#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uf4 n ARG 2 N 0.00 0.05 -4.37 -2.82 5.12 -1.26 -4.98 116.66 108.41 1uf4 n ARG 2 Ca 0.00 -0.06 -0.33 0.00 -1.93 0.00 0.00 57.85 55.54 1uf4 n ARG 2 Cb 0.00 -0.48 -0.10 0.00 -1.16 0.00 0.00 32.46 30.72 1uf4 n ARG 2 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1uf4 s GLN 3 N -0.02 2.73 0.15 5.56 -1.52 -1.26 0.03 119.66 125.32 1uf4 s GLN 3 Ca 0.00 -0.62 -0.25 0.00 -1.95 0.00 0.00 55.36 52.54 1uf4 s GLN 3 Cb 0.00 -2.62 0.06 0.00 -0.22 0.00 0.00 33.01 30.23 1uf4 s GLN 3 CO 0.00 0.63 0.95 0.00 -0.25 0.00 0.00 175.29 176.62 1uf4 s MET 4 N -1.41 1.19 -0.21 2.91 0.23 -0.53 -5.00 119.30 116.49 1uf4 s MET 4 Ca 0.18 -0.65 0.01 0.00 -1.03 0.00 0.00 55.69 54.20 1uf4 s MET 4 Cb -0.11 0.41 0.04 0.00 -1.53 0.00 0.00 34.83 33.64 1uf4 s MET 4 CO 0.08 -0.55 -0.12 0.42 -2.03 0.00 0.00 175.02 172.82 1uf4 s ILE 5 N -3.29 1.83 0.12 3.16 1.01 -1.26 -0.08 121.20 122.69 1uf4 s ILE 5 Ca 0.12 -1.15 -0.12 0.00 0.00 0.00 0.00 60.65 59.51 1uf4 s ILE 5 Cb -0.01 -1.87 -0.06 0.00 0.01 0.00 0.00 42.46 40.52 1uf4 s ILE 5 CO 0.02 0.18 0.47 -0.22 0.00 0.00 0.00 174.94 175.39 1uf4 s LEU 6 N 1.31 4.33 0.08 2.97 2.96 -0.62 -1.05 118.68 128.66 1uf4 s LEU 6 Ca -0.02 0.92 0.02 0.00 -0.22 0.00 0.00 54.13 54.83 1uf4 s LEU 6 Cb -0.17 -3.14 -0.03 0.00 0.50 0.00 0.00 46.19 43.35 1uf4 s LEU 6 CO -0.08 0.13 -0.08 0.00 -1.32 0.00 0.00 176.35 175.00 1uf4 s ALA 7 N -1.45 0.89 -0.07 5.97 0.00 0.63 -1.42 121.76 126.31 1uf4 s ALA 7 Ca 0.36 -1.11 0.03 0.00 0.00 0.00 0.00 51.96 51.24 1uf4 s ALA 7 Cb -0.14 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.07 1uf4 s ALA 7 CO 0.19 -0.10 -0.17 0.08 0.00 0.00 0.00 175.76 175.75 1uf4 s VAL 8 N -2.55 1.47 -0.55 0.00 1.01 -0.45 -0.45 120.40 118.88 1uf4 s VAL 8 Ca 0.03 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.25 1uf4 s VAL 8 Cb -0.02 -1.30 0.14 0.00 0.00 0.00 0.00 36.38 35.20 1uf4 s VAL 8 CO -0.02 0.43 0.40 -0.83 0.00 0.00 0.00 175.10 175.08 1uf4 s GLY 9 N 0.42 2.25 0.28 4.51 0.00 0.82 -2.07 107.32 113.53 1uf4 s GLY 9 Ca -0.13 -2.85 -0.29 0.00 0.00 0.00 0.00 44.72 41.45 1uf4 s GLY 9 CO 0.05 1.11 1.05 1.62 0.00 0.00 0.00 173.10 176.93 1uf4 s GLN 10 N 0.76 4.64 0.01 2.90 0.74 0.11 -4.24 119.66 124.58 1uf4 s GLN 10 Ca 0.11 1.68 0.01 0.00 0.05 0.00 0.00 55.36 57.21 1uf4 s GLN 10 Cb -0.22 -3.13 -0.04 0.00 1.10 0.00 0.00 33.01 30.72 1uf4 s GLN 10 CO -0.03 0.26 0.07 -0.65 -0.55 0.00 0.00 175.29 174.38 1uf4 s GLN 11 N -1.51 2.98 0.00 1.67 -0.21 -0.72 -0.17 119.66 121.70 1uf4 s GLN 11 Ca 0.45 -0.55 0.00 0.00 0.02 0.00 0.00 55.36 55.28 1uf4 s GLN 11 Cb -0.29 -2.80 0.00 0.00 1.00 0.00 0.00 33.01 30.92 1uf4 s GLN 11 CO 0.37 0.63 0.00 0.41 -2.12 0.00 0.00 175.29 174.58 1uf4 n GLY 12 N 1.08 -0.47 3.74 3.09 0.00 -1.25 -0.42 105.19 110.96 1uf4 n GLY 12 Ca -0.12 -1.76 -0.34 0.00 0.00 0.00 0.00 46.02 43.79 1uf4 n GLY 12 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1uf4 s PRO 13 N -2.57 2.40 -0.21 1.61 0.02 -0.75 -4.37 135.00 131.13 1uf4 s PRO 13 Ca 0.00 1.68 0.01 0.00 0.02 0.00 0.00 61.00 62.71 1uf4 s PRO 13 Cb 0.00 -1.87 0.04 0.00 0.02 0.00 0.00 34.50 32.69 1uf4 s PRO 13 CO 0.00 -1.62 -0.14 0.42 -0.33 0.00 0.00 177.00 175.34 1uf4 s ILE 14 N -2.02 1.90 0.60 2.83 1.01 -1.26 -5.07 121.20 119.19 1uf4 s ILE 14 Ca 0.73 -1.13 -0.17 0.00 0.00 0.00 0.00 60.65 60.08 1uf4 s ILE 14 Cb -0.27 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 1uf4 s ILE 14 CO 0.43 0.24 1.10 0.00 0.00 0.00 0.00 174.94 176.71 1uf4 s ALA 15 N 1.29 2.60 0.33 9.38 0.00 -1.26 -4.07 121.76 130.03 1uf4 s ALA 15 Ca -0.01 0.61 0.04 0.00 0.00 0.00 0.00 51.96 52.60 1uf4 s ALA 15 Cb -0.16 -3.31 0.67 0.00 0.00 0.00 0.00 23.12 20.31 1uf4 s ALA 15 CO -0.09 -0.99 1.90 -0.09 0.00 0.00 0.00 175.76 176.49 1uf4 h ARG 16 N 0.54 0.84 0.00 0.00 2.43 -1.98 -1.38 114.38 114.82 1uf4 h ARG 16 Ca -0.48 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 1uf4 h ARG 16 Cb 1.25 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1uf4 h ARG 16 CO 0.56 0.55 -0.31 0.00 -1.51 0.00 0.00 179.97 179.27 1uf4 n ALA 17 N -2.41 2.61 -1.77 2.80 0.00 -1.26 -4.87 120.51 115.60 1uf4 n ALA 17 Ca 0.15 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 1uf4 n ALA 17 Cb 0.31 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.41 1uf4 n ALA 17 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1uf4 s GLU 18 N -3.13 4.15 0.57 0.00 2.12 -0.52 -4.97 118.70 116.92 1uf4 s GLU 18 Ca 0.09 2.54 -0.10 0.00 0.36 0.00 0.00 54.97 57.86 1uf4 s GLU 18 Cb 0.13 -3.37 -0.04 0.00 0.26 0.00 0.00 34.13 31.11 1uf4 s GLU 18 CO 0.66 -0.77 0.96 0.95 -0.54 0.00 0.00 175.26 176.51 1uf4 s THR 19 N 2.01 4.74 0.47 -1.70 -4.23 -1.26 -4.88 115.64 110.79 1uf4 s THR 19 Ca 0.77 0.75 0.16 0.00 -1.18 0.00 0.00 61.69 62.19 1uf4 s THR 19 Cb -0.46 -3.85 0.21 0.00 1.34 0.00 0.00 72.50 69.75 1uf4 s THR 19 CO 0.34 -1.00 2.04 0.03 -0.54 0.00 0.00 174.62 175.49 1uf4 h ARG 20 N 0.02 0.00 -0.63 3.99 3.08 -1.93 -1.34 114.38 117.57 1uf4 h ARG 20 Ca -0.45 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.55 1uf4 h ARG 20 Cb 1.19 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.22 1uf4 h ARG 20 CO 0.62 0.13 0.21 0.93 -1.07 0.00 0.00 179.97 180.78 1uf4 h GLU 21 N 0.00 0.97 -0.45 0.04 3.07 -1.93 0.43 114.58 116.71 1uf4 h GLU 21 Ca -0.00 -0.20 -0.09 0.00 -0.50 0.00 0.00 59.36 58.56 1uf4 h GLU 21 Cb 0.24 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.99 1uf4 h GLU 21 CO 0.02 0.85 -0.09 1.96 -1.40 0.00 0.00 179.01 180.35 1uf4 h GLN 22 N 0.90 0.85 -0.56 2.33 4.20 -1.67 -2.22 115.11 118.95 1uf4 h GLN 22 Ca 0.20 -0.32 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 1uf4 h GLN 22 Cb 0.28 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1uf4 h GLN 22 CO -0.01 0.95 0.19 0.28 -0.67 0.00 0.00 178.83 179.57 1uf4 h VAL 23 N 0.69 1.23 -0.37 -0.54 2.07 -0.99 -2.03 116.25 116.31 1uf4 h VAL 23 Ca 0.12 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1uf4 h VAL 23 Cb 0.62 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1uf4 h VAL 23 CO 0.04 0.29 0.20 0.58 0.02 0.00 0.00 177.57 178.70 1uf4 h VAL 24 N 0.77 1.12 -0.22 2.57 2.07 -0.81 0.44 116.25 122.19 1uf4 h VAL 24 Ca 0.18 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1uf4 h VAL 24 Cb 0.25 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1uf4 h VAL 24 CO -0.01 0.13 0.13 0.58 0.02 0.00 0.00 177.57 178.42 1uf4 h VAL 25 N 0.51 1.10 -0.61 2.57 2.07 -0.74 0.56 116.25 121.70 1uf4 h VAL 25 Ca 0.13 -0.25 -0.10 0.00 0.82 0.00 0.00 66.70 67.31 1uf4 h VAL 25 Cb 0.02 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1uf4 h VAL 25 CO -0.02 0.09 -0.01 0.03 0.02 0.00 0.00 177.57 177.69 1uf4 h ARG 26 N 0.27 1.07 -0.47 1.57 3.08 -0.63 -2.06 114.38 117.20 1uf4 h ARG 26 Ca 0.08 -0.35 -0.03 0.00 0.07 0.00 0.00 59.98 59.76 1uf4 h ARG 26 Cb 0.04 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1uf4 h ARG 26 CO -0.01 1.05 0.19 -0.07 -1.07 0.00 0.00 179.97 180.06 1uf4 h LEU 27 N 0.97 0.65 -0.55 3.04 3.38 0.22 -2.45 115.31 120.57 1uf4 h LEU 27 Ca 0.17 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1uf4 h LEU 27 Cb 0.57 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1uf4 h LEU 27 CO 0.03 0.63 0.33 -0.07 0.09 0.00 0.00 178.44 179.46 1uf4 h LEU 28 N 0.62 0.66 -0.61 1.67 3.38 0.25 -1.68 115.31 119.60 1uf4 h LEU 28 Ca 0.16 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.10 1uf4 h LEU 28 Cb 0.18 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1uf4 h LEU 28 CO -0.01 0.52 0.37 -0.78 0.09 0.00 0.00 178.44 178.63 1uf4 h ASP 29 N 0.74 0.60 -0.37 -0.43 3.58 -1.21 -0.22 116.42 119.12 1uf4 h ASP 29 Ca 0.20 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.56 1uf4 h ASP 29 Cb -0.02 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 40.90 1uf4 h ASP 29 CO -0.04 0.42 -0.14 0.24 -2.88 0.00 0.00 179.24 176.84 1uf4 h MET 30 N 0.73 0.75 -0.36 0.28 2.86 -1.17 -1.18 114.93 116.84 1uf4 h MET 30 Ca 0.25 -0.31 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 1uf4 h MET 30 Cb 0.03 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1uf4 h MET 30 CO -0.11 0.92 0.07 1.25 1.06 0.00 0.00 176.91 180.09 1uf4 h LEU 31 N 0.54 0.49 -0.09 1.22 6.46 -1.04 0.48 115.31 123.37 1uf4 h LEU 31 Ca 0.09 -0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.75 1uf4 h LEU 31 Cb 0.67 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 40.47 1uf4 h LEU 31 CO 0.05 0.51 -0.06 0.74 -0.62 0.00 0.00 178.44 179.06 1uf4 h THR 32 N 0.52 1.34 -0.67 1.05 2.02 -0.79 -1.71 112.91 114.67 1uf4 h THR 32 Ca 0.12 -1.12 -0.06 0.00 0.77 0.00 0.00 66.41 66.11 1uf4 h THR 32 Cb 0.23 1.90 -0.03 0.00 -1.74 0.00 0.00 68.15 68.52 1uf4 h THR 32 CO -0.00 0.32 0.18 0.11 0.37 0.00 0.00 175.52 176.49 1uf4 h LYS 33 N -0.20 1.06 -0.90 6.66 1.57 -0.94 -0.61 116.57 123.21 1uf4 h LYS 33 Ca 0.02 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1uf4 h LYS 33 Cb 0.53 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.65 1uf4 h LYS 33 CO 0.02 0.94 0.54 0.00 -0.57 0.00 0.00 179.45 180.38 1uf4 h ALA 34 N 1.07 1.15 -0.40 3.86 0.00 -0.90 -1.64 119.26 122.40 1uf4 h ALA 34 Ca 0.21 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1uf4 h ALA 34 Cb 0.34 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1uf4 h ALA 34 CO -0.00 0.61 -0.16 0.00 0.00 0.00 0.00 179.25 179.70 1uf4 h ALA 35 N 1.30 0.97 0.00 0.00 0.00 -0.90 -1.72 119.26 118.91 1uf4 h ALA 35 Ca 0.32 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1uf4 h ALA 35 Cb -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1uf4 h ALA 35 CO -0.06 0.60 0.00 0.66 0.00 0.00 0.00 179.25 180.45 1uf4 h SER 36 N 0.67 0.00 -0.69 0.00 4.64 -0.22 -0.81 113.55 117.14 1uf4 h SER 36 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1uf4 h SER 36 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1uf4 h SER 36 CO 0.04 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.54 1uf4 n ARG 37 N -2.88 3.35 -0.25 4.77 1.74 -0.73 -4.95 116.66 117.71 1uf4 n ARG 37 Ca -0.01 -2.82 0.00 0.00 -0.77 0.00 0.00 57.85 54.26 1uf4 n ARG 37 Cb 0.19 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 1uf4 n ARG 37 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uf4 n GLY 38 N 1.36 1.15 3.76 -0.13 0.00 -0.31 -5.05 105.19 105.97 1uf4 n GLY 38 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 1uf4 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uf4 s ALA 39 N -2.76 3.50 -1.10 4.61 0.00 -0.73 -4.50 121.76 120.78 1uf4 s ALA 39 Ca 0.00 1.16 0.12 0.00 0.00 0.00 0.00 51.96 53.24 1uf4 s ALA 39 Cb 0.00 -3.46 0.30 0.00 0.00 0.00 0.00 23.12 19.96 1uf4 s ALA 39 CO 0.00 -0.54 1.22 0.27 0.00 0.00 0.00 175.76 176.71 1uf4 n ASN 40 N 1.47 2.86 -3.64 0.00 0.23 -0.21 -4.32 115.26 111.64 1uf4 n ASN 40 Ca 0.02 -1.92 -0.09 0.00 -0.53 0.00 0.00 54.58 52.06 1uf4 n ASN 40 Cb 0.42 -0.21 -0.07 0.00 -2.08 0.00 0.00 39.78 37.84 1uf4 n ASN 40 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1uf4 s PHE 41 N -1.00 -0.94 -0.06 -2.53 5.36 -1.25 -0.14 117.98 117.42 1uf4 s PHE 41 Ca 0.24 1.98 0.02 0.00 -0.96 0.00 0.00 56.93 58.21 1uf4 s PHE 41 Cb 0.13 0.50 0.02 0.00 -0.34 0.00 0.00 43.02 43.33 1uf4 s PHE 41 CO 0.17 -0.46 -0.10 -1.50 -1.46 0.00 0.00 175.22 171.87 1uf4 s ILE 42 N 1.20 0.96 -0.13 3.12 -1.16 -0.24 -0.27 121.20 124.69 1uf4 s ILE 42 Ca -0.07 -0.37 -0.19 0.00 -0.51 0.00 0.00 60.65 59.52 1uf4 s ILE 42 Cb -0.05 -0.90 -0.04 0.00 0.61 0.00 0.00 42.46 42.08 1uf4 s ILE 42 CO -0.13 0.32 0.51 -0.69 -2.81 0.00 0.00 174.94 172.14 1uf4 s VAL 43 N 0.80 5.15 0.27 4.00 1.01 0.40 -1.83 120.40 130.21 1uf4 s VAL 43 Ca -0.12 1.01 0.08 0.00 0.00 0.00 0.00 61.98 62.96 1uf4 s VAL 43 Cb -0.15 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1uf4 s VAL 43 CO 0.02 0.28 0.09 -0.36 0.00 0.00 0.00 175.10 175.14 1uf4 s PHE 44 N 0.87 2.85 1.11 5.22 2.99 0.05 -0.13 117.98 130.94 1uf4 s PHE 44 Ca 0.27 -0.21 -0.12 0.00 0.00 0.00 0.00 56.93 56.87 1uf4 s PHE 44 Cb -0.15 -1.35 0.25 0.00 0.00 0.00 0.00 43.02 41.77 1uf4 s PHE 44 CO 0.11 0.53 1.04 -2.30 -0.00 0.00 0.00 175.22 174.60 1uf4 n PRO 45 N -1.04 -1.96 -2.13 0.24 -0.02 -1.25 -3.87 135.00 124.96 1uf4 n PRO 45 Ca -0.06 -0.53 -0.38 0.00 -2.02 0.00 0.00 63.50 60.51 1uf4 n PRO 45 Cb 0.59 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1uf4 n PRO 45 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1uf4 s GLU 46 N -4.45 3.70 -1.20 -0.52 2.12 -1.26 -3.05 118.70 114.04 1uf4 s GLU 46 Ca 0.68 1.94 -0.23 0.00 0.36 0.00 0.00 54.97 57.71 1uf4 s GLU 46 Cb -0.25 -2.46 0.03 0.00 0.26 0.00 0.00 34.13 31.71 1uf4 s GLU 46 CO 0.63 -0.64 0.44 1.28 -0.54 0.00 0.00 175.26 176.43 1uf4 n LEU 47 N -0.43 -0.31 0.00 2.70 4.77 -1.23 -4.75 117.00 117.75 1uf4 n LEU 47 Ca 0.07 -1.19 0.12 0.00 -0.03 0.00 0.00 56.01 54.98 1uf4 n LEU 47 Cb 0.46 -1.45 0.72 0.00 -2.33 0.00 0.00 43.42 40.83 1uf4 n LEU 47 CO 0.50 0.67 0.90 0.00 -1.33 0.00 0.00 177.39 178.14 1uf4 n ALA 48 N -4.62 2.40 0.50 -1.18 0.00 -0.09 -3.44 120.51 114.09 1uf4 n ALA 48 Ca -0.16 -0.15 0.10 0.00 0.00 0.00 0.00 53.44 53.23 1uf4 n ALA 48 Cb 0.55 -1.40 -0.14 0.00 0.00 0.00 0.00 19.45 18.46 1uf4 n ALA 48 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1uf4 n LEU 49 N -1.00 0.50 -4.30 0.00 4.77 -1.26 -4.99 117.00 110.72 1uf4 n LEU 49 Ca 0.18 -0.26 -0.19 0.00 -0.03 0.00 0.00 56.01 55.71 1uf4 n LEU 49 Cb 0.08 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.09 1uf4 n LEU 49 CO 0.14 0.13 -0.16 0.42 -1.33 0.00 0.00 