.05 -1.76 3.55 0.00 -0.43 -4.87 120.51 119.40 2fsh n ALA 498 Ca 0.23 0.05 -0.38 0.00 0.00 0.00 0.00 53.44 53.35 2fsh n ALA 498 Cb 0.05 -1.41 0.02 0.00 0.00 0.00 0.00 19.45 18.11 2fsh n ALA 498 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fsh s ALA 499 N -1.37 2.83 -0.04 0.00 0.00 -0.72 -4.84 121.76 117.61 2fsh s ALA 499 Ca 0.00 1.16 -0.01 0.00 0.00 0.00 0.00 51.96 53.11 2fsh s ALA 499 Cb 0.00 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.66 2fsh s ALA 499 CO 0.00 -1.11 0.02 0.08 0.00 0.00 0.00 175.76 174.75 2fsh s VAL 500 N -1.42 0.13 -0.05 0.00 1.01 -1.26 -0.33 120.40 118.48 2fsh s VAL 500 Ca 0.70 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.92 2fsh s VAL 500 Cb -0.35 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 35.74 2fsh s VAL 500 CO 0.41 0.18 -0.14 -0.89 0.00 0.00 0.00 175.10 174.67 2fsh s THR 501 N 1.63 1.23 -0.17 3.92 2.01 -0.77 0.25 115.64 123.73 2fsh s THR 501 Ca -0.01 -0.57 -0.02 0.00 0.31 0.00 0.00 61.69 61.40 2fsh s THR 501 Cb -0.13 -1.09 -0.01 0.00 0.01 0.00 0.00 72.50 71.29 2fsh s THR 501 CO -0.03 0.37 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.54 2fsh s ILE 502 N 0.33 3.12 -0.02 1.82 -1.09 -0.10 0.10 121.20 125.36 2fsh s ILE 502 Ca -0.09 -0.61 0.07 0.00 -2.23 0.00 0.00 60.65 57.80 2fsh s ILE 502 Cb -0.13 -2.36 -0.02 0.00 -1.58 0.00 0.00 42.46 38.37 2fsh s ILE 502 CO 0.03 0.48 -0.24 0.00 -1.23 0.00 0.00 174.94 173.98 2fsh s ALA 503 N 0.90 1.99 -0.19 9.38 0.00 0.15 -0.20 121.76 133.80 2fsh s ALA 503 Ca -0.02 -1.03 -0.07 0.00 0.00 0.00 0.00 51.96 50.83 2fsh s ALA 503 Cb -0.15 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 2fsh s ALA 503 CO 0.00 0.49 0.06 0.99 0.00 0.00 0.00 175.76 177.30 2fsh s THR 504 N -0.55 4.71 -0.99 0.00 2.01 -1.26 -1.28 115.64 118.28 2fsh s THR 504 Ca 0.09 -0.06 -0.27 0.00 0.31 0.00 0.00 61.69 61.76 2fsh s THR 504 Cb -0.09 -3.13 0.04 0.00 0.01 0.00 0.00 72.50 69.33 2fsh s THR 504 CO -0.01 0.45 0.56 0.59 -0.69 0.00 0.00 174.62 175.52 2fsh n ASN 505 N 3.67 -3.47 -4.53 3.53 3.02 -0.29 -4.77 115.26 112.41 2fsh n ASN 505 Ca -0.16 -1.08 -0.52 0.00 -0.03 0.00 0.00 54.58 52.79 2fsh n ASN 505 Cb 0.52 -1.32 -0.05 0.00 -0.61 0.00 0.00 39.78 38.32 2fsh n ASN 505 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2fsh n MET 506 N -4.25 0.68 -0.20 3.52 2.81 -1.26 -4.97 117.12 113.44 2fsh n MET 506 Ca -0.11 0.24 -0.15 0.00 -1.81 0.00 0.00 57.70 55.87 2fsh n MET 506 Cb 0.48 -1.68 0.15 0.00 -0.71 0.00 0.00 33.22 31.46 2fsh n MET 506 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2fsh n ALA 507 N 1.37 -2.49 -1.98 3.04 0.00 -1.26 -4.88 120.51 114.31 2fsh n ALA 507 Ca 0.17 -0.79 -0.34 0.00 0.00 0.00 0.00 53.44 52.48 2fsh n ALA 507 Cb 0.20 -0.07 -0.06 0.00 0.00 0.00 0.00 19.45 19.51 2fsh n ALA 507 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2fsh s GLY 508 N -2.76 2.44 0.00 0.00 0.00 -1.26 -4.61 107.32 101.13 2fsh s GLY 508 Ca 0.35 0.24 0.00 0.00 0.00 0.00 0.00 44.72 45.30 2fsh s GLY 508 CO 0.28 0.52 0.00 -0.96 0.00 0.00 0.00 173.10 172.94 2fsh n ARG 509 N -0.21 0.00 -0.81 2.90 1.85 -1.26 -4.93 116.66 114.20 2fsh n ARG 509 Ca 0.04 0.00 0.06 0.00 -1.00 0.00 0.00 57.85 56.95 2fsh n ARG 509 Cb 0.53 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.91 2fsh n ARG 509 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2fsh n GLY 510 N 0.00 -0.95 3.68 2.89 0.00 -1.26 -4.60 105.19 104.94 2fsh n GLY 510 Ca 0.00 -0.33 -0.45 0.00 0.00 0.00 0.00 46.02 45.23 2fsh n GLY 510 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2fsh n THR 511 N -3.08 0.05 -1.57 2.61 -1.04 -1.26 -4.97 114.28 105.03 2fsh n THR 511 Ca -0.02 -0.01 -0.44 0.00 -2.04 0.00 0.00 64.05 61.54 2fsh n THR 511 Cb 0.40 -1.64 -0.01 0.00 -1.82 0.00 0.00 70.33 67.26 2fsh n THR 511 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2fsh n ASP 512 N 3.77 0.95 -4.42 8.00 9.92 -1.26 -4.97 116.55 128.53 2fsh n ASP 512 Ca 0.17 1.14 -0.38 0.00 -0.53 0.00 0.00 54.79 55.19 2fsh n ASP 512 Cb 0.30 -1.26 -0.12 0.00 -0.64 0.00 0.00 41.12 39.40 2fsh n ASP 512 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2fsh s ILE 513 N -1.11 4.49 -0.14 0.53 1.01 -1.26 -4.94 121.20 119.78 2fsh s ILE 513 Ca 0.60 -0.45 -0.24 0.00 0.00 0.00 0.00 60.65 60.56 2fsh s ILE 513 Cb -0.70 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 38.47 2fsh s ILE 513 CO 0.59 0.08 0.75 -0.69 0.00 0.00 0.00 174.94 175.68 2fsh s VAL 514 N 1.60 4.96 0.24 2.92 1.01 -1.26 -4.89 120.40 124.96 2fsh s VAL 514 Ca 0.04 1.48 -0.30 0.00 0.00 0.00 0.00 61.98 63.20 2fsh s VAL 514 Cb -0.17 -4.07 -0.10 0.00 0.00 0.00 0.00 36.38 32.04 2fsh s VAL 514 CO 0.05 0.11 1.47 -0.76 0.00 0.00 0.00 175.10 175.98 2fsh s LEU 515 N 1.71 4.38 0.00 3.92 1.43 -1.26 -2.43 118.68 126.42 2fsh s LEU 515 Ca 0.36 2.67 0.00 0.00 -1.03 0.00 0.00 54.13 56.13 2fsh s LEU 515 Cb -0.17 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.43 2fsh s LEU 515 CO 0.14 -0.74 0.00 0.61 0.23 0.00 0.00 176.35 176.59 2fsh n GLY 516 N 2.49 1.32 0.00 -3.19 0.00 0.15 -4.40 105.19 101.55 2fsh n GLY 516 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2fsh n GLY 516 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fsh n GLY 517 N -2.00 2.16 3.66 -0.02 0.00 -1.02 -4.55 105.19 103.42 2fsh n GLY 517 Ca 0.00 -1.96 -0.39 0.00 0.00 0.00 0.00 46.02 43.67 2fsh n GLY 517 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2fsh s SER 518 N 0.00 6.56 0.05 1.61 1.04 -1.21 -4.74 113.70 117.02 2fsh s SER 518 Ca 0.00 0.68 0.25 0.00 0.48 0.00 0.00 55.95 57.36 2fsh s SER 518 Cb 0.00 -2.29 0.51 0.00 0.10 0.00 0.00 66.02 64.33 2fsh s SER 518 CO 0.00 -0.19 1.42 -2.67 0.98 0.00 0.00 173.24 172.79 2fsh n TRP 519 N 4.81 0.26 0.12 5.02 4.27 -1.26 -3.86 117.44 126.79 2fsh n TRP 519 Ca -0.05 0.07 -0.18 0.00 -3.89 0.00 0.00 57.50 53.45 2fsh n TRP 519 Cb 0.50 -0.46 -0.14 0.00 -1.36 0.00 0.00 31.31 29.85 2fsh n TRP 519 CO 0.00 0.00 0.00 1.96 -2.29 0.00 0.00 177.69 177.36 2fsh h GLN 520 N 0.00 0.35 -0.83 -2.67 4.20 -2.00 -2.61 115.11 111.56 2fsh h GLN 520 Ca 0.00 -0.60 0.19 0.00 0.06 0.00 0.00 58.65 58.31 2fsh h GLN 520 Cb 0.61 0.22 -0.05 0.00 0.30 0.00 0.00 27.48 28.56 2fsh h GLN 520 CO 0.00 1.29 0.56 0.00 -0.67 0.00 0.00 178.83 180.01 2fsh h ALA 521 N 0.46 2.31 -0.13 3.87 0.00 -1.99 0.14 119.26 123.92 2fsh h ALA 521 Ca -0.17 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.53 2fsh h ALA 521 Cb 2.02 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.81 2fsh h ALA 521 CO 0.22 -0.56 -0.77 0.93 0.00 0.00 0.00 179.25 179.07 2fsh h GLU 522 N 0.31 0.69 0.14 0.00 5.08 -1.58 -2.04 114.58 117.18 2fsh h GLU 522 Ca 0.42 -0.57 -0.21 0.00 -1.00 0.00 0.00 59.36 58.00 2fsh h GLU 522 Cb 1.16 0.12 0.02 0.00 0.50 0.00 0.00 28.75 30.55 2fsh h GLU 522 CO -0.12 1.18 -0.90 -0.39 -1.00 0.00 0.00 179.01 177.78 2fsh h VAL 523 N 0.47 1.46 -0.81 3.13 -1.51 -1.34 -3.02 116.25 114.63 2fsh h VAL 523 Ca -0.05 -2.50 0.29 0.00 -1.23 0.00 0.00 66.70 63.21 2fsh h VAL 523 Cb 1.39 3.09 -0.15 0.00 -2.13 0.00 0.00 31.29 33.49 2fsh h VAL 523 CO 0.15 0.72 0.26 0.00 -1.23 0.00 0.00 177.57 177.47 2fsh n ALA 524 N -2.67 0.65 0.01 5.19 0.00 0.47 0.11 120.51 124.27 2fsh n ALA 524 Ca -0.14 0.84 -0.13 0.00 0.00 0.00 0.00 53.44 54.02 2fsh n ALA 524 Cb 0.85 -0.74 -0.09 0.00 0.00 0.00 0.00 19.45 19.47 2fsh n ALA 524 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fsh h ALA 525 N 1.61 -0.00 -1.31 0.00 0.00 -1.39 -3.45 119.26 114.71 2fsh h ALA 525 Ca 0.60 -0.16 -0.70 0.00 0.00 0.00 0.00 54.91 54.65 2fsh h ALA 525 Cb 1.47 0.00 0.08 0.00 0.00 0.00 0.00 17.79 19.34 2fsh h ALA 525 CO -0.68 -0.34 0.01 1.28 0.00 0.00 0.00 179.25 179.51 2fsh n LEU 526 N -4.94 0.33 0.07 0.00 4.77 0.29 -4.90 117.00 112.63 2fsh n LEU 526 Ca -0.08 1.14 0.04 0.00 -0.03 0.00 0.00 56.01 57.08 2fsh n LEU 526 Cb 0.17 -1.05 -0.04 0.00 -2.33 0.00 0.00 43.42 40.18 2fsh n LEU 526 CO 0.33 -1.92 -0.07 -0.33 -1.33 0.00 0.00 177.39 174.08 2fsh h GLU 527 N 2.68 0.00 -2.21 3.23 5.08 -1.88 -3.40 114.58 118.08 2fsh h GLU 527 Ca -0.42 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.40 2fsh h GLU 527 Cb 1.40 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.29 2fsh h GLU 527 CO 0.65 0.23 -0.91 1.21 -1.00 0.00 0.00 179.01 179.19 2fsh s ASN 528 N -5.78 1.16 0.17 1.42 2.47 -1.26 -5.14 114.94 107.98 2fsh s ASN 528 Ca -0.01 -2.83 -0.30 0.00 0.42 0.00 0.00 52.86 50.14 2fsh s ASN 528 Cb 0.09 -0.14 -0.08 0.00 -1.45 0.00 0.00 41.25 39.67 2fsh s ASN 528 CO 0.79 -0.17 1.20 -2.84 -3.72 0.00 0.00 177.10 172.36 2fsh s PRO 529 N 0.25 4.49 -0.28 0.43 0.02 -1.26 -5.04 135.00 133.61 2fsh s PRO 529 Ca 0.31 1.86 0.00 0.00 0.02 0.00 0.00 61.00 63.20 2fsh s PRO 529 Cb 0.01 -3.25 0.14 0.00 0.02 0.00 0.00 34.50 31.43 2fsh s PRO 529 CO -0.17 -0.10 0.35 -0.08 -0.33 0.00 0.00 177.00 176.67 2fsh s THR 530 N 0.06 -0.52 0.00 0.99 -1.32 -1.26 -5.00 115.64 108.59 2fsh s THR 530 Ca 0.53 -0.35 0.00 0.00 -1.21 0.00 0.00 61.69 60.67 2fsh s THR 530 Cb -0.32 -0.96 0.00 0.00 -1.51 0.00 0.00 72.50 69.71 2fsh s THR 530 CO 0.36 -0.34 0.00 0.00 -2.21 0.00 0.00 174.62 172.43 2fsh n ALA 531 N 5.34 0.00 0.00 11.08 0.00 -1.26 0.25 120.51 135.92 2fsh n ALA 531 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2fsh n ALA 531 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2fsh n ALA 531 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2fsh n GLU 532 N 14.00 0.00 0.49 0.00 4.71 -1.26 0.10 120.64 138.68 2fsh n GLU 532 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.16 56.95 2fsh n GLU 532 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 31.44 30.33 2fsh n GLU 532 CO 0.00 0.00 0.00 0.37 0.09 0.00 0.00 177.13 177.59 2fsh h GLN 533 N 0.00 -1.20 0.00 3.49 4.15 -0.63 -1.34 115.11 119.58 2fsh h GLN 533 Ca 0.00 0.08 0.03 0.00 0.77 0.00 0.00 58.65 59.53 2fsh h GLN 533 Cb 0.00 0.27 -0.05 0.00 0.21 0.00 0.00 27.48 27.92 2fsh h GLN 533 CO 0.00 -0.80 -0.26 -0.84 -1.93 0.00 0.00 178.83 174.99 2fsh h ILE 534 N -1.25 0.40 -0.87 2.39 3.07 0.54 -2.66 117.51 119.13 2fsh h ILE 534 Ca -0.13 0.00 0.11 0.00 1.55 0.00 0.00 64.86 66.39 2fsh h ILE 534 Cb 0.96 0.40 -0.08 0.00 -0.27 0.00 0.00 36.82 37.83 2fsh h ILE 534 CO 0.20 0.00 0.51 -0.08 -1.05 0.00 0.00 178.15 177.73 2fsh h GLU 535 N -0.41 0.79 -0.89 0.16 4.57 -1.12 0.59 114.58 118.27 2fsh h GLU 535 Ca 0.06 -0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.22 2fsh h GLU 535 Cb 0.49 -0.18 -0.05 0.00 -0.16 0.00 0.00 28.75 28.85 2fsh h GLU 535 CO -0.23 0.52 0.58 -0.22 -1.18 0.00 0.00 179.01 178.48 2fsh h LYS 536 N 0.81 1.11 0.07 1.92 1.63 -1.17 -1.25 116.57 119.70 2fsh h LYS 536 Ca 0.43 -0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 60.16 2fsh h LYS 536 Cb 0.45 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 2fsh h LYS 536 CO -0.27 0.74 -0.03 0.82 -3.45 0.00 0.00 179.45 177.25 2fsh h ILE 537 N 1.15 1.09 -0.93 2.00 2.04 0.43 -0.83 117.51 122.46 2fsh h ILE 537 Ca 0.34 -0.54 0.06 0.00 1.00 0.00 0.00 64.86 65.73 2fsh h ILE 537 Cb -0.05 1.44 -0.06 0.00 -0.74 0.00 0.00 36.82 37.41 2fsh h ILE 537 CO -0.10 0.13 0.60 0.11 0.00 0.00 0.00 178.15 178.90 2fsh h LYS 538 N -0.33 1.03 0.05 2.37 1.79 -0.90 0.23 116.57 120.81 2fsh h LYS 538 Ca -0.01 -0.06 -0.14 0.00 -2.18 0.00 0.00 60.65 58.26 2fsh h LYS 538 Cb 0.29 -0.23 0.01 0.00 -1.58 0.00 0.00 32.23 30.72 2fsh h LYS 538 CO 0.02 0.68 -0.56 0.00 -1.08 0.00 0.00 179.45 178.51 2fsh h ALA 539 N 1.50 0.01 -0.83 3.86 0.00 -1.03 0.53 119.26 123.29 2fsh h ALA 539 Ca 0.40 -0.59 0.12 0.00 0.00 0.00 0.00 54.91 54.85 2fsh h ALA 539 Cb 0.19 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 2fsh h ALA 539 CO -0.15 0.28 0.54 -0.44 0.00 0.00 0.00 179.25 179.48 2fsh h ASP 540 N -0.33 0.63 -0.16 0.00 3.32 -1.08 -2.94 116.42 115.85 2fsh h ASP 540 Ca -0.08 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 2fsh h ASP 540 Cb 1.34 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.78 2fsh h ASP 540 CO 0.11 0.34 -0.10 -0.25 -1.72 0.00 0.00 179.24 177.63 2fsh h TRP 541 N 0.68 0.41 -1.02 4.55 7.01 -0.19 -2.99 115.95 124.40 2fsh h TRP 541 Ca 0.40 -0.11 0.25 0.00 2.11 0.00 0.00 58.89 61.55 2fsh