#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fy5 n GLY 12 N 0.00 -1.10 3.81 0.46 0.00 -1.26 -4.88 105.19 102.22 2fy5 n GLY 12 Ca 0.00 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 2fy5 n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fy5 s LEU 13 N -2.36 3.96 0.62 0.99 1.43 -1.26 -5.04 118.68 117.01 2fy5 s LEU 13 Ca 0.35 1.79 -0.17 0.00 -1.03 0.00 0.00 54.13 55.08 2fy5 s LEU 13 Cb 0.21 -4.48 -0.02 0.00 0.03 0.00 0.00 46.19 41.92 2fy5 s LEU 13 CO 0.43 -0.47 1.12 -2.84 0.23 0.00 0.00 176.35 174.82 2fy5 s PRO 14 N -3.06 3.00 0.23 1.29 0.02 -1.26 -4.63 135.00 130.58 2fy5 s PRO 14 Ca 0.62 1.47 -0.22 0.00 0.02 0.00 0.00 61.00 62.89 2fy5 s PRO 14 Cb -0.13 -1.97 -0.08 0.00 0.02 0.00 0.00 34.50 32.34 2fy5 s PRO 14 CO 0.17 -1.11 0.78 0.15 -0.33 0.00 0.00 177.00 176.66 2fy5 s LYS 15 N -3.80 4.40 -0.10 5.54 1.02 -1.26 -1.93 119.74 123.61 2fy5 s LYS 15 Ca 0.69 1.04 -0.38 0.00 0.02 0.00 0.00 55.97 57.34 2fy5 s LYS 15 Cb -0.22 -2.97 -0.16 0.00 -0.52 0.00 0.00 37.83 33.97 2fy5 s LYS 15 CO 0.36 0.42 1.60 -0.11 -0.92 0.00 0.00 175.35 176.70 2fy5 n LEU 16 N 0.93 2.23 -4.72 3.17 7.94 -1.26 -4.89 117.00 120.40 2fy5 n LEU 16 Ca -0.02 1.08 -0.33 0.00 -1.11 0.00 0.00 56.01 55.63 2fy5 n LEU 16 Cb 0.50 -1.19 0.11 0.00 0.53 0.00 0.00 43.42 43.36 2fy5 n LEU 16 CO 0.44 -0.62 0.77 -2.16 -1.11 0.00 0.00 177.39 174.70 2fy5 s PRO 17 N 2.30 1.95 -0.38 1.96 0.04 -1.26 -4.89 135.00 134.72 2fy5 s PRO 17 Ca 0.92 1.66 -0.06 0.00 0.04 0.00 0.00 61.00 63.56 2fy5 s PRO 17 Cb -0.98 -1.82 0.07 0.00 0.04 0.00 0.00 34.50 31.81 2fy5 s PRO 17 CO 0.56 -1.96 0.18 0.08 0.04 0.00 0.00 177.00 175.91 2fy5 s VAL 18 N -2.19 3.79 0.58 -0.36 1.01 -1.26 -4.94 120.40 117.03 2fy5 s VAL 18 Ca 0.72 -1.46 -0.20 0.00 0.00 0.00 0.00 61.98 61.03 2fy5 s VAL 18 Cb -0.27 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 2fy5 s VAL 18 CO 0.48 -0.42 1.22 -0.81 0.00 0.00 0.00 175.10 175.57 2fy5 n PRO 19 N 4.79 1.31 -2.07 2.72 -0.04 -1.26 -4.92 135.00 135.54 2fy5 n PRO 19 Ca -0.09 0.49 -0.41 0.00 -0.04 0.00 0.00 63.50 63.45 2fy5 n PRO 19 Cb 0.43 -2.42 -0.02 0.00 -0.04 0.00 0.00 33.50 31.45 2fy5 n PRO 19 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 2fy5 s PRO 20 N -2.92 4.28 0.15 0.54 0.02 -1.26 -4.93 135.00 130.89 2fy5 s PRO 20 Ca 0.75 2.25 -0.25 0.00 0.02 0.00 0.00 61.00 63.77 2fy5 s PRO 20 Cb -0.42 -3.02 0.02 0.00 0.02 0.00 0.00 34.50 31.11 2fy5 s PRO 20 CO 0.47 -0.27 1.59 1.25 -0.33 0.00 0.00 177.00 179.71 2fy5 h LEU 21 N 3.24 -1.16 -2.01 -5.54 5.85 -1.99 -2.19 115.31 111.51 2fy5 h LEU 21 Ca -0.49 0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 2fy5 h LEU 21 Cb 1.23 0.52 -0.00 0.00 0.37 0.00 0.00 40.66 42.78 2fy5 h LEU 21 CO 0.65 -0.35 -0.09 1.56 -0.34 0.00 0.00 178.44 179.87 2fy5 h GLN 22 N -0.31 0.00 -0.18 1.25 1.08 -1.95 -1.77 115.11 113.23 2fy5 h GLN 22 Ca 0.14 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.31 2fy5 h GLN 22 Cb 0.56 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.98 2fy5 h GLN 22 CO -0.50 0.09 -0.02 0.37 -0.95 0.00 0.00 178.83 177.82 2fy5 h GLN 23 N 0.00 0.34 -0.37 1.46 4.15 -1.78 -1.99 115.11 116.92 2fy5 h GLN 23 Ca -0.00 -0.12 -0.06 0.00 0.77 0.00 0.00 58.65 59.25 2fy5 h GLN 23 Cb 0.22 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 2fy5 h GLN 23 CO 0.01 0.57 0.01 1.15 -1.93 0.00 0.00 178.83 178.64 2fy5 h THR 24 N 0.07 1.26 -0.73 2.39 2.02 -1.18 -1.17 112.91 115.56 2fy5 h THR 24 Ca 0.05 -0.97 -0.05 0.00 0.77 0.00 0.00 66.41 66.21 2fy5 h THR 24 Cb 0.43 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 2fy5 h THR 24 CO 0.01 0.32 0.26 -0.07 0.37 0.00 0.00 175.52 176.42 2fy5 h LEU 25 N 0.46 1.03 -0.13 2.58 3.38 -1.35 0.45 115.31 121.73 2fy5 h LEU 25 Ca 0.11 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2fy5 h LEU 25 Cb 0.45 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2fy5 h LEU 25 CO 0.02 0.93 -0.03 0.00 0.09 0.00 0.00 178.44 179.45 2fy5 h ALA 26 N 1.21 0.18 -0.75 1.53 0.00 -1.28 -2.56 119.26 117.59 2fy5 h ALA 26 Ca 0.24 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2fy5 h ALA 26 Cb 0.25 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2fy5 h ALA 26 CO -0.01 -0.08 0.49 1.15 0.00 0.00 0.00 179.25 180.80 2fy5 h THR 27 N -0.06 1.17 0.16 0.00 2.02 -0.92 -1.03 112.91 114.25 2fy5 h THR 27 Ca 0.03 -0.34 0.01 0.00 0.77 0.00 0.00 66.41 66.89 2fy5 h THR 27 Cb 0.45 0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 66.91 2fy5 h THR 27 CO 0.01 0.18 -0.47 0.22 0.37 0.00 0.00 175.52 175.83 2fy5 h TYR 28 N 0.99 -1.33 -0.97 3.16 3.20 -0.02 0.39 116.97 122.39 2fy5 h TYR 28 Ca 0.28 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.20 2fy5 h TYR 28 Cb -0.08 0.56 -0.05 0.00 1.54 0.00 0.00 36.73 38.70 2fy5 h TYR 28 CO -0.02 -0.57 0.64 -0.07 -1.64 0.00 0.00 178.16 176.50 2fy5 h LEU 29 N -0.73 1.10 -0.80 2.82 3.38 -1.25 -2.16 115.31 117.67 2fy5 h LEU 29 Ca 0.00 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2fy5 h LEU 29 Cb 0.73 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 2fy5 h LEU 29 CO -0.24 0.79 0.37 -0.61 0.09 0.00 0.00 178.44 178.83 2fy5 h GLN 30 N 1.29 1.17 -0.42 1.13 5.75 -0.79 -0.94 115.11 122.30 2fy5 h GLN 30 Ca 0.36 -0.18 -0.04 0.00 -0.15 0.00 0.00 58.65 58.64 2fy5 h GLN 30 Cb -0.11 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.21 2fy5 h GLN 30 CO -0.09 0.92 0.10 0.00 -2.65 0.00 0.00 178.83 177.11 2fy5 n MET 32 N -4.32 0.65 -0.37 0.00 2.81 -1.04 -4.58 117.12 110.27 2fy5 n MET 32 Ca 0.03 -0.13 0.02 0.00 -1.81 0.00 0.00 57.70 55.81 2fy5 n MET 32 Cb 0.20 -1.59 0.09 0.00 -0.71 0.00 0.00 33.22 31.20 2fy5 n MET 32 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 2fy5 n ARG 33 N -2.36 -0.16 -0.01 0.03 0.63 -0.38 0.63 116.66 115.03 2fy5 n ARG 33 Ca -0.03 1.53 0.07 0.00 -0.92 0.00 0.00 57.85 58.50 2fy5 n ARG 33 Cb 0.57 -2.28 0.39 0.00 0.45 0.00 0.00 32.46 31.59 2fy5 n ARG 33 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 2fy5 n HIS 34 N -5.53 0.02 -0.01 -0.14 1.44 -1.26 -3.39 115.22 106.35 2fy5 n HIS 34 Ca 0.13 -0.01 0.04 0.00 -2.01 0.00 0.00 57.72 55.87 2fy5 n HIS 34 Cb 0.44 0.00 0.09 0.00 0.12 0.00 0.00 29.99 30.64 2fy5 n HIS 34 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2fy5 n LEU 35 N -0.63 2.38 -3.95 2.39 4.77 0.20 -5.00 117.00 117.17 2fy5 n LEU 35 Ca 0.10 -1.74 -0.08 0.00 -0.03 0.00 0.00 56.01 54.26 2fy5 n LEU 35 Cb 0.07 -0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 40.95 2fy5 n LEU 35 CO 0.08 0.58 -0.20 0.68 -1.33 0.00 0.00 177.39 177.19 2fy5 s VAL 36 N -0.91 0.17 0.97 4.08 -7.23 -1.14 -5.04 120.40 111.30 2fy5 s VAL 36 Ca 0.14 -1.42 -0.11 0.00 -1.81 0.00 0.00 61.98 58.78 2fy5 s VAL 36 Cb 0.08 -1.40 0.18 0.00 0.56 0.00 0.00 36.38 35.80 2fy5 s VAL 36 CO 0.11 -0.79 1.12 -0.94 -0.31 0.00 0.00 175.10 174.29 2fy5 s SER 37 N -2.86 2.46 0.13 4.85 1.04 -1.26 -4.77 113.70 113.29 2fy5 s SER 37 Ca 0.05 2.03 -0.18 0.00 0.48 0.00 0.00 55.95 58.33 2fy5 s SER 37 Cb 0.06 -2.51 -0.02 0.00 0.10 0.00 0.00 66.02 63.65 2fy5 s SER 37 CO -0.10 -3.37 1.77 -0.33 0.98 0.00 0.00 173.24 172.19 2fy5 h GLU 38 N -2.05 0.43 0.39 4.02 5.08 -1.99 -1.22 114.58 119.24 2fy5 h GLU 38 Ca -0.48 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 57.84 2fy5 h GLU 38 Cb 1.28 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 2fy5 h GLU 38 CO 0.44 0.32 -0.40 1.49 -1.00 0.00 0.00 179.01 179.87 2fy5 h GLU 39 N 0.42 -0.78 -0.76 2.33 4.81 -2.00 -1.45 114.58 117.15 2fy5 h GLU 39 Ca 0.12 0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.50 2fy5 h GLU 39 Cb 0.00 0.18 -0.08 0.00 0.63 0.00 0.00 28.75 29.48 2fy5 h GLU 39 CO -0.02 -0.52 0.39 0.37 -0.73 0.00 0.00 179.01 178.50 2fy5 h GLN 40 N -0.81 0.62 -0.97 1.92 4.15 -1.91 -1.16 115.11 116.96 2fy5 h GLN 40 Ca -0.03 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.39 2fy5 h GLN 40 Cb 0.72 -0.14 -0.06 0.00 0.21 0.00 0.00 27.48 28.22 2fy5 h GLN 40 CO -0.07 0.41 0.63 0.35 -1.93 0.00 0.00 178.83 178.22 2fy5 h PHE 41 N 0.64 1.18 -0.41 3.99 3.57 -0.80 -1.72 116.94 123.39 2fy5 h PHE 41 Ca 0.38 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.91 2fy5 h PHE 41 Cb 0.42 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 2fy5 h PHE 41 CO -0.10 0.68 0.26 0.00 -2.23 0.00 0.00 178.31 176.92 2fy5 h ARG 42 N 1.22 0.56 -0.42 1.11 3.08 -0.15 -0.75 114.38 119.02 2fy5 h ARG 42 Ca 0.39 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.38 2fy5 h ARG 42 Cb 0.01 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 2fy5 h ARG 42 CO -0.13 0.40 0.19 0.87 -1.07 0.00 0.00 179.97 180.23 2fy5 h LYS 43 N 0.55 0.59 -0.18 0.04 1.57 -0.92 -2.32 116.57 115.90 2fy5 h LYS 43 Ca 0.15 -0.07 -0.19 0.00 -1.87 0.00 0.00 60.65 58.67 2fy5 h LYS 43 Cb -0.02 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.18 2fy5 h LYS 43 CO -0.03 0.47 -0.63 0.77 -0.57 0.00 0.00 179.45 179.46 2fy5 h SER 44 N 0.59 0.87 -0.33 0.86 0.02 -0.68 -0.97 113.55 113.90 2fy5 h SER 44 Ca 0.15 -0.60 0.06 0.00 -0.84 0.00 0.00 61.79 60.56 2fy5 h SER 44 Cb 0.09 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.32 2fy5 h SER 44 CO -0.02 1.32 0.00 1.56 -1.14 0.00 0.00 176.83 178.56 2fy5 h GLN 45 N 0.47 0.10 -0.45 3.45 4.20 -0.85 0.52 115.11 122.56 2fy5 h GLN 45 Ca -0.03 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2fy5 h GLN 45 Cb 1.25 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.99 2fy5 h GLN 45 CO 0.13 0.06 0.30 0.00 -0.67 0.00 0.00 178.83 178.65 2fy5 h ALA 46 N 1.29 0.57 -0.54 3.87 0.00 -1.37 0.28 119.26 123.35 2fy5 h ALA 46 Ca 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2fy5 h ALA 46 Cb 0.22 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2fy5 h ALA 46 CO -0.27 0.02 0.32 0.82 0.00 0.00 0.00 179.25 180.14 2fy5 h ILE 47 N 0.61 1.17 -0.40 0.00 2.04 -0.12 -1.85 117.51 118.96 2fy5 h ILE 47 Ca 0.16 -0.40 -0.05 0.00 1.00 0.00 0.00 64.86 65.58 2fy5 h ILE 47 Cb -0.07 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 2fy5 h ILE 47 CO -0.04 0.18 0.06 0.58 0.00 0.00 0.00 178.15 178.93 2fy5 h VAL 48 N 0.73 1.24 -0.40 1.67 2.07 0.37 -2.10 116.25 119.83 2fy5 h VAL 48 Ca 0.19 -0.87 0.08 0.00 0.82 0.00 0.00 66.70 66.92 2fy5 h VAL 48 Cb 0.01 1.05 -0.08 0.00 -1.52 0.00 0.00 31.29 30.74 2fy5 h VAL 48 CO -0.03 0.30 -0.11 -0.61 0.02 0.00 0.00 177.57 177.14 2fy5 h GLN 49 N 0.51 -0.01 -0.07 1.57 -0.00 -0.15 0.33 115.11 117.29 2fy5 h GLN 49 Ca 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.76 2fy5 h GLN 49 Cb 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.85 2fy5 h GLN 49 CO 0.01 -0.01 -0.00 0.37 0.00 0.00 0.00 178.83 179.20 2fy5 h GLN 50 N -0.01 0.12 -0.50 1.69 4.15 -1.24 0.05 115.11 119.37 2fy5 h GLN 50 Ca 0.19 -0.04 0.08 0.00 0.77 0.00 0.00 58.65 59.65 2fy5 h GLN 50 Cb 0.31 -0.01 -0.07 0.00 0.21 0.00 0.00 27.48 27.92 2fy5 h GLN 50 CO -0.42 0.40 0.12 0.35 -1.93 0.00 0.00 178.83 177.35 2fy5 h PHE 51 N -0.17 0.21 -0.15 3.99 3.57 -1.01 -2.38 116.94 121.00 2fy5 h PHE 51 Ca 0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2fy5 h PHE 51 Cb 0.34 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.06 2fy5 h PHE 51 CO 0.03 0.03 0.00 0.41 -2.23 0.00 0.00 178.31 176.55 2fy5 n GLY 52 N -1.28 0.04 3.76 2.40 0.00 0.11 -0.72 105.19 109.51 2fy5 n GLY 52 Ca 0.05 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 2fy5 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fy5 s ALA 53 N -1.81 2.43 0.22 4.61 0.00 -0.01 -4.87 121.76 122.33 2fy5 s ALA 53 Ca 0.30 0.65 -0.32 0.00 0.00 0.00 0.00 51.96 52.60 2fy5 s ALA 53 Cb 0.16 -3.35 -0.14 0.00 0.00 0.00 0.00 23.12 19.79 2fy5 s ALA 53 CO 0.24 -1.33 1.42 -2.30 0.00 0.00 0.00 175.76 173.79 2fy5 n PRO 54 N -2.32 1.99 -0.96 0.00 -0.02 -1.26 -0.69 135.00 131.73 2fy5 n PRO 54 Ca 0.11 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 2fy5 n PRO 54 Cb 0.51 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2fy5 n PRO 54 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fy5 n GLY 55 N 2.33 0.27 0.19 -1.23 0.00 -1.26 -4.98 105.19 100.51 2fy5 n GLY 55 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 2fy5 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fy5 n GLY 56 N -1.04 -0.92 0.27 -0.02 0.00 0.13 -4.93 105.19 98.68 2fy5 n GLY 56 Ca 0.00 -1.71 -0.08 0.00 0.00 0.00 0.00 46.02 44.24 2fy5 n GLY 56 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2fy5 h LEU 57 N 0.00 0.82 0.33 0.99 5.85 -1.81 -3.11 115.31 118.37 2fy5 h LEU 57 Ca -0.02 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.42 2fy5 h LEU 57 Cb 0.06 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 2fy5 h LEU 57 CO 0.02 0.99 -0.27 1.23 -0.34 0.00 0.00 178.44 180.06 2fy5 h GLY 58 N 0.96 -0.65 1.24 3.75 0.00 -1.23 -2.23 103.07 104.92 2fy5 h GLY 58 Ca 0.11 0.31 0.09 0.00 0.00 0.00 0.00 47.33 47.83 2fy5 h GLY 58 CO 0.05 -0.25 0.31 0.83 0.00 0.00 0.00 176.54 177.48 2fy5 h GLU 59 N -0.61 0.24 -0.36 4.80 5.08 -1.76 -0.40 114.58 121.57 2fy5 h GLU 59 Ca -0.02 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 2fy5 h GLU 59 Cb 0.54 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2fy5 h GLU 59 CO -0.02 0.16 -0.02 1.15 -1.00 0.00 0.00 179.01 179.28 2fy5 h THR 60 N 0.25 1.26 -0.41 1.13 2.02 -1.39 -1.91 112.91 113.86 2fy5 h THR 60 Ca 0.21 -1.02 -0.13 0.00 0.77 0.00 0.00 66.41 66.23 2fy5 h THR 60 Cb 0.50 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 2fy5 h THR 60 CO -0.04 0.34 -0.26 -0.07 0.37 0.00 0.00 175.52 175.86 2fy5 h LEU 61 N 0.46 0.90 -1.08 2.58 3.38 -0.71 -2.51 115.31 118.32 2fy5 h LEU 61 Ca 0.10 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.72 2fy5 h LEU 61 Cb 0.49 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 2fy5 h LEU 61 CO 0.02 1.11 0.59 -0.61 0.09 0.00 0.00 178.44 179.64 2fy5 h GLN 62 N 0.75 1.21 -0.70 1.13 5.75 -1.00 0.11 115.11 122.35 2fy5 h GLN 62 Ca 0.09 -0.08 -0.07 0.00 -0.15 0.00 0.00 58.65 58.44 2fy5 h GLN 62 Cb 0.81 -0.27 -0.03 0.00 1.07 0.00 0.00 27.48 29.07 2fy5 h GLN 62 CO 0.07 0.81 0.16 0.37 -2.65 0.00 0.00 178.83 177.59 2fy5 h GLN 63 N 1.24 1.13 -0.65 1.69 5.75 -1.13 0.17 115.11 123.31 2fy5 h GLN 63 Ca 0.33 -0.28 -0.07 0.00 -0.15 0.00 0.00 58.65 58.49 2fy5 h GLN 63 Cb -0.12 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.26 2fy5 h GLN 63 CO -0.07 1.00 0.15 0.87 -2.65 0.00 0.00 178.83 178.13 2fy5 h LYS 64 N 1.07 1.04 -0.54 1.69 1.79 -0.83 -2.18 116.57 118.61 2fy5 h LYS 64 Ca 0.22 -0.24 -0.06 0.00 -2.18 0.00 0.00 60.65 58.39 2fy5 h LYS 64 Cb 0.39 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.88 2fy5 h LYS 64 CO 0.00 0.93 0.12 1.25 -1.08 0.00 0.00 179.45 180.67 2fy5 h LEU 65 N 0.99 0.83 -1.31 2.94 5.85 -0.17 0.54 115.31 124.98 2fy5 h LEU 65 Ca 0.21 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 2fy5 h LEU 65 Cb 0.37 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2fy5 h LEU 65 CO 0.00 0.85 0.06 -0.07 -0.34 0.00 0.00 178.44 178.94 2fy5 h LEU 66 N 0.76 0.48 -0.08 2.25 3.38 -0.72 0.23 115.31 121.61 2fy5 h LEU 66 Ca 0.17 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2fy5 h LEU 66 Cb 0.36 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2fy5 h LEU 66 CO 0.00 0.51 -0.05 -0.33 0.09 0.00 0.00 178.44 178.66 2fy5 h GLU 67 N 0.51 0.18 -1.01 1.13 5.08 -0.88 -2.55 114.58 117.04 2fy5 h GLU 67 Ca 0.12 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 2fy5 h GLU 67 Cb 0.24 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 2fy5 h GLU 67 CO 0.00 0.57 0.66 -0.09 -1.00 0.00 0.00 179.01 179.16 2fy5 h ARG 68 N -0.22 1.26 -0.66 2.33 2.43 -0.52 -1.55 114.38 117.46 2fy5 h ARG 68 Ca 0.02 -0.08 0.06 0.00 -0.81 0.00 0.00 59.98 59.17 2fy5 h ARG 68 Cb 0.53 -0.28 -0.06 0.00 -0.42 0.00 0.00 29.97 29.74 2fy5 h ARG 68 CO 0.01 0.83 0.35 0.37 -1.51 0.00 0.00 179.97 180.03 2fy5 h GLN 69 N 1.30 0.62 -0.03 0.20 4.15 -0.40 -0.63 115.11 120.33 2fy5 h GLN 69 Ca 0.39 -0.04 -0.12 0.00 0.77 0.00 0.00 58.65 59.65 2fy5 h GLN 69 Cb -0.03 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.50 2fy5 h GLN 69 CO -0.12 0.41 -0.56 1.49 -1.93 0.00 0.00 178.83 178.12 2fy5 h GLU 70 N 0.64 0.09 0.00 1.69 4.81 -0.96 -3.16 114.58 117.69 2fy5 h GLU 70 Ca 0.30 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 2fy5 h GLU 70 Cb 0.22 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2fy5 h GLU 70 CO -0.20 0.62 -0.40 0.87 -0.73 0.00 0.00 179.01 179.17 2fy5 h LYS 71 N 0.07 0.00 -5.64 1.92 1.57 -0.73 -3.47 116.57 110.29 2fy5 h LYS 71 Ca -0.00 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.15 2fy5 h LYS 71 Cb 1.01 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.19 2fy5 h LYS 71 CO 0.08 0.00 -0.60 0.95 -0.57 0.00 0.00 179.45 179.31 2fy5 s THR 72 N -3.15 1.96 -0.03 -0.16 -4.23 -0.30 -5.05 115.64 104.68 2fy5 s THR 72 Ca 0.08 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.38 2fy5 s THR 72 Cb 0.13 -2.97 -0.31 0.00 1.34 0.00 0.00 72.50 70.69 2fy5 s THR 72 CO 0.68 0.00 0.93 0.00 -0.54 0.00 0.00 174.62 175.69 2fy5 h ALA 73 N 1.76 -0.08 -2.93 3.99 0.00 -1.88 -3.44 119.26 116.69 2fy5 h ALA 73 Ca -0.44 -0.70 -0.47 0.00 0.00 0.00 0.00 54.91 53.30 2fy5 h ALA 73 Cb 1.24 0.10 -0.40 0.00 0.00 0.00 0.00 17.79 18.73 2fy5 h ALA 73 CO 0.81 0.41 -0.75 1.21 0.00 0.00 0.00 179.25 180.92 2fy5 s ASN 74 N -7.01 2.63 0.00 0.00 3.84 -1.26 -4.51 114.94 108.63 2fy5 s ASN 74 Ca -0.13 -0.79 0.01 0.00 0.21 0.00 0.00 52.86 52.15 2fy5 s ASN 74 Cb 0.01 -0.23 0.04 0.00 -0.55 0.00 0.00 41.25 40.52 2fy5 s ASN 74 CO 0.84 -0.38 0.71 -2.67 -2.79 0.00 0.00 177.10 172.81 2fy5 n TRP 75 N 5.27 0.00 -0.04 0.43 4.27 -1.26 -2.64 117.44 123.48 2fy5 n TRP 75 Ca -0.07 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.54 2fy5 n TRP 75 Cb 0.47 -0.18 0.00 0.00 -1.36 0.00 0.00 31.31 30.24 2fy5 n TRP 75 CO 0.00 0.00 0.00 1.55 -2.29 0.00 0.00 177.69 176.95 2fy5 n VAL 76 N -1.18 0.00 -0.25 -1.67 3.14 -1.26 -4.79 118.33 112.32 2fy5 n VAL 76 Ca 0.00 -0.42 -0.04 0.00 -2.96 0.00 0.00 64.34 60.92 2fy5 n VAL 76 Cb 0.00 1.04 0.01 0.00 -1.06 0.00 0.00 33.84 33.84 2fy5 n VAL 76 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 2fy5 h SER 77 N 0.00 -1.23 0.72 6.55 0.02 -1.88 0.54 113.55 118.27 2fy5 h SER 77 Ca 0.00 0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 61.16 2fy5 h SER 77 Cb 0.02 0.62 0.01 0.00 0.14 0.00 0.00 62.40 63.19 2fy5 h SER 77 CO 0.00 -0.30 -0.34 -0.08 -1.14 0.00 0.00 176.83 174.97 2fy5 h GLU 78 N -0.12 -0.93 -0.33 3.45 4.81 -1.87 0.33 114.58 119.92 2fy5 h GLU 78 Ca 0.26 0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.62 2fy5 h GLU 78 Cb 0.56 0.21 -0.06 0.00 0.63 0.00 0.00 28.75 30.09 2fy5 h GLU 78 CO -0.76 -0.60 -0.05 1.88 -0.73 0.00 0.00 179.01 178.75 2fy5 h TYR 79 N -1.02 -0.12 0.12 0.92 0.99 -1.72 -1.96 116.97 114.18 2fy5 h TYR 79 Ca -0.10 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.65 2fy5 h TYR 79 Cb 0.75 0.10 0.00 0.00 1.00 0.00 0.00 36.73 38.59 2fy5 h TYR 79 CO -0.01 -0.12 -0.06 2.35 -0.00 0.00 0.00 178.16 180.32 2fy5 h TRP 80 N 0.03 -0.15 -1.01 4.88 7.01 0.09 -0.15 115.95 126.67 2fy5 h TRP 80 Ca 0.16 -0.00 0.13 0.00 2.11 0.00 0.00 58.89 61.28 2fy5 h TRP 80 Cb 0.24 0.05 -0.09 0.00 -2.10 0.00 0.00 29.16 27.26 2fy5 h TRP 80 CO -0.28 0.08 0.63 1.25 -2.79 0.00 0.00 178.44 177.33 2fy5 h LEU 81 N -0.36 0.92 0.01 0.65 5.85 -0.80 0.17 115.31 121.75 2fy5 h LEU 81 Ca -0.02 0.05 -0.23 0.00 0.84 0.00 0.00 57.88 58.53 2fy5 h LEU 81 Cb 0.30 -0.13 0.02 0.00 0.37 0.00 0.00 40.66 41.21 2fy5 h LEU 81 CO 0.03 0.48 -0.88 0.78 -0.34 0.00 0.00 178.44 178.50 2fy5 h ASN 82 N 0.98 0.76 -0.48 1.25 2.35 -1.26 -1.24 115.58 117.94 2fy5 h ASN 82 Ca 0.50 -0.75 -0.11 0.00 -0.55 0.00 0.00 56.30 55.39 2fy5 h ASN 82 Cb 0.52 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 2fy5 h ASN 82 CO -0.27 1.42 -0.14 -0.78 -1.65 0.00 0.00 177.43 176.01 2fy5 h ASP 83 N 