#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khm n THR 25 N 0.00 0.00 -3.46 3.15 -1.04 -1.26 -4.98 114.28 106.69 3khm n THR 25 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 3khm n THR 25 Cb 0.00 -0.23 -0.03 0.00 -1.82 0.00 0.00 70.33 68.25 3khm n THR 25 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3khm s SER 26 N 0.79 -0.56 0.00 8.00 1.04 -1.26 -5.04 113.70 116.67 3khm s SER 26 Ca 0.00 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.63 3khm s SER 26 Cb 0.00 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.67 3khm s SER 26 CO 0.00 -0.81 0.71 0.61 0.98 0.00 0.00 173.24 174.72 3khm n GLY 27 N 0.00 0.21 2.50 7.32 0.00 -1.26 -4.99 105.19 108.97 3khm n GLY 27 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 3khm n GLY 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3khm n LYS 28 N -0.24 4.14 -3.32 1.61 5.02 -1.26 -4.92 118.16 119.19 3khm n LYS 28 Ca 0.00 -3.10 -0.42 0.00 -2.02 0.00 0.00 58.31 52.77 3khm n LYS 28 Cb 0.33 -2.75 -0.09 0.00 -0.02 0.00 0.00 35.03 32.50 3khm n LYS 28 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3khm s GLY 29 N 1.06 1.87 0.85 0.72 0.00 -1.26 -5.07 107.32 105.49 3khm s GLY 29 Ca 0.56 -1.37 -0.12 0.00 0.00 0.00 0.00 44.72 43.79 3khm s GLY 29 CO -0.07 1.16 1.11 1.25 0.00 0.00 0.00 173.10 176.54 3khm s LYS 30 N 2.18 1.64 -0.03 2.90 2.20 -1.26 -4.98 119.74 122.39 3khm s LYS 30 Ca 0.13 0.58 0.01 0.00 -0.36 0.00 0.00 55.97 56.33 3khm s LYS 30 Cb -0.17 -1.87 0.03 0.00 -1.51 0.00 0.00 37.83 34.31 3khm s LYS 30 CO 0.13 -1.92 -0.00 -1.17 -0.36 0.00 0.00 175.35 172.03 3khm s LEU 31 N -5.95 1.22 0.57 5.43 1.98 -1.26 -3.10 118.68 117.57 3khm s LEU 31 Ca 0.62 -0.03 -0.19 0.00 -2.89 0.00 0.00 54.13 51.64 3khm s LEU 31 Cb -0.15 -0.23 -0.04 0.00 0.66 0.00 0.00 46.19 46.42 3khm s LEU 31 CO 0.55 -0.09 1.19 -2.16 -1.89 0.00 0.00 176.35 173.95 3khm s PRO 32 N 0.96 3.10 0.25 0.98 0.04 -1.26 -4.90 135.00 134.17 3khm s PRO 32 Ca -0.10 1.79 -0.30 0.00 0.04 0.00 0.00 61.00 62.43 3khm s PRO 32 Cb -0.13 -1.98 -0.15 0.00 0.04 0.00 0.00 34.50 32.28 3khm s PRO 32 CO -0.01 -1.09 1.08 -2.30 0.04 0.00 0.00 177.00 174.72 3khm n PRO 33 N -1.45 1.33 -4.05 0.56 -0.02 -1.26 -4.50 135.00 125.61 3khm n PRO 33 Ca 0.13 0.47 -0.35 0.00 -2.02 0.00 0.00 63.50 61.73 3khm n PRO 33 Cb 0.50 -1.90 -0.09 0.00 -0.02 0.00 0.00 33.50 31.99 3khm n PRO 33 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3khm s VAL 34 N -0.70 4.86 -0.02 -1.45 1.01 -1.26 -2.00 120.40 120.83 3khm s VAL 34 Ca 0.64 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.30 3khm s VAL 34 Cb -0.75 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 3khm s VAL 34 CO 0.57 0.52 1.06 -0.47 0.00 0.00 0.00 175.10 176.78 3khm s TYR 35 N -0.19 3.52 0.11 5.22 5.04 -1.17 -4.99 117.35 124.90 3khm s TYR 35 Ca 0.08 1.54 -0.31 0.00 -2.44 0.00 0.00 57.07 55.94 3khm s TYR 35 Cb -0.12 -3.23 -0.09 0.00 0.35 0.00 0.00 41.96 38.87 3khm s TYR 35 CO 0.01 -0.46 1.51 -1.25 -1.34 0.00 0.00 175.55 174.02 3khm s PRO 36 N 1.41 4.25 -0.16 4.97 0.04 -1.26 -4.82 135.00 139.43 3khm s PRO 36 Ca 0.53 2.22 -0.10 0.00 0.04 0.00 0.00 61.00 63.69 3khm s PRO 36 Cb -0.22 -3.32 -0.05 0.00 0.04 0.00 0.00 34.50 30.95 3khm s PRO 36 CO 0.25 -0.57 0.18 0.14 0.04 0.00 0.00 177.00 177.04 3khm s VAL 37 N 1.58 5.40 0.17 -0.36 -7.23 -1.26 -4.99 120.40 113.70 3khm s VAL 37 Ca 0.68 0.30 -0.08 0.00 -1.81 0.00 0.00 61.98 61.08 3khm s VAL 37 Cb -0.39 -3.50 -0.03 0.00 0.56 0.00 0.00 36.38 33.02 3khm s VAL 37 CO 0.31 0.48 1.52 0.74 -0.31 0.00 0.00 175.10 177.83 3khm h THR 38 N 4.45 1.28 -3.72 5.32 2.02 -1.94 -3.40 112.91 116.92 3khm h THR 38 Ca -0.45 -1.56 -0.64 0.00 0.77 0.00 0.00 66.41 64.53 3khm h THR 38 Cb 1.18 1.43 -0.37 0.00 -1.74 0.00 0.00 68.15 68.64 3khm h THR 38 CO 0.71 0.51 -0.80 0.68 0.37 0.00 0.00 175.52 176.99 3khm s VAL 39 N -4.35 1.86 0.19 3.16 -7.23 -1.26 -5.02 120.40 107.75 3khm s VAL 39 Ca -0.10 -1.40 -0.12 0.00 -1.81 0.00 0.00 61.98 58.55 3khm s VAL 39 Cb 0.12 -2.03 0.10 0.00 0.56 0.00 0.00 36.38 35.13 3khm s VAL 39 CO 0.86 -0.03 1.84 -0.65 -0.31 0.00 0.00 175.10 176.81 3khm h PRO 40 N 7.87 0.73 -0.27 4.82 0.11 -1.91 -2.72 132.00 140.62 3khm h PRO 40 Ca -0.20 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 65.68 3khm h PRO 40 Cb 1.06 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 3khm h PRO 40 CO 0.45 0.48 -0.56 0.35 -0.21 0.00 0.00 178.00 178.51 3khm h PHE 41 N 0.75 1.05 -0.61 0.65 3.04 -1.98 -3.27 116.94 116.57 3khm h PHE 41 Ca 0.23 -0.38 -0.08 0.00 3.98 0.00 0.00 57.97 61.73 3khm h PHE 41 Cb -0.01 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 38.28 3khm h PHE 41 CO -0.05 1.20 0.06 1.25 -2.02 0.00 0.00 178.31 178.75 3khm h LEU 42 N 0.64 0.98 0.00 0.59 7.12 -1.97 -3.43 115.31 119.23 3khm h LEU 42 Ca 0.01 -0.24 0.00 0.00 0.13 0.00 0.00 57.88 57.78 3khm h LEU 42 Cb 1.16 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 41.03 3khm h LEU 42 CO 0.12 1.00 0.00 0.61 -0.13 0.00 0.00 178.44 180.04 3khm n GLY 43 N -0.58 -1.60 0.77 3.75 0.00 -1.04 -4.23 105.19 102.27 3khm n GLY 43 Ca 0.04 -1.33 0.08 0.00 0.00 0.00 0.00 46.02 44.81 3khm n GLY 43 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3khm n HIS 44 N -0.01 0.23 -0.35 1.61 -0.00 -1.22 -4.72 115.22 110.77 3khm n HIS 44 Ca 0.00 -0.17 0.24 0.00 -0.00 0.00 0.00 57.72 57.80 3khm n HIS 44 Cb 0.00 -0.01 0.49 0.00 -0.00 0.00 0.00 29.99 30.48 3khm n HIS 44 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 3khm h ILE 45 N 3.22 0.36 -0.75 1.59 1.08 -1.89 0.17 117.51 121.29 3khm h ILE 45 Ca 0.00 -0.12 -0.03 0.00 -0.39 0.00 0.00 64.86 64.32 3khm h ILE 45 Cb 0.75 -0.02 -0.03 0.00 -3.07 0.00 0.00 36.82 34.44 3khm h ILE 45 CO 0.00 0.06 0.37 1.62 -0.69 0.00 0.00 178.15 179.51 3khm h VAL 46 N 0.35 1.24 0.07 1.67 3.04 -1.86 -2.42 116.25 118.34 3khm h VAL 46 Ca 0.70 -0.67 -0.13 0.00 -1.01 0.00 0.00 66.70 65.60 3khm h VAL 46 Cb 1.70 0.29 0.01 0.00 -2.01 0.00 0.00 31.29 31.28 3khm h VAL 46 CO -0.50 0.28 -0.53 1.56 -1.01 0.00 0.00 177.57 177.38 3khm h GLN 47 N 1.06 0.24 -0.13 4.17 4.20 -1.26 -3.28 115.11 120.11 3khm h GLN 47 Ca 0.26 -0.35 0.04 0.00 0.06 0.00 0.00 58.65 58.66 3khm h GLN 47 Cb 0.11 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 3khm h GLN 47 CO -0.03 1.12 0.17 0.35 -0.67 0.00 0.00 178.83 179.77 3khm h PHE 48 N -0.46 0.00 0.03 2.96 3.57 -0.73 -1.99 116.94 120.32 3khm h PHE 48 Ca -0.09 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.33 3khm h PHE 48 Cb 1.36 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.10 3khm h PHE 48 CO 0.20 0.00 -0.40 0.78 -2.23 0.00 0.00 178.31 176.66 3khm h GLY 49 N 0.00 0.07 0.80 2.40 0.00 -1.54 -3.14 103.07 101.67 3khm h GLY 49 Ca 0.06 -0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.22 3khm h GLY 49 CO -0.00 0.17 -0.01 0.50 0.00 0.00 0.00 176.54 177.19 3khm h LYS 50 N -0.85 0.02 -1.11 4.80 1.79 -1.42 -3.41 116.57 116.39 3khm h LYS 50 Ca -0.09 -0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.30 3khm h LYS 50 Cb 1.20 -0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.64 3khm h LYS 50 CO -0.00 0.01 -0.46 1.21 -1.08 0.00 0.00 179.45 179.13 3khm s ASN 51 N -5.21 -1.25 0.30 0.86 3.84 -1.05 -4.77 114.94 107.66 3khm s ASN 51 Ca -0.13 -0.70 0.02 0.00 0.21 0.00 0.00 52.86 52.26 3khm s ASN 51 Cb 0.08 1.83 0.47 0.00 -0.55 0.00 0.00 41.25 43.08 3khm s ASN 51 CO 0.67 -0.20 1.80 1.55 -2.79 0.00 0.00 177.10 178.13 3khm h PRO 52 N 7.19 0.60 0.53 0.43 0.13 -1.73 -2.99 132.00 136.15 3khm h PRO 52 Ca 0.04 -0.16 -0.02 0.00 -0.87 0.00 0.00 66.00 64.99 3khm h PRO 52 Cb 1.17 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 3khm h PRO 52 CO 0.12 0.66 -0.46 1.25 -0.23 0.00 0.00 178.00 179.34 3khm h LEU 53 N 0.56 -1.24 -0.85 1.56 5.85 -1.95 0.92 115.31 120.16 3khm h LEU 53 Ca 0.11 0.09 0.11 0.00 0.84 0.00 0.00 57.88 59.03 3khm h LEU 53 Cb 0.45 0.40 -0.08 0.00 0.37 0.00 0.00 40.66 41.79 3khm h LEU 53 CO 0.02 -0.63 0.48 -0.08 -0.34 0.00 0.00 178.44 177.89 3khm h GLU 54 N -0.97 0.74 0.70 1.25 4.81 -1.97 0.14 114.58 119.28 3khm h GLU 54 Ca -0.07 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.08 3khm h GLU 54 Cb 0.82 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 30.04 3khm h GLU 54 CO -0.02 0.49 -0.33 0.35 -0.73 0.00 0.00 179.01 178.77 3khm h PHE 55 N 0.77 -0.87 -0.86 0.92 3.57 -1.30 0.13 116.94 119.31 3khm h PHE 55 Ca 0.42 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.92 3khm h PHE 55 Cb 0.45 0.29 -0.05 0.00 2.79 0.00 0.00 35.95 39.43 3khm h PHE 55 CO -0.06 -0.52 0.56 0.52 -2.23 0.00 0.00 178.31 176.58 3khm h MET 56 N -1.02 1.10 0.00 1.11 2.86 -0.62 -0.42 114.93 117.94 3khm h MET 56 Ca -0.10 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 3khm h MET 56 Cb 0.74 -0.25 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 3khm h MET 56 CO 0.16 0.73 -0.12 0.37 1.06 0.00 0.00 176.91 179.11 3khm h GLN 57 N 1.13 0.00 0.01 1.72 5.75 -0.57 -0.85 115.11 122.30 3khm h GLN 57 Ca 0.32 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.74 3khm h GLN 57 Cb -0.08 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.47 3khm h GLN 57 CO -0.09 0.12 -0.34 -0.09 -2.65 0.00 0.00 178.83 175.78 3khm h ARG 58 N 0.00 0.21 -0.30 1.69 2.43 0.38 -2.69 114.38 116.10 3khm h ARG 58 Ca -0.00 -0.24 0.06 0.00 -0.81 0.00 0.00 59.98 58.99 3khm h ARG 58 Cb 0.21 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.78 3khm h ARG 58 CO 0.02 0.98 -0.08 0.00 -1.51 0.00 0.00 179.97 179.38 3khm h LYS 60 N -0.00 0.93 -0.01 0.00 3.64 -1.25 -0.81 116.57 119.08 3khm h LYS 60 Ca 0.14 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3khm h LYS 60 Cb 0.22 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3khm h LYS 60 CO -0.31 0.62 -0.00 -0.09 -2.27 0.00 0.00 179.45 177.39 3khm h ARG 61 N 0.96 0.02 -0.00 1.90 2.43 -1.06 -2.91 114.38 115.71 3khm h ARG 61 Ca 0.34 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.38 3khm h ARG 61 Cb 0.09 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 3khm h ARG 61 CO -0.14 0.45 -0.58 -0.44 -1.51 0.00 0.00 179.97 177.74 3khm h ASP 62 N -0.42 0.01 -0.36 -3.80 3.32 -0.81 -2.84 116.42 111.53 3khm h ASP 62 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3khm h ASP 62 Cb 0.44 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3khm h ASP 62 CO 0.00 0.59 0.00 0.18 -1.72 0.00 0.00 179.24 178.29 3khm n LEU 63 N -3.85 2.27 -3.93 1.55 4.32 -0.32 -4.92 117.00 112.12 3khm n LEU 63 Ca -0.01 -1.07 -0.31 0.00 -0.02 0.00 0.00 56.01 54.60 3khm n LEU 63 Cb 0.58 -0.23 -0.05 0.00 -1.62 0.00 0.00 43.42 42.10 3khm n LEU 63 CO 0.42 0.53 -0.09 0.29 -1.22 0.00 0.00 177.39 177.32 3khm n LYS 64 N 0.72 -1.88 -3.68 3.23 4.01 -1.07 -4.89 118.16 114.60 3khm n LYS 64 Ca 0.16 0.19 -0.10 0.00 -0.51 0.00 0.00 58.31 58.05 3khm n LYS 64 Cb 0.38 -4.79 -0.10 0.00 -0.51 0.00 0.00 35.03 30.01 3khm n LYS 64 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 3khm s SER 65 N -2.93 -0.58 0.42 4.39 0.15 -1.11 -5.02 113.70 109.02 3khm s SER 65 Ca 0.60 1.01 0.22 0.00 0.70 0.00 0.00 55.95 58.48 3khm s SER 65 Cb -0.34 0.93 0.87 0.00 -1.71 0.00 0.00 66.02 65.77 3khm s SER 65 CO 0.73 -0.20 1.81 1.23 1.20 0.00 0.00 173.24 178.01 3khm h GLY 66 N 7.18 0.00 -7.51 9.45 0.00 -1.85 -3.41 103.07 106.94 3khm h GLY 66 Ca -0.34 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.33 3khm h GLY 66 CO 0.26 0.00 -0.58 0.14 0.00 0.00 0.00 176.54 176.36 3khm s VAL 67 N -3.70 4.59 0.11 4.60 1.01 -1.26 -1.27 120.40 124.48 3khm s VAL 67 Ca -0.00 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 61.69 3khm s VAL 67 Cb 0.11 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 3khm s VAL 67 CO 0.65 0.21 0.18 0.72 0.00 0.00 0.00 175.10 176.86 3khm s PHE 68 N 1.64 0.31 -0.15 5.22 -0.12 -1.00 -4.42 117.98 119.47 3khm s PHE 68 Ca 0.06 -0.74 0.02 0.00 -0.05 0.00 0.00 56.93 56.21 3khm s PHE 68 Cb -0.16 -0.13 0.02 0.00 -0.63 0.00 0.00 43.02 42.11 3khm s PHE 68 CO 0.06 -0.57 -0.19 -0.08 -0.05 0.00 0.00 175.22 174.40 3khm s THR 69 N -3.91 1.86 0.27 -4.49 -1.32 -0.85 0.92 115.64 108.12 3khm s THR 69 Ca 0.10 -0.84 0.10 0.00 -1.21 0.00 0.00 61.69 59.84 3khm s THR 69 Cb 0.05 -1.68 -0.04 0.00 -1.51 0.00 0.00 72.50 69.32 3khm s THR 69 CO -0.07 0.51 -0.01 0.27 -2.21 0.00 0.00 174.62 173.11 3khm s ILE 70 N 1.10 3.35 -0.25 5.08 -4.36 0.26 -3.02 121.20 123.37 3khm s ILE 70 Ca -0.02 -1.93 -0.03 0.00 -0.26 0.00 0.00 60.65 58.41 3khm s ILE 70 Cb -0.14 -2.83 0.01 0.00 1.25 0.00 0.00 42.46 40.75 3khm s ILE 70 CO -0.06 -0.36 -0.03 -0.55 0.24 0.00 0.00 174.94 174.18 3khm s SER 71 N -3.68 4.47 0.81 4.36 0.15 -1.26 -0.64 113.70 117.91 3khm s SER 71 Ca 0.32 -0.67 -0.11 0.00 0.70 0.00 0.00 55.95 56.18 3khm s SER 71 Cb -0.06 -1.73 0.08 0.00 -1.71 0.00 0.00 66.02 62.60 3khm s SER 71 CO 0.20 -0.10 1.13 -0.63 1.20 0.00 0.00 173.24 175.03 3khm s ILE 72 N 1.41 2.71 -0.27 6.45 1.09 -1.22 -3.42 121.20 127.96 3khm s ILE 72 Ca 0.03 0.26 -0.42 0.00 -1.10 0.00 0.00 60.65 59.41 3khm s ILE 72 Cb -0.16 -2.58 -0.17 0.00 -1.06 0.00 0.00 42.46 38.49 3khm s ILE 72 CO -0.03 -0.28 1.59 0.61 -0.10 0.00 0.00 174.94 176.73 3khm n GLY 73 N -0.41 0.51 3.65 6.18 0.00 -1.26 -0.47 105.19 113.38 3khm n GLY 73 Ca 0.11 0.91 -0.28 0.00 0.00 0.00 0.00 46.02 46.76 3khm n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3khm n GLY 74 N 3.68 -0.49 3.19 -0.02 0.00 -1.26 -4.95 105.19 105.33 3khm n GLY 74 Ca 0.26 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.31 3khm n GLY 74 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3khm s GLN 75 N -6.34 0.61 -0.22 1.61 2.00 0.38 -5.15 119.66 112.54 3khm s GLN 75 Ca 0.55 -0.27 -0.08 0.00 -2.00 0.00 0.00 55.36 53.55 3khm s GLN 75 Cb -0.28 0.26 -0.04 0.00 0.80 0.00 0.00 33.01 33.76 3khm s GLN 75 CO 0.67 -0.16 0.10 1.03 -0.50 0.00 0.00 175.29 176.43 3khm s ARG 76 N -1.36 3.91 -0.13 1.67 0.52 -1.26 -3.43 118.95 118.87 3khm s ARG 76 Ca -0.14 -0.36 -0.02 0.00 -0.52 0.00 0.00 55.73 54.69 3khm s ARG 76 Cb -0.06 -3.36 0.04 0.00 0.52 0.00 0.00 34.95 32.10 3khm s ARG 76 CO 0.03 0.06 0.02 0.08 0.02 0.00 0.00 175.30 175.52 3khm s VAL 77 N 0.98 0.41 -0.25 3.52 1.01 0.19 -2.09 120.40 124.16 3khm s VAL 77 Ca 0.05 -0.18 -0.09 0.00 0.00 0.00 0.00 61.98 61.76 3khm s VAL 77 Cb -0.14 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 3khm s VAL 77 CO 0.03 0.03 0.14 -0.89 0.00 0.00 0.00 175.10 174.41 3khm s THR 78 N 1.94 5.00 -0.28 3.92 2.01 -0.01 0.90 115.64 129.12 3khm s THR 78 Ca 0.02 0.06 -0.11 0.00 0.31 0.00 0.00 61.69 61.97 3khm s THR 78 Cb -0.14 -3.34 -0.05 0.00 0.01 0.00 0.00 72.50 68.97 3khm s THR 78 CO -0.07 0.32 0.21 -0.63 -0.69 0.00 0.00 174.62 173.77 3khm s ILE 79 N 1.38 5.29 -1.09 1.82 1.01 0.26 -0.26 121.20 129.62 3khm s ILE 79 Ca 0.06 0.22 -0.21 0.00 0.00 0.00 0.00 60.65 60.73 3khm s ILE 79 Cb -0.15 -3.55 0.07 0.00 0.01 0.00 0.00 42.46 38.85 3khm s ILE 79 CO 0.06 0.24 1.47 -0.69 0.00 0.00 0.00 174.94 176.03 3khm s VAL 80 N 1.80 4.16 -0.36 2.92 1.01 -0.29 -2.37 120.40 127.26 3khm s VAL 80 Ca 0.08 -1.28 0.08 0.00 0.00 0.00 0.00 61.98 60.85 3khm s VAL 80 Cb -0.16 -5.05 0.66 0.00 0.00 0.00 0.00 36.38 31.83 3khm s VAL 80 CO 0.11 -1.88 1.76 0.61 0.00 0.00 0.00 175.10 175.70 3khm n GLY 81 N 6.15 4.28 