h TRP 541 Cb 0.61 -0.09 -0.12 0.00 -2.10 0.00 0.00 29.16 27.46 2fsh h TRP 541 CO -0.00 0.69 0.62 0.37 -2.79 0.00 0.00 178.44 177.32 2fsh h GLN 542 N 0.02 0.52 -0.43 2.65 5.75 -0.72 0.45 115.11 123.34 2fsh h GLN 542 Ca 0.03 -0.03 -0.14 0.00 -0.15 0.00 0.00 58.65 58.36 2fsh h GLN 542 Cb 0.59 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.01 2fsh h GLN 542 CO 0.03 0.34 -0.28 0.28 -2.65 0.00 0.00 178.83 176.55 2fsh h VAL 543 N 0.53 1.27 -0.11 2.39 2.07 -1.52 -1.79 116.25 119.09 2fsh h VAL 543 Ca 0.64 -1.45 -0.21 0.00 0.82 0.00 0.00 66.70 66.50 2fsh h VAL 543 Cb 1.31 1.23 0.01 0.00 -1.52 0.00 0.00 31.29 32.33 2fsh h VAL 543 CO -0.43 0.49 -0.76 0.03 0.02 0.00 0.00 177.57 176.92 2fsh h ARG 544 N 0.80 0.70 -0.50 1.57 3.08 -0.17 -1.20 114.38 118.65 2fsh h ARG 544 Ca 0.09 -0.61 0.02 0.00 0.07 0.00 0.00 59.98 59.55 2fsh h ARG 544 Cb 0.86 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 31.02 2fsh h ARG 544 CO 0.08 1.22 0.31 1.25 -1.07 0.00 0.00 179.97 181.75 2fsh h HIS 545 N 0.39 0.57 0.01 3.04 2.76 -0.34 0.15 115.15 121.73 2fsh h HIS 545 Ca -0.06 0.02 -0.22 0.00 -2.20 0.00 0.00 60.37 57.90 2fsh h HIS 545 Cb 1.40 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 30.17 2fsh h HIS 545 CO 0.10 0.34 -0.94 -0.44 -1.30 0.00 0.00 177.93 175.69 2fsh h ASP 546 N 0.61 0.43 -0.60 3.26 3.32 -1.35 -1.14 116.42 120.95 2fsh h ASP 546 Ca 0.20 -0.35 -0.09 0.00 0.02 0.00 0.00 57.03 56.80 2fsh h ASP 546 Cb 0.00 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2fsh h ASP 546 CO -0.08 1.16 0.01 0.00 -1.72 0.00 0.00 179.24 178.61 2fsh h ALA 547 N 0.81 0.81 -0.43 3.45 0.00 -0.96 -1.31 119.26 121.63 2fsh h ALA 547 Ca -0.07 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 2fsh h ALA 547 Cb 1.57 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2fsh h ALA 547 CO 0.16 0.65 -0.04 0.28 0.00 0.00 0.00 179.25 180.29 2fsh h VAL 548 N 0.96 1.24 -0.23 0.00 2.07 -0.51 -1.62 116.25 118.16 2fsh h VAL 548 Ca 0.17 -1.03 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 2fsh h VAL 548 Cb 0.55 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2fsh h VAL 548 CO 0.03 0.36 0.02 -0.07 0.02 0.00 0.00 177.57 177.93 2fsh h LEU 549 N 0.68 0.38 -0.57 2.57 3.38 -1.06 -0.25 115.31 120.44 2fsh h LEU 549 Ca 0.13 -0.28 0.10 0.00 0.09 0.00 0.00 57.88 57.93 2fsh h LEU 549 Cb 0.48 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.05 2fsh h LEU 549 CO 0.02 0.56 0.11 -0.08 0.09 0.00 0.00 178.44 179.15 2fsh h GLU 550 N 0.18 0.24 0.00 1.13 4.22 -1.10 -0.04 114.58 119.21 2fsh h GLU 550 Ca 0.07 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.49 2fsh h GLU 550 Cb 0.35 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2fsh h GLU 550 CO 0.01 0.16 0.00 0.00 -2.18 0.00 0.00 179.01 177.00 2fsh n ALA 551 N -2.58 2.13 0.00 2.92 0.00 -0.62 -4.83 120.51 117.52 2fsh n ALA 551 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2fsh n ALA 551 Cb 0.30 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.48 2fsh n ALA 551 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fsh n GLY 552 N 0.05 1.17 7.00 0.00 0.00 -0.03 -4.70 105.19 108.69 2fsh n GLY 552 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2fsh n GLY 552 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fsh n GLY 553 N -1.18 -0.19 3.71 -0.02 0.00 -0.12 -2.54 105.19 104.86 2fsh n GLY 553 Ca 0.00 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 2fsh n GLY 553 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2fsh s LEU 554 N 0.00 4.37 -0.20 0.99 2.96 -1.25 -4.32 118.68 121.23 2fsh s LEU 554 Ca 0.00 2.05 -0.13 0.00 -0.22 0.00 0.00 54.13 55.83 2fsh s LEU 554 Cb 0.00 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.07 2fsh s LEU 554 CO 0.00 -0.50 0.27 -2.28 -1.32 0.00 0.00 176.35 172.52 2fsh s HIS 555 N 1.13 3.39 -0.23 5.38 5.65 -0.88 -1.36 115.29 128.37 2fsh s HIS 555 Ca 0.60 0.48 -0.10 0.00 0.25 0.00 0.00 55.06 56.28 2fsh s HIS 555 Cb -0.30 -2.36 -0.05 0.00 -1.18 0.00 0.00 32.58 28.69 2fsh s HIS 555 CO 0.29 0.13 0.15 0.42 -0.65 0.00 0.00 174.74 175.08 2fsh s ILE 556 N 0.84 5.32 -0.22 0.89 -1.09 0.53 -1.29 121.20 126.18 2fsh s ILE 556 Ca 0.14 0.16 -0.04 0.00 -2.23 0.00 0.00 60.65 58.68 2fsh s ILE 556 Cb -0.13 -3.47 -0.01 0.00 -1.58 0.00 0.00 42.46 37.27 2fsh s ILE 556 CO 0.04 0.37 -0.02 -0.63 -1.23 0.00 0.00 174.94 173.47 2fsh s ILE 557 N 0.88 3.55 -0.28 2.92 1.01 0.00 -0.98 121.20 128.31 2fsh s ILE 557 Ca 0.07 -0.43 -0.19 0.00 0.00 0.00 0.00 60.65 60.09 2fsh s ILE 557 Cb -0.13 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.70 2fsh s ILE 557 CO 0.03 0.41 0.59 -0.83 0.00 0.00 0.00 174.94 175.14 2fsh s GLY 558 N 1.43 1.81 0.29 6.18 0.00 -0.06 -0.46 107.32 116.50 2fsh s GLY 558 Ca 0.05 -0.59 0.24 0.00 0.00 0.00 0.00 44.72 44.42 2fsh s GLY 558 CO -0.02 1.38 1.57 -0.91 0.00 0.00 0.00 173.10 175.13 2fsh h THR 559 N 5.47 0.00 -3.75 0.90 1.35 -1.46 -0.54 112.91 114.89 2fsh h THR 559 Ca -0.27 -0.74 -0.08 0.00 -0.55 0.00 0.00 66.41 64.76 2fsh h THR 559 Cb 1.13 1.63 -0.14 0.00 -1.73 0.00 0.00 68.15 69.03 2fsh h THR 559 CO 0.77 0.00 -0.33 -1.61 -0.25 0.00 0.00 175.52 174.09 2fsh s GLU 560 N -3.18 0.87 0.16 4.72 8.01 -1.21 -4.56 118.70 123.51 2fsh s GLU 560 Ca 0.07 -0.92 -0.06 0.00 0.01 0.00 0.00 54.97 54.07 2fsh s GLU 560 Cb 0.09 0.36 -0.06 0.00 -4.31 0.00 0.00 34.13 30.21 2fsh s GLU 560 CO 0.66 -0.28 0.42 1.03 0.01 0.00 0.00 175.26 177.10 2fsh s ARG 561 N -3.81 3.67 0.40 1.61 0.52 -1.26 -4.84 118.95 115.23 2fsh s ARG 561 Ca 0.04 0.01 -0.09 0.00 -0.52 0.00 0.00 55.73 55.18 2fsh s ARG 561 Cb 0.04 -2.81 -0.06 0.00 0.52 0.00 0.00 34.95 32.65 2fsh s ARG 561 CO -0.11 0.44 0.74 -1.01 0.02 0.00 0.00 175.30 175.38 2fsh s HIS 562 N -1.68 3.49 0.41 -0.53 3.76 -1.26 -4.74 115.29 114.74 2fsh s HIS 562 Ca 0.42 0.95 0.10 0.00 -0.15 0.00 0.00 55.06 56.38 2fsh s HIS 562 Cb -0.12 -2.37 0.86 0.00 1.11 0.00 0.00 32.58 32.06 2fsh s HIS 562 CO 0.23 -0.10 1.98 1.49 -0.85 0.00 0.00 174.74 177.49 2fsh h GLU 563 N 1.14 0.28 -5.64 1.40 4.81 -1.99 -3.39 114.58 111.19 2fsh h GLU 563 Ca -0.47 -0.05 -0.60 0.00 -0.13 0.00 0.00 59.36 58.12 2fsh h GLU 563 Cb 1.19 -0.05 -0.10 0.00 0.63 0.00 0.00 28.75 30.43 2fsh h GLU 563 CO 0.64 0.33 0.13 0.45 -0.73 0.00 0.00 179.01 179.83 2fsh s SER 564 N -6.86 6.67 0.48 1.04 0.15 -1.26 -4.80 113.70 109.12 2fsh s SER 564 Ca -0.06 0.82 0.22 0.00 0.70 0.00 0.00 55.95 57.63 2fsh s SER 564 Cb 0.16 -2.35 1.21 0.00 -1.71 0.00 0.00 66.02 63.33 2fsh s SER 564 CO 0.72 -0.29 2.01 -0.09 1.20 0.00 0.00 173.24 176.79 2fsh h ARG 565 N 7.54 0.00 -0.78 5.44 2.43 -1.91 -3.14 114.38 123.97 2fsh h ARG 565 Ca -0.31 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.83 2fsh h ARG 565 Cb 1.14 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.65 2fsh h ARG 565 CO 0.77 0.18 0.36 -0.09 -1.51 0.00 0.00 179.97 179.68 2fsh h ARG 566 N 0.00 1.13 -0.21 0.20 2.43 -1.93 0.25 114.38 116.25 2fsh h ARG 566 Ca -0.00 -0.17 0.04 0.00 -0.81 0.00 0.00 59.98 59.04 2fsh h ARG 566 Cb 0.40 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 2fsh h ARG 566 CO 0.02 0.88 -0.03 0.82 -1.51 0.00 0.00 179.97 180.15 2fsh h ILE 567 N 1.12 0.81 -0.79 1.20 2.04 -1.95 -0.91 117.51 119.02 2fsh h ILE 567 Ca 0.27 -0.01 0.08 0.00 1.00 0.00 0.00 64.86 66.20 2fsh h ILE 567 Cb 0.13 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 2fsh h ILE 567 CO -0.03 0.00 0.52 0.44 0.00 0.00 0.00 178.15 179.08 2fsh h ASP 568 N 0.02 0.69 0.36 1.72 3.32 -1.32 -2.46 116.42 118.75 2fsh h ASP 568 Ca 0.10 0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.01 2fsh h ASP 568 Cb 0.15 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2fsh h ASP 568 CO -0.20 0.42 -0.65 0.78 -1.72 0.00 0.00 179.24 177.87 2fsh h ASN 569 N 0.77 0.31 -0.55 6.45 2.35 -0.23 -1.42 115.58 123.26 2fsh h ASN 569 Ca 0.35 -0.19 -0.06 0.00 -0.55 0.00 0.00 56.30 55.85 2fsh h ASN 569 Cb 0.37 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 2fsh h ASN 569 CO -0.13 0.88 0.12 1.56 -1.65 0.00 0.00 177.43 178.20 2fsh h GLN 570 N 0.19 0.90 -0.04 0.81 4.20 -0.74 -0.74 115.11 119.70 2fsh h GLN 570 Ca -0.01 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.47 2fsh h GLN 570 Cb 1.19 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.85 2fsh h GLN 570 CO 0.10 0.85 0.02 1.25 -0.67 0.00 0.00 178.83 180.39 2fsh h LEU 571 N 0.80 0.05 -1.09 1.46 5.85 -1.14 -3.22 115.31 118.01 2fsh h LEU 571 Ca 0.17 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.79 2fsh h LEU 571 Cb 0.37 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 2fsh h LEU 571 CO 0.01 0.14 0.62 -0.09 -0.34 0.00 0.00 178.44 178.78 2fsh h ARG 572 N -0.05 1.21 0.00 1.25 2.43 -1.09 -2.53 114.38 115.60 2fsh h ARG 572 Ca 0.01 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2fsh h ARG 572 Cb 0.11 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 2fsh h ARG 572 CO -0.00 0.80 0.00 0.41 -1.51 0.00 0.00 179.97 179.67 2fsh n GLY 573 N -1.39 -0.78 0.30 2.80 0.00 -0.30 -1.89 105.19 103.94 2fsh n GLY 573 Ca 0.11 -0.03 0.17 0.00 0.00 0.00 0.00 46.02 46.27 2fsh n GLY 573 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2fsh h ARG 574 N 0.00 0.00 -6.24 1.61 -0.00 -1.47 -3.44 114.38 104.83 2fsh h ARG 574 Ca 0.00 0.00 -0.59 0.00 -0.50 0.00 0.00 59.98 58.89 2fsh h ARG 574 Cb 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 29.97 30.03 2fsh h ARG 574 CO 0.00 0.04 -0.60 0.45 0.00 0.00 0.00 179.97 179.86 2fsh s SER 575 N -5.77 5.28 -0.11 7.04 0.15 -0.79 -4.69 113.70 114.80 2fsh s SER 575 Ca -0.04 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.42 2fsh s SER 575 Cb 0.13 -1.31 0.00 0.00 -1.71 0.00 0.00 66.02 63.13 2fsh s SER 575 CO 0.51 0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.65 2fsh n GLY 576 N -0.16 0.40 3.76 9.45 0.00 -1.26 -4.93 105.19 112.46 2fsh n GLY 576 Ca -0.09 -0.95 -0.39 0.00 0.00 0.00 0.00 46.02 44.59 2fsh n GLY 576 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fsh s ARG 577 N -2.97 4.66 -1.44 1.61 0.52 -1.26 -3.81 118.95 116.26 2fsh s ARG 577 Ca 0.00 1.51 -0.09 0.00 -0.52 0.00 0.00 55.73 56.63 2fsh s ARG 577 Cb 0.00 -3.04 0.05 0.00 0.52 0.00 0.00 34.95 32.48 2fsh s ARG 577 CO 0.00 0.31 0.95 1.04 0.02 0.00 0.00 175.30 177.63 2fsh n GLN 578 N 0.99 -5.84 -0.29 3.54 3.00 -1.26 -1.32 117.38 116.19 2fsh n GLN 578 Ca 0.00 0.65 0.00 0.00 -0.01 0.00 0.00 57.00 57.64 2fsh n GLN 578 Cb 0.48 -5.50 0.00 0.00 0.00 0.00 0.00 30.24 25.22 2fsh n GLN 578 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2fsh n GLY 579 N -1.70 1.60 3.76 1.08 0.00 -1.25 -4.91 105.19 103.78 2fsh n GLY 579 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 2fsh n GLY 579 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2fsh s ASP 580 N -3.24 5.67 0.63 1.61 1.01 -0.44 -4.65 116.67 117.27 2fsh s ASP 580 Ca 0.00 2.92 -0.18 0.00 0.71 0.00 0.00 52.55 56.00 2fsh s ASP 580 Cb 0.00 -2.65 -0.02 0.00 1.01 0.00 0.00 42.92 41.26 2fsh s ASP 580 CO 0.00 -1.31 1.24 0.00 0.21 0.00 0.00 175.17 175.30 2fsh s ALA 581 N -1.22 2.43 -0.01 5.23 0.00 -1.26 -4.27 121.76 122.66 2fsh s ALA 581 Ca 0.64 1.06 -0.29 0.00 0.00 0.00 0.00 51.96 53.37 2fsh s ALA 581 Cb -0.44 -3.49 0.10 0.00 0.00 0.00 0.00 23.12 19.30 2fsh s ALA 581 CO 0.55 -1.41 1.27 0.20 0.00 0.00 0.00 175.76 176.38 2fsh s GLY 582 N -1.60 -0.22 0.25 0.00 0.00 -1.05 -3.81 107.32 100.89 2fsh s GLY 582 Ca 0.79 0.25 -0.14 0.00 0.00 0.00 0.00 44.72 45.61 2fsh s GLY 582 CO 0.37 3.49 0.52 -1.35 0.00 0.00 0.00 173.10 176.13 2fsh s SER 583 N -3.49 -0.12 -0.03 1.64 1.04 -0.47 -1.35 113.70 110.92 2fsh s SER 583 Ca 0.24 -0.87 -0.14 0.00 0.48 0.00 0.00 55.95 55.65 2fsh s SER 583 Cb 0.01 0.61 0.02 0.00 0.10 0.00 0.00 66.02 66.77 2fsh s SER 583 CO -0.02 -1.18 0.32 -0.94 0.98 0.00 0.00 173.24 172.40 2fsh s SER 584 N -3.00 -0.22 -0.14 7.02 1.04 -0.17 -0.35 113.70 117.88 2fsh s SER 584 Ca 0.20 0.19 -0.08 0.00 0.48 0.00 0.00 55.95 56.74 2fsh s SER 584 Cb -0.02 0.38 0.05 0.00 0.10 0.00 0.00 66.02 66.53 2fsh s SER 584 CO 0.09 -0.39 0.34 -0.60 0.98 0.00 0.00 173.24 173.65 2fsh s ARG 585 N -1.07 0.33 -0.04 4.02 6.06 -0.15 -0.90 118.95 127.19 2fsh s ARG 