0.19 0.95 0.12 5.81 3.58 -0.47 0.14 116.42 126.73 2fy5 h ASP 83 Ca -0.11 -0.37 -0.20 0.00 0.42 0.00 0.00 57.03 56.77 2fy5 h ASP 83 Cb 1.56 -0.26 0.02 0.00 1.72 0.00 0.00 39.33 42.38 2fy5 h ASP 83 CO 0.17 1.10 -0.84 -0.03 -2.88 0.00 0.00 179.24 176.77 2fy5 h MET 84 N 0.78 0.36 0.00 0.28 4.05 -0.82 -3.44 114.93 116.14 2fy5 h MET 84 Ca 0.12 -0.54 0.00 0.00 -0.28 0.00 0.00 59.70 58.99 2fy5 h MET 84 Cb 0.70 0.19 0.00 0.00 -0.80 0.00 0.00 31.60 31.69 2fy5 h MET 84 CO 0.05 1.23 -0.31 0.66 0.23 0.00 0.00 176.91 178.77 2fy5 n TYR 85 N -4.10 -0.51 0.12 1.39 4.02 -0.97 -4.73 117.16 112.38 2fy5 n TYR 85 Ca -0.13 0.09 0.09 0.00 -0.01 0.00 0.00 57.90 57.94 2fy5 n TYR 85 Cb 0.82 0.25 0.58 0.00 -0.02 0.00 0.00 39.34 40.97 2fy5 n TYR 85 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 2fy5 h LEU 86 N 0.00 0.15 0.00 7.72 3.38 -1.25 -2.54 115.31 122.77 2fy5 h LEU 86 Ca 0.00 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 2fy5 h LEU 86 Cb 0.31 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2fy5 h LEU 86 CO 0.00 0.10 -0.89 0.78 0.09 0.00 0.00 178.44 178.53 2fy5 h ASN 87 N 0.18 0.00 -2.32 -0.43 2.35 -0.97 -1.50 115.58 112.88 2fy5 h ASN 87 Ca 0.11 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 55.26 2fy5 h ASN 87 Cb 0.21 0.00 0.07 0.00 0.05 0.00 0.00 38.32 38.65 2fy5 h ASN 87 CO -0.02 0.74 0.69 -3.20 -1.65 0.00 0.00 177.43 173.99 2fy5 n ASN 88 N -3.22 2.80 0.01 5.81 2.85 -0.96 -4.84 115.26 117.71 2fy5 n ASN 88 Ca -0.01 1.11 0.11 0.00 -0.11 0.00 0.00 54.58 55.67 2fy5 n ASN 88 Cb 0.85 -1.40 -0.03 0.00 1.24 0.00 0.00 39.78 40.44 2fy5 n ASN 88 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2fy5 n ARG 89 N 2.87 0.22 -1.17 1.20 5.12 -1.26 -4.82 116.66 118.82 2fy5 n ARG 89 Ca 0.15 -0.03 -0.33 0.00 -1.93 0.00 0.00 57.85 55.72 2fy5 n ARG 89 Cb 0.28 -1.55 0.12 0.00 -1.16 0.00 0.00 32.46 30.16 2fy5 n ARG 89 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2fy5 s LEU 90 N -3.62 3.14 0.41 0.55 1.43 -1.26 -1.93 118.68 117.40 2fy5 s LEU 90 Ca 0.04 2.28 -0.26 0.00 -1.03 0.00 0.00 54.13 55.17 2fy5 s LEU 90 Cb 0.15 -4.58 -0.08 0.00 0.03 0.00 0.00 46.19 41.71 2fy5 s LEU 90 CO 0.83 -2.54 1.28 0.00 0.23 0.00 0.00 176.35 176.15 2fy5 s ALA 91 N -2.24 3.22 0.22 4.21 0.00 -1.26 -4.12 121.76 121.78 2fy5 s ALA 91 Ca 0.71 1.19 -0.10 0.00 0.00 0.00 0.00 51.96 53.77 2fy5 s ALA 91 Cb -0.27 -3.47 0.18 0.00 0.00 0.00 0.00 23.12 19.56 2fy5 s ALA 91 CO 0.50 -0.80 1.88 -0.07 0.00 0.00 0.00 175.76 177.28 2fy5 h LEU 92 N 2.62 0.88 -9.48 0.00 3.38 -1.84 -3.35 115.31 107.53 2fy5 h LEU 92 Ca -0.49 -0.02 -0.59 0.00 0.09 0.00 0.00 57.88 56.87 2fy5 h LEU 92 Cb 1.25 -0.21 0.05 0.00 0.09 0.00 0.00 40.66 41.84 2fy5 h LEU 92 CO 0.62 0.63 0.80 -2.65 0.09 0.00 0.00 178.44 177.93 2fy5 n PRO 93 N -4.56 2.09 0.00 1.13 -0.02 -1.26 -0.97 135.00 131.42 2fy5 n PRO 93 Ca 0.08 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 2fy5 n PRO 93 Cb 0.03 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 30.99 2fy5 n PRO 93 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2fy5 n VAL 94 N 3.49 0.00 0.19 -1.45 0.31 -1.26 -4.49 118.33 115.11 2fy5 n VAL 94 Ca 0.17 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.54 2fy5 n VAL 94 Cb 0.28 0.00 0.36 0.00 -0.91 0.00 0.00 33.84 33.57 2fy5 n VAL 94 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2fy5 h ASN 95 N 0.00 0.00 0.00 4.52 2.35 -1.67 -0.47 115.58 120.31 2fy5 h ASN 95 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2fy5 h ASN 95 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2fy5 h ASN 95 CO 0.00 0.38 -0.08 -0.24 -1.65 0.00 0.00 177.43 175.85 2fy5 n SER 96 N -3.94 -0.00 -4.59 5.81 2.88 -0.14 -4.83 113.62 108.81 2fy5 n SER 96 Ca -0.02 0.03 -0.42 0.00 -1.33 0.00 0.00 58.87 57.13 2fy5 n SER 96 Cb 0.43 0.02 -0.02 0.00 -0.75 0.00 0.00 64.21 63.89 2fy5 n SER 96 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2fy5 s SER 97 N -5.01 6.25 0.87 -3.46 0.01 -0.34 -4.56 113.70 107.46 2fy5 s SER 97 Ca 0.00 0.60 -0.12 0.00 1.31 0.00 0.00 55.95 57.74 2fy5 s SER 97 Cb 0.00 -2.54 0.12 0.00 0.21 0.00 0.00 66.02 63.80 2fy5 s SER 97 CO 0.00 -1.55 1.10 -2.16 0.41 0.00 0.00 173.24 171.04 2fy5 s PRO 98 N 5.18 1.44 -0.01 12.44 0.04 -1.14 -4.30 135.00 148.65 2fy5 s PRO 98 Ca 0.58 0.69 0.02 0.00 0.04 0.00 0.00 61.00 62.33 2fy5 s PRO 98 Cb -0.12 -1.84 -0.00 0.00 0.04 0.00 0.00 34.50 32.58 2fy5 s PRO 98 CO 0.30 -2.08 -0.08 0.00 0.04 0.00 0.00 177.00 175.18 2fy5 s ALA 99 N -3.04 0.71 -0.23 8.56 0.00 -0.42 -0.80 121.76 126.55 2fy5 s ALA 99 Ca 0.63 -0.32 -0.05 0.00 0.00 0.00 0.00 51.96 52.22 2fy5 s ALA 99 Cb -0.17 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 2fy5 s ALA 99 CO 0.56 0.14 0.01 0.08 0.00 0.00 0.00 175.76 176.55 2fy5 s VAL 100 N -0.01 3.82 -0.23 0.00 1.01 -1.06 -1.16 120.40 122.77 2fy5 s VAL 100 Ca 0.00 -0.34 -0.08 0.00 0.00 0.00 0.00 61.98 61.56 2fy5 s VAL 100 Cb -0.05 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 2fy5 s VAL 100 CO -0.00 0.39 0.08 -0.63 0.00 0.00 0.00 175.10 174.95 2fy5 s ILE 101 N 1.45 4.62 0.76 2.22 1.09 -0.08 -1.04 121.20 130.21 2fy5 s ILE 101 Ca 0.05 -0.08 -0.10 0.00 -1.10 0.00 0.00 60.65 59.43 2fy5 s ILE 101 Cb -0.15 -3.14 0.07 0.00 -1.06 0.00 0.00 42.46 38.18 2fy5 s ILE 101 CO 0.00 0.37 1.11 -0.36 -0.10 0.00 0.00 174.94 175.96 2fy5 s PHE 102 N 1.21 2.96 0.93 3.97 0.08 -0.65 -2.41 117.98 124.07 2fy5 s PHE 102 Ca 0.05 0.64 -0.11 0.00 0.12 0.00 0.00 56.93 57.64 2fy5 s PHE 102 Cb -0.14 -3.36 0.13 0.00 -0.57 0.00 0.00 43.02 39.08 2fy5 s PHE 102 CO 0.04 -1.60 1.00 0.00 -0.10 0.00 0.00 175.22 174.56 2fy5 n ALA 103 N -3.14 -1.21 -1.94 5.36 0.00 -1.26 -4.68 120.51 113.64 2fy5 n ALA 103 Ca 0.08 -0.58 -0.41 0.00 0.00 0.00 0.00 53.44 52.53 2fy5 n ALA 103 Cb 0.61 -2.12 -0.03 0.00 0.00 0.00 0.00 19.45 17.90 2fy5 n ALA 103 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2fy5 s ARG 104 N -4.44 4.49 0.50 0.00 1.70 -1.26 -4.65 118.95 115.29 2fy5 s ARG 104 Ca 0.65 1.94 0.08 0.00 -0.47 0.00 0.00 55.73 57.93 2fy5 s ARG 104 Cb -0.23 -3.20 0.03 0.00 -0.57 0.00 0.00 34.95 30.99 2fy5 s ARG 104 CO 0.60 -0.06 0.54 -0.65 -1.08 0.00 0.00 175.30 174.64 2fy5 s GLN 105 N -0.71 2.43 -0.17 3.89 -1.52 -0.88 -5.07 119.66 117.62 2fy5 s GLN 105 Ca 0.51 -1.66 -0.03 0.00 -1.95 0.00 0.00 55.36 52.23 2fy5 s GLN 105 Cb -0.34 -2.43 0.06 0.00 -0.22 0.00 0.00 33.01 30.07 2fy5 s GLN 105 CO 0.40 -0.52 0.04 -1.01 -0.25 0.00 0.00 175.29 173.95 2fy5 s HIS 106 N -2.60 0.79 -0.53 0.91 3.76 -1.26 -4.55 115.29 111.82 2fy5 s HIS 106 Ca 0.49 -0.65 0.00 0.00 -0.15 0.00 0.00 55.06 54.75 2fy5 s HIS 106 Cb -0.05 -0.92 0.14 0.00 1.11 0.00 0.00 32.58 32.86 2fy5 s HIS 106 CO 0.30 -0.55 0.30 -0.06 -0.85 0.00 0.00 174.74 173.88 2fy5 s PHE 107 N 1.94 3.39 0.11 1.40 2.99 -1.26 -4.98 117.98 121.57 2fy5 s PHE 107 Ca 0.00 -2.88 -0.25 0.00 0.00 0.00 0.00 56.93 53.81 2fy5 s PHE 107 Cb -0.16 -3.04 -0.07 0.00 0.00 0.00 0.00 43.02 39.74 2fy5 s PHE 107 CO -0.08 -0.83 1.66 -1.35 -0.00 0.00 0.00 175.22 174.62 2fy5 h PRO 108 N 7.03 -0.30 -6.20 0.24 0.11 -1.95 -3.44 132.00 127.48 2fy5 h PRO 108 Ca -0.06 0.02 -0.61 0.00 0.11 0.00 0.00 66.00 65.47 2fy5 h PRO 108 Cb 0.95 0.07 -0.14 0.00 0.11 0.00 0.00 31.00 31.98 2fy5 h PRO 108 CO 0.68 -0.20 -0.76 0.20 -0.21 0.00 0.00 178.00 177.71 2fy5 s GLY 109 N -2.45 1.86 0.44 -0.55 0.00 -1.26 -5.01 107.32 100.33 2fy5 s GLY 109 Ca -0.15 -1.85 0.25 0.00 0.00 0.00 0.00 44.72 42.97 2fy5 s GLY 109 CO 0.66 -1.94 1.74 -0.84 0.00 0.00 0.00 173.10 172.72 2fy5 h THR 110 N 2.34 0.41 0.00 0.90 2.02 -1.93 0.40 112.91 117.05 2fy5 h THR 110 Ca -0.40 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 66.67 2fy5 h THR 110 Cb 1.25 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.80 2fy5 h THR 110 CO 0.59 0.05 -0.12 0.44 0.37 0.00 0.00 175.52 176.85 2fy5 h ASP 111 N 0.25 0.00 0.69 4.18 3.32 -1.96 -0.76 116.42 122.13 2fy5 h ASP 111 Ca 0.64 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.57 2fy5 h ASP 111 Cb 1.91 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.44 2fy5 h ASP 111 CO -0.27 0.12 -0.59 0.44 -1.72 0.00 0.00 179.24 177.22 2fy5 h ASP 112 N 0.00 0.00 -0.03 6.45 3.32 -0.56 0.79 116.42 126.39 2fy5 h ASP 112 Ca -0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 2fy5 h ASP 112 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2fy5 h ASP 112 CO 0.02 0.59 -0.30 -0.61 -1.72 0.00 0.00 179.24 177.22 2fy5 h GLN 113 N 0.00 0.26 0.00 3.56 4.15 -1.23 -2.89 115.11 118.96 2fy5 h GLN 113 Ca -0.01 -0.24 -0.10 0.00 0.77 0.00 0.00 58.65 59.08 2fy5 h GLN 113 Cb 1.10 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.83 2fy5 h GLN 113 CO 0.08 0.91 -0.47 -0.07 -1.93 0.00 0.00 178.83 177.35 2fy5 h LEU 114 N -0.30 0.00 -0.37 -2.39 3.38 -1.12 -1.23 115.31 113.28 2fy5 h LEU 114 Ca -0.03 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 2fy5 h LEU 114 Cb 0.99 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2fy5 h LEU 114 CO 0.06 0.47 -0.13 0.03 0.09 0.00 0.00 178.44 178.96 2fy5 h ARG 115 N 0.00 0.74 0.55 1.13 3.08 -0.90 -0.11 114.38 118.87 2fy5 h ARG 115 Ca -0.00 -0.30 -0.03 0.00 0.07 0.00 0.00 59.98 59.72 2fy5 h ARG 115 Cb 0.86 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.88 2fy5 h ARG 115 CO 0.06 0.90 -0.29 0.35 -1.07 0.00 0.00 179.97 179.93 2fy5 h PHE 116 N 0.53 -0.75 -0.96 3.04 3.57 -1.28 -1.09 116.94 120.00 2fy5 h PHE 116 Ca 0.09 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.73 2fy5 h PHE 116 Cb 0.65 0.26 -0.09 0.00 2.79 0.00 0.00 35.95 39.56 2fy5 h PHE 116 CO 0.05 -0.46 0.61 0.00 -2.23 0.00 0.00 178.31 176.28 2fy5 h ALA 117 N -0.34 1.72 0.13 2.41 0.00 -1.16 0.12 119.26 122.14 2fy5 h ALA 117 Ca -0.07 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2fy5 h ALA 117 Cb 0.61 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2fy5 h ALA 117 CO 0.11 -0.01 -0.06 0.00 0.00 0.00 0.00 179.25 179.28 2fy5 h ALA 118 N 1.59 -0.18 -0.27 0.00 0.00 -0.56 -1.32 119.26 118.53 2fy5 h ALA 118 Ca 0.51 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.32 2fy5 h ALA 118 Cb 0.75 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2fy5 h ALA 118 CO -0.27 -0.49 0.07 1.03 0.00 0.00 0.00 179.25 179.58 2fy5 h SER 119 N -0.39 0.05 -0.74 0.00 0.87 -0.42 -1.16 113.55 111.76 2fy5 h SER 119 Ca -0.02 0.04 0.09 0.00 -1.23 0.00 0.00 61.79 60.66 2fy5 h SER 119 Cb 0.31 0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 62.25 2fy5 h SER 119 CO 0.03 0.06 0.40 0.25 -0.53 0.00 0.00 176.83 177.04 2fy5 h LEU 120 N 0.18 0.56 -1.18 2.23 6.46 -0.73 0.32 115.31 123.15 2fy5 h LEU 120 Ca 0.12 0.05 -0.07 0.00 -0.12 0.00 0.00 57.88 57.86 2fy5 h LEU 120 Cb 0.11 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 39.97 2fy5 h LEU 120 CO -0.15 0.33 -0.19 0.40 -0.62 0.00 0.00 178.44 178.22 2fy5 h ILE 121 N 0.69 1.23 -0.07 4.05 2.04 -0.59 -0.85 117.51 124.02 2fy5 h ILE 121 Ca 0.36 -1.03 -0.12 0.00 1.00 0.00 0.00 64.86 65.06 2fy5 h ILE 121 Cb 0.32 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 2fy5 h ILE 121 CO -0.24 0.32 -0.51 0.28 0.00 0.00 0.00 178.15 178.00 2fy5 h SER 122 N 0.32 0.20 -0.40 1.72 0.02 0.13 -1.44 113.55 114.09 2fy5 h SER 122 Ca 0.06 -0.10 -0.14 0.00 -0.84 0.00 0.00 61.79 60.77 2fy5 h SER 122 Cb 0.51 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 2fy5 h SER 122 CO 0.03 0.67 -0.30 1.23 -1.14 0.00 0.00 176.83 177.32 2fy5 h GLY 123 N 1.40 1.02 0.93 -3.77 0.00 -0.15 -2.07 103.07 100.44 2fy5 h GLY 123 Ca 0.00 -0.97 -0.00 0.00 0.00 0.00 0.00 47.33 46.36 2fy5 h GLY 123 CO 0.08 0.88 0.07 -2.08 0.00 0.00 0.00 176.54 175.48 2fy5 h VAL 124 N 0.79 1.09 -0.05 4.60 2.07 -0.86 -0.80 116.25 123.09 2fy5 h VAL 124 Ca 0.08 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.38 2fy5 h VAL 124 Cb 0.88 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 2fy5 h VAL 124 CO 0.08 0.08 -0.14 -0.07 0.02 0.00 0.00 177.57 177.55 2fy5 h LEU 125 N 0.10 -0.41 -1.13 2.57 3.38 -1.13 0.11 115.31 118.80 2fy5 h LEU 125 Ca 0.04 0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 2fy5 h LEU 125 Cb 0.08 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2fy5 h LEU 125 CO -0.01 -0.19 -0.36 0.77 0.09 0.00 0.00 178.44 178.75 2fy5 h SER 126 N -0.21 0.00 1.06 -0.43 4.64 -1.34 -1.45 113.55 115.82 2fy5 h SER 126 Ca 0.06 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.29 2fy5 h SER 126 Cb 0.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 2fy5 h SER 126 CO -0.17 0.36 -0.43 0.22 -0.87 0.00 0.00 176.83 175.94 2fy5 h TYR 127 N 0.00 0.00 0.00 4.77 3.20 -0.66 -2.19 116.97 122.09 2fy5 h TYR 127 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2fy5 h TYR 127 Cb 0.78 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.05 2fy5 h TYR 127 CO 0.00 0.43 -0.14 -0.22 -1.64 0.00 0.00 178.16 176.59 2fy5 h LYS 128 N 0.00 0.00 0.02 1.82 3.64 -0.08 -2.78 116.57 119.18 2fy5 h LYS 128 Ca -0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2fy5 h LYS 128 Cb 1.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2fy5 h LYS 128 CO 0.06 0.00 -0.01 0.00 -2.27 0.00 0.00 179.45 177.23 2fy5 h ALA 129 N 2.28 -0.02 -0.95 5.00 0.00 -0.81 -0.84 119.26 123.92 2fy5 h ALA 129 Ca 0.00 -0.39 0.11 0.00 0.00 0.00 0.00 54.91 54.63 2fy5 h ALA 129 Cb 0.86 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 2fy5 h ALA 129 CO 0.00 -0.08 0.61 -0.07 0.00 0.00 0.00 179.25 179.71 2fy5 h LEU 130 N -0.88 0.87 0.14 0.00 3.38 -1.47 -0.36 115.31 116.98 2fy5 h LEU 130 Ca -0.00 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2fy5 h LEU 130 Cb 0.78 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2fy5 h LEU 130 CO 0.00 0.49 -0.07 0.25 0.09 0.00 0.00 178.44 179.20 2fy5 h LEU 131 N 0.95 -0.16 -2.24 1.67 5.85 -1.50 0.13 115.31 120.01 2fy5 h LEU 131 Ca 0.46 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 2fy5 h LEU 131 Cb 0.45 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 2fy5 h LEU 131 CO -0.22 0.08 -0.05 0.44 -0.34 0.00 0.00 178.44 178.35 2fy5 h ASP 132 N -0.40 0.00 -0.49 1.25 3.32 -0.17 -1.83 116.42 118.10 2fy5 h ASP 132 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2fy5 h ASP 132 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2fy5 h ASP 132 CO 0.03 0.05 0.00 -1.54 -1.72 0.00 0.00 179.24 176.07 2fy5 n SER 133 N -3.52 4.82 -4.23 6.45 3.41 -0.24 -4.94 113.62 115.36 2fy5 n SER 133 Ca -0.02 -2.79 -0.37 0.00 -0.26 0.00 0.00 58.87 55.43 2fy5 n SER 133 Cb 0.17 -0.59 -0.05 0.00 -0.26 0.00 0.00 64.21 63.48 2fy5 n SER 133 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2fy5 n HIS 134 N 0.40 -1.52 1.27 7.33 8.25 -0.69 -4.79 115.22 125.47 2fy5 n HIS 134 Ca 0.25 0.70 0.13 0.00 -0.26 0.00 0.00 57.72 58.53 2fy5 n HIS 134 Cb 0.99 -2.42 0.33 0.00 1.12 0.00 0.00 29.99 30.02 2fy5 n HIS 134 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2fy5 n SER 135 N -2.50 1.72 -4.69 0.41 7.64 0.39 -4.89 113.62 111.69 2fy5 n SER 135 Ca 0.09 -1.42 -0.42 0.00 1.01 0.00 0.00 58.87 58.12 2fy5 n SER 135 Cb 0.48 0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.75 2fy5 n SER 135 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2fy5 s ILE 136 N -2.21 4.23 0.14 0.44 2.07 -1.24 -4.96 121.20 119.67 2fy5 s ILE 136 Ca 0.30 1.57 -0.32 0.00 -1.41 0.00 0.00 60.65 60.78 2fy5 s ILE 136 Cb 0.20 -4.01 -0.12 0.00 0.13 0.00 0.00 42.46 38.67 2fy5 s ILE 136 CO 0.41 0.03 1.76 -2.65 -1.91 0.00 0.00 174.94 172.58 2fy5 n PRO 137 N 4.89 2.63 -1.82 3.50 -0.02 -1.26 -4.91 135.00 138.01 2fy5 n PRO 137 Ca 0.10 0.95 -0.42 0.00 -2.02 0.00 0.00 63.50 62.11 2fy5 n PRO 137 Cb 0.46 -2.81 -0.03 0.00 -0.02 0.00 0.00 33.50 31.11 2fy5 n PRO 137 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2fy5 s THR 138 N 2.06 3.07 0.84 3.45 2.01 -1.26 -4.97 115.64 120.84 2fy5 s THR 138 Ca 0.80 0.29 -0.10 0.00 0.31 0.00 0.00 61.69 62.99 2fy5 s THR 138 Cb -0.54 -3.19 0.10 0.00 0.01 0.00 0.00 72.50 68.88 2fy5 s THR 138 CO 0.37 -0.02 1.12 -1.81 -0.69 0.00 0.00 174.62 173.60 2fy5 s ASP 139 N 3.43 3.69 0.21 3.53 1.01 -1.26 -4.89 116.67 122.39 2fy5 s ASP 139 Ca 0.80 2.02 0.04 0.00 0.71 0.00 0.00 52.55 56.12 2fy5 s ASP 139 Cb -0.40 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 40.93 2fy5 s ASP 139 CO 0.36 -2.58 -0.04 0.00 0.21 0.00 0.00 175.17 173.12 2fy5 s ALA 141 N -3.38 2.73 0.16 0.00 0.00 -0.76 -4.89 121.76 115.62 2fy5 s ALA 141 Ca 0.25 0.80 -0.01 0.00 0.00 0.00 0.00 51.96 52.99 2fy5 s ALA 141 Cb 0.05 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 2fy5 s ALA 141 CO 0.06 -0.69 0.10 0.15 0.00 0.00 0.00 175.76 175.38 2fy5 s LYS 142 N -3.25 1.05 4.00 0.00 1.02 -1.26 -2.91 119.74 118.39 2fy5 s LYS 142 Ca 0.72 -1.50 0.00 0.00 0.02 0.00 0.00 55.97 55.20 2fy5 s LYS 142 Cb -0.23 0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.34 2fy5 s LYS 142 CO 0.26 -0.32 0.00 0.41 -0.92 0.00 0.00 175.35 174.78 2fy5 n GLY 143 N -0.17 1.98 3.23 -3.33 0.00 -1.26 -4.66 105.19 100.98 2fy5 n GLY 143 Ca -0.03 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 2fy5 n GLY 143 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2fy5 s GLN 144 N 0.00 2.80 -0.02 1.61 -1.52 -1.26 -4.68 119.66 116.59 2fy5 s GLN 144 Ca 0.00 -2.04 -0.00 0.00 -1.95 0.00 0.00 55.36 51.37 2fy5 s GLN 144 Cb 0.00 -4.05 0.00 0.00 -0.22 0.00 0.00 33.01 28.74 2fy5 s GLN 144 CO 0.00 -1.23 0.00 1.28 -0.25 0.00 0.00 175.29 175.09 2fy5 n LEU 145 N 4.51 -2.37 -4.14 2.90 4.77 -1.26 -5.03 117.00 116.37 2fy5 n LEU 145 Ca -0.01 0.11 -0.26 0.00 -0.03 0.00 0.00 56.01 55.81 2fy5 n LEU 145 Cb 0.41 -1.16 -0.16 0.00 -2.33 0.00 0.00 43.42 40.19 2fy5 n LEU 145 CO 0.41 -0.23 -0.51 -0.94 -1.33 0.00 0.00 177.39 174.79 2fy5 s SER 146 N -0.09 2.22 0.00 -1.43 1.04 -1.26 -4.45 113.70 109.72 2fy5 s SER 146 Ca -0.00 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.06 2fy5 s SER 146 Cb 0.00 -0.61 0.00 0.00 0.10 0.00 0.00 66.02 65.51 2fy5 s SER 146 CO 0.05 0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.04 2fy5 n GLY 147 N 3.12 1.41 3.81 7.32 0.00 -1.15 -4.95 105.19 114.76 2fy5 n GLY 147 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 2fy5 n GLY 147 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2fy5 s GLN 148 N 0.00 3.83 0.65 1.61 -0.21 -1.26 -4.62 119.66 119.65 2fy5 s GLN 148 Ca 0.00 1.18 -0.17 0.00 0.02 0.00 0.00 55.36 56.39 2fy5 s GLN 148 Cb 0.00 -2.11 -0.00 0.00 1.00 0.00 0.00 33.01 31.90 2fy5 s GLN 148 CO 0.00 -0.39 1.23 -2.14 -2.12 0.00 0.00 175.29 171.88 2fy5 s PRO 149 N -3.60 2.57 0.25 2.91 0.02 -1.26 -1.82 135.00 134.07 2fy5 s PRO 149 Ca 0.63 1.87 0.11 0.00 0.02 0.00 0.00 61.00 63.64 2fy5 s PRO 149 Cb -0.13 -1.87 -0.05 0.00 0.02 0.00 0.00 34.50 32.47 2fy5 s PRO 149 CO 0.25 -1.53 -0.17 -0.51 -0.33 0.00 0.00 177.00 174.71 2fy5 s LEU 150 N -4.52 2.69 0.30 -5.54 1.43 -0.71 -4.68 118.68 107.65 2fy5 s LEU 150 Ca 0.78 -0.89 -0.29 0.00 -1.03 0.00 0.00 54.13 52.70 2fy5 s LEU 150 Cb -0.32 -1.27 -0.10 0.00 0.03 0.00 0.00 46.19 44.53 2fy5 s LEU 150 CO 0.39 0.06 1.17 0.00 0.23 0.00 0.00 176.35 178.20 2fy5 n MET 152 N 1.05 1.37 -0.35 0.00 0.00 -1.26 -4.70 117.12 113.23 2fy5 n MET 152 Ca -0.01 -0.94 0.25 0.00 0.00 0.00 0.00 57.70 57.00 2fy5 n MET 152 Cb 0.44 -1.19 0.49 0.00 0.00 0.00 0.00 33.22 32.96 2fy5 n MET 152 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 2fy5 h LYS 153 N 1.85 0.34 -0.72 0.03 3.64 -1.97 -0.52 116.57 119.21 2fy5 h LYS 153 Ca 0.00 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2fy5 h LYS 153 Cb 0.46 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.16 2fy5 h LYS 153 CO 0.00 0.22 0.48 1.96 -2.27 0.00 0.00 179.45 179.84 2fy5 h GLN 154 N 0.35 0.85 -0.06 1.90 4.20 -1.86 -2.32 115.11 118.16 2fy5 h GLN 154 Ca 0.71 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 59.38 2fy5 h GLN 154 Cb 1.70 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 