3.05 4.51 0.00 -0.39 -4.31 105.19 118.47 3khm n GLY 81 Ca 0.36 -1.09 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 3khm n GLY 81 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3khm s ASP 82 N -1.50 4.53 0.40 1.61 -1.08 -1.21 -4.71 116.67 114.71 3khm s ASP 82 Ca 0.53 -1.62 0.21 0.00 -0.52 0.00 0.00 52.55 51.15 3khm s ASP 82 Cb 0.44 -1.56 1.17 0.00 -1.46 0.00 0.00 42.92 41.51 3khm s ASP 82 CO 0.09 -0.25 1.73 -0.65 0.52 0.00 0.00 175.17 176.61 3khm h PRO 83 N 7.73 0.31 0.00 4.34 0.11 -1.90 0.56 132.00 143.15 3khm h PRO 83 Ca -0.15 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.94 3khm h PRO 83 Cb 1.03 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 3khm h PRO 83 CO 0.48 0.21 -0.01 0.45 -0.21 0.00 0.00 178.00 178.92 3khm h HIS 84 N 0.32 0.00 -0.40 0.65 3.86 -1.95 -2.89 115.15 114.75 3khm h HIS 84 Ca 0.66 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.87 3khm h HIS 84 Cb 1.76 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.23 3khm h HIS 84 CO -0.00 0.01 0.00 0.39 0.86 0.00 0.00 177.93 179.18 3khm n GLU 85 N -3.23 2.43 -0.33 2.45 -0.58 0.20 -4.50 120.64 117.07 3khm n GLU 85 Ca -0.03 -2.13 0.06 0.00 -0.42 0.00 0.00 57.16 54.65 3khm n GLU 85 Cb 0.11 -1.39 0.25 0.00 -0.57 0.00 0.00 31.44 29.84 3khm n GLU 85 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3khm h HIS 86 N 3.17 1.07 -0.54 -0.32 3.86 -1.58 -0.67 115.15 120.15 3khm h HIS 86 Ca 0.00 0.03 0.11 0.00 -1.16 0.00 0.00 60.37 59.35 3khm h HIS 86 Cb 0.82 -0.35 -0.10 0.00 1.06 0.00 0.00 27.41 28.84 3khm h HIS 86 CO 0.26 0.48 -0.14 0.77 0.86 0.00 0.00 177.93 180.16 3khm h SER 87 N 0.98 -0.53 -0.11 2.45 0.02 -1.85 -0.13 113.55 114.39 3khm h SER 87 Ca 0.45 0.16 0.03 0.00 -0.84 0.00 0.00 61.79 61.60 3khm h SER 87 Cb 0.40 0.34 -0.00 0.00 0.14 0.00 0.00 62.40 63.28 3khm h SER 87 CO -0.21 -0.19 0.29 0.03 -1.14 0.00 0.00 176.83 175.61 3khm h ARG 88 N -0.01 0.00 0.00 3.45 2.47 -1.45 -1.11 114.38 117.73 3khm h ARG 88 Ca 0.26 0.00 -0.40 0.00 -1.26 0.00 0.00 59.98 58.58 3khm h ARG 88 Cb 0.40 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.65 3khm h ARG 88 CO -0.56 0.00 -2.49 0.34 0.56 0.00 0.00 179.97 177.82 3khm n PHE 89 N -3.22 0.00 0.29 3.04 7.35 -0.18 -4.55 117.46 120.19 3khm n PHE 89 Ca 0.00 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.81 3khm n PHE 89 Cb 0.38 -1.00 0.02 0.00 0.35 0.00 0.00 39.48 39.22 3khm n PHE 89 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 3khm n PHE 90 N -3.34 0.62 0.01 -5.13 3.01 -0.52 -4.39 117.46 107.72 3khm n PHE 90 Ca -0.47 0.18 -0.18 0.00 1.01 0.00 0.00 57.45 57.99 3khm n PHE 90 Cb 0.98 -0.73 -0.14 0.00 -0.01 0.00 0.00 39.48 39.58 3khm n PHE 90 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3khm h SER 91 N 0.00 0.33 -3.82 4.37 4.64 -1.45 -1.34 113.55 116.27 3khm h SER 91 Ca 0.00 -0.68 -0.55 0.00 -0.47 0.00 0.00 61.79 60.09 3khm h SER 91 Cb 0.89 -0.11 0.11 0.00 -0.31 0.00 0.00 62.40 62.99 3khm h SER 91 CO 0.00 1.60 0.71 -2.65 -0.87 0.00 0.00 176.83 175.62 3khm n PRO 92 N -3.38 2.49 -1.96 4.77 -0.02 -1.26 -4.67 135.00 130.97 3khm n PRO 92 Ca -0.26 0.87 -0.30 0.00 -2.02 0.00 0.00 63.50 61.79 3khm n PRO 92 Cb 1.05 -2.60 0.01 0.00 -0.02 0.00 0.00 33.50 31.95 3khm n PRO 92 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3khm s ARG 93 N -2.14 3.49 0.40 -0.52 0.52 -1.26 -4.69 118.95 114.74 3khm s ARG 93 Ca 0.55 0.65 0.21 0.00 -0.52 0.00 0.00 55.73 56.62 3khm s ARG 93 Cb -0.49 -2.10 1.18 0.00 0.52 0.00 0.00 34.95 34.06 3khm s ARG 93 CO 0.62 -0.60 1.71 -0.91 0.02 0.00 0.00 175.30 176.15 3khm h ASN 94 N -0.31 0.41 -0.97 0.23 2.35 -1.94 0.27 115.58 115.61 3khm h ASN 94 Ca -0.44 0.12 0.20 0.00 -0.55 0.00 0.00 56.30 55.62 3khm h ASN 94 Cb 1.20 0.06 -0.09 0.00 0.05 0.00 0.00 38.32 39.55 3khm h ASN 94 CO 0.62 -0.02 0.61 -0.33 -1.65 0.00 0.00 177.43 176.66 3khm h GLU 95 N 0.30 0.59 0.00 0.81 4.39 -2.00 -2.94 114.58 115.74 3khm h GLU 95 Ca 0.68 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 60.34 3khm h GLU 95 Cb 1.83 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 30.34 3khm h GLU 95 CO -0.38 0.39 -0.39 0.82 -1.16 0.00 0.00 179.01 178.29 3khm h ILE 96 N 0.61 0.03 -3.64 3.13 1.08 -0.85 -3.44 117.51 114.43 3khm h ILE 96 Ca 0.54 -1.03 -0.70 0.00 -0.39 0.00 0.00 64.86 63.28 3khm h ILE 96 Cb 1.03 0.07 -0.27 0.00 -3.07 0.00 0.00 36.82 34.58 3khm h ILE 96 CO -0.29 0.01 -0.59 -0.76 -0.69 0.00 0.00 178.15 175.83 3khm s LEU 97 N -8.30 4.34 -0.21 1.44 1.43 -0.79 -1.46 118.68 115.12 3khm s LEU 97 Ca -0.11 -1.04 -0.09 0.00 -1.03 0.00 0.00 54.13 51.86 3khm s LEU 97 Cb 0.02 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 3khm s LEU 97 CO 0.17 -0.32 0.10 -0.44 0.23 0.00 0.00 176.35 176.10 3khm s SER 98 N 1.45 5.78 0.22 2.29 0.01 -0.04 -3.80 113.70 119.62 3khm s SER 98 Ca -0.00 0.07 0.23 0.00 1.31 0.00 0.00 55.95 57.55 3khm s SER 98 Cb -0.19 -2.02 0.06 0.00 0.21 0.00 0.00 66.02 64.08 3khm s SER 98 CO 0.04 0.11 1.13 1.55 0.41 0.00 0.00 173.24 176.48 3khm h PRO 99 N 7.16 0.00 -0.61 12.44 0.13 -1.86 1.24 132.00 150.50 3khm h PRO 99 Ca -0.38 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.85 3khm h PRO 99 Cb 1.17 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.23 3khm h PRO 99 CO 0.68 0.00 0.23 -0.09 -0.23 0.00 0.00 178.00 178.59 3khm h ARG 100 N 0.00 0.40 -0.76 0.86 2.43 -1.93 -2.37 114.38 113.01 3khm h ARG 100 Ca 0.00 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.09 3khm h ARG 100 Cb 0.98 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.41 3khm h ARG 100 CO 0.00 0.27 0.27 0.93 -1.51 0.00 0.00 179.97 179.93 3khm h GLU 101 N 0.41 1.16 -0.35 0.20 3.07 -1.93 -2.76 114.58 114.38 3khm h GLU 101 Ca 0.31 -0.23 -0.10 0.00 -0.50 0.00 0.00 59.36 58.85 3khm h GLU 101 Cb 0.38 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.10 3khm h GLU 101 CO -0.31 0.96 -0.18 0.28 -1.40 0.00 0.00 179.01 178.37 3khm h VAL 102 N 1.12 1.26 -0.83 3.13 2.07 -1.70 -3.26 116.25 118.05 3khm h VAL 102 Ca 0.25 -1.22 -0.47 0.00 0.82 0.00 0.00 66.70 66.09 3khm h VAL 102 Cb 0.26 1.19 -0.26 0.00 -1.52 0.00 0.00 31.29 30.95 3khm h VAL 102 CO -0.01 0.40 0.44 -1.22 0.02 0.00 0.00 177.57 177.20 3khm n TYR 103 N -4.14 2.60 -0.07 1.57 0.53 -1.05 -4.44 117.16 112.15 3khm n TYR 103 Ca 0.00 -2.04 0.02 0.00 -1.02 0.00 0.00 57.90 54.87 3khm n TYR 103 Cb 0.39 -0.90 0.34 0.00 -1.03 0.00 0.00 39.34 38.13 3khm n TYR 103 CO 0.00 0.00 0.00 1.79 -1.02 0.00 0.00 176.86 177.63 3khm h THR 104 N 1.06 1.15 -0.74 -0.72 1.35 -1.56 -2.81 112.91 110.64 3khm h THR 104 Ca 0.52 -0.36 0.11 0.00 -0.55 0.00 0.00 66.41 66.12 3khm h THR 104 Cb 2.12 0.46 -0.05 0.00 -1.73 0.00 0.00 68.15 68.95 3khm h THR 104 CO 1.01 0.16 0.49 0.16 -0.25 0.00 0.00 175.52 177.09 3khm h ILE 105 N 0.69 0.91 -0.02 6.82 -2.65 -1.88 -0.15 117.51 121.23 3khm h ILE 105 Ca 0.18 -0.21 0.00 0.00 1.03 0.00 0.00 64.86 65.86 3khm h ILE 105 Cb 0.00 0.25 0.00 0.00 -2.05 0.00 0.00 36.82 35.02 3khm h ILE 105 CO -0.03 0.11 0.00 0.23 0.03 0.00 0.00 178.15 178.49 3khm n MET 106 N -4.50 1.21 -0.12 0.16 2.81 -1.06 -4.15 117.12 111.48 3khm n MET 106 Ca 0.13 -0.31 -0.09 0.00 -1.81 0.00 0.00 57.70 55.62 3khm n MET 106 Cb 0.37 -1.43 -0.01 0.00 -0.71 0.00 0.00 33.22 31.44 3khm n MET 106 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3khm h THR 107 N 0.71 1.13 -0.66 2.03 2.02 -1.16 -0.99 112.91 115.98 3khm h THR 107 Ca 0.00 -0.31 0.19 0.00 0.77 0.00 0.00 66.41 67.06 3khm h THR 107 Cb 0.15 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 3khm h THR 107 CO 0.00 0.13 0.52 -0.65 0.37 0.00 0.00 175.52 175.89 3khm h PRO 108 N 0.48 0.00 0.00 6.66 0.11 -1.80 3.60 132.00 141.04 3khm h PRO 108 Ca 0.13 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.22 3khm h PRO 108 Cb 0.02 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.13 3khm h PRO 108 CO -0.02 0.00 -0.19 0.28 -0.21 0.00 0.00 178.00 177.86 3khm h VAL 109 N 0.00 0.69 0.01 3.15 2.07 -1.53 -3.38 116.25 117.26 3khm h VAL 109 Ca 0.31 -1.56 -0.21 0.00 0.82 0.00 0.00 66.70 66.06 3khm h VAL 109 Cb 1.36 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 3khm h VAL 109 CO -0.00 0.23 -0.91 -0.26 0.02 0.00 0.00 177.57 176.65 3khm h PHE 110 N -1.00 0.42 0.00 1.57 0.05 -0.92 -3.47 116.94 113.58 3khm h PHE 110 Ca -0.03 -0.23 0.00 0.00 3.82 0.00 0.00 57.97 61.53 3khm h PHE 110 Cb 0.52 -0.05 0.00 0.00 2.00 0.00 0.00 35.95 38.43 3khm h PHE 110 CO 0.08 1.05 0.00 0.41 -0.18 0.00 0.00 178.31 179.67 3khm n GLY 111 N 0.92 2.75 3.75 -1.45 0.00 1.19 -4.35 105.19 108.00 3khm n GLY 111 Ca -0.05 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 3khm n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3khm s GLU 112 N -2.99 4.32 -0.99 1.61 8.01 -1.26 -2.77 118.70 124.63 3khm s GLU 112 Ca 0.00 2.21 0.00 0.00 0.01 0.00 0.00 54.97 57.19 3khm s GLU 112 Cb 0.00 -3.13 0.00 0.00 -4.31 0.00 0.00 34.13 26.69 3khm s GLU 112 CO 0.00 -0.34 0.00 0.41 0.01 0.00 0.00 175.26 175.34 3khm n GLY 113 N 2.09 0.07 3.13 -1.39 0.00 -1.26 -4.94 105.19 102.89 3khm n GLY 113 Ca 0.06 -0.42 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 3khm n GLY 113 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3khm s VAL 114 N -2.55 1.31 0.00 1.61 1.01 -1.11 -4.42 120.40 116.25 3khm s VAL 114 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.29 3khm s VAL 114 Cb 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.27 3khm s VAL 114 CO 0.00 0.38 0.00 0.00 0.00 0.00 0.00 175.10 175.48 3khm n ALA 115 N 2.87 0.00 -0.27 5.51 0.00 -1.26 -1.28 120.51 126.08 3khm n ALA 115 Ca -0.16 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.26 3khm n ALA 115 Cb 0.54 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.14 3khm n ALA 115 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3khm h TYR 116 N 0.00 1.09 -0.95 0.00 0.99 -1.94 -1.20 116.97 114.96 3khm h TYR 116 Ca 0.00 -0.02 0.24 0.00 2.00 0.00 0.00 58.73 60.94 3khm h TYR 116 Cb 0.00 -0.35 -0.07 0.00 1.00 0.00 0.00 36.73 37.31 3khm h TYR 116 CO 0.00 0.76 0.64 0.00 -0.00 0.00 0.00 178.16 179.55 3khm h ALA 117 N 1.36 2.36 -2.24 3.88 0.00 -1.49 -3.42 119.26 119.72 3khm h ALA 117 Ca 0.28 0.02 -0.47 0.00 0.00 0.00 0.00 54.91 54.74 3khm h ALA 117 Cb 0.02 0.01 0.05 0.00 0.00 0.00 0.00 17.79 17.88 3khm h ALA 117 CO -0.05 -0.68 0.14 0.00 0.00 0.00 0.00 179.25 178.67 3khm s ALA 118 N -5.35 3.36 0.61 0.00 0.00 -0.46 -4.28 121.76 115.65 3khm s ALA 118 Ca -0.08 -0.79 -0.19 0.00 0.00 0.00 0.00 51.96 50.91 3khm s ALA 118 Cb 0.23 -2.53 -0.03 0.00 0.00 0.00 0.00 23.12 20.80 3khm s ALA 118 CO 0.79 -0.80 1.26 -1.25 0.00 0.00 0.00 175.76 175.75 3khm s PRO 119 N -4.96 2.83 0.23 0.00 0.04 -1.26 -4.68 135.00 127.20 3khm s PRO 119 Ca 0.54 1.96 -0.03 0.00 0.04 0.00 0.00 61.00 63.51 3khm s PRO 119 Cb -0.10 -1.93 0.25 0.00 0.04 0.00 0.00 34.50 32.76 3khm s PRO 119 CO 0.44 -1.36 1.67 1.88 0.04 0.00 0.00 177.00 179.67 3khm h TYR 120 N 0.81 0.81 -0.96 0.56 -1.99 -1.91 0.23 116.97 114.52 3khm h TYR 120 Ca -0.51 -0.17 0.16 0.00 2.00 0.00 0.00 58.73 60.22 3khm h TYR 120 Cb 1.31 -0.20 -0.08 0.00 2.00 0.00 0.00 36.73 39.76 3khm h TYR 120 CO 0.44 0.85 0.61 -1.35 -0.00 0.00 0.00 178.16 178.71 3khm h PRO 121 N 0.64 0.73 0.12 4.88 0.11 -2.00 0.18 132.00 136.67 3khm h PRO 121 Ca 0.10 -0.04 -0.20 0.00 0.11 0.00 0.00 66.00 65.96 3khm h PRO 121 Cb 0.67 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.63 3khm h PRO 121 CO 0.05 0.48 -0.95 0.00 -0.21 0.00 0.00 178.00 177.37 3khm h ARG 122 N 0.75 0.26 -0.35 1.05 2.47 -1.60 -3.28 114.38 113.68 3khm h ARG 122 Ca 0.51 -0.44 0.08 0.00 -1.26 0.00 0.00 59.98 58.86 3khm h ARG 122 Cb 0.79 0.16 -0.08 0.00 -1.65 0.00 0.00 29.97 29.19 3khm h ARG 122 CO -0.27 1.21 -0.28 1.98 0.56 0.00 0.00 179.97 183.17 3khm h MET 123 N -0.41 -0.22 -0.79 0.04 4.05 -0.23 -0.48 114.93 116.89 3khm h MET 123 Ca -0.19 0.02 0.18 0.00 -0.28 0.00 0.00 59.70 59.43 3khm h MET 123 Cb 1.63 0.05 -0.12 0.00 -0.80 0.00 0.00 31.60 32.37 3khm h MET 123 CO 0.11 -0.15 0.24 -0.09 0.23 0.00 0.00 176.91 177.24 3khm h ARG 124 N -0.23 0.30 0.00 0.39 9.65 -0.78 -1.09 114.38 122.61 3khm h ARG 124 Ca 0.17 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 59.03 3khm h ARG 124 Cb 0.50 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.01 3khm h ARG 124 CO -0.48 0.20 -0.00 0.93 2.80 0.00 0.00 179.97 183.41 3khm h GLU 125 N 0.30 -0.00 -0.22 0.20 5.08 -1.26 -1.53 114.58 117.15 3khm h GLU 125 Ca 0.46 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.88 3khm h GLU 125 Cb 0.81 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.00 3khm h GLU 125 CO -0.52 0.15 -0.26 1.96 -1.00 0.00 0.00 179.01 179.33 3khm h GLN 126 N -0.16 -0.27 -0.64 2.33 4.20 0.05 -1.63 115.11 118.98 3khm h GLN 126 Ca -0.00 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 3khm h GLN 126 Cb 0.16 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 3khm h GLN 126 CO 0.00 -0.18 0.27 -0.07 -0.67 0.00 0.00 178.83 178.18 3khm h LEU 127 N -0.28 0.88 -1.30 1.46 3.38 -1.27 -2.40 115.31 115.77 3khm h LEU 127 Ca 0.13 -0.16 0.10 0.00 0.09 0.00 0.00 57.88 58.04 3khm h LEU 127 Cb 0.48 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 3khm h LEU 127 CO -0.38 0.80 0.54 0.78 0.09 0.00 0.00 178.44 180.27 3khm h ASN 128 N 0.90 0.69 -0.32 -0.43 2.35 -0.71 0.34 115.58 118.41 3khm h ASN 128 Ca 0.22 0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.90 3khm h ASN 128 Cb 0.19 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 3khm h ASN 128 CO -0.02 0.40 -0.15 -0.26 -1.65 0.00 0.00 177.43 175.75 3khm h PHE 129 N 0.76 0.76 -0.69 1.19 -1.00 -0.84 -1.37 116.94 115.76 3khm h PHE 129 Ca 0.39 -0.19 -0.04 0.00 2.81 0.00 0.00 57.97 60.94 3khm h PHE 129 Cb 0.48 -0.18 -0.03 0.00 3.61 0.00 0.00 35.95 39.84 3khm h PHE 129 CO -0.00 0.88 0.26 1.25 -1.61 0.00 0.00 178.31 179.09 3khm h LEU 130 N 0.43 0.94 -0.26 1.54 5.85 -0.86 -2.85 115.31 120.10 3khm h LEU 130 Ca 0.07 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3khm h LEU 130 Cb 0.68 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 3khm h LEU 130 CO 0.05 0.84 0.14 0.00 -0.34 0.00 0.00 178.44 179.13 3khm h ALA 131 N 1.29 0.33 0.00 1.25 0.00 -0.19 -2.10 119.26 119.83 3khm h ALA 131 Ca 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3khm h ALA 131 Cb 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3khm h ALA 131 CO -0.02 -0.14 0.08 0.93 0.00 0.00 0.00 179.25 180.11 3khm h GLU 132 N 0.30 0.00 0.00 0.00 4.39 -1.02 0.53 114.58 118.78 3khm h GLU 132 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 3khm h GLU 132 Cb 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 3khm h GLU 132 CO -0.01 0.00 -0.93 0.39 -1.16 0.00 0.00 179.01 177.29 3khm n GLU 133 N -2.72 0.19 -0.21 2.33 -0.58 -0.81 -4.04 120.64 114.79 3khm n GLU 133 Ca -0.02 -0.01 0.08 0.00 -0.42 0.00 0.00 57.16 56.79 3khm n GLU 133 Cb 0.13 -1.56 0.17 0.00 -0.57 0.00 0.00 31.44 29.62 3khm n GLU 133 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3khm n LEU 134 N -1.80 2.94 -4.83 -4.62 4.77 0.14 -4.85 117.00 108.77 3khm n LEU 134 Ca 0.03 -2.88 -0.32 0.00 -0.03 0.00 0.00 56.01 52.81 3khm n LEU 134 Cb 0.40 -0.42 0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3khm n LEU 134 CO 