585 Ca -0.11 0.64 0.00 0.00 -2.50 0.00 0.00 55.73 53.76 2fsh s ARG 585 Cb -0.05 -0.02 -0.03 0.00 0.06 0.00 0.00 34.95 34.91 2fsh s ARG 585 CO 0.04 -0.14 -0.01 -0.06 -2.50 0.00 0.00 175.30 172.63 2fsh s PHE 586 N 1.12 3.08 -0.09 5.12 0.08 -1.26 -0.88 117.98 125.14 2fsh s PHE 586 Ca -0.08 0.11 0.01 0.00 0.12 0.00 0.00 56.93 57.09 2fsh s PHE 586 Cb -0.08 -1.72 -0.02 0.00 -0.57 0.00 0.00 43.02 40.63 2fsh s PHE 586 CO -0.09 0.44 -0.10 0.71 -0.10 0.00 0.00 175.22 176.08 2fsh s TYR 587 N -0.97 2.86 0.07 0.36 2.02 -0.21 -0.90 117.35 120.58 2fsh s TYR 587 Ca 0.16 -0.25 0.06 0.00 -0.37 0.00 0.00 57.07 56.67 2fsh s TYR 587 Cb -0.11 -1.76 -0.03 0.00 -0.40 0.00 0.00 41.96 39.65 2fsh s TYR 587 CO 0.06 0.09 -0.17 -0.51 -1.57 0.00 0.00 175.55 173.45 2fsh s LEU 588 N -0.29 2.26 0.33 -1.29 1.02 -0.02 -3.32 118.68 117.37 2fsh s LEU 588 Ca 0.03 -0.61 0.10 0.00 0.02 0.00 0.00 54.13 53.67 2fsh s LEU 588 Cb -0.13 -0.68 -0.06 0.00 0.02 0.00 0.00 46.19 45.34 2fsh s LEU 588 CO 0.03 0.00 -0.11 -0.94 0.02 0.00 0.00 176.35 175.34 2fsh s SER 589 N -1.67 3.72 0.15 2.29 1.04 -1.26 -1.16 113.70 116.81 2fsh s SER 589 Ca 0.02 -1.16 0.14 0.00 0.48 0.00 0.00 55.95 55.44 2fsh s SER 589 Cb -0.10 -0.35 0.69 0.00 0.10 0.00 0.00 66.02 66.36 2fsh s SER 589 CO 0.03 -0.15 1.44 0.23 0.98 0.00 0.00 173.24 175.77 2fsh n MET 590 N -0.76 0.08 -0.05 4.02 2.81 1.00 -2.17 117.12 122.05 2fsh n MET 590 Ca -0.05 0.47 -0.17 0.00 -1.81 0.00 0.00 57.70 56.15 2fsh n MET 590 Cb 0.63 -1.72 -0.13 0.00 -0.71 0.00 0.00 33.22 31.29 2fsh n MET 590 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2fsh h GLU 591 N 0.00 0.07 -0.58 0.03 5.08 -1.83 -3.47 114.58 113.89 2fsh h GLU 591 Ca 0.00 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 2fsh h GLU 591 Cb 0.13 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2fsh h GLU 591 CO 0.00 1.06 0.02 -0.25 -1.00 0.00 0.00 179.01 178.84 2fsh n ASP 592 N -4.44 0.03 -0.37 1.42 10.43 -0.92 -4.73 116.55 117.98 2fsh n ASP 592 Ca -0.15 0.11 -0.06 0.00 2.57 0.00 0.00 54.79 57.27 2fsh n ASP 592 Cb 0.61 -0.09 -0.02 0.00 1.84 0.00 0.00 41.12 43.46 2fsh n ASP 592 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2fsh h ALA 593 N 0.34 -0.15 -1.05 2.24 0.00 -1.93 -0.45 119.26 118.27 2fsh h ALA 593 Ca -0.05 0.20 0.30 0.00 0.00 0.00 0.00 54.91 55.37 2fsh h ALA 593 Cb 0.14 1.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 2fsh h ALA 593 CO 0.07 -0.77 0.97 1.25 0.00 0.00 0.00 179.25 180.77 2fsh h LEU 594 N -0.04 0.00 -0.45 0.00 6.46 -1.85 0.22 115.31 119.66 2fsh h LEU 594 Ca 0.26 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.02 2fsh h LEU 594 Cb 0.53 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.46 2fsh h LEU 594 CO -0.93 0.00 0.00 0.23 -0.62 0.00 0.00 178.44 177.12 2fsh n MET 595 N -3.67 0.59 -0.01 1.25 2.81 -0.18 -2.29 117.12 115.62 2fsh n MET 595 Ca 0.23 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 56.18 2fsh n MET 595 Cb 1.31 -1.13 -0.11 0.00 -0.71 0.00 0.00 33.22 32.57 2fsh n MET 595 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2fsh n ARG 596 N -0.19 0.54 0.00 0.03 1.74 0.79 -4.20 116.66 115.36 2fsh n ARG 596 Ca 0.00 -0.12 0.09 0.00 -0.77 0.00 0.00 57.85 57.04 2fsh n ARG 596 Cb 0.07 -1.35 0.50 0.00 -1.02 0.00 0.00 32.46 30.66 2fsh n ARG 596 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 2fsh n ILE 597 N -2.04 0.11 0.18 0.55 -5.35 -0.97 -2.22 119.36 109.62 2fsh n ILE 597 Ca -0.04 0.03 -0.07 0.00 -0.27 0.00 0.00 62.75 62.40 2fsh n ILE 597 Cb 0.42 -0.75 0.09 0.00 -1.74 0.00 0.00 39.64 37.66 2fsh n ILE 597 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2fsh n PHE 598 N -1.06 1.09 -0.41 4.28 3.72 -1.26 -4.94 117.46 118.88 2fsh n PHE 598 Ca 0.12 -0.85 0.00 0.00 -0.05 0.00 0.00 57.45 56.67 2fsh n PHE 598 Cb 0.08 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 38.16 2fsh n PHE 598 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2fsh n ALA 599 N -0.05 0.00 -3.65 4.37 0.00 -0.94 -4.70 120.51 115.54 2fsh n ALA 599 Ca 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.60 2fsh n ALA 599 Cb 0.88 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.26 2fsh n ALA 599 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2fsh s SER 600 N -0.20 -0.91 0.15 0.00 0.15 -1.26 -5.06 113.70 106.57 2fsh s SER 600 Ca 0.00 1.42 -0.00 0.00 0.70 0.00 0.00 55.95 58.07 2fsh s SER 600 Cb 0.00 1.80 -0.06 0.00 -1.71 0.00 0.00 66.02 66.06 2fsh s SER 600 CO 0.00 -0.23 1.34 0.44 1.20 0.00 0.00 173.24 175.99 2fsh h ASP 601 N 7.69 0.36 -0.40 5.45 3.45 -1.92 -1.83 116.42 129.21 2fsh h ASP 601 Ca -0.22 -0.29 -0.15 0.00 0.43 0.00 0.00 57.03 56.79 2fsh h ASP 601 Cb 1.14 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.80 2fsh h ASP 601 CO 0.13 1.10 -0.35 -0.09 -1.57 0.00 0.00 179.24 178.47 2fsh h ARG 602 N 0.15 0.94 0.00 3.56 2.43 -1.96 -2.74 114.38 116.76 2fsh h ARG 602 Ca -0.06 -0.48 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 2fsh h ARG 602 Cb 1.56 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.12 2fsh h ARG 602 CO 0.15 1.14 0.00 0.28 -1.51 0.00 0.00 179.97 180.03 2fsh n VAL 603 N -4.08 0.00 -0.27 0.20 0.31 -1.10 -3.31 118.33 110.08 2fsh n VAL 603 Ca -0.02 1.36 -0.07 0.00 -0.01 0.00 0.00 64.34 65.60 2fsh n VAL 603 Cb 0.53 -2.36 -0.06 0.00 -0.91 0.00 0.00 33.84 31.03 2fsh n VAL 603 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2fsh n SER 604 N -1.59 -0.69 -0.06 4.52 7.64 -0.71 -1.04 113.62 121.70 2fsh n SER 604 Ca 0.00 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.05 2fsh n SER 604 Cb 0.00 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 2fsh n SER 604 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2fsh n GLY 605 N -1.16 -0.34 0.17 0.23 0.00 -1.03 -1.83 105.19 101.23 2fsh n GLY 605 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 2fsh n GLY 605 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2fsh h MET 606 N 0.06 0.44 -0.02 1.61 4.05 -1.08 -3.25 114.93 116.75 2fsh h MET 606 Ca 0.00 -0.41 0.01 0.00 -0.28 0.00 0.00 59.70 59.01 2fsh h MET 606 Cb 0.03 0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 30.93 2fsh h MET 606 CO 0.00 1.06 0.03 0.52 0.23 0.00 0.00 176.91 178.75 2fsh h MET 607 N 0.27 0.00 -0.98 0.39 2.86 -1.55 0.45 114.93 116.37 2fsh h MET 607 Ca -0.06 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 57.75 2fsh h MET 607 Cb 1.45 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 33.02 2fsh h MET 607 CO 0.15 0.00 0.61 0.00 1.06 0.00 0.00 176.91 178.73 2fsh h ARG 608 N 0.00 0.77 0.00 1.72 3.08 -1.78 -2.67 114.38 115.50 2fsh h ARG 608 Ca 0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2fsh h ARG 608 Cb 0.06 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.94 2fsh h ARG 608 CO -0.00 0.51 0.00 1.63 -1.07 0.00 0.00 179.97 181.04 2fsh n LYS 609 N -4.66 0.02 0.08 0.04 4.76 0.16 -1.59 118.16 116.96 2fsh n LYS 609 Ca 0.21 0.17 -0.07 0.00 -2.87 0.00 0.00 58.31 55.75 2fsh n LYS 609 Cb 0.50 -1.53 -0.06 0.00 -1.84 0.00 0.00 35.03 32.10 2fsh n LYS 609 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2fsh h LEU 610 N 0.00 0.06 0.00 -0.35 4.07 -1.57 -3.49 115.31 114.02 2fsh h LEU 610 Ca 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.91 2fsh h LEU 610 Cb 0.36 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.08 2fsh h LEU 610 CO 0.00 0.96 0.00 0.61 -1.08 0.00 0.00 178.44 178.93 2fsh n GLY 611 N 1.12 3.13 2.52 0.83 0.00 -0.62 -4.78 105.19 107.38 2fsh n GLY 611 Ca -0.01 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.85 2fsh n GLY 611 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2fsh n MET 612 N 0.00 -1.17 -1.66 1.61 2.81 -1.26 -4.84 117.12 112.61 2fsh n MET 612 Ca 0.00 0.87 -0.52 0.00 -1.81 0.00 0.00 57.70 56.24 2fsh n MET 612 Cb 0.00 -5.01 -0.06 0.00 -0.71 0.00 0.00 33.22 27.44 2fsh n MET 612 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2fsh n LYS 613 N -1.94 1.62 -0.82 0.03 4.81 -1.26 -4.75 118.16 115.86 2fsh n LYS 613 Ca -0.12 0.58 -0.38 0.00 -0.87 0.00 0.00 58.31 57.52 2fsh n LYS 613 Cb 0.47 -2.41 -0.08 0.00 0.02 0.00 0.00 35.03 33.03 2fsh n LYS 613 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2fsh n PRO 614 N 6.39 0.00 0.00 1.64 -0.02 -1.26 -0.49 135.00 141.26 2fsh n PRO 614 Ca 0.27 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2fsh n PRO 614 Cb 0.22 -0.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.73 2fsh n PRO 614 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fsh n GLY 615 N 4.81 1.33 1.85 -1.23 0.00 -1.26 -4.86 105.19 105.83 2fsh n GLY 615 Ca 0.36 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 46.16 2fsh n GLY 615 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2fsh n GLU 616 N 0.00 1.67 -1.42 1.61 1.02 0.36 -4.93 120.64 118.95 2fsh n GLU 616 Ca 0.00 -0.75 -0.32 0.00 -0.02 0.00 0.00 57.16 56.07 2fsh n GLU 616 Cb 0.00 -1.65 0.08 0.00 -0.02 0.00 0.00 31.44 29.85 2fsh n GLU 616 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2fsh s ALA 617 N 0.41 2.33 0.00 0.62 0.00 -1.24 -4.43 121.76 119.46 2fsh s ALA 617 Ca 0.42 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.74 2fsh s ALA 617 Cb 0.21 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 20.05 2fsh s ALA 617 CO -0.01 -1.61 0.00 -0.89 0.00 0.00 0.00 175.76 173.25 2fsh n ILE 618 N -3.17 0.00 -0.14 0.00 5.41 -1.26 -5.09 119.36 115.10 2fsh n ILE 618 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.84 2fsh n ILE 618 Cb 0.53 -0.84 0.00 0.00 -0.71 0.00 0.00 39.64 38.62 2fsh n ILE 618 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2fsh n GLU 619 N -2.63 0.00 -3.79 0.38 1.02 -1.26 -5.06 120.64 109.30 2fsh n GLU 619 Ca 0.00 0.14 -0.30 0.00 -0.02 0.00 0.00 57.16 56.98 2fsh n GLU 619 Cb 0.46 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.73 2fsh n GLU 619 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2fsh s HIS 620 N -0.41 2.06 -0.13 -0.32 3.76 -1.26 -5.03 115.29 113.96 2fsh s HIS 620 Ca 0.00 -1.92 0.26 0.00 -0.15 0.00 0.00 55.06 53.25 2fsh s HIS 620 Cb 0.00 -1.89 1.32 0.00 1.11 0.00 0.00 32.58 33.12 2fsh s HIS 620 CO 0.00 -0.88 1.79 -1.00 -0.85 0.00 0.00 174.74 173.80 2fsh h PRO 621 N 8.01 0.00 -0.36 8.40 0.13 -1.97 -1.60 132.00 144.60 2fsh h PRO 621 Ca -0.12 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.00 2fsh h PRO 621 Cb 1.02 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.13 2fsh h PRO 621 CO 0.47 0.00 0.19 0.11 -0.23 0.00 0.00 178.00 178.54 2fsh h TRP 622 N 0.00 0.48 -0.89 1.56 5.08 -1.99 -2.83 115.95 117.36 2fsh h TRP 622 Ca 0.00 -0.00 0.02 0.00 1.08 0.00 0.00 58.89 59.99 2fsh h TRP 622 Cb 0.11 -0.16 -0.05 0.00 -3.00 0.00 0.00 29.16 26.07 2fsh h TRP 622 CO 0.00 0.35 0.58 0.28 -1.28 0.00 0.00 178.44 178.38 2fsh h VAL 623 N 0.50 1.19 -0.29 0.12 2.07 -1.67 0.12 116.25 118.29 2fsh h VAL 623 Ca 0.13 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 2fsh h VAL 623 Cb 0.04 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.72 2fsh h VAL 623 CO -0.02 0.21 0.17 0.74 0.02 0.00 0.00 177.57 178.69 2fsh h THR 624 N 1.17 1.11 -0.17 2.57 2.02 -1.65 0.12 112.91 118.08 2fsh h THR 624 Ca 0.34 -0.27 -0.20 0.00 0.77 0.00 0.00 66.41 67.05 2fsh h THR 624 Cb -0.08 0.77 0.01 0.00 -1.74 0.00 0.00 68.15 67.10 2fsh h THR 624 CO -0.09 0.11 -0.68 0.11 0.37 0.00 0.00 175.52 175.33 2fsh h LYS 625 N 0.36 0.76 -0.53 6.66 1.57 -1.38 -0.33 116.57 123.69 2fsh h LYS 625 Ca 0.10 -0.60 0.11 0.00 -1.87 0.00 0.00 60.65 58.39 2fsh h LYS 625 Cb 0.03 0.11 -0.11 0.00 0.08 0.00 0.00 32.23 32.35 2fsh h LYS 625 CO -0.02 1.21 -0.21 0.00 -0.57 0.00 0.00 179.45 179.86 2fsh h ALA 626 N 0.56 0.21 -0.30 3.86 0.00 -0.61 0.24 119.26 123.22 2fsh h ALA 626 Ca -0.04 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2fsh h ALA 626 Cb 1.31 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 2fsh h ALA 626 CO 0.14 -0.52 0.08 0.82 0.00 0.00 0.00 179.25 179.77 2fsh h ILE 627 N -0.08 1.21 -0.82 0.00 2.04 -0.73 -1.92 117.51 117.21 2fsh h ILE 627 Ca 0.25 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 2fsh h ILE 627 Cb 0.47 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 