29.26 2fy5 h GLN 154 CO -0.50 0.56 -0.20 1.88 -0.67 0.00 0.00 178.83 179.90 2fy5 h TYR 155 N 0.88 -0.60 0.00 2.96 -1.99 -1.44 -2.63 116.97 114.15 2fy5 h TYR 155 Ca 0.29 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 61.04 2fy5 h TYR 155 Cb 0.06 0.27 -0.00 0.00 2.00 0.00 0.00 36.73 39.06 2fy5 h TYR 155 CO -0.00 -0.20 0.23 0.66 -0.00 0.00 0.00 178.16 178.85 2fy5 n TYR 156 N -3.63 0.00 -0.06 4.88 4.02 -0.87 0.13 117.16 121.63 2fy5 n TYR 156 Ca -0.02 -0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 2fy5 n TYR 156 Cb 0.14 -0.32 0.00 0.00 -0.02 0.00 0.00 39.34 39.13 2fy5 n TYR 156 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2fy5 n GLY 157 N 2.47 0.15 0.21 2.72 0.00 -0.99 -4.80 105.19 104.95 2fy5 n GLY 157 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 2fy5 n GLY 157 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2fy5 h LEU 158 N 0.00 -0.54 0.00 0.99 3.38 0.98 -3.32 115.31 116.81 2fy5 h LEU 158 Ca 0.00 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2fy5 h LEU 158 Cb 0.00 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2fy5 h LEU 158 CO 0.00 -0.20 -0.53 0.49 0.09 0.00 0.00 178.44 178.29 2fy5 n PHE 159 N -5.33 0.00 -0.63 1.13 3.01 -1.26 -4.26 117.46 110.13 2fy5 n PHE 159 Ca -0.00 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.37 2fy5 n PHE 159 Cb 0.24 -0.03 0.21 0.00 -0.01 0.00 0.00 39.48 39.89 2fy5 n PHE 159 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2fy5 n SER 160 N -1.28 4.00 -4.27 4.37 3.41 -1.25 -4.60 113.62 114.01 2fy5 n SER 160 Ca 0.01 -3.04 -0.20 0.00 -0.26 0.00 0.00 58.87 55.37 2fy5 n SER 160 Cb 0.12 -0.72 -0.11 0.00 -0.26 0.00 0.00 64.21 63.24 2fy5 n SER 160 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2fy5 s SER 161 N -0.71 2.23 -0.12 4.04 0.01 -1.25 -4.96 113.70 112.95 2fy5 s SER 161 Ca 0.43 -0.79 -0.10 0.00 1.31 0.00 0.00 55.95 56.81 2fy5 s SER 161 Cb 0.35 -0.10 0.03 0.00 0.21 0.00 0.00 66.02 66.52 2fy5 s SER 161 CO 0.10 -0.08 0.31 -0.47 0.41 0.00 0.00 173.24 173.50 2fy5 s TYR 162 N -1.91 -0.36 -0.37 2.43 5.04 -1.26 -3.56 117.35 117.36 2fy5 s TYR 162 Ca 0.09 0.86 -0.09 0.00 -2.44 0.00 0.00 57.07 55.49 2fy5 s TYR 162 Cb -0.06 0.12 0.04 0.00 0.35 0.00 0.00 41.96 42.41 2fy5 s TYR 162 CO 0.04 -0.19 0.19 0.50 -1.34 0.00 0.00 175.55 174.75 2fy5 s ARG 163 N 0.44 2.71 0.04 4.97 3.52 -0.41 0.55 118.95 130.76 2fy5 s ARG 163 Ca -0.02 -1.20 -0.25 0.00 -0.13 0.00 0.00 55.73 54.13 2fy5 s ARG 163 Cb -0.04 -3.66 -0.05 0.00 -1.56 0.00 0.00 34.95 29.63 2fy5 s ARG 163 CO -0.02 -0.75 0.76 -1.17 -0.81 0.00 0.00 175.30 173.31 2fy5 s LEU 164 N 1.48 4.44 0.46 -0.88 2.96 -0.11 -4.66 118.68 122.37 2fy5 s LEU 164 Ca 0.01 1.44 -0.18 0.00 -0.22 0.00 0.00 54.13 55.18 2fy5 s LEU 164 Cb -0.20 -3.22 -0.09 0.00 0.50 0.00 0.00 46.19 43.17 2fy5 s LEU 164 CO 0.05 0.01 0.93 -2.16 -1.32 0.00 0.00 176.35 173.86 2fy5 s PRO 165 N -0.03 4.05 0.07 0.98 0.04 -1.26 -1.23 135.00 137.62 2fy5 s PRO 165 Ca 0.38 0.96 -0.04 0.00 0.04 0.00 0.00 61.00 62.34 2fy5 s PRO 165 Cb -0.20 -2.20 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 2fy5 s PRO 165 CO 0.23 -0.12 0.06 0.20 0.04 0.00 0.00 177.00 177.41 2fy5 s GLY 166 N -2.67 0.36 0.14 0.56 0.00 -1.25 -4.78 107.32 99.68 2fy5 s GLY 166 Ca 0.59 -1.00 -0.19 0.00 0.00 0.00 0.00 44.72 44.12 2fy5 s GLY 166 CO 0.23 -1.12 1.71 0.84 0.00 0.00 0.00 173.10 174.76 2fy5 h HIS 167 N 2.97 -0.04 0.00 1.90 2.76 -1.88 -3.36 115.15 117.51 2fy5 h HIS 167 Ca -0.34 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 57.76 2fy5 h HIS 167 Cb 1.17 0.06 -0.02 0.00 1.55 0.00 0.00 27.41 30.17 2fy5 h HIS 167 CO 0.48 -0.06 -1.33 0.25 -1.30 0.00 0.00 177.93 175.98 2fy5 n THR 168 N -5.17 0.33 -3.94 6.26 -2.24 -1.26 -4.58 114.28 103.68 2fy5 n THR 168 Ca -0.01 -0.20 -0.18 0.00 -2.27 0.00 0.00 64.05 61.38 2fy5 n THR 168 Cb 0.14 -0.87 -0.16 0.00 -2.10 0.00 0.00 70.33 67.34 2fy5 n THR 168 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2fy5 s GLN 169 N -2.12 0.42 0.87 -0.78 0.74 -1.26 -4.77 119.66 112.76 2fy5 s GLN 169 Ca -0.02 0.06 -0.12 0.00 0.05 0.00 0.00 55.36 55.33 2fy5 s GLN 169 Cb 0.01 -0.62 0.12 0.00 1.10 0.00 0.00 33.01 33.62 2fy5 s GLN 169 CO 0.20 -0.16 1.13 -0.51 -0.55 0.00 0.00 175.29 175.40 2fy5 s ASP 170 N 1.19 3.85 -0.04 6.67 1.11 -0.57 -3.96 116.67 124.92 2fy5 s ASP 170 Ca -0.07 1.02 0.01 0.00 0.18 0.00 0.00 52.55 53.69 2fy5 s ASP 170 Cb -0.13 -1.62 0.02 0.00 1.07 0.00 0.00 42.92 42.25 2fy5 s ASP 170 CO -0.02 -2.34 -0.06 -0.89 1.18 0.00 0.00 175.17 173.04 2fy5 s THR 171 N -3.29 0.64 -0.04 -1.27 2.01 -0.36 -4.87 115.64 108.46 2fy5 s THR 171 Ca 0.63 -0.20 -0.23 0.00 0.31 0.00 0.00 61.69 62.20 2fy5 s THR 171 Cb -0.14 -0.63 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 2fy5 s THR 171 CO 0.53 0.24 0.70 -0.22 -0.69 0.00 0.00 174.62 175.18 2fy5 s LEU 172 N 0.78 4.35 0.00 4.42 2.96 -1.26 -0.94 118.68 128.99 2fy5 s LEU 172 Ca -0.11 1.23 0.00 0.00 -0.22 0.00 0.00 54.13 55.03 2fy5 s LEU 172 Cb -0.14 -3.09 0.00 0.00 0.50 0.00 0.00 46.19 43.46 2fy5 s LEU 172 CO 0.01 -0.06 0.00 0.52 -1.32 0.00 0.00 176.35 175.49 2fy5 n VAL 173 N 3.47 0.00 -4.13 1.68 0.31 0.19 -4.96 118.33 114.88 2fy5 n VAL 173 Ca -0.02 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.08 2fy5 n VAL 173 Cb 0.51 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.39 2fy5 n VAL 173 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 2fy5 s MET 180 N 0.00 2.83 0.42 5.55 1.75 -1.26 -4.98 119.30 123.61 2fy5 s MET 180 Ca 0.00 -1.07 0.08 0.00 -1.25 0.00 0.00 55.69 53.45 2fy5 s MET 180 Cb 0.00 -2.52 -0.01 0.00 2.84 0.00 0.00 34.83 35.14 2fy5 s MET 180 CO 0.00 0.41 0.45 -1.25 -0.65 0.00 0.00 175.02 173.98 2fy5 s PRO 181 N -3.66 2.64 -0.23 4.11 0.04 -1.26 -5.15 135.00 131.49 2fy5 s PRO 181 Ca 0.32 -1.44 -0.12 0.00 0.04 0.00 0.00 61.00 59.81 2fy5 s PRO 181 Cb -0.08 -2.51 0.07 0.00 0.04 0.00 0.00 34.50 32.02 2fy5 s PRO 181 CO 0.24 -0.23 0.54 -2.00 0.04 0.00 0.00 177.00 175.59 2fy5 s GLU 182 N -4.22 0.53 0.64 4.56 2.56 -1.26 -4.14 118.70 117.37 2fy5 s GLU 182 Ca 0.51 1.03 -0.15 0.00 0.00 0.00 0.00 54.97 56.36 2fy5 s GLU 182 Cb -0.06 0.13 -0.01 0.00 2.00 0.00 0.00 34.13 36.19 2fy5 s GLU 182 CO 0.30 -0.17 1.09 -1.25 -0.56 0.00 0.00 175.26 174.67 2fy5 s PRO 183 N 1.70 2.98 0.10 4.30 0.04 -1.26 -5.13 135.00 137.73 2fy5 s PRO 183 Ca -0.09 1.30 -0.30 0.00 0.04 0.00 0.00 61.00 61.95 2fy5 s PRO 183 Cb -0.08 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 2fy5 s PRO 183 CO -0.16 -1.10 1.07 -1.21 0.04 0.00 0.00 177.00 175.64 2fy5 s GLU 184 N -4.14 4.57 0.10 4.56 2.02 -1.11 -4.98 118.70 119.72 2fy5 s GLU 184 Ca 0.65 1.61 -0.11 0.00 0.02 0.00 0.00 54.97 57.14 2fy5 s GLU 184 Cb -0.19 -3.36 0.01 0.00 0.10 0.00 0.00 34.13 30.70 2fy5 s GLU 184 CO 0.41 -0.00 0.27 -3.38 0.02 0.00 0.00 175.26 172.57 2fy5 s HIS 185 N 0.40 0.03 0.12 1.61 -3.43 -1.26 -1.20 115.29 111.54 2fy5 s HIS 185 Ca 0.52 -0.42 0.08 0.00 -0.80 0.00 0.00 55.06 54.44 2fy5 s HIS 185 Cb -0.26 0.06 -0.04 0.00 -1.43 0.00 0.00 32.58 30.90 2fy5 s HIS 185 CO 0.31 -0.60 -0.15 0.14 -2.00 0.00 0.00 174.74 172.43 2fy5 s VAL 186 N -3.84 3.04 -0.24 -5.38 -7.23 -0.10 -1.12 120.40 105.52 2fy5 s VAL 186 Ca 0.04 -1.44 -0.11 0.00 -1.81 0.00 0.00 61.98 58.67 2fy5 s VAL 186 Cb 0.04 -2.41 -0.05 0.00 0.56 0.00 0.00 36.38 34.52 2fy5 s VAL 186 CO -0.11 0.09 0.16 -0.63 -0.31 0.00 0.00 175.10 174.30 2fy5 s ILE 187 N -1.20 5.36 -0.26 -0.62 -1.09 -0.98 -0.41 121.20 122.00 2fy5 s ILE 187 Ca 0.19 0.19 -0.08 0.00 -2.23 0.00 0.00 60.65 58.72 2fy5 s ILE 187 Cb -0.11 -3.50 -0.03 0.00 -1.58 0.00 0.00 42.46 37.24 2fy5 s ILE 187 CO 0.12 0.35 0.11 -0.69 -1.23 0.00 0.00 174.94 173.59 2fy5 s VAL 188 N 1.02 4.62 -0.21 2.92 1.01 -0.53 -0.90 120.40 128.34 2fy5 s VAL 188 Ca 0.08 -0.07 -0.07 0.00 0.00 0.00 0.00 61.98 61.91 2fy5 s VAL 188 Cb -0.13 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 2fy5 s VAL 188 CO 0.04 0.31 0.05 0.00 0.00 0.00 0.00 175.10 175.50 2fy5 s ALA 189 N 1.66 3.25 -0.06 5.51 0.00 -0.78 -1.42 121.76 129.91 2fy5 s ALA 189 Ca 0.07 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 51.07 2fy5 s ALA 189 Cb -0.15 -1.95 0.04 0.00 0.00 0.00 0.00 23.12 21.06 2fy5 s ALA 189 CO 0.06 -0.11 0.13 0.00 0.00 0.00 0.00 175.76 175.84 2fy5 n ASN 192 N -2.15 -5.09 -4.85 0.00 3.02 -1.26 -4.98 115.26 99.94 2fy5 n ASN 192 Ca -0.11 0.06 -0.37 0.00 -0.03 0.00 0.00 54.58 54.13 2fy5 n ASN 192 Cb 0.61 -2.81 -0.06 0.00 -0.61 0.00 0.00 39.78 36.92 2fy5 n ASN 192 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2fy5 s GLN 193 N -1.73 3.59 -0.17 3.52 -1.52 -0.62 -4.66 119.66 118.07 2fy5 s GLN 193 Ca 0.00 -0.11 -0.06 0.00 -1.95 0.00 0.00 55.36 53.24 2fy5 s GLN 193 Cb 0.00 -3.23 -0.04 0.00 -0.22 0.00 0.00 33.01 29.52 2fy5 s GLN 193 CO 0.00 0.70 0.03 -0.06 -0.25 0.00 0.00 175.29 175.71 2fy5 s PHE 194 N -0.81 3.19 0.21 0.91 0.40 -1.26 -1.52 117.98 119.10 2fy5 s PHE 194 Ca 0.15 -0.02 0.11 0.00 -0.60 0.00 0.00 56.93 56.57 2fy5 s PHE 194 Cb -0.12 -2.02 -0.05 0.00 0.51 0.00 0.00 43.02 41.34 2fy5 s PHE 194 CO 0.04 0.13 -0.21 -0.06 0.70 0.00 0.00 175.22 175.82 2fy5 s PHE 195 N 0.26 2.13 -0.33 0.36 0.40 -0.51 -1.59 117.98 118.70 2fy5 s PHE 195 Ca 0.02 -0.40 -0.10 0.00 -0.60 0.00 0.00 56.93 55.85 2fy5 s PHE 195 Cb -0.13 -1.01 0.00 0.00 0.51 0.00 0.00 43.02 42.39 2fy5 s PHE 195 CO 0.01 0.51 0.18 0.08 0.70 0.00 0.00 175.22 176.70 2fy5 s VAL 196 N -2.10 4.69 -0.37 -0.44 1.01 0.15 -1.45 120.40 121.89 2fy5 s VAL 196 Ca 0.22 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 2fy5 s VAL 196 Cb -0.06 -3.45 0.08 0.00 0.00 0.00 0.00 36.38 32.95 2fy5 s VAL 196 CO 0.10 -0.02 0.13 -0.22 0.00 0.00 0.00 175.10 175.09 2fy5 s LEU 197 N 1.61 4.71 0.06 3.92 2.96 0.45 -2.74 118.68 129.65 2fy5 s LEU 197 Ca 0.04 -1.67 -0.31 0.00 -0.22 0.00 0.00 54.13 51.97 2fy5 s LEU 197 Cb -0.18 -1.80 -0.06 0.00 0.50 0.00 0.00 46.19 44.65 2fy5 s LEU 197 CO 0.07 -0.43 1.35 -1.81 -1.32 0.00 0.00 176.35 174.21 2fy5 s ASP 198 N 1.60 6.89 -0.00 3.68 1.01 -1.26 -0.93 116.67 127.66 2fy5 s ASP 198 Ca 0.03 2.17 0.08 0.00 0.71 0.00 0.00 52.55 55.54 2fy5 s ASP 198 Cb -0.21 -2.57 -0.10 0.00 1.01 0.00 0.00 42.92 41.04 2fy5 s ASP 198 CO -0.02 -0.64 0.28 1.33 0.21 0.00 0.00 175.17 176.33 2fy5 n VAL 199 N 4.22 0.00 -3.51 -1.27 0.24 -0.34 -4.93 118.33 112.73 2fy5 n VAL 199 Ca 0.12 -0.27 -0.20 0.00 -2.04 0.00 0.00 64.34 61.94 2fy5 n VAL 199 Cb 0.44 0.76 -0.14 0.00 -1.47 0.00 0.00 33.84 33.43 2fy5 n VAL 199 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2fy5 s VAL 200 N -2.04 -0.27 0.00 3.34 1.01 -1.08 -1.66 120.40 119.70 2fy5 s VAL 200 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.80 2fy5 s VAL 200 Cb 0.06 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.74 2fy5 s VAL 200 CO 0.33 -0.27 0.00 -0.38 0.00 0.00 0.00 175.10 174.78 2fy5 n ILE 201 N 5.31 0.00 -3.24 2.22 5.41 -0.58 -2.76 119.36 125.71 2fy5 n ILE 201 Ca -0.06 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.26 2fy5 n ILE 201 Cb 0.49 -0.38 -0.00 0.00 -0.71 0.00 0.00 39.64 39.03 2fy5 n ILE 201 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2fy5 n ASN 202 N 0.00 5.70 0.00 4.38 3.02 -1.26 -4.58 115.26 122.52 2fy5 n ASN 202 Ca 0.00 -3.20 0.00 0.00 -0.03 0.00 0.00 54.58 51.35 2fy5 n ASN 202 Cb 0.00 -1.29 0.00 0.00 -0.61 0.00 0.00 39.78 37.88 2fy5 n ASN 202 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2fy5 n PHE 203 N 2.10 0.00 -3.10 3.10 0.99 -1.26 -4.94 117.46 114.34 2fy5 n PHE 203 Ca 0.25 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 57.27 2fy5 n PHE 203 Cb 0.37 -1.39 -0.07 0.00 -1.00 0.00 0.00 39.48 37.39 2fy5 n PHE 203 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 2fy5 s ARG 204 N -1.29 3.27 -0.50 -1.08 0.52 -1.26 -5.02 118.95 113.59 2fy5 s ARG 204 Ca 0.00 -0.40 -0.18 0.00 -0.52 0.00 0.00 55.73 54.64 2fy5 s ARG 204 Cb 0.00 -3.96 0.07 0.00 0.52 0.00 0.00 34.95 31.58 2fy5 s ARG 204 CO 0.00 -1.03 0.55 -0.98 0.02 0.00 0.00 175.30 173.86 2fy5 s ARG 205 N 2.84 3.07 0.14 3.54 1.70 -1.26 -1.53 118.95 127.44 2fy5 s ARG 205 Ca 0.22 -1.09 -0.05 0.00 -0.47 0.00 0.00 55.73 54.34 2fy5 s ARG 205 Cb -0.14 -4.12 -0.04 0.00 -0.57 0.00 0.00 34.95 30.07 2fy5 s ARG 205 CO 0.19 -1.18 -0.02 1.28 -1.08 0.00 0.00 175.30 174.50 2fy5 n LEU 206 N 5.83 -0.98 -4.82 -1.89 4.77 -0.67 -4.89 117.00 114.35 2fy5 n LEU 206 Ca -0.09 0.20 -0.33 0.00 -0.03 0.00 0.00 56.01 55.77 2fy5 n LEU 206 Cb 0.44 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 2fy5 n LEU 206 CO 0.52 -1.32 0.69 -0.94 -1.33 0.00 0.00 177.39 175.01 2fy5 s SER 207 N -0.29 6.41 0.60 -1.43 1.04 -1.26 -4.87 113.70 113.90 2fy5 s SER 207 Ca 0.17 1.72 0.33 0.00 0.48 0.00 0.00 55.95 58.64 2fy5 s SER 207 Cb -0.16 -2.53 1.93 0.00 0.10 0.00 0.00 66.02 65.37 2fy5 s SER 207 CO 0.19 -0.74 2.26 -0.08 0.98 0.00 0.00 173.24 175.85 2fy5 h GLU 208 N 1.06 0.00 0.00 4.02 4.81 -1.90 0.10 114.58 122.67 2fy5 h GLU 208 Ca -0.48 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.52 2fy5 h GLU 208 Cb 1.20 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.59 2fy5 h GLU 208 CO 0.60 0.01 -0.97 0.78 -0.73 0.00 0.00 179.01 178.70 2fy5 h GLY 209 N 0.13 0.54 1.91 1.92 0.00 -1.96 -2.69 103.07 102.91 2fy5 h GLY 209 Ca -0.00 -0.94 -0.21 0.00 0.00 0.00 0.00 47.33 46.17 2fy5 h GLY 209 CO 0.00 0.83 -1.05 -0.55 0.00 0.00 0.00 176.54 175.78 2fy5 h ASP 210 N 0.27 0.00 -0.69 0.19 3.32 -1.51 -2.66 116.42 115.34 2fy5 h ASP 210 Ca -0.09 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.89 2fy5 h ASP 210 Cb 1.61 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.13 2fy5 h ASP 210 CO 0.17 0.99 0.15 -0.07 -1.72 0.00 0.00 179.24 178.76 2fy5 h LEU 211 N 0.00 1.06 0.28 1.55 3.38 -0.93 0.12 115.31 120.78 2fy5 h LEU 211 Ca -0.03 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 2fy5 h LEU 211 Cb 1.78 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 2fy5 h LEU 211 CO 0.12 1.03 -0.20 0.15 0.09 0.00 0.00 178.44 179.63 2fy5 h PHE 212 N 1.05 -0.53 -0.74 1.13 3.57 -1.44 -1.10 116.94 118.89 2fy5 h PHE 212 Ca 0.21 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.82 2fy5 h PHE 212 Cb 0.40 0.19 -0.08 0.00 2.79 0.00 0.00 35.95 39.25 2fy5 h PHE 212 CO 0.03 -0.31 0.35 1.15 -2.23 0.00 0.00 178.31 177.30 2fy5 h THR 213 N -0.48 0.79 -0.47 4.41 2.02 -1.18 -1.22 112.91 116.78 2fy5 h THR 213 Ca -0.02 -0.19 -0.08 0.00 0.77 0.00 0.00 66.41 66.89 2fy5 h THR 213 Cb 0.42 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 2fy5 h THR 213 CO 0.00 0.10 -0.02 1.56 0.37 0.00 0.00 175.52 177.54 2fy5 h GLN 214 N 0.57 0.80 -0.34 6.66 1.08 -0.69 -2.89 115.11 120.30 2fy5 h GLN 214 Ca 0.38 -0.23 -0.08 0.00 -1.45 0.00 0.00 58.65 57.27 2fy5 h GLN 214 Cb 0.46 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 2fy5 h GLN 214 CO -0.31 0.82 -0.14 -0.07 -0.95 0.00 0.00 178.83 178.18 2fy5 h LEU 215 N 0.74 0.58 -1.06 1.46 3.38 -0.03 -1.99 115.31 118.39 2fy5 h LEU 215 Ca 0.14 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2fy5 h LEU 215 Cb 0.48 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2fy5 h LEU 215 CO 0.02 0.75 0.11 0.03 0.09 0.00 0.00 178.44 179.44 2fy5 h ARG 216 N 0.54 0.78 -0.52 1.13 3.08 -1.19 -0.91 114.38 117.29 2fy5 h ARG 216 Ca 0.09 -0.16 -0.10 0.00 0.07 0.00 0.00 59.98 59.89 2fy5 h ARG 216 Cb 0.56 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 2fy5 h ARG 216 CO 0.04 0.72 -0.05 0.87 -1.07 0.00 0.00 179.97 180.47 2fy5 h LYS 217 N 0.75 0.95 0.07 0.04 1.57 -1.30 -1.77 116.57 116.87 2fy5 h LYS 217 Ca 0.16 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.61 2fy5 h LYS 217 Cb 0.30 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2fy5 h LYS 217 CO 0.00 0.99 -0.03 0.82 -0.57 0.00 0.00 179.45 180.66 2fy5 h ILE 218 N 0.82 1.09 -0.59 1.86 2.04 -0.87 -0.74 117.51 121.11 2fy5 h ILE 218 Ca 0.14 -0.55 0.10 0.00 1.00 0.00 0.00 64.86 65.56 2fy5 h ILE 218 Cb 0.59 1.45 -0.08 0.00 -0.74 0.00 0.00 36.82 38.05 2fy5 h ILE 218 CO 0.04 0.14 0.15 0.58 0.00 0.00 0.00 178.15 179.06 2fy5 h VAL 219 N -0.34 0.68 -0.09 1.67 2.07 -1.15 0.32 116.25 119.41 2fy5 h VAL 219 Ca -0.01 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 2fy5 h VAL 219 Cb 0.29 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 2fy5 h VAL 219 CO 0.01 0.05 0.05 0.50 0.02 0.00 0.00 177.57 178.21 2fy5 h LYS 220 N 0.30 0.13 -0.75 1.57 3.64 -1.19 -3.03 116.57 117.24 2fy5 h LYS 220 Ca 0.31 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.63 2fy5 h LYS 220 Cb 0.43 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 2fy5 h LYS 220 CO -0.37 0.15 0.30 0.52 -2.27 0.00 0.00 179.45 177.78 2fy5 h MET 221 N 0.07 1.12 0.00 1.90 2.86 -0.37 -1.90 114.93 118.61 2fy5 h MET 221 Ca 0.03 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 2fy5 h MET 221 Cb 0.06 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.54 2fy5 h MET 221 CO -0.01 0.92 0.00 0.00 1.06 0.00 0.00 176.91 178.89 2fy5 n ALA 222 N -2.42 1.95 -0.82 6.32 0.00 0.11 -1.91 120.51 123.73 2fy5 n ALA 222 Ca 0.06 -0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.51 2fy5 n ALA 222 Cb 0.18 -1.19 0.25 0.00 0.00 0.00 0.00 19.45 18.69 2fy5 n ALA 222 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2fy5 n SER 223 N -0.98 3.78 -4.53 0.00 7.64 -0.71 -4.83 113.62 113.98 2fy5 n SER 223 Ca 0.09 -2.81 -0.40 0.00 1.01 0.00 0.00 58.87 56.76 2fy5 n SER 223 Cb 0.04 -0.49 -0.10 0.00 -1.01 0.00 0.00 64.21 62.65 2fy5 n SER 223 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2fy5 s ASN 224 N -1.70 6.07 0.22 6.43 3.84 -0.80 -4.99 114.94 124.01 2fy5 s ASN 224 Ca 0.39 -0.43 -0.08 0.00 0.21 0.00 0.00 52.86 52.95 2fy5 s ASN 224 Cb 0.30 -2.14 0.18 0.00 -0.55 0.00 0.00 41.25 39.04 2fy5 s ASN 224 CO 0.11 -0.25 1.83 0.00 -2.79 0.00 0.00 177.10 176.00 2fy5 h ALA 225 N 8.49 1.07 0.00 1.71 0.00 -1.92 -2.22 119.26 126.39 2fy5 h ALA 225 Ca -0.31 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2fy5 h ALA 225 Cb 1.16 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2fy5 h ALA 225 CO 0.64 0.61 0.00 0.00 0.00 0.00 0.00 179.25 180.49 2fy5 h ALA 226 N 1.23 1.00 0.00 0.00 0.00 -1.99 -3.13 119.26 116.37 2fy5 h ALA 226 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2fy5 h ALA 226 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2fy5 h ALA 226 CO -0.04 0.00 -1.53 0.00 0.00 0.00 0.00 179.25 177.68 2fy5 n ALA 227 N -1.87 2.80 -1.69 0.00 0.00 -1.01 -5.01 120.51 113.74 2fy5 n ALA 227 Ca 0.01 -0.37 -0.55 0.00 0.00 0.00 0.00 53.44 52.52 2fy5 n ALA 227 Cb 0.22 -0.53 -0.07 0.00 0.00 0.00 0.00 19.45 19.07 2fy5 n ALA 227 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2fy5 n ARG 228 N -1.92 1.31 -3.59 0.00 0.63 -0.87 -4.97 116.66 107.25 2fy5 n ARG 228 Ca -0.02 0.48 -0.20 0.00 -0.92 0.00 0.00 57.85 57.20 2fy5 n ARG 228 Cb 0.37 -2.18 -0.02 0.00 0.45 0.00 0.00 32.46 31.08 2fy5 n ARG 228 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2fy5 s LEU 229 N 3.23 3.83 0.64 6.15 1.43 -1.26 -5.07 118.68 127.62 2fy5 s LEU 229 Ca 0.96 -0.31 -0.18 0.00 -1.03 0.00 0.00 54.13 53.57 2fy5 s LEU 229 Cb -1.00 -2.