0.40 0.68 0.71 0.42 -1.33 0.00 0.00 177.39 178.26 3khm s THR 135 N -2.54 4.16 0.40 -5.08 -4.23 -0.98 -4.55 115.64 102.81 3khm s THR 135 Ca 0.32 0.90 0.21 0.00 -1.18 0.00 0.00 61.69 61.94 3khm s THR 135 Cb 0.26 -3.53 0.21 0.00 1.34 0.00 0.00 72.50 70.78 3khm s THR 135 CO 0.06 -0.72 1.58 -0.29 -0.54 0.00 0.00 174.62 174.71 3khm h ILE 136 N 0.17 0.00 -0.06 2.99 6.09 -1.95 0.63 117.51 125.38 3khm h ILE 136 Ca -0.46 0.00 -0.12 0.00 -1.37 0.00 0.00 64.86 62.92 3khm h ILE 136 Cb 1.20 0.46 -0.01 0.00 0.47 0.00 0.00 36.82 38.94 3khm h ILE 136 CO 0.59 0.00 -0.50 0.00 -3.07 0.00 0.00 178.15 175.17 3khm h ALA 137 N 1.16 1.06 -0.09 0.18 0.00 -1.95 -3.26 119.26 116.35 3khm h ALA 137 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3khm h ALA 137 Cb 0.75 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3khm h ALA 137 CO 0.00 0.65 0.00 1.63 0.00 0.00 0.00 179.25 181.53 3khm n LYS 138 N -3.95 1.80 -0.20 0.00 4.76 0.21 -4.24 118.16 116.55 3khm n LYS 138 Ca -0.02 -1.18 0.01 0.00 -2.87 0.00 0.00 58.31 54.26 3khm n LYS 138 Cb 0.53 -1.45 0.09 0.00 -1.84 0.00 0.00 35.03 32.36 3khm n LYS 138 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 3khm n PHE 139 N 0.41 0.46 -0.15 2.13 3.72 -1.23 -4.50 117.46 118.31 3khm n PHE 139 Ca 0.18 -0.17 -0.05 0.00 -0.05 0.00 0.00 57.45 57.36 3khm n PHE 139 Cb 0.38 -0.20 0.05 0.00 -0.94 0.00 0.00 39.48 38.77 3khm n PHE 139 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 3khm h GLN 140 N 0.86 0.42 -0.01 -1.08 4.15 -1.86 -2.95 115.11 114.64 3khm h GLN 140 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3khm h GLN 140 Cb 0.84 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.43 3khm h GLN 140 CO 0.11 0.28 -0.03 0.09 -1.93 0.00 0.00 178.83 177.35 3khm n ASN 141 N -4.93 1.50 -0.29 -0.69 3.02 -1.26 -4.75 115.26 107.86 3khm n ASN 141 Ca 0.04 -1.25 0.06 0.00 -0.03 0.00 0.00 54.58 53.40 3khm n ASN 141 Cb 0.14 0.09 0.21 0.00 -0.61 0.00 0.00 39.78 39.61 3khm n ASN 141 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 3khm h PHE 142 N 1.32 0.77 0.80 3.10 -1.00 -1.78 -2.08 116.94 118.06 3khm h PHE 142 Ca 0.00 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.78 3khm h PHE 142 Cb 0.29 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 39.64 3khm h PHE 142 CO 0.00 0.21 -0.44 0.28 -1.61 0.00 0.00 178.31 176.75 3khm h VAL 143 N 0.65 0.00 -0.94 -0.55 2.07 -1.86 0.22 116.25 115.84 3khm h VAL 143 Ca 0.44 0.00 0.17 0.00 0.82 0.00 0.00 66.70 68.13 3khm h VAL 143 Cb 0.58 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.27 3khm h VAL 143 CO -0.34 0.00 0.60 -0.65 0.02 0.00 0.00 177.57 177.20 3khm h PRO 144 N -1.15 0.65 -0.08 1.57 0.11 -1.72 0.22 132.00 131.60 3khm h PRO 144 Ca -0.11 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.96 3khm h PRO 144 Cb 0.90 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.86 3khm h PRO 144 CO 0.14 0.43 0.05 0.00 -0.21 0.00 0.00 178.00 178.41 3khm h ALA 145 N 1.61 0.11 0.98 -0.75 0.00 -0.83 0.37 119.26 120.74 3khm h ALA 145 Ca 0.50 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.32 3khm h ALA 145 Cb 0.87 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.64 3khm h ALA 145 CO -0.26 -0.36 -0.47 0.82 0.00 0.00 0.00 179.25 178.98 3khm h ILE 146 N 0.05 0.00 -1.02 0.00 2.04 0.64 -2.20 117.51 117.03 3khm h ILE 146 Ca 0.03 -0.01 0.27 0.00 1.00 0.00 0.00 64.86 66.15 3khm h ILE 146 Cb 0.06 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.07 3khm h ILE 146 CO -0.00 0.00 0.69 -0.61 0.00 0.00 0.00 178.15 178.22 3khm h GLN 147 N -1.32 0.24 -0.08 2.37 4.15 -0.60 0.98 115.11 120.85 3khm h GLN 147 Ca -0.13 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.26 3khm h GLN 147 Cb 1.01 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.64 3khm h GLN 147 CO 0.22 0.16 -0.00 1.25 -1.93 0.00 0.00 178.83 178.53 3khm h HIS 148 N 0.25 0.16 -0.13 3.99 2.76 -0.71 -2.85 115.15 118.62 3khm h HIS 148 Ca 0.53 -0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.55 3khm h HIS 148 Cb 1.63 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 30.53 3khm h HIS 148 CO -0.00 0.42 -0.45 0.93 -1.30 0.00 0.00 177.93 177.53 3khm h GLU 149 N -0.14 0.33 0.47 5.26 4.39 -0.23 -2.00 114.58 122.66 3khm h GLU 149 Ca 0.02 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.53 3khm h GLU 149 Cb 0.36 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 3khm h GLU 149 CO 0.00 0.71 -0.23 0.28 -1.16 0.00 0.00 179.01 178.62 3khm h VAL 150 N 0.27 0.50 -0.99 3.13 2.07 -1.21 -1.63 116.25 118.38 3khm h VAL 150 Ca 0.02 -0.27 0.09 0.00 0.82 0.00 0.00 66.70 67.36 3khm h VAL 150 Cb 0.90 0.62 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 3khm h VAL 150 CO 0.07 0.05 0.63 0.03 0.02 0.00 0.00 177.57 178.37 3khm h ARG 151 N -0.80 1.03 0.00 1.57 3.08 -1.50 -0.35 114.38 117.41 3khm h ARG 151 Ca -0.06 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 3khm h ARG 151 Cb 0.56 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3khm h ARG 151 CO 0.11 0.68 -0.18 -0.22 -1.07 0.00 0.00 179.97 179.29 3khm h LYS 152 N 1.06 0.00 0.07 0.04 3.11 -1.17 -0.60 116.57 119.09 3khm h LYS 152 Ca 0.46 0.00 -0.12 0.00 -2.81 0.00 0.00 60.65 58.18 3khm h LYS 152 Cb 0.34 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.58 3khm h LYS 152 CO -0.21 0.18 -0.53 0.35 -2.81 0.00 0.00 179.45 176.42 3khm h PHE 153 N 0.00 0.28 -0.63 1.91 3.57 -0.23 -3.26 116.94 118.59 3khm h PHE 153 Ca -0.00 -0.21 0.04 0.00 3.53 0.00 0.00 57.97 61.33 3khm h PHE 153 Cb 0.32 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 3khm h PHE 153 CO 0.00 1.20 0.37 0.52 -2.23 0.00 0.00 178.31 178.17 3khm h MET 154 N -0.66 0.69 -0.74 1.11 0.00 -0.89 -0.09 114.93 114.35 3khm h MET 154 Ca -0.10 -0.04 0.08 0.00 0.00 0.00 0.00 59.70 59.63 3khm h MET 154 Cb 1.36 -0.16 -0.05 0.00 0.00 0.00 0.00 31.60 32.76 3khm h MET 154 CO 0.07 0.46 0.49 0.00 0.00 0.00 0.00 176.91 177.92 3khm h ALA 155 N 1.29 1.73 0.09 6.32 0.00 -1.25 0.30 119.26 127.74 3khm h ALA 155 Ca 0.26 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.89 3khm h ALA 155 Cb 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3khm h ALA 155 CO -0.13 0.14 -1.38 1.49 0.00 0.00 0.00 179.25 179.37 3khm h GLU 156 N 0.74 0.18 0.00 0.00 4.81 -1.23 -3.38 114.58 115.69 3khm h GLU 156 Ca 0.33 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3khm h GLU 156 Cb 0.33 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.83 3khm h GLU 156 CO -0.11 1.15 -1.31 0.09 -0.73 0.00 0.00 179.01 178.10 3khm n ASN 157 N -4.01 0.57 -3.58 1.04 3.02 -0.18 -4.43 115.26 107.69 3khm n ASN 157 Ca -0.27 0.19 -0.29 0.00 -0.03 0.00 0.00 54.58 54.19 3khm n ASN 157 Cb 0.85 0.94 -0.08 0.00 -0.61 0.00 0.00 39.78 40.88 3khm n ASN 157 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 3khm n TRP 158 N -2.50 3.52 -0.02 3.10 8.01 0.09 -4.92 117.44 124.74 3khm n TRP 158 Ca -0.01 -4.08 -0.01 0.00 -1.31 0.00 0.00 57.50 52.09 3khm n TRP 158 Cb 0.55 -0.65 -0.01 0.00 -2.01 0.00 0.00 31.31 29.20 3khm n TRP 158 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.69 178.25 3khm h LYS 159 N 4.56 -0.07 -6.53 -0.99 2.10 -1.74 -3.42 116.57 110.48 3khm h LYS 159 Ca 0.19 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 58.26 3khm h LYS 159 Cb 0.68 0.02 0.15 0.00 -0.90 0.00 0.00 32.23 32.18 3khm h LYS 159 CO 0.85 -0.05 -0.18 -1.91 -2.00 0.00 0.00 179.45 176.17 3khm n GLU 160 N -4.64 0.80 0.25 0.07 4.07 -1.26 -4.85 120.64 115.08 3khm n GLU 160 Ca -0.01 0.30 0.09 0.00 -0.06 0.00 0.00 57.16 57.48 3khm n GLU 160 Cb 0.03 -1.79 0.63 0.00 -0.06 0.00 0.00 31.44 30.25 3khm n GLU 160 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 3khm h ASP 161 N 0.77 0.00 -2.79 4.31 3.32 -1.93 -3.40 116.42 116.70 3khm h ASP 161 Ca -0.44 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.24 3khm h ASP 161 Cb 1.38 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.55 3khm h ASP 161 CO 0.51 0.12 -0.68 -1.61 -1.72 0.00 0.00 179.24 175.87 3khm s GLU 162 N -4.57 0.12 0.29 3.56 2.02 -1.26 -0.07 118.70 118.80 3khm s GLU 162 Ca -0.04 0.13 -0.05 0.00 0.02 0.00 0.00 54.97 55.04 3khm s GLU 162 Cb 0.15 -1.35 -0.01 0.00 0.10 0.00 0.00 34.13 33.03 3khm s GLU 162 CO 0.64 -0.62 0.41 0.20 0.02 0.00 0.00 175.26 175.92 3khm s GLY 163 N 2.25 1.25 -0.10 -1.39 0.00 -0.78 -5.00 107.32 103.55 3khm s GLY 163 Ca 0.05 -1.39 0.03 0.00 0.00 0.00 0.00 44.72 43.40 3khm s GLY 163 CO -0.10 -0.98 -0.20 0.54 0.00 0.00 0.00 173.10 172.36 3khm s VAL 164 N -3.50 1.76 0.33 1.40 0.11 -1.26 -0.10 120.40 119.13 3khm s VAL 164 Ca 0.30 -0.84 0.03 0.00 -2.93 0.00 0.00 61.98 58.55 3khm s VAL 164 Cb 0.01 -1.55 -0.04 0.00 -1.53 0.00 0.00 36.38 33.27 3khm s VAL 164 CO 0.16 0.49 0.14 0.27 -3.33 0.00 0.00 175.10 172.84 3khm s ILE 165 N 0.56 0.46 -0.39 7.04 -5.25 0.01 -4.96 121.20 118.68 3khm s ILE 165 Ca -0.15 -2.00 -0.14 0.00 -0.99 0.00 0.00 60.65 57.38 3khm s ILE 165 Cb -0.17 -2.51 0.01 0.00 2.95 0.00 0.00 42.46 42.74 3khm s ILE 165 CO 0.05 0.00 0.26 0.21 -1.79 0.00 0.00 174.94 173.67 3khm s ASN 166 N -3.43 6.01 0.21 4.36 3.84 -1.26 -0.26 114.94 124.41 3khm s ASN 166 Ca 0.34 -0.80 -0.09 0.00 0.21 0.00 0.00 52.86 52.51 3khm s ASN 166 Cb 0.05 -2.12 0.17 0.00 -0.55 0.00 0.00 41.25 38.79 3khm s ASN 166 CO 0.17 -0.38 1.86 0.25 -2.79 0.00 0.00 177.10 176.20 3khm h LEU 167 N 8.55 0.95 -0.26 3.21 5.85 -1.04 -2.05 115.31 130.53 3khm h LEU 167 Ca -0.28 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 3khm h LEU 167 Cb 1.13 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 3khm h LEU 167 CO 0.69 0.74 0.11 0.25 -0.34 0.00 0.00 178.44 179.89 3khm h LEU 168 N 1.08 0.36 -1.10 2.25 5.85 -1.92 0.14 115.31 121.97 3khm h LEU 168 Ca 0.28 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 3khm h LEU 168 Cb -0.04 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3khm h LEU 168 CO -0.05 0.42 -0.17 -0.33 -0.34 0.00 0.00 178.44 177.97 3khm h GLU 169 N 0.28 0.43 0.09 1.25 5.08 -1.88 -2.53 114.58 117.30 3khm h GLU 169 Ca 0.09 -0.13 -0.26 0.00 -1.00 0.00 0.00 59.36 58.06 3khm h GLU 169 Cb 0.17 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3khm h GLU 169 CO -0.01 0.59 -1.19 -0.44 -1.00 0.00 0.00 179.01 176.96 3khm h ASP 170 N 0.40 0.31 -0.45 1.42 3.32 -0.99 -2.99 116.42 117.42 3khm h ASP 170 Ca 0.07 -0.33 -0.12 0.00 0.02 0.00 0.00 57.03 56.66 3khm h ASP 170 Cb 0.53 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 3khm h ASP 170 CO 0.03 1.26 -0.18 0.00 -1.72 0.00 0.00 179.24 178.63 3khm h GLY 172 N 0.92 1.00 0.56 0.00 0.00 -1.46 0.10 103.07 104.19 3khm h GLY 172 Ca 0.12 -0.33 -0.08 0.00 0.00 0.00 0.00 47.33 47.03 3khm h GLY 172 CO 0.06 0.27 -0.32 0.00 0.00 0.00 0.00 176.54 176.55 3khm h ALA 173 N 1.59 0.06 -0.73 3.60 0.00 -1.35 -2.65 119.26 119.78 3khm h ALA 173 Ca 0.30 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.75 3khm h ALA 173 Cb 0.15 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3khm h ALA 173 CO -0.10 0.14 0.48 0.52 0.00 0.00 0.00 179.25 180.30 3khm h MET 174 N -0.35 0.95 0.24 0.00 2.86 -1.01 -0.84 114.93 116.78 3khm h MET 174 Ca -0.03 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3khm h MET 174 Cb 1.03 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 3khm h MET 174 CO 0.06 0.63 -0.16 0.82 1.06 0.00 0.00 176.91 179.33 3khm h ILE 175 N 0.98 0.67 -0.08 -1.22 1.08 -0.85 0.15 117.51 118.23 3khm h ILE 175 Ca 0.27 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.73 3khm h ILE 175 Cb -0.10 0.67 -0.00 0.00 -3.07 0.00 0.00 36.82 34.32 3khm h ILE 175 CO -0.06 0.00 0.02 -0.29 -0.69 0.00 0.00 178.15 177.13 3khm h ILE 176 N -0.39 1.18 -0.20 -0.67 6.09 -1.30 0.78 117.51 123.00 3khm h ILE 176 Ca -0.02 -0.53 0.03 0.00 -1.37 0.00 0.00 64.86 62.96 3khm h ILE 176 Cb 0.33 1.38 -0.03 0.00 0.47 0.00 0.00 36.82 38.97 3khm h ILE 176 CO 0.01 0.15 0.03 0.78 -3.07 0.00 0.00 178.15 176.05 3khm h ASN 177 N -0.06 -0.02 -0.07 2.19 4.21 -1.15 -1.79 115.58 118.89 3khm h ASN 177 Ca 0.03 0.04 0.01 0.00 1.21 0.00 0.00 56.30 57.59 3khm h ASN 177 Cb 0.22 0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.46 3khm h ASN 177 CO -0.00 0.02 -0.02 0.74 -1.29 0.00 0.00 177.43 176.88 3khm h THR 178 N 0.10 0.93 -0.92 2.81 2.02 -0.52 -1.46 112.91 115.86 3khm h THR 178 Ca 0.09 -0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.34 3khm h THR 178 Cb 0.10 0.93 -0.07 0.00 -1.74 0.00 0.00 68.15 67.37 3khm h THR 178 CO -0.13 0.00 0.58 0.00 0.37 0.00 0.00 175.52 176.34 3khm h ALA 179 N 1.07 1.28 -0.48 6.16 0.00 -0.70 -2.17 119.26 124.42 3khm h ALA 179 Ca 0.03 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3khm h ALA 179 Cb 0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3khm h ALA 179 CO -0.07 0.33 -0.18 0.00 0.00 0.00 0.00 179.25 179.33 3khm h GLN 181 N 0.83 0.00 0.08 0.00 5.75 -0.64 0.42 115.11 121.55 3khm h GLN 181 Ca 0.12 0.00 -0.35 0.00 -0.15 0.00 0.00 58.65 58.26 3khm h GLN 181 Cb 0.73 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.26 3khm h GLN 181 CO 0.06 0.00 -1.97 0.00 -2.65 0.00 0.00 178.83 174.26 3khm n LEU 183 N -3.63 1.40 -4.39 0.00 4.77 -0.48 -4.83 117.00 109.85 3khm n LEU 183 Ca -0.35 -0.82 -0.33 0.00 -0.03 0.00 0.00 56.01 54.49 3khm n LEU 183 Cb 0.98 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.92 3khm n LEU 183 CO 0.35 0.28 -0.47 -0.36 -1.33 0.00 0.00 177.39 175.86 3khm s PHE 184 N -1.30 2.69 0.70 -1.77 2.99 0.12 -2.69 117.98 118.73 3khm s PHE 184 Ca 0.10 -0.49 -0.11 0.00 0.00 0.00 0.00 56.93 56.42 3khm s PHE 184 Cb 0.09 -1.72 0.01 0.00 0.00 0.00 0.00 43.02 41.40 3khm s PHE 184 CO 0.24 -0.07 1.07 0.20 -0.00 0.00 0.00 175.22 176.66 3khm s GLY 185 N -0.14 1.64 0.21 4.36 0.00 -1.26 -4.73 107.32 107.40 3khm s GLY 185 Ca -0.02 -0.18 -0.17 0.00 0.00 0.00 0.00 44.72 44.35 3khm s GLY 185 CO 0.04 0.16 1.59 0.83 0.00 0.00 0.00 173.10 175.72 3khm h GLU 186 N -0.65 -0.08 -0.54 2.90 4.39 -1.97 -0.64 114.58 117.99 3khm h GLU 186 Ca -0.45 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.24 3khm h GLU 186 Cb 1.23 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.87 3khm h GLU 186 CO 0.61 -0.05 0.29 0.38 -1.16 0.00 0.00 179.01 179.08 3khm h ASP 187 N -0.08 0.67 -0.46 1.42 2.03 -2.00 -2.91 116.42 115.09 3khm h ASP 187 Ca 0.29 -0.10 -0.04 0.00 -0.73 0.00 0.00 57.03 56.45 3khm h ASP 187 Cb 0.55 -0.17 -0.02 0.00 -0.83 0.00 0.00 39.33 38.86 3khm h ASP 187 CO -0.75 0.58 0.13 0.25 -1.03 0.00 0.00 179.24 178.43 3khm h LEU 188 N 0.72 0.68 -0.42 0.15 5.85 -1.54 -2.22 115.31 118.53 3khm h LEU 188 Ca 0.19 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 3khm h LEU 188 Cb 0.06 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3khm h LEU 188 CO -0.03 0.72 0.14 0.03 -0.34 0.00 0.00 178.44 178.96 3khm h ARG 189 N 0.61 0.65 -0.64 1.25 3.08 -1.10 1.42 114.38 119.65 3khm h ARG 189 Ca 0.15 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 3khm h ARG 189 Cb 0.29 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 3khm h ARG 189 CO -0.00 0.63 0.14 0.87 -1.07 0.00 0.00 179.97 180.54 3khm h LYS 190 N 0.54 1.01 -0.01 0.04 1.57 -1.48 -2.91 116.57 115.33 3khm h LYS 190 Ca 0.14 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3khm h LYS 190 Cb 0.24 