2fsh h ILE 627 CO -0.59 0.23 0.51 0.00 0.00 0.00 0.00 178.15 178.30 2fsh h ALA 628 N 0.91 1.04 -0.38 1.87 0.00 -0.60 -1.84 119.26 120.27 2fsh h ALA 628 Ca 0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2fsh h ALA 628 Cb 0.28 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2fsh h ALA 628 CO 0.00 0.50 0.17 -0.97 0.00 0.00 0.00 179.25 178.95 2fsh h ASN 629 N 1.12 0.50 -0.41 0.00 -0.00 -0.49 -1.05 115.58 115.25 2fsh h ASN 629 Ca 0.30 -0.14 0.06 0.00 -0.00 0.00 0.00 56.30 56.52 2fsh h ASN 629 Cb -0.06 -0.13 -0.05 0.00 -0.00 0.00 0.00 38.32 38.08 2fsh h ASN 629 CO -0.06 0.50 0.09 0.00 -0.00 0.00 0.00 177.43 177.96 2fsh h ALA 630 N 1.02 0.45 -0.68 1.57 0.00 -1.02 0.31 119.26 120.92 2fsh h ALA 630 Ca 0.13 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.15 2fsh h ALA 630 Cb 0.14 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2fsh h ALA 630 CO -0.01 -0.31 0.42 1.96 0.00 0.00 0.00 179.25 181.30 2fsh h GLN 631 N 0.23 0.78 -0.45 0.00 4.20 -1.10 -1.39 115.11 117.37 2fsh h GLN 631 Ca 0.19 -0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.94 2fsh h GLN 631 Cb 0.23 -0.18 -0.07 0.00 0.30 0.00 0.00 27.48 27.76 2fsh h GLN 631 CO -0.24 0.52 0.07 -0.09 -0.67 0.00 0.00 178.83 178.41 2fsh h ARG 632 N 0.81 0.19 -0.51 1.46 2.43 -0.15 -2.00 114.38 116.60 2fsh h ARG 632 Ca 0.28 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.35 2fsh h ARG 632 Cb 0.05 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 2fsh h ARG 632 CO -0.12 0.12 -0.04 0.87 -1.51 0.00 0.00 179.97 179.29 2fsh h LYS 633 N 0.19 0.92 -0.38 0.20 1.57 -0.51 -1.00 116.57 117.56 2fsh h LYS 633 Ca 0.23 -0.32 0.07 0.00 -1.87 0.00 0.00 60.65 58.76 2fsh h LYS 633 Cb 0.30 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.48 2fsh h LYS 633 CO -0.32 0.97 -0.01 0.28 -0.57 0.00 0.00 179.45 179.81 2fsh h VAL 634 N 0.79 0.70 -0.22 0.50 2.07 -1.10 0.25 116.25 119.24 2fsh h VAL 634 Ca 0.14 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 2fsh h VAL 634 Cb 0.58 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2fsh h VAL 634 CO 0.03 0.02 0.13 -0.33 0.02 0.00 0.00 177.57 177.44 2fsh h GLU 635 N 0.10 0.31 -0.80 1.57 4.39 -1.09 -0.86 114.58 118.20 2fsh h GLU 635 Ca 0.19 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.86 2fsh h GLU 635 Cb 0.27 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 2fsh h GLU 635 CO -0.32 0.27 0.51 1.03 -1.16 0.00 0.00 179.01 179.34 2fsh h SER 636 N 0.26 0.94 -0.15 1.42 0.87 -1.00 0.62 113.55 116.51 2fsh h SER 636 Ca 0.08 -0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2fsh h SER 636 Cb 0.05 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 2fsh h SER 636 CO -0.01 0.70 0.08 0.03 -0.53 0.00 0.00 176.83 177.10 2fsh h ARG 637 N 1.09 0.21 -0.84 2.24 3.08 -0.34 -1.74 114.38 118.08 2fsh h ARG 637 Ca 0.29 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.29 2fsh h ARG 637 Cb -0.09 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 29.88 2fsh h ARG 637 CO -0.06 0.23 0.41 -0.91 -1.07 0.00 0.00 179.97 178.57 2fsh h ASN 638 N 0.14 1.09 -0.46 7.04 -0.26 -0.67 -2.57 115.58 119.87 2fsh h ASN 638 Ca 0.05 -0.13 -0.10 0.00 -0.56 0.00 0.00 56.30 55.57 2fsh h ASN 638 Cb 0.08 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 37.04 2fsh h ASN 638 CO -0.01 0.91 -0.07 0.15 -1.06 0.00 0.00 177.43 177.35 2fsh h PHE 639 N 1.19 1.01 -0.55 1.19 3.57 -0.86 -1.18 116.94 121.31 2fsh h PHE 639 Ca 0.29 -0.19 0.07 0.00 3.53 0.00 0.00 57.97 61.67 2fsh h PHE 639 Cb 0.11 -0.26 -0.06 0.00 2.79 0.00 0.00 35.95 38.53 2fsh h PHE 639 CO 0.01 0.95 0.23 -0.44 -2.23 0.00 0.00 178.31 176.83 2fsh h ASP 640 N 0.83 0.27 -0.48 0.41 5.19 -0.93 0.39 116.42 122.12 2fsh h ASP 640 Ca 0.14 0.06 0.01 0.00 -0.62 0.00 0.00 57.03 56.61 2fsh h ASP 640 Cb 0.60 0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.10 2fsh h ASP 640 CO 0.04 0.18 0.31 0.40 -3.12 0.00 0.00 179.24 177.05 2fsh h ILE 641 N 0.44 1.12 -0.55 0.35 2.04 -1.37 -2.40 117.51 117.13 2fsh h ILE 641 Ca 0.26 -0.22 -0.10 0.00 1.00 0.00 0.00 64.86 65.81 2fsh h ILE 641 Cb 0.26 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 2fsh h ILE 641 CO -0.24 0.12 -0.05 -0.09 0.00 0.00 0.00 178.15 177.89 2fsh h ARG 642 N 0.64 0.99 -0.41 2.37 2.43 -0.53 -2.80 114.38 117.07 2fsh h ARG 642 Ca 0.18 -0.33 -0.11 0.00 -0.81 0.00 0.00 59.98 58.91 2fsh h ARG 642 Cb -0.07 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 2fsh h ARG 642 CO -0.04 1.00 -0.20 -0.22 -1.51 0.00 0.00 179.97 179.00 2fsh h LYS 643 N 0.90 0.80 -0.81 0.20 3.64 0.02 -0.90 116.57 120.41 2fsh h LYS 643 Ca 0.15 -0.31 0.07 0.00 -1.27 0.00 0.00 60.65 59.29 2fsh h LYS 643 Cb 0.59 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.30 2fsh h LYS 643 CO 0.04 0.93 0.49 1.96 -2.27 0.00 0.00 179.45 180.59 2fsh h GLN 644 N 0.70 0.85 -0.10 1.90 1.08 -1.34 -1.79 115.11 116.41 2fsh h GLN 644 Ca 0.10 -0.05 -0.09 0.00 -1.45 0.00 0.00 58.65 57.16 2fsh h GLN 644 Cb 0.71 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.94 2fsh h GLN 644 CO 0.05 0.56 -0.33 -0.07 -0.95 0.00 0.00 178.83 178.10 2fsh h LEU 645 N 0.87 0.20 -0.81 1.46 3.38 -1.01 -2.41 115.31 117.00 2fsh h LEU 645 Ca 0.36 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 58.16 2fsh h LEU 645 Cb 0.22 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2fsh h LEU 645 CO -0.19 0.52 -0.51 -0.07 0.09 0.00 0.00 178.44 178.28 2fsh h LEU 646 N 0.17 0.00 -0.79 1.67 3.38 -0.92 -1.61 115.31 117.22 2fsh h LEU 646 Ca 0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2fsh h LEU 646 Cb 0.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2fsh h LEU 646 CO 0.05 0.51 -0.50 -0.33 0.09 0.00 0.00 178.44 178.26 2fsh h GLU 647 N 0.00 0.00 -0.04 1.13 5.08 -0.84 0.08 114.58 119.99 2fsh h GLU 647 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2fsh h GLU 647 Cb 1.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 2fsh h GLU 647 CO 0.07 0.50 -0.05 1.88 -1.00 0.00 0.00 179.01 180.41 2fsh h TYR 648 N 0.00 0.13 -1.03 4.33 -1.99 -1.34 -3.28 116.97 113.80 2fsh h TYR 648 Ca -0.00 -0.04 0.25 0.00 2.00 0.00 0.00 58.73 60.94 2fsh h TYR 648 Cb 1.03 -0.03 -0.11 0.00 2.00 0.00 0.00 36.73 39.63 2fsh h TYR 648 CO 0.00 0.58 0.64 -0.44 -0.00 0.00 0.00 178.16 178.94 2fsh h ASP 649 N -0.36 0.56 0.06 3.88 5.19 -1.11 -1.70 116.42 122.94 2fsh h ASP 649 Ca 0.01 0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.51 2fsh h ASP 649 Cb 0.56 0.02 -0.00 0.00 0.18 0.00 0.00 39.33 40.09 2fsh h ASP 649 CO 0.01 0.10 -0.03 0.44 -3.12 0.00 0.00 179.24 176.64 2fsh h ASP 650 N 0.49 0.00 0.55 6.45 3.32 -1.03 -0.12 116.42 126.08 2fsh h ASP 650 Ca 0.62 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.64 2fsh h ASP 650 Cb 1.36 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.92 2fsh h ASP 650 CO -0.37 0.03 -0.27 0.58 -1.72 0.00 0.00 179.24 177.49 2fsh h VAL 651 N 0.00 0.25 -0.83 -1.35 2.07 -1.42 -2.04 116.25 112.93 2fsh h VAL 651 Ca -0.00 -0.41 0.08 0.00 0.82 0.00 0.00 66.70 67.19 2fsh h VAL 651 Cb 0.07 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 30.14 2fsh h VAL 651 CO 0.00 0.04 0.54 0.00 0.02 0.00 0.00 177.57 178.18 2fsh h ALA 652 N -0.86 1.64 0.15 1.67 0.00 -1.58 -2.17 119.26 118.10 2fsh h ALA 652 Ca -0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2fsh h ALA 652 Cb 0.63 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2fsh h ALA 652 CO 0.12 0.22 -0.07 -0.97 0.00 0.00 0.00 179.25 178.55 2fsh h ASN 653 N 0.87 -0.17 0.35 0.00 -1.24 -0.98 0.35 115.58 114.77 2fsh h ASN 653 Ca 0.37 -0.07 -0.06 0.00 0.71 0.00 0.00 56.30 57.25 2fsh h ASN 653 Cb 0.30 0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.39 2fsh h ASN 653 CO -0.14 -0.04 -0.29 0.44 -1.29 0.00 0.00 177.43 176.11 2fsh h ASP 654 N -0.29 0.00 -0.22 1.15 3.45 -1.04 -0.53 116.42 118.94 2fsh h ASP 654 Ca -0.02 0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.33 2fsh h ASP 654 Cb 0.23 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.00 2fsh h ASP 654 CO 0.03 0.29 -0.28 1.56 -1.57 0.00 0.00 179.24 179.27 2fsh h GLN 655 N 0.00 0.58 -0.58 3.56 4.20 -1.12 -2.34 115.11 119.40 2fsh h GLN 655 Ca -0.00 -0.33 -0.02 0.00 0.06 0.00 0.00 58.65 58.36 2fsh h GLN 655 Cb 0.55 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.32 2fsh h GLN 655 CO 0.04 0.93 0.30 -0.09 -0.67 0.00 0.00 178.83 179.34 2fsh h ARG 656 N 0.26 0.82 -0.74 1.46 2.43 -0.42 -1.35 114.38 116.84 2fsh h ARG 656 Ca 0.03 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 2fsh h ARG 656 Cb 0.86 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.22 2fsh h ARG 656 CO 0.07 0.65 0.36 0.00 -1.51 0.00 0.00 179.97 179.53 2fsh h ARG 657 N 0.79 1.07 0.04 0.20 3.08 -1.07 -0.46 114.38 118.02 2fsh h ARG 657 Ca 0.20 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 2fsh h ARG 657 Cb 0.08 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.94 2fsh h ARG 657 CO -0.03 0.83 -0.02 0.00 -1.07 0.00 0.00 179.97 179.68 2fsh h ALA 658 N 1.18 -0.06 -0.51 0.04 0.00 -1.18 -1.92 119.26 116.82 2fsh h ALA 658 Ca 0.25 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 2fsh h ALA 658 Cb 0.11 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2fsh h ALA 658 CO -0.03 -0.46 -0.14 0.97 0.00 0.00 0.00 179.25 179.59 2fsh h ILE 659 N -0.20 1.27 -0.62 0.00 6.09 -1.14 -1.72 117.51 121.18 2fsh h ILE 659 Ca -0.01 -1.29 -0.09 0.00 -1.37 0.00 0.00 64.86 62.10 2fsh h ILE 659 Cb 0.18 1.05 -0.02 0.00 0.47 0.00 0.00 36.82 38.49 2fsh h ILE 659 CO 0.01 0.45 0.02 1.88 -3.07 0.00 0.00 178.15 177.44 2fsh h TYR 660 N 0.85 1.17 -0.28 2.19 -1.99 -1.15 -0.45 116.97 117.31 2fsh h TYR 660 Ca 0.13 -0.20 -0.14 0.00 2.00 0.00 0.00 58.73 60.52 2fsh h TYR 660 Cb 0.71 -0.31 -0.01 0.00 2.00 0.00 0.00 36.73 39.12 2fsh h TYR 660 CO 0.05 1.02 -0.42 1.03 -0.00 0.00 0.00 178.16 179.84 2fsh h SER 661 N 0.99 0.72 -0.73 3.88 0.87 -1.09 0.63 113.55 118.82 2fsh h SER 661 Ca 0.18 -0.33 0.02 0.00 -1.23 0.00 0.00 61.79 60.42 2fsh h SER 661 Cb 0.54 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.26 2fsh h SER 661 CO 0.03 1.04 0.48 -0.61 -0.53 0.00 0.00 176.83 177.24 2fsh h GLN 662 N 0.55 0.93 -0.49 2.24 4.15 -1.31 -1.55 115.11 119.63 2fsh h GLN 662 Ca 0.04 -0.06 -0.11 0.00 0.77 0.00 0.00 58.65 59.30 2fsh h GLN 662 Cb 0.95 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 2fsh h GLN 662 CO 0.09 0.61 -0.12 -0.09 -1.93 0.00 0.00 178.83 177.40 2fsh h ARG 663 N 0.96 0.94 -0.31 1.69 2.43 -0.66 -2.26 114.38 117.16 2fsh h ARG 663 Ca 0.28 -0.36 -0.11 0.00 -0.81 0.00 0.00 59.98 58.97 2fsh h ARG 663 Cb -0.07 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 2fsh h ARG 663 CO -0.08 1.02 -0.28 -0.91 -1.51 0.00 0.00 179.97 178.21 2fsh h ASN 664 N 0.79 0.65 -0.82 -3.80 2.35 -0.76 -0.10 115.58 113.90 2fsh h ASN 664 Ca 0.12 -0.25 0.05 0.00 -0.55 0.00 0.00 56.30 55.67 2fsh h ASN 664 Cb 0.67 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.81 2fsh h ASN 664 CO 0.05 0.90 0.51 -0.33 -1.65 0.00 0.00 177.43 176.91 2fsh h GLU 665 N 0.55 0.93 -0.29 0.81 5.08 -1.14 -1.11 114.58 119.41 2fsh h GLU 665 Ca 0.07 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2fsh h GLU 665 Cb 0.76 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2fsh h GLU 665 CO 0.06 0.62 0.10 -0.07 -1.00 0.00 0.00 179.01 178.72 2fsh h LEU 666 N 0.96 0.42 -1.22 1.33 3.38 -1.21 -3.15 115.31 115.84 2fsh h LEU 666 Ca 0.34 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2fsh h LEU 666 Cb 0.09 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2fsh h LEU 666 CO -0.14 0.50 0.35 0.25 0.09 0.00 0.00 178.44 179.49 2fsh h LEU 667 N 0.32 0.79 0.00 1.67 5.85 -0.76 -2.91 115.31 120.28 2fsh h LEU 667 Ca 0.10 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2fsh h LEU 667 Cb 0.23 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.06 2fsh h LEU 667 CO -0.00 0.64 0.00 0.47 -0.34 0.00 0.00 178.44 179.21 2fsh n ASP 668 N -4.38 0.00 -4.42 1.25 8.00 -0.44 -4.30 116.55 112.27 2fsh n ASP 668 Ca 0.06 -0.03 -0.27 0.00 0.71 0.00 0.00 54.79 55.26 2fsh n ASP 668 Cb 0.10 -0.30 -0.12 0.00 -0.02 0.00 0.00 41.12 40.78 2fsh n ASP 668 