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.66 2fy5 s LEU 229 CO 0.61 -0.41 1.29 -2.84 0.23 0.00 0.00 176.35 175.23 2fy5 s PRO 230 N -4.11 2.62 -1.02 1.29 0.02 -1.26 -4.88 135.00 127.66 2fy5 s PRO 230 Ca 0.44 2.04 -0.19 0.00 0.02 0.00 0.00 61.00 63.31 2fy5 s PRO 230 Cb -0.08 -1.87 -0.09 0.00 0.02 0.00 0.00 34.50 32.49 2fy5 s PRO 230 CO 0.29 -1.54 2.03 -0.35 -0.33 0.00 0.00 177.00 177.10 2fy5 n PRO 231 N -1.84 1.98 -0.13 5.54 -0.04 -1.26 -4.77 135.00 134.47 2fy5 n PRO 231 Ca 0.15 -2.13 0.13 0.00 -0.04 0.00 0.00 63.50 61.61 2fy5 n PRO 231 Cb 0.48 -3.07 0.49 0.00 -0.04 0.00 0.00 33.50 31.36 2fy5 n PRO 231 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2fy5 h ILE 232 N 4.37 0.85 -0.99 0.52 1.08 -1.90 -1.69 117.51 119.76 2fy5 h ILE 232 Ca 0.47 -0.15 0.20 0.00 -0.39 0.00 0.00 64.86 64.98 2fy5 h ILE 232 Cb 0.67 0.38 -0.11 0.00 -3.07 0.00 0.00 36.82 34.69 2fy5 h ILE 232 CO 1.91 0.08 0.58 1.23 -0.69 0.00 0.00 178.15 181.27 2fy5 h GLY 233 N 0.43 1.76 -0.74 5.37 0.00 -1.76 0.28 103.07 108.43 2fy5 h GLY 233 Ca 0.33 -0.34 0.37 0.00 0.00 0.00 0.00 47.33 47.69 2fy5 h GLY 233 CO -0.10 -0.10 0.75 -2.00 0.00 0.00 0.00 176.54 175.09 2fy5 h LEU 234 N 0.71 0.34 -2.18 3.11 5.85 -1.46 0.43 115.31 122.11 2fy5 h LEU 234 Ca 0.58 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 59.43 2fy5 h LEU 234 Cb 0.93 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 2fy5 h LEU 234 CO -0.40 -0.11 -0.02 -0.07 -0.34 0.00 0.00 178.44 177.50 2fy5 h LEU 235 N 0.20 0.00 -0.11 2.25 3.38 -1.11 -1.95 115.31 117.98 2fy5 h LEU 235 Ca 0.74 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.71 2fy5 h LEU 235 Cb 2.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.88 2fy5 h LEU 235 CO -0.42 0.02 -0.04 0.35 0.09 0.00 0.00 178.44 178.44 2fy5 n THR 236 N -4.14 0.00 0.35 0.22 -2.24 0.15 -3.31 114.28 105.31 2fy5 n THR 236 Ca -0.03 -0.03 0.10 0.00 -2.27 0.00 0.00 64.05 61.83 2fy5 n THR 236 Cb 0.11 -0.33 0.27 0.00 -2.10 0.00 0.00 70.33 68.28 2fy5 n THR 236 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2fy5 n SER 237 N -1.07 3.03 -4.97 3.42 3.41 -0.73 -4.51 113.62 112.20 2fy5 n SER 237 Ca 0.16 -1.95 -0.20 0.00 -0.26 0.00 0.00 58.87 56.62 2fy5 n SER 237 Cb 0.23 -0.31 -0.01 0.00 -0.26 0.00 0.00 64.21 63.86 2fy5 n SER 237 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2fy5 s ASP 238 N -1.24 6.03 0.33 4.04 -1.08 -1.21 -4.69 116.67 118.85 2fy5 s ASP 238 Ca 0.38 -0.12 -0.24 0.00 -0.52 0.00 0.00 52.55 52.05 2fy5 s ASP 238 Cb 0.21 -1.45 -0.15 0.00 -1.46 0.00 0.00 42.92 40.06 2fy5 s ASP 238 CO 0.28 -0.27 0.39 0.61 0.52 0.00 0.00 175.17 176.70 2fy5 n GLY 239 N -1.51 -1.98 0.31 2.66 0.00 -1.26 -4.53 105.19 98.88 2fy5 n GLY 239 Ca -0.04 0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.21 2fy5 n GLY 239 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2fy5 h ARG 240 N 0.76 0.20 -0.03 1.61 2.47 -1.54 -0.03 114.38 117.81 2fy5 h ARG 240 Ca -0.35 -0.01 -0.22 0.00 -1.26 0.00 0.00 59.98 58.14 2fy5 h ARG 240 Cb 1.43 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.70 2fy5 h ARG 240 CO 0.52 0.13 -0.88 0.77 0.56 0.00 0.00 179.97 181.08 2fy5 h SER 241 N 0.21 0.57 -0.37 7.04 0.02 -1.77 -1.94 113.55 117.30 2fy5 h SER 241 Ca 0.13 -0.43 -0.14 0.00 -0.84 0.00 0.00 61.79 60.51 2fy5 h SER 241 Cb 0.25 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 2fy5 h SER 241 CO -0.02 1.21 -0.32 -0.33 -1.14 0.00 0.00 176.83 176.22 2fy5 h GLU 242 N 0.28 0.88 -0.12 3.45 3.07 -1.64 -2.47 114.58 118.03 2fy5 h GLU 242 Ca -0.07 -0.45 -0.13 0.00 -0.50 0.00 0.00 59.36 58.22 2fy5 h GLU 242 Cb 1.50 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.40 2fy5 h GLU 242 CO 0.15 1.09 -0.50 2.35 -1.40 0.00 0.00 179.01 180.71 2fy5 h TRP 243 N 0.68 0.38 -0.76 4.33 -0.00 -1.07 -1.29 115.95 118.21 2fy5 h TRP 243 Ca 0.07 -0.12 -0.05 0.00 -0.00 0.00 0.00 58.89 58.78 2fy5 h TRP 243 Cb 0.91 -0.08 -0.03 0.00 -0.00 0.00 0.00 29.16 29.96 2fy5 h TRP 243 CO 0.06 0.75 0.28 0.00 -0.00 0.00 0.00 178.44 179.53 2fy5 h ALA 244 N 1.23 1.05 -0.12 2.65 0.00 -1.21 -0.31 119.26 122.54 2fy5 h ALA 244 Ca 0.01 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.56 2fy5 h ALA 244 Cb 0.97 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.47 2fy5 h ALA 244 CO 0.08 0.66 -0.54 1.49 0.00 0.00 0.00 179.25 180.94 2fy5 h GLU 245 N 1.12 0.58 -0.25 0.00 4.81 -1.20 -2.31 114.58 117.33 2fy5 h GLU 245 Ca 0.25 -0.46 -0.11 0.00 -0.13 0.00 0.00 59.36 58.91 2fy5 h GLU 245 Cb 0.25 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2fy5 h GLU 245 CO -0.02 1.09 -0.29 0.00 -0.73 0.00 0.00 179.01 179.06 2fy5 h ALA 246 N 0.50 1.02 -0.45 2.92 0.00 -1.17 -2.48 119.26 119.60 2fy5 h ALA 246 Ca -0.03 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 2fy5 h ALA 246 Cb 1.18 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2fy5 h ALA 246 CO 0.11 0.59 -0.04 -0.09 0.00 0.00 0.00 179.25 179.82 2fy5 h ARG 247 N 0.45 0.75 -0.35 0.00 2.43 -1.05 -1.76 114.38 114.85 2fy5 h ARG 247 Ca 0.06 -0.22 0.02 0.00 -0.81 0.00 0.00 59.98 59.03 2fy5 h ARG 247 Cb 0.74 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 2fy5 h ARG 247 CO 0.06 0.79 0.23 1.15 -1.51 0.00 0.00 179.97 180.69 2fy5 h THR 248 N 0.70 1.04 0.04 0.20 2.02 -0.96 0.14 112.91 116.09 2fy5 h THR 248 Ca 0.13 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 2fy5 h THR 248 Cb 0.49 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 2fy5 h THR 248 CO 0.03 0.07 -0.02 0.58 0.37 0.00 0.00 175.52 176.55 2fy5 h VAL 249 N 0.40 1.32 -0.51 3.16 2.07 -1.07 -3.28 116.25 118.35 2fy5 h VAL 249 Ca 0.14 -1.25 0.09 0.00 0.82 0.00 0.00 66.70 66.50 2fy5 h VAL 249 Cb 0.06 2.14 -0.07 0.00 -1.52 0.00 0.00 31.29 31.90 2fy5 h VAL 249 CO -0.03 0.31 0.10 -0.07 0.02 0.00 0.00 177.57 177.90 2fy5 h LEU 250 N -0.61 -0.00 -1.24 2.57 3.38 -0.60 -1.93 115.31 116.87 2fy5 h LEU 250 Ca -0.01 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2fy5 h LEU 250 Cb 0.55 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2fy5 h LEU 250 CO 0.01 0.02 0.36 0.58 0.09 0.00 0.00 178.44 179.50 2fy5 h VAL 251 N 0.24 0.00 -0.22 1.22 2.07 -1.06 -1.92 116.25 116.57 2fy5 h VAL 251 Ca 0.26 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.73 2fy5 h VAL 251 Cb 0.35 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2fy5 h VAL 251 CO -0.33 0.00 -0.07 0.11 0.02 0.00 0.00 177.57 177.29 2fy5 h LYS 252 N 0.00 0.35 -5.85 1.57 1.57 -1.45 -3.43 116.57 109.33 2fy5 h LYS 252 Ca 0.00 -0.08 -0.64 0.00 -1.87 0.00 0.00 60.65 58.07 2fy5 h LYS 252 Cb 0.71 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.91 2fy5 h LYS 252 CO 0.00 0.44 -0.33 0.34 -0.57 0.00 0.00 179.45 179.33 2fy5 s ASP 253 N -6.82 6.62 0.19 0.86 -1.08 -0.72 -5.01 116.67 110.71 2fy5 s ASP 253 Ca -0.06 0.74 -0.09 0.00 -0.52 0.00 0.00 52.55 52.62 2fy5 s ASP 253 Cb 0.15 -2.17 0.11 0.00 -1.46 0.00 0.00 42.92 39.55 2fy5 s ASP 253 CO 0.74 0.36 1.70 -1.28 0.52 0.00 0.00 175.17 177.21 2fy5 h SER 254 N 4.79 1.07 -0.46 -0.34 0.87 -1.87 -2.49 113.55 115.12 2fy5 h SER 254 Ca -0.53 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 59.78 2fy5 h SER 254 Cb 1.22 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.88 2fy5 h SER 254 CO 0.60 1.04 0.27 0.74 -0.53 0.00 0.00 176.83 178.95 2fy5 h THR 255 N 1.06 1.15 0.07 2.23 2.02 -1.94 -2.31 112.91 115.18 2fy5 h THR 255 Ca 0.21 -0.36 -0.28 0.00 0.77 0.00 0.00 66.41 66.75 2fy5 h THR 255 Cb 0.40 0.50 0.03 0.00 -1.74 0.00 0.00 68.15 67.34 2fy5 h THR 255 CO 0.01 0.16 -1.15 0.78 0.37 0.00 0.00 175.52 175.69 2fy5 h ASN 256 N 0.66 0.89 -0.52 4.18 2.35 -1.77 -2.92 115.58 118.45 2fy5 h ASN 256 Ca 0.17 -0.79 0.10 0.00 -0.55 0.00 0.00 56.30 55.24 2fy5 h ASN 256 Cb 0.01 -0.28 -0.10 0.00 0.05 0.00 0.00 38.32 38.01 2fy5 h ASN 256 CO -0.03 1.58 -0.09 0.03 -1.65 0.00 0.00 177.43 177.26 2fy5 h ARG 257 N 0.31 0.03 -0.11 0.81 3.08 -1.13 -0.33 114.38 117.03 2fy5 h ARG 257 Ca -0.16 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.93 2fy5 h ARG 257 Cb 1.82 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 31.80 2fy5 h ARG 257 CO 0.22 0.02 -0.28 -0.44 -1.07 0.00 0.00 179.97 178.43 2fy5 h ASP 258 N 0.03 -0.85 -0.46 7.04 5.19 -1.41 0.21 116.42 126.17 2fy5 h ASP 258 Ca 0.26 0.13 -0.05 0.00 -0.62 0.00 0.00 57.03 56.75 2fy5 h ASP 258 Cb 0.39 0.36 -0.02 0.00 0.18 0.00 0.00 39.33 40.25 2fy5 h ASP 258 CO -0.51 -0.33 0.11 0.28 -3.12 0.00 0.00 179.24 175.67 2fy5 h SER 259 N -0.36 0.70 -0.45 6.45 0.02 -1.28 -0.55 113.55 118.08 2fy5 h SER 259 Ca 0.09 -0.24 0.05 0.00 -0.84 0.00 0.00 61.79 60.85 2fy5 h SER 259 Cb 0.50 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.81 2fy5 h SER 259 CO -0.31 0.76 0.20 -0.07 -1.14 0.00 0.00 176.83 176.26 2fy5 h LEU 260 N 0.61 0.26 -0.89 5.07 3.38 -0.71 0.83 115.31 123.87 2fy5 h LEU 260 Ca 0.14 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.20 2fy5 h LEU 260 Cb 0.33 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 2fy5 h LEU 260 CO 0.00 0.19 0.56 -0.78 0.09 0.00 0.00 178.44 178.50 2fy5 h ASP 261 N 0.40 0.90 -0.30 -0.43 3.58 -0.20 0.22 116.42 120.58 2fy5 h ASP 261 Ca 0.20 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.66 2fy5 h ASP 261 Cb 0.15 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 2fy5 h ASP 261 CO -0.17 0.59 0.17 0.24 -2.88 0.00 0.00 179.24 177.18 2fy5 h MET 262 N 1.04 0.42 -0.61 0.28 2.86 0.47 -0.56 114.93 118.83 2fy5 h MET 262 Ca 0.38 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.94 2fy5 h MET 262 Cb 0.12 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 2fy5 h MET 262 CO -0.16 0.36 0.27 0.82 1.06 0.00 0.00 176.91 179.26 2fy5 h ILE 263 N 0.37 1.22 -0.29 -1.22 2.04 -0.10 -2.40 117.51 117.13 2fy5 h ILE 263 Ca 0.11 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 2fy5 h ILE 263 Cb 0.06 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 2fy5 h ILE 263 CO -0.02 0.26 0.15 -0.33 0.00 0.00 0.00 178.15 178.21 2fy5 h GLU 264 N 0.85 0.40 -0.70 2.37 5.08 -0.25 -2.99 114.58 119.34 2fy5 h GLU 264 Ca 0.21 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2fy5 h GLU 264 Cb 0.16 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2fy5 h GLU 264 CO -0.02 0.31 0.00 0.54 -1.00 0.00 0.00 179.01 178.84 2fy5 n ARG 265 N -4.45 3.27 -1.96 2.33 1.74 -0.25 -4.77 116.66 112.58 2fy5 n ARG 265 Ca 0.01 -2.79 -0.29 0.00 -0.77 0.00 0.00 57.85 54.02 2fy5 n ARG 265 Cb 0.11 -1.74 0.10 0.00 -1.02 0.00 0.00 32.46 29.90 2fy5 n ARG 265 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2fy5 h ILE 267 N -1.03 1.44 -1.65 0.00 2.04 -1.37 -3.47 117.51 113.47 2fy5 h ILE 267 Ca -0.46 -2.01 0.05 0.00 1.00 0.00 0.00 64.86 63.45 2fy5 h ILE 267 Cb 1.32 2.58 -0.01 0.00 -0.74 0.00 0.00 36.82 39.97 2fy5 h ILE 267 CO 0.62 0.58 0.16 0.00 0.00 0.00 0.00 178.15 179.51 2fy5 s LEU 269 N 0.00 2.81 -0.26 0.00 1.43 -0.88 -2.31 118.68 119.47 2fy5 s LEU 269 Ca 0.06 -1.05 -0.02 0.00 -1.03 0.00 0.00 54.13 52.08 2fy5 s LEU 269 Cb -0.00 -1.19 0.08 0.00 0.03 0.00 0.00 46.19 45.11 2fy5 s LEU 269 CO 0.01 -0.14 0.08 -0.69 0.23 0.00 0.00 176.35 175.83 2fy5 s VAL 270 N -2.54 0.56 -0.32 -1.59 1.01 -0.07 -2.03 120.40 115.42 2fy5 s VAL 270 Ca 0.32 -0.93 -0.19 0.00 0.00 0.00 0.00 61.98 61.19 2fy5 s VAL 270 Cb -0.01 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 2fy5 s VAL 270 CO 0.17 -0.49 0.54 0.00 0.00 0.00 0.00 175.10 175.33 2fy5 n LEU 272 N 5.75 5.61 -4.70 0.00 4.77 -0.25 -0.06 117.00 128.12 2fy5 n LEU 272 Ca -0.04 -4.73 -0.37 0.00 -0.03 0.00 0.00 56.01 50.84 2fy5 n LEU 272 Cb 0.49 -1.53 0.06 0.00 -2.33 0.00 0.00 43.42 40.11 2fy5 n LEU 272 CO 0.44 1.09 0.80 0.47 -1.33 0.00 0.00 177.39 178.86 2fy5 n ASP 273 N 4.11 1.75 -4.86 -1.43 8.00 -1.19 -4.56 116.55 118.38 2fy5 n ASP 273 Ca 0.32 0.84 -0.30 0.00 0.71 0.00 0.00 54.79 56.36 2fy5 n ASP 273 Cb 0.40 -1.51 0.04 0.00 -0.02 0.00 0.00 41.12 40.04 2fy5 n ASP 273 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2fy5 s ALA 274 N -1.41 2.81 0.18 2.24 0.00 -1.26 -0.83 121.76 123.48 2fy5 s ALA 274 Ca 0.79 -0.19 -0.33 0.00 0.00 0.00 0.00 51.96 52.23 2fy5 s ALA 274 Cb -0.40 -3.07 -0.13 0.00 0.00 0.00 0.00 23.12 19.52 2fy5 s ALA 274 CO 0.43 -1.13 1.63 -2.30 0.00 0.00 0.00 175.76 174.40 2fy5 n PRO 275 N -3.03 2.38 -2.17 0.00 -0.02 -1.26 -4.54 135.00 126.37 2fy5 n PRO 275 Ca 0.07 0.86 -0.33 0.00 -2.02 0.00 0.00 63.50 62.07 2fy5 n PRO 275 Cb 0.56 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 2fy5 n PRO 275 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2fy5 s GLY 276 N 1.05 2.27 -0.08 -1.23 0.00 -1.26 -5.00 107.32 103.07 2fy5 s GLY 276 Ca 0.78 0.49 -0.06 0.00 0.00 0.00 0.00 44.72 45.93 2fy5 s GLY 276 CO 0.36 0.82 0.22 -1.33 0.00 0.00 0.00 173.10 173.16 2fy5 h GLY 277 N 0.75 -0.16 -0.02 0.20 0.00 -1.99 -3.48 103.07 98.37 2fy5 h GLY 277 Ca -0.48 0.06 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 2fy5 h GLY 277 CO 0.58 -0.06 -0.00 3.33 0.00 0.00 0.00 176.54 180.39 2fy5 n VAL 278 N -4.87 0.00 -2.87 4.60 0.24 -1.26 -4.97 118.33 109.20 2fy5 n VAL 278 Ca -0.02 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.95 2fy5 n VAL 278 Cb 0.08 -0.01 -0.07 0.00 -1.47 0.00 0.00 33.84 32.37 2fy5 n VAL 278 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2fy5 s GLU 279 N -1.95 4.18 -0.17 7.34 2.12 -1.26 -4.97 118.70 124.00 2fy5 s GLU 279 Ca 0.01 1.03 -0.05 0.00 0.36 0.00 0.00 54.97 56.32 2fy5 s GLU 279 Cb -0.00 -2.22 -0.14 0.00 0.26 0.00 0.00 34.13 32.02 2fy5 s GLU 279 CO 0.01 -0.00 3.29 1.28 -0.54 0.00 0.00 175.26 179.29 2fy5 n LEU 280 N -0.61 5.70 -4.79 2.70 4.77 -1.26 -4.66 117.00 118.84 2fy5 n LEU 280 Ca 0.06 -3.49 -0.30 0.00 -0.03 0.00 0.00 56.01 52.25 2fy5 n LEU 280 Cb 0.54 -1.35 0.09 0.00 -2.33 0.00 0.00 43.42 40.37 2fy5 n LEU 280 CO 0.38 1.70 0.70 -0.94 -1.33 0.00 0.00 177.39 177.90 2fy5 s SER 281 N 1.39 4.57 0.25 -1.43 1.04 -1.26 -4.77 113.70 113.48 2fy5 s SER 281 Ca 0.63 1.45 -0.04 0.00 0.48 0.00 0.00 55.95 58.46 2fy5 s SER 281 Cb 0.34 -2.20 0.34 0.00 0.10 0.00 0.00 66.02 64.60 2fy5 s SER 281 CO -0.08 -1.94 1.88 0.44 0.98 0.00 0.00 173.24 174.52 2fy5 h ASP 282 N -1.07 0.98 -0.24 7.02 5.19 -1.97 0.12 116.42 126.46 2fy5 h ASP 282 Ca -0.46 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 55.94 2fy5 h ASP 282 Cb 1.25 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.54 2fy5 h ASP 282 CO 0.57 0.65 0.09 0.74 -3.12 0.00 0.00 179.24 178.17 2fy5 h THR 283 N 1.13 1.17 -0.27 0.35 2.02 -1.91 -1.63 112.91 113.78 2fy5 h THR 283 Ca 0.39 -0.53 -0.13 0.00 0.77 0.00 0.00 66.41 66.91 2fy5 h THR 283 Cb 0.10 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 2fy5 h THR 283 CO -0.15 0.18 -0.38 0.45 0.37 0.00 0.00 175.52 175.99 2fy5 h HIS 284 N 0.23 0.73 -0.51 3.16 3.86 -1.70 -0.84 115.15 120.09 2fy5 h HIS 284 Ca 0.08 -0.20 -0.09 0.00 -1.16 0.00 0.00 60.37 59.00 2fy5 h HIS 284 Cb 0.19 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 2fy5 h HIS 284 CO -0.01 0.90 -0.02 0.00 0.86 0.00 0.00 177.93 179.66 2fy5 h ARG 285 N 0.51 0.88 -0.42 2.45 3.08 -0.69 -1.70 114.38 118.49 2fy5 h ARG 285 Ca 0.05 -0.26 -0.12 0.00 0.07 0.00 0.00 59.98 59.72 2fy5 h ARG 285 Cb 0.88 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 2fy5 h ARG 285 CO 0.08 0.89 -0.19 0.00 -1.07 0.00 0.00 179.97 179.67 2fy5 h ALA 286 N 1.16 0.60 -0.45 0.04 0.00 -1.04 -2.30 119.26 117.27 2fy5 h ALA 286 Ca 0.15 -0.37 0.06 0.00 0.00 0.00 0.00 54.91 54.75 2fy5 h ALA 286 Cb 0.52 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 2fy5 h ALA 286 CO 0.03 0.56 0.15 -0.07 0.00 0.00 0.00 179.25 179.91 2fy5 h LEU 287 N 0.71 0.13 -1.54 0.00 3.38 -0.77 0.18 115.31 117.40 2fy5 h LEU 287 Ca 0.10 0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.21 2fy5 h LEU 287 Cb 0.76 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 2fy5 h LEU 287 CO 0.06 0.11 0.43 -0.61 0.09 0.00 0.00 178.44 178.52 2fy5 h GLN 288 N 0.31 0.51 0.10 1.13 4.15 -0.98 -1.46 115.11 118.87 2fy5 h GLN 288 Ca 0.21 -0.03 -0.28 0.00 0.77 0.00 0.00 58.65 59.32 2fy5 h GLN 288 Cb 0.23 -0.12 0.03 0.00 0.21 0.00 0.00 27.48 27.83 2fy5 h GLN 288 CO -0.23 0.34 -1.15 -0.07 -1.93 0.00 0.00 178.83 175.78 2fy5 h LEU 289 N 0.53 0.85 0.61 -2.39 -0.00 -0.43 -0.79 115.31 113.68 2fy5 h LEU 289 Ca 0.29 -0.81 -0.03 0.00 -0.00 0.00 0.00 57.88 57.33 2fy5 h LEU 289 Cb 0.46 -0.27 0.01 0.00 -0.00 0.00 0.00 40.66 40.86 2fy5 h LEU 289 CO -0.09 1.57 -0.29 -0.07 -0.00 0.00 0.00 178.44 179.56 2fy5 h LEU 290 N 0.24 -0.69 -0.73 1.67 3.38 0.13 -3.40 115.31 115.91 2fy5 h LEU 290 Ca -0.17 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2fy5 h LEU 290 Cb 1.83 0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.76 2fy5 h LEU 290 CO 0.22 -0.38 0.00 0.00 0.09 0.00 0.00 178.44 178.37 2fy5 n HIS 291 N -5.38 0.00 -0.73 1.13 1.44 -0.63 -4.27 115.22 106.78 2fy5 n HIS 291 Ca -0.12 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.59 2fy5 n HIS 291 Cb 0.35 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.46 2fy5 n HIS 291 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2fy5 n GLY 292 N 0.11 1.10 1.46 -1.39 0.00 -0.30 -3.51 105.19 102.66 2fy5 n GLY 292 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2fy5 n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fy5 n GLY 293 N -2.00 0.70 0.00 -0.02 0.00 -1.26 -1.25 105.19 101.36 2fy5 n GLY 293 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2fy5 n GLY 293 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fy5 n GLY 294 N -2.54 0.71 0.28 -0.02 0.00 -1.23 -4.37 105.19 98.01 2fy5 n GLY 294 Ca 0.00 -2.01 0.19 0.00 0.00 0.00 0.00 46.02 44.19 2fy5 n GLY 294 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2fy5 h TYR 295 N 0.00 0.00 -0.01 1.61 3.20 -1.88 0.85 116.97 120.74 2fy5 h TYR 295 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2fy5 h TYR 295 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 2fy5 h TYR 295 CO 0.00 0.00 -0.08 -1.13 -1.64 0.00 0.00 178.16 175.31 2fy5 n SER 296 N -2.87 1.12 0.00 -2.11 3.41 -1.26 -4.68 113.62 107.23 2fy5 n SER 296 Ca -0.01 -1.19 0.00 0.00 -0.26 0.00 0.00 58.87 57.41 2fy5 n SER 296 Cb 0.14 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 2fy5 n SER 296 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2fy5 n LYS 297 N -0.28 0.00 -0.08 4.33 4.76 -0.94 -4.99 118.16 120.96 2fy5 n LYS 297 Ca 0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 2fy5 n LYS 297 Cb 0.32 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.51 2fy5 n LYS 297 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2fy5 n ASN 298 N -0.84 0.00 0.25 4.39 3.02 -0.38 -4.67 115.26 117.03 2fy5 n ASN 298 Ca 0.00 -1.14 0.16 0.00 -0.03 0.00 0.00 54.58 53.57 2fy5 n ASN 298 Cb 0.00 -0.03 0.87 0.00 -0.61 0.00 0.00 39.78 40.01 2fy5 n ASN 298 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2fy5 h GLY 299 N 0.00 0.00 0.23 7.41 0.00 -0.70 -2.17 103.07 107.83 2fy5 h GLY 299 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2fy5 h GLY 299 CO 0.00 0.00 -1.35 0.00 0.00 0.00 0.00 176.54 175.19 2fy5 n ALA 300 N -2.34 3.59 -0.97 3.60 0.00 -1.26 -4.49 120.51 118.64 2fy5 n ALA 300 Ca -0.01 -0.50 -0.23 0.00 0.00 0.00 0.00 53.44 52.71 2fy5 n ALA 300 Cb 0.20 -0.84 -0.07 0.00 0.00 0.00 0.00 19.45 18.73 2fy5 n ALA 300 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2fy5 n ASN 301 N -1.94 5.98 -3.73 0.00 5.15 -0.82 -4.17 115.26 115.73 2fy5 n ASN 301 Ca 0.00 -2.40 -0.08 0.00 -0.60 0.00 0.00 54.58 51.51 2fy5 n ASN 301 Cb 0.45 -1.28 -0.02 0.00 -0.53 0.00 0.00 39.78 38.40 2fy5 n ASN 301 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2fy5 s ARG 302 N 2.12 1.80 -0.49 1.20 1.81 -1.26 -4.88 118.95 119.25 2fy5 s ARG 302 Ca 0.56 -1.15 0.07 0.00 -1.72 0.00 0.00 55.73 53.48 2fy5 s ARG 302 Cb 0.20 0.57 0.19 0.00 -0.45 0.00 0.00 34.95 35.45 2fy5 s ARG 302 CO -0.03 -0.81 0.66 -0.46 -0.68 0.00 0.00 175.30 173.98 2fy5 s TRP 303 N -3.66 -1.22 0.61 -0.53 -0.11 -1.26 -4.25 118.94 108.52 2fy5 s TRP 303 Ca 0.15 -0.77 0.30 0.00 1.22 0.00 0.00 56.10 57.00 2fy5 s TRP 303 Cb -0.04 0.13 1.61 0.00 -1.50 0.00 0.00 33.47 33.66 2fy5 s TRP 303 CO 0.09 -1.20 1.98 1.88 -4.62 0.00 0.00 176.95 175.08 2fy5 h TYR 304 N 5.27 0.00 -0.38 5.86 -1.99 -1.87 -2.48 116.97 121.38 2fy5 h TYR 304 Ca 0.09 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.79 2fy5 h TYR 304 Cb 1.09 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.80 2fy5 h TYR 304 CO 0.13 0.00 0.13 -0.44 -0.00 0.00 0.00 178.16 177.98 2fy5 h ASP 305 N 0.00 0.48 -4.04 3.88 3.32 -1.84 -3.43 