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3khm h LYS 190 CO -0.01 0.91 -0.04 -0.09 -0.57 0.00 0.00 179.45 179.65 3khm h ARG 191 N 0.96 0.04 -3.63 3.15 9.65 -1.01 -3.39 114.38 120.17 3khm h ARG 191 Ca 0.20 -0.03 -0.76 0.00 -1.10 0.00 0.00 59.98 58.29 3khm h ARG 191 Cb 0.36 0.01 -0.30 0.00 -1.39 0.00 0.00 29.97 28.65 3khm h ARG 191 CO 0.00 0.66 0.05 -1.17 2.80 0.00 0.00 179.97 182.31 3khm s LEU 192 N -8.93 6.14 0.16 3.80 2.96 0.48 -5.05 118.68 118.24 3khm s LEU 192 Ca -0.16 -3.11 -0.31 0.00 -0.22 0.00 0.00 54.13 50.32 3khm s LEU 192 Cb 0.01 -2.08 -0.17 0.00 0.50 0.00 0.00 46.19 44.45 3khm s LEU 192 CO 0.69 -0.40 0.83 -3.20 -1.32 0.00 0.00 176.35 172.95 3khm n ASN 193 N 3.30 -0.15 0.13 3.68 2.85 -1.11 -4.47 115.26 119.49 3khm n ASN 193 Ca 0.16 1.14 -0.13 0.00 -0.11 0.00 0.00 54.58 55.65 3khm n ASN 193 Cb 0.42 -1.04 -0.06 0.00 1.24 0.00 0.00 39.78 40.33 3khm n ASN 193 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3khm h ALA 194 N 2.02 -0.31 -0.80 5.20 0.00 -1.95 -0.58 119.26 122.83 3khm h ALA 194 Ca -0.37 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 3khm h ALA 194 Cb 1.41 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.38 3khm h ALA 194 CO 0.62 -0.70 0.42 -0.09 0.00 0.00 0.00 179.25 179.50 3khm h ARG 195 N -0.34 1.13 -0.43 0.00 2.43 -1.96 -2.57 114.38 112.65 3khm h ARG 195 Ca 0.00 -0.15 0.02 0.00 -0.81 0.00 0.00 59.98 59.05 3khm h ARG 195 Cb 0.32 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 3khm h ARG 195 CO -0.04 0.85 0.28 1.25 -1.51 0.00 0.00 179.97 180.81 3khm h HIS 196 N 1.12 0.47 -0.63 2.20 2.76 -1.78 -1.74 115.15 117.54 3khm h HIS 196 Ca 0.28 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.40 3khm h HIS 196 Cb 0.06 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 28.84 3khm h HIS 196 CO 0.01 0.28 0.15 0.35 -1.30 0.00 0.00 177.93 177.42 3khm h PHE 197 N 0.49 1.07 -0.24 5.26 3.57 -0.70 -1.76 116.94 124.63 3khm h PHE 197 Ca 0.17 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 3khm h PHE 197 Cb 0.07 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 3khm h PHE 197 CO -0.00 0.89 0.01 0.00 -2.23 0.00 0.00 178.31 176.98 3khm h ALA 198 N 1.05 1.58 -0.13 2.41 0.00 -1.28 0.24 119.26 123.13 3khm h ALA 198 Ca 0.20 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3khm h ALA 198 Cb 0.36 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3khm h ALA 198 CO 0.00 0.31 -0.04 0.37 0.00 0.00 0.00 179.25 179.89 3khm h GLN 199 N 0.34 -0.02 -0.40 0.00 4.15 -0.71 0.94 115.11 119.42 3khm h GLN 199 Ca 0.08 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.43 3khm h GLN 199 Cb 0.22 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 3khm h GLN 199 CO 0.00 -0.01 -0.03 -0.07 -1.93 0.00 0.00 178.83 176.80 3khm h LEU 200 N -0.02 0.71 -0.98 -2.39 4.07 -0.82 -2.82 115.31 113.06 3khm h LEU 200 Ca 0.06 -0.32 0.07 0.00 0.08 0.00 0.00 57.88 57.77 3khm h LEU 200 Cb 0.12 -0.19 -0.07 0.00 1.08 0.00 0.00 40.66 41.60 3khm h LEU 200 CO -0.14 0.86 0.63 0.25 -1.08 0.00 0.00 178.44 178.96 3khm h LEU 201 N 0.54 1.00 -0.76 1.67 7.12 -0.28 -1.77 115.31 122.83 3khm h LEU 201 Ca 0.11 0.01 -0.13 0.00 0.13 0.00 0.00 57.88 58.00 3khm h LEU 201 Cb 0.52 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.44 3khm h LEU 201 CO 0.03 0.63 -0.44 -1.28 -0.13 0.00 0.00 178.44 177.24 3khm h SER 202 N 1.13 0.43 0.04 1.25 0.87 -0.73 -2.91 113.55 113.64 3khm h SER 202 Ca 0.43 -0.20 -0.13 0.00 -1.23 0.00 0.00 61.79 60.67 3khm h SER 202 Cb 0.19 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 3khm h SER 202 CO -0.18 0.82 -0.41 0.11 -0.53 0.00 0.00 176.83 176.64 3khm h LYS 203 N 0.33 0.46 0.00 2.24 1.57 -1.12 -2.63 116.57 117.42 3khm h LYS 203 Ca 0.02 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3khm h LYS 203 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.23 3khm h LYS 203 CO 0.08 0.80 0.00 -1.33 -0.57 0.00 0.00 179.45 178.42 3khm n MET 204 N -4.02 0.14 -0.00 3.15 2.81 -0.73 -2.23 117.12 116.24 3khm n MET 204 Ca -0.02 0.18 0.06 0.00 -1.81 0.00 0.00 57.70 56.11 3khm n MET 204 Cb 0.51 -1.50 -0.08 0.00 -0.71 0.00 0.00 33.22 31.43 3khm n MET 204 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3khm n GLU 205 N -1.36 1.60 0.00 0.03 1.02 -1.02 -4.47 120.64 116.45 3khm n GLU 205 Ca 0.06 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3khm n GLU 205 Cb 0.14 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 3khm n GLU 205 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3khm n SER 206 N -1.63 0.00 -0.20 1.62 7.64 -0.94 0.12 113.62 120.22 3khm n SER 206 Ca -0.00 0.14 0.04 0.00 1.01 0.00 0.00 58.87 60.06 3khm n SER 206 Cb 0.26 -0.14 0.01 0.00 -1.01 0.00 0.00 64.21 63.32 3khm n SER 206 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3khm n SER 207 N -1.07 1.17 -2.23 6.43 3.41 -1.26 -4.57 113.62 115.51 3khm n SER 207 Ca 0.00 -1.08 -0.28 0.00 -0.26 0.00 0.00 58.87 57.24 3khm n SER 207 Cb 0.05 0.38 0.13 0.00 -0.26 0.00 0.00 64.21 64.51 3khm n SER 207 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3khm n LEU 208 N -0.16 7.05 -3.84 1.04 4.32 0.32 -4.72 117.00 121.00 3khm n LEU 208 Ca 0.03 -3.98 -0.29 0.00 -0.02 0.00 0.00 56.01 51.76 3khm n LEU 208 Cb 0.17 -0.88 -0.11 0.00 -1.62 0.00 0.00 43.42 40.98 3khm n LEU 208 CO 0.09 1.29 0.04 0.00 -1.22 0.00 0.00 177.39 177.59 3khm n ILE 209 N -1.03 1.96 -3.00 -0.08 3.06 -1.26 -5.02 119.36 114.01 3khm n ILE 209 Ca 0.60 -4.98 -0.39 0.00 -2.50 0.00 0.00 62.75 55.48 3khm n ILE 209 Cb 1.14 -2.19 -0.06 0.00 0.54 0.00 0.00 39.64 39.07 3khm n ILE 209 CO 0.00 0.00 0.00 -2.16 -2.50 0.00 0.00 176.55 171.89 3khm s PRO 210 N -1.66 4.53 0.25 9.51 0.04 -1.26 -5.17 135.00 141.23 3khm s PRO 210 Ca 0.28 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.43 3khm s PRO 210 Cb -0.01 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.24 3khm s PRO 210 CO -0.14 0.50 0.00 0.00 0.04 0.00 0.00 177.00 177.40 3khm n ALA 211 N 1.92 -2.11 0.00 8.56 0.00 -1.26 -5.05 120.51 122.57 3khm n ALA 211 Ca -0.05 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3khm n ALA 211 Cb 0.49 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3khm n ALA 211 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3khm n LEU 218 N 1.38 0.00 0.00 0.00 4.77 -1.26 -5.15 117.00 116.74 3khm n LEU 218 Ca 0.00 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.04 3khm n LEU 218 Cb 0.00 0.00 0.45 0.00 -2.33 0.00 0.00 43.42 41.54 3khm n LEU 218 CO 0.00 0.00 1.16 -0.07 -1.33 0.00 0.00 177.39 177.15 3khm h LEU 219 N 0.00 0.42 -0.08 2.23 3.38 -2.04 -1.66 115.31 117.57 3khm h LEU 219 Ca 0.00 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 3khm h LEU 219 Cb 0.00 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3khm h LEU 219 CO 0.00 0.30 -0.62 0.03 0.09 0.00 0.00 178.44 178.24 3khm h ARG 220 N 0.50 0.00 -6.78 1.13 3.08 -2.01 -3.46 114.38 106.83 3khm h ARG 220 Ca 0.16 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.76 3khm h ARG 220 Cb 0.04 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.14 3khm h ARG 220 CO -0.04 0.62 -0.06 -0.51 -1.07 0.00 0.00 179.97 178.91 3khm s LEU 221 N -6.58 3.23 0.72 3.04 1.43 -0.63 -5.08 118.68 114.81 3khm s LEU 221 Ca 0.03 -0.41 -0.14 0.00 -1.03 0.00 0.00 54.13 52.58 3khm s LEU 221 Cb 0.08 -2.27 0.03 0.00 0.03 0.00 0.00 46.19 44.07 3khm s LEU 221 CO 0.76 -1.31 1.13 -2.16 0.23 0.00 0.00 176.35 175.00 3khm s PRO 222 N -4.75 2.43 0.12 1.29 0.04 -1.26 -4.97 135.00 127.90 3khm s PRO 222 Ca 0.60 1.43 -0.29 0.00 0.04 0.00 0.00 61.00 62.79 3khm s PRO 222 Cb -0.08 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.50 3khm s PRO 222 CO 0.39 -1.55 0.91 -0.48 0.04 0.00 0.00 177.00 176.31 3khm s LEU 223 N -5.27 4.52 0.04 -3.56 2.34 -1.26 -5.01 118.68 110.48 3khm s LEU 223 Ca 0.67 1.74 -0.00 0.00 0.06 0.00 0.00 54.13 56.60 3khm s LEU 223 Cb -0.22 -3.50 -0.04 0.00 -0.56 0.00 0.00 46.19 41.87 3khm s LEU 223 CO 0.46 0.01 0.17 -2.16 -1.06 0.00 0.00 176.35 173.77 3khm s PRO 224 N -0.30 3.30 0.38 1.48 0.04 -1.26 -5.11 135.00 133.54 3khm s PRO 224 Ca 0.44 -0.46 -0.24 0.00 0.04 0.00 0.00 61.00 60.78 3khm s PRO 224 Cb -0.23 -2.98 -0.10 0.00 0.04 0.00 0.00 34.50 31.23 3khm s PRO 224 CO 0.29 0.62 0.98 -0.65 0.04 0.00 0.00 177.00 178.28 3khm s GLN 225 N -2.27 4.35 -0.30 4.56 -0.21 -1.26 -5.05 119.66 119.49 3khm s GLN 225 Ca 0.31 1.32 -0.10 0.00 0.02 0.00 0.00 55.36 56.91 3khm s GLN 225 Cb -0.13 -2.54 -0.02 0.00 1.00 0.00 0.00 33.01 31.32 3khm s GLN 225 CO 0.23 0.06 0.16 0.45 -2.12 0.00 0.00 175.29 174.08 3khm s SER 226 N -1.77 5.65 0.13 5.90 0.15 -1.26 -4.98 113.70 117.53 3khm s SER 226 Ca 0.56 -0.37 -0.16 0.00 0.70 0.00 0.00 55.95 56.68 3khm s SER 226 Cb -0.17 -2.03 -0.00 0.00 -1.71 0.00 0.00 66.02 62.10 3khm s SER 226 CO 0.22 -0.15 1.69 0.00 1.20 0.00 0.00 173.24 176.20 3khm h ALA 227 N 8.36 0.52 -0.29 5.45 0.00 -1.99 -1.86 119.26 129.45 3khm h ALA 227 Ca -0.33 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.51 3khm h ALA 227 Cb 1.16 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.72 3khm h ALA 227 CO 0.60 0.11 -0.20 0.00 0.00 0.00 0.00 179.25 179.76 3khm h ARG 228 N 0.50 -0.17 -0.03 0.00 2.47 -1.93 -1.35 114.38 113.87 3khm h ARG 228 Ca 0.13 0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.86 3khm h ARG 228 Cb 0.17 0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.52 3khm h ARG 228 CO -0.01 -0.11 0.00 0.00 0.56 0.00 0.00 179.97 180.41 3khm h ARG 230 N -0.22 0.19 -0.15 0.00 2.43 -1.16 -1.29 114.38 114.18 3khm h ARG 230 Ca 0.01 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3khm h ARG 230 Cb 0.27 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3khm h ARG 230 CO 0.00 0.12 0.03 0.93 -1.51 0.00 0.00 179.97 179.55 3khm h GLU 231 N 0.19 0.24 -0.46 0.20 5.08 -1.21 -1.75 114.58 116.88 3khm h GLU 231 Ca 0.21 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 3khm h GLU 231 Cb 0.27 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3khm h GLU 231 CO -0.29 0.41 0.16 0.00 -1.00 0.00 0.00 179.01 178.29 3khm h ALA 232 N 0.83 1.42 -0.12 3.43 0.00 -1.09 0.15 119.26 123.89 3khm h ALA 232 Ca 0.05 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 3khm h ALA 232 Cb 0.27 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.88 3khm h ALA 232 CO 0.00 0.43 -0.61 -0.09 0.00 0.00 0.00 179.25 178.98 3khm h ARG 233 N 0.66 0.63 -0.25 0.00 2.43 -1.15 -2.01 114.38 114.68 3khm h ARG 233 Ca 0.16 -0.52 -0.08 0.00 -0.81 0.00 0.00 59.98 58.73 3khm h ARG 233 Cb 0.17 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 3khm h ARG 233 CO -0.01 1.13 -0.19 0.00 -1.51 0.00 0.00 179.97 179.40 3khm h ALA 234 N 0.50 1.21 -0.59 2.80 0.00 -0.98 0.29 119.26 122.48 3khm h ALA 234 Ca -0.04 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 3khm h ALA 234 Cb 1.26 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 3khm h ALA 234 CO 0.13 0.51 0.11 1.49 0.00 0.00 0.00 179.25 181.49 3khm h GLU 235 N 0.41 0.95 -0.08 0.00 4.81 -0.66 -1.34 114.58 118.66 3khm h GLU 235 Ca 0.07 -0.23 -0.24 0.00 -0.13 0.00 0.00 59.36 58.84 3khm h GLU 235 Cb 0.56 -0.13 0.02 0.00 0.63 0.00 0.00 28.75 29.83 3khm h GLU 235 CO 0.04 0.87 -0.87 1.25 -0.73 0.00 0.00 179.01 179.56 3khm h LEU 236 N 0.90 0.91 -0.62 1.64 5.85 -0.85 -3.07 115.31 120.07 3khm h LEU 236 Ca 0.19 -0.68 -0.05 0.00 0.84 0.00 0.00 57.88 58.18 3khm h LEU 236 Cb 0.38 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3khm h LEU 236 CO 0.01 1.46 0.20 -0.61 -0.34 0.00 0.00 178.44 179.15 3khm h GLN 237 N 0.44 0.97 0.52 1.25 4.15 -0.30 -1.77 115.11 120.37 3khm h GLN 237 Ca -0.09 -0.21 -0.03 0.00 0.77 0.00 0.00 58.65 59.10 3khm h GLN 237 Cb 1.52 -0.14 0.01 0.00 0.21 0.00 0.00 27.48 29.07 3khm h GLN 237 CO 0.18 0.85 -0.25 -0.22 -1.93 0.00 0.00 178.83 177.46 3khm h LYS 238 N 0.89 -0.67 -0.49 1.69 3.64 -1.33 0.82 116.57 121.12 3khm h LYS 238 Ca 0.20 0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.71 3khm h LYS 238 Cb 0.29 0.15 -0.10 0.00 -0.41 0.00 0.00 32.23 32.16 3khm h LYS 238 CO -0.01 -0.44 -0.37 0.82 -2.27 0.00 0.00 179.45 177.18 3khm h ILE 239 N -0.71 0.16 -0.99 2.00 2.04 -1.43 0.20 117.51 118.79 3khm h ILE 239 Ca -0.07 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.90 3khm h ILE 239 Cb 0.54 0.16 -0.08 0.00 -0.74 0.00 0.00 36.82 36.70 3khm h ILE 239 CO 0.12 0.00 0.63 -0.07 0.00 0.00 0.00 178.15 178.82 3khm h LEU 240 N -0.24 0.92 -1.08 1.44 3.38 -1.18 -1.22 115.31 117.33 3khm h LEU 240 Ca 0.18 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.21 3khm h LEU 240 Cb 0.56 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 3khm h LEU 240 CO -0.62 0.51 0.62 1.23 0.09 0.00 0.00 178.44 180.28 3khm h GLY 241 N 1.00 1.33 1.10 0.83 0.00 0.19 -2.49 103.07 105.02 3khm h GLY 241 Ca 0.47 -0.49 -0.15 0.00 0.00 0.00 0.00 47.33 47.17 3khm h GLY 241 CO -0.24 0.46 -0.32 0.83 0.00 0.00 0.00 176.54 177.28 3khm h GLU 242 N 1.25 0.92 -0.82 4.80 5.08 0.10 -2.98 114.58 122.94 3khm h GLU 242 Ca 0.35 -0.46 0.02 0.00 -1.00 0.00 0.00 59.36 58.27 3khm h GLU 242 Cb -0.11 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 3khm h GLU 242 CO -0.08 1.11 0.54 0.82 -1.00 0.00 0.00 179.01 180.40 3khm h ILE 243 N 0.74 1.18 -0.72 3.13 5.03 -1.10 -1.08 117.51 124.69 3khm h ILE 243 Ca 0.07 -0.37 -0.05 0.00 -0.12 0.00 0.00 64.86 64.39 3khm h ILE 243 Cb 0.91 0.02 -0.03 0.00 -3.03 0.00 0.00 36.82 34.68 3khm h ILE 243 CO 0.08 0.20 0.24 0.40 -0.68 0.00 0.00 178.15 178.39 3khm h ILE 244 N 1.07 1.25 -0.20 -0.67 2.04 -1.33 0.35 117.51 120.02 3khm h ILE 244 Ca 0.31 -0.86 -0.04 0.00 1.00 0.00 0.00 64.86 65.26 3khm h ILE 244 Cb -0.07 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 3khm h ILE 244 CO -0.08 0.34 -0.04 0.58 0.00 0.00 0.00 178.15 178.96 3khm h VAL 245 N 1.06 1.28 -0.32 1.67 2.07 -1.25 -1.96 116.25 118.79 3khm h VAL 245 Ca 0.23 -1.00 -0.08 0.00 0.82 0.00 0.00 66.70 66.68 3khm h VAL 245 Cb 0.28 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 3khm h VAL 245 CO -0.01 0.30 -0.12 0.00 0.02 0.00 0.00 177.57 177.76 3khm h ALA 246 N 0.75 1.18 0.00 1.67 0.00 -1.02 -2.30 119.26 119.54 3khm h ALA 246 Ca 0.05 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 3khm h ALA 246 Cb 0.48 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3khm h ALA 246 CO 0.02 0.52 -0.33 0.00 0.00 0.00 0.00 179.25 179.47 3khm h ARG 247 N 0.51 0.00 -2.91 0.00 2.47 -0.21 -3.22 114.38 111.02 3khm h ARG 247 Ca 0.09 0.00 -0.63 0.00 -1.26 0.00 0.00 59.98 58.18 3khm h ARG 247 Cb 0.52 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.86 3khm h ARG 247 CO 0.03 0.33 3.51 -1.91 0.56 0.00 0.00 179.97 182.49 3khm n GLU 248 N -3.89 3.60 -0.68 0.04 4.07 -0.75 -5.07 120.64 117.96 3khm n GLU 248 Ca -0.02 -2.13 0.00 0.00 -0.06 0.00 0.00 57.16 54.95 3khm n GLU 248 Cb 0.40 -2.73 0.00 0.00 -0.06 0.00 0.00 31.44 29.04 3khm n GLU 248 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3khm n LYS 249 N 3.46 -0.90 0.00 5.31 5.02 -1.22 -5.01 118.16 124.82 3khm n LYS 249 Ca 0.76 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 57.05 3khm n LYS 249 Cb 0.28 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 3khm n LYS 249 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3khm n SER 259 N -0.04 0.00 -4.79 4.39 7.64 -1.26 -4.75 113.62 114.81 3khm n SER 259 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 3khm n SER 259 Cb 0.07 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.38 3khm n SER 259 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 3khm s ASP 260 N 0.00 3.99 0.26 6.43 1.47 -1.26 -4.72 116.67 122.84 3khm s ASP 260 Ca 0.00 1.15 -0.05 0.00 1.18 0.00 0.00 52.55 54.83 3khm s ASP 260 Cb 0.00 -1.81 0.31 0.00 -0.34 0.00 0.00 42.92 41.08 3khm s ASP 260 CO 0.00 -2.27 1.94 0.25 0.68 0.00 0.00 175.17 175.77 3khm h LEU 261 N -1.30 1.11 -0.27 2.11 5.85 -1.83 0.28 115.31 121.26 3khm h LEU 261 Ca -0.49 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.18 3khm h LEU 261 Cb 1.30 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 3khm h LEU 261 CO 0.60 0.80 0.08 0.25 -0.34 0.00 0.00 178.44 179.84 3khm h LEU 262 N 1.30 0.40 -0.34 2.25 6.46 -1.93 -1.81 115.31 121.65 3khm h LEU 262 Ca 0.35 -0.21 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 3khm h LEU 262 Cb -0.15 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 39.66 3khm h LEU 262 CO -0.08 0.50 0.16 1.23 -0.62 0.00 0.00 178.44 179.63 3khm h GLY 263 N 0.28 0.53 0.22 3.75 0.00 -1.60 -1.21 103.07 105.04 3khm h GLY 263 Ca 0.09 -0.27 0.21 0.00 0.00 0.00 0.00 47.33 47.36 3khm h GLY 263 CO -0.00 0.25 0.61 -1.33 0.00 0.00 0.00 176.54 176.07 3khm h GLY 264 N 0.41 1.02 1.90 4.60 0.00 -0.18 -0.58 103.07 110.24 3khm h GLY 264 Ca 0.12 -0.21 -0.15 0.00 0.00 0.00 0.00 47.33 47.08 3khm h GLY 264 CO -0.01 -0.02 -0.68 1.41 0.00 0.00 0.00 176.54 177.23 3khm h LEU 265 N 0.45 0.12 -0.65 3.11 3.38 -0.36 -3.17 115.31 118.20 3khm h LEU 265 Ca 0.50 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.35 3khm h LEU 265 Cb 1.18 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 3khm h LEU 265 CO -0.21 0.76 0.23 -0.07 0.09 0.00 0.00 178.44 179.24 3khm h LEU 266 N 0.07 0.92 -0.80 1.67 3.38 -0.69 -1.90 115.31 117.97 3khm h LEU 266 Ca -0.01 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3khm h LEU 266 Cb 1.21 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3khm h LEU 266 CO 0.10 0.86 0.00 0.29 0.09 0.00 0.00 178.44 179.78 3khm n LYS 267 N -4.39 0.11 -1.88 1.13 5.02 -1.17 -4.79 118.16 112.19 3khm n LYS 267 Ca 0.04 0.51 -0.41 0.00 -2.02 0.00 0.00 58.31 56.43 3khm n LYS 267 Cb 0.19 -1.79 -0.01 0.00 -0.02 0.00 0.00 35.03 33.40 3khm n LYS 267 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3khm s ALA 268 N -3.32 3.63 -0.01 7.82 0.00 -0.71 -5.02 121.76 124.15 3khm s ALA 268 Ca 0.01 1.48 0.02 0.00 0.00 0.00 0.00 51.96 53.47 3khm s ALA 268 Cb 0.06 -3.59 -0.00 0.00 0.00 0.00 0.00 23.12 19.58 3khm s ALA 268 CO 0.21 -0.91 -0.05 0.14 0.00 0.00 0.00 175.76 175.15 3khm s VAL 269 N -0.52 0.41 0.91 0.00 -7.23 -1.26 -4.12 120.40 108.58 3khm s VAL 269 Ca 0.57 -0.21 -0.14 0.00 -1.81 0.00 0.00 61.98 60.39 3khm s VAL 269 Cb -0.45 -0.35 0.15 0.00 0.56 0.00 0.00 36.38 36.28 3khm s VAL 269 CO 0.53 0.12 1.22 -0.31 -0.31 0.00 0.00 175.10 176.35 3khm s TYR 270 N -0.04 2.18 -1.65 2.82 2.02 0.41 -4.86 117.35 118.23 3khm s TYR 270 Ca 0.01 0.58 0.28 0.00 -0.37 0.00 0.00 57.07 57.57 3khm s TYR 270 Cb -0.03 -3.72 1.52 0.00 -0.40 0.00 0.00 41.96 39.32 3khm s TYR 270 CO -0.00 -2.36 1.99 -2.13 -1.57 0.00 0.00 175.55 171.48 3khm n ARG 271 N -3.66 0.59 -0.06 -0.62 0.63 -1.26 -2.28 116.66 110.00 3khm n ARG 271 Ca 0.11 0.02 0.04 0.00 -0.92 0.00 0.00 57.85 57.10 3khm n ARG 271 Cb 0.60 -1.50 0.07 0.00 0.45 0.00 0.00 32.46 32.08 3khm n ARG 271 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 3khm n ASP 272 N -1.17 2.13 -0.70 6.15 3.85 -1.26 -5.00 116.55 120.55 3khm n ASP 272 Ca 0.16 -1.64 0.00 0.00 -0.71 0.00 0.00 54.79 52.60 3khm n ASP 272 Cb 0.17 -0.08 0.00 0.00 -1.35 0.00 0.00 41.12 39.86 3khm n ASP 272 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3khm n GLY 273 N 0.35 0.51 3.00 6.12 0.00 -0.97 -5.10 105.19 109.10 3khm n GLY 273 Ca 0.06 -0.33 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 3khm n GLY 273 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3khm s THR 274 N -2.36 0.53 0.19 2.61 2.01 -1.26 -4.89 115.64 112.47 3khm s THR 274 Ca 0.00 -0.46 0.01 0.00 0.31 0.00 0.00 61.69 61.54 3khm s THR 274 Cb 0.00 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 3khm s THR 274 CO 0.00 0.02 0.36 -0.13 -0.69 0.00 0.00 174.62 174.18 3khm s ARG 275 N -0.49 3.49 0.17 4.92 0.52 -1.26 0.15 118.95 126.45 3khm s ARG 275 Ca -0.00 -0.45 -0.30 0.00 -0.52 0.00 0.00 55.73 54.45 3khm s ARG 275 Cb -0.04 -2.88 -0.08 0.00 0.52 0.00 0.00 34.95 32.46 3khm s ARG 275 CO -0.00 0.44 1.30 -1.64 0.02 0.00 0.00 175.30 175.42 3khm s MET 276 N -3.35 4.39 0.70 3.54 -1.94 -1.26 -4.96 119.30 116.42 3khm s MET 276 Ca 0.37 2.01 -0.11 0.00 -1.71 0.00 0.00 55.69 56.25 3khm s MET 276 Cb -0.11 -3.22 0.01 0.00 2.01 0.00 0.00 34.83 33.52 3khm s MET 276 CO 0.29 -0.27 1.08 -1.54 -0.01 0.00 0.00 175.02 174.57 3khm s SER 277 N 0.55 5.47 0.27 3.03 1.04 -1.26 -4.79 113.70 118.00 3khm s SER 277 Ca 0.58 1.25 -0.01 0.00 0.48 0.00 0.00 55.95 58.25 3khm s SER 277 Cb -0.35 -2.09 0.58 0.00 0.10 0.00 0.00 66.02 64.26 3khm s SER 277 CO 0.35 -1.34 1.70 0.25 0.98 0.00 0.00 173.24 175.18 3khm h LEU 278 N -0.65 0.19 -0.38 2.42 6.46 -1.99 0.53 115.31 121.89 3khm h LEU 278 Ca -0.45 0.15 0.05 0.00 -0.12 0.00 0.00 57.88 57.51 3khm h LEU 278 Cb 1.24 0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 41.28 3khm h LEU 278 CO 0.62 -0.00 0.11 -0.74 -0.62 0.00 0.00 178.44 177.82 3khm h HIS 279 N 0.36 0.20 -0.22 1.25 2.76 -1.97 0.21 115.15 117.74 3khm h HIS 279 Ca 0.48 0.02 -0.17 0.00 -2.20 0.00 0.00 60.37 58.51 3khm h HIS 279 Cb 0.86 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.78 3khm h HIS 279 CO -0.20 0.07 -0.54 0.93 -1.30 0.00 0.00 177.93 176.89 3khm h GLU 280 N 0.26 0.65 -0.03 5.26 5.08 -1.42 -2.11 114.58 122.26 3khm h GLU 280 Ca 0.18 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 3khm h GLU 280 Cb 0.18 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 3khm h GLU 280 CO -0.20 1.02 0.00 0.28 -1.00 0.00 0.00 179.01 179.11 3khm h VAL 281 N 0.50 1.24 -0.72 3.13 2.07 -0.71 -2.27 116.25 119.48 3khm h VAL 281 Ca 0.01 -0.73 0.11 0.00 0.82 0.00 0.00 66.70 66.91 3khm h VAL 281 Cb 1.10 1.67 -0.08 0.00 -1.52 0.00 0.00 31.29 32.46 3khm h VAL 281 CO 0.11 0.20 0.33 0.00 0.02 0.00 0.00 177.57 178.22 3khm h GLY 283 N 0.53 -0.24 0.84 0.00 0.00 -1.21 -0.40 103.07 102.59 3khm h GLY 283 Ca 0.37 0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.89 3khm h GLY 283 CO -0.32 -0.14 0.23 -0.33 0.00 0.00 0.00 176.54 175.98 3khm h MET 284 N -0.27 0.45 -0.04 4.80 2.86 -1.10 0.12 114.93 121.75 3khm h MET 284 Ca 0.02 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 3khm h MET 284 Cb 0.29 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 3khm h MET 284 CO -0.08 0.30 -0.00 0.82 1.06 0.00 0.00 176.91 179.01 3khm h ILE 285 N 0.47 0.97 -0.48 -1.22 2.04 -1.29 0.19 117.51 118.18 3khm h ILE 285 Ca 0.18 -0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.11 3khm h ILE 285 Cb 0.05 0.96 -0.07 0.00 -0.74 0.00 0.00 36.82 37.02 3khm h ILE 285 CO -0.10 0.00 0.09 0.58 0.00 0.00 0.00 178.15 178.72 3khm h VAL 286 N 0.01 0.73 -0.22 1.67 2.07 -0.62 0.27 116.25 120.16 3khm h VAL 286 Ca 0.02 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3khm h VAL 286 Cb 0.02 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 3khm h VAL 286 CO -0.04 0.04 0.15 0.00 0.02 0.00 0.00 177.57 177.74 3khm h ALA 287 N 1.38 0.28 -0.70 1.67 0.00 -0.40 0.25 119.26 121.75 3khm h ALA 287 Ca 0.24 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.20 3khm h ALA 287 Cb 0.32 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 3khm h ALA 287 CO -0.32 -0.25 0.40 0.00 0.00 0.00 0.00 179.25 179.08 3khm h ALA 288 N 1.08 0.94 -0.04 0.00 0.00 0.01 0.22 119.26 121.47 3khm h ALA 288 Ca 0.08 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 3khm h ALA 288 Cb -0.03 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.63 3khm h ALA 288 CO -0.02 0.08 -0.64 0.52 0.00 0.00 0.00 179.25 179.19 3khm h MET 289 N 0.73 0.50 0.21 0.00 2.86 -0.69 -2.60 114.93 115.93 3khm h MET 289 Ca 0.31 -0.49 -0.00 0.00 -2.06 0.00 0.00 59.70 57.46 3khm h MET 289 Cb 0.18 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 3khm h MET 289 CO -0.18 1.13 -0.17 0.35 1.06 0.00 0.00 176.91 179.10 3khm h PHE 290 N 0.06 -0.43 -0.77 -0.22 3.57 -0.32 0.03 116.94 118.87 3khm h PHE 290 Ca -0.07 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.55 3khm h PHE 290 Cb 1.32 0.16 -0.08 0.00 2.79 0.00 0.00 35.95 40.14 3khm h PHE 290 CO 0.13 -0.26 0.37 0.00 -2.23 0.00 0.00 178.31 176.32 3khm h ALA 291 N 0.38 1.10 -0.00 2.41 0.00 -0.62 -3.05 119.26 119.47 3khm h ALA 291 Ca -0.01 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3khm h ALA 291 Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3khm h ALA 291 CO -0.02 -0.10 -0.03 0.78 0.00 0.00 0.00 179.25 179.89 3khm h GLY 292 N 0.57 0.03 -0.58 0.00 0.00 -1.28 -3.30 103.07 98.51 3khm h GLY 292 Ca 0.40 -0.04 0.10 0.00 0.00 0.00 0.00 47.33 47.79 3khm h GLY 292 CO -0.33 0.04 -0.43 -1.61 0.00 0.00 0.00 176.54 174.21 3khm h GLN 293 N -0.71 -0.17 0.24 4.80 5.75 -0.87 -1.02 115.11 123.13 3khm h GLN 293 Ca -0.00 0.01 -0.33 0.00 -0.15 0.00 0.00 58.65 58.18 3khm h GLN 293 Cb 0.77 0.04 0.03 0.00 1.07 0.00 0.00 27.48 29.40 3khm h GLN 293 CO 0.01 -0.11 -1.45 0.45 -2.65 0.00 0.00 178.83 175.07 3khm h HIS 294 N -0.18 0.92 -0.39 3.99 3.86 -1.73 -2.60 115.15 119.02 3khm h HIS 294 Ca 0.21 -0.67 -0.16 0.00 -1.16 0.00 0.00 60.37 58.59 3khm h HIS 294 Cb 0.56 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 3khm h HIS 294 CO -0.74 1.56 -0.36 1.79 0.86 0.00 0.00 177.93 181.04 3khm h THR 295 N 0.09 1.27 0.03 2.45 1.35 -1.60 -2.89 112.91 113.61 3khm h THR 295 Ca -0.26 -1.53 -0.17 0.00 -0.55 0.00 0.00 66.41 63.90 3khm h THR 295 Cb 2.11 1.36 0.02 0.00 -1.73 0.00 0.00 68.15 69.91 3khm h THR 295 CO 0.25 0.51 -0.69 0.28 -0.25 0.00 0.00 175.52 175.63 3khm h SER 296 N 0.76 0.56 0.12 5.36 0.02 -1.30 -1.85 113.55 117.23 3khm h SER 296 Ca 0.07 -0.79 -0.01 0.00 -0.84 0.00 0.00 61.79 60.21 3khm h SER 296 Cb 0.95 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.32 3khm h SER 296 CO 0.09 1.29 -0.07 0.00 -1.14 0.00 0.00 176.83 177.00 3khm h THR 297 N -0.10 0.78 0.08 -2.27 1.03 -1.54 0.23 112.91 111.12 3khm h THR 297 Ca -0.09 -0.26 -0.14 0.00 -0.01 0.00 0.00 66.41 65.90 3khm h THR 297 Cb 1.42 1.15 0.01 0.00 -1.07 0.00 0.00 68.15 69.66 3khm h THR 297 CO 0.13 0.07 -0.68 0.40 -0.01 0.00 0.00 175.52 175.43 3khm h ILE 298 N 0.00 1.49 -1.00 0.00 2.04 -1.51 -2.53 117.51 116.00 3khm h ILE 298 Ca -0.00 -2.44 0.07 0.00 1.00 0.00 0.00 64.86 63.49 3khm h ILE 298 Cb 0.15 3.13 -0.07 0.00 -0.74 0.00 0.00 36.82 39.28 3khm h ILE 298 CO 0.01 0.65 0.64 0.74 0.00 0.00 0.00 178.15 180.20 3khm h THR 299 N -0.60 1.07 -0.30 -0.27 2.02 -0.90 0.73 112.91 114.66 3khm h THR 299 Ca -0.14 -0.40 -0.08 0.00 0.77 0.00 0.00 66.41 66.56 3khm h THR 299 Cb 1.44 -0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 3khm h THR 299 CO 0.07 0.21 -0.14 0.74 0.37 0.00 0.00 175.52 176.77 3khm h THR 300 N 1.15 1.29 0.48 3.16 2.02 -0.66 -2.19 112.91 118.17 3khm h THR 300 Ca 0.43 -1.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.35 3khm h THR 300 Cb 0.19 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 3khm h THR 300 CO -0.18 0.40 -0.23 0.28 0.37 0.00 0.00 175.52 176.16 3khm h SER 301 N 0.37 -0.54 -0.56 4.18 0.02 -0.97 -1.99 113.55 114.07 3khm h SER 301 Ca 0.07 -0.01 0.10 0.00 -0.84 0.00 0.00 61.79 61.11 3khm h SER 301 Cb 0.66 0.14 -0.08 0.00 0.14 0.00 0.00 62.40 63.26 3khm h SER 301 CO 0.04 -0.35 0.12 -0.50 -1.14 0.00 0.00 176.83 175.00 3khm h TRP 302 N -0.69 0.18 0.18 3.45 -0.00 -0.91 -1.10 115.95 117.06 3khm h TRP 302 Ca -0.07 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 58.85 3khm h TRP 302 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.68 3khm h TRP 302 CO -0.03 -0.02 -0.09 0.77 -0.00 0.00 0.00 178.44 179.07 3khm h SER 303 N 0.25 -0.21 -0.06 -3.49 0.02 -1.27 -1.38 113.55 107.41 3khm h SER 303 Ca 0.29 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.24 3khm h SER 303 Cb 0.41 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 3khm h SER 303 CO -0.37 -0.14 0.04 0.24 -1.14 0.00 0.00 176.83 175.46 3khm h MET 304 N -0.26 0.04 -0.13 3.45 2.86 -1.03 -2.51 114.93 117.36 3khm h MET 304 Ca -0.03 -0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.48 3khm h MET 304 Cb 0.20 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.85 3khm h MET 304 CO 0.04 0.03 -0.44 -0.07 1.06 0.00 0.00 176.91 177.53 3khm h LEU 305 N 0.04 0.61 0.58 1.22 3.38 -0.38 -1.67 115.31 119.08 3khm h LEU 305 Ca 0.03 -0.61 -0.03 0.00 0.09 0.00 0.00 57.88 57.36 3khm h LEU 305 Cb 0.05 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.62 3khm h LEU 305 CO -0.00 1.12 -0.28 0.45 0.09 0.00 0.00 178.44 179.82 3khm h HIS 306 N 0.14 -0.72 -1.18 1.13 3.86 -0.99 -2.47 115.15 114.92 3khm h HIS 306 Ca -0.02 -0.02 0.34 0.00 -1.16 0.00 0.00 60.37 59.51 3khm h HIS 306 Cb 1.07 0.24 -0.05 0.00 1.06 0.00 0.00 27.41 29.73 3khm h HIS 306 CO 0.11 -0.45 0.85 -0.07 0.86 0.00 0.00 177.93 179.22 3khm h LEU 307 N -0.83 0.01 -0.71 2.43 3.38 -1.56 0.14 115.31 118.17 3khm h LEU 307 Ca -0.08 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 3khm h LEU 307 Cb 0.60 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3khm h LEU 307 CO 0.13 0.00 -0.58 -0.03 0.09 0.00 0.00 178.44 178.05 3khm h MET 308 N 0.01 0.00 -6.60 1.13 4.05 -1.00 -3.44 114.93 109.08 3khm h MET 308 Ca 0.56 0.00 -0.52 0.00 -0.28 0.00 0.00 59.70 59.46 3khm h MET 308 Cb 2.24 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 33.04 3khm h MET 308 CO -0.02 0.58 0.49 -1.58 0.23 0.00 0.00 176.91 176.61 3khm s HIS 309 N -3.50 3.57 0.56 1.39 5.04 0.49 -4.60 115.29 118.25 3khm s HIS 309 Ca -0.00 1.55 0.26 0.00 -1.54 0.00 0.00 55.06 55.33 3khm s HIS 309 Cb 0.12 -3.29 1.52 0.00 0.04 0.00 0.00 32.58 30.96 3khm s HIS 309 CO 0.75 -0.69 2.05 -1.35 -2.34 0.00 0.00 174.74 173.15 3khm h PRO 310 N 5.59 0.00 0.00 2.88 0.11 -1.86 0.25 132.00 138.97 3khm h PRO 310 Ca -0.43 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 3khm h PRO 310 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3khm h PRO 310 CO 0.74 0.00 -0.05 -0.22 -0.21 0.00 0.00 178.00 178.27 3khm h LYS 311 N 0.00 0.00 -0.77 1.05 1.63 -1.91 -2.60 116.57 113.98 3khm h LYS 311 Ca 0.14 0.00 -0.47 0.00 -0.85 0.00 0.00 60.65 59.47 3khm h LYS 311 Cb 0.68 0.00 -0.26 0.00 -0.60 0.00 0.00 32.23 32.05 3khm h LYS 311 CO -0.00 0.05 0.26 0.09 -3.45 0.00 0.00 179.45 176.40 3khm n ASN 312 N -4.45 4.70 -0.04 4.20 3.02 0.89 -4.65 115.26 118.92 3khm n ASN 312 Ca -0.03 -3.74 -0.09 0.00 -0.03 0.00 0.00 54.58 50.69 3khm n ASN 312 Cb 0.13 -0.74 -0.03 0.00 -0.61 0.00 0.00 39.78 38.53 3khm n ASN 312 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 3khm h LYS 313 N 1.48 0.18 -0.77 3.52 1.63 -1.48 -2.56 116.57 118.58 3khm h LYS 313 Ca 0.46 -0.01 0.18 0.00 -0.85 0.00 0.00 60.65 60.43 3khm h LYS 313 Cb 1.70 -0.04 -0.12 0.00 -0.60 0.00 0.00 32.23 33.16 3khm h LYS 