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2fsh s VAL 669 N -2.60 2.32 -0.15 2.53 0.11 -1.10 -5.04 120.40 116.48 2fsh s VAL 669 Ca 0.23 -2.02 0.17 0.00 -2.93 0.00 0.00 61.98 57.43 2fsh s VAL 669 Cb 0.17 -2.10 -0.06 0.00 -1.53 0.00 0.00 36.38 32.85 2fsh s VAL 669 CO 0.38 -0.12 1.01 0.28 -3.33 0.00 0.00 175.10 173.32 2fsh h SER 670 N 3.22 0.00 -3.31 3.54 0.02 -1.87 -3.45 113.55 111.70 2fsh h SER 670 Ca -0.46 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 59.97 2fsh h SER 670 Cb 1.21 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 63.36 2fsh h SER 670 CO 0.48 0.49 -0.77 -0.62 -1.14 0.00 0.00 176.83 175.26 2fsh s ASP 671 N -5.91 2.74 0.00 3.07 -1.08 -1.26 -4.50 116.67 109.73 2fsh s ASP 671 Ca -0.01 -0.68 0.12 0.00 -0.52 0.00 0.00 52.55 51.46 2fsh s ASP 671 Cb 0.08 -0.70 0.21 0.00 -1.46 0.00 0.00 42.92 41.06 2fsh s ASP 671 CO 0.79 -0.25 1.08 0.52 0.52 0.00 0.00 175.17 177.83 2fsh n VAL 672 N 4.99 0.47 -0.30 1.11 0.31 -1.26 -4.72 118.33 118.93 2fsh n VAL 672 Ca -0.10 -0.74 -0.01 0.00 -0.01 0.00 0.00 64.34 63.49 2fsh n VAL 672 Cb 0.48 0.90 0.03 0.00 -0.91 0.00 0.00 33.84 34.33 2fsh n VAL 672 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2fsh n SER 673 N 0.67 -0.52 -0.12 4.52 7.64 -1.26 -1.28 113.62 123.26 2fsh n SER 673 Ca 0.10 1.36 -0.11 0.00 1.01 0.00 0.00 58.87 61.23 2fsh n SER 673 Cb 0.37 -0.31 -0.02 0.00 -1.01 0.00 0.00 64.21 63.25 2fsh n SER 673 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2fsh h GLU 674 N 0.00 0.65 -0.21 1.43 4.81 -2.00 0.57 114.58 119.84 2fsh h GLU 674 Ca 0.26 -0.23 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 2fsh h GLU 674 Cb 0.46 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 2fsh h GLU 674 CO -0.77 0.79 0.09 1.15 -0.73 0.00 0.00 179.01 179.53 2fsh h THR 675 N 0.45 0.97 -0.27 0.32 2.02 -1.68 -0.77 112.91 113.95 2fsh h THR 675 Ca 0.10 -0.07 0.06 0.00 0.77 0.00 0.00 66.41 67.27 2fsh h THR 675 Cb 0.52 0.76 -0.06 0.00 -1.74 0.00 0.00 68.15 67.62 2fsh h THR 675 CO 0.03 0.04 -0.13 0.40 0.37 0.00 0.00 175.52 176.22 2fsh h ILE 676 N 0.19 0.59 -0.54 3.11 1.08 -0.89 0.28 117.51 121.33 2fsh h ILE 676 Ca 0.09 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.61 2fsh h ILE 676 Cb 0.04 0.59 -0.05 0.00 -3.07 0.00 0.00 36.82 34.34 2fsh h ILE 676 CO -0.08 0.00 0.27 0.78 -0.69 0.00 0.00 178.15 178.44 2fsh h ASN 677 N -0.10 0.39 -0.17 1.72 2.35 -0.68 0.55 115.58 119.64 2fsh h ASN 677 Ca 0.14 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 2fsh h ASN 677 Cb 0.31 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 2fsh h ASN 677 CO -0.33 0.27 0.01 -1.28 -1.65 0.00 0.00 177.43 174.44 2fsh h SER 678 N 0.53 0.28 1.24 5.81 0.87 -0.58 -2.74 113.55 118.97 2fsh h SER 678 Ca 0.24 -0.29 -0.03 0.00 -1.23 0.00 0.00 61.79 60.48 2fsh h SER 678 Cb 0.16 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 2fsh h SER 678 CO -0.17 0.50 -0.16 0.16 -0.53 0.00 0.00 176.83 176.63 2fsh h ILE 679 N 0.05 0.35 -0.83 2.23 3.07 -0.17 -2.86 117.51 119.35 2fsh h ILE 679 Ca 0.05 -1.09 -0.03 0.00 1.55 0.00 0.00 64.86 65.34 2fsh h ILE 679 Cb 0.35 1.84 -0.04 0.00 -0.27 0.00 0.00 36.82 38.70 2fsh h ILE 679 CO 0.01 0.16 0.41 -0.09 -1.05 0.00 0.00 178.15 177.59 2fsh h ARG 680 N 0.00 1.17 -0.23 0.16 2.43 -0.59 0.20 114.38 117.52 2fsh h ARG 680 Ca -0.00 -0.16 -0.19 0.00 -0.81 0.00 0.00 59.98 58.82 2fsh h ARG 680 Cb 0.83 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 2fsh h ARG 680 CO 0.02 0.89 -0.61 0.93 -1.51 0.00 0.00 179.97 179.69 2fsh h GLU 681 N 1.17 0.77 -0.78 0.20 5.08 -1.34 -2.03 114.58 117.65 2fsh h GLU 681 Ca 0.29 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2fsh h GLU 681 Cb 0.09 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 2fsh h GLU 681 CO -0.04 1.15 0.50 -0.44 -1.00 0.00 0.00 179.01 179.17 2fsh h ASP 682 N 0.57 0.92 -0.14 1.42 3.32 -1.28 -0.79 116.42 120.44 2fsh h ASP 682 Ca -0.00 -0.04 -0.19 0.00 0.02 0.00 0.00 57.03 56.82 2fsh h ASP 682 Cb 1.21 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.53 2fsh h ASP 682 CO 0.13 0.69 -0.61 0.58 -1.72 0.00 0.00 179.24 178.30 2fsh h VAL 683 N 1.06 1.29 -0.22 -1.35 2.07 -0.34 -2.14 116.25 116.62 2fsh h VAL 683 Ca 0.28 -1.83 -0.10 0.00 0.82 0.00 0.00 66.70 65.87 2fsh h VAL 683 Cb -0.08 1.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2fsh h VAL 683 CO -0.06 0.58 -0.25 -0.26 0.02 0.00 0.00 177.57 177.61 2fsh h PHE 684 N 0.55 0.68 -0.05 1.57 0.04 -1.29 0.74 116.94 119.19 2fsh h PHE 684 Ca -0.00 -0.21 0.02 0.00 2.80 0.00 0.00 57.97 60.57 2fsh h PHE 684 Cb 1.20 -0.14 -0.05 0.00 2.20 0.00 0.00 35.95 39.17 2fsh h PHE 684 CO 0.07 0.91 -0.42 -0.22 -0.60 0.00 0.00 178.31 178.05 2fsh h LYS 685 N 0.25 -0.48 -0.98 1.51 3.64 -1.11 0.45 116.57 119.87 2fsh h LYS 685 Ca 0.03 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.48 2fsh h LYS 685 Cb 0.81 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.68 2fsh h LYS 685 CO 0.06 -0.32 0.64 0.00 -2.27 0.00 0.00 179.45 177.56 2fsh h ALA 686 N -0.62 1.36 -0.29 5.00 0.00 -1.35 0.21 119.26 123.56 2fsh h ALA 686 Ca 0.02 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2fsh h ALA 686 Cb 0.55 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2fsh h ALA 686 CO -0.31 0.55 -0.19 1.15 0.00 0.00 0.00 179.25 180.45 2fsh h THR 687 N 1.24 1.30 -0.48 0.00 2.02 -0.44 -3.02 112.91 113.54 2fsh h THR 687 Ca 0.39 -1.31 -0.11 0.00 0.77 0.00 0.00 66.41 66.14 2fsh h THR 687 Cb -0.01 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 2fsh h THR 687 CO -0.12 0.42 -0.13 0.40 0.37 0.00 0.00 175.52 176.47 2fsh h ILE 688 N 0.39 1.26 -0.59 3.11 2.04 0.42 -2.95 117.51 121.19 2fsh h ILE 688 Ca 0.06 -1.25 0.13 0.00 1.00 0.00 0.00 64.86 64.80 2fsh h ILE 688 Cb 0.73 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 2fsh h ILE 688 CO 0.05 0.43 0.41 0.44 0.00 0.00 0.00 178.15 179.48 2fsh h ASP 689 N 0.80 0.23 0.39 1.72 3.32 -0.48 0.54 116.42 122.95 2fsh h ASP 689 Ca 0.13 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2fsh h ASP 689 Cb 0.66 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.17 2fsh h ASP 689 CO 0.05 0.13 0.00 0.00 -1.72 0.00 0.00 179.24 177.70 2fsh h ALA 690 N 1.71 1.00 0.00 3.45 0.00 -1.47 -3.22 119.26 120.74 2fsh h ALA 690 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2fsh h ALA 690 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2fsh h ALA 690 CO -0.06 0.00 -0.92 0.66 0.00 0.00 0.00 179.25 178.93 2fsh n TYR 691 N -2.89 0.00 -3.84 0.00 4.01 -0.08 -4.88 117.16 109.48 2fsh n TYR 691 Ca -0.01 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.42 2fsh n TYR 691 Cb 0.15 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.07 2fsh n TYR 691 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2fsh s ILE 692 N -1.91 3.22 0.17 -0.72 1.01 -0.01 0.02 121.20 122.97 2fsh s ILE 692 Ca 0.00 -3.91 -0.34 0.00 0.00 0.00 0.00 60.65 56.40 2fsh s ILE 692 Cb 0.00 -3.10 -0.14 0.00 0.01 0.00 0.00 42.46 39.23 2fsh s ILE 692 CO 0.00 -0.97 1.53 -2.65 0.00 0.00 0.00 174.94 172.85 2fsh n PRO 693 N 2.38 2.06 -1.62 2.79 -0.02 -1.22 -4.43 135.00 134.95 2fsh n PRO 693 Ca 0.16 0.74 -0.49 0.00 -2.02 0.00 0.00 63.50 61.89 2fsh n PRO 693 Cb 0.35 -2.48 -0.05 0.00 -0.02 0.00 0.00 33.50 31.30 2fsh n PRO 693 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2fsh n PRO 694 N 3.12 1.51 -2.33 0.52 -0.02 -1.26 -0.72 135.00 135.82 2fsh n PRO 694 Ca 0.16 0.54 -0.20 0.00 -2.02 0.00 0.00 63.50 61.98 2fsh n PRO 694 Cb 0.28 -2.19 -0.01 0.00 -0.02 0.00 0.00 33.50 31.56 2fsh n PRO 694 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2fsh n GLN 695 N 2.53 -1.59 -2.39 -0.52 6.02 -1.26 -4.99 117.38 115.19 2fsh n GLN 695 Ca 0.17 0.99 -0.25 0.00 -0.01 0.00 0.00 57.00 57.89 2fsh n GLN 695 Cb 0.24 -5.59 0.05 0.00 1.02 0.00 0.00 30.24 25.96 2fsh n GLN 695 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2fsh s SER 696 N -2.14 5.23 0.83 1.08 1.04 0.10 -5.10 113.70 114.74 2fsh s SER 696 Ca 0.00 0.47 -0.12 0.00 0.48 0.00 0.00 55.95 56.77 2fsh s SER 696 Cb 0.00 -1.31 0.10 0.00 0.10 0.00 0.00 66.02 64.91 2fsh s SER 696 CO 0.00 -1.28 1.19 -0.76 0.98 0.00 0.00 173.24 173.37 2fsh s LEU 697 N -5.04 2.49 0.26 2.42 1.43 -1.26 -4.92 118.68 114.06 2fsh s LEU 697 Ca 0.57 0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 54.39 2fsh s LEU 697 Cb -0.11 -3.16 0.35 0.00 0.03 0.00 0.00 46.19 43.30 2fsh s LEU 697 CO 0.43 -2.04 1.73 -0.08 0.23 0.00 0.00 176.35 176.63 2fsh h GLU 698 N -1.15 0.69 -0.06 1.70 4.81 -1.98 -1.77 114.58 116.81 2fsh h GLU 698 Ca -0.46 -0.22 0.02 0.00 -0.13 0.00 0.00 59.36 58.57 2fsh h GLU 698 Cb 1.32 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 2fsh h GLU 698 CO 0.63 0.78 0.27 1.05 -0.73 0.00 0.00 179.01 181.00 2fsh h GLU 699 N 0.63 0.00 0.00 1.92 4.11 -2.03 0.97 114.58 120.18 2fsh h GLU 699 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.54 2fsh h GLU 699 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2fsh h GLU 699 CO 0.03 0.00 -0.70 -1.33 0.07 0.00 0.00 179.01 177.08 2fsh n MET 700 N -3.11 0.29 -2.24 1.06 2.81 -0.67 -4.93 117.12 110.33 2fsh n MET 700 Ca -0.01 0.07 -0.41 0.00 -1.81 0.00 0.00 57.70 55.54 2fsh n MET 700 Cb 0.34 -1.67 -0.03 0.00 -0.71 0.00 0.00 33.22 31.15 2fsh n MET 700 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 2fsh s TRP 701 N -3.17 3.24 -0.72 2.03 0.52 0.33 -4.68 118.94 116.49 2fsh s TRP 701 Ca 0.06 1.46 -0.01 0.00 0.02 0.00 0.00 56.10 57.63 2fsh s TRP 701 Cb 0.14 -3.55 0.18 0.00 -1.15 0.00 0.00 33.47 29.08 2fsh s TRP 701 CO 0.74 -1.48 0.55 0.34 0.02 0.00 0.00 176.95 177.11 2fsh s ASP 702 N -0.44 5.38 0.08 2.95 2.15 0.10 -4.95 116.67 121.94 2fsh s ASP 702 Ca 0.49 -3.29 -0.15 0.00 0.43 0.00 0.00 52.55 50.04 2fsh s ASP 702 Cb -0.37 -1.83 -0.17 0.00 -0.30 0.00 0.00 42.92 40.25 2fsh s ASP 702 CO 0.47 -0.26 1.27 0.40 -0.17 0.00 0.00 175.17 176.88 2fsh h ILE 703 N 4.77 1.31 -0.43 4.11 1.08 -1.94 -1.35 117.51 125.06 2fsh h ILE 703 Ca 0.06 -1.92 0.09 0.00 -0.39 0.00 0.00 64.86 62.70 2fsh h ILE 703 Cb 0.88 2.08 -0.09 0.00 -3.07 0.00 0.00 36.82 36.62 2fsh h ILE 703 CO 0.76 0.60 -0.18 -0.65 -0.69 0.00 0.00 178.15 177.99 2fsh h PRO 704 N 0.37 -0.08 -0.25 2.37 0.11 -1.99 0.14 132.00 132.67 2fsh h PRO 704 Ca -0.05 0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.01 2fsh h PRO 704 Cb 1.32 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 2fsh h PRO 704 CO 0.14 -0.06 -0.10 0.78 -0.21 0.00 0.00 178.00 178.56 2fsh h GLY 705 N -0.09 0.42 0.69 -0.55 0.00 -1.97 -2.78 103.07 98.81 2fsh h GLY 705 Ca 0.21 -0.27 -0.08 0.00 0.00 0.00 0.00 47.33 47.19 2fsh h GLY 705 CO -0.49 0.25 -0.24 -2.00 0.00 0.00 0.00 176.54 174.06 2fsh h LEU 706 N 0.37 0.37 -0.44 3.11 5.85 -0.82 -2.65 115.31 121.10 2fsh h LEU 706 Ca 0.08 -0.58 0.09 0.00 0.84 0.00 0.00 57.88 58.30 2fsh h LEU 706 Cb 0.40 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.25 2fsh h LEU 706 CO 0.02 0.89 -0.06 1.56 -0.34 0.00 0.00 178.44 180.51 2fsh h GLN 707 N -0.12 0.05 -0.31 1.25 4.20 -0.62 0.21 115.11 119.76 2fsh h GLN 707 Ca -0.00 -0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.59 2fsh h GLN 707 Cb 0.84 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 2fsh h GLN 707 CO 0.05 0.03 -0.27 0.93 -0.67 0.00 0.00 178.83 178.90 2fsh h GLU 708 N 0.05 0.63 -0.20 1.46 4.39 -1.56 -0.92 114.58 118.42 2fsh h GLU 708 Ca 0.22 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 2fsh h GLU 708 Cb 0.33 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 2fsh h GLU 708 CO -0.42 0.83 0.10 -0.09 -1.16 0.00 0.00 179.01 178.28 2fsh h ARG 709 N 0.54 0.29 -0.44 2.33 9.65 -0.98 1.11 114.38 126.88 2fsh h ARG 709 Ca 0.07 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.88 2fsh h ARG 709 Cb 0.75 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.25 2fsh h ARG 709 CO 0.06 0.30 0.16 -0.07 2.80 0.00 0.00 179.97 183.21 2fsh h LEU 710 N 0.20 0.62 0.50 3.80 3.38 -0.90 -0.05 115.31 122.87 2fsh h LEU 710 Ca 0.07 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2fsh h LEU 710 Cb 0.10 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2fsh h LEU 710 CO -0.01 0.64 -0.40 0.11 0.09 