116.42 114.79 2fy5 h ASP 305 Ca 0.11 -0.05 -0.51 0.00 0.02 0.00 0.00 57.03 56.59 2fy5 h ASP 305 Cb 0.79 -0.12 0.08 0.00 0.22 0.00 0.00 39.33 40.30 2fy5 h ASP 305 CO -0.00 0.46 0.49 -0.75 -1.72 0.00 0.00 179.24 177.72 2fy5 s LYS 306 N -5.22 3.50 0.05 3.56 2.47 -0.94 -1.29 119.74 121.88 2fy5 s LYS 306 Ca -0.08 1.80 -0.31 0.00 -1.56 0.00 0.00 55.97 55.83 2fy5 s LYS 306 Cb 0.16 -2.25 -0.16 0.00 -1.46 0.00 0.00 37.83 34.12 2fy5 s LYS 306 CO 0.75 -0.77 1.46 0.77 0.16 0.00 0.00 175.35 177.72 2fy5 h SER 307 N 1.65 -1.00 -3.48 1.43 0.02 -1.83 -3.38 113.55 106.96 2fy5 h SER 307 Ca -0.50 0.05 -0.67 0.00 -0.84 0.00 0.00 61.79 59.83 2fy5 h SER 307 Cb 1.26 0.28 -0.28 0.00 0.14 0.00 0.00 62.40 63.80 2fy5 h SER 307 CO 0.58 -0.64 -0.81 -0.76 -1.14 0.00 0.00 176.83 174.06 2fy5 s LEU 308 N -8.95 2.50 -0.32 5.07 1.43 -1.26 -0.53 118.68 116.62 2fy5 s LEU 308 Ca -0.16 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 52.58 2fy5 s LEU 308 Cb 0.02 -1.53 0.10 0.00 0.03 0.00 0.00 46.19 44.81 2fy5 s LEU 308 CO 0.49 0.19 0.05 -1.10 0.23 0.00 0.00 176.35 176.22 2fy5 s GLN 309 N 0.16 1.29 -0.10 1.70 -0.21 -0.73 -2.08 119.66 119.70 2fy5 s GLN 309 Ca -0.09 -1.58 -0.28 0.00 0.02 0.00 0.00 55.36 53.43 2fy5 s GLN 309 Cb -0.16 -2.81 -0.02 0.00 1.00 0.00 0.00 33.01 31.02 2fy5 s GLN 309 CO 0.06 -0.92 0.91 -0.06 -2.12 0.00 0.00 175.29 173.16 2fy5 s PHE 310 N 1.14 3.52 -0.21 0.91 0.40 -0.86 -1.21 117.98 121.67 2fy5 s PHE 310 Ca 0.09 1.47 -0.10 0.00 -0.60 0.00 0.00 56.93 57.79 2fy5 s PHE 310 Cb -0.19 -3.08 -0.05 0.00 0.51 0.00 0.00 43.02 40.22 2fy5 s PHE 310 CO -0.13 -0.15 0.12 0.08 0.70 0.00 0.00 175.22 175.84 2fy5 s VAL 311 N 1.73 5.23 -0.40 -0.44 1.01 -0.30 0.51 120.40 127.73 2fy5 s VAL 311 Ca 0.45 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.56 2fy5 s VAL 311 Cb -0.18 -3.40 0.13 0.00 0.00 0.00 0.00 36.38 32.93 2fy5 s VAL 311 CO 0.18 0.41 0.21 -0.69 0.00 0.00 0.00 175.10 175.21 2fy5 s VAL 312 N 0.61 0.98 0.53 2.92 1.01 0.92 -2.17 120.40 125.20 2fy5 s VAL 312 Ca 0.07 -2.17 -0.15 0.00 0.00 0.00 0.00 61.98 59.73 2fy5 s VAL 312 Cb -0.12 -1.70 -0.07 0.00 0.00 0.00 0.00 36.38 34.49 2fy5 s VAL 312 CO 0.01 -0.89 0.97 -0.83 0.00 0.00 0.00 175.10 174.36 2fy5 s GLY 313 N 0.72 1.95 0.28 4.51 0.00 -0.47 -3.15 107.32 111.16 2fy5 s GLY 313 Ca 0.17 0.07 -0.01 0.00 0.00 0.00 0.00 44.72 44.95 2fy5 s GLY 313 CO -0.03 0.34 1.88 -0.09 0.00 0.00 0.00 173.10 175.20 2fy5 h ARG 314 N 0.66 1.09 0.00 2.90 9.65 -1.22 -2.53 114.38 124.93 2fy5 h ARG 314 Ca -0.46 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.35 2fy5 h ARG 314 Cb 1.19 -0.25 0.00 0.00 -1.39 0.00 0.00 29.97 29.52 2fy5 h ARG 314 CO 0.62 0.72 -0.06 -0.40 2.80 0.00 0.00 179.97 183.66 2fy5 n ASP 315 N -4.51 0.29 0.00 -3.80 5.68 -1.26 -4.66 116.55 108.28 2fy5 n ASP 315 Ca 0.16 0.46 0.00 0.00 -0.50 0.00 0.00 54.79 54.90 2fy5 n ASP 315 Cb 0.21 -0.51 0.00 0.00 -1.14 0.00 0.00 41.12 39.68 2fy5 n ASP 315 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2fy5 n GLY 316 N 1.44 1.12 3.64 6.12 0.00 -0.95 -4.48 105.19 112.08 2fy5 n GLY 316 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 2fy5 n GLY 316 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fy5 s THR 317 N -2.00 4.10 0.11 2.61 2.01 -1.26 -2.07 115.64 119.15 2fy5 s THR 317 Ca 0.00 1.28 0.01 0.00 0.31 0.00 0.00 61.69 63.29 2fy5 s THR 317 Cb 0.00 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 2fy5 s THR 317 CO 0.00 -0.31 -0.04 0.00 -0.69 0.00 0.00 174.62 173.58 2fy5 n GLY 319 N -0.08 -0.58 3.38 0.00 0.00 -0.92 -1.63 105.19 105.35 2fy5 n GLY 319 Ca -0.10 -0.66 -0.01 0.00 0.00 0.00 0.00 46.02 45.25 2fy5 n GLY 319 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fy5 s VAL 320 N -3.90 -0.93 0.23 1.61 0.11 -0.21 -1.15 120.40 116.16 2fy5 s VAL 320 Ca 0.00 0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 58.77 2fy5 s VAL 320 Cb 0.00 -0.94 -0.09 0.00 -1.53 0.00 0.00 36.38 33.82 2fy5 s VAL 320 CO 0.00 -0.00 1.02 -0.69 -3.33 0.00 0.00 175.10 172.10 2fy5 s VAL 321 N 2.82 3.91 -0.04 2.04 1.01 -0.35 -2.58 120.40 127.22 2fy5 s VAL 321 Ca 0.05 1.83 0.04 0.00 0.00 0.00 0.00 61.98 63.90 2fy5 s VAL 321 Cb -0.13 -4.17 -0.00 0.00 0.00 0.00 0.00 36.38 32.08 2fy5 s VAL 321 CO -0.19 0.40 -0.15 0.00 0.00 0.00 0.00 175.10 175.16 2fy5 s GLU 323 N 0.08 3.79 0.20 0.00 -6.30 0.31 -2.90 118.70 113.88 2fy5 s GLU 323 Ca -0.04 0.52 -0.10 0.00 -2.50 0.00 0.00 54.97 52.85 2fy5 s GLU 323 Cb -0.11 -3.82 0.21 0.00 0.00 0.00 0.00 34.13 30.41 2fy5 s GLU 323 CO 0.02 -1.00 1.81 1.25 0.02 0.00 0.00 175.26 177.36 2fy5 h HIS 324 N 8.59 0.68 -0.95 5.30 -0.00 -1.84 -3.33 115.15 123.60 2fy5 h HIS 324 Ca -0.23 0.02 0.29 0.00 -0.00 0.00 0.00 60.37 60.45 2fy5 h HIS 324 Cb 1.08 -0.21 -0.16 0.00 -0.00 0.00 0.00 27.41 28.12 2fy5 h HIS 324 CO 0.84 0.34 0.29 0.66 -0.00 0.00 0.00 177.93 180.07 2fy5 h SER 325 N 0.69 0.02 1.82 3.26 4.64 -1.94 -2.11 113.55 119.94 2fy5 h SER 325 Ca 0.28 0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 2fy5 h SER 325 Cb 0.13 0.30 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2fy5 h SER 325 CO -0.16 -0.26 0.00 1.55 -0.87 0.00 0.00 176.83 177.10 2fy5 h PRO 326 N 0.14 0.00 -2.35 4.77 0.13 -1.92 -3.48 132.00 129.29 2fy5 h PRO 326 Ca 0.65 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.91 2fy5 h PRO 326 Cb 1.45 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.46 2fy5 h PRO 326 CO -0.74 0.00 0.47 -0.59 -0.23 0.00 0.00 178.00 176.92 2fy5 s PHE 327 N -3.20 -0.25 0.38 1.56 -0.12 -0.79 -4.78 117.98 110.77 2fy5 s PHE 327 Ca 0.08 0.04 0.08 0.00 -0.05 0.00 0.00 56.93 57.07 2fy5 s PHE 327 Cb 0.07 0.59 -0.02 0.00 -0.63 0.00 0.00 43.02 43.03 2fy5 s PHE 327 CO 0.64 -0.69 0.37 -0.51 -0.05 0.00 0.00 175.22 174.99 2fy5 s ASP 328 N -2.71 5.30 0.30 1.98 1.01 -1.26 -4.70 116.67 116.59 2fy5 s ASP 328 Ca 0.08 -0.56 0.06 0.00 0.71 0.00 0.00 52.55 52.84 2fy5 s ASP 328 Cb -0.01 -0.80 0.79 0.00 1.01 0.00 0.00 42.92 43.91 2fy5 s ASP 328 CO -0.04 -0.53 1.71 1.23 0.21 0.00 0.00 175.17 177.75 2fy5 h GLY 329 N 1.06 1.68 0.69 0.21 0.00 -1.97 -2.51 103.07 102.23 2fy5 h GLY 329 Ca -0.43 -0.22 0.03 0.00 0.00 0.00 0.00 47.33 46.70 2fy5 h GLY 329 CO 0.56 -0.26 -0.08 -2.22 0.00 0.00 0.00 176.54 174.54 2fy5 h ILE 330 N 0.47 0.76 -0.06 2.60 1.08 -1.96 -0.26 117.51 120.14 2fy5 h ILE 330 Ca 0.59 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 65.06 2fy5 h ILE 330 Cb 1.13 0.76 -0.00 0.00 -3.07 0.00 0.00 36.82 35.64 2fy5 h ILE 330 CO -0.51 0.00 0.03 0.58 -0.69 0.00 0.00 178.15 177.56 2fy5 h VAL 331 N -0.11 1.11 -0.64 1.67 2.07 -1.89 -2.82 116.25 115.64 2fy5 h VAL 331 Ca 0.06 -0.32 0.12 0.00 0.82 0.00 0.00 66.70 67.37 2fy5 h VAL 331 Cb 0.19 1.22 -0.09 0.00 -1.52 0.00 0.00 31.29 31.10 2fy5 h VAL 331 CO -0.14 0.09 0.20 0.25 0.02 0.00 0.00 177.57 177.99 2fy5 h LEU 332 N -0.03 0.13 -1.11 2.57 5.85 -1.15 -2.42 115.31 119.15 2fy5 h LEU 332 Ca 0.02 0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 2fy5 h LEU 332 Cb 0.12 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2fy5 h LEU 332 CO -0.00 0.06 -0.17 0.58 -0.34 0.00 0.00 178.44 178.57 2fy5 h VAL 333 N 0.34 1.23 -0.44 1.05 2.07 -0.88 -0.16 116.25 119.47 2fy5 h VAL 333 Ca 0.34 -1.06 -0.11 0.00 0.82 0.00 0.00 66.70 66.69 2fy5 h VAL 333 Cb 0.49 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 2fy5 h VAL 333 CO -0.38 0.34 -0.16 1.56 0.02 0.00 0.00 177.57 178.95 2fy5 h GLN 334 N 0.39 0.84 -0.06 1.57 1.08 -1.20 0.34 115.11 118.07 2fy5 h GLN 334 Ca 0.07 -0.31 -0.02 0.00 -1.45 0.00 0.00 58.65 56.94 2fy5 h GLN 334 Cb 0.53 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.90 2fy5 h GLN 334 CO 0.03 0.94 -0.02 0.00 -0.95 0.00 0.00 178.83 178.83 2fy5 h THR 336 N -0.24 0.85 -0.33 0.00 2.02 -0.82 0.41 112.91 114.81 2fy5 h THR 336 Ca 0.02 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 2fy5 h THR 336 Cb 0.45 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 2fy5 h THR 336 CO 0.01 0.00 0.10 -0.33 0.37 0.00 0.00 175.52 175.67 2fy5 h GLU 337 N -0.10 0.47 -0.38 6.66 5.08 -0.33 -1.32 114.58 124.65 2fy5 h GLU 337 Ca 0.02 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 2fy5 h GLU 337 Cb 0.13 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2fy5 h GLU 337 CO -0.06 0.42 -0.22 1.25 -1.00 0.00 0.00 179.01 179.40 2fy5 h HIS 338 N 0.46 0.95 0.28 4.33 2.76 -0.45 -1.43 115.15 122.05 2fy5 h HIS 338 Ca 0.11 -0.25 0.01 0.00 -2.20 0.00 0.00 60.37 58.04 2fy5 h HIS 338 Cb 0.15 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 28.86 2fy5 h HIS 338 CO 0.01 1.01 -0.41 -0.07 -1.30 0.00 0.00 177.93 177.17 2fy5 h LEU 339 N 0.62 -1.16 -1.66 0.26 3.38 0.75 -1.79 115.31 115.70 2fy5 h LEU 339 Ca 0.08 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 2fy5 h LEU 339 Cb 0.78 0.41 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2fy5 h LEU 339 CO 0.06 -0.53 -0.10 -0.07 0.09 0.00 0.00 178.44 177.90 2fy5 h LEU 340 N -0.75 0.08 -0.60 1.67 3.38 -1.24 -2.22 115.31 115.63 2fy5 h LEU 340 Ca -0.01 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 2fy5 h LEU 340 Cb 0.71 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2fy5 h LEU 340 CO -0.14 0.20 -0.36 0.50 0.09 0.00 0.00 178.44 178.73 2fy5 h LYS 341 N 0.09 0.72 -0.77 1.13 3.64 -0.93 -2.51 116.57 117.93 2fy5 h LYS 341 Ca 0.02 -0.35 0.03 0.00 -1.27 0.00 0.00 60.65 59.07 2fy5 h LYS 341 Cb 0.23 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 2fy5 h LYS 341 CO 0.01 0.96 0.51 1.25 -2.27 0.00 0.00 179.45 179.92 2fy5 h HIS 342 N 0.60 0.93 -3.04 1.91 2.76 -0.72 -3.51 115.15 114.08 2fy5 h HIS 342 Ca 0.06 0.02 -0.54 0.00 -2.20 0.00 0.00 60.37 57.71 2fy5 h HIS 342 Cb 0.89 -0.31 0.01 0.00 1.55 0.00 0.00 27.41 29.54 2fy5 h HIS 342 CO 0.04 0.56 0.70 -1.64 -1.30 0.00 0.00 177.93 176.30 2fy5 s MET 343 N -5.83 4.35 0.00 5.26 -1.94 -0.95 -5.07 119.30 115.12 2fy5 s MET 343 Ca -0.11 1.91 0.00 0.00 -1.71 0.00 0.00 55.69 55.78 2fy5 s MET 343 Cb 0.18 -3.40 0.00 0.00 2.01 0.00 0.00 34.83 33.62 2fy5 s MET 343 CO 0.78 -0.42 0.00 -2.30 -0.01 0.00 0.00 175.02 173.07 2fy5 n PRO 357 N 4.48 0.00 -3.53 2.03 -0.02 -1.26 -5.12 135.00 131.58 2fy5 n PRO 357 Ca 0.11 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.19 2fy5 n PRO 357 Cb 0.44 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.88 2fy5 n PRO 357 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2fy5 s LEU 359 N 0.00 5.90 0.96 2.45 2.96 -1.26 -5.07 118.68 124.61 2fy5 s LEU 359 Ca 0.00 -3.35 -0.13 0.00 -0.22 0.00 0.00 54.13 50.43 2fy5 s LEU 359 Cb 0.00 -2.02 0.04 0.00 0.50 0.00 0.00 46.19 44.71 2fy5 s LEU 359 CO 0.00 -0.31 0.42 -2.65 -1.32 0.00 0.00 176.35 172.49 2fy5 n PRO 360 N 2.93 -0.35 -3.13 0.98 -0.02 -1.26 -4.95 135.00 129.21 2fy5 n PRO 360 Ca 0.18 -0.06 -0.34 0.00 -2.02 0.00 0.00 63.50 61.26 2fy5 n PRO 360 Cb 0.39 -1.87 -0.06 0.00 -0.02 0.00 0.00 33.50 31.95 2fy5 n PRO 360 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fy5 s ALA 361 N -2.40 3.36 0.43 3.55 0.00 -1.26 -5.03 121.76 120.41 2fy5 s ALA 361 Ca 0.57 0.08 -0.26 0.00 0.00 0.00 0.00 51.96 52.36 2fy5 s ALA 361 Cb -0.21 -2.78 -0.08 0.00 0.00 0.00 0.00 23.12 20.04 2fy5 s ALA 361 CO 0.67 0.33 1.37 -2.14 0.00 0.00 0.00 175.76 176.00 2fy5 s PRO 362 N -2.60 3.80 0.19 0.00 0.02 -1.26 -5.00 135.00 130.14 2fy5 s PRO 362 Ca 0.50 2.30 -0.20 0.00 0.02 0.00 0.00 61.00 63.62 2fy5 s PRO 362 Cb -0.13 -2.69 -0.08 0.00 0.02 0.00 0.00 34.50 31.62 2fy5 s PRO 362 CO 0.19 -0.69 0.70 1.03 -0.33 0.00 0.00 177.00 177.90 2fy5 s ARG 363 N -2.37 4.27 -0.20 5.54 0.52 -1.11 -4.88 118.95 120.72 2fy5 s ARG 363 Ca 0.59 0.87 -0.10 0.00 -0.52 0.00 0.00 55.73 56.58 2fy5 s ARG 363 Cb -0.41 -2.97 -0.05 0.00 0.52 0.00 0.00 34.95 32.03 2fy5 s ARG 363 CO 0.53 0.45 0.12 0.50 0.02 0.00 0.00 175.30 176.92 2fy5 s ARG 364 N -1.77 4.14 0.25 3.54 3.52 -1.26 0.30 118.95 127.67 2fy5 s ARG 364 Ca 0.40 -0.25 -0.30 0.00 -0.13 0.00 0.00 55.73 55.46 2fy5 s ARG 364 Cb -0.18 -3.41 -0.10 0.00 -1.56 0.00 0.00 34.95 29.71 2fy5 s ARG 364 CO 0.21 0.26 1.35 -0.51 -0.81 0.00 0.00 175.30 175.80 2fy5 s LEU 365 N 0.47 4.41 0.32 -0.88 1.43 -0.62 -4.96 118.68 118.85 2fy5 s LEU 365 Ca 0.07 2.56 -0.05 0.00 -1.03 0.00 0.00 54.13 55.69 2fy5 s LEU 365 Cb -0.12 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.43 2fy5 s LEU 365 CO -0.01 -0.58 0.58 -0.13 0.23 0.00 0.00 176.35 176.44 2fy5 s ARG 366 N -0.62 3.62 -0.08 1.70 0.52 -1.26 -4.84 118.95 117.98 2fy5 s ARG 366 Ca 0.56 0.00 -0.06 0.00 -0.52 0.00 0.00 55.73 55.71 2fy5 s ARG 366 Cb -0.39 -2.61 0.03 0.00 0.52 0.00 0.00 34.95 32.50 2fy5 s ARG 366 CO 0.43 0.16 0.21 -1.58 0.02 0.00 0.00 175.30 174.54 2fy5 s TRP 367 N -2.18 -0.25 -0.53 -0.53 0.52 -1.26 -4.58 118.94 110.13 2fy5 s TRP 367 Ca 0.44 0.62 -0.01 0.00 0.02 0.00 0.00 56.10 57.17 2fy5 s TRP 367 Cb -0.10 0.04 0.14 0.00 -1.15 0.00 0.00 33.47 32.39 2fy5 s TRP 367 CO 0.32 -0.16 0.31 0.15 0.02 0.00 0.00 176.95 177.59 2fy5 s LYS 368 N 0.67 2.22 0.60 4.98 1.02 -1.26 -5.00 119.74 122.97 2fy5 s LYS 368 Ca -0.05 -2.31 -0.13 0.00 0.02 0.00 0.00 55.97 53.50 2fy5 s LYS 368 Cb -0.06 -3.57 -0.04 0.00 -0.52 0.00 0.00 37.83 33.64 2fy5 s LYS 368 CO -0.04 -1.12 1.03 0.00 -0.92 0.00 0.00 175.35 174.30 2fy5 s SER 370 N -3.68 1.37 0.61 0.00 1.04 -1.26 -5.02 113.70 106.76 2fy5 s SER 370 Ca 0.57 -1.51 0.33 0.00 0.48 0.00 0.00 55.95 55.82 2fy5 s SER 370 Cb -0.12 0.34 1.89 0.00 0.10 0.00 0.00 66.02 68.23 2fy5 s SER 370 CO 0.46 -0.85 2.20 -0.65 0.98 0.00 0.00 173.24 175.39 2fy5 h PRO 371 N 2.28 0.00 0.46 4.02 0.11 -1.99 -2.13 132.00 134.74 2fy5 h PRO 371 Ca -0.35 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 2fy5 h PRO 371 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2fy5 h PRO 371 CO 0.54 0.00 -0.22 0.93 -0.21 0.00 0.00 178.00 179.04 2fy5 h GLU 372 N 0.00 -0.60 -1.01 1.05 5.08 -2.00 -2.94 114.58 114.16 2fy5 h GLU 372 Ca 0.03 0.04 0.25 0.00 -1.00 0.00 0.00 59.36 58.68 2fy5 h GLU 372 Cb 0.22 0.14 -0.12 0.00 0.50 0.00 0.00 28.75 29.49 2fy5 h GLU 372 CO -0.00 -0.40 0.61 0.82 -1.00 0.00 0.00 179.01 179.04 2fy5 h ILE 373 N -0.77 0.55 -0.81 3.13 1.08 -1.86 0.25 117.51 119.08 2fy5 h ILE 373 Ca -0.06 -0.19 0.04 0.00 -0.39 0.00 0.00 64.86 64.26 2fy5 h ILE 373 Cb 0.47 -0.06 -0.05 0.00 -3.07 0.00 0.00 36.82 34.12 2fy5 h ILE 373 CO 0.10 0.10 0.53 -0.61 -0.69 0.00 0.00 178.15 177.59 2fy5 h GLN 374 N 0.56 0.94 -0.20 2.37 5.75 -1.38 0.06 115.11 123.21 2fy5 h GLN 374 Ca 0.63 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.99 2fy5 h GLN 374 Cb 1.26 -0.21 -0.00 0.00 1.07 0.00 0.00 27.48 29.59 2fy5 h GLN 374 CO -0.43 0.62 -0.19 0.78 -2.65 0.00 0.00 178.83 176.96 2fy5 h GLY 375 N 0.97 0.52 1.00 2.39 0.00 -0.33 -2.91 103.07 104.70 2fy5 h GLY 375 Ca 0.33 -0.52 0.01 0.00 0.00 0.00 0.00 47.33 47.14 2fy5 h GLY 375 CO -0.10 0.47 0.42 0.45 0.00 0.00 0.00 176.54 177.79 2fy5 h HIS 376 N 0.14 0.80 -0.51 5.60 3.86 -0.86 -1.69 115.15 122.50 2fy5 h HIS 376 Ca 0.03 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2fy5 h HIS 376 Cb 0.73 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.90 2fy5 h HIS 376 CO 0.08 0.50 0.32 -0.07 0.86 0.00 0.00 177.93 179.62 2fy5 h LEU 377 N 0.86 0.59 -0.08 2.43 3.38 -1.03 -1.30 115.31 120.17 2fy5 h LEU 377 Ca 0.24 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2fy5 h LEU 377 Cb -0.09 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 2fy5 h LEU 377 CO -0.06 0.44 0.01 0.00 0.09 0.00 0.00 178.44 178.93 2fy5 h ALA 378 N 1.66 0.10 0.10 1.53 0.00 -1.13 -1.00 119.26 120.53 2fy5 h ALA 378 Ca 0.19 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2fy5 h ALA 378 Cb -0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2fy5 h ALA 378 CO -0.04 -0.26 -0.12 0.77 0.00 0.00 0.00 179.25 179.61 2fy5 h SER 379 N -0.11 -0.32 -0.81 0.00 0.02 -0.90 -1.85 113.55 109.58 2fy5 h SER 379 Ca 0.02 0.03 0.12 0.00 -0.84 0.00 0.00 61.79 61.13 2fy5 h SER 379 Cb 0.27 0.12 -0.09 0.00 0.14 0.00 0.00 62.40 62.84 2fy5 h SER 379 CO 0.00 -0.18 0.42 0.28 -1.14 0.00 0.00 176.83 176.21 2fy5 h SER 380 N -0.25 0.54 -0.44 3.07 0.02 -1.23 0.36 113.55 115.61 2fy5 h SER 380 Ca 0.01 0.08 0.04 0.00 -0.84 0.00 0.00 61.79 61.08 2fy5 h SER 380 Cb 0.25 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.74 2fy5 h SER 380 CO -0.05 0.26 0.20 0.00 -1.14 0.00 0.00 176.83 176.10 2fy5 h ALA 381 N 1.51 0.54 -0.07 3.77 0.00 -0.68 0.15 119.26 124.48 2fy5 h ALA 381 Ca 0.43 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 55.21 2fy5 h ALA 381 Cb 0.54 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2fy5 h ALA 381 CO -0.32 -0.17 -0.65 1.49 0.00 0.00 0.00 179.25 179.60 2fy5 h GLU 382 N 0.40 0.29 -0.42 0.00 4.81 -0.25 -2.47 114.58 116.95 2fy5 h GLU 382 Ca 0.19 -0.22 -0.14 0.00 -0.13 0.00 0.00 59.36 59.06 2fy5 h GLU 382 Cb 0.13 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2fy5 h GLU 382 CO -0.16 0.84 -0.30 0.87 -0.73 0.00 0.00 179.01 179.53 2fy5 h LYS 383 N 0.21 0.93 0.00 1.92 1.79 0.08 -2.98 116.57 118.53 2fy5 h LYS 383 Ca -0.01 -0.44 -0.06 0.00 -2.18 0.00 0.00 60.65 57.96 2fy5 h LYS 383 Cb 1.18 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.81 2fy5 h LYS 383 CO 0.10 1.10 -0.29 1.25 -1.08 0.00 0.00 179.45 180.53 2fy5 h LEU 384 N 0.78 0.00 -0.44 2.94 7.12 -0.67 -2.92 115.31 122.12 2fy5 h LEU 384 Ca 0.08 0.00 -0.18 0.00 0.13 0.00 0.00 57.88 57.92 2fy5 h LEU 384 Cb 0.88 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.00 2fy5 h LEU 384 CO 0.08 0.29 -0.74 -0.61 -0.13 0.00 0.00 178.44 177.33 2fy5 h GLN 385 N 0.00 0.29 -0.49 1.25 5.75 -1.30 -2.53 115.11 118.08 2fy5 h GLN 385 Ca -0.00 -0.25 -0.09 0.00 -0.15 0.00 0.00 58.65 58.16 2fy5 h GLN 385 Cb 0.83 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.42 2fy5 h GLN 385 CO 0.04 0.91 -0.03 0.00 -2.65 0.00 0.00 178.83 177.09 2fy5 h ARG 386 N 0.19 0.88 -0.76 1.69 3.08 -1.37 0.15 114.38 118.24 2fy5 h ARG 386 Ca -0.03 -0.30 -0.03 0.00 0.07 0.00 0.00 59.98 59.69 2fy5 h ARG 386 Cb 1.31 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.25 2fy5 h ARG 386 CO 0.12 0.93 0.35 0.82 -1.07 0.00 0.00 179.97 181.12 2fy5 h ILE 387 N 0.73 1.25 -0.38 2.04 2.04 -1.45 0.49 117.51 122.24 2fy5 h ILE 387 Ca 0.13 -0.71 -0.15 0.00 1.00 0.00 0.00 64.86 65.13 2fy5 h ILE 387 Cb 0.55 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 2fy5 h ILE 387 CO 0.03 0.30 -0.37 0.58 0.00 0.00 0.00 178.15 178.69 2fy5 h VAL 388 N 1.07 1.27 0.00 1.67 2.07 -1.26 -2.34 116.25 118.74 2fy5 h VAL 388 Ca 0.26 -1.54 -0.11 0.00 0.82 0.00 0.00 66.70 66.12 2fy5 h VAL 388 Cb 0.14 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 2fy5 h VAL 388 CO -0.03 0.51 -0.53 0.50 0.02 0.00 0.00 177.57 178.04 2fy5 h LYS 389 N 0.73 0.00 0.00 1.57 1.63 -0.24 -3.24 116.57 117.03 2fy5 h LYS 389 Ca 0.06 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 2fy5 h LYS 389 Cb 0.95 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.58 2fy5 h LYS 389 CO 0.09 0.53 -0.60 -1.71 -3.45 0.00 0.00 179.45 174.31 2fy5 n ASN 390 N -3.84 0.63 -4.64 4.20 4.05 0.17 -4.85 115.26 110.97 2fy5 n ASN 390 Ca -0.01 0.03 -0.43 0.00 0.45 0.00 0.00 54.58 54.62 2fy5 n ASN 390 Cb 0.55 0.20 -0.02 0.00 1.23 0.00 0.00 39.78 41.74 2fy5 n ASN 390 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 2fy5 s LEU 391 N -3.91 3.98 -0.49 1.20 2.96 -0.89 -1.11 118.68 120.42 2fy5 s LEU 391 Ca 0.07 1.15 -0.10 0.00 -0.22 0.00 0.00 54.13 55.03 2fy5 s LEU 391 Cb 0.14 -3.54 0.12 0.00 0.50 0.00 0.00 46.19 43.42 2fy5 s LEU 391 CO 0.72 -0.83 0.38 -0.62 -1.32 0.00 0.00 176.35 174.67 2fy5 s ASP 392 N 1.58 5.80 0.08 3.68 2.15 -0.36 -4.89 116.67 124.71 2fy5 s ASP 392 Ca 0.46 -1.92 0.10 0.00 0.43 0.00 0.00 52.55 51.61 2fy5 s ASP 392 Cb -0.13 -2.05 -0.03 0.00 -0.30 0.00 0.00 42.92 40.41 2fy5 s ASP 392 CO 0.13 -0.72 -0.26 0.12 -0.17 0.00 0.00 175.17 174.27 