313 CO 0.98 0.12 0.13 -0.22 -3.45 0.00 0.00 179.45 177.01 3khm h LYS 314 N 0.19 0.19 -0.05 1.90 3.64 -1.86 0.43 116.57 121.01 3khm h LYS 314 Ca 0.08 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.32 3khm h LYS 314 Cb 0.04 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3khm h LYS 314 CO -0.07 0.13 -0.58 -1.49 -2.27 0.00 0.00 179.45 175.16 3khm h TRP 315 N 0.20 0.21 -0.34 1.91 4.06 -1.88 -2.62 115.95 117.49 3khm h TRP 315 Ca 0.44 -0.08 -0.09 0.00 2.06 0.00 0.00 58.89 61.23 3khm h TRP 315 Cb 0.79 -0.04 -0.02 0.00 -1.00 0.00 0.00 29.16 28.89 3khm h TRP 315 CO -0.32 0.70 -0.15 1.25 -3.56 0.00 0.00 178.44 176.37 3khm h LEU 316 N 0.12 0.60 0.05 -4.49 5.85 -0.58 -1.93 115.31 114.93 3khm h LEU 316 Ca -0.00 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 3khm h LEU 316 Cb 1.06 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.93 3khm h LEU 316 CO 0.09 0.77 -0.02 0.44 -0.34 0.00 0.00 178.44 179.37 3khm h ASP 317 N 0.55 -0.05 0.87 1.25 3.32 -0.75 -1.93 116.42 119.68 3khm h ASP 317 Ca 0.09 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 3khm h ASP 317 Cb 0.57 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 3khm h ASP 317 CO 0.04 0.00 -0.02 0.11 -1.72 0.00 0.00 179.24 177.65 3khm h LYS 318 N -0.10 0.00 -0.22 3.56 1.57 -1.38 0.97 116.57 120.97 3khm h LYS 318 Ca -0.01 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 3khm h LYS 318 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3khm h LYS 318 CO 0.01 0.02 -0.43 1.25 -0.57 0.00 0.00 179.45 179.73 3khm h LEU 319 N 0.00 0.76 -0.48 2.94 5.85 -1.03 -2.99 115.31 120.37 3khm h LEU 319 Ca -0.00 -0.54 -0.17 0.00 0.84 0.00 0.00 57.88 58.01 3khm h LEU 319 Cb 0.46 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 3khm h LEU 319 CO 0.00 1.16 -0.57 0.45 -0.34 0.00 0.00 178.44 179.14 3khm h HIS 320 N 0.38 0.73 -1.07 1.25 3.86 -0.55 -1.15 115.15 118.60 3khm h HIS 320 Ca 0.01 -0.27 0.30 0.00 -1.16 0.00 0.00 60.37 59.25 3khm h HIS 320 Cb 1.03 -0.14 -0.11 0.00 1.06 0.00 0.00 27.41 29.25 3khm h HIS 320 CO 0.09 1.01 0.67 -0.22 0.86 0.00 0.00 177.93 180.34 3khm h LYS 321 N 0.44 0.36 0.18 2.45 3.64 -0.87 -1.80 116.57 120.97 3khm h LYS 321 Ca 0.00 -0.02 -0.30 0.00 -1.27 0.00 0.00 60.65 59.06 3khm h LYS 321 Cb 1.12 -0.08 0.02 0.00 -0.41 0.00 0.00 32.23 32.89 3khm h LYS 321 CO 0.11 0.24 -1.34 0.93 -2.27 0.00 0.00 179.45 177.11 3khm h GLU 322 N 0.37 0.44 -0.15 1.90 5.08 -1.08 -3.39 114.58 117.75 3khm h GLU 322 Ca 0.66 -0.72 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3khm h GLU 322 Cb 1.65 0.26 0.00 0.00 0.50 0.00 0.00 28.75 31.16 3khm h GLU 322 CO -0.38 1.34 0.00 0.44 -1.00 0.00 0.00 179.01 179.41 3khm n ILE 323 N -3.66 0.50 0.10 3.13 -5.35 -0.82 -4.48 119.36 108.78 3khm n ILE 323 Ca -0.13 -0.75 -0.20 0.00 -0.27 0.00 0.00 62.75 61.40 3khm n ILE 323 Cb 1.05 0.85 -0.12 0.00 -1.74 0.00 0.00 39.64 39.68 3khm n ILE 323 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 3khm h ASP 324 N 1.80 0.72 0.48 7.28 5.19 -1.53 -3.25 116.42 127.11 3khm h ASP 324 Ca 0.00 -0.69 0.00 0.00 -0.62 0.00 0.00 57.03 55.72 3khm h ASP 324 Cb 0.55 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.83 3khm h ASP 324 CO 0.00 1.51 -0.06 -0.62 -3.12 0.00 0.00 179.24 176.96 3khm n GLU 325 N -3.72 0.53 -2.62 3.56 1.02 -1.26 -4.78 120.64 113.36 3khm n GLU 325 Ca -0.12 -0.09 -0.39 0.00 -0.02 0.00 0.00 57.16 56.54 3khm n GLU 325 Cb 0.99 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.86 3khm n GLU 325 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3khm s PHE 326 N -2.54 3.65 0.96 -0.32 2.99 -1.23 -5.06 117.98 116.43 3khm s PHE 326 Ca 0.28 1.76 -0.12 0.00 0.00 0.00 0.00 56.93 58.86 3khm s PHE 326 Cb 0.20 -3.10 0.16 0.00 0.00 0.00 0.00 43.02 40.28 3khm s PHE 326 CO 0.47 -0.15 1.11 -1.25 -0.00 0.00 0.00 175.22 175.40 3khm s PRO 327 N -1.71 0.77 0.49 0.24 0.04 -1.26 -4.94 135.00 128.63 3khm s PRO 327 Ca 0.47 0.47 0.16 0.00 0.04 0.00 0.00 61.00 62.14 3khm s PRO 327 Cb -0.26 -1.78 1.16 0.00 0.04 0.00 0.00 34.50 33.66 3khm s PRO 327 CO 0.33 -2.49 2.07 0.00 0.04 0.00 0.00 177.00 176.95 3khm h ALA 328 N -1.72 1.80 -2.53 8.56 0.00 -1.97 -3.36 119.26 120.03 3khm h ALA 328 Ca -0.53 -0.09 -0.73 0.00 0.00 0.00 0.00 54.91 53.57 3khm h ALA 328 Cb 1.32 -0.02 -0.25 0.00 0.00 0.00 0.00 17.79 18.85 3khm h ALA 328 CO 0.59 0.12 -0.40 -0.65 0.00 0.00 0.00 179.25 178.91 3khm s GLN 329 N -4.80 2.82 0.49 0.00 1.11 -1.26 -5.08 119.66 112.94 3khm s GLN 329 Ca -0.04 -1.37 -0.17 0.00 0.01 0.00 0.00 55.36 53.78 3khm s GLN 329 Cb 0.16 -3.96 -0.08 0.00 -1.01 0.00 0.00 33.01 28.11 3khm s GLN 329 CO 0.68 -0.97 0.96 -0.51 0.01 0.00 0.00 175.29 175.45 3khm s LEU 330 N 1.55 3.70 0.29 2.90 1.43 -1.26 -5.09 118.68 122.20 3khm s LEU 330 Ca 0.03 1.55 0.05 0.00 -1.03 0.00 0.00 54.13 54.74 3khm s LEU 330 Cb -0.23 -4.47 -0.06 0.00 0.03 0.00 0.00 46.19 41.46 3khm s LEU 330 CO 0.05 -0.53 -0.02 0.54 0.23 0.00 0.00 176.35 176.62 3khm s ASN 331 N -2.91 2.56 0.27 2.29 4.22 -1.26 -4.38 114.94 115.72 3khm s ASN 331 Ca 0.59 -1.25 -0.04 0.00 -2.14 0.00 0.00 52.86 50.02 3khm s ASN 331 Cb -0.10 -0.13 0.54 0.00 1.28 0.00 0.00 41.25 42.84 3khm s ASN 331 CO 0.28 -0.44 1.62 0.22 -2.04 0.00 0.00 177.10 176.74 3khm h TYR 332 N 2.25 -0.02 -0.69 1.54 3.20 -1.89 -0.23 116.97 121.13 3khm h TYR 332 Ca -0.40 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.53 3khm h TYR 332 Cb 1.23 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 39.61 3khm h TYR 332 CO 0.64 -0.28 0.45 -0.44 -1.64 0.00 0.00 178.16 176.89 3khm h ASP 333 N 0.09 0.80 -0.59 -2.11 3.32 -1.97 -0.32 116.42 115.64 3khm h ASP 333 Ca 0.47 -0.03 0.07 0.00 0.02 0.00 0.00 57.03 57.56 3khm h ASP 333 Cb 0.88 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 40.16 3khm h ASP 333 CO -0.73 0.59 0.27 0.78 -1.72 0.00 0.00 179.24 178.42 3khm h ASN 334 N 0.94 0.34 0.13 6.45 2.35 -1.42 -1.23 115.58 123.14 3khm h ASN 334 Ca 0.25 0.05 -0.25 0.00 -0.55 0.00 0.00 56.30 55.81 3khm h ASN 334 Cb -0.09 -0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.28 3khm h ASN 334 CO -0.05 0.22 -1.22 0.58 -1.65 0.00 0.00 177.43 175.31 3khm h VAL 335 N 0.50 1.19 -0.15 2.81 2.07 -1.43 -2.72 116.25 118.52 3khm h VAL 335 Ca 0.28 -2.45 -0.17 0.00 0.82 0.00 0.00 66.70 65.19 3khm h VAL 335 Cb 0.27 2.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 3khm h VAL 335 CO -0.23 0.70 -0.61 -0.03 0.02 0.00 0.00 177.57 177.42 3khm h MET 336 N -0.33 0.50 0.00 1.57 1.85 -1.00 -3.28 114.93 114.24 3khm h MET 336 Ca -0.25 -0.34 0.00 0.00 -0.61 0.00 0.00 59.70 58.50 3khm h MET 336 Cb 1.73 0.05 0.00 0.00 0.43 0.00 0.00 31.60 33.81 3khm h MET 336 CO 0.09 0.96 0.00 -0.25 -0.40 0.00 0.00 176.91 177.31 3khm n ASP 337 N -3.92 0.73 -0.60 1.39 8.00 -0.48 -4.76 116.55 116.92 3khm n ASP 337 Ca -0.04 -1.06 0.02 0.00 0.71 0.00 0.00 54.79 54.43 3khm n ASP 337 Cb 0.64 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.77 3khm n ASP 337 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3khm n GLU 338 N -0.03 0.23 -3.15 -1.24 1.02 -1.04 -4.85 120.64 111.58 3khm n GLU 338 Ca 0.00 -1.45 -0.21 0.00 -0.02 0.00 0.00 57.16 55.48 3khm n GLU 338 Cb 0.10 -0.60 -0.04 0.00 -0.02 0.00 0.00 31.44 30.89 3khm n GLU 338 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3khm n MET 339 N -0.16 1.42 -0.03 3.49 2.81 -1.16 -4.83 117.12 118.67 3khm n MET 339 Ca 0.04 -3.69 -0.13 0.00 -1.81 0.00 0.00 57.70 52.11 3khm n MET 339 Cb 0.76 -1.77 -0.09 0.00 -0.71 0.00 0.00 33.22 31.41 3khm n MET 339 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 3khm h PRO 340 N 3.15 0.13 -0.76 0.03 0.13 -1.89 -2.94 132.00 129.86 3khm h PRO 340 Ca 0.11 -0.07 -0.05 0.00 -0.87 0.00 0.00 66.00 65.12 3khm h PRO 340 Cb 0.86 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.96 3khm h PRO 340 CO 0.57 0.57 0.27 0.35 -0.23 0.00 0.00 178.00 179.52 3khm h PHE 341 N -0.31 1.18 -0.68 1.56 3.57 -1.95 -2.31 116.94 118.01 3khm h PHE 341 Ca 0.01 -0.10 0.07 0.00 3.53 0.00 0.00 57.97 61.48 3khm h PHE 341 Cb 0.54 -0.35 -0.06 0.00 2.79 0.00 0.00 35.95 38.87 3khm h PHE 341 CO 0.09 0.91 0.36 0.00 -2.23 0.00 0.00 178.31 177.44 3khm h ALA 342 N 1.17 0.91 -0.33 2.41 0.00 -1.94 -1.38 119.26 120.10 3khm h ALA 342 Ca 0.25 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 3khm h ALA 342 Cb 0.26 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3khm h ALA 342 CO -0.01 0.02 -0.12 1.49 0.00 0.00 0.00 179.25 180.62 3khm h GLU 343 N 0.65 0.56 -0.50 0.00 4.81 -1.28 -2.47 114.58 116.36 3khm h GLU 343 Ca 0.31 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3khm h GLU 343 Cb 0.24 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 3khm h GLU 343 CO -0.21 0.67 0.31 0.00 -0.73 0.00 0.00 179.01 179.06 3khm h ARG 344 N 0.52 0.67 -0.49 1.92 3.08 -0.76 0.70 114.38 120.02 3khm h ARG 344 Ca 0.09 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.15 3khm h ARG 344 Cb 0.52 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.37 3khm h ARG 344 CO 0.03 0.47 0.19 0.00 -1.07 0.00 0.00 179.97 179.60 3khm h VAL 346 N 0.39 1.25 0.01 0.00 2.07 -1.06 -0.71 116.25 118.19 3khm h VAL 346 Ca 0.23 -0.91 0.01 0.00 0.82 0.00 0.00 66.70 66.85 3khm h VAL 346 Cb 0.21 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3khm h VAL 346 CO -0.21 0.31 -0.08 -0.09 0.02 0.00 0.00 177.57 177.52 3khm h ARG 347 N 0.58 -0.14 -0.35 1.57 2.43 -0.50 -1.00 114.38 116.96 3khm h ARG 347 Ca 0.13 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 3khm h ARG 347 Cb 0.39 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 3khm h ARG 347 CO 0.01 -0.10 0.08 1.49 -1.51 0.00 0.00 179.97 179.95 3khm h GLU 348 N -0.15 0.52 -0.32 0.20 4.57 -0.73 0.31 114.58 118.98 3khm h GLU 348 Ca 0.03 -0.08 -0.11 0.00 -1.18 0.00 0.00 59.36 58.01 3khm h GLU 348 Cb 0.18 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 3khm h GLU 348 CO -0.08 0.48 -0.27 0.77 -1.18 0.00 0.00 179.01 178.73 3khm h SER 349 N 0.51 0.66 0.11 1.04 0.02 -0.84 0.36 113.55 115.41 3khm h SER 349 Ca 0.12 -0.25 -0.18 0.00 -0.84 0.00 0.00 61.79 60.64 3khm h SER 349 Cb 0.20 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 3khm h SER 349 CO -0.00 0.91 -0.67 0.40 -1.14 0.00 0.00 176.83 176.33 3khm h ILE 350 N 0.56 1.34 0.43 3.27 2.04 -0.18 -2.61 117.51 122.36 3khm h ILE 350 Ca 0.07 -1.98 -0.02 0.00 1.00 0.00 0.00 64.86 63.93 3khm h ILE 350 Cb 0.76 1.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.80 3khm h ILE 350 CO 0.06 0.61 -0.21 -0.09 0.00 0.00 0.00 178.15 178.52 3khm h ARG 351 N 0.37 -0.56 -0.47 2.37 2.43 -0.18 -1.03 114.38 117.32 3khm h ARG 351 Ca -0.02 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3khm h ARG 351 Cb 1.24 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.89 3khm h ARG 351 CO 0.12 -0.28 0.25 -0.09 -1.51 0.00 0.00 179.97 178.46 3khm h ARG 352 N -0.78 0.66 -2.15 0.20 2.43 -1.01 -3.34 114.38 110.39 3khm h ARG 352 Ca -0.06 -0.09 -0.58 0.00 -0.81 0.00 0.00 59.98 58.45 3khm h ARG 352 Cb 0.54 -0.13 -0.40 0.00 -0.42 0.00 0.00 29.97 29.56 3khm h ARG 352 CO 0.10 0.54 -0.89 -0.25 -1.51 0.00 0.00 179.97 177.95 3khm n ASP 353 N -4.66 1.53 -4.71 -3.80 10.43 -0.98 -5.00 116.55 109.36 3khm n ASP 353 Ca 0.01 -2.96 -0.42 0.00 2.57 0.00 0.00 54.79 53.99 3khm n ASP 353 Cb 0.09 -0.65 -0.03 0.00 1.84 0.00 0.00 41.12 42.37 3khm n ASP 353 CO 0.00 0.00 0.00 -0.81 -1.07 0.00 0.00 177.20 175.32 3khm n PRO 354 N 1.34 2.78 -0.12 -0.24 -0.04 -0.39 -4.67 135.00 133.66 3khm n PRO 354 Ca 0.25 1.00 -0.02 0.00 -0.04 0.00 0.00 63.50 64.69 3khm n PRO 354 Cb 0.48 -2.86 0.22 0.00 -0.04 0.00 0.00 33.50 31.29 3khm n PRO 354 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3khm h PRO 355 N 7.12 0.80 -5.31 0.54 0.13 -1.81 -3.40 132.00 130.07 3khm h PRO 355 Ca -0.44 -0.15 -0.66 0.00 -0.87 0.00 0.00 66.00 63.89 3khm h PRO 355 Cb 1.21 -0.13 -0.16 0.00 0.13 0.00 0.00 31.00 32.05 3khm h PRO 355 CO 0.96 0.70 0.11 -0.51 -0.23 0.00 0.00 178.00 179.02 3khm s LEU 356 N -9.37 4.59 0.04 1.56 1.43 -1.26 0.64 118.68 116.32 3khm s LEU 356 Ca -0.10 -0.47 -0.20 0.00 -1.03 0.00 0.00 54.13 52.33 3khm s LEU 356 Cb 0.16 -2.66 -0.11 0.00 0.03 0.00 0.00 46.19 43.61 3khm s LEU 356 CO 0.79 -0.80 1.31 0.25 0.23 0.00 0.00 176.35 178.12 3khm h LEU 357 N 9.70 -0.68 -8.72 1.79 7.12 -0.81 -3.41 115.31 120.31 3khm h LEU 357 Ca -0.26 0.03 -0.35 0.00 0.13 0.00 0.00 57.88 57.44 3khm h LEU 357 Cb 1.10 0.19 -0.15 0.00 -0.53 0.00 0.00 40.66 41.27 3khm h LEU 357 CO 0.91 -0.42 -0.71 -0.04 -0.13 0.00 0.00 178.44 178.05 3khm s MET 358 N -4.60 1.14 -0.03 1.25 -1.94 -1.26 -3.36 119.30 110.49 3khm s MET 358 Ca -0.10 -1.51 0.05 0.00 -1.71 0.00 0.00 55.69 52.42 3khm s MET 358 Cb 0.01 -0.67 -0.01 0.00 2.01 0.00 0.00 34.83 36.18 3khm s MET 358 CO 0.33 0.06 -0.18 0.14 -0.01 0.00 0.00 175.02 175.35 3khm s VAL 359 N -3.31 1.47 0.16 -6.03 -7.23 -0.55 -4.97 120.40 99.95 3khm s VAL 359 Ca 0.19 -0.76 0.06 0.00 -1.81 0.00 0.00 61.98 59.66 3khm s VAL 359 Cb 0.03 -1.25 -0.04 0.00 0.56 0.00 0.00 36.38 35.68 3khm s VAL 359 CO 0.03 0.42 -0.13 -0.04 -0.31 0.00 0.00 175.10 175.07 3khm s MET 360 N -0.13 1.14 -0.06 4.82 1.00 -1.26 -0.36 119.30 124.44 3khm s MET 360 Ca -0.00 -1.42 -0.21 0.00 0.00 0.00 0.00 55.69 54.07 3khm s MET 360 Cb -0.10 -0.90 0.04 0.00 0.00 0.00 0.00 34.83 33.87 3khm s MET 360 CO 0.01 0.15 0.47 1.03 0.00 0.00 0.00 175.02 176.69 3khm s ARG 361 N -3.30 0.78 -0.10 2.03 0.52 -0.29 -4.71 118.95 113.88 3khm s ARG 361 Ca 0.16 0.15 -0.28 0.00 -0.52 0.00 0.00 55.73 55.23 3khm s ARG 361 Cb -0.01 0.36 -0.02 0.00 0.52 0.00 0.00 34.95 35.80 3khm s ARG 361 CO 0.04 -0.21 0.94 1.41 0.02 0.00 0.00 175.30 177.49 3khm s MET 362 N -0.94 4.42 -0.44 3.54 -2.45 0.43 -1.02 119.30 122.84 3khm s MET 362 Ca -0.10 1.27 -0.29 0.00 -1.25 0.00 0.00 55.69 55.32 3khm s MET 362 Cb -0.03 -3.53 0.03 0.00 1.25 0.00 0.00 34.83 32.55 3khm s MET 362 CO 0.05 -0.24 1.11 0.08 1.05 0.00 0.00 175.02 177.07 3khm s VAL 363 N 1.77 4.30 -0.10 10.11 1.01 0.02 -0.86 120.40 136.65 3khm s VAL 363 Ca 0.46 1.32 0.07 0.00 0.00 0.00 0.00 61.98 63.82 3khm s VAL 363 Cb -0.18 -4.55 -0.24 0.00 0.00 0.00 0.00 36.38 31.41 3khm s VAL 363 CO 0.18 -0.87 0.46 0.29 0.00 0.00 0.00 175.10 175.16 3khm n LYS 364 N 7.55 0.68 -4.25 2.72 5.02 -0.53 -0.21 118.16 129.14 3khm n LYS 364 Ca 0.12 0.25 -0.14 0.00 -2.02 0.00 0.00 58.31 56.51 3khm n LYS 364 Cb 0.48 -1.72 -0.10 0.00 -0.02 0.00 0.00 35.03 33.67 3khm n LYS 364 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3khm s ALA 365 N -2.57 1.43 0.35 7.82 0.00 -1.22 -4.69 121.76 122.88 3khm s ALA 365 Ca -0.12 -1.54 -0.28 0.00 0.00 0.00 0.00 51.96 50.01 3khm s ALA 365 Cb 0.07 0.24 -0.12 0.00 0.00 0.00 0.00 23.12 23.32 3khm s ALA 365 CO 0.80 -0.19 1.40 0.39 0.00 0.00 0.00 175.76 178.16 3khm n GLU 366 N -0.22 2.40 -4.26 0.00 -0.58 -1.26 -4.57 120.64 112.14 3khm n GLU 366 Ca -0.09 0.84 -0.17 0.00 -0.42 0.00 0.00 57.16 57.32 3khm n GLU 366 Cb 0.62 -2.50 -0.14 0.00 -0.57 0.00 0.00 31.44 28.84 3khm n GLU 366 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 3khm s VAL 367 N -0.99 0.64 -0.03 2.62 -7.23 -1.18 -5.03 120.40 109.21 3khm s VAL 367 Ca 0.56 -0.51 -0.27 0.00 -1.81 0.00 0.00 61.98 59.95 3khm s VAL 367 Cb -0.53 -0.57 -0.03 0.00 0.56 