0.00 0.00 178.44 178.87 2fsh h LYS 711 N 0.56 -0.86 -0.52 1.13 1.57 -0.56 -0.44 116.57 117.45 2fsh h LYS 711 Ca 0.14 0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.90 2fsh h LYS 711 Cb 0.23 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 2fsh h LYS 711 CO -0.01 -0.57 0.00 -0.91 -0.57 0.00 0.00 179.45 177.40 2fsh h ASN 712 N -0.89 0.85 0.00 0.86 2.35 0.14 -2.27 115.58 116.63 2fsh h ASN 712 Ca -0.05 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 2fsh h ASN 712 Cb 0.76 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.90 2fsh h ASN 712 CO -0.00 0.91 -1.09 0.47 -1.65 0.00 0.00 177.43 176.08 2fsh n ASP 713 N -4.20 1.05 0.00 5.81 10.43 -0.04 -4.60 116.55 124.99 2fsh n ASP 713 Ca 0.03 -0.50 0.00 0.00 2.57 0.00 0.00 54.79 56.88 2fsh n ASP 713 Cb 0.31 1.28 0.00 0.00 1.84 0.00 0.00 41.12 44.55 2fsh n ASP 713 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 2fsh n PHE 714 N -1.62 0.00 -3.97 1.24 3.72 -0.23 -4.50 117.46 112.10 2fsh n PHE 714 Ca 0.01 -0.18 -0.31 0.00 -0.05 0.00 0.00 57.45 56.92 2fsh n PHE 714 Cb 0.29 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 38.78 2fsh n PHE 714 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2fsh n ASP 715 N -0.18 -1.20 -3.64 4.37 8.00 -0.85 -4.42 116.55 118.62 2fsh n ASP 715 Ca 0.00 -1.02 -0.29 0.00 0.71 0.00 0.00 54.79 54.19 2fsh n ASP 715 Cb 0.37 -1.24 -0.14 0.00 -0.02 0.00 0.00 41.12 40.09 2fsh n ASP 715 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2fsh s LEU 716 N -6.70 1.85 -0.73 0.64 2.96 -0.85 -4.94 118.68 110.90 2fsh s LEU 716 Ca 0.19 -2.02 -0.11 0.00 -0.22 0.00 0.00 54.13 51.97 2fsh s LEU 716 Cb -0.11 -0.74 0.19 0.00 0.50 0.00 0.00 46.19 46.03 2fsh s LEU 716 CO 0.77 -0.35 0.63 -0.62 -1.32 0.00 0.00 176.35 175.47 2fsh s ASP 717 N 1.17 6.25 -0.03 3.68 3.68 -1.26 -2.04 116.67 128.12 2fsh s ASP 717 Ca 0.14 -2.61 0.01 0.00 2.13 0.00 0.00 52.55 52.21 2fsh s ASP 717 Cb -0.21 -2.10 -0.03 0.00 -1.45 0.00 0.00 42.92 39.12 2fsh s ASP 717 CO -0.13 -0.55 -0.00 -0.76 0.13 0.00 0.00 175.17 173.86 2fsh s LEU 718 N 0.29 3.52 -1.38 -1.34 1.43 -1.26 -5.03 118.68 114.91 2fsh s LEU 718 Ca 0.16 0.03 -0.08 0.00 -1.03 0.00 0.00 54.13 53.21 2fsh s LEU 718 Cb -0.15 -1.95 0.08 0.00 0.03 0.00 0.00 46.19 44.20 2fsh s LEU 718 CO -0.06 0.31 2.39 -0.81 0.23 0.00 0.00 176.35 178.41 2fsh n PRO 719 N 1.62 4.14 -0.13 1.29 -0.04 -1.26 -4.79 135.00 135.83 2fsh n PRO 719 Ca -0.16 -3.18 -0.09 0.00 -0.04 0.00 0.00 63.50 60.03 2fsh n PRO 719 Cb 0.53 -2.76 -0.01 0.00 -0.04 0.00 0.00 33.50 31.22 2fsh n PRO 719 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2fsh h ILE 720 N 2.98 1.20 -0.73 0.52 2.04 -1.95 -1.64 117.51 119.92 2fsh h ILE 720 Ca 0.67 -0.63 0.14 0.00 1.00 0.00 0.00 64.86 66.04 2fsh h ILE 720 Cb 0.38 0.91 -0.09 0.00 -0.74 0.00 0.00 36.82 37.28 2fsh h ILE 720 CO 1.59 0.22 0.28 0.00 0.00 0.00 0.00 178.15 180.25 2fsh h ALA 721 N 0.98 1.01 -0.12 1.87 0.00 -1.91 -1.88 119.26 119.22 2fsh h ALA 721 Ca 0.12 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.19 2fsh h ALA 721 Cb 0.21 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 2fsh h ALA 721 CO -0.01 -0.21 -0.20 0.93 0.00 0.00 0.00 179.25 179.76 2fsh h GLU 722 N 0.43 -0.25 0.18 0.00 3.07 -1.73 -1.64 114.58 114.63 2fsh h GLU 722 Ca 0.40 0.02 0.01 0.00 -0.50 0.00 0.00 59.36 59.29 2fsh h GLU 722 Cb 0.59 0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.52 2fsh h GLU 722 CO -0.39 -0.17 -0.43 -1.49 -1.40 0.00 0.00 179.01 175.13 2fsh h TRP 723 N -0.26 -1.19 -0.07 4.33 6.55 -0.67 -1.50 115.95 123.14 2fsh h TRP 723 Ca 0.09 0.03 0.01 0.00 0.95 0.00 0.00 58.89 59.97 2fsh h TRP 723 Cb 0.40 0.50 -0.01 0.00 -0.86 0.00 0.00 29.16 29.18 2fsh h TRP 723 CO -0.30 -0.53 0.00 -0.07 -1.05 0.00 0.00 178.44 176.49 2fsh h LEU 724 N -0.70 -0.02 -0.01 -4.49 3.38 -1.05 0.24 115.31 112.67 2fsh h LEU 724 Ca 0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2fsh h LEU 724 Cb 0.70 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2fsh h LEU 724 CO -0.21 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 177.42 2fsh n ASP 725 N -5.10 0.01 -0.08 -0.43 5.68 -0.65 -3.17 116.55 112.80 2fsh n ASP 725 Ca -0.05 0.50 -0.11 0.00 -0.50 0.00 0.00 54.79 54.63 2fsh n ASP 725 Cb 0.05 -0.50 -0.10 0.00 -1.14 0.00 0.00 41.12 39.43 2fsh n ASP 725 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2fsh n LYS 726 N -1.51 0.96 -3.62 0.11 5.02 -0.20 -4.86 118.16 114.07 2fsh n LYS 726 Ca 0.03 0.06 -0.39 0.00 -2.02 0.00 0.00 58.31 55.99 2fsh n LYS 726 Cb 0.17 -1.38 -0.09 0.00 -0.02 0.00 0.00 35.03 33.71 2fsh n LYS 726 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2fsh s GLU 727 N -2.37 2.56 0.00 1.97 1.03 0.67 -4.90 118.70 117.67 2fsh s GLU 727 Ca -0.18 -2.10 0.04 0.00 0.03 0.00 0.00 54.97 52.77 2fsh s GLU 727 Cb 0.06 -3.87 0.25 0.00 -0.80 0.00 0.00 34.13 29.77 2fsh s GLU 727 CO 0.50 -1.18 0.61 -2.30 -1.33 0.00 0.00 175.26 171.57 2fsh n PRO 728 N 4.30 0.31 -0.05 -4.83 -0.02 -1.26 -2.50 135.00 130.94 2fsh n PRO 728 Ca 0.01 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.39 2fsh n PRO 728 Cb 0.41 -1.21 -0.09 0.00 -0.02 0.00 0.00 33.50 32.58 2fsh n PRO 728 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2fsh h GLU 729 N 0.00 -0.02 -5.02 -0.52 4.39 -1.92 -3.47 114.58 108.03 2fsh h GLU 729 Ca 0.00 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.21 2fsh h GLU 729 Cb 0.00 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 28.57 2fsh h GLU 729 CO 0.00 0.64 1.77 -0.11 -1.16 0.00 0.00 179.01 180.16 2fsh n LEU 730 N -4.70 0.21 -4.92 1.33 7.94 -1.04 -4.99 117.00 110.84 2fsh n LEU 730 Ca -0.07 0.10 -0.27 0.00 -1.11 0.00 0.00 56.01 54.65 2fsh n LEU 730 Cb 0.33 -0.91 0.09 0.00 0.53 0.00 0.00 43.42 43.45 2fsh n LEU 730 CO 0.24 -0.81 0.71 -1.38 -1.11 0.00 0.00 177.39 175.04 2fsh s HIS 731 N 8.41 2.75 0.23 1.96 -3.43 -1.26 -4.92 115.29 119.02 2fsh s HIS 731 Ca 1.34 0.52 -0.07 0.00 -0.80 0.00 0.00 55.06 56.05 2fsh s HIS 731 Cb -1.19 -3.40 0.31 0.00 -1.43 0.00 0.00 32.58 26.87 2fsh s HIS 731 CO 0.49 -1.69 1.82 1.49 -2.00 0.00 0.00 174.74 174.85 2fsh h GLU 732 N -0.88 0.75 -0.76 -0.38 4.81 -1.95 -2.28 114.58 113.88 2fsh h GLU 732 Ca -0.45 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.70 2fsh h GLU 732 Cb 1.31 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 2fsh h GLU 732 CO 0.59 0.49 0.32 1.49 -0.73 0.00 0.00 179.01 181.18 2fsh h GLU 733 N 0.77 1.12 0.00 1.92 4.81 -2.00 -2.06 114.58 119.14 2fsh h GLU 733 Ca 0.34 -0.19 -0.12 0.00 -0.13 0.00 0.00 59.36 59.27 2fsh h GLU 733 Cb 0.24 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 2fsh h GLU 733 CO -0.20 0.90 -0.58 1.79 -0.73 0.00 0.00 179.01 180.18 2fsh h THR 734 N 1.10 1.22 -0.46 0.32 1.35 -1.82 -2.78 112.91 111.83 2fsh h THR 734 Ca 0.26 -2.13 -0.08 0.00 -0.55 0.00 0.00 66.41 63.92 2fsh h THR 734 Cb 0.18 2.21 -0.02 0.00 -1.73 0.00 0.00 68.15 68.80 2fsh h THR 734 CO -0.03 0.57 -0.01 0.25 -0.25 0.00 0.00 175.52 176.06 2fsh h LEU 735 N 0.00 0.80 -0.50 3.87 6.46 -1.22 -2.24 115.31 122.49 2fsh h LEU 735 Ca -0.01 -0.31 0.04 0.00 -0.12 0.00 0.00 57.88 57.48 2fsh h LEU 735 Cb 1.17 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.84 2fsh h LEU 735 CO 0.08 0.92 0.27 0.03 -0.62 0.00 0.00 178.44 179.11 2fsh h ARG 736 N 0.67 0.51 -0.16 1.25 3.08 -1.31 -2.27 114.38 116.14 2fsh h ARG 736 Ca 0.13 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 2fsh h ARG 736 Cb 0.51 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 2fsh h ARG 736 CO 0.02 0.33 -0.01 0.93 -1.07 0.00 0.00 179.97 180.18 2fsh h GLU 737 N 0.52 0.28 -0.86 0.04 5.08 -1.45 -1.87 114.58 116.32 2fsh h GLU 737 Ca 0.22 -0.09 0.09 0.00 -1.00 0.00 0.00 59.36 58.57 2fsh h GLU 737 Cb 0.10 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.26 2fsh h GLU 737 CO -0.14 0.52 0.51 0.00 -1.00 0.00 0.00 179.01 178.90 2fsh h ARG 738 N 0.01 0.85 0.03 2.33 2.47 -1.29 0.23 114.38 119.01 2fsh h ARG 738 Ca 0.04 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 2fsh h ARG 738 Cb 0.40 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 2fsh h ARG 738 CO 0.01 0.56 -0.02 0.82 0.56 0.00 0.00 179.97 181.90 2fsh h ILE 739 N 0.87 1.16 0.42 2.04 2.04 -1.27 -0.69 117.51 122.08 2fsh h ILE 739 Ca 0.41 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 2fsh h ILE 739 Cb 0.33 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 2fsh h ILE 739 CO -0.23 0.16 -0.45 0.25 0.00 0.00 0.00 178.15 177.88 2fsh h LEU 740 N -0.31 -1.23 -0.92 1.44 5.85 -0.69 -1.98 115.31 117.46 2fsh h LEU 740 Ca -0.00 0.10 0.26 0.00 0.84 0.00 0.00 57.88 59.08 2fsh h LEU 740 Cb 0.29 0.41 -0.16 0.00 0.37 0.00 0.00 40.66 41.57 2fsh h LEU 740 CO 0.01 -0.59 0.16 0.00 -0.34 0.00 0.00 178.44 177.67 2fsh h ALA 741 N -0.59 1.25 -0.36 1.25 0.00 -0.53 -0.52 119.26 119.75 2fsh h ALA 741 Ca -0.04 0.27 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 2fsh h ALA 741 Cb 0.79 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2fsh h ALA 741 CO -0.08 -0.54 -0.02 0.37 0.00 0.00 0.00 179.25 178.98 2fsh h GLN 742 N 0.11 0.65 -0.25 0.00 5.75 -0.76 -0.25 115.11 120.36 2fsh h GLN 742 Ca 0.58 -0.22 0.06 0.00 -0.15 0.00 0.00 58.65 58.92 2fsh h GLN 742 Cb 1.20 -0.05 -0.06 0.00 1.07 0.00 0.00 27.48 29.65 2fsh h GLN 742 CO -0.77 0.77 -0.11 0.66 -2.65 0.00 0.00 178.83 176.74 2fsh h SER 743 N 0.46 -0.38 -0.05 -0.69 4.64 -0.38 -1.50 113.55 115.66 2fsh h SER 743 Ca 0.10 0.09 0.01 0.00 -0.47 0.00 0.00 61.79 61.52 2fsh h SER 743 Cb 0.49 0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 2fsh h SER 743 CO 0.02 -0.14 -0.01 0.40 -0.87 0.00 0.00 176.83 176.23 2fsh h ILE 744 N -0.07 0.95 -0.87 0.95 2.04 -1.02 -1.80 117.51 117.69 2fsh h ILE 744 Ca 0.13 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.07 2fsh h ILE 744 Cb 0.27 0.95 -0.07 0.00 -0.74 0.00 0.00 36.82 37.23 2fsh h ILE 744 CO -0.30 0.00 0.53 -0.33 0.00 0.00 0.00 178.15 178.05 2fsh h GLU 745 N -0.00 0.89 -0.56 2.37 5.08 -0.73 -0.16 114.58 121.46 2fsh h GLU 745 Ca 0.02 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 2fsh h GLU 745 Cb 0.04 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 2fsh h GLU 745 CO -0.05 0.59 0.13 0.28 -1.00 0.00 0.00 179.01 178.96 2fsh h VAL 746 N 0.92 1.23 -0.03 3.13 2.07 -0.81 -2.56 116.25 120.21 2fsh h VAL 746 Ca 0.40 -0.86 -0.16 0.00 0.82 0.00 0.00 66.70 66.89 2fsh h VAL 746 Cb 0.27 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2fsh h VAL 746 CO -0.21 0.32 -0.73 0.22 0.02 0.00 0.00 177.57 177.20 2fsh h TYR 747 N 0.84 0.22 -0.08 1.57 5.03 -0.36 -2.88 116.97 121.31 2fsh h TYR 747 Ca 0.18 -0.10 -0.13 0.00 2.58 0.00 0.00 58.73 61.26 2fsh h TYR 747 Cb 0.32 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.56 2fsh h TYR 747 CO 0.02 0.83 -0.53 1.96 -1.32 0.00 0.00 178.16 179.12 2fsh h GLN 748 N 0.11 0.23 -0.06 1.82 1.08 -0.74 -1.16 115.11 116.38 2fsh h GLN 748 Ca -0.02 -0.14 -0.16 0.00 -1.45 0.00 0.00 58.65 56.89 2fsh h GLN 748 Cb 1.28 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.72 2fsh h GLN 748 CO 0.11 0.70 -0.65 0.07 -0.95 0.00 0.00 178.83 178.11 2fsh h ARG 749 N 0.18 0.26 -0.15 1.46 0.11 -1.38 -1.08 114.38 113.78 2fsh h ARG 749 Ca 0.00 -0.19 -0.00 0.00 0.10 0.00 0.00 59.98 59.89 2fsh h ARG 749 Cb 0.99 0.03 -0.01 0.00 1.11 0.00 0.00 29.97 32.10 2fsh h ARG 749 CO 0.08 0.82 0.08 0.87 0.10 0.00 0.00 179.97 181.92 2fsh h LYS 750 N 0.19 0.21 -0.91 0.08 1.57 -1.23 -2.70 116.57 113.78 2fsh h LYS 750 Ca -0.01 -0.02 0.12 0.00 -1.87 0.00 0.00 60.65 58.86 2fsh h LYS 750 Cb 1.18 -0.04 -0.08 0.00 0.08 0.00 0.00 32.23 33.36 2fsh h LYS 750 CO 0.10 0.22 0.53 1.49 -0.57 0.00 0.00 179.45 181.22 2fsh h GLU 751 N 0.15 0.81 -0.44 3.15 4.81 -1.14 -1.53 114.58 120.38 2fsh h GLU 751 Ca 0.05 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 2fsh h GLU 751 Cb 0.07 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 2fsh h GLU 751 CO -0.01 0.53 0.30 0.93 -0.73 0.00 0.00 179.01 180.03 2fsh h GLU 752 N 0.83 0.50 -0.01 1.92 5.08 -0.89 0.50 114.58 122.51 2fsh h GLU 752 Ca 0.46 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.64 2fsh h GLU 752 Cb 0.50 