177.39 176.59 1uf4 s THR 50 N -3.19 0.12 0.70 -5.08 -4.23 -1.22 -4.60 115.64 98.13 1uf4 s THR 50 Ca 0.00 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.40 1uf4 s THR 50 Cb 0.15 -2.48 0.01 0.00 1.34 0.00 0.00 72.50 71.51 1uf4 s THR 50 CO 0.86 0.00 1.06 0.28 -0.54 0.00 0.00 174.62 176.28 1uf4 s THR 51 N -3.56 3.98 -1.23 3.99 -1.32 -1.26 -4.84 115.64 111.40 1uf4 s THR 51 Ca 0.38 0.65 -0.20 0.00 -1.21 0.00 0.00 61.69 61.31 1uf4 s THR 51 Cb 0.04 -3.37 -0.00 0.00 -1.51 0.00 0.00 72.50 67.65 1uf4 s THR 51 CO 0.22 -0.83 1.82 0.12 -2.21 0.00 0.00 174.62 173.74 1uf4 s PHE 52 N -3.01 2.39 0.39 9.09 5.36 -1.26 -4.79 117.98 126.15 1uf4 s PHE 52 Ca 0.58 -0.64 0.38 0.00 -0.96 0.00 0.00 56.93 56.29 1uf4 s PHE 52 Cb -0.14 -4.41 2.02 0.00 -0.34 0.00 0.00 43.02 40.14 1uf4 s PHE 52 CO 0.54 -1.55 2.17 0.27 -1.46 0.00 0.00 175.22 175.19 1uf4 h PHE 53 N 8.67 0.00 0.00 10.12 -5.15 -1.98 -3.03 116.94 125.57 1uf4 h PHE 53 Ca 0.33 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.10 1uf4 h PHE 53 Cb 0.91 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.08 1uf4 h PHE 53 CO 1.32 0.00 0.00 -2.30 -2.00 0.00 0.00 178.31 175.33 1uf4 n PRO 54 N -2.90 0.19 0.10 6.09 -0.02 -1.26 -1.96 135.00 135.25 1uf4 n PRO 54 Ca -0.02 0.07 0.12 0.00 -2.02 0.00 0.00 63.50 61.66 1uf4 n PRO 54 Cb 0.10 -1.50 0.27 0.00 -0.02 0.00 0.00 33.50 32.35 1uf4 n PRO 54 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 1uf4 h ARG 55 N 0.00 0.00 -6.20 -0.52 0.11 -1.65 -0.43 114.38 105.69 1uf4 h ARG 55 Ca 0.00 0.00 -0.63 0.00 0.10 0.00 0.00 59.98 59.45 1uf4 h ARG 55 Cb 0.02 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 31.01 1uf4 h ARG 55 CO 0.00 0.00 -0.60 -1.58 0.10 0.00 0.00 179.97 177.89 1uf4 s TRP 56 N -3.15 3.16 -0.41 4.08 0.51 -0.83 -0.41 118.94 121.89 1uf4 s TRP 56 Ca 0.08 0.05 -0.19 0.00 -2.12 0.00 0.00 56.10 53.92 1uf4 s TRP 56 Cb 0.12 -1.59 0.02 0.00 -0.81 0.00 0.00 33.47 31.20 1uf4 s TRP 56 CO 0.66 0.52 0.56 -1.58 -0.51 0.00 0.00 176.95 176.60 1uf4 s HIS 57 N -1.44 3.12 0.39 -1.98 5.65 -1.26 -4.86 115.29 114.91 1uf4 s HIS 57 Ca 0.29 -0.07 -0.12 0.00 0.25 0.00 0.00 55.06 55.41 1uf4 s HIS 57 Cb -0.12 -3.12 -0.07 0.00 -1.18 0.00 0.00 32.58 28.09 1uf4 s HIS 57 CO 0.22 -0.74 0.78 -0.06 -0.65 0.00 0.00 174.74 174.28 1uf4 s PHE 58 N 2.54 3.44 0.00 3.88 0.40 -1.26 -4.97 117.98 122.00 1uf4 s PHE 58 Ca 0.19 1.13 0.00 0.00 -0.60 0.00 0.00 56.93 57.65 1uf4 s PHE 58 Cb -0.15 -2.50 0.00 0.00 0.51 0.00 0.00 43.02 40.88 1uf4 s PHE 58 CO 0.16 -0.06 0.00 0.25 0.70 0.00 0.00 175.22 176.27 1uf4 n THR 59 N -1.03 0.00 -3.46 0.64 -2.24 -1.26 -5.00 114.28 101.94 1uf4 n THR 59 Ca 0.03 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.38 1uf4 n THR 59 Cb 0.54 -0.20 -0.08 0.00 -2.10 0.00 0.00 70.33 68.49 1uf4 n THR 59 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1uf4 s ASP 60 N -1.43 5.98 0.47 3.42 3.68 -1.26 -4.97 116.67 122.56 1uf4 s ASP 60 Ca 0.00 -1.39 0.17 0.00 2.13 0.00 0.00 52.55 53.46 1uf4 s ASP 60 Cb 0.00 -2.12 1.16 0.00 -1.45 0.00 0.00 42.92 40.51 1uf4 s ASP 60 CO 0.00 -0.61 2.01 -0.08 0.13 0.00 0.00 175.17 176.62 1uf4 h GLU 61 N 8.64 0.23 -0.45 4.34 4.81 -1.99 0.13 114.58 130.29 1uf4 h GLU 61 Ca -0.27 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 58.89 1uf4 h GLU 61 Cb 1.10 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 1uf4 h GLU 61 CO 0.84 0.15 0.02 0.00 -0.73 0.00 0.00 179.01 179.29 1uf4 h ALA 62 N 1.76 1.19 0.43 2.92 0.00 -1.99 1.00 119.26 124.57 1uf4 h ALA 62 Ca 0.22 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1uf4 h ALA 62 Cb 0.56 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1uf4 h ALA 62 CO -0.04 0.53 -0.21 0.93 0.00 0.00 0.00 179.25 180.46 1uf4 h GLU 63 N 0.68 -0.56 -0.01 0.00 4.39 -1.19 -2.58 114.58 115.31 1uf4 h GLU 63 Ca 0.14 0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.90 1uf4 h GLU 63 Cb 0.40 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 1uf4 h GLU 63 CO 0.01 -0.34 -0.12 1.25 -1.16 0.00 0.00 179.01 178.66 1uf4 h LEU 64 N -0.65 -0.35 -1.65 1.33 5.85 -1.05 -2.39 115.31 116.40 1uf4 h LEU 64 Ca -0.06 0.05 0.20 0.00 0.84 0.00 0.00 57.88 58.92 1uf4 h LEU 64 Cb 0.48 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 1uf4 h LEU 64 CO 0.10 -0.17 0.57 0.44 -0.34 0.00 0.00 178.44 179.04 1uf4 h ASP 65 N -0.20 0.29 0.03 1.25 3.45 -0.78 -1.09 116.42 119.38 1uf4 h ASP 65 Ca 0.05 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.54 1uf4 h ASP 65 Cb 0.26 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 39.00 1uf4 h ASP 65 CO -0.13 0.12 0.00 0.77 -1.57 0.00 0.00 179.24 178.43 1uf4 h SER 66 N 0.30 0.00 -0.08 6.45 4.64 -1.00 -1.21 113.55 122.64 1uf4 h SER 66 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1uf4 h SER 66 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1uf4 h SER 66 CO -0.12 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.33 1uf4 n PHE 67 N -2.41 0.09 -4.13 4.77 3.01 -0.41 -4.93 117.46 113.45 1uf4 n PHE 67 Ca -0.02 -0.04 -0.26 0.00 1.01 0.00 0.00 57.45 58.14 1uf4 n PHE 67 Cb 0.05 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.46 1uf4 n PHE 67 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1uf4 s TYR 68 N -1.91 3.04 -0.10 1.38 1.51 -0.46 -4.48 117.35 116.33 1uf4 s TYR 68 Ca 0.34 -0.07 -0.13 0.00 -1.01 0.00 0.00 57.07 56.20 1uf4 s TYR 68 Cb 0.20 -1.45 -0.05 0.00 -0.11 0.00 0.00 41.96 40.55 1uf4 s TYR 68 CO 0.31 0.52 0.32 -1.21 -1.11 0.00 0.00 175.55 174.38 1uf4 s GLU 69 N -3.15 4.04 0.00 -0.62 0.41 0.25 -4.88 118.70 114.75 1uf4 s GLU 69 Ca 0.30 0.18 0.22 0.00 -0.41 0.00 0.00 54.97 55.26 1uf4 s GLU 69 Cb -0.09 -3.33 0.13 0.00 -1.78 0.00 0.00 34.13 29.05 1uf4 s GLU 69 CO 0.22 0.45 1.17 0.25 -0.49 0.00 0.00 175.26 176.86 1uf4 n THR 70 N 2.83 0.00 -3.54 3.63 -2.24 -1.26 -1.70 114.28 111.99 1uf4 n THR 70 Ca -0.13 -0.44 -0.15 0.00 -2.27 0.00 0.00 64.05 61.06 1uf4 n THR 70 Cb 0.52 1.41 -0.06 0.00 -2.10 0.00 0.00 70.33 70.11 1uf4 n THR 70 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1uf4 s GLU 71 N -2.02 0.87 -0.17 -0.78 -1.05 -1.26 -4.98 118.70 109.31 1uf4 s GLU 71 Ca 0.24 0.22 -0.05 0.00 -0.15 0.00 0.00 54.97 55.23 1uf4 s GLU 71 Cb 0.18 0.41 0.06 0.00 -0.44 0.00 0.00 34.13 34.35 1uf4 s GLU 71 CO 0.35 -0.27 0.11 1.41 0.95 0.00 0.00 175.26 177.82 1uf4 s MET 72 N -1.14 0.07 0.56 -4.83 1.75 -1.26 -3.75 119.30 110.71 1uf4 s MET 72 Ca -0.07 0.01 -0.01 0.00 -1.25 0.00 0.00 55.69 54.37 1uf4 s MET 72 Cb -0.00 -1.61 0.03 0.00 2.84 0.00 0.00 34.83 36.08 1uf4 s MET 72 CO 0.06 -0.64 0.81 -1.25 -0.65 0.00 0.00 175.02 173.35 1uf4 s PRO 73 N 2.18 2.62 0.57 4.11 0.04 -1.26 -5.09 135.00 138.16 1uf4 s PRO 73 Ca 0.03 -0.56 0.09 0.00 0.04 0.00 0.00 61.00 60.60 1uf4 s PRO 73 Cb -0.16 -2.43 0.08 0.00 0.04 0.00 0.00 34.50 32.04 1uf4 s PRO 73 CO -0.09 -0.72 0.72 0.20 0.04 0.00 0.00 177.00 177.15 1uf4 s GLY 74 N -4.39 1.86 0.30 0.56 0.00 -1.25 -4.85 107.32 99.55 1uf4 s GLY 74 Ca 0.56 -1.97 0.02 0.00 0.00 0.00 0.00 44.72 43.33 1uf4 s GLY 74 CO 0.40 -1.75 1.86 -2.55 0.00 0.00 0.00 173.10 171.06 1uf4 h PRO 75 N 0.29 0.94 0.00 2.90 0.11 -2.00 -0.82 132.00 133.41 1uf4 h PRO 75 Ca -0.31 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.65 1uf4 h PRO 75 Cb 1.29 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1uf4 h PRO 75 CO 0.44 0.62 -0.46 0.28 -0.21 0.00 0.00 178.00 178.67 1uf4 h VAL 76 N 0.97 1.16 0.00 3.15 2.07 -1.98 -3.24 116.25 118.38 1uf4 h VAL 76 Ca 0.47 -1.