0.00 0.00 36.38 35.81 3khm s VAL 367 CO 0.62 0.07 0.85 -0.75 -0.31 0.00 0.00 175.10 175.57 3khm s LYS 368 N -0.49 4.51 -0.22 4.82 2.47 -1.26 -2.75 119.74 126.81 3khm s LYS 368 Ca 0.01 1.17 -0.03 0.00 -1.56 0.00 0.00 55.97 55.56 3khm s LYS 368 Cb -0.04 -3.45 0.07 0.00 -1.46 0.00 0.00 37.83 32.94 3khm s LYS 368 CO -0.00 0.01 0.06 0.08 0.16 0.00 0.00 175.35 175.66 3khm s VAL 369 N 0.87 0.47 0.00 4.02 1.01 -0.77 -4.86 120.40 121.14 3khm s VAL 369 Ca 0.45 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.75 3khm s VAL 369 Cb -0.20 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.10 3khm s VAL 369 CO 0.23 -0.34 0.00 0.61 0.00 0.00 0.00 175.10 175.61 3khm n GLY 370 N 5.06 3.19 0.09 4.51 0.00 -1.26 -0.20 105.19 116.58 3khm n GLY 370 Ca -0.07 0.27 -0.01 0.00 0.00 0.00 0.00 46.02 46.20 3khm n GLY 370 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3khm n SER 371 N 8.30 0.81 -3.04 1.61 3.41 -1.26 -4.99 113.62 118.47 3khm n SER 371 Ca 0.00 0.36 -0.12 0.00 -0.26 0.00 0.00 58.87 58.85 3khm n SER 371 Cb 0.00 0.20 0.08 0.00 -0.26 0.00 0.00 64.21 64.23 3khm n SER 371 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3khm n TYR 372 N -2.89 -3.60 -3.72 7.33 4.02 0.72 -4.91 117.16 114.12 3khm n TYR 372 Ca -0.12 -0.68 -0.14 0.00 -0.01 0.00 0.00 57.90 56.95 3khm n TYR 372 Cb 0.88 -0.41 -0.08 0.00 -0.02 0.00 0.00 39.34 39.70 3khm n TYR 372 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3khm s VAL 373 N -1.85 0.05 -0.12 -0.72 1.01 -1.18 -1.85 120.40 115.74 3khm s VAL 373 Ca 0.33 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.92 3khm s VAL 373 Cb -0.01 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.64 3khm s VAL 373 CO 0.23 -0.23 -0.21 0.68 0.00 0.00 0.00 175.10 175.56 3khm s VAL 374 N -1.50 2.22 0.57 2.92 -7.23 -1.11 -4.22 120.40 112.05 3khm s VAL 374 Ca -0.12 -0.95 -0.07 0.00 -1.81 0.00 0.00 61.98 59.04 3khm s VAL 374 Cb -0.04 -1.88 -0.01 0.00 0.56 0.00 0.00 36.38 35.02 3khm s VAL 374 CO 0.04 0.55 0.90 -2.16 -0.31 0.00 0.00 175.10 174.11 3khm s PRO 375 N 0.54 3.15 0.67 4.82 0.04 -1.26 -3.10 135.00 139.87 3khm s PRO 375 Ca -0.13 0.16 -0.17 0.00 0.04 0.00 0.00 61.00 60.90 3khm s PRO 375 Cb -0.17 -2.26 -0.01 0.00 0.04 0.00 0.00 34.50 32.10 3khm s PRO 375 CO 0.04 -0.57 1.05 1.17 0.04 0.00 0.00 177.00 178.73 3khm n LYS 376 N -2.54 0.76 0.00 4.56 4.81 -1.26 -3.17 118.16 121.32 3khm n LYS 376 Ca 0.04 0.31 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 3khm n LYS 376 Cb 0.56 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 33.33 3khm n LYS 376 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3khm n GLY 377 N 1.11 3.06 3.75 3.14 0.00 0.71 -5.01 105.19 111.95 3khm n GLY 377 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 3khm n GLY 377 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3khm s ASP 378 N -0.06 3.02 -0.19 1.61 -0.00 -1.19 -4.76 116.67 115.10 3khm s ASP 378 Ca 0.00 0.92 -0.02 0.00 -0.00 0.00 0.00 52.55 53.45 3khm s ASP 378 Cb 0.00 -1.44 -0.00 0.00 -0.00 0.00 0.00 42.92 41.48 3khm s ASP 378 CO 0.00 -2.85 -0.11 -0.63 -0.00 0.00 0.00 175.17 171.58 3khm s ILE 379 N -3.23 2.89 -0.21 0.77 1.09 -0.89 -0.80 121.20 120.82 3khm s ILE 379 Ca 0.66 -0.67 -0.09 0.00 -1.10 0.00 0.00 60.65 59.44 3khm s ILE 379 Cb -0.14 -2.27 -0.05 0.00 -1.06 0.00 0.00 42.46 38.94 3khm s ILE 379 CO 0.54 0.48 0.12 -0.51 -0.10 0.00 0.00 174.94 175.47 3khm s ILE 380 N 1.19 5.14 0.31 2.92 2.07 -0.19 -0.83 121.20 131.82 3khm s ILE 380 Ca 0.02 0.10 0.10 0.00 -1.41 0.00 0.00 60.65 59.45 3khm s ILE 380 Cb -0.14 -3.36 -0.05 0.00 0.13 0.00 0.00 42.46 39.04 3khm s ILE 380 CO -0.04 0.41 -0.03 0.00 -1.91 0.00 0.00 174.94 173.37 3khm s ALA 381 N 0.67 3.11 -0.12 1.50 0.00 0.64 -1.14 121.76 126.42 3khm s ALA 381 Ca 0.06 -1.88 -0.04 0.00 0.00 0.00 0.00 51.96 50.10 3khm s ALA 381 Cb -0.12 -0.44 0.06 0.00 0.00 0.00 0.00 23.12 22.62 3khm s ALA 381 CO 0.01 0.15 0.22 0.00 0.00 0.00 0.00 175.76 176.14 3khm s SER 383 N 2.36 5.51 0.34 0.00 0.15 -1.26 -1.48 113.70 119.32 3khm s SER 383 Ca 0.02 -1.12 0.10 0.00 0.70 0.00 0.00 55.95 55.65 3khm s SER 383 Cb -0.12 -1.94 0.87 0.00 -1.71 0.00 0.00 66.02 63.12 3khm s SER 383 CO -0.08 -0.37 1.79 -0.65 1.20 0.00 0.00 173.24 175.13 3khm h PRO 384 N 8.32 0.61 -0.07 5.44 0.11 -1.79 0.13 132.00 144.75 3khm h PRO 384 Ca -0.24 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 3khm h PRO 384 Cb 1.09 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 3khm h PRO 384 CO 0.64 0.40 0.02 1.25 -0.21 0.00 0.00 178.00 180.11 3khm h LEU 385 N 0.63 0.11 -0.17 2.35 5.85 -1.82 0.03 115.31 122.30 3khm h LEU 385 Ca 0.57 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 59.03 3khm h LEU 385 Cb 1.07 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 3khm h LEU 385 CO -0.34 0.28 -0.11 0.25 -0.34 0.00 0.00 178.44 178.18 3khm h LEU 386 N -0.07 0.39 -0.44 2.25 5.85 -1.80 -3.25 115.31 118.24 3khm h LEU 386 Ca 0.02 -0.44 0.01 0.00 0.84 0.00 0.00 57.88 58.31 3khm h LEU 386 Cb 0.21 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3khm h LEU 386 CO -0.00 0.75 0.29 0.28 -0.34 0.00 0.00 178.44 179.42 3khm h SER 387 N 0.04 0.50 0.00 1.25 0.02 -0.95 -1.67 113.55 112.73 3khm h SER 387 Ca 0.03 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3khm h SER 387 Cb 0.62 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.03 3khm h SER 387 CO 0.03 0.36 0.00 1.41 -1.14 0.00 0.00 176.83 177.49 3khm n HIS 388 N -4.78 0.00 -0.51 3.45 8.25 -0.01 -1.75 115.22 119.87 3khm n HIS 388 Ca 0.01 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.51 3khm n HIS 388 Cb 0.02 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.18 3khm n HIS 388 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3khm n HIS 389 N -0.91 0.00 -2.18 4.41 -0.00 -0.64 -4.77 115.22 111.13 3khm n HIS 389 Ca 0.08 -0.62 -0.42 0.00 -0.00 0.00 0.00 57.72 56.76 3khm n HIS 389 Cb 0.04 -0.08 -0.03 0.00 -0.00 0.00 0.00 29.99 29.92 3khm n HIS 389 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 3khm s ASP 390 N -1.59 6.79 0.42 0.41 -1.08 -0.72 -4.85 116.67 116.05 3khm s ASP 390 Ca 0.11 2.03 0.13 0.00 -0.52 0.00 0.00 52.55 54.31 3khm s ASP 390 Cb 0.10 -2.54 0.99 0.00 -1.46 0.00 0.00 42.92 40.01 3khm s ASP 390 CO 0.01 -0.84 1.95 -0.08 0.52 0.00 0.00 175.17 176.73 3khm h GLU 391 N 8.86 0.45 -0.18 4.34 4.57 -1.91 0.28 114.58 130.98 3khm h GLU 391 Ca -0.35 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 57.73 3khm h GLU 391 Cb 1.15 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.64 3khm h GLU 391 CO 0.95 0.30 -0.18 1.49 -1.18 0.00 0.00 179.01 180.39 3khm h GLU 392 N 0.46 0.45 0.12 1.92 4.81 -1.98 -2.87 114.58 117.49 3khm h GLU 392 Ca 0.32 -0.24 -0.28 0.00 -0.13 0.00 0.00 59.36 59.04 3khm h GLU 392 Cb 0.62 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 3khm h GLU 392 CO -0.10 0.80 -1.28 0.00 -0.73 0.00 0.00 179.01 177.71 3khm h ALA 393 N 0.63 0.15 -2.30 2.92 0.00 -1.63 -3.42 119.26 115.60 3khm h ALA 393 Ca 0.03 -0.93 -0.59 0.00 0.00 0.00 0.00 54.91 53.42 3khm h ALA 393 Cb 0.72 0.05 -0.38 0.00 0.00 0.00 0.00 17.79 18.18 3khm h ALA 393 CO 0.05 1.02 -1.00 1.19 0.00 0.00 0.00 179.25 180.51 3khm n PHE 394 N -3.50 -0.84 -1.61 0.00 3.01 0.89 -2.56 117.46 112.84 3khm n PHE 394 Ca -0.09 -3.34 -0.46 0.00 1.01 0.00 0.00 57.45 54.56 3khm n PHE 394 Cb 1.02 0.17 -0.03 0.00 -0.01 0.00 0.00 39.48 40.63 3khm n PHE 394 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 3khm n PRO 395 N 2.61 1.52 -3.42 -1.08 -0.02 -1.08 -2.55 135.00 130.98 3khm n PRO 395 Ca 0.29 0.54 -0.18 0.00 -2.02 0.00 0.00 63.50 62.12 3khm n PRO 395 Cb 0.49 -2.05 0.07 0.00 -0.02 0.00 0.00 33.50 31.99 3khm n PRO 395 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3khm n ASN 396 N 1.73 -4.17 0.30 2.55 2.85 -1.26 -4.83 115.26 112.43 3khm n ASN 396 Ca 0.12 -0.73 0.17 0.00 -0.11 0.00 0.00 54.58 54.03 3khm n ASN 396 Cb 0.29 -4.82 0.93 0.00 1.24 0.00 0.00 39.78 37.42 3khm n ASN 396 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3khm h PRO 397 N -1.55 0.00 0.00 1.20 0.13 -1.81 0.52 132.00 130.49 3khm h PRO 397 Ca -0.61 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 3khm h PRO 397 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 3khm h PRO 397 CO 0.48 0.04 0.00 0.54 -0.23 0.00 0.00 178.00 178.83 3khm n ARG 398 N -3.46 0.13 -2.76 0.86 5.12 -1.26 -4.75 116.66 110.54 3khm n ARG 398 Ca -0.02 0.02 -0.41 0.00 -1.93 0.00 0.00 57.85 55.50 3khm n ARG 398 Cb 0.15 -1.50 -0.04 0.00 -1.16 0.00 0.00 32.46 29.92 3khm n ARG 398 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3khm s LEU 399 N -2.86 4.41 -0.57 0.55 2.96 0.17 -5.01 118.68 118.33 3khm s LEU 399 Ca 0.18 1.64 -0.22 0.00 -0.22 0.00 0.00 54.13 55.51 3khm s LEU 399 Cb 0.19 -3.51 0.05 0.00 0.50 0.00 0.00 46.19 43.42 3khm s LEU 399 CO 0.48 -0.18 0.86 0.86 -1.32 0.00 0.00 176.35 177.06 3khm s TRP 400 N 0.65 2.83 -0.30 5.38 -0.00 -1.26 -4.99 118.94 121.26 3khm s TRP 400 Ca 0.49 -0.31 -0.00 0.00 -0.00 0.00 0.00 56.10 56.28 3khm s TRP 400 Cb -0.21 -3.99 0.09 0.00 -0.00 0.00 0.00 33.47 29.36 3khm s TRP 400 CO 0.27 -1.34 0.07 0.34 -0.00 0.00 0.00 176.95 176.29 3khm s ASP 401 N 3.03 4.05 0.08 5.86 2.15 -1.26 -4.98 116.67 125.60 3khm s ASP 401 Ca 0.24 -1.62 0.10 0.00 0.43 0.00 0.00 52.55 51.69 3khm s ASP 401 Cb -0.16 -0.99 0.45 0.00 -0.30 0.00 0.00 42.92 41.92 3khm s ASP 401 CO 0.15 -0.39 1.30 -2.65 -0.17 0.00 0.00 175.17 173.41 3khm n PRO 402 N 4.75 0.04 -0.12 4.34 -0.02 -1.26 -1.86 135.00 140.87 3khm n PRO 402 Ca -0.02 0.45 0.08 0.00 -2.02 0.00 0.00 63.50 61.98 3khm n PRO 402 Cb 0.43 -1.61 0.14 0.00 -0.02 0.00 0.00 33.50 32.43 3khm n PRO 402 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3khm n GLU 403 N -1.70 2.00 -2.09 -0.52 1.02 -1.26 -4.64 120.64 113.45 3khm n GLU 403 Ca 0.01 -1.85 -0.33 0.00 -0.02 0.00 0.00 57.16 54.97 3khm n GLU 403 Cb 0.07 -1.34 0.01 0.00 -0.02 0.00 0.00 31.44 30.16 3khm n GLU 403 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3khm s ARG 404 N -1.14 3.39 0.06 3.49 1.70 -0.78 -5.08 118.95 120.59 3khm s ARG 404 Ca 0.25 1.19 0.05 0.00 -0.47 0.00 0.00 55.73 56.75 3khm s ARG 404 Cb 0.15 -2.04 -0.03 0.00 -0.57 0.00 0.00 34.95 32.46 3khm s ARG 404 CO 0.21 -0.75 -0.14 -0.51 -1.08 0.00 0.00 175.30 173.03 3khm s ASP 405 N -2.78 1.60 -0.43 -2.89 -0.00 -1.26 -5.07 116.67 105.84 3khm s ASP 405 Ca 0.63 -0.54 -0.43 0.00 -0.00 0.00 0.00 52.55 52.21 3khm s ASP 405 Cb -0.16 -0.07 -0.17 0.00 -0.00 0.00 0.00 42.92 42.52 3khm s ASP 405 CO 0.36 -0.04 1.87 -0.62 -0.00 0.00 0.00 175.17 176.74 3khm n GLU 406 N 1.56 0.43 0.00 8.23 1.02 -1.26 -4.78 120.64 125.84 3khm n GLU 406 Ca -0.20 0.14 0.12 0.00 -0.02 0.00 0.00 57.16 57.21 3khm n GLU 406 Cb 0.54 -1.78 0.30 0.00 -0.02 0.00 0.00 31.44 30.49 3khm n GLU 406 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3khm n LYS 407 N 5.93 0.58 -3.99 3.49 5.02 -1.06 -4.60 118.16 123.53 3khm n LYS 407 Ca 0.38 -0.36 -0.30 0.00 -2.02 0.00 0.00 58.31 56.02 3khm n LYS 407 Cb 0.03 -1.49 -0.16 0.00 -0.02 0.00 0.00 35.03 33.38 3khm n LYS 407 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3khm s VAL 408 N -2.67 1.50 0.06 -0.18 1.01 -1.26 -4.86 120.40 114.01 3khm s VAL 408 Ca 0.19 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 3khm s VAL 408 Cb 0.19 -1.50 -0.09 0.00 0.00 0.00 0.00 36.38 34.98 3khm s VAL 408 CO 0.59 0.33 1.85 -1.81 0.00 0.00 0.00 175.10 176.06 3khm s ASP 409 N 1.49 6.48 0.00 3.32 1.11 -1.26 -1.45 116.67 126.36 3khm s ASP 409 Ca 0.03 2.65 0.00 0.00 0.18 0.00 0.00 52.55 55.40 3khm s ASP 409 Cb -0.14 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.30 3khm s ASP 409 CO -0.09 -1.01 0.00 0.61 1.18 0.00 0.00 175.17 175.86 3khm n GLY 410 N 4.33 0.37 0.26 0.21 0.00 -1.26 -4.93 105.19 104.17 3khm n GLY 410 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.20 3khm n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khm h ALA 411 N 0.00 0.93 -2.21 4.61 0.00 -1.50 -3.39 119.26 117.69 3khm h ALA 411 Ca 0.00 0.03 -0.55 0.00 0.00 0.00 0.00 54.91 54.38 3khm h ALA 411 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3khm h ALA 411 CO 0.00 0.03 1.05 0.12 0.00 0.00 0.00 179.25 180.45 3khm s PHE 412 N -6.08 2.19 -0.12 0.00 5.36 -1.26 -4.67 117.98 113.39 3khm s PHE 412 Ca -0.13 0.42 0.15 0.00 -0.96 0.00 0.00 56.93 56.42 3khm s PHE 412 Cb 0.17 -3.83 0.35 0.00 -0.34 0.00 0.00 43.02 39.37 3khm s PHE 412 CO 0.76 -3.24 1.17 0.44 -1.46 0.00 0.00 175.22 172.89 3khm n ILE 413 N 5.57 1.40 -0.32 3.12 -5.35 -1.26 -4.86 119.36 117.65 3khm n ILE 413 Ca 0.17 -2.18 0.16 0.00 -0.27 0.00 0.00 62.75 60.62 3khm n ILE 413 Cb 0.44 0.13 0.35 0.00 -1.74 0.00 0.00 39.64 38.81 3khm n ILE 413 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3khm h GLY 414 N 0.69 1.70 -2.98 3.28 0.00 -1.90 0.36 103.07 104.22 3khm h GLY 414 Ca -0.05 -0.21 -0.28 0.00 0.00 0.00 0.00 47.33 46.79 3khm h GLY 414 CO 0.02 -0.30 0.24 0.69 0.00 0.00 0.00 176.54 177.20 3khm n PHE 415 N -5.01 2.01 -4.60 5.60 3.01 -1.26 -4.91 117.46 112.29 3khm n PHE 415 Ca 0.25 -1.51 0.00 0.00 1.01 0.00 0.00 57.45 57.20 3khm n PHE 415 Cb 0.73 -0.66 0.00 0.00 -0.01 0.00 0.00 39.48 39.53 3khm n PHE 415 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3khm n GLY 416 N -0.84 -0.22 3.83 1.37 0.00 0.13 -0.81 105.19 108.64 3khm n GLY 416 Ca 0.42 -1.04 -0.03 0.00 0.00 0.00 0.00 46.02 45.37 3khm n GLY 416 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khm s ALA 417 N -1.60 -1.64 0.00 4.61 0.00 -1.26 -4.72 121.76 117.14 3khm s ALA 417 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.83 3khm s ALA 417 Cb 0.00 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.82 3khm s ALA 417 CO 0.00 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.11 3khm n GLY 418 N -0.61 3.27 0.26 0.00 0.00 -1.26 -1.52 105.19 105.33 3khm n GLY 418 Ca -0.04 -0.15 0.13 0.00 0.00 0.00 0.00 46.02 45.96 3khm n GLY 418 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3khm h VAL 419 N 0.00 0.55 -0.60 1.61 2.07 -1.51 -3.21 116.25 115.17 3khm h VAL 419 Ca 0.00 -0.53 -0.41 0.00 0.82 0.00 0.00 66.70 66.58 3khm h VAL 419 Cb 0.00 1.34 -0.28 0.00 -1.52 0.00 0.00 31.29 30.83 3khm h VAL 419 CO 0.00 0.11 -0.36 1.41 0.02 0.00 0.00 177.57 178.75 3khm n HIS 420 N -3.63 2.09 -1.77 1.57 -0.00 -0.58 -5.03 115.22 107.87 3khm n HIS 420 Ca -0.02 -2.11 -0.41 0.00 -0.00 0.00 0.00 57.72 55.18 3khm n HIS 420 Cb 0.24 -0.53 0.00 0.00 -0.00 0.00 0.00 29.99 29.70 3khm n HIS 420 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3khm n LYS 421 N -0.89 2.65 -1.69 -0.41 5.02 -1.09 -4.10 118.16 117.64 3khm n LYS 421 Ca 0.41 0.93 -0.43 0.00 -2.02 0.00 0.00 58.31 57.20 3khm n LYS 421 Cb 0.91 -2.66 -0.02 0.00 -0.02 0.00 0.00 35.03 33.24 3khm n LYS 421 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3khm n ILE 423 N 1.26 0.00 0.68 0.00 -5.35 -1.26 -4.16 119.36 110.53 3khm n ILE 423 Ca 0.08 -0.05 0.12 0.00 -0.27 0.00 0.00 62.75 62.63 3khm n ILE 423 Cb 0.34 0.93 0.17 0.00 -1.74 0.00 0.00 39.64 39.34 3khm n ILE 423 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3khm n GLY 424 N 1.47 1.33 0.42 3.28 0.00 -1.26 -4.65 105.19 105.78 3khm n GLY 424 Ca 0.03 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 