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.65 2fsh h GLU 752 CO -0.28 0.33 -0.57 0.28 -1.00 0.00 0.00 179.01 177.77 2fsh h VAL 753 N 0.51 1.43 0.18 3.13 2.07 -1.01 -3.37 116.25 119.19 2fsh h VAL 753 Ca 0.18 -2.04 -0.32 0.00 0.82 0.00 0.00 66.70 65.34 2fsh h VAL 753 Cb 0.08 2.56 0.01 0.00 -1.52 0.00 0.00 31.29 32.42 2fsh h VAL 753 CO -0.04 0.59 -1.54 0.58 0.02 0.00 0.00 177.57 177.17 2fsh h VAL 754 N -0.10 1.07 0.00 2.57 2.07 -1.34 -3.51 116.25 117.00 2fsh h VAL 754 Ca -0.07 -2.52 0.00 0.00 0.82 0.00 0.00 66.70 64.93 2fsh h VAL 754 Cb 1.27 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 33.88 2fsh h VAL 754 CO 0.11 0.80 0.00 0.61 0.02 0.00 0.00 177.57 179.11 2fsh n GLY 755 N 1.79 2.64 0.34 2.17 0.00 0.17 -4.71 105.19 107.60 2fsh n GLY 755 Ca -0.22 -1.81 -0.16 0.00 0.00 0.00 0.00 46.02 43.82 2fsh n GLY 755 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fsh h ALA 756 N 0.00 -0.81 -0.86 4.61 0.00 -1.95 -2.17 119.26 118.09 2fsh h ALA 756 Ca 0.00 -0.20 0.20 0.00 0.00 0.00 0.00 54.91 54.91 2fsh h ALA 756 Cb 0.00 0.31 -0.12 0.00 0.00 0.00 0.00 17.79 17.99 2fsh h ALA 756 CO 0.00 -0.87 0.36 0.93 0.00 0.00 0.00 179.25 179.68 2fsh h GLU 757 N -0.98 0.41 -0.54 0.00 4.39 -1.96 0.48 114.58 116.38 2fsh h GLU 757 Ca -0.08 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.50 2fsh h GLU 757 Cb 0.67 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 2fsh h GLU 757 CO 0.14 0.27 -0.02 1.98 -1.16 0.00 0.00 179.01 180.21 2fsh h MET 758 N 0.42 0.94 -0.26 2.33 4.05 -1.82 -2.40 114.93 118.17 2fsh h MET 758 Ca 0.52 -0.29 -0.16 0.00 -0.28 0.00 0.00 59.70 59.49 2fsh h MET 758 Cb 0.93 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.64 2fsh h MET 758 CO -0.50 0.94 -0.45 0.52 0.23 0.00 0.00 176.91 177.65 2fsh h MET 759 N 0.86 0.77 -0.64 0.39 2.86 -0.35 -0.69 114.93 118.13 2fsh h MET 759 Ca 0.15 -0.48 -0.02 0.00 -2.06 0.00 0.00 59.70 57.30 2fsh h MET 759 Cb 0.54 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.22 2fsh h MET 759 CO 0.03 1.11 0.33 0.00 1.06 0.00 0.00 176.91 179.44 2fsh h ARG 760 N 0.52 0.91 0.00 1.72 2.47 -0.04 -1.02 114.38 118.94 2fsh h ARG 760 Ca 0.02 -0.12 -0.17 0.00 -1.26 0.00 0.00 59.98 58.45 2fsh h ARG 760 Cb 1.05 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 29.18 2fsh h ARG 760 CO 0.10 0.70 -0.81 0.45 0.56 0.00 0.00 179.97 180.97 2fsh h HIS 761 N 0.88 0.04 -0.66 3.04 3.86 -1.37 -1.86 115.15 119.08 2fsh h HIS 761 Ca 0.22 -0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.34 2fsh h HIS 761 Cb 0.08 -0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.52 2fsh h HIS 761 CO -0.00 0.83 0.15 0.35 0.86 0.00 0.00 177.93 180.11 2fsh h PHE 762 N 0.02 1.11 0.12 2.45 3.57 -0.90 -0.85 116.94 122.46 2fsh h PHE 762 Ca -0.01 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.35 2fsh h PHE 762 Cb 1.43 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.85 2fsh h PHE 762 CO 0.00 0.92 -0.11 0.93 -2.23 0.00 0.00 178.31 177.83 2fsh h GLU 763 N 0.98 -0.23 -0.02 1.11 5.08 -0.91 0.64 114.58 121.23 2fsh h GLU 763 Ca 0.20 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.60 2fsh h GLU 763 Cb 0.38 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2fsh h GLU 763 CO 0.00 -0.16 -0.09 -0.22 -1.00 0.00 0.00 179.01 177.55 2fsh h LYS 764 N -0.24 -0.14 -0.91 2.33 3.64 -1.26 -0.65 116.57 119.33 2fsh h LYS 764 Ca -0.00 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 2fsh h LYS 764 Cb 0.22 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.03 2fsh h LYS 764 CO -0.02 -0.09 0.60 0.78 -2.27 0.00 0.00 179.45 178.45 2fsh h GLY 765 N -0.14 1.30 1.02 5.01 0.00 -0.95 -2.09 103.07 107.22 2fsh h GLY 765 Ca 0.04 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 46.85 2fsh h GLY 765 CO -0.10 0.42 0.16 -2.08 0.00 0.00 0.00 176.54 174.94 2fsh h VAL 766 N 1.18 1.25 -0.52 4.60 2.07 -0.55 -1.36 116.25 122.93 2fsh h VAL 766 Ca 0.35 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.98 2fsh h VAL 766 Cb -0.05 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 2fsh h VAL 766 CO -0.09 0.34 0.34 0.24 0.02 0.00 0.00 177.57 178.41 2fsh h MET 767 N 0.89 0.69 -0.06 1.57 2.07 -0.78 -0.18 114.93 119.13 2fsh h MET 767 Ca 0.19 -0.05 -0.20 0.00 -2.07 0.00 0.00 59.70 57.58 2fsh h MET 767 Cb 0.34 -0.15 0.01 0.00 -1.87 0.00 0.00 31.60 29.93 2fsh h MET 767 CO -0.00 0.46 -0.73 -0.07 1.07 0.00 0.00 176.91 177.65 2fsh h LEU 768 N 0.70 0.75 -0.61 1.22 3.38 -1.31 -0.76 115.31 118.68 2fsh h LEU 768 Ca 0.19 -0.69 -0.05 0.00 0.09 0.00 0.00 57.88 57.42 2fsh h LEU 768 Cb -0.07 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 2fsh h LEU 768 CO -0.04 1.33 0.20 -0.61 0.09 0.00 0.00 178.44 179.41 2fsh h GLN 769 N 0.22 0.94 -0.50 1.13 4.15 -1.21 0.86 115.11 120.71 2fsh h GLN 769 Ca -0.07 -0.20 -0.13 0.00 0.77 0.00 0.00 58.65 59.01 2fsh h GLN 769 Cb 1.39 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.93 2fsh h GLN 769 CO 0.15 0.84 -0.20 1.15 -1.93 0.00 0.00 178.83 178.84 2fsh h THR 770 N 0.87 1.27 -0.05 2.39 2.02 -1.00 -2.19 112.91 116.22 2fsh h THR 770 Ca 0.20 -1.37 0.02 0.00 0.77 0.00 0.00 66.41 66.03 2fsh h THR 770 Cb 0.28 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 2fsh h THR 770 CO -0.01 0.47 -0.07 0.25 0.37 0.00 0.00 175.52 176.54 2fsh h LEU 771 N 0.88 -0.21 -0.86 2.58 6.46 -0.90 -1.62 115.31 121.64 2fsh h LEU 771 Ca 0.12 0.04 0.09 0.00 -0.12 0.00 0.00 57.88 58.01 2fsh h LEU 771 Cb 0.78 0.10 -0.07 0.00 -0.73 0.00 0.00 40.66 40.74 2fsh h LEU 771 CO 0.06 -0.10 0.51 0.44 -0.62 0.00 0.00 178.44 178.73 2fsh h ASP 772 N -0.10 0.74 0.81 1.25 3.32 -0.71 -0.33 116.42 121.40 2fsh h ASP 772 Ca 0.05 0.04 -0.24 0.00 0.02 0.00 0.00 57.03 56.90 2fsh h ASP 772 Cb 0.17 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 2fsh h ASP 772 CO -0.11 0.43 -1.23 0.77 -1.72 0.00 0.00 179.24 177.38 2fsh h SER 773 N 0.85 0.05 0.43 6.45 4.64 -1.12 -1.05 113.55 123.81 2fsh h SER 773 Ca 0.41 -0.07 -0.09 0.00 -0.47 0.00 0.00 61.79 61.57 2fsh h SER 773 Cb 0.34 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 2fsh h SER 773 CO -0.24 1.05 -0.42 -0.07 -0.87 0.00 0.00 176.83 176.28 2fsh h LEU 774 N 0.01 0.00 -0.14 5.97 3.38 -1.17 -2.41 115.31 120.94 2fsh h LEU 774 Ca -0.10 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 2fsh h LEU 774 Cb 1.86 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.61 2fsh h LEU 774 CO 0.12 0.42 -0.14 -0.25 0.09 0.00 0.00 178.44 178.69 2fsh h TRP 775 N 0.00 0.41 -0.73 1.13 -0.00 -0.80 -0.29 115.95 115.68 2fsh h TRP 775 Ca -0.00 -0.12 0.15 0.00 -0.00 0.00 0.00 58.89 58.91 2fsh h TRP 775 Cb 0.75 -0.09 -0.10 0.00 -0.00 0.00 0.00 29.16 29.72 2fsh h TRP 775 CO 0.00 0.74 0.21 -0.22 -0.00 0.00 0.00 178.44 179.17 2fsh h LYS 776 N -0.03 0.31 -0.41 2.65 3.64 -1.17 0.19 116.57 121.75 2fsh h LYS 776 Ca 0.02 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 2fsh h LYS 776 Cb 0.67 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 2fsh h LYS 776 CO 0.03 0.20 -0.30 1.49 -2.27 0.00 0.00 179.45 178.61 2fsh h GLU 777 N 0.32 0.92 -0.41 1.90 4.81 -1.34 -2.65 114.58 118.12 2fsh h GLU 777 Ca 0.41 -0.45 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 2fsh h GLU 777 Cb 0.67 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 2fsh h GLU 777 CO -0.47 1.10 0.15 1.25 -0.73 0.00 0.00 179.01 180.31 2fsh h HIS 778 N 0.75 0.65 -0.86 0.92 2.76 -0.43 -2.14 115.15 116.79 2fsh h HIS 778 Ca 0.08 -0.06 0.13 0.00 -2.20 0.00 0.00 60.37 58.32 2fsh h HIS 778 Cb 0.89 -0.19 -0.09 0.00 1.55 0.00 0.00 27.41 29.57 2fsh h HIS 778 CO 0.06 0.59 0.47 -0.07 -1.30 0.00 0.00 177.93 177.67 2fsh h LEU 779 N 0.52 0.60 -0.44 0.26 3.38 -0.53 0.43 115.31 119.54 2fsh h LEU 779 Ca 0.14 0.08 -0.17 0.00 0.09 0.00 0.00 57.88 58.02 2fsh h LEU 779 Cb 0.23 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2fsh h LEU 779 CO -0.01 0.29 -0.51 0.00 0.09 0.00 0.00 178.44 178.30 2fsh h ALA 780 N 1.53 0.61 -0.05 1.53 0.00 -1.32 -0.47 119.26 121.09 2fsh h ALA 780 Ca 0.45 -0.50 -0.22 0.00 0.00 0.00 0.00 54.91 54.64 2fsh h ALA 780 Cb 0.57 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.28 2fsh h ALA 780 CO -0.32 0.68 -0.87 0.00 0.00 0.00 0.00 179.25 178.74 2fsh h ALA 781 N 0.85 0.38 -0.69 0.00 0.00 -0.97 -1.47 119.26 117.36 2fsh h ALA 781 Ca 0.02 -0.66 -0.07 0.00 0.00 0.00 0.00 54.91 54.20 2fsh h ALA 781 Cb 1.08 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 2fsh h ALA 781 CO 0.11 0.75 0.15 0.52 0.00 0.00 0.00 179.25 180.78 2fsh h MET 782 N 0.34 1.11 0.11 0.00 2.07 -0.02 -1.28 114.93 117.25 2fsh h MET 782 Ca -0.07 -0.27 0.01 0.00 -2.07 0.00 0.00 59.70 57.30 2fsh h MET 782 Cb 1.49 -0.14 -0.02 0.00 -1.87 0.00 0.00 31.60 31.06 2fsh h MET 782 CO 0.16 0.98 -0.15 0.22 1.07 0.00 0.00 176.91 179.19 2fsh h ASP 783 N 1.05 -0.42 -0.84 1.22 1.82 -1.01 -1.02 116.42 117.23 2fsh h ASP 783 Ca 0.22 0.05 0.08 0.00 -0.39 0.00 0.00 57.03 56.98 2fsh h ASP 783 Cb 0.39 0.16 -0.06 0.00 0.68 0.00 0.00 39.33 40.49 2fsh h ASP 783 CO 0.00 -0.23 0.55 1.88 -1.61 0.00 0.00 179.24 179.84 2fsh h TYR 784 N -0.31 0.91 -0.19 0.28 0.99 -1.17 -1.94 116.97 115.54 2fsh h TYR 784 Ca 0.02 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.76 2fsh h TYR 784 Cb 0.32 -0.30 -0.01 0.00 1.00 0.00 0.00 36.73 37.74 2fsh h TYR 784 CO -0.16 0.46 0.06 1.25 -0.00 0.00 0.00 178.16 179.77 2fsh h LEU 785 N 0.88 0.27 -0.27 3.88 5.85 -0.75 -2.41 115.31 122.76 2fsh h LEU 785 Ca 0.37 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 2fsh h LEU 785 Cb 0.30 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2fsh h LEU 785 CO -0.14 0.39 0.03 -0.09 -0.34 0.00 0.00 178.44 178.29 2fsh h ARG 786 N 0.14 0.45 0.00 1.25 2.43 -0.78 -2.52 114.38 115.36 2fsh h ARG 786 Ca 0.06 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 2fsh h ARG 786 Cb 0.22 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2fsh h ARG 786 CO -0.00 0.59 -0.07 -0.56 -1.51 0.00 0.00 179.97 178.41 2fsh h GLN 787 N 0.26 0.00 -0.01 0.20 3.07 -1.37 0.31 115.11 117.56 2fsh h GLN 787 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.82 2fsh h GLN 787 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.92 2fsh h GLN 787 CO 0.01 0.07 -0.02 0.41 0.09 0.00 0.00 178.83 179.39 2fsh n GLY 788 N -0.79 -0.63 3.60 0.06 0.00 -0.91 -4.75 105.19 101.77 2fsh n GLY 788 Ca -0.02 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 2fsh n GLY 788 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2fsh s ILE 789 N -2.08 3.85 0.00 -0.61 1.10 0.11 -4.02 121.20 119.55 2fsh s ILE 789 Ca 0.41 0.85 0.00 0.00 -0.51 0.00 0.00 60.65 61.40 2fsh s ILE 789 Cb 0.21 -4.20 0.00 0.00 0.15 0.00 0.00 42.46 38.62 2fsh s ILE 789 CO 0.38 -0.80 0.00 1.41 -2.11 0.00 0.00 174.94 173.82 2fsh n HIS 790 N 9.07 0.00 -3.11 3.50 8.25 -1.26 -4.99 115.22 126.67 2fsh n HIS 790 Ca 0.16 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.36 2fsh n HIS 790 Cb 0.48 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.54 2fsh n HIS 790 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2fsh n LEU 791 N 0.00 4.02 0.02 2.41 4.77 -1.26 -4.85 117.00 122.12 2fsh n LEU 791 Ca 0.00 -5.56 0.00 0.00 -0.03 0.00 0.00 56.01 50.42 2fsh n LEU 791 Cb 0.00 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 2fsh n LEU 791 CO 0.00 2.25 -0.24 -1.14 -1.33 0.00 0.00 177.39 176.94 2fsh n ARG 792 N 0.16 0.00 -3.50 3.23 0.63 -1.26 -5.05 116.66 110.87 2fsh n ARG 792 Ca 0.30 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.86 2fsh n ARG 792 Cb 0.41 -0.34 -0.09 0.00 0.45 0.00 0.00 32.46 32.89 2fsh n ARG 792 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2fsh s GLY 793 N -4.79 2.02 0.40 5.14 0.00 -1.26 -4.92 107.32 103.90 2fsh s GLY 793 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 43.99 2fsh s GLY 793 CO 0.00 0.66 0.00 1.58 0.00 0.00 0.00 173.10 175.34 2fsh n TYR 794 N 4.52 -4.30 -2.04 1.90 4.11 -1.13 -3.80 117.16 116.42 2fsh n TYR 794 Ca -0.11 1.34 -0.35 0.00 -0.00 0.00 0.00 57.90 58.78 2fsh n TYR 794 Cb 0.51 3.37 -0.04 0.00 -0.00 0.00 0.00 39.34 43.19 2fsh n TYR 794 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2fsh n ALA 795 N -3.32 