2fy5 s PHE 393 N 1.36 2.27 -0.21 -5.34 5.36 -1.26 -1.54 117.98 118.62 2fy5 s PHE 393 Ca 0.06 -0.40 -0.22 0.00 -0.96 0.00 0.00 56.93 55.41 2fy5 s PHE 393 Cb -0.27 -1.30 0.06 0.00 -0.34 0.00 0.00 43.02 41.17 2fy5 s PHE 393 CO -0.00 0.21 0.60 -1.50 -1.46 0.00 0.00 175.22 173.07 2fy5 s ILE 394 N -0.92 0.00 -0.36 3.12 2.07 -0.65 -5.03 121.20 119.44 2fy5 s ILE 394 Ca 0.12 -0.02 -0.11 0.00 -1.41 0.00 0.00 60.65 59.23 2fy5 s ILE 394 Cb -0.10 -0.85 0.01 0.00 0.13 0.00 0.00 42.46 41.65 2fy5 s ILE 394 CO 0.04 -0.01 0.20 -0.69 -1.91 0.00 0.00 174.94 172.57 2fy5 s VAL 395 N 0.13 4.73 -0.16 4.00 1.01 -1.26 -1.60 120.40 127.25 2fy5 s VAL 395 Ca -0.01 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 2fy5 s VAL 395 Cb -0.04 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 2fy5 s VAL 395 CO 0.02 -0.13 -0.10 -0.47 0.00 0.00 0.00 175.10 174.42 2fy5 s TYR 396 N 1.60 2.87 -0.30 5.22 5.04 0.17 -4.90 117.35 127.06 2fy5 s TYR 396 Ca 0.04 -0.72 -0.03 0.00 -2.44 0.00 0.00 57.07 53.91 2fy5 s TYR 396 Cb -0.18 -1.93 0.04 0.00 0.35 0.00 0.00 41.96 40.24 2fy5 s TYR 396 CO 0.07 -0.30 0.02 0.21 -1.34 0.00 0.00 175.55 174.22 2fy5 s LYS 397 N 0.67 2.62 -0.21 4.97 2.20 -1.26 0.18 119.74 128.91 2fy5 s LYS 397 Ca -0.05 -1.15 -0.24 0.00 -0.36 0.00 0.00 55.97 54.17 2fy5 s LYS 397 Cb -0.15 -3.24 -0.01 0.00 -1.51 0.00 0.00 37.83 32.92 2fy5 s LYS 397 CO 0.02 -0.57 0.78 0.12 -0.36 0.00 0.00 175.35 175.34 2fy5 s PHE 398 N 1.33 3.36 -0.35 4.03 5.36 -0.37 -4.94 117.98 126.40 2fy5 s PHE 398 Ca -0.03 1.13 0.04 0.00 -0.96 0.00 0.00 56.93 57.11 2fy5 s PHE 398 Cb -0.19 -2.98 0.09 0.00 -0.34 0.00 0.00 43.02 39.61 2fy5 s PHE 398 CO -0.00 -0.30 1.01 -0.40 -1.46 0.00 0.00 175.22 174.07 2fy5 n ASP 399 N 5.53 2.16 0.10 6.13 5.68 -1.26 -1.19 116.55 133.70 2fy5 n ASP 399 Ca 0.04 -1.86 -0.03 0.00 -0.50 0.00 0.00 54.79 52.44 2fy5 n ASP 399 Cb 0.48 -0.07 0.18 0.00 -1.14 0.00 0.00 41.12 40.57 2fy5 n ASP 399 CO 0.00 0.00 0.00 -1.13 -1.33 0.00 0.00 177.20 174.74 2fy5 h ASN 400 N 0.72 0.21 -5.77 -1.12 -1.24 -1.92 -3.46 115.58 103.00 2fy5 h ASN 400 Ca 0.00 -0.11 0.32 0.00 0.71 0.00 0.00 56.30 57.22 2fy5 h ASN 400 Cb 0.51 -0.06 -0.09 0.00 0.73 0.00 0.00 38.32 39.41 2fy5 h ASN 400 CO 0.00 0.70 0.84 -0.72 -1.29 0.00 0.00 177.43 176.96 2fy5 s TYR 401 N -3.90 -0.00 0.00 0.67 -0.85 -1.22 -5.04 117.35 107.01 2fy5 s TYR 401 Ca -0.04 -0.13 0.00 0.00 -0.52 0.00 0.00 57.07 56.38 2fy5 s TYR 401 Cb 0.13 0.57 0.00 0.00 0.38 0.00 0.00 41.96 43.03 2fy5 s TYR 401 CO 0.78 -0.33 0.00 0.41 -1.52 0.00 0.00 175.55 174.89 2fy5 n GLY 402 N -0.69 4.80 0.26 5.49 0.00 -1.21 -3.81 105.19 110.03 2fy5 n GLY 402 Ca -0.03 -0.75 -0.08 0.00 0.00 0.00 0.00 46.02 45.16 2fy5 n GLY 402 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fy5 h LYS 403 N 0.00 -0.21 -0.77 1.61 1.57 -0.32 -2.51 116.57 115.93 2fy5 h LYS 403 Ca 0.00 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.89 2fy5 h LYS 403 Cb 0.00 0.05 -0.12 0.00 0.08 0.00 0.00 32.23 32.24 2fy5 h LYS 403 CO 0.00 -0.14 -0.48 1.15 -0.57 0.00 0.00 179.45 179.41 2fy5 h THR 404 N -0.22 0.03 -0.18 -0.16 2.02 -1.53 0.38 112.91 113.25 2fy5 h THR 404 Ca 0.14 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.34 2fy5 h THR 404 Cb 0.44 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 2fy5 h THR 404 CO -0.39 0.00 0.05 0.15 0.37 0.00 0.00 175.52 175.71 2fy5 h PHE 405 N -0.13 0.10 -0.50 3.16 3.57 -1.71 -2.44 116.94 118.98 2fy5 h PHE 405 Ca 0.20 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.78 2fy5 h PHE 405 Cb 0.53 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.20 2fy5 h PHE 405 CO -0.84 0.04 0.17 0.82 -2.23 0.00 0.00 178.31 176.28 2fy5 h ILE 406 N 0.14 0.82 -0.27 1.41 2.04 -0.44 -0.31 117.51 120.89 2fy5 h ILE 406 Ca 0.08 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.88 2fy5 h ILE 406 Cb 0.06 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 2fy5 h ILE 406 CO -0.09 0.06 0.19 0.11 0.00 0.00 0.00 178.15 178.42 2fy5 h LYS 407 N 0.34 0.12 0.00 2.37 1.57 -0.10 0.12 116.57 120.99 2fy5 h LYS 407 Ca 0.24 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2fy5 h LYS 407 Cb 0.26 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2fy5 h LYS 407 CO -0.25 0.08 0.00 1.63 -0.57 0.00 0.00 179.45 180.34 2fy5 n LYS 408 N -4.48 0.25 -0.18 3.15 5.02 -0.13 -1.76 118.16 120.02 2fy5 n LYS 408 Ca 0.03 0.12 0.09 0.00 -2.02 0.00 0.00 58.31 56.53 2fy5 n LYS 408 Cb 0.26 -1.50 0.18 0.00 -0.02 0.00 0.00 35.03 33.95 2fy5 n LYS 408 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2fy5 n GLN 409 N -1.26 2.35 -3.25 1.97 1.13 0.42 -4.95 117.38 113.79 2fy5 n GLN 409 Ca 0.08 -2.09 -0.16 0.00 -1.94 0.00 0.00 57.00 52.89 2fy5 n GLN 409 Cb 0.12 -1.39 0.06 0.00 0.11 0.00 0.00 30.24 29.14 2fy5 n GLN 409 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2fy5 n LYS 410 N 1.03 -5.52 -4.25 -1.09 5.02 -0.73 -5.02 118.16 107.61 2fy5 n LYS 410 Ca 0.15 0.58 -0.21 0.00 -2.02 0.00 0.00 58.31 56.81 2fy5 n LYS 410 Cb 0.49 -4.85 -0.12 0.00 -0.02 0.00 0.00 35.03 30.53 2fy5 n LYS 410 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2fy5 s SER 412 N -2.02 7.12 0.17 0.00 0.15 -1.26 -4.15 113.70 113.71 2fy5 s SER 412 Ca 0.05 1.66 -0.15 0.00 0.70 0.00 0.00 55.95 58.21 2fy5 s SER 412 Cb -0.09 -2.55 0.12 0.00 -1.71 0.00 0.00 66.02 61.79 2fy5 s SER 412 CO 0.04 -0.55 1.71 -0.65 1.20 0.00 0.00 173.24 174.98 2fy5 h PRO 413 N 7.37 0.15 -0.55 5.44 0.11 -1.92 0.37 132.00 142.97 2fy5 h PRO 413 Ca -0.31 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.76 2fy5 h PRO 413 Cb 1.14 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 2fy5 h PRO 413 CO 0.89 0.10 0.22 0.22 -0.21 0.00 0.00 178.00 179.21 2fy5 h ASP 414 N 0.15 0.72 -0.33 -2.05 3.58 -1.99 0.17 116.42 116.68 2fy5 h ASP 414 Ca 0.21 -0.09 -0.08 0.00 0.42 0.00 0.00 57.03 57.49 2fy5 h ASP 414 Cb 0.28 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 2fy5 h ASP 414 CO -0.31 0.65 -0.09 0.00 -2.88 0.00 0.00 179.24 176.61 2fy5 h ALA 415 N 1.45 0.46 0.11 -0.78 0.00 -1.75 -0.42 119.26 118.33 2fy5 h ALA 415 Ca 0.19 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2fy5 h ALA 415 Cb 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2fy5 h ALA 415 CO -0.02 0.30 -0.09 0.35 0.00 0.00 0.00 179.25 179.80 2fy5 h PHE 416 N 0.42 -0.23 -0.81 0.00 3.04 -0.32 -1.05 116.94 117.99 2fy5 h PHE 416 Ca 0.08 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.03 2fy5 h PHE 416 Cb 0.59 0.09 -0.04 0.00 2.56 0.00 0.00 35.95 39.15 2fy5 h PHE 416 CO 0.05 -0.14 0.48 0.82 -2.02 0.00 0.00 178.31 177.50 2fy5 h ILE 417 N -0.21 1.23 -0.64 1.41 2.04 -0.62 0.07 117.51 120.78 2fy5 h ILE 417 Ca -0.00 -0.52 -0.04 0.00 1.00 0.00 0.00 64.86 65.29 2fy5 h ILE 417 Cb 0.19 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.34 2fy5 h ILE 417 CO -0.01 0.24 0.22 1.56 0.00 0.00 0.00 178.15 180.17 2fy5 h GLN 418 N 1.12 0.96 -0.39 2.37 1.08 -0.56 -1.26 115.11 118.44 2fy5 h GLN 418 Ca 0.29 -0.18 -0.12 0.00 -1.45 0.00 0.00 58.65 57.20 2fy5 h GLN 418 Cb -0.03 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.24 2fy5 h GLN 418 CO -0.05 0.81 -0.21 0.28 -0.95 0.00 0.00 178.83 178.71 2fy5 h VAL 419 N 0.94 1.28 -0.40 -0.54 2.07 -0.59 -2.56 116.25 116.45 2fy5 h VAL 419 Ca 0.21 -1.35 0.08 0.00 0.82 0.00 0.00 66.70 66.47 2fy5 h VAL 419 Cb 0.23 1.31 -0.09 0.00 -1.52 0.00 0.00 31.29 31.22 2fy5 h VAL 419 CO -0.01 0.45 -0.23 0.00 0.02 0.00 0.00 177.57 177.80 2fy5 h ALA 420 N 0.80 0.04 -1.01 1.67 0.00 -0.20 -0.33 119.26 120.23 2fy5 h ALA 420 Ca 0.08 0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.19 2fy5 h ALA 420 Cb 0.76 0.53 -0.07 0.00 0.00 0.00 0.00 17.79 19.01 2fy5 h ALA 420 CO 0.06 -0.60 0.65 -0.07 0.00 0.00 0.00 179.25 179.29 2fy5 h LEU 421 N -0.16 1.04 -0.22 0.00 3.38 -1.07 -0.54 115.31 117.75 2fy5 h LEU 421 Ca 0.19 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 2fy5 h LEU 421 Cb 0.46 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2fy5 h LEU 421 CO -0.49 0.66 0.13 1.56 0.09 0.00 0.00 178.44 180.39 2fy5 h GLN 422 N 1.18 0.31 -0.76 1.13 1.08 -0.71 0.18 115.11 117.53 2fy5 h GLN 422 Ca 0.43 -0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.63 2fy5 h GLN 422 Cb 0.17 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.49 2fy5 h GLN 422 CO -0.17 0.27 0.48 1.25 -0.95 0.00 0.00 178.83 179.71 2fy5 h LEU 423 N 0.26 0.80 0.05 1.46 5.85 -0.56 -0.90 115.31 122.27 2fy5 h LEU 423 Ca 0.08 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 2fy5 h LEU 423 Cb 0.04 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.90 2fy5 h LEU 423 CO -0.01 0.55 -0.02 0.00 -0.34 0.00 0.00 178.44 178.62 2fy5 h ALA 424 N 1.32 -0.06 -0.17 1.25 0.00 -0.61 -0.59 119.26 120.39 2fy5 h ALA 424 Ca 0.30 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.19 2fy5 h ALA 424 Cb 0.01 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2fy5 h ALA 424 CO -0.11 -0.51 0.08 0.35 0.00 0.00 0.00 179.25 179.06 2fy5 h PHE 425 N -0.11 0.15 -0.28 0.00 3.57 -0.54 -2.13 116.94 117.60 2fy5 h PHE 425 Ca -0.01 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2fy5 h PHE 425 Cb 0.09 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 2fy5 h PHE 425 CO -0.06 0.08 0.13 -0.92 -2.23 0.00 0.00 178.31 175.31 2fy5 h TYR 426 N 0.17 0.41 0.00 0.41 3.20 -1.10 0.57 116.97 120.64 2fy5 h TYR 426 Ca 0.07 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 2fy5 h TYR 426 Cb 0.02 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.16 2fy5 h TYR 426 CO -0.10 0.39 -0.16 0.07 -1.64 0.00 0.00 178.16 176.72 2fy5 h ARG 427 N 0.32 0.00 0.02 1.82 0.11 -1.04 0.79 114.38 116.41 2fy5 h ARG 427 Ca 0.10 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.98 2fy5 h ARG 427 Cb 0.13 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.19 2fy5 h ARG 427 CO -0.01 0.16 -1.06 1.25 0.10 0.00 0.00 179.97 180.41 2fy5 h LEU 428 N 0.00 0.08 -1.49 0.08 6.46 -1.04 -3.41 115.31 116.00 2fy5 h LEU 428 Ca -0.00 -0.68 0.00 0.00 -0.12 0.00 0.00 57.88 57.07 2fy5 h LEU 428 Cb 0.36 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.27 2fy5 h LEU 428 CO 0.02 1.43 -0.14 1.41 -0.62 0.00 0.00 178.44 180.54 2fy5 n HIS 429 N -4.35 0.00 -1.29 1.25 8.25 0.20 -4.99 115.22 114.28 2fy5 n HIS 429 Ca -0.26 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.10 2fy5 n HIS 429 Cb 0.69 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.76 2fy5 n HIS 429 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2fy5 n ARG 430 N 0.71 -0.98 -3.46 -0.41 1.74 0.27 -4.97 116.66 109.57 2fy5 n ARG 430 Ca 0.10 0.81 -0.11 0.00 -0.77 0.00 0.00 57.85 57.89 2fy5 n ARG 430 Cb 0.47 -4.83 -0.02 0.00 -1.02 0.00 0.00 32.46 27.05 2fy5 n ARG 430 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2fy5 s ARG 431 N -2.67 1.09 0.20 5.56 1.70 -1.25 -5.04 118.95 118.54 2fy5 s ARG 431 Ca 0.00 -0.38 0.05 0.00 -0.47 0.00 0.00 55.73 54.93 2fy5 s ARG 431 Cb 0.00 0.50 -0.03 0.00 -0.57 0.00 0.00 34.95 34.85 2fy5 s ARG 431 CO 0.00 -0.47 0.28 -0.51 -1.08 0.00 0.00 175.30 173.52 2fy5 s LEU 432 N -2.58 4.17 0.05 -1.89 1.43 -1.26 -3.97 118.68 114.63 2fy5 s LEU 432 Ca 0.02 0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.12 2fy5 s LEU 432 Cb -0.01 -2.73 -0.03 0.00 0.03 0.00 0.00 46.19 43.45 2fy5 s LEU 432 CO -0.11 -0.01 0.00 0.68 0.23 0.00 0.00 176.35 177.15 2fy5 s VAL 433 N -1.90 0.20 -0.09 -1.59 -7.23 -1.26 -5.02 120.40 103.50 2fy5 s VAL 433 Ca 0.34 -1.61 -0.37 0.00 -1.81 0.00 0.00 61.98 58.52 2fy5 s VAL 433 Cb -0.10 -1.35 -0.15 0.00 0.56 0.00 0.00 36.38 35.35 2fy5 s VAL 433 CO 0.27 -0.89 1.63 -2.65 -0.31 0.00 0.00 175.10 173.16 2fy5 n PRO 434 N 0.27 1.44 -4.44 4.82 -0.02 -1.26 -4.72 135.00 131.09 2fy5 n PRO 434 Ca -0.15 0.52 -0.30 0.00 -2.02 0.00 0.00 63.50 61.56 2fy5 n PRO 434 Cb 0.60 -2.23 -0.12 0.00 -0.02 0.00 0.00 33.50 31.73 2fy5 n PRO 434 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2fy5 s THR 435 N 2.47 2.57 -0.05 3.45 2.01 -1.26 -3.04 115.64 121.80 2fy5 s THR 435 Ca 0.91 -1.54 0.06 0.00 0.31 0.00 0.00 61.69 61.43 2fy5 s THR 435 Cb -0.93 -2.14 -0.02 0.00 0.01 0.00 0.00 72.50 69.42 2fy5 s THR 435 CO 0.55 0.15 -0.21 -0.47 -0.69 0.00 0.00 174.62 173.95 2fy5 s TYR 436 N -1.05 2.51 -0.05 4.92 5.04 -0.26 -4.11 117.35 124.34 2fy5 s TYR 436 Ca 0.16 -0.44 -0.02 0.00 -2.44 0.00 0.00 57.07 54.32 2fy5 s TYR 436 Cb -0.10 -1.59 0.03 0.00 0.35 0.00 0.00 41.96 40.65 2fy5 s TYR 436 CO 0.07 -0.03 0.06 -2.00 -1.34 0.00 0.00 175.55 172.32 2fy5 s GLU 437 N -0.46 -0.07 -0.04 4.97 2.12 -1.06 0.23 118.70 124.39 2fy5 s GLU 437 Ca 0.05 0.36 -0.29 0.00 0.36 0.00 0.00 54.97 55.45 2fy5 s GLU 437 Cb -0.12 -0.58 -0.08 0.00 0.26 0.00 0.00 34.13 33.62 2fy5 s GLU 437 CO 0.01 -0.35 2.03 -1.12 -0.54 0.00 0.00 175.26 175.30 2fy5 s SER 438 N 2.17 6.17 -0.22 -1.70 0.01 -1.10 -1.74 113.70 117.30 2fy5 s SER 438 Ca 0.05 2.45 -0.04 0.00 1.31 0.00 0.00 55.95 59.72 2fy5 s SER 438 Cb -0.12 -2.52 -0.01 0.00 0.21 0.00 0.00 66.02 63.57 2fy5 s SER 438 CO -0.03 -1.31 -0.05 0.00 0.41 0.00 0.00 173.24 172.26 2fy5 s ALA 439 N 5.53 2.81 0.04 1.44 0.00 -0.82 -4.74 121.76 126.01 2fy5 s ALA 439 Ca 0.91 -1.16 -0.30 0.00 0.00 0.00 0.00 51.96 51.42 2fy5 s ALA 439 Cb -0.40 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.00 2fy5 s ALA 439 CO 0.40 -0.40 1.02 0.45 0.00 0.00 0.00 175.76 177.22 2fy5 s SER 440 N 1.43 7.33 -0.22 0.00 0.15 -1.26 -1.23 113.70 119.91 2fy5 s SER 440 Ca 0.05 1.77 0.14 0.00 0.70 0.00 0.00 55.95 58.61 2fy5 s SER 440 Cb -0.14 -2.58 0.48 0.00 -1.71 0.00 0.00 66.02 62.07 2fy5 s SER 440 CO -0.03 -0.27 1.39 2.30 1.20 0.00 0.00 173.24 177.83 2fy5 n ILE 441 N 3.66 2.33 0.00 6.45 -5.35 -1.08 -4.68 119.36 120.69 2fy5 n ILE 441 Ca 0.06 -2.35 0.00 0.00 -0.27 0.00 0.00 62.75 60.19 2fy5 n ILE 441 Cb 0.50 -0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.12 2fy5 n ILE 441 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2fy5 n ARG 442 N -0.93 0.00 -0.12 6.28 1.74 -1.25 -1.59 116.66 120.78 2fy5 n ARG 442 Ca 0.25 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.27 2fy5 n ARG 442 Cb 0.90 -1.41 0.12 0.00 -1.02 0.00 0.00 32.46 31.05 2fy5 n ARG 442 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2fy5 h ARG 443 N 0.00 0.85 -6.83 5.56 3.08 -1.85 0.71 114.38 115.90 2fy5 h ARG 443 Ca 0.00 -0.26 -0.47 0.00 0.07 0.00 0.00 59.98 59.32 2fy5 h ARG 443 Cb 0.00 -0.08 0.03 0.00 0.08 0.00 0.00 29.97 30.00 2fy5 h ARG 443 CO 0.00 0.88 0.00 -0.06 -1.07 0.00 0.00 179.97 179.72 2fy5 s PHE 444 N -4.90 3.36 0.13 3.04 0.40 -0.62 -4.34 117.98 115.04 2fy5 s PHE 444 Ca -0.10 0.49 -0.33 0.00 -0.60 0.00 0.00 56.93 56.39 2fy5 s PHE 444 Cb 0.14 -2.34 -0.13 0.00 0.51 0.00 0.00 43.02 41.20 2fy5 s PHE 444 CO 0.83 -0.37 1.66 1.04 0.70 0.00 0.00 175.22 179.07 2fy5 n GLN 445 N -2.20 2.28 -1.19 0.44 6.02 -0.81 -1.41 117.38 120.51 2fy5 n GLN 445 Ca 0.01 0.83 -0.08 0.00 -0.01 0.00 0.00 57.00 57.74 2fy5 n GLN 445 Cb 0.57 -2.62 -0.04 0.00 1.02 0.00 0.00 30.24 29.17 2fy5 n GLN 445 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2fy5 n GLU 446 N 4.11 -1.74 -1.69 -1.09 1.02 -1.26 -4.59 120.64 115.40 2fy5 n GLU 446 Ca 0.18 0.74 -0.44 0.00 -0.02 0.00 0.00 57.16 57.62 2fy5 n GLU 446 Cb 0.30 -5.07 -0.04 0.00 -0.02 0.00 0.00 31.44 26.62 2fy5 n GLU 446 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2fy5 n GLY 447 N 0.35 1.41 0.00 0.62 0.00 -0.50 -4.95 105.19 102.11 2fy5 n GLY 447 Ca -0.08 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.60 2fy5 n GLY 447 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fy5 n ARG 448 N 4.17 0.00 -3.54 1.61 5.12 -1.26 -3.96 116.66 118.80 2fy5 n ARG 448 Ca 0.17 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.92 2fy5 n ARG 448 Cb 0.33 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.57 2fy5 n ARG 448 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2fy5 s VAL 449 N 0.00 0.01 0.48 1.55 -7.23 -1.26 -2.63 120.40 111.32 2fy5 s VAL 449 Ca 0.00 -0.05 0.03 0.00 -1.81 0.00 0.00 61.98 60.15 2fy5 s VAL 449 Cb 0.00 -0.97 -0.03 0.00 0.56 0.00 0.00 36.38 35.94 2fy5 s VAL 449 CO 0.00 -0.03 0.01 -0.62 -0.31 0.00 0.00 175.10 174.16 2fy5 s ASP 450 N -1.33 4.07 -0.11 4.85 -1.08 -0.36 -4.90 116.67 117.81 2fy5 s ASP 450 Ca -0.10 -1.56 -0.03 0.00 -0.52 0.00 0.00 52.55 50.34 2fy5 s ASP 450 Cb -0.00 0.23 -0.03 0.00 -1.46 0.00 0.00 42.92 41.65 2fy5 s ASP 450 CO 0.08 -0.73 0.02 0.21 0.52 0.00 0.00 175.17 175.26 2fy5 s ASN 451 N -3.84 5.34 -0.31 -0.34 2.47 -1.26 -1.95 114.94 115.05 2fy5 s ASN 451 Ca 0.15 0.12 -0.10 0.00 0.42 0.00 0.00 52.86 53.46 2fy5 s ASN 451 Cb 0.04 -1.65 -0.01 0.00 -1.45 0.00 0.00 41.25 38.19 2fy5 s ASN 451 CO 0.08 0.32 0.16 -0.63 -3.72 0.00 0.00 177.10 173.31 2fy5 s ILE 452 N -0.52 4.64 -0.96 -5.21 1.01 -0.71 -4.67 121.20 114.78 2fy5 s ILE 452 Ca 0.09 -0.42 -0.18 0.00 0.00 0.00 0.00 60.65 60.14 2fy5 s ILE 452 Cb -0.12 -3.37 0.14 0.00 0.01 0.00 0.00 42.46 39.11 2fy5 s ILE 452 CO 0.02 0.05 1.16 -0.13 0.00 0.00 0.00 174.94 176.04 2fy5 s ARG 453 N 1.62 3.66 0.00 2.79 0.52 -1.26 -2.56 118.95 123.71 2fy5 s ARG 453 Ca 0.05 -1.86 0.09 0.00 -0.52 0.00 0.00 55.73 53.48 2fy5 s ARG 453 Cb -0.17 -4.93 0.40 0.00 0.52 0.00 0.00 34.95 30.77 2fy5 s ARG 453 CO 0.06 -1.77 1.27 0.43 0.02 0.00 0.00 175.30 175.32 2fy5 n SER 454 N 6.42 0.00 -3.04 0.23 7.64 -1.26 -3.90 113.62 119.71 2fy5 n SER 454 Ca 0.25 0.44 -0.33 0.00 1.01 0.00 0.00 58.87 60.24 2fy5 n SER 454 Cb 0.48 -0.46 -0.05 0.00 -1.01 0.00 0.00 64.21 63.17 2fy5 n SER 454 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2fy5 n ALA 455 N -1.46 6.96 -1.12 -0.43 0.00 -1.26 -4.87 120.51 118.32 2fy5 n ALA 455 Ca 0.03 -3.39 -0.29 0.00 0.00 0.00 0.00 53.44 49.78 2fy5 n ALA 455 Cb 0.10 -2.81 0.16 0.00 0.00 0.00 0.00 19.45 16.90 2fy5 n ALA 455 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2fy5 s THR 456 N 0.14 2.37 0.28 0.00 -4.23 -1.25 -4.92 115.64 108.02 2fy5 s THR 456 Ca 0.62 0.12 0.11 0.00 -1.18 0.00 0.00 61.69 61.36 2fy5 s THR 456 Cb 0.23 -2.56 -0.02 0.00 1.34 0.00 0.00 72.50 71.50 2fy5 s THR 456 CO -0.09 -0.16 1.62 -0.65 -0.54 0.00 0.00 174.62 174.81 2fy5 h PRO 457 N -1.78 0.00 0.00 3.99 0.11 -1.91 -2.72 132.00 129.70 2fy5 h PRO 457 Ca -0.52 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 2fy5 h PRO 457 Cb 1.30 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 2fy5 h PRO 457 CO 0.55 0.61 -0.15 0.93 -0.21 0.00 0.00 178.00 179.73 2fy5 h GLU 458 N 0.00 0.00 0.04 1.05 3.07 -1.93 -2.50 114.58 114.31 2fy5 h GLU 458 Ca -0.01 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 58.61 2fy5 h GLU 458 Cb 1.08 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.96 2fy5 h GLU 458 CO 0.08 0.15 -1.19 0.00 -1.40 0.00 0.00 179.01 176.64 2fy5 h ALA 459 N 1.85 0.32 -0.46 3.43 0.00 -1.83 -2.99 119.26 119.59 2fy5 h ALA 459 Ca -0.00 -0.99 -0.09 0.00 0.00 0.00 0.00 54.91 53.83 2fy5 h ALA 459 Cb 0.75 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2fy5 h ALA 459 CO 0.02 1.21 -0.08 1.25 0.00 0.00 0.00 179.25 181.65 2fy5 h LEU 460 N 0.03 0.87 -1.34 0.00 5.85 -1.19 -1.11 115.31 118.41 2fy5 h LEU 460 Ca -0.10 -0.35 -0.06 0.00 0.84 0.00 0.00 57.88 58.21 2fy5 h LEU 460 Cb 1.87 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.66 2fy5 h LEU 460 CO 0.15 1.01 -0.30 0.00 -0.34 0.00 0.00 178.44 178.96 2fy5 h ALA 461 N 0.88 1.23 0.03 1.25 0.00 -1.52 -1.36 119.26 119.77 2fy5 h ALA 461 Ca 0.12 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 2fy5 h ALA 461 Cb 0.61 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.36 2fy5 h ALA 461 CO 0.04 0.37 -0.34 0.35 0.00 0.00 0.00 179.25 179.67 2fy5 h PHE 462 N 0.00 0.28 -0.06 0.00 3.57 -1.33 -2.78 116.94 116.62 2fy5 h PHE 462 Ca -0.00 -0.18 -0.07 0.00 3.53 0.00 0.00 57.97 61.25 2fy5 h PHE 462 Cb 0.64 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 