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.29 1uf4 h VAL 76 Cb 0.46 1.96 -0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1uf4 h VAL 76 CO -0.23 0.46 -1.61 0.52 0.02 0.00 0.00 177.57 176.73 1uf4 n VAL 77 N -3.73 0.29 -0.30 2.57 0.31 -0.89 -4.43 118.33 112.16 1uf4 n VAL 77 Ca -0.01 -0.53 0.12 0.00 -0.01 0.00 0.00 64.34 63.91 1uf4 n VAL 77 Cb 0.53 -0.16 0.28 0.00 -0.91 0.00 0.00 33.84 33.59 1uf4 n VAL 77 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1uf4 h ARG 78 N 0.00 0.33 -0.68 5.55 2.43 -1.19 0.02 114.38 120.84 1uf4 h ARG 78 Ca -0.01 -0.02 0.20 0.00 -0.81 0.00 0.00 59.98 59.33 1uf4 h ARG 78 Cb 1.03 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.48 1uf4 h ARG 78 CO 0.00 0.22 0.56 -1.35 -1.51 0.00 0.00 179.97 177.88 1uf4 h PRO 79 N 0.33 0.00 -0.16 0.20 0.11 -1.77 0.15 132.00 130.86 1uf4 h PRO 79 Ca 0.54 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.60 1uf4 h PRO 79 Cb 1.02 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1uf4 h PRO 79 CO -0.56 0.00 -0.08 1.25 -0.21 0.00 0.00 178.00 178.40 1uf4 h LEU 80 N 0.00 0.35 -0.66 2.35 5.85 -1.29 -1.47 115.31 120.43 1uf4 h LEU 80 Ca 0.32 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1uf4 h LEU 80 Cb 1.43 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.34 1uf4 h LEU 80 CO -0.00 0.69 0.38 -0.26 -0.34 0.00 0.00 178.44 178.90 1uf4 h PHE 81 N 0.01 0.90 -0.43 1.25 -1.00 -1.08 -0.31 116.94 116.27 1uf4 h PHE 81 Ca 0.03 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.80 1uf4 h PHE 81 Cb 0.56 -0.29 -0.02 0.00 3.61 0.00 0.00 35.95 39.81 1uf4 h PHE 81 CO 0.07 0.63 0.25 0.93 -1.61 0.00 0.00 178.31 178.57 1uf4 h GLU 82 N 0.91 0.59 -0.42 1.51 5.08 -1.26 -0.66 114.58 120.33 1uf4 h GLU 82 Ca 0.24 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 1uf4 h GLU 82 Cb 0.01 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1uf4 h GLU 82 CO -0.04 0.46 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.20 1uf4 h LYS 83 N 0.56 0.68 0.02 2.33 1.63 -0.99 0.10 116.57 120.91 1uf4 h LYS 83 Ca 0.15 -0.17 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1uf4 h LYS 83 Cb 0.03 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 31.57 1uf4 h LYS 83 CO -0.03 0.70 -0.02 0.00 -3.45 0.00 0.00 179.45 176.65 1uf4 h ALA 84 N 1.35 -0.04 -0.67 5.00 0.00 -0.38 -0.45 119.26 124.07 1uf4 h ALA 84 Ca 0.13 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1uf4 h ALA 84 Cb 0.41 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1uf4 h ALA 84 CO 0.02 -0.53 0.16 0.00 0.00 0.00 0.00 179.25 178.90 1uf4 h ALA 85 N 0.93 0.89 0.47 0.00 0.00 -0.86 0.35 119.26 121.04 1uf4 h ALA 85 Ca 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1uf4 h ALA 85 Cb 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1uf4 h ALA 85 CO -0.01 0.61 -0.24 1.49 0.00 0.00 0.00 179.25 181.10 1uf4 h GLU 86 N 1.01 -0.63 -0.00 0.00 4.81 -0.64 -2.96 114.58 116.16 1uf4 h GLU 86 Ca 0.21 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1uf4 h GLU 86 Cb 0.38 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1uf4 h GLU 86 CO 0.00 -0.42 -0.04 1.28 -0.73 0.00 0.00 179.01 179.10 1uf4 n LEU 87 N -5.38 0.08 -2.63 1.64 4.77 -0.21 -4.95 117.00 110.32 1uf4 n LEU 87 Ca -0.12 0.32 -0.10 0.00 -0.03 0.00 0.00 56.01 56.08 1uf4 n LEU 87 Cb 0.28 -0.35 0.05 0.00 -2.33 0.00 0.00 43.42 41.07 1uf4 n LEU 87 CO 0.36 0.02 0.03 0.61 -1.33 0.00 0.00 177.39 177.08 1uf4 n GLY 88 N 1.37 -0.35 2.97 -0.72 0.00 -0.00 -5.04 105.19 103.42 1uf4 n GLY 88 Ca 0.11 0.19 -0.13 0.00 0.00 0.00 0.00 46.02 46.19 1uf4 n GLY 88 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1uf4 s ILE 89 N -3.25 -0.44 0.87 -0.61 2.07 -0.52 -4.64 121.20 114.68 1uf4 s ILE 89 Ca 0.23 0.15 -0.15 0.00 -1.41 0.00 0.00 60.65 59.47 1uf4 s ILE 89 Cb -0.03 -0.55 0.21 0.00 0.13 0.00 0.00 42.46 42.21 1uf4 s ILE 89 CO 0.48 0.02 1.02 0.61 -1.91 0.00 0.00 174.94 175.17 1uf4 n GLY 90 N 5.35 -1.86 3.65 1.50 0.00 0.80 -4.61 105.19 110.02 1uf4 n GLY 90 Ca -0.06 -1.63 -0.07 0.00 0.00 0.00 0.00 46.02 44.26 1uf4 n GLY 90 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1uf4 s PHE 91 N -3.13 -0.27 -0.25 1.61 -0.12 0.20 -1.08 117.98 114.94 1uf4 s PHE 91 Ca 0.60 -0.01 0.03 0.00 -0.05 0.00 0.00 56.93 57.50 1uf4 s PHE 91 Cb -0.03 0.62 0.06 0.00 -0.63 0.00 0.00 43.02 43.03 1uf4 s PHE 91 CO 0.44 -0.85 -0.11 1.21 -0.05 0.00 0.00 175.22 175.85 1uf4 s ASN 92 N -2.79 4.25 -0.16 1.98 3.84 -0.76 -0.71 114.94 120.59 1uf4 s ASN 92 Ca 0.08 -1.30 -0.01 0.00 0.21 0.00 0.00 52.86 51.84 1uf4 s ASN 92 Cb -0.02 -1.50 -0.01 0.00 -0.55 0.00 0.00 41.25 39.17 1uf4 s ASN 92 CO -0.02 -0.18 -0.11 -0.22 -2.79 0.00 0.00 177.10 173.78 1uf4 s LEU 93 N 1.15 2.75 0.01 3.21 2.96 -0.86 -0.77 118.68 127.13 1uf4 s LEU 93 Ca -0.07 -0.35 -0.07 0.00 -0.22 0.00 0.00 54.13 53.42 1uf4 s LEU 93 Cb -0.19 -1.65 -0.05 0.00 0.50 0.00 0.00 46.19 44.81 1uf4 s LEU 93 CO -0.06 0.11 0.27 -0.83 -1.32 0.00 0.00 176.35 174.52 1uf4 s GLY 94 N 0.70 2.25 0.13 7.98 0.00 -1.17 -1.58 107.32 115.64 1uf4 s GLY 94 Ca -0.05 -0.57 -0.25 0.00 0.00 0.00 0.00 44.72 43.86 1uf4 s GLY 94 CO 0.02 -0.38 0.78 -2.52 0.00 0.00 0.00 173.10 171.00 1uf4 s TYR 95 N -1.29 -0.34 -0.32 1.90 -0.85 0.11 -0.91 117.35 115.64 1uf4 s TYR 95 Ca 0.27 0.08 -0.23 0.00 -0.52 0.00 0.00 57.07 56.68 1uf4 s TYR 95 Cb -0.13 0.60 0.00 0.00 0.38 0.00 0.00 41.96 42.81 1uf4 s TYR 95 CO 0.16 -0.83 0.75 0.00 -1.52 0.00 0.00 175.55 174.11 1uf4 s ALA 96 N -3.51 3.51 -0.24 9.51 0.00 -1.26 -0.86 121.76 128.90 1uf4 s ALA 96 Ca 0.06 -0.52 -0.13 0.00 0.00 0.00 0.00 51.96 51.37 1uf4 s ALA 96 Cb -0.02 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 1uf4 s ALA 96 CO -0.05 -1.24 0.28 -2.00 0.00 0.00 0.00 175.76 172.75 1uf4 s GLU 97 N 2.91 4.08 -0.21 0.00 2.12 -0.44 0.87 118.70 128.03 1uf4 s GLU 97 Ca 0.31 -0.06 -0.02 0.00 0.36 0.00 0.00 54.97 55.56 1uf4 s GLU 97 Cb -0.14 -3.57 0.00 0.00 0.26 0.00 0.00 34.13 30.68 1uf4 s GLU 97 CO 0.13 -0.06 -0.10 -1.17 -0.54 0.00 0.00 175.26 173.52 