3khm n GLY 424 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3khm h GLN 425 N 4.54 -0.52 -0.87 1.61 4.15 -1.96 0.27 115.11 122.34 3khm h GLN 425 Ca 0.00 0.04 0.06 0.00 0.77 0.00 0.00 58.65 59.52 3khm h GLN 425 Cb 0.98 0.12 -0.06 0.00 0.21 0.00 0.00 27.48 28.73 3khm h GLN 425 CO 0.00 -0.35 0.54 0.87 -1.93 0.00 0.00 178.83 177.97 3khm h LYS 426 N -0.54 0.96 -0.02 1.69 1.79 -1.89 -1.27 116.57 117.29 3khm h LYS 426 Ca 0.06 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 3khm h LYS 426 Cb 0.65 -0.22 -0.00 0.00 -1.58 0.00 0.00 32.23 31.08 3khm h LYS 426 CO -0.38 0.64 -0.01 0.35 -1.08 0.00 0.00 179.45 178.96 3khm h PHE 427 N 0.99 0.06 -0.81 -1.35 3.57 -1.65 -1.98 116.94 115.78 3khm h PHE 427 Ca 0.38 -0.02 0.19 0.00 3.53 0.00 0.00 57.97 62.05 3khm h PHE 427 Cb 0.17 -0.01 -0.12 0.00 2.79 0.00 0.00 35.95 38.78 3khm h PHE 427 CO -0.03 0.47 0.23 0.00 -2.23 0.00 0.00 178.31 176.75 3khm h ALA 428 N 0.58 1.12 0.15 2.41 0.00 -0.04 0.29 119.26 123.78 3khm h ALA 428 Ca 0.01 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3khm h ALA 428 Cb 0.46 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3khm h ALA 428 CO 0.00 -0.36 -0.07 -0.07 0.00 0.00 0.00 179.25 178.75 3khm h LEU 429 N 0.28 -0.17 -0.80 0.00 3.38 -1.18 0.13 115.31 116.95 3khm h LEU 429 Ca 0.48 -0.33 0.18 0.00 0.09 0.00 0.00 57.88 58.29 3khm h LEU 429 Cb 0.87 0.04 -0.12 0.00 0.09 0.00 0.00 40.66 41.55 3khm h LEU 429 CO -0.55 0.28 0.25 0.25 0.09 0.00 0.00 178.44 178.76 3khm h LEU 430 N -0.67 0.12 -0.07 1.67 5.85 -0.86 0.28 115.31 121.63 3khm h LEU 430 Ca -0.02 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3khm h LEU 430 Cb 0.49 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 3khm h LEU 430 CO 0.03 -0.02 0.00 -0.61 -0.34 0.00 0.00 178.44 177.50 3khm h GLN 431 N 0.32 0.13 -0.17 1.25 4.15 -0.24 -2.29 115.11 118.25 3khm h GLN 431 Ca 0.47 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.79 3khm h GLN 431 Cb 0.83 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.51 3khm h GLN 431 CO -0.52 0.39 -0.12 0.28 -1.93 0.00 0.00 178.83 176.93 3khm h VAL 432 N -0.16 1.32 -0.86 2.39 2.07 0.06 -2.42 116.25 118.66 3khm h VAL 432 Ca 0.02 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.33 3khm h VAL 432 Cb 0.34 1.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 3khm h VAL 432 CO 0.00 0.36 0.55 0.11 0.02 0.00 0.00 177.57 178.61 3khm h LYS 433 N 0.05 1.15 -0.67 1.57 1.57 -0.54 -0.95 116.57 118.75 3khm h LYS 433 Ca 0.03 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 3khm h LYS 433 Cb 0.62 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 3khm h LYS 433 CO 0.03 0.79 0.22 1.15 -0.57 0.00 0.00 179.45 181.07 3khm h THR 434 N 1.18 1.24 -0.39 -0.16 2.02 -1.35 -1.94 112.91 113.52 3khm h THR 434 Ca 0.31 -0.82 -0.09 0.00 0.77 0.00 0.00 66.41 66.58 3khm h THR 434 Cb -0.09 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 3khm h THR 434 CO -0.06 0.32 -0.11 0.40 0.37 0.00 0.00 175.52 176.43 3khm h ILE 435 N 0.98 1.28 -0.66 3.11 2.04 -0.90 -2.57 117.51 120.80 3khm h ILE 435 Ca 0.22 -1.21 0.04 0.00 1.00 0.00 0.00 64.86 64.91 3khm h ILE 435 Cb 0.26 1.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.55 3khm h ILE 435 CO -0.01 0.40 0.39 -0.07 0.00 0.00 0.00 178.15 178.86 3khm h LEU 436 N 0.56 0.61 0.08 1.44 3.38 -0.93 -1.37 115.31 119.09 3khm h LEU 436 Ca 0.09 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3khm h LEU 436 Cb 0.64 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3khm h LEU 436 CO 0.04 0.42 -0.04 0.00 0.09 0.00 0.00 178.44 178.94 3khm h ALA 437 N 1.31 -0.98 -1.07 1.53 0.00 -1.23 -0.86 119.26 117.95 3khm h ALA 437 Ca 0.28 -0.02 0.28 0.00 0.00 0.00 0.00 54.91 55.45 3khm h ALA 437 Cb 0.09 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.89 3khm h ALA 437 CO -0.14 -0.98 0.70 1.15 0.00 0.00 0.00 179.25 179.99 3khm h THR 438 N -0.12 0.49 -0.18 0.00 2.02 -1.47 0.61 112.91 114.26 3khm h THR 438 Ca -0.01 -0.11 -0.16 0.00 0.77 0.00 0.00 66.41 66.90 3khm h THR 438 Cb 0.09 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 3khm h THR 438 CO 0.02 0.06 -0.50 0.00 0.37 0.00 0.00 175.52 175.47 3khm h ALA 439 N 1.60 0.30 -0.01 6.16 0.00 -1.11 -3.20 119.26 123.00 3khm h ALA 439 Ca 0.60 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3khm h ALA 439 Cb 1.66 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.41 3khm h ALA 439 CO -0.27 0.47 -0.37 1.19 0.00 0.00 0.00 179.25 180.28 3khm n PHE 440 N -4.17 0.00 -0.01 0.00 3.01 -0.34 -2.56 117.46 113.39 3khm n PHE 440 Ca -0.06 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.30 3khm n PHE 440 Cb 0.59 -0.09 0.05 0.00 -0.01 0.00 0.00 39.48 40.02 3khm n PHE 440 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3khm h ARG 441 N 1.47 0.62 0.00 -1.08 2.47 0.17 -3.37 114.38 114.65 3khm h ARG 441 Ca 0.00 -0.37 -0.09 0.00 -1.26 0.00 0.00 59.98 58.26 3khm h ARG 441 Cb 0.58 0.04 -0.19 0.00 -1.65 0.00 0.00 29.97 28.75 3khm h ARG 441 CO 0.00 0.99 -0.74 -0.85 0.56 0.00 0.00 179.97 179.92 3khm n GLU 442 N -3.98 0.16 -3.74 0.04 0.28 -1.24 -5.02 120.64 107.13 3khm n GLU 442 Ca -0.03 -1.71 -0.13 0.00 -0.16 0.00 0.00 57.16 55.13 3khm n GLU 442 Cb 0.59 -0.37 -0.09 0.00 1.43 0.00 0.00 31.44 33.00 3khm n GLU 442 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 3khm s TYR 443 N -0.33 -0.32 -0.05 -1.84 1.51 -1.06 -3.59 117.35 111.67 3khm s TYR 443 Ca 0.21 0.69 0.05 0.00 -1.01 0.00 0.00 57.07 57.01 3khm s TYR 443 Cb 0.23 0.13 -0.02 0.00 -0.11 0.00 0.00 41.96 42.19 3khm s TYR 443 CO -0.09 -0.29 -0.20 -0.51 -1.11 0.00 0.00 175.55 173.34 3khm s ASP 444 N -0.51 3.49 0.10 2.29 1.01 -0.59 -4.38 116.67 118.08 3khm s ASP 444 Ca -0.06 -0.37 0.10 0.00 0.71 0.00 0.00 52.55 52.92 3khm s ASP 444 Cb -0.04 -0.75 -0.04 0.00 1.01 0.00 0.00 42.92 43.10 3khm s ASP 444 CO 0.02 0.30 -0.24 -0.36 0.21 0.00 0.00 175.17 175.11 3khm s PHE 445 N -0.46 2.40 -0.02 4.23 0.40 -1.26 -0.46 117.98 122.80 3khm s PHE 445 Ca 0.05 -0.34 0.00 0.00 -0.60 0.00 0.00 56.93 56.04 3khm s PHE 445 Cb -0.12 -1.33 0.03 0.00 0.51 0.00 0.00 43.02 42.11 3khm s PHE 445 CO 0.01 0.29 0.03 -0.65 0.70 0.00 0.00 175.22 175.60 3khm s GLN 446 N -1.81 -0.02 0.43 0.44 1.11 0.01 -4.89 119.66 114.92 3khm s GLN 446 Ca 0.14 0.18 -0.25 0.00 0.01 0.00 0.00 55.36 55.45 3khm s GLN 446 Cb -0.10 -0.25 -0.08 0.00 -1.01 0.00 0.00 33.01 31.57 3khm s GLN 446 CO 0.06 -0.16 1.23 -0.51 0.01 0.00 0.00 175.29 175.91 3khm s LEU 447 N 1.04 4.13 0.18 2.90 1.43 -1.26 -0.80 118.68 126.29 3khm s LEU 447 Ca -0.09 2.47 0.23 0.00 -1.03 0.00 0.00 54.13 55.71 3khm s LEU 447 Cb -0.13 -4.06 0.11 0.00 0.03 0.00 0.00 46.19 42.15 3khm s LEU 447 CO -0.03 -0.87 1.14 -0.07 0.23 0.00 0.00 176.35 176.76 3khm h LEU 448 N 2.41 0.00-10.59 1.79 3.38 -1.91 -3.46 115.31 106.94 3khm h LEU 448 Ca -0.49 -0.09 -0.45 0.00 0.09 0.00 0.00 57.88 56.94 3khm h LEU 448 Cb 1.25 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.06 3khm h LEU 448 CO 0.61 0.04 0.06 -0.60 0.09 0.00 0.00 178.44 178.65 3khm s ARG 449 N -3.29 2.16 -0.14 1.13 3.52 -1.26 -5.05 118.95 116.03 3khm s ARG 449 Ca 0.02 -0.80 -0.26 0.00 -0.13 0.00 0.00 55.73 54.56 3khm s ARG 449 Cb 0.11 -2.37 -0.23 0.00 -1.56 0.00 0.00 34.95 30.89 3khm s ARG 449 CO 0.77 -1.08 0.70 -0.44 -0.81 0.00 0.00 175.30 174.44 3khm h ASP 450 N -0.27 -0.00 -3.54 -2.12 5.19 -1.99 -3.48 116.42 110.21 3khm h ASP 450 Ca -0.41 -0.90 -0.42 0.00 -0.62 0.00 0.00 57.03 54.69 3khm h ASP 450 Cb 1.29 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 40.65 3khm h ASP 450 CO 0.49 0.95 -0.74 -1.61 -3.12 0.00 0.00 179.24 175.21 3khm s GLU 451 N -2.17 1.21 0.54 3.56 2.02 -1.26 -5.04 118.70 117.57 3khm s GLU 451 Ca -0.17 -1.49 -0.20 0.00 0.02 0.00 0.00 54.97 53.13 3khm s GLU 451 Cb -0.03 -0.98 -0.08 0.00 0.10 0.00 0.00 34.13 33.15 3khm s GLU 451 CO 0.62 0.16 0.80 0.28 0.02 0.00 0.00 175.26 177.14 3khm n VAL 452 N -0.16 2.83 -1.24 2.63 0.31 -1.26 -4.85 118.33 116.58 3khm n VAL 452 Ca -0.10 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.38 3khm n VAL 452 Cb 0.60 -0.95 0.10 0.00 -0.91 0.00 0.00 33.84 32.67 3khm n VAL 452 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3khm n PRO 453 N -0.34 0.35 -2.93 5.55 -0.02 -1.26 -4.97 135.00 131.37 3khm n PRO 453 Ca 0.12 0.18 -0.39 0.00 -2.02 0.00 0.00 63.50 61.38 3khm n PRO 453 Cb 0.45 -2.23 -0.06 0.00 -0.02 0.00 0.00 33.50 31.64 3khm n PRO 453 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3khm s ASP 454 N -1.78 7.44 -0.04 2.55 1.01 -1.26 -4.84 116.67 119.75 3khm s ASP 454 Ca 0.72 1.71 -0.33 0.00 0.71 0.00 0.00 52.55 55.35 3khm s ASP 454 Cb -0.32 -2.52 -0.11 0.00 1.01 0.00 0.00 42.92 40.97 3khm s ASP 454 CO 0.52 0.19 1.89 -2.65 0.21 0.00 0.00 175.17 175.33 3khm n PRO 455 N 1.54 2.37 -3.08 8.23 -0.02 -1.26 -1.64 135.00 141.14 3khm n PRO 455 Ca -0.05 0.87 -0.45 0.00 -2.02 0.00 0.00 63.50 61.85 3khm n PRO 455 Cb 0.48 -2.74 -0.03 0.00 -0.02 0.00 0.00 33.50 31.20 3khm n PRO 455 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3khm s ASP 456 N 3.94 6.60 -0.31 2.55 -1.08 -0.76 -4.85 116.67 122.76 3khm s ASP 456 Ca 0.91 -2.14 -0.28 0.00 -0.52 0.00 0.00 52.55 50.52 3khm s ASP 456 Cb -0.62 -2.33 0.01 0.00 -1.46 0.00 0.00 42.92 38.52 3khm s ASP 456 CO 0.48 -0.93 1.00 -0.31 0.52 0.00 0.00 175.17 175.93 3khm s TYR 457 N 1.93 3.19 0.30 -5.34 1.51 -1.26 -4.41 117.35 113.27 3khm s TYR 457 Ca 0.25 1.13 0.00 0.00 -1.01 0.00 0.00 57.07 57.44 3khm s TYR 457 Cb -0.09 -3.52 0.00 0.00 -0.11 0.00 0.00 41.96 38.23 3khm s TYR 457 CO -0.07 -0.68 0.00 -2.39 -1.11 0.00 0.00 175.55 171.30 3khm n HIS 458 N 6.64 -2.77 -2.58 2.71 1.44 -1.26 -4.77 115.22 114.63 3khm n HIS 458 Ca 0.10 0.60 -0.23 0.00 -2.01 0.00 0.00 57.72 56.18 3khm n HIS 458 Cb 0.47 1.08 0.09 0.00 0.12 0.00 0.00 29.99 31.76 3khm n HIS 458 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 3khm s THR 459 N -1.92 2.23 0.52 0.61 2.01 -1.26 -4.97 115.64 112.85 3khm s THR 459 Ca 0.00 -0.59 0.19 0.00 0.31 0.00 0.00 61.69 61.60 3khm s THR 459 Cb 0.00 -2.64 0.27 0.00 0.01 0.00 0.00 72.50 70.14 3khm s THR 459 CO 0.00 0.00 2.14 0.24 -0.69 0.00 0.00 174.62 176.31 3khm h MET 460 N -0.43 0.00 -5.53 4.92 0.00 -1.95 -3.39 114.93 108.54 3khm h MET 460 Ca -0.38 0.00 -0.60 0.00 0.00 0.00 0.00 59.70 58.73 3khm h MET 460 Cb 1.27 0.00 -0.10 0.00 0.00 0.00 0.00 31.60 32.77 3khm h MET 460 CO 0.43 0.04 -0.06 0.08 0.00 0.00 0.00 176.91 177.40 3khm s VAL 461 N -4.84 5.12 -0.15 -2.22 1.01 -1.26 -0.23 120.40 117.84 3khm s VAL 461 Ca -0.05 0.93 0.01 0.00 0.00 0.00 0.00 61.98 62.87 3khm s VAL 461 Cb 0.16 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.73 3khm s VAL 461 CO 0.64 0.19 -0.15 -0.69 0.00 0.00 0.00 175.10 175.10 3khm s VAL 462 N 1.55 1.62 0.23 2.92 1.01 0.21 -4.74 120.40 123.20 3khm s VAL 462 Ca 0.24 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.55 3khm s VAL 462 Cb -0.15 -1.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.72 3khm s VAL 462 CO 0.09 0.47 0.04 0.61 0.00 0.00 0.00 175.10 176.31 3khm n GLY 463 N 4.66 3.78 3.73 4.51 0.00 -1.26 -4.05 105.19 116.57 3khm n GLY 463 Ca -0.18 -2.16 -0.35 0.00 0.00 0.00 0.00 46.02 43.33 3khm n GLY 463 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3khm s PRO 464 N -2.85 2.46 -0.04 1.61 0.04 -1.26 -1.83 135.00 133.13 3khm s PRO 464 Ca 0.05 1.87 -0.30 0.00 0.04 0.00 0.00 61.00 62.67 3khm s PRO 464 Cb 0.00 -1.86 -0.07 0.00 0.04 0.00 0.00 34.50 32.61 3khm s PRO 464 CO 0.04 -1.61 1.93 0.99 0.04 0.00 0.00 177.00 178.38 3khm s THR 465 N -1.70 3.17 0.12 1.26 2.01 -0.65 -4.64 115.64 115.21 3khm s THR 465 Ca 0.78 0.20 -0.32 0.00 0.31 0.00 0.00 61.69 62.65 3khm s THR 465 Cb -0.32 -3.15 -0.12 0.00 0.01 0.00 0.00 72.50 68.93 3khm s THR 465 CO 0.41 -0.04 1.53 0.25 -0.69 0.00 0.00 174.62 176.08 3khm h LEU 466 N 11.33 -1.74 -0.71 4.42 6.46 -1.91 -0.46 115.31 132.71 3khm h LEU 466 Ca -0.45 0.22 0.00 0.00 -0.12 0.00 0.00 57.88 57.53 3khm h LEU 466 Cb 1.22 0.70 0.00 0.00 -0.73 0.00 0.00 40.66 41.85 3khm h LEU 466 CO 0.95 -0.43 0.00 -0.46 -0.62 0.00 0.00 178.44 177.88 3khm n ASN 467 N -5.30 0.35 0.00 1.25 6.94 -1.26 -0.82 115.26 116.42 3khm n ASN 467 Ca -0.05 -0.99 0.00 0.00 -0.02 0.00 0.00 54.58 53.52 3khm n ASN 467 Cb 0.35 -0.18 0.00 0.00 -2.36 0.00 0.00 39.78 37.59 3khm n ASN 467 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3khm n GLN 468 N 0.03 1.67 -0.57 -3.83 6.02 -0.19 -4.75 117.38 115.77 3khm n GLN 468 Ca 0.00 -0.25 -0.01 0.00 -0.01 0.00 0.00 57.00 56.73 3khm n GLN 468 Cb 0.09 -0.71 0.20 0.00 1.02 0.00 0.00 30.24 30.83 3khm n GLN 468 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3khm s LEU 470 N -1.66 4.38 -0.02 0.00 1.43 -1.26 -0.35 118.68 121.20 3khm s LEU 470 Ca 0.31 1.87 -0.02 0.00 -1.03 0.00 0.00 54.13 55.27 3khm s LEU 470 Cb 0.25 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.90 3khm s LEU 470 CO 0.08 -0.37 0.06 -0.69 0.23 0.00 0.00 176.35 175.66 3khm s VAL 471 N 0.98 -0.01 -0.22 -1.59 1.01 0.64 -3.25 120.40 117.96 3khm s VAL 471 Ca 0.56 0.02 -0.13 0.00 0.00 0.00 0.00 61.98 62.43 3khm s VAL 471 Cb -0.26 -0.09 -0.05 0.00 0.00 0.00 0.00 36.38 35.98 3khm s VAL 471 CO 0.29 0.01 0.27 -0.75 0.00 0.00 0.00 175.10 174.91 3khm s LYS 472 N 0.15 4.12 -0.09 2.72 2.20 0.02 -0.81 119.74 128.04 3khm s LYS 472 Ca -0.01 -0.06 -0.04 0.00 -0.36 0.00 0.00 55.97 55.50 3khm s LYS 472 Cb -0.02 -3.54 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 3khm s LYS 472 CO -0.00 0.02 0.08 1.52 -0.36 0.00 0.00 175.35 176.60 3khm s TYR 473 N 1.17 3.40 -0.11 4.03 -0.85 0.85 -0.81 117.35 125.03 3khm s TYR 473 Ca 0.13 0.36 0.01 0.00 -0.52 0.00 0.00 57.07 57.05 3khm s TYR 473 Cb -0.14 -1.86 0.02 0.00 0.38 0.00 0.00 41.96 40.36 3khm s TYR 473 CO 0.06 0.61 -0.14 -0.08 -1.52 0.00 0.00 175.55 174.48 3khm s THR 474 N -1.00 1.42 0.20 -3.49 -1.32 0.39 -1.87 115.64 109.97 3khm s THR 474 Ca 0.15 -0.59 -0.30 0.00 -1.21 0.00 0.00 61.69 59.75 3khm s THR 474 Cb -0.12 -1.31 -0.09 0.00 -1.51 0.00 0.00 72.50 69.47 3khm s THR 474 CO 0.05 0.43 1.35 -0.60 -2.21 0.00 0.00 174.62 173.63 3khm s ARG 475 N 1.08 4.35 0.59 7.08 3.52 0.90 -1.54 118.95 134.94 3khm s ARG 475 Ca -0.05 2.12 -0.19 0.00 -0.13 0.00 0.00 55.73 57.48 3khm s ARG 475 Cb -0.15 -3.18 -0.04 0.00 -1.56 0.00 0.00 34.95 30.03 3khm s ARG 475 CO -0.03 -0.32 1.20 0.15 -0.81 0.00 0.00 175.30 175.50 3khm s LYS 476 N -0.02 3.00 0.19 5.12 1.02 -1.24 -4.89 119.74 122.94 3khm s LYS 476 Ca 0.58 1.82 -0.30 0.00 0.02 0.00 0.00 55.97 58.09 3khm s LYS 476 Cb -0.38 -1.94 -0.08 0.00 -0.52 0.00 0.00 37.83 34.91 3khm s LYS 476 CO 0.38 -1.18 1.25 0.21 -0.92 0.00 0.00 175.35 175.09 3khm s LYS 477 N -3.32 4.44 0.07 1.68 2.20 -1.26 -4.99 119.74 118.56 3khm s LYS 477 Ca 0.77 1.96 0.01 0.00 -0.36 0.00 0.00 55.97 58.36 3khm s LYS 477 Cb -0.30 -3.22 -0.04 0.00 -1.51 0.00 0.00 37.83 32.77 3khm s LYS 477 CO 0.33 -0.17 -0.06 0.15 -0.36 0.00 0.00 175.35 175.24 3khm s LYS 478 N -0.20 0.70 0.00 4.03 1.02 -1.26 -5.19 119.74 118.84 3khm s LYS 478 Ca 0.55 -1.16 0.00 0.00 0.02 0.00 0.00 55.97 55.37 3khm s LYS 478 Cb -0.34 -0.13 0.00 0.00 -0.52 0.00 0.00 37.83 36.84 3khm s LYS 478 CO 0.38 -0.02 0.00 -0.11 -0.92 0.00 0.00 175.35 174.67