2fy5 h PHE 462 CO 0.00 1.05 -0.29 -0.39 -2.23 0.00 0.00 178.31 176.46 2fy5 h VAL 463 N -0.57 1.23 -0.08 1.41 -1.51 -1.15 -1.85 116.25 113.73 2fy5 h VAL 463 Ca -0.05 -1.10 -0.20 0.00 -1.23 0.00 0.00 66.70 64.12 2fy5 h VAL 463 Cb 1.18 1.51 -0.00 0.00 -2.13 0.00 0.00 31.29 31.85 2fy5 h VAL 463 CO 0.07 0.32 -0.77 0.03 -1.23 0.00 0.00 177.57 175.99 2fy5 h ARG 464 N 0.10 0.48 -0.47 5.19 3.08 -1.34 -2.05 114.38 119.37 2fy5 h ARG 464 Ca 0.01 -0.41 -0.14 0.00 0.07 0.00 0.00 59.98 59.52 2fy5 h ARG 464 Cb 0.57 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 2fy5 h ARG 464 CO 0.04 1.04 -0.24 0.00 -1.07 0.00 0.00 179.97 179.74 2fy5 h ALA 465 N 0.84 0.69 -0.18 0.04 0.00 -1.17 -1.65 119.26 117.83 2fy5 h ALA 465 Ca -0.04 -0.40 -0.15 0.00 0.00 0.00 0.00 54.91 54.31 2fy5 h ALA 465 Cb 1.36 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2fy5 h ALA 465 CO 0.14 0.67 -0.49 0.28 0.00 0.00 0.00 179.25 179.85 2fy5 h VAL 466 N 0.84 1.33 0.00 0.00 2.07 -1.35 -3.36 116.25 115.78 2fy5 h VAL 466 Ca 0.10 -1.74 -0.13 0.00 0.82 0.00 0.00 66.70 65.75 2fy5 h VAL 466 Cb 0.82 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.51 2fy5 h VAL 466 CO 0.07 0.54 -0.95 0.71 0.02 0.00 0.00 177.57 177.96 2fy5 h THR 467 N 0.32 0.69 -1.75 2.57 1.35 -1.41 -3.43 112.91 111.25 2fy5 h THR 467 Ca -0.01 -2.10 -0.65 0.00 -0.55 0.00 0.00 66.41 63.10 2fy5 h THR 467 Cb 1.11 2.22 -0.14 0.00 -1.73 0.00 0.00 68.15 69.62 2fy5 h THR 467 CO 0.11 0.39 1.18 -0.62 -0.25 0.00 0.00 175.52 176.33 2fy5 s ASP 468 N -6.12 6.57 0.22 5.36 2.15 -0.62 -4.86 116.67 119.38 2fy5 s ASP 468 Ca 0.01 -1.76 -0.08 0.00 0.43 0.00 0.00 52.55 51.14 2fy5 s ASP 468 Cb 0.08 -2.49 0.28 0.00 -0.30 0.00 0.00 42.92 40.50 2fy5 s ASP 468 CO 0.78 -1.28 1.81 0.45 -0.17 0.00 0.00 175.17 176.76 2fy5 h HIS 469 N 9.28 0.76 -0.96 -5.34 3.86 -1.87 -2.20 115.15 118.68 2fy5 h HIS 469 Ca 0.18 0.03 0.15 0.00 -1.16 0.00 0.00 60.37 59.57 2fy5 h HIS 469 Cb 1.01 -0.23 -0.09 0.00 1.06 0.00 0.00 27.41 29.16 2fy5 h HIS 469 CO 1.22 0.36 0.58 0.87 0.86 0.00 0.00 177.93 181.82 2fy5 h LYS 470 N 0.75 0.81 0.00 2.45 1.57 -1.98 0.10 116.57 120.26 2fy5 h LYS 470 Ca 0.33 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2fy5 h LYS 470 Cb 0.22 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 2fy5 h LYS 470 CO -0.19 0.53 -0.02 0.00 -0.57 0.00 0.00 179.45 179.20 2fy5 h ALA 471 N 1.58 1.07 -6.75 3.86 0.00 -1.79 -3.45 119.26 113.78 2fy5 h ALA 471 Ca 0.52 -0.01 -0.55 0.00 0.00 0.00 0.00 54.91 54.86 2fy5 h ALA 471 Cb 0.66 -0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.24 2fy5 h ALA 471 CO -0.33 0.02 -0.84 0.00 0.00 0.00 0.00 179.25 178.10 2fy5 n ALA 472 N -2.13 -1.31 -1.77 0.00 0.00 0.36 -4.84 120.51 110.82 2fy5 n ALA 472 Ca -0.02 -0.03 -0.42 0.00 0.00 0.00 0.00 53.44 52.97 2fy5 n ALA 472 Cb 0.15 -3.32 -0.03 0.00 0.00 0.00 0.00 19.45 16.25 2fy5 n ALA 472 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2fy5 s VAL 473 N -3.34 2.14 0.55 0.00 1.01 -1.26 -4.92 120.40 114.58 2fy5 s VAL 473 Ca 0.69 0.10 -0.21 0.00 0.00 0.00 0.00 61.98 62.56 2fy5 s VAL 473 Cb -0.38 -3.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 2fy5 s VAL 473 CO 0.93 0.01 1.36 -2.84 0.00 0.00 0.00 175.10 174.56 2fy5 s PRO 474 N 0.93 3.10 0.37 2.72 0.02 -1.26 -4.82 135.00 136.07 2fy5 s PRO 474 Ca 0.72 2.23 0.05 0.00 0.02 0.00 0.00 61.00 64.02 2fy5 s PRO 474 Cb -0.48 -2.23 0.73 0.00 0.02 0.00 0.00 34.50 32.54 2fy5 s PRO 474 CO 0.34 -1.22 1.99 0.00 -0.33 0.00 0.00 177.00 177.78 2fy5 h ALA 475 N 1.40 1.56 0.00 -1.55 0.00 -1.99 -1.04 119.26 117.64 2fy5 h ALA 475 Ca -0.51 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.24 2fy5 h ALA 475 Cb 1.30 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2fy5 h ALA 475 CO 0.57 0.35 -0.32 0.66 0.00 0.00 0.00 179.25 180.52 2fy5 h SER 476 N 0.59 0.00 0.13 0.00 4.64 -1.96 -0.87 113.55 116.08 2fy5 h SER 476 Ca 0.15 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.21 2fy5 h SER 476 Cb 0.07 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.17 2fy5 h SER 476 CO -0.02 0.32 -1.02 -0.08 -0.87 0.00 0.00 176.83 175.16 2fy5 h GLU 477 N 0.00 0.60 -0.73 4.77 4.57 -1.61 -2.82 114.58 119.36 2fy5 h GLU 477 Ca -0.00 -0.65 0.01 0.00 -1.18 0.00 0.00 59.36 57.53 2fy5 h GLU 477 Cb 0.59 0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 29.33 2fy5 h GLU 477 CO 0.04 1.25 0.47 0.87 -1.18 0.00 0.00 179.01 180.47 2fy5 h LYS 478 N 0.33 0.96 -0.37 1.92 1.57 -0.66 -1.35 116.57 118.98 2fy5 h LYS 478 Ca -0.12 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.64 2fy5 h LYS 478 Cb 1.67 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 33.73 2fy5 h LYS 478 CO 0.19 0.65 0.15 1.25 -0.57 0.00 0.00 179.45 181.12 2fy5 h LEU 479 N 0.99 0.19 0.01 2.94 5.85 -1.13 0.21 115.31 124.36 2fy5 h LEU 479 Ca 0.27 0.03 0.02 0.00 0.84 0.00 0.00 57.88 59.04 2fy5 h LEU 479 Cb -0.10 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 2fy5 h LEU 479 CO -0.06 0.14 -0.13 -0.07 -0.34 0.00 0.00 178.44 177.99 2fy5 h LEU 480 N 0.32 -0.38 -1.87 2.25 3.38 -1.15 -0.52 115.31 117.33 2fy5 h LEU 480 Ca 0.16 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.19 2fy5 h LEU 480 Cb 0.12 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2fy5 h LEU 480 CO -0.15 -0.19 0.10 -0.07 0.09 0.00 0.00 178.44 178.22 2fy5 h LEU 481 N -0.23 0.15 -0.05 1.67 3.38 -0.76 0.10 115.31 119.58 2fy5 h LEU 481 Ca 0.04 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2fy5 h LEU 481 Cb 0.28 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2fy5 h LEU 481 CO -0.12 0.11 0.01 0.25 0.09 0.00 0.00 178.44 178.78 2fy5 h LEU 482 N 0.18 0.07 -0.88 1.67 6.46 0.46 -0.48 115.31 122.79 2fy5 h LEU 482 Ca 0.06 -0.27 -0.09 0.00 -0.12 0.00 0.00 57.88 57.45 2fy5 h LEU 482 Cb 0.00 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 39.90 2fy5 h LEU 482 CO -0.01 0.32 -0.16 0.11 -0.62 0.00 0.00 178.44 178.09 2fy5 h LYS 483 N -0.18 0.66 -0.40 1.25 1.79 -0.14 -0.82 116.57 118.72 2fy5 h LYS 483 Ca 0.01 -0.22 -0.09 0.00 -2.18 0.00 0.00 60.65 58.18 2fy5 h LYS 483 Cb 0.28 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.86 2fy5 h LYS 483 CO 0.00 0.78 -0.10 0.22 -1.08 0.00 0.00 179.45 179.27 2fy5 h ASP 484 N 0.59 0.69 -0.13 0.86 3.58 -0.72 0.15 116.42 121.44 2fy5 h ASP 484 Ca 0.10 -0.20 -0.02 0.00 0.42 0.00 0.00 57.03 57.33 2fy5 h ASP 484 Cb 0.60 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.46 2fy5 h ASP 484 CO 0.04 0.83 0.01 0.00 -2.88 0.00 0.00 179.24 177.24 2fy5 h ALA 485 N 1.24 0.17 0.00 -0.78 0.00 -0.58 -1.24 119.26 118.07 2fy5 h ALA 485 Ca 0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2fy5 h ALA 485 Cb 0.55 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2fy5 h ALA 485 CO 0.03 -0.16 -0.06 0.82 0.00 0.00 0.00 179.25 179.89 2fy5 h ILE 486 N -0.03 0.28 -0.08 0.00 2.04 -0.82 -1.81 117.51 117.10 2fy5 h ILE 486 Ca 0.04 -0.36 -0.23 0.00 1.00 0.00 0.00 64.86 65.30 2fy5 h ILE 486 Cb 0.32 1.28 0.01 0.00 -0.74 0.00 0.00 36.82 37.69 2fy5 h ILE 486 CO 0.00 0.05 -0.86 -0.09 0.00 0.00 0.00 178.15 177.26 2fy5 h ARG 487 N 0.00 0.72 -0.13 2.37 2.43 0.12 -2.89 114.38 117.00 2fy5 h ARG 487 Ca -0.00 -0.67 -0.15 0.00 -0.81 0.00 0.00 59.98 58.35 2fy5 h ARG 487 Cb 0.27 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 2fy5 h ARG 487 CO 0.01 1.27 -0.56 0.00 -1.51 0.00 0.00 179.97 179.17 2fy5 h ALA 488 N 0.47 0.79 -0.23 2.80 0.00 -0.54 -1.63 119.26 120.92 2fy5 h ALA 488 Ca -0.08 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 2fy5 h ALA 488 Cb 1.50 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2fy5 h ALA 488 CO 0.17 0.70 0.10 0.37 0.00 0.00 0.00 179.25 180.59 2fy5 h GLN 489 N 0.30 0.34 -0.27 0.00 5.75 -1.41 -0.98 115.11 118.84 2fy5 h GLN 489 Ca 0.00 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 58.37 2fy5 h GLN 489 Cb 1.08 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.56 2fy5 h GLN 489 CO 0.10 0.38 -0.14 1.15 -2.65 0.00 0.00 178.83 177.66 2fy5 h THR 490 N 0.23 1.23 -0.48 2.39 2.02 -1.44 0.52 112.91 117.38 2fy5 h THR 490 Ca 0.08 -1.02 -0.12 0.00 0.77 0.00 0.00 66.41 66.12 2fy5 h THR 490 Cb 0.16 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 2fy5 h THR 490 CO -0.01 0.33 -0.17 0.00 0.37 0.00 0.00 175.52 176.05 2fy5 h ALA 491 N 1.43 0.79 -0.23 6.16 0.00 -0.98 -1.37 119.26 125.07 2fy5 h ALA 491 Ca 0.08 -0.37 -0.19 0.00 0.00 0.00 0.00 54.91 54.43 2fy5 h ALA 491 Cb 0.50 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2fy5 h ALA 491 CO 0.03 0.66 -0.60 -0.92 0.00 0.00 0.00 179.25 178.42 2fy5 h TYR 492 N 0.83 1.05 0.45 0.00 3.20 -0.77 -2.17 116.97 119.56 2fy5 h TYR 492 Ca 0.12 -0.41 -0.01 0.00 3.14 0.00 0.00 58.73 61.57 2fy5 h TYR 492 Cb 0.72 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 2fy5 h TYR 492 CO 0.04 1.23 -0.37 1.15 -1.64 0.00 0.00 178.16 178.57 2fy5 h THR 493 N 0.57 0.24 -0.50 1.81 2.02 -0.74 0.34 112.91 116.65 2fy5 h THR 493 Ca -0.01 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.27 2fy5 h THR 493 Cb 1.22 0.24 -0.10 0.00 -1.74 0.00 0.00 68.15 67.77 2fy5 h THR 493 CO 0.13 0.00 -0.16 0.58 0.37 0.00 0.00 175.52 176.44 2fy5 h VAL 494 N -0.82 0.43 -0.80 3.16 2.07 -1.27 0.31 116.25 119.34 2fy5 h VAL 494 Ca -0.04 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.55 2fy5 h VAL 494 Cb 0.71 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 2fy5 h VAL 494 CO -0.02 0.00 0.48 -0.03 0.02 0.00 0.00 177.57 178.01 2fy5 h MET 495 N -0.05 0.82 0.12 1.57 -1.53 -0.69 -2.82 114.93 112.35 2fy5 h MET 495 Ca 0.24 -0.05 -0.01 0.00 -3.44 0.00 0.00 59.70 56.44 2fy5 h MET 495 Cb 0.41 -0.19 0.00 0.00 -0.55 0.00 0.00 31.60 31.28 2fy5 h MET 495 CO -0.54 0.55 -0.06 0.00 0.14 0.00 0.00 176.91 177.00 2fy5 h ALA 496 N 1.40 -0.15 0.00 0.39 0.00 0.16 -1.06 119.26 120.00 2fy5 h ALA 496 Ca 0.36 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2fy5 h ALA 496 Cb 0.23 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2fy5 h ALA 496 CO -0.20 -0.43 0.00 0.44 0.00 0.00 0.00 179.25 179.07 2fy5 n ILE 497 N -5.01 0.95 -0.46 0.00 -5.35 -0.33 -1.58 119.36 107.58 2fy5 n ILE 497 Ca -0.09 0.24 0.08 0.00 -0.27 0.00 0.00 62.75 62.72 2fy5 n ILE 497 Cb 0.21 -1.05 0.26 0.00 -1.74 0.00 0.00 39.64 37.32 2fy5 n ILE 497 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2fy5 n THR 498 N -1.38 1.43 -1.00 7.28 -2.24 -1.07 -4.78 114.28 112.52 2fy5 n THR 498 Ca 0.04 -1.19 -0.00 0.00 -2.27 0.00 0.00 64.05 60.63 2fy5 n THR 498 Cb 0.11 0.28 -0.00 0.00 -2.10 0.00 0.00 70.33 68.62 2fy5 n THR 498 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fy5 n GLY 499 N 0.75 0.48 1.47 3.38 0.00 -0.61 -4.80 105.19 105.85 2fy5 n GLY 499 Ca 0.20 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.24 2fy5 n GLY 499 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2fy5 n MET 500 N -2.85 3.50 0.00 1.61 2.81 -0.41 -4.46 117.12 117.32 2fy5 n MET 500 Ca -0.00 -2.81 0.00 0.00 -1.81 0.00 0.00 57.70 53.08 2fy5 n MET 500 Cb 0.02 -1.80 0.00 0.00 -0.71 0.00 0.00 33.22 30.73 2fy5 n MET 500 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2fy5 n ALA 501 N 1.11 0.00 0.00 3.04 0.00 -1.17 -4.81 120.51 118.68 2fy5 n ALA 501 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2fy5 n ALA 501 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.27 2fy5 n ALA 501 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2fy5 n ILE 502 N -0.82 0.00 0.26 0.00 -5.35 -1.26 -4.74 119.36 107.45 2fy5 n ILE 502 Ca 0.00 0.00 -0.16 0.00 -0.27 0.00 0.00 62.75 62.32 2fy5 n ILE 502 Cb 0.00 -0.12 -0.08 0.00 -1.74 0.00 0.00 39.64 37.70 2fy5 n ILE 502 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 2fy5 h ASP 503 N 0.00 -0.88 -0.64 7.28 5.19 -1.98 -1.40 116.42 123.99 2fy5 h ASP 503 Ca 0.00 0.07 0.02 0.00 -0.62 0.00 0.00 57.03 56.49 2fy5 h ASP 503 Cb 0.37 0.28 -0.04 0.00 0.18 0.00 0.00 39.33 40.13 2fy5 h ASP 503 CO 0.00 -0.50 0.41 0.78 -3.12 0.00 0.00 179.24 176.81 2fy5 h ASN 504 N -0.76 0.69 0.21 6.45 2.35 -1.93 -1.44 115.58 121.14 2fy5 h ASN 504 Ca -0.04 -0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.71 2fy5 h ASN 504 Cb 0.65 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.82 2fy5 h ASN 504 CO -0.01 0.49 -0.47 -0.74 -1.65 0.00 0.00 177.43 175.05 2fy5 h HIS 505 N 0.82 -1.34 -0.94 1.19 2.76 -1.81 -0.44 115.15 115.40 2fy5 h HIS 505 Ca 0.24 0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.53 2fy5 h HIS 505 Cb -0.04 0.56 -0.07 0.00 1.55 0.00 0.00 27.41 29.41 2fy5 h HIS 505 CO -0.04 -0.58 0.60 -0.07 -1.30 0.00 0.00 177.93 176.55 2fy5 h LEU 506 N -0.77 0.91 0.15 0.26 3.38 -1.12 -1.41 115.31 116.71 2fy5 h LEU 506 Ca -0.01 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2fy5 h LEU 506 Cb 0.75 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2fy5 h LEU 506 CO -0.22 0.55 -0.18 0.25 0.09 0.00 0.00 178.44 178.94 2fy5 h LEU 507 N 1.01 -0.49 -1.02 1.67 5.85 -0.60 0.23 115.31 121.97 2fy5 h LEU 507 Ca 0.42 0.05 0.06 0.00 0.84 0.00 0.00 57.88 59.25 2fy5 h LEU 507 Cb 0.30 0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.44 2fy5 h LEU 507 CO -0.18 -0.27 0.65 0.00 -0.34 0.00 0.00 178.44 178.31 2fy5 h ALA 508 N 0.42 1.39 -0.22 1.25 0.00 -0.30 -1.25 119.26 120.55 2fy5 h ALA 508 Ca 0.01 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 2fy5 h ALA 508 Cb 0.37 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2fy5 h ALA 508 CO -0.07 0.48 -0.24 -0.07 0.00 0.00 0.00 179.25 179.36 2fy5 h LEU 509 N 1.20 0.41 0.33 0.00 3.38 -0.79 -2.07 115.31 117.78 2fy5 h LEU 509 Ca 0.42 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 2fy5 h LEU 509 Cb 0.11 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2fy5 h LEU 509 CO -0.15 0.65 -0.16 -0.09 0.09 0.00 0.00 178.44 178.78 2fy5 h ARG 510 N 0.37 -0.43 0.00 1.13 2.43 0.17 -2.49 114.38 115.56 2fy5 h ARG 510 Ca 0.06 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 2fy5 h ARG 510 Cb 0.62 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.26 2fy5 h ARG 510 CO 0.04 -0.12 -0.16 0.93 -1.51 0.00 0.00 179.97 179.16 2fy5 h GLU 511 N -0.76 0.00 -0.13 0.20 4.39 -1.33 -1.16 114.58 115.80 2fy5 h GLU 511 Ca -0.05 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.58 2fy5 h GLU 511 Cb 0.51 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2fy5 h GLU 511 CO 0.07 0.16 -0.19 -0.07 -1.16 0.00 0.00 179.01 177.82 2fy5 h LEU 512 N 0.00 0.40 -0.75 1.33 3.38 -1.35 -2.30 115.31 116.01 2fy5 h LEU 512 Ca -0.00 -0.52 0.02 0.00 0.09 0.00 0.00 57.88 57.46 2fy5 h LEU 512 Cb 0.40 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 2fy5 h LEU 512 CO 0.02 0.84 0.49 0.00 0.09 0.00 0.00 178.44 179.88 2fy5 h ALA 513 N 0.57 0.97 -0.82 1.53 0.00 -0.96 -1.19 119.26 119.36 2fy5 h ALA 513 Ca 0.01 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.93 2fy5 h ALA 513 Cb 0.75 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 2fy5 h ALA 513 CO 0.04 0.33 0.54 -0.09 0.00 0.00 0.00 179.25 180.08 2fy5 h ARG 514 N 0.99 0.93 -0.09 0.00 2.43 -1.17 0.21 114.38 117.68 2fy5 h ARG 514 Ca 0.29 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.37 2fy5 h ARG 514 Cb -0.07 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.26 2fy5 h ARG 514 CO -0.08 0.62 -0.07 0.00 -1.51 0.00 0.00 179.97 178.92 2fy5 h ALA 515 N 1.54 1.72 0.00 2.80 0.00 -0.64 -2.55 119.26 122.14 2fy5 h ALA 515 Ca 0.34 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.95 2fy5 h ALA 515 Cb 0.12 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.87 2fy5 h ALA 515 CO -0.11 0.21 -0.70 0.52 0.00 0.00 0.00 179.25 179.18 2fy5 h MET 516 N 0.12 0.47 -2.15 0.00 2.86 -0.25 -3.46 114.93 112.52 2fy5 h MET 516 Ca 0.03 -0.51 0.01 0.00 -2.06 0.00 0.00 59.70 57.17 2fy5 h MET 516 Cb 0.22 0.14 -0.22 0.00 0.06 0.00 0.00 31.60 31.80 2fy5 h MET 516 CO 0.01 1.15 -0.12 0.00 1.06 0.00 0.00 176.91 179.01 2fy5 h ALA 518 N 7.50 2.23 -2.25 0.00 0.00 -1.83 -3.36 119.26 121.55 2fy5 h ALA 518 Ca -0.25 -0.02 -0.61 0.00 0.00 0.00 0.00 54.91 54.03 2fy5 h ALA 518 Cb 1.17 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.88 2fy5 h ALA 518 CO 0.15 -0.90 0.31 0.00 0.00 0.00 0.00 179.25 178.82 2fy5 s ALA 519 N -4.50 3.47 0.74 0.00 0.00 -1.26 -4.98 121.76 115.23 2fy5 s ALA 519 Ca -0.04 -0.63 -0.11 0.00 0.00 0.00 0.00 51.96 51.19 2fy5 s ALA 519 Cb 0.14 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 20.01 2fy5 s ALA 519 CO 0.48 -1.33 1.07 -0.51 0.00 0.00 0.00 175.76 175.47 2fy5 s LEU 520 N 2.93 3.00 0.86 0.00 1.43 -1.26 -4.91 118.68 120.73 2fy5 s LEU 520 Ca 0.30 1.62 -0.11 0.00 -1.03 0.00 0.00 54.13 54.90 2fy5 s LEU 520 Cb -0.14 -4.40 0.11 0.00 0.03 0.00 0.00 46.19 41.79 2fy5 s LEU 520 CO 0.15 -1.70 1.09 -2.84 0.23 0.00 0.00 176.35 173.28 2fy5 s PRO 521 N -5.02 1.56 0.55 1.29 0.02 -1.26 -4.84 135.00 127.30 2fy5 s PRO 521 Ca 0.59 0.76 0.27 0.00 0.02 0.00 0.00 61.00 62.65 2fy5 s PRO 521 Cb -0.15 -1.85 1.58 0.00 0.02 0.00 0.00 34.50 34.10 2fy5 s PRO 521 CO 0.55 -2.01 2.15 1.49 -0.33 0.00 0.00 177.00 178.85 2fy5 h GLU 522 N -1.38 0.00 -0.67 5.54 4.81 -1.96 -1.92 114.58 118.99 2fy5 h GLU 522 Ca -0.48 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 58.85 2fy5 h GLU 522 Cb 1.28 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.58 2fy5 h GLU 522 CO 0.56 0.07 0.29 1.98 -0.73 0.00 0.00 179.01 181.18 2fy5 h MET 523 N 0.00 0.48 -0.16 1.92 4.05 -1.90 0.75 114.93 120.07 2fy5 h MET 523 Ca -0.00 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 2fy5 h MET 523 Cb 0.18 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 30.87 2fy5 h MET 523 CO 0.01 0.32 0.00 1.19 0.23 0.00 0.00 176.91 178.66 2fy5 n PHE 524 N -4.94 0.18 0.60 1.39 3.01 -0.76 -3.83 117.46 113.11 2fy5 n PHE 524 Ca 0.10 -0.09 0.08 0.00 1.01 0.00 0.00 57.45 58.55 2fy5 n PHE 524 Cb 0.29 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.66 2fy5 n PHE 524 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 2fy5 n MET 525 N 1.24 1.28 -1.67 -1.08 2.81 -0.92 -4.76 117.12 114.02 2fy5 n MET 525 Ca 0.16 -0.04 -0.45 0.00 -1.81 0.00 0.00 57.70 55.57 2fy5 n MET 525 Cb 0.57 -1.31 -0.03 0.00 -0.71 0.00 0.00 33.22 31.73 2fy5 n MET 525 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2fy5 n ASP 526 N -1.56 2.77 0.29 7.83 4.64 0.21 -4.84 116.55 125.90 2fy5 n ASP 526 Ca 0.02 1.13 0.15 0.00 -1.38 0.00 0.00 54.79 54.71 2fy5 n ASP 526 Cb 0.30 -1.42 0.90 0.00 -1.04 0.00 0.00 41.12 39.86 2fy5 n ASP 526 CO 0.00 0.00 0.00 -0.08 -0.82 0.00 0.00 177.20 176.30 2fy5 h GLU 527 N 4.41 0.00 -0.28 -0.67 4.57 -1.93 -1.67 114.58 119.02 2fy5 h GLU 527 Ca -0.45 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 57.68 2fy5 h GLU 527 Cb 1.27 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.86 2fy5 h GLU 527 CO 0.77 0.01 -0.04 1.15 -1.18 0.00 0.00 179.01 179.73 2fy5 h THR 528 N 0.00 1.27 -0.46 0.32 2.02 -1.94 -1.55 112.91 112.56 2fy5 h THR 528 Ca -0.00 -1.02 -0.07 0.00 0.77 0.00 0.00 66.41 66.09 2fy5 h THR 528 Cb 0.03 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 2fy5 h THR 528 CO 0.00 0.32 0.01 0.22 0.37 0.00 0.00 175.52 176.44 2fy5 h TYR 529 N 0.28 0.89 -0.87 3.16 5.03 -1.59 -2.47 116.97 121.40 2fy5 h TYR 529 Ca 0.07 -0.15 0.01 0.00 2.58 0.00 0.00 58.73 61.25 2fy5 h TYR 529 Cb 0.49 -0.23 -0.05 0.00 1.55 0.00 0.00 36.73 38.49 2fy5 h TYR 529 CO 0.04 0.85 0.58 -0.07 -1.32 0.00 0.00 178.16 178.24 2fy5 h LEU 530 N 0.67 0.99 -0.64 2.82 3.38 -1.36 -2.76 115.31 118.40 2fy5 h LEU 530 Ca 0.13 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 2fy5 h LEU 530 Cb 0.49 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2fy5 h LEU 530 CO 0.02 0.71 -0.17 0.24 0.09 0.00 0.00 178.44 179.33 2fy5 h MET 531 N 1.16 0.88 0.00 1.13 2.86 -1.13 -2.88 114.93 116.95 2fy5 h MET 531 Ca 0.33 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2fy5 