1uf4 s LEU 98 N 1.41 2.61 -0.05 2.70 2.96 -0.69 -1.77 118.68 125.85 1uf4 s LEU 98 Ca 0.13 -0.51 0.04 0.00 -0.22 0.00 0.00 54.13 53.57 1uf4 s LEU 98 Cb -0.15 -1.64 -0.00 0.00 0.50 0.00 0.00 46.19 44.91 1uf4 s LEU 98 CO 0.07 -0.02 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.22 1uf4 s VAL 99 N 1.40 1.53 -0.35 1.68 1.01 -0.41 -4.48 120.40 120.78 1uf4 s VAL 99 Ca 0.05 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 1uf4 s VAL 99 Cb -0.14 -1.32 0.04 0.00 0.00 0.00 0.00 36.38 34.96 1uf4 s VAL 99 CO -0.07 0.44 0.14 -0.69 0.00 0.00 0.00 175.10 174.92 1uf4 s VAL 100 N 0.15 3.96 -0.26 2.92 1.01 -1.26 0.79 120.40 127.71 1uf4 s VAL 100 Ca -0.07 -1.11 -0.03 0.00 0.00 0.00 0.00 61.98 60.77 1uf4 s VAL 100 Cb -0.13 -3.26 0.02 0.00 0.00 0.00 0.00 36.38 33.01 1uf4 s VAL 100 CO 0.03 -0.22 -0.03 -1.61 0.00 0.00 0.00 175.10 173.27 1uf4 s GLU 101 N 1.43 2.93 -1.52 2.72 2.02 0.13 -4.66 118.70 121.76 1uf4 s GLU 101 Ca -0.00 -0.92 -0.13 0.00 0.02 0.00 0.00 54.97 53.93 1uf4 s GLU 101 Cb -0.20 -3.07 0.09 0.00 0.10 0.00 0.00 34.13 31.05 1uf4 s GLU 101 CO 0.03 -0.39 0.89 0.41 0.02 0.00 0.00 175.26 176.22 1uf4 n GLY 102 N 4.72 -0.50 2.42 -1.39 0.00 -1.26 -0.34 105.19 108.85 1uf4 n GLY 102 Ca -0.16 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1uf4 n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uf4 n GLY 103 N -1.60 1.91 3.73 -0.02 0.00 -1.26 -5.02 105.19 102.94 1uf4 n GLY 103 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1uf4 n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uf4 s VAL 104 N -3.08 5.39 0.01 1.61 1.01 0.54 -5.08 120.40 120.81 1uf4 s VAL 104 Ca 0.00 0.26 -0.24 0.00 0.00 0.00 0.00 61.98 62.00 1uf4 s VAL 104 Cb 0.00 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 1uf4 s VAL 104 CO 0.00 0.44 0.71 -0.54 0.00 0.00 0.00 175.10 175.71 1uf4 s LYS 105 N 0.33 4.44 -0.10 2.72 1.02 -1.26 0.19 119.74 127.08 1uf4 s LYS 105 Ca 0.10 0.95 0.04 0.00 0.02 0.00 0.00 55.97 57.08 1uf4 s LYS 105 Cb -0.11 -3.37 0.00 0.00 -0.52 0.00 0.00 37.83 33.82 1uf4 s LYS 105 CO -0.01 0.26 -0.23 1.03 -0.92 0.00 0.00 175.35 175.48 1uf4 s ARG 106 N 0.08 3.06 -0.08 1.68 0.52 0.24 -4.97 118.95 119.48 1uf4 s ARG 106 Ca 0.37 -0.87 0.02 0.00 -0.52 0.00 0.00 55.73 54.73 1uf4 s ARG 106 Cb -0.19 -2.32 -0.02 0.00 0.52 0.00 0.00 34.95 32.93 1uf4 s ARG 106 CO 0.21 0.16 -0.14 1.03 0.02 0.00 0.00 175.30 176.58 1uf4 s ARG 107 N 0.38 2.81 0.03 3.54 0.52 -1.26 -1.29 118.95 123.67 1uf4 s ARG 107 Ca -0.18 -0.69 -0.02 0.00 -0.52 0.00 0.00 55.73 54.32 1uf4 s ARG 107 Cb -0.18 -2.46 -0.02 0.00 0.52 0.00 0.00 34.95 32.81 1uf4 s ARG 107 CO 0.08 0.48 0.02 -0.06 0.02 0.00 0.00 175.30 175.85 1uf4 s PHE 108 N -0.36 0.28 -0.46 -0.53 0.40 -0.73 -0.64 117.98 115.94 1uf4 s PHE 108 Ca 0.04 -0.60 -0.16 0.00 -0.60 0.00 0.00 56.93 55.61 1uf4 s PHE 108 Cb -0.12 -0.21 0.06 0.00 0.51 0.00 0.00 43.02 43.26 1uf4 s PHE 108 CO 0.02 -0.29 0.39 1.21 0.70 0.00 0.00 175.22 177.25 1uf4 s ASN 109 N -1.95 6.14 0.30 1.36 3.84 -1.26 -1.33 114.94 122.04 1uf4 s ASN 109 Ca -0.08 -1.21 0.09 0.00 0.21 0.00 0.00 52.86 51.88 1uf4 s ASN 109 Cb -0.03 -2.18 -0.05 0.00 -0.55 0.00 0.00 41.25 38.43 1uf4 s ASN 109 CO -0.04 -0.62 0.02 -0.89 -2.79 0.00 0.00 177.10 172.79 1uf4 s THR 110 N 1.70 3.10 -0.11 -5.21 2.01 -0.04 -0.60 115.64 116.49 1uf4 s THR 110 Ca 0.05 -1.90 -0.13 0.00 0.31 0.00 0.00 61.69 60.02 1uf4 s THR 110 Cb -0.23 -2.83 0.03 0.00 0.01 0.00 0.00 72.50 69.48 1uf4 s THR 110 CO 0.08 -0.29 0.34 -0.94 -0.69 0.00 0.00 174.62 173.12 1uf4 s SER 111 N -3.71 -0.34 0.17 3.53 1.04 -0.76 0.03 113.70 113.66 1uf4 s SER 111 Ca 0.34 0.61 0.07 0.00 0.48 0.00 0.00 55.95 57.45 1uf4 s SER 111 Cb -0.04 0.65 -0.04 0.00 0.10 0.00 0.00 66.02 66.69 1uf4 s SER 111 CO 0.20 -0.17 -0.14 0.27 0.98 0.00 0.00 173.24 174.38 1uf4 s ILE 112 N -0.03 1.54 -0.19 -1.02 -4.36 -0.61 -1.33 121.20 115.20 1uf4 s ILE 112 Ca -0.02 -2.03 -0.02 0.00 -0.26 0.00 0.00 60.65 58.32 1uf4 s ILE 112 Cb -0.03 -1.86 -0.01 0.00 1.25 0.00 0.00 42.46 41.82 1uf4 s ILE 112 CO 0.01 -0.55 -0.09 -0.76 0.24 0.00 0.00 174.94 173.79 1uf4 s LEU 113 N -3.00 2.74 -0.13 0.37 1.43 -0.49 -2.03 118.68 117.58 1uf4 s LEU 113 Ca 0.17 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1uf4 s LEU 113 Cb -0.02 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 1uf4 s LEU 113 CO 0.05 0.04 -0.10 -0.69 0.23 0.00 0.00 176.35 175.87 1uf4 s VAL 114 N 1.13 3.31 0.72 -1.59 1.01 0.11 0.08 120.40 125.17 1uf4 s VAL 114 Ca 0.01 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.31 1uf4 s VAL 114 Cb -0.14 -2.40 0.16 0.00 0.00 0.00 0.00 36.38 34.00 1uf4 s VAL 114 CO -0.02 0.53 0.99 -0.90 0.00 0.00 0.00 175.10 175.69 1uf4 n ASP 115 N 3.36 0.27 0.00 3.32 5.68 -0.14 -0.63 116.55 128.40 1uf4 n ASP 115 Ca -0.18 -1.48 0.07 0.00 -0.50 0.00 0.00 54.79 52.71 1uf4 n ASP 115 Cb 0.53 -0.74 0.36 0.00 -1.14 0.00 0.00 41.12 40.13 1uf4 n ASP 115 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1uf4 n LYS 116 N -3.04 0.20 0.00 0.11 2.85 -1.26 -1.33 118.16 115.69 1uf4 n LYS 116 Ca 0.13 0.15 0.13 0.00 -1.05 0.00 0.00 58.31 57.67 1uf4 n LYS 116 Cb 0.45 -1.50 0.33 0.00 -0.65 0.00 0.00 35.03 33.66 1uf4 n LYS 116 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1uf4 n SER 117 N -1.29 1.18 0.00 -5.58 7.64 -1.26 -3.94 113.62 110.37 1uf4 n SER 117 Ca 0.07 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.95 1uf4 n SER 117 Cb 0.12 0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 1uf4 n SER 117 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uf4 n GLY 118 N 1.35 0.65 3.46 0.23 0.00 -0.44 -4.50 105.19 105.93 1uf4 n GLY 118 Ca 0.12 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 45.06 1uf4 n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uf4 s LYS 119 N -2.55 2.44 -0.24 1.61 1.02 -1.26 -4.89 119.74 115.88 1uf4 s LYS 119 Ca 0.00 -0.73 -0.29 0.00 0.02 0.00 0.00 55.97 54.97 1uf4 s LYS 119 Cb 0.00 -2.34 -0.01 0.00 -0.52 0.00 0.00 37.83 34.96 1uf4 s LYS 119 CO 0.00 0.61 1.40 0.42 -0.92 0.00 0.00 175.35 176.86 1uf4 s ILE 120 N -0.73 4.02 -0.17 2.17 1.01 -1.26 -0.97 121.20 125.26 1uf4 s ILE 120 Ca 0.12 1.17 0.17 0.00 0.00 0.00 0.00 60.65 62.10 1uf4 s ILE 120 Cb -0.11 -3.97 0.37 0.00 0.01 0.00 0.00 42.46 38.76 1uf4 s ILE 120 CO 0.01 -0.34 1.25 1.33 0.00 0.00 0.00 174.94 177.18 1uf4 n VAL 121 N 6.08 1.97 0.00 2.92 0.24 0.11 -4.98 118.33 124.66 1uf4 n VAL 121 Ca 0.16 -2.02 0.00 0.00 -2.04 0.00 0.00 64.34 60.44 1uf4 n VAL 121 Cb 0.46 -0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 1uf4 n VAL 121 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1uf4 n GLY 122 N -0.98 2.31 3.10 7.63 0.00 -1.23 -4.75 105.19 111.28 1uf4 n GLY 122 Ca 0.17 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 