2.71 0.00 -3.48 0.00 -1.26 -4.11 120.51 111.05 2fsh n ALA 795 Ca 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 53.44 50.11 2fsh n ALA 795 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 19.45 15.91 2fsh n ALA 795 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2fsh n GLN 796 N 7.98 0.00 -2.47 0.00 1.13 -1.26 -5.01 117.38 117.75 2fsh n GLN 796 Ca 0.47 0.00 -0.38 0.00 -1.94 0.00 0.00 57.00 55.15 2fsh n GLN 796 Cb 0.45 -0.05 -0.04 0.00 0.11 0.00 0.00 30.24 30.72 2fsh n GLN 796 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2fsh s LYS 797 N -0.00 4.29 0.10 -1.09 3.01 -1.26 -5.04 119.74 119.75 2fsh s LYS 797 Ca 0.00 1.67 -0.30 0.00 -1.01 0.00 0.00 55.97 56.33 2fsh s LYS 797 Cb 0.00 -2.77 -0.06 0.00 -1.01 0.00 0.00 37.83 33.99 2fsh s LYS 797 CO 0.00 -0.07 1.12 0.34 0.51 0.00 0.00 175.35 177.25 2fsh s ASP 798 N -1.26 7.21 0.15 2.83 -1.08 -1.26 -2.86 116.67 120.40 2fsh s ASP 798 Ca 0.53 1.99 -0.30 0.00 -0.52 0.00 0.00 52.55 54.25 2fsh s ASP 798 Cb -0.27 -2.59 -0.08 0.00 -1.46 0.00 0.00 42.92 38.52 2fsh s ASP 798 CO 0.34 -0.32 1.30 -2.16 0.52 0.00 0.00 175.17 174.85 2fsh s PRO 799 N 0.42 4.39 0.17 4.34 0.04 -1.25 -2.42 135.00 140.70 2fsh s PRO 799 Ca 0.53 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.57 2fsh s PRO 799 Cb -0.28 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.02 2fsh s PRO 799 CO 0.31 -0.29 0.00 1.17 0.04 0.00 0.00 177.00 178.24 2fsh n LYS 800 N 3.20 -1.80 0.00 4.56 4.81 -1.26 -4.55 118.16 123.12 2fsh n LYS 800 Ca 0.08 1.32 0.00 0.00 -0.87 0.00 0.00 58.31 58.84 2fsh n LYS 800 Cb 0.43 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 34.01 2fsh n LYS 800 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2fsh n GLN 801 N -0.60 0.00 0.03 1.64 1.13 -1.26 -4.64 117.38 113.68 2fsh n GLN 801 Ca 0.00 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.86 2fsh n GLN 801 Cb 0.00 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.25 2fsh n GLN 801 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 2fsh h GLU 802 N 0.00 0.71 -0.49 -1.09 4.57 -1.72 -0.71 114.58 115.86 2fsh h GLU 802 Ca 0.00 -0.73 0.02 0.00 -1.18 0.00 0.00 59.36 57.48 2fsh h GLU 802 Cb 0.00 0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 2fsh h GLU 802 CO 0.00 1.31 0.29 -0.92 -1.18 0.00 0.00 179.01 178.50 2fsh h TYR 803 N 0.41 0.54 -0.56 0.92 3.20 -1.85 0.06 116.97 119.68 2fsh h TYR 803 Ca -0.11 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.74 2fsh h TYR 803 Cb 1.62 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 39.69 2fsh h TYR 803 CO 0.10 0.30 0.22 0.87 -1.64 0.00 0.00 178.16 178.02 2fsh h LYS 804 N 0.57 0.81 0.40 1.82 1.57 -1.84 0.19 116.57 120.09 2fsh h LYS 804 Ca 0.20 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2fsh h LYS 804 Cb 0.03 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.20 2fsh h LYS 804 CO -0.10 0.67 -0.19 0.00 -0.57 0.00 0.00 179.45 179.26 2fsh h ARG 805 N 0.80 -0.52 -0.70 3.15 3.08 -0.57 -1.11 114.38 118.50 2fsh h ARG 805 Ca 0.19 0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.23 2fsh h ARG 805 Cb 0.16 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 2fsh h ARG 805 CO -0.02 -0.29 0.27 0.93 -1.07 0.00 0.00 179.97 179.78 2fsh h GLU 806 N -0.64 1.04 -0.34 0.04 5.08 -0.92 -1.75 114.58 117.10 2fsh h GLU 806 Ca -0.06 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 2fsh h GLU 806 Cb 0.47 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2fsh h GLU 806 CO 0.09 0.86 0.15 0.77 -1.00 0.00 0.00 179.01 179.88 2fsh h SER 807 N 1.02 0.46 -0.10 1.42 0.02 -0.60 -0.40 113.55 115.37 2fsh h SER 807 Ca 0.23 -0.15 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 2fsh h SER 807 Cb 0.22 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 2fsh h SER 807 CO -0.02 0.48 0.03 0.15 -1.14 0.00 0.00 176.83 176.33 2fsh h PHE 808 N 0.41 0.05 -0.35 3.45 3.57 -1.14 -0.44 116.94 122.49 2fsh h PHE 808 Ca 0.12 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.64 2fsh h PHE 808 Cb 0.15 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 2fsh h PHE 808 CO -0.01 0.02 0.20 0.77 -2.23 0.00 0.00 178.31 177.06 2fsh h SER 809 N 0.08 0.31 -0.64 0.41 0.02 -1.26 0.74 113.55 113.20 2fsh h SER 809 Ca 0.04 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 2fsh h SER 809 Cb 0.03 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 2fsh h SER 809 CO -0.05 0.23 0.14 -0.03 -1.14 0.00 0.00 176.83 175.97 2fsh h MET 810 N 0.40 1.03 -0.49 3.45 1.85 -0.98 -1.90 114.93 118.30 2fsh h MET 810 Ca 0.14 -0.26 -0.05 0.00 -0.61 0.00 0.00 59.70 58.93 2fsh h MET 810 Cb 0.02 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 31.90 2fsh h MET 810 CO -0.08 0.94 0.11 0.35 -0.40 0.00 0.00 176.91 177.84 2fsh h PHE 811 N 0.95 0.82 -0.47 1.39 3.57 -0.79 -2.21 116.94 120.20 2fsh h PHE 811 Ca 0.20 -0.10 0.06 0.00 3.53 0.00 0.00 57.97 61.65 2fsh h PHE 811 Cb 0.38 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.84 2fsh h PHE 811 CO 0.03 0.74 0.18 0.00 -2.23 0.00 0.00 178.31 177.04 2fsh h ALA 812 N 0.98 0.58 -0.38 2.41 0.00 -0.66 -1.96 119.26 120.22 2fsh h ALA 812 Ca 0.15 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 2fsh h ALA 812 Cb 0.34 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2fsh h ALA 812 CO 0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 179.25 178.97 2fsh h ALA 813 N 1.30 1.14 -0.05 0.00 0.00 -1.29 -2.59 119.26 117.77 2fsh h ALA 813 Ca 0.22 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 2fsh h ALA 813 Cb 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2fsh h ALA 813 CO -0.21 0.55 -0.51 1.98 0.00 0.00 0.00 179.25 181.06 2fsh h MET 814 N 0.60 0.12 0.01 0.00 -1.53 -0.72 0.20 114.93 113.61 2fsh h MET 814 Ca 0.11 -0.07 -0.19 0.00 -3.44 0.00 0.00 59.70 56.12 2fsh h MET 814 Cb 0.51 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.54 2fsh h MET 814 CO 0.03 0.60 -0.87 -0.07 0.14 0.00 0.00 176.91 176.74 2fsh h LEU 815 N 0.10 0.08 -0.30 3.39 3.38 -1.07 0.23 115.31 121.10 2fsh h LEU 815 Ca 0.00 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 2fsh h LEU 815 Cb 0.93 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2fsh h LEU 815 CO 0.07 0.90 -0.15 -0.33 0.09 0.00 0.00 178.44 179.03 2fsh h GLU 816 N 0.03 0.64 0.00 1.13 4.39 -1.08 -2.90 114.58 116.79 2fsh h GLU 816 Ca -0.02 -0.28 -0.07 0.00 0.34 0.00 0.00 59.36 59.33 2fsh h GLU 816 Cb 1.52 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.14 2fsh h GLU 816 CO 0.12 0.87 -0.34 1.03 -1.16 0.00 0.00 179.01 179.53 2fsh h SER 817 N 0.40 0.00 -0.74 1.42 0.87 -0.78 -1.39 113.55 113.33 2fsh h SER 817 Ca 0.07 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 2fsh h SER 817 Cb 0.68 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.60 2fsh h SER 817 CO 0.05 0.34 0.41 0.25 -0.53 0.00 0.00 176.83 177.34 2fsh h LEU 818 N 0.00 0.92 -0.01 2.23 5.85 -0.41 -0.97 115.31 122.92 2fsh h LEU 818 Ca -0.00 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 2fsh h LEU 818 Cb 0.69 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 2fsh h LEU 818 CO 0.04 0.75 -0.00 0.11 -0.34 0.00 0.00 178.44 179.00 2fsh h LYS 819 N 1.01 0.02 -0.52 1.25 1.57 -1.23 -1.80 116.57 116.88 2fsh h LYS 819 Ca 0.26 -0.01 0.10 0.00 -1.87 0.00 0.00 60.65 59.13 2fsh h LYS 819 Cb 0.03 -0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.25 2fsh h LYS 819 CO -0.04 0.40 -0.07 -0.92 -0.57 0.00 0.00 179.45 178.25 2fsh h TYR 820 N -0.36 -0.16 -0.05 -1.35 3.20 -1.06 -1.59 116.97 115.60 2fsh h TYR 820 Ca 0.00 0.04 -0.21 0.00 3.14 0.00 0.00 58.73 61.70 2fsh h TYR 820 Cb 0.39 0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.82 2fsh h TYR 820 CO 0.06 -0.18 -0.85 0.93 -1.64 0.00 0.00 178.16 176.48 2fsh h GLU 821 N 0.05 0.49 -0.22 1.82 4.39 -1.14 0.39 114.58 120.37 2fsh h GLU 821 Ca 0.26 -0.46 0.00 0.00 0.34 0.00 0.00 59.36 59.50 2fsh h GLU 821 Cb 0.40 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2fsh h GLU 821 CO -0.49 1.10 0.14 0.28 -1.16 0.00 0.00 179.01 178.88 2fsh h VAL 822 N 0.31 1.07 -0.11 3.13 2.07 -1.15 -1.35 116.25 120.22 2fsh h VAL 822 Ca -0.06 -0.14 -0.13 0.00 0.82 0.00 0.00 66.70 67.19 2fsh h VAL 822 Cb 1.46 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 2fsh h VAL 822 CO 0.15 0.06 -0.51 0.40 0.02 0.00 0.00 177.57 177.70 2fsh h ILE 823 N 0.28 1.35 -0.21 4.57 1.08 -1.10 -1.64 117.51 121.85 2fsh h ILE 823 Ca 0.08 -1.76 -0.00 0.00 -0.39 0.00 0.00 64.86 62.79 2fsh h ILE 823 Cb -0.01 1.83 -0.01 0.00 -3.07 0.00 0.00 36.82 35.56 2fsh h ILE 823 CO -0.02 0.53 0.13 -1.28 -0.69 0.00 0.00 178.15 176.82 2fsh h SER 824 N 0.22 0.25 0.04 1.72 0.87 -0.78 -0.74 113.55 115.13 2fsh h SER 824 Ca 0.01 -0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2fsh h SER 824 Cb 0.98 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 2fsh h SER 824 CO 0.08 0.22 -0.02 0.74 -0.53 0.00 0.00 176.83 177.32 2fsh h THR 825 N 0.26 1.05 -0.35 2.23 2.02 -0.96 -0.92 112.91 116.24 2fsh h THR 825 Ca 0.07 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 2fsh h THR 825 Cb 0.01 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 2fsh h THR 825 CO -0.01 0.07 0.04 -0.07 0.37 0.00 0.00 175.52 175.92 2fsh h LEU 826 N -0.17 0.48 -0.86 2.58 3.38 -1.29 -0.91 115.31 118.54 2fsh h LEU 826 Ca -0.00 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 2fsh h LEU 826 Cb 0.15 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2fsh h LEU 826 CO 0.01 0.53 -0.24 0.28 0.09 0.00 0.00 178.44 179.10 2fsh h SER 827 N 0.51 0.58 0.18 -0.43 0.02 -0.88 -3.29 113.55 110.23 2fsh h SER 827 Ca 0.11 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2fsh h SER 827 Cb 0.27 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2fsh h SER 827 CO 0.00 0.81 -0.69 0.29 -1.14 0.00 0.00 176.83 176.10 2fsh n LYS 828 N -4.12 0.26 -1.67 3.45 5.02 -0.37 -4.57 118.16 116.16 2fsh n LYS 828 Ca -0.00 -0.19 -0.46 0.00 -2.02 0.00 0.00 58.31 55.64 2fsh n LYS 828 Cb 0.41 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.89 2fsh n LYS 828 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2fsh n VAL 829 N -1.21 0.64 -2.35 -0.18 3.14 -0.56 -4.86 118.33 112.95 2fsh n VAL 829 Ca 0.06 -0.13 -0.43 0.00 -2.96 0.00 0.00 64.34 60.88 2fsh n VAL 829 Cb 0.35 -2.05 -0.02 0.00 -1.06 0.00 0.00 33.84 31.06 2fsh n VAL 829 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 2fsh s GLN 830 N 4.34 4.11 -0.10 1.45 -1.52 -1.26 -5.00 119.66 121.68 2fsh s GLN 830 Ca 0.92 1.62 0.02 0.00 -1.95 0.00 0.00 55.36 55.97 2fsh s GLN 830 Cb -0.60 -3.84 -0.01 0.00 -0.22 0.00 0.00 33.01 28.34 2fsh s GLN 830 CO 0.48 -0.87 -0.16 0.08 -0.25 0.00 0.00 175.29 174.57 2fsh s VAL 831 N 3.92 2.83 -0.34 1.09 1.01 -1.26 -5.11 120.40 122.54 2fsh s VAL 831 Ca 0.58 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 61.51 2fsh s VAL 831 Cb -0.22 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 34.03 2fsh s VAL 831 CO 0.19 0.55 1.09 0.00 0.00 0.00 0.00 175.10 176.93 2fsh s ARG 832 N 0.06 4.02 -0.33 2.72 1.70 -1.26 -5.03 118.95 120.84 2fsh s ARG 832 Ca -0.06 1.03 -0.16 0.00 -0.47 0.00 0.00 55.73 56.06 2fsh s ARG 832 Cb -0.15 -3.76 -0.01 0.00 -0.57 0.00 0.00 34.95 30.46 2fsh s ARG 832 CO 0.05 -0.96 0.43 -1.64 -1.08 0.00 0.00 175.30 172.09 2fsh s MET 833 N 3.76 3.68 0.89 3.89 -1.94 -1.26 -5.09 119.30 123.23 2fsh s MET 833 Ca 0.46 -0.21 -0.13 0.00 -1.71 0.00 0.00 55.69 54.10 2fsh s MET 833 Cb -0.12 -3.78 0.13 0.00 2.01 0.00 0.00 34.83 33.08 2fsh s MET 833 CO 0.17 -0.52 1.19 -2.14 -0.01 0.00 0.00 175.02 173.71 2fsh s PRO 834 N 2.18 1.31 0.00 2.03 0.02 -1.26 -5.08 135.00 134.20 2fsh s PRO 834 Ca 0.15 0.05 0.00 0.00 0.02 0.00 0.00 61.00 61.22 2fsh s PRO 834 Cb -0.16 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.48 2fsh s PRO 834 CO 0.12 -2.04 0.00 -1.91 -0.33 0.00 0.00 177.00 172.84 2fsh n GLU 835 N -3.61 0.00 -0.32 5.54 2.13 -1.26 -5.14 120.64 117.98 2fsh n GLU 835 Ca 0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.91 2fsh n GLU 835 Cb 0.60 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.31 2fsh n GLU 835 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11