h MET 531 Cb -0.11 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.51 2fy5 h MET 531 CO -0.08 0.98 0.06 0.66 1.06 0.00 0.00 176.91 179.60 2fy5 h SER 532 N 0.78 0.00 -0.01 1.22 4.64 -1.14 -2.39 113.55 116.65 2fy5 h SER 532 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2fy5 h SER 532 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 2fy5 h SER 532 CO 0.05 0.00 -0.55 0.59 -0.87 0.00 0.00 176.83 176.05 2fy5 n ASN 533 N -2.90 1.79 -4.44 4.97 3.02 -1.09 -4.72 115.26 111.90 2fy5 n ASN 533 Ca -0.03 -1.39 -0.44 0.00 -0.03 0.00 0.00 54.58 52.69 2fy5 n ASN 533 Cb 0.12 0.58 -0.03 0.00 -0.61 0.00 0.00 39.78 39.84 2fy5 n ASN 533 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2fy5 s ARG 534 N -2.49 3.55 -1.11 3.52 0.52 -0.90 -4.96 118.95 117.08 2fy5 s ARG 534 Ca 0.16 -1.77 -0.22 0.00 -0.52 0.00 0.00 55.73 53.39 2fy5 s ARG 534 Cb 0.17 -4.80 0.04 0.00 0.52 0.00 0.00 34.95 30.87 2fy5 s ARG 534 CO 0.60 -1.72 1.63 -0.06 0.02 0.00 0.00 175.30 175.78 2fy5 s PHE 535 N 2.50 2.49 0.63 -0.53 0.08 -1.26 -4.65 117.98 117.24 2fy5 s PHE 535 Ca 0.30 -0.83 0.38 0.00 0.12 0.00 0.00 56.93 56.90 2fy5 s PHE 535 Cb -0.07 -4.59 2.14 0.00 -0.57 0.00 0.00 43.02 39.93 2fy5 s PHE 535 CO -0.08 -1.82 2.31 0.28 -0.10 0.00 0.00 175.22 175.81 2fy5 h VAL 536 N 6.42 0.25 -3.54 -0.44 2.07 -1.88 -3.33 116.25 115.80 2fy5 h VAL 536 Ca 0.27 0.00 -0.60 0.00 0.82 0.00 0.00 66.70 67.18 2fy5 h VAL 536 Cb 0.96 0.99 -0.39 0.00 -1.52 0.00 0.00 31.29 31.33 2fy5 h VAL 536 CO 1.40 0.00 -0.77 -0.22 0.02 0.00 0.00 177.57 178.00 2fy5 s LEU 537 N -6.87 2.65 -0.30 2.57 2.96 -1.24 0.47 118.68 118.92 2fy5 s LEU 537 Ca -0.05 -1.33 -0.06 0.00 -0.22 0.00 0.00 54.13 52.47 2fy5 s LEU 537 Cb 0.14 -1.13 0.02 0.00 0.50 0.00 0.00 46.19 45.72 2fy5 s LEU 537 CO 0.47 -0.29 0.06 -0.55 -1.32 0.00 0.00 176.35 174.72 2fy5 s SER 538 N 1.41 5.02 0.33 3.68 0.15 -0.38 -1.10 113.70 122.81 2fy5 s SER 538 Ca -0.01 -0.87 0.07 0.00 0.70 0.00 0.00 55.95 55.84 2fy5 s SER 538 Cb -0.18 -1.83 -0.06 0.00 -1.71 0.00 0.00 66.02 62.23 2fy5 s SER 538 CO -0.09 -0.22 -0.04 0.42 1.20 0.00 0.00 173.24 174.51 2fy5 s THR 539 N 1.43 1.83 -0.08 6.45 -4.23 0.14 -1.28 115.64 119.90 2fy5 s THR 539 Ca 0.01 -2.11 -0.31 0.00 -1.18 0.00 0.00 61.69 58.09 2fy5 s THR 539 Cb -0.18 -2.64 0.12 0.00 1.34 0.00 0.00 72.50 71.14 2fy5 s THR 539 CO 0.01 -0.18 1.01 -0.94 -0.54 0.00 0.00 174.62 173.98 2fy5 s SER 540 N -3.54 -0.29 -0.11 3.99 1.04 -0.92 -2.71 113.70 111.16 2fy5 s SER 540 Ca 0.32 0.04 0.01 0.00 0.48 0.00 0.00 55.95 56.81 2fy5 s SER 540 Cb 0.05 0.29 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 2fy5 s SER 540 CO 0.15 -0.46 -0.15 -1.58 0.98 0.00 0.00 173.24 172.17 2fy5 s GLN 541 N -2.65 3.12 -0.40 4.02 0.74 -1.26 -2.35 119.66 120.87 2fy5 s GLN 541 Ca 0.06 -0.73 0.02 0.00 0.05 0.00 0.00 55.36 54.76 2fy5 s GLN 541 Cb -0.01 -2.51 0.15 0.00 1.10 0.00 0.00 33.01 31.74 2fy5 s GLN 541 CO -0.07 0.30 0.26 0.08 -0.55 0.00 0.00 175.29 175.31 2fy5 s VAL 542 N 0.11 0.68 0.39 1.34 1.01 -0.74 -4.90 120.40 118.30 2fy5 s VAL 542 Ca -0.07 -2.25 -0.23 0.00 0.00 0.00 0.00 61.98 59.42 2fy5 s VAL 542 Cb -0.15 -1.49 -0.10 0.00 0.00 0.00 0.00 36.38 34.64 2fy5 s VAL 542 CO 0.05 -1.01 0.98 -2.16 0.00 0.00 0.00 175.10 172.97 2fy5 s PRO 543 N 0.55 4.28 -0.02 2.72 0.04 -1.26 -4.39 135.00 136.93 2fy5 s PRO 543 Ca 0.21 1.31 -0.09 0.00 0.04 0.00 0.00 61.00 62.47 2fy5 s PRO 543 Cb -0.18 -2.46 0.01 0.00 0.04 0.00 0.00 34.50 31.91 2fy5 s PRO 543 CO -0.04 -0.00 0.19 0.95 0.04 0.00 0.00 177.00 178.14 2fy5 s THR 544 N -1.85 0.06 -0.03 1.26 -4.23 -1.26 -5.03 115.64 104.56 2fy5 s THR 544 Ca 0.58 -0.50 -0.14 0.00 -1.18 0.00 0.00 61.69 60.44 2fy5 s THR 544 Cb -0.16 -0.45 -0.32 0.00 1.34 0.00 0.00 72.50 72.91 2fy5 s THR 544 CO 0.21 -0.27 0.77 0.71 -0.54 0.00 0.00 174.62 175.49 2fy5 h THR 545 N 4.29 1.11 -0.19 3.99 1.35 -1.97 -3.47 112.91 118.02 2fy5 h THR 545 Ca -0.29 -2.55 0.00 0.00 -0.55 0.00 0.00 66.41 63.02 2fy5 h THR 545 Cb 1.19 2.89 0.00 0.00 -1.73 0.00 0.00 68.15 70.50 2fy5 h THR 545 CO 0.40 0.81 0.00 0.41 -0.25 0.00 0.00 175.52 176.88 2fy5 n THR 546 N -3.74 0.00 -1.40 6.82 -1.04 -1.26 -4.94 114.28 108.73 2fy5 n THR 546 Ca -0.21 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 61.83 2fy5 n THR 546 Cb 1.03 0.00 0.20 0.00 -1.82 0.00 0.00 70.33 69.74 2fy5 n THR 546 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2fy5 n GLU 547 N -0.38 1.77 -3.73 -2.82 2.13 -1.26 -5.01 120.64 111.33 2fy5 n GLU 547 Ca 0.00 -3.10 -0.21 0.00 0.66 0.00 0.00 57.16 54.52 2fy5 n GLU 547 Cb 0.00 -1.70 -0.03 0.00 0.27 0.00 0.00 31.44 29.98 2fy5 n GLU 547 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2fy5 s MET 548 N -3.14 2.75 0.08 5.31 0.23 -1.26 -4.09 119.30 119.19 2fy5 s MET 548 Ca 0.40 -1.29 -0.21 0.00 -1.03 0.00 0.00 55.69 53.56 2fy5 s MET 548 Cb 0.37 -2.51 0.05 0.00 -1.53 0.00 0.00 34.83 31.20 2fy5 s MET 548 CO -0.01 0.05 0.51 -0.59 -2.03 0.00 0.00 175.02 172.95 2fy5 s PHE 549 N -2.31 -0.40 0.17 3.16 -0.12 -1.01 -4.86 117.98 112.61 2fy5 s PHE 549 Ca 0.43 0.33 0.07 0.00 -0.05 0.00 0.00 56.93 57.70 2fy5 s PHE 549 Cb -0.06 0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 42.65 2fy5 s PHE 549 CO 0.27 -0.69 0.04 0.00 -0.05 0.00 0.00 175.22 174.80 2fy5 s TYR 552 N -3.61 -0.31 0.80 0.00 -0.85 -1.26 -1.30 117.35 110.83 2fy5 s TYR 552 Ca 0.03 0.11 -0.12 0.00 -0.52 0.00 0.00 57.07 56.57 2fy5 s TYR 552 Cb -0.01 0.58 0.08 0.00 0.38 0.00 0.00 41.96 42.98 2fy5 s TYR 552 CO -0.10 -0.69 1.16 0.20 -1.52 0.00 0.00 175.55 174.60 2fy5 s GLY 553 N -2.66 1.59 0.93 5.49 0.00 -0.19 -4.57 107.32 107.92 2fy5 s GLY 553 Ca 0.07 -0.59 -0.12 0.00 0.00 0.00 0.00 44.72 44.07 2fy5 s GLY 553 CO -0.06 -0.12 1.09 -4.14 0.00 0.00 0.00 173.10 169.87 2fy5 s PRO 554 N -5.52 0.98 0.00 2.90 0.02 -1.26 -4.66 135.00 127.46 2fy5 s PRO 554 Ca 0.62 0.80 0.19 0.00 0.02 0.00 0.00 61.00 62.63 2fy5 s PRO 554 Cb -0.11 -1.78 0.08 0.00 0.02 0.00 0.00 34.50 32.71 2fy5 s PRO 554 CO 0.50 -2.42 1.05 1.33 -0.33 0.00 0.00 177.00 177.12 2fy5 n VAL 555 N -4.01 0.00 -3.92 3.83 0.24 -1.26 -4.73 118.33 108.48 2fy5 n VAL 555 Ca 0.07 -0.41 -0.10 0.00 -2.04 0.00 0.00 64.34 61.85 2fy5 n VAL 555 Cb 0.55 1.33 -0.11 0.00 -1.47 0.00 0.00 33.84 34.14 2fy5 n VAL 555 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 2fy5 s VAL 556 N -1.86 0.08 0.47 3.34 -7.23 -1.26 -4.95 120.40 108.99 2fy5 s VAL 556 Ca 0.20 -0.70 0.27 0.00 -1.81 0.00 0.00 61.98 59.94 2fy5 s VAL 556 Cb 0.16 -0.30 0.47 0.00 0.56 0.00 0.00 36.38 37.27 2fy5 s VAL 556 CO 0.34 -0.39 1.78 -0.65 -0.31 0.00 0.00 175.10 175.87 2fy5 h PRO 557 N 4.72 0.19 -0.52 4.82 0.11 -1.98 -0.71 132.00 138.62 2fy5 h PRO 557 Ca -0.30 -0.01 -0.30 0.00 0.11 0.00 0.00 66.00 65.50 2fy5 h PRO 557 Cb 1.20 -0.04 -0.18 0.00 0.11 0.00 0.00 31.00 32.09 2fy5 h PRO 557 CO 0.42 0.13 0.03 0.27 -0.21 0.00 0.00 178.00 178.63 2fy5 n ASN 558 N -4.43 3.19 -4.77 -2.05 6.94 -1.26 -4.53 115.26 108.34 2fy5 n ASN 558 Ca 0.26 -3.77 -0.31 0.00 -0.02 0.00 0.00 54.58 50.74 2fy5 n ASN 558 Cb 1.08 -0.67 -0.07 0.00 -2.36 0.00 0.00 39.78 37.77 2fy5 n ASN 558 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 2fy5 s GLY 559 N -2.41 2.86 0.23 4.83 0.00 -0.28 -4.88 107.32 107.67 2fy5 s GLY 559 Ca 0.48 -0.72 0.12 0.00 0.00 0.00 0.00 44.72 44.60 2fy5 s GLY 559 CO 0.01 -2.14 -0.22 -0.19 0.00 0.00 0.00 173.10 170.56 2fy5 s TYR 560 N -2.84 2.31 -0.19 1.90 1.51 0.18 -4.35 117.35 115.87 2fy5 s TYR 560 Ca 0.14 -0.34 0.01 0.00 -1.01 0.00 0.00 57.07 55.86 2fy5 s TYR 560 Cb 0.02 -1.09 0.03 0.00 -0.11 0.00 0.00 41.96 40.81 2fy5 s TYR 560 CO 0.08 0.58 -0.15 0.20 -1.11 0.00 0.00 175.55 175.15 2fy5 s GLY 561 N -3.00 1.35 -0.27 0.71 0.00 0.10 -1.25 107.32 104.97 2fy5 s GLY 561 Ca 0.24 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 43.73 2fy5 s GLY 561 CO 0.12 0.48 0.02 0.00 0.00 0.00 0.00 173.10 173.72 2fy5 s ALA 562 N 1.33 1.85 -0.21 3.20 0.00 -0.40 -0.24 121.76 127.29 2fy5 s ALA 562 Ca 0.01 -1.54 -0.03 0.00 0.00 0.00 0.00 51.96 50.40 2fy5 s ALA 562 Cb -0.15 -1.53 -0.01 0.00 0.00 0.00 0.00 23.12 21.43 2fy5 s ALA 562 CO -0.10 -1.40 -0.05 0.00 0.00 0.00 0.00 175.76 174.21 2fy5 s TYR 564 N 1.27 2.15 -0.39 0.00 1.13 -0.99 -0.71 117.35 119.80 2fy5 s TYR 564 Ca 0.03 -0.39 0.02 0.00 -1.41 0.00 0.00 57.07 55.32 2fy5 s TYR 564 Cb -0.14 -1.03 0.12 0.00 -1.10 0.00 0.00 41.96 39.80 2fy5 s TYR 564 CO -0.02 0.50 0.17 1.21 -2.51 0.00 0.00 175.55 174.90 2fy5 s ASN 565 N -2.88 4.01 -0.17 -0.18 3.84 -0.35 -1.79 114.94 117.42 2fy5 s ASN 565 Ca 0.22 -2.31 -0.29 0.00 0.21 0.00 0.00 52.86 50.69 2fy5 s ASN 565 Cb -0.06 -1.14 -0.01 0.00 -0.55 0.00 0.00 41.25 39.49 2fy5 s ASN 565 CO 0.10 -0.32 1.15 -2.16 -2.79 0.00 0.00 177.10 173.08 2fy5 s PRO 566 N 0.74 4.27 0.55 0.43 0.04 -1.26 -1.95 135.00 137.82 2fy5 s PRO 566 Ca 0.14 1.52 0.06 0.00 0.04 0.00 0.00 61.00 62.76 2fy5 s PRO 566 Cb -0.22 -3.68 0.06 0.00 0.04 0.00 0.00 34.50 30.70 2fy5 s PRO 566 CO -0.08 -0.62 0.46 1.04 0.04 0.00 0.00 177.00 177.84 2fy5 n GLN 567 N 6.21 0.67 -0.30 4.56 1.13 0.19 -4.90 117.38 124.95 2fy5 n GLN 567 Ca 0.12 -3.39 -0.05 0.00 -1.94 0.00 0.00 57.00 51.75 2fy5 n GLN 567 Cb 0.46 0.29 0.07 0.00 0.11 0.00 0.00 30.24 31.17 2fy5 n GLN 567 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 2fy5 h PRO 568 N 0.00 1.11 0.00 -1.09 0.11 -1.96 0.11 132.00 130.29 2fy5 h PRO 568 Ca -0.34 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2fy5 h PRO 568 Cb 1.27 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2fy5 h PRO 568 CO 0.52 0.81 0.00 0.39 -0.21 0.00 0.00 178.00 179.51 2fy5 n GLU 569 N -4.43 -0.53 -4.19 1.05 -0.58 -1.26 -1.62 120.64 109.08 2fy5 n GLU 569 Ca 0.08 -0.58 -0.11 0.00 -0.42 0.00 0.00 57.16 56.12 2fy5 n GLU 569 Cb 0.08 -0.97 -0.10 0.00 -0.57 0.00 0.00 31.44 29.88 2fy5 n GLU 569 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2fy5 s THR 570 N -0.10 0.02 -0.15 2.62 -4.23 -1.25 -3.30 115.64 109.24 2fy5 s THR 570 Ca 0.00 -1.97 -0.04 0.00 -1.18 0.00 0.00 61.69 58.50 2fy5 s THR 570 Cb 0.00 -2.40 0.07 0.00 1.34 0.00 0.00 72.50 71.51 2fy5 s THR 570 CO 0.00 -0.09 0.18 -0.63 -0.54 0.00 0.00 174.62 173.54 2fy5 s ILE 571 N -4.14 -0.27 -0.18 2.99 1.01 -0.34 -0.64 121.20 119.64 2fy5 s ILE 571 Ca 0.36 0.07 -0.20 0.00 0.00 0.00 0.00 60.65 60.88 2fy5 s ILE 571 Cb 0.07 -0.51 -0.03 0.00 0.01 0.00 0.00 42.46 42.00 2fy5 s ILE 571 CO 0.10 -0.07 0.59 -0.22 0.00 0.00 0.00 174.94 175.34 2fy5 s LEU 572 N 2.29 4.17 -0.20 2.97 2.96 -0.82 -1.23 118.68 128.83 2fy5 s LEU 572 Ca 0.04 0.82 -0.04 0.00 -0.22 0.00 0.00 54.13 54.74 2fy5 s LEU 572 Cb -0.14 -2.83 -0.01 0.00 0.50 0.00 0.00 46.19 43.70 2fy5 s LEU 572 CO -0.09 -0.20 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.33 2fy5 s PHE 573 N 1.60 2.96 -0.34 5.38 0.08 0.49 -1.21 117.98 126.94 2fy5 s PHE 573 Ca 0.28 -0.71 -0.07 0.00 0.12 0.00 0.00 56.93 56.55 2fy5 s PHE 573 Cb -0.16 -2.05 0.03 0.00 -0.57 0.00 0.00 43.02 40.28 2fy5 s PHE 573 CO 0.11 -0.37 0.11 0.00 -0.10 0.00 0.00 175.22 174.97 2fy5 s ILE 575 N 1.43 2.58 0.05 0.00 1.01 -0.63 -1.22 121.20 124.42 2fy5 s ILE 575 Ca -0.01 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 59.85 2fy5 s ILE 575 Cb -0.19 -2.04 -0.02 0.00 0.01 0.00 0.00 42.46 40.22 2fy5 s ILE 575 CO 0.03 0.54 -0.13 -0.94 0.00 0.00 0.00 174.94 174.45 2fy5 s SER 576 N 0.27 1.52 0.37 3.58 1.04 0.67 -1.63 113.70 119.51 2fy5 s SER 576 Ca -0.13 -0.50 -0.13 0.00 0.48 0.00 0.00 55.95 55.68 2fy5 s SER 576 Cb -0.16 -0.07 0.04 0.00 0.10 0.00 0.00 66.02 65.92 2fy5 s SER 576 CO 0.07 -0.03 0.70 -0.94 0.98 0.00 0.00 173.24 174.03 2fy5 s SER 577 N -1.31 0.21 -0.13 7.02 1.04 -0.59 0.03 113.70 119.97 2fy5 s SER 577 Ca -0.01 -1.19 -0.02 0.00 0.48 0.00 0.00 55.95 55.20 2fy5 s SER 577 Cb -0.08 0.80 -0.03 0.00 0.10 0.00 0.00 66.02 66.80 2fy5 s SER 577 CO 0.01 -1.57 -0.04 -0.36 0.98 0.00 0.00 173.24 172.26 2fy5 s PHE 578 N -2.61 3.02 0.28 5.02 2.99 -1.26 -1.22 117.98 124.19 2fy5 s PHE 578 Ca 0.19 -0.19 0.37 0.00 0.00 0.00 0.00 56.93 57.30 2fy5 s PHE 578 Cb -0.04 -1.89 1.81 0.00 0.00 0.00 0.00 43.02 42.90 2fy5 s PHE 578 CO 0.13 0.09 2.11 0.45 -0.00 0.00 0.00 175.22 178.00 2fy5 h HIS 579 N 6.24 0.00 0.00 0.36 3.86 -1.45 -2.25 115.15 121.91 2fy5 h HIS 579 Ca -0.37 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 58.81 2fy5 h HIS 579 Cb 1.19 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.65 2fy5 h HIS 579 CO 0.55 0.00 -0.17 1.03 0.86 0.00 0.00 177.93 180.20 2fy5 h SER 580 N 0.00 0.00 -3.35 2.45 0.87 -1.92 -3.39 113.55 108.21 2fy5 h SER 580 Ca 0.00 0.00 -0.72 0.00 -1.23 0.00 0.00 61.79 59.84 2fy5 h SER 580 Cb 0.22 0.00 -0.21 0.00 -0.44 0.00 0.00 62.40 61.98 2fy5 h SER 580 CO 0.00 0.17 -0.24 0.00 -0.53 0.00 0.00 176.83 176.24 2fy5 h ALA 582 N 8.79 1.52 0.00 0.00 0.00 -1.85 -2.41 119.26 125.31 2fy5 h ALA 582 Ca -0.28 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 2fy5 h ALA 582 Cb 1.11 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2fy5 h ALA 582 CO 0.87 -0.17 -0.63 0.00 0.00 0.00 0.00 179.25 179.32 2fy5 h ALA 583 N 1.82 0.82 -2.71 0.00 0.00 -1.93 -3.45 119.26 113.81 2fy5 h ALA 583 Ca 0.04 -0.57 -0.57 0.00 0.00 0.00 0.00 54.91 53.80 2fy5 h ALA 583 Cb 0.29 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2fy5 h ALA 583 CO -0.00 0.78 -0.48 0.95 0.00 0.00 0.00 179.25 180.50 2fy5 s THR 584 N -3.35 5.34 -0.29 0.00 -4.23 -0.91 -5.01 115.64 107.19 2fy5 s THR 584 Ca 0.00 -0.57 -0.03 0.00 -1.18 0.00 0.00 61.69 59.91 2fy5 s THR 584 Cb 0.11 -3.69 0.17 0.00 1.34 0.00 0.00 72.50 70.44 2fy5 s THR 584 CO 0.75 0.01 0.58 -0.55 -0.54 0.00 0.00 174.62 174.87 2fy5 s SER 585 N -2.93 -1.18 0.41 3.99 0.15 -1.26 -4.91 113.70 107.98 2fy5 s SER 585 Ca 0.35 0.95 0.08 0.00 0.70 0.00 0.00 55.95 58.02 2fy5 s SER 585 Cb -0.12 2.08 0.87 0.00 -1.71 0.00 0.00 66.02 67.14 2fy5 s SER 585 CO 0.28 -0.26 2.03 0.28 1.20 0.00 0.00 173.24 176.78 2fy5 h SER 586 N 8.02 0.40 -0.01 5.45 0.02 -1.91 0.13 113.55 125.65 2fy5 h SER 586 Ca -0.22 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2fy5 h SER 586 Cb 1.15 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.59 2fy5 h SER 586 CO 0.23 0.34 -0.01 0.28 -1.14 0.00 0.00 176.83 176.53 2fy5 h SER 587 N 0.46 0.02 -0.63 3.07 0.02 -1.94 -1.73 113.55 112.82 2fy5 h SER 587 Ca 0.12 -0.44 -0.02 0.00 -0.84 0.00 0.00 61.79 60.61 2fy5 h SER 587 Cb 0.03 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 2fy5 h SER 587 CO -0.02 0.45 0.31 0.11 -1.14 0.00 0.00 176.83 176.55 2fy5 h LYS 588 N -0.41 0.94 -0.26 3.45 1.57 -1.90 -0.94 116.57 119.02 2fy5 h LYS 588 Ca 0.00 -0.13 -0.13 0.00 -1.87 0.00 0.00 60.65 58.52 2fy5 h LYS 588 Cb 0.45 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2fy5 h LYS 588 CO 0.00 0.73 -0.39 0.35 -0.57 0.00 0.00 179.45 179.57 2fy5 h PHE 589 N 0.93 0.71 -0.42 -1.35 3.57 -0.74 0.30 116.94 119.95 2fy5 h PHE 589 Ca 0.23 -0.20 -0.13 0.00 3.53 0.00 0.00 57.97 61.40 2fy5 h PHE 589 Cb 0.10 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 2fy5 h PHE 589 CO 0.01 0.90 -0.23 0.00 -2.23 0.00 0.00 178.31 176.76 2fy5 h ALA 590 N 1.08 0.60 -0.05 2.41 0.00 -0.85 -1.12 119.26 121.32 2fy5 h ALA 590 Ca 0.05 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2fy5 h ALA 590 Cb 0.89 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2fy5 h ALA 590 CO 0.08 0.58 0.03 -0.22 0.00 0.00 0.00 179.25 179.72 2fy5 h LYS 591 N 0.72 0.07 0.00 0.00 1.63 -1.02 -1.76 116.57 116.22 2fy5 h LYS 591 Ca 0.09 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.88 2fy5 h LYS 591 Cb 0.80 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.41 2fy5 h LYS 591 CO 0.07 0.10 -0.00 0.00 -3.45 0.00 0.00 179.45 176.16 2fy5 h ALA 592 N 0.97 1.29 0.05 5.00 0.00 -0.66 -1.03 119.26 124.88 2fy5 h ALA 592 Ca 0.02 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2fy5 h ALA 592 Cb 0.05 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.85 2fy5 h ALA 592 CO -0.00 0.00 -0.52 0.28 0.00 0.00 0.00 179.25 179.01 2fy5 h VAL 593 N 0.00 1.54 -0.09 0.00 2.07 -0.52 -2.13 116.25 117.12 2fy5 h VAL 593 Ca -0.00 -2.26 0.04 0.00 0.82 0.00 0.00 66.70 65.29 2fy5 h VAL 593 Cb 0.01 2.99 -0.05 0.00 -1.52 0.00 0.00 31.29 32.72 2fy5 h VAL 593 CO 0.00 0.63 -0.18 -0.08 0.02 0.00 0.00 177.57 177.96 2fy5 h GLU 594 N -0.43 -0.24 -0.51 1.57 4.81 -0.63 0.65 114.58 119.80 2fy5 h GLU 594 Ca -0.08 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2fy5 h GLU 594 Cb 1.32 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.73 2fy5 h GLU 594 CO 0.10 -0.16 0.30 0.93 -0.73 0.00 0.00 179.01 179.45 2fy5 h GLU 595 N -0.25 0.68 -0.34 1.92 5.08 -1.29 -1.12 114.58 119.26 2fy5 h GLU 595 Ca 0.08 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 2fy5 h GLU 595 Cb 0.37 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2fy5 h GLU 595 CO -0.24 0.49 -0.23 0.77 -1.00 0.00 0.00 179.01 178.80 2fy5 h SER 596 N 0.70 0.79 -0.34 1.42 0.02 -0.60 -1.61 113.55 113.92 2fy5 h SER 596 Ca 0.18 -0.43 -0.04 0.00 -0.84 0.00 0.00 61.79 60.66 2fy5 h SER 596 Cb -0.02 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 2fy5 h SER 596 CO -0.03 1.05 0.08 -0.07 -1.14 0.00 0.00 176.83 176.72 2fy5 h LEU 597 N 0.54 0.60 -0.29 5.07 3.38 -0.27 -2.00 115.31 122.33 2fy5 h LEU 597 Ca 0.07 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2fy5 h LEU 597 Cb 0.78 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2fy5 h LEU 597 CO 0.06 0.62 -0.09 0.40 0.09 0.00 0.00 178.44 179.52 2fy5 h ILE 598 N 0.62 1.29 -0.76 1.22 1.08 -1.07 -2.06 117.51 117.84 2fy5 h ILE 598 Ca 0.14 -1.14 -0.03 0.00 -0.39 0.00 0.00 64.86 63.44 2fy5 h ILE 598 Cb 0.28 1.43 -0.03 0.00 -3.07 0.00 0.00 36.82 35.42 2fy5 h ILE 598 CO 0.00 0.36 0.37 0.44 -0.69 0.00 0.00 178.15 178.63 2fy5 h ASP 599 N 0.33 0.99 0.12 1.72 3.45 -1.09 -1.79 116.42 120.15 2fy5 h ASP 599 Ca 0.07 -0.13 -0.12 0.00 0.43 0.00 0.00 57.03 57.28 2fy5 h ASP 599 Cb 0.59 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 39.09 2fy5 h ASP 599 CO 0.03 0.84 -0.41 0.24 -1.57 0.00 0.00 179.24 178.37 2fy5 h MET 600 N 1.06 0.38 -0.50 3.56 2.86 -1.33 -0.02 114.93 120.94 2fy5 h MET 600 Ca 0.26 -0.19 -0.10 0.00 -2.06 0.00 0.00 59.70 57.61 2fy5 h MET 600 Cb 0.11 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 2fy5 h MET 600 CO -0.03 0.73 -0.09 -0.09 1.06 0.00 0.00 176.91 178.49 2fy5 h ARG 601 N 0.31 0.91 -0.38 1.72 2.43 -1.11 -1.92 114.38 116.35 2fy5 h ARG 601 Ca 0.03 -0.31 -0.06 0.00 -0.81 0.00 0.00 59.98 58.83 2fy5 h ARG 601 Cb 0.86 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 2fy5 h ARG 601 CO 0.07 0.96 -0.00 -0.44 -1.51 0.00 0.00 179.97 179.05 2fy5 h ASP 602 N 0.82 0.65 -0.34 -3.80 3.32 -0.82 -1.75 116.42 114.51 2fy5 h ASP 602 Ca 0.14 -0.31 -0.04 0.00 0.02 0.00 0.00 57.03 56.84 2fy5 h ASP 602 Cb 0.61 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 2fy5 h ASP 602 CO 0.04 0.80 0.09 -0.07 -1.72 0.00 0.00 179.24 178.39 2fy5 h LEU 603 N 0.49 0.58 -0.17 1.55 3.38 -0.89 -2.14 115.31 118.11 2fy5 h LEU 603 Ca 0.11 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2fy5 h LEU 603 Cb 0.47 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2fy5 h LEU 603 CO 0.02 0.59 0.00 0.00 0.09 0.00 0.00 178.44 179.14 2fy5 n SER 605 N -2.42 4.67 0.00 0.00 7.64 -0.68 -4.82 113.62 118.01 2fy5 n SER 605 Ca 0.05 -3.26 0.00 0.00 1.01 0.00 0.00 58.87 56.66 2fy5 n SER 605 Cb 0.41 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 2fy5 n SER 605 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2fy5 n LEU 606 N -0.26 0.00 0.00 -3.43 4.77 -1.22 -5.03 117.00 111.83 2fy5 n LEU 606 Ca 0.41 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 2fy5 n LEU 606 Cb 1.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.46 2fy5 n LEU 606 CO 0.43 0.00 0.00 -0.11 -1.33 0.00 0.00 177.39 176.38