1uf4 n GLY 122 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1uf4 s LYS 123 N -2.00 0.55 -0.02 1.61 2.20 -1.26 -1.39 119.74 119.43 1uf4 s LYS 123 Ca 0.00 -0.72 -0.05 0.00 -0.36 0.00 0.00 55.97 54.84 1uf4 s LYS 123 Cb 0.00 0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.54 1uf4 s LYS 123 CO 0.00 -0.13 0.10 -0.47 -0.36 0.00 0.00 175.35 174.49 1uf4 s TYR 124 N -2.43 -0.00 -0.12 4.03 5.04 -0.44 -4.88 117.35 118.55 1uf4 s TYR 124 Ca -0.07 0.01 0.02 0.00 -2.44 0.00 0.00 57.07 54.59 1uf4 s TYR 124 Cb -0.02 -0.03 0.01 0.00 0.35 0.00 0.00 41.96 42.27 1uf4 s TYR 124 CO -0.04 -0.17 -0.17 1.03 -1.34 0.00 0.00 175.55 174.86 1uf4 s ARG 125 N -0.73 2.47 -0.47 4.97 0.52 -1.26 -1.82 118.95 122.62 1uf4 s ARG 125 Ca -0.08 -0.65 -0.45 0.00 -0.52 0.00 0.00 55.73 54.03 1uf4 s ARG 125 Cb -0.05 -2.08 -0.19 0.00 0.52 0.00 0.00 34.95 33.15 1uf4 s ARG 125 CO 0.01 -0.07 1.76 1.17 0.02 0.00 0.00 175.30 178.18 1uf4 n LYS 126 N 4.24 0.18 -0.02 3.54 4.81 0.23 -3.51 118.16 127.63 1uf4 n LYS 126 Ca -0.19 0.06 -0.16 0.00 -0.87 0.00 0.00 58.31 57.15 1uf4 n LYS 126 Cb 0.51 -1.60 -0.14 0.00 0.02 0.00 0.00 35.03 33.82 1uf4 n LYS 126 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1uf4 n ILE 127 N 4.73 1.69 -3.39 3.15 5.41 -1.26 0.68 119.36 130.36 1uf4 n ILE 127 Ca 0.36 -0.72 -0.44 0.00 1.00 0.00 0.00 62.75 62.95 1uf4 n ILE 127 Cb -0.02 -1.39 -0.06 0.00 -0.71 0.00 0.00 39.64 37.45 1uf4 n ILE 127 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1uf4 s HIS 128 N -2.57 3.29 -0.35 1.39 3.76 -1.26 -4.49 115.29 115.06 1uf4 s HIS 128 Ca -0.15 -1.40 -0.22 0.00 -0.15 0.00 0.00 55.06 53.14 1uf4 s HIS 128 Cb 0.07 -3.63 0.01 0.00 1.11 0.00 0.00 32.58 30.14 1uf4 s HIS 128 CO 0.79 -0.98 0.72 -0.51 -0.85 0.00 0.00 174.74 173.90 1uf4 s LEU 129 N 1.54 4.18 0.90 0.89 1.43 -1.26 -4.56 118.68 121.80 1uf4 s LEU 129 Ca 0.04 0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 53.32 1uf4 s LEU 129 Cb -0.28 -2.93 0.19 0.00 0.03 0.00 0.00 46.19 43.20 1uf4 s LEU 129 CO 0.02 -0.66 1.23 -2.16 0.23 0.00 0.00 176.35 175.02 1uf4 s PRO 130 N 2.92 0.81 1.11 1.29 0.04 -1.26 -4.75 135.00 135.16 1uf4 s PRO 130 Ca 0.28 -0.75 0.00 0.00 0.04 0.00 0.00 61.00 60.57 1uf4 s PRO 130 Cb -0.14 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1uf4 s PRO 130 CO 0.16 -2.20 0.00 0.41 0.04 0.00 0.00 177.00 175.40 1uf4 n GLY 131 N -3.51 -1.73 3.92 0.56 0.00 -1.26 -4.02 105.19 99.15 1uf4 n GLY 131 Ca 0.16 -1.59 -0.26 0.00 0.00 0.00 0.00 46.02 44.33 1uf4 n GLY 131 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1uf4 s HIS 132 N 0.00 1.46 -0.06 1.61 -3.43 -1.03 -4.96 115.29 108.89 1uf4 s HIS 132 Ca 0.00 -0.88 0.07 0.00 -0.80 0.00 0.00 55.06 53.45 1uf4 s HIS 132 Cb 0.00 -1.90 -0.11 0.00 -1.43 0.00 0.00 32.58 29.14 1uf4 s HIS 132 CO 0.00 -0.58 0.07 1.17 -2.00 0.00 0.00 174.74 173.40 1uf4 n LYS 133 N -1.84 1.98 -4.28 -0.38 0.00 -1.26 -4.32 118.16 108.06 1uf4 n LYS 133 Ca -0.01 -0.03 -0.28 0.00 0.00 0.00 0.00 58.31 57.99 1uf4 n LYS 133 Cb 0.64 -1.20 -0.10 0.00 0.00 0.00 0.00 35.03 34.38 1uf4 n LYS 133 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1uf4 s GLU 134 N -2.31 2.00 0.20 1.64 2.02 -1.26 -4.80 118.70 116.20 1uf4 s GLU 134 Ca -0.04 -1.20 -0.32 0.00 0.02 0.00 0.00 54.97 53.44 1uf4 s GLU 134 Cb 0.03 -2.18 -0.14 0.00 0.10 0.00 0.00 34.13 31.94 1uf4 s GLU 134 CO 0.32 0.46 1.38 0.98 0.02 0.00 0.00 175.26 178.43 1uf4 n TYR 135 N 0.37 1.97 -3.87 1.61 9.36 -1.26 -4.97 117.16 120.38 1uf4 n TYR 135 Ca -0.12 0.47 -0.30 0.00 3.32 0.00 0.00 57.90 61.26 1uf4 n TYR 135 Cb 0.54 -2.43 -0.14 0.00 -0.63 0.00 0.00 39.34 36.68 1uf4 n TYR 135 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1uf4 s GLU 136 N -0.14 1.37 0.54 2.98 2.02 -1.26 -5.01 118.70 119.19 1uf4 s GLU 136 Ca 0.72 -1.89 0.39 0.00 0.02 0.00 0.00 54.97 54.21 1uf4 s GLU 136 Cb -0.71 -2.77 1.57 0.00 0.10 0.00 0.00 34.13 32.33 1uf4 s GLU 136 CO 0.48 -1.04 1.74 0.00 0.02 0.00 0.00 175.26 176.46 1uf4 h ALA 137 N 7.29 3.26 -0.15 5.21 0.00 -2.02 -2.26 119.26 130.58 1uf4 h ALA 137 Ca -0.06 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 1uf4 h ALA 137 Cb 0.97 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1uf4 h ALA 137 CO 0.54 -1.67 -0.56 0.10 0.00 0.00 0.00 179.25 177.65 1uf4 h TYR 138 N 0.02 0.58 -3.07 0.00 -0.00 -2.01 -3.45 116.97 109.05 1uf4 h TYR 138 Ca 0.68 -0.21 -0.53 0.00 -0.00 0.00 0.00 58.73 58.67 1uf4 h TYR 138 Cb 2.64 -0.11 0.07 0.00 -0.00 0.00 0.00 36.73 39.32 1uf4 h TYR 138 CO -0.00 0.92 0.90 1.03 -0.00 0.00 0.00 178.16 181.01 1uf4 s ARG 139 N -3.93 4.16 0.19 0.10 0.52 -0.85 -4.88 118.95 114.26 1uf4 s ARG 139 Ca -0.06 2.51 0.20 0.00 -0.52 0.00 0.00 55.73 57.86 1uf4 s ARG 139 Cb 0.11 -3.07 0.87 0.00 0.52 0.00 0.00 34.95 33.38 1uf4 s ARG 139 CO 0.83 -0.63 1.61 -0.35 0.02 0.00 0.00 175.30 176.78 1uf4 n PRO 140 N 2.99 0.13 -3.63 3.54 -0.04 -1.26 -4.63 135.00 132.10 1uf4 n PRO 140 Ca 0.11 0.41 -0.12 0.00 -0.04 0.00 0.00 63.50 63.86 1uf4 n PRO 140 Cb 0.37 -1.78 -0.07 0.00 -0.04 0.00 0.00 33.50 31.99 1uf4 n PRO 140 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1uf4 s PHE 141 N -3.25 -0.73 0.85 0.54 -0.71 -1.26 -5.08 117.98 108.33 1uf4 s PHE 141 Ca 0.04 1.74 -0.09 0.00 -1.04 0.00 0.00 56.93 57.58 1uf4 s PHE 141 Cb 0.09 0.32 0.17 0.00 -1.21 0.00 0.00 43.02 42.38 1uf4 s PHE 141 CO 0.32 -0.35 1.17 -0.65 -1.34 0.00 0.00 175.22 174.37 1uf4 s GLN 142 N 0.45 1.13 -0.45 1.99 -1.52 0.45 -4.98 119.66 116.74 1uf4 s GLN 142 Ca -0.00 -0.74 0.06 0.00 -1.95 0.00 0.00 55.36 52.73 1uf4 s GLN 142 Cb -0.05 -2.07 0.21 0.00 -0.22 0.00 0.00 33.01 30.88 1uf4 s GLN 142 CO -0.03 -1.96 0.61 1.58 -0.25 0.00 0.00 175.29 175.24 1uf4 n HIS 143 N -3.33 -2.04 -1.64 0.91 -0.00 -1.23 -3.92 115.22 103.98 1uf4 n HIS 143 Ca 0.15 -2.55 -0.36 0.00 0.46 0.00 0.00 57.72 55.42 1uf4 n HIS 143 Cb 0.60 0.69 0.04 0.00 -0.12 0.00 0.00 29.99 31.20 1uf4 n HIS 143 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1uf4 n LEU 144 N 2.22 7.40 -0.16 0.27 4.77 -0.17 -2.47 117.00 128.85 1uf4 n LEU 144 Ca 0.20 -4.49 -0.08 0.00 -0.03 0.00 0.00 56.01 51.60 1uf4 n LEU 144 Cb 0.55 -1.06 0.06 0.00 -2.33 0.00 0.00 43.42 40.63 1uf4 n LEU 144 CO 0.07 1.64 0.78 -0.33 -1.33 0.00 0.00 177.39 178.22 1uf4 h GLU 145 N 2.62 0.95 0.00 3.23 5.08 -1.78 -2.50 114.58 122.18 1uf4 h GLU 145 Ca 0.54 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1uf4 h GLU 145 Cb 0.39 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1uf4 h GLU 145 CO 1.38 1.00 0.13 0.87 -1.00 0.00 0.00 179.01 181.39 1uf4 h LYS 146 N 0.86 0.00 0.01 2.33 1.57 -1.75 -0.87 116.57 118.72 1uf4 h LYS 146 Ca 0.14 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.60 1uf4 h LYS 146 Cb 0.63 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.90 1uf4 h LYS 146 CO 0.04 0.00 -1.78 -2.13 -0.57 0.00 0.00 179.45 175.01 1uf4 n ARG 147 N -2.93 0.60 0.00 3.15 0.63 -0.97 -4.42 116.66 112.72 1uf4 n ARG 147 Ca -0.02 0.43 0.15 0.00 -0.92 0.00 0.00 57.85 57.49 1uf4 n ARG 147 Cb 0.19 -1.66 0.86 0.00 0.45 0.00 0.00 32.46 32.30 1uf4 n ARG 147 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1uf4 n TYR 148 N -4.21 0.00 -3.91 -0.14 0.53 -1.03 -4.85 117.16 103.55 1uf4 n TYR 148 Ca -0.39 0.00 -0.10 0.00 -1.02 0.00 0.00 57.90 56.38 1uf4 n TYR 148 Cb 0.80 -0.09 -0.10 0.00 -1.03 0.00 0.00 39.34 38.92 1uf4 n TYR 148 CO 0.00 0.00 0.00 -0.06 -1.02 0.00 0.00 176.86 175.78 1uf4 s PHE 149 N -2.18 0.13 0.16 -0.72 0.40 -0.36 -4.63 117.98 110.78 1uf4 s PHE 149 Ca 0.41 -0.30 0.03 0.00 -0.60 0.00 0.00 56.93 56.48 1uf4 s PHE 149 Cb 0.21 -0.10 -0.04 0.00 0.51 0.00 0.00 43.02 43.61 1uf4 s PHE 149 CO 0.40 -0.27 0.26 -1.21 0.70 0.00 0.00 175.22 175.10 1uf4 s GLU 150 N -1.55 3.31 0.19 0.44 2.02 0.19 -4.61 118.70 118.69 1uf4 s GLU 150 Ca -0.14 -0.69 -0.31 0.00 0.02 0.00 0.00 54.97 53.85 1uf4 s GLU 150 Cb -0.08 -2.88 -0.10 0.00 0.10 0.00 0.00 34.13 31.18 1uf4 s GLU 150 CO 0.00 0.50 1.53 -2.14 0.02 0.00 0.00 175.26 175.17 1uf4 s PRO 151 N -3.30 4.23 0.26 0.39 0.02 -1.26 -4.62 135.00 130.71 1uf4 s PRO 151 Ca 0.34 2.34 -0.28 0.00 0.02 0.00 0.00 61.00 63.42 1uf4 s PRO 151 Cb -0.11 -3.14 -0.15 0.00 0.02 0.00 0.00 34.50 31.12 1uf4 s PRO 151 CO 0.27 -0.55 0.82 0.41 -0.33 0.00 0.00 177.00 177.62 1uf4 n GLY 152 N 3.30 -0.82 0.97 0.52 0.00 0.21 -4.91 105.19 104.46 1uf4 n GLY 152 Ca 0.12 0.33 0.08 0.00 0.00 0.00 0.00 46.02 46.54 1uf4 n GLY 152 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1uf4 n ASP 153 N 1.51 3.91 -0.46 1.61 5.75 -1.26 -4.49 116.55 123.12 1uf4 n ASP 153 Ca 0.13 -3.06 0.07 0.00 -0.01 0.00 0.00 54.79 51.91 1uf4 n ASP 153 Cb 0.29 -0.56 0.04 0.00 -1.03 0.00 0.00 41.12 39.86 1uf4 n ASP 153 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1uf4 n LEU 154 N -0.49 1.88 0.00 -2.12 4.77 -1.26 -5.09 117.00 114.68 1uf4 n LEU 154 Ca 0.23 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 1uf4 n LEU 154 Cb 0.93 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.02 1uf4 n LEU 154 CO 0.17 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1uf4 n GLY 155 N 0.84 -0.09 2.92 -0.72 0.00 -1.26 -4.17 105.19 102.70 1uf4 n GLY 155 Ca 0.07 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 1uf4 n GLY 155 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1uf4 n PHE 156 N 0.00 3.60 -1.55 1.61 3.01 -1.26 -4.74 117.46 118.13 1uf4 n PHE 156 Ca 0.00 -4.21 -0.30 0.00 1.01 0.00 0.00 57.45 53.95 1uf4 n PHE 156 Cb 0.00 -0.79 0.07 0.00 -0.01 0.00 0.00 39.48 38.75 1uf4 n PHE 156 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1uf4 s PRO 157 N -1.59 2.44 -0.08 -1.08 0.04 -1.26 -4.47 135.00 128.99 1uf4 s PRO 157 Ca 0.28 0.79 0.02 0.00 0.04 0.00 0.00 61.00 62.12 1uf4 s PRO 157 Cb -0.03 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.58 1uf4 s PRO 157 CO -0.13 -1.41 -0.11 0.08 0.04 0.00 0.00 177.00 175.46 1uf4 s VAL 158 N -3.10 1.13 0.26 -0.36 1.01 -1.26 -4.05 120.40 114.02 1uf4 s VAL 158 Ca 0.60 -0.45 0.11 0.00 0.00 0.00 0.00 61.98 62.24 1uf4 s VAL 158 Cb -0.14 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.14 1uf4 s VAL 158 CO 0.55 0.36 -0.17 -0.31 0.00 0.00 0.00 175.10 175.53 1uf4 s TYR 159 N 0.89 2.38 -0.20 5.22 1.51 0.90 -4.89 117.35 123.17 1uf4 s TYR 159 Ca -0.10 -0.31 -0.21 0.00 -1.01 0.00 0.00 57.07 55.43 1uf4 s TYR 159 Cb -0.15 -1.06 -0.02 0.00 -0.11 0.00 0.00 41.96 40.62 1uf4 s TYR 159 CO 0.01 0.66 0.66 -0.51 -1.11 0.00 0.00 175.55 175.26 1uf4 s ASP 160 N -3.39 6.71 -0.28 2.29 -0.00 -1.26 0.56 116.67 121.30 1uf4 s ASP 160 Ca 0.29 0.87 -0.00 0.00 -0.00 0.00 0.00 52.55 53.70 1uf4 s ASP 160 Cb -0.06 -2.36 0.09 0.00 -0.00 0.00 0.00 42.92 40.58 1uf4 s ASP 160 CO 0.15 -0.31 0.05 -0.69 -0.00 0.00 0.00 175.17 174.38 1uf4 s VAL 161 N 2.03 1.08 -0.85 -1.27 1.01 0.52 -4.90 120.40 118.02 1uf4 s VAL 161 Ca 0.30 -1.31 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 1uf4 s VAL 161 Cb -0.16 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.54 1uf4 s VAL 161 CO 0.10 -0.48 0.63 0.47 0.00 0.00 0.00 175.10 175.83 1uf4 n ASP 162 N 4.79 -5.30 0.00 3.32 8.00 -1.26 -1.74 116.55 124.36 1uf4 n ASP 162 Ca -0.04 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.61 1uf4 n ASP 162 Cb 0.43 -2.32 0.00 0.00 -0.02 0.00 0.00 41.12 39.21 1uf4 n ASP 162 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uf4 n ALA 163 N -2.70 0.00 -3.11 2.24 0.00 -1.26 -4.97 120.51 110.71 1uf4 n ALA 163 Ca -0.25 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 52.95 1uf4 n ALA 163 Cb 0.65 -1.02 -0.16 0.00 0.00 0.00 0.00 19.45 18.93 1uf4 n ALA 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uf4 s ALA 164 N -1.37 1.29 -0.34 0.00 0.00 -0.71 -4.93 121.76 115.69 1uf4 s ALA 164 Ca 0.00 -0.52 -0.23 0.00 0.00 0.00 0.00 51.96 51.20 1uf4 s ALA 164 Cb 0.00 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.64 1uf4 s ALA 164 CO 0.00 0.19 0.80 0.15 0.00 0.00 0.00 175.76 176.90 1uf4 s LYS 165 N 0.27 3.84 -0.03 0.00 1.02 -1.26 -0.36 119.74 123.23 1uf4 s LYS 165 Ca -0.07 0.44 0.07 0.00 0.02 0.00 0.00 55.97 56.43 1uf4 s LYS 165 Cb -0.12 -3.78 -0.02 0.00 -0.52 0.00 0.00 37.83 33.39 1uf4 s LYS 165 CO 0.02 -0.80 -0.24 -1.64 -0.92 0.00 0.00 175.35 171.78 1uf4 s MET 166 N 3.08 2.18 0.26 1.68 -1.94 0.19 0.59 119.30 125.34 1uf4 s MET 166 Ca 0.32 -0.90 0.11 0.00 -1.71 0.00 0.00 55.69 53.52 1uf4 s MET 166 Cb -0.13 -2.09 -0.05 0.00 2.01 0.00 0.00 34.83 34.57 1uf4 s MET 166 CO 0.15 0.56 -0.12 0.20 -0.01 0.00 0.00 175.02 175.81 1uf4 s GLY 167 N -0.62 1.77 0.01 -0.03 0.00 0.76 -0.07 107.32 109.15 1uf4 s GLY 167 Ca 0.10 -1.74 0.07 0.00 0.00 0.00 0.00 44.72 43.15 1uf4 s GLY 167 CO -0.01 -1.81 -0.21 1.06 0.00 0.00 0.00 173.10 172.13 1uf4 s MET 168 N -3.43 1.62 0.11 2.90 -1.94 -1.26 -1.64 119.30 115.66 1uf4 s MET 168 Ca 0.29 -0.84 0.04 0.00 -1.71 0.00 0.00 55.69 53.47 1uf4 s MET 168 Cb -0.06 -1.63 -0.04 0.00 2.01 0.00 0.00 34.83 35.11 1uf4 s MET 168 CO 0.16 0.44 -0.10 -0.59 -0.01 0.00 0.00 175.02 174.92 1uf4 s PHE 169 N -0.62 1.11 -0.14 -0.03 -0.12 -0.70 -4.90 117.98 112.58 1uf4 s PHE 169 Ca 0.08 -0.68 -0.00 0.00 -0.05 0.00 0.00 56.93 56.28 1uf4 s PHE 169 Cb -0.08 -0.60 0.03 0.00 -0.63 0.00 0.00 43.02 41.74 1uf4 s PHE 169 CO 0.00 0.02 -0.07 0.42 -0.05 0.00 0.00 175.22 175.54 1uf4 s ILE 170 N -2.65 1.12 0.00 -4.49 1.01 -1.26 -3.99 121.20 110.94 1uf4 s ILE 170 Ca 0.08 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.24 1uf4 s ILE 170 Cb -0.02 -1.20 0.00 0.00 0.01 0.00 0.00 42.46 41.25 1uf4 s ILE 170 CO 0.00 0.26 0.00 0.00 0.00 0.00 0.00 174.94 175.20 1uf4 n ALA 171 N 4.89 0.00 -0.38 9.38 0.00 0.11 -1.54 120.51 132.98 1uf4 n ALA 171 Ca -0.13 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.63 1uf4 n ALA 171 Cb 0.49 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.56 1uf4 n ALA 171 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1uf4 h ASN 172 N 0.00 0.26 -1.00 0.00 -0.73 -1.87 -0.74 115.58 111.49 1uf4 h ASN 172 Ca 0.00 0.07 0.26 0.00 1.87 0.00 0.00 56.30 58.50 1uf4 h ASN 172 Cb 0.00 0.04 -0.07 0.00 0.27 0.00 0.00 38.32 38.56 1uf4 h ASN 172 CO 0.00 -0.02 0.67 0.44 -0.37 0.00 0.00 177.43 178.16 1uf4 h ASP 173 N 0.19 0.31 0.01 1.15 3.32 -1.52 -0.08 116.42 119.80 1uf4 h ASP 173 Ca 0.67 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.77 1uf4 h ASP 173 Cb 2.12 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.66 1uf4 h ASP 173 CO -0.25 0.08 0.00 0.08 -1.72 0.00 0.00 179.24 177.44 1uf4 h ARG 174 N 0.29 0.00 0.00 3.56 0.11 -1.35 -0.37 114.38 116.61 1uf4 h ARG 174 Ca 0.53 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.61 1uf4 h ARG 174 Cb 1.55 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.63 1uf4 h ARG 174 CO -0.18 0.00 -0.26 0.54 0.10 0.00 0.00 179.97 180.16 1uf4 n ARG 175 N -2.93 0.00 -3.55 0.08 1.74 -0.04 -4.68 116.66 107.28 1uf4 n ARG 175 Ca -0.03 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.65 1uf4 n ARG 175 Cb 0.06 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 29.89 1uf4 n ARG 175 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1uf4 s TRP 176 N -3.00 3.22 0.57 -1.55 0.52 -0.15 -4.96 118.94 113.59 1uf4 s TRP 176 Ca 0.12 -0.50 0.26 0.00 0.02 0.00 0.00 56.10 56.00 1uf4 s TRP 176 Cb 0.18 -2.48 1.60 0.00 -1.15 0.00 0.00 33.47 31.62 1uf4 s TRP 176 CO 0.62 -0.48 2.15 -1.00 0.02 0.00 0.00 176.95 178.26 1uf4 h PRO 177 N 8.49 0.00 -0.73 4.98 0.13 -1.86 -1.80 132.00 141.21 1uf4 h PRO 177 Ca -0.29 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.79 1uf4 h PRO 177 Cb 1.14 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 1uf4 h PRO 177 CO 0.66 0.00 0.29 0.93 -0.23 0.00 0.00 178.00 179.65 1uf4 h GLU 178 N 0.00 1.10 0.08 0.86 3.07 -1.93 -0.04 114.58 117.72 1uf4 h GLU 178 Ca 0.06 -0.20 0.00 0.00 -0.50 0.00 0.00 59.36 58.71 1uf4 h GLU 178 Cb 0.27 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 1uf4 h GLU 178 CO -0.00 0.91 -0.07 0.00 -1.40 0.00 0.00 179.01 178.44 1uf4 h ALA 179 N 1.14 -0.14 -0.30 3.43 0.00 -1.61 -1.23 119.26 120.54 1uf4 h ALA 179 Ca 0.24 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1uf4 h ALA 179 Cb 0.22 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1uf4 h ALA 179 CO -0.02 -0.59 0.17 -1.49 0.00 0.00 0.00 179.25 177.32 1uf4 h TRP 180 N -0.16 0.41 -0.36 0.00 4.06 -1.52 -3.01 115.95 115.37 1uf4 h TRP 180 Ca 0.00 -0.01 0.02 0.00 2.06 0.00 0.00 58.89 60.97 1uf4 h TRP 180 Cb 0.15 -0.13 -0.03 0.00 -1.00 0.00 0.00 29.16 28.15 1uf4 h TRP 180 CO -0.10 0.33 0.18 -0.09 -3.56 0.00 0.00 178.44 175.20 1uf4 h ARG 181 N 0.38 0.37 -0.57 0.49 9.65 -0.80 0.20 114.38 124.09 1uf4 h ARG 181 Ca 0.11 -0.02 0.05 0.00 -1.10 0.00 0.00 59.98 59.02 1uf4 h ARG 181 Cb 0.05 -0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 28.49 1uf4 h ARG 181 CO -0.02 0.24 0.30 0.28 2.80 0.00 0.00 179.97 183.57 1uf4 h VAL 182 N 0.38 0.95 0.00 0.20 2.07 -1.20 0.12 116.25 118.77 1uf4 h VAL 182 Ca 0.15 -0.19 -0.11 0.00 0.82 0.00 0.00 66.70 67.36 1uf4 h VAL 182 Cb 0.05 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1uf4 h VAL 182 CO -0.09 0.10 -0.55 0.24 0.02 0.00 0.00 177.57 177.29 1uf4 h MET 183 N 0.57 0.00 -0.48 1.57 2.86 -1.33 -2.10 114.93 116.01 1uf4 h MET 183 Ca 0.26 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.77 1uf4 h MET 183 Cb 0.16 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 1uf4 h MET 183 CO -0.17 0.55 -0.18 0.78 1.06 0.00 0.00 176.91 178.95 1uf4 h GLY 184 N 1.91 1.02 2.00 8.32 0.00 0.39 -1.86 103.07 114.85 1uf4 h GLY 184 Ca -0.01 -0.86 -0.08 0.00 0.00 0.00 0.00 47.33 46.38 1uf4 h GLY 184 CO 0.07 0.79 -0.40 1.41 0.00 0.00 0.00 176.54 178.41 1uf4 h LEU 185 N 0.82 0.00 -0.20 3.11 3.38 -0.55 -2.01 115.31 119.86 1uf4 h LEU 185 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1uf4 h LEU 185 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1uf4 h LEU 185 CO 0.06 0.40 0.00 0.54 0.09 0.00 0.00 178.44 179.53 1uf4 n ARG 186 N -3.85 1.13 -1.07 1.13 1.74 -0.81 -4.91 116.66 110.02 1uf4 n ARG 186 Ca -0.01 -0.20 -0.02 0.00 -0.77 0.00 0.00 57.85 56.84 1uf4 n ARG 186 Cb 0.46 -1.16 -0.01 0.00 -1.02 0.00 0.00 32.46 30.73 1uf4 n ARG 186 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uf4 n GLY 187 N 0.70 0.56 3.75 -0.13 0.00 -0.76 -4.93 105.19 104.38 1uf4 n GLY 187 Ca 0.07 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 1uf4 n GLY 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uf4 n ALA 188 N 1.04 2.18 -0.05 4.61 0.00 -0.74 -4.83 120.51 122.72 1uf4 n ALA 188 Ca -0.02 0.36 -0.00 0.00 0.00 0.00 0.00 53.44 53.77 1uf4 n ALA 188 Cb 0.08 -2.40 -0.15 0.00 0.00 0.00 0.00 19.45 16.98 1uf4 n ALA 188 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1uf4 n GLU 189 N 1.15 0.82 -4.08 0.00 1.02 0.20 -4.74 120.64 115.01 1uf4 n GLU 189 Ca 0.05 -0.09 -0.17 0.00 -0.02 0.00 0.00 57.16 56.93 1uf4 n GLU 189 Cb 0.37 -1.47 -0.16 0.00 -0.02 0.00 0.00 31.44 30.17 1uf4 n GLU 189 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1uf4 s ILE 190 N -2.87 0.35 -0.24 -3.67 1.01 -0.74 -0.85 121.20 114.20 1uf4 s ILE 190 Ca -0.08 -0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.50 1uf4 s ILE 190 Cb 0.09 -0.37 0.06 0.00 0.01 0.00 0.00 42.46 42.25 1uf4 s ILE 190 CO 0.78 0.15 -0.05 -0.63 0.00 0.00 0.00 174.94 175.20 1uf4 s ILE 191 N 0.57 1.60 0.24 2.92 1.01 -0.02 -0.17 121.20 127.36 1uf4 s ILE 191 Ca -0.06 -1.31 0.04 0.00 0.00 0.00 0.00 60.65 59.32 1uf4 s ILE 191 Cb -0.10 -1.87 -0.05 0.00 0.01 0.00 0.00 42.46 40.45 1uf4 s ILE 191 CO -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 174.94 174.81 1uf4 n GLY 193 N -0.46 -0.20 3.02 0.00 0.00 -0.96 -1.73 105.19 104.87 1uf4 n GLY 193 Ca -0.05 -1.04 -0.27 0.00 0.00 0.00 0.00 46.02 44.67 1uf4 n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uf4 n GLY 194 N -0.35 3.64 3.50 -0.02 0.00 -1.25 -1.26 105.19 109.45 1uf4 n GLY 194 Ca 0.00 -2.34 -0.12 0.00 0.00 0.00 0.00 46.02 43.56 1uf4 n GLY 194 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1uf4 s TYR 195 N -2.51 -0.48 -0.31 1.61 -0.85 0.89 0.09 117.35 115.79 1uf4 s TYR 195 Ca 0.01 0.54 0.01 0.00 -0.52 0.00 0.00 57.07 57.11 1uf4 s TYR 195 Cb -0.00 0.50 0.09 0.00 0.38 0.00 0.00 41.96 42.93 1uf4 s TYR 195 CO 0.01 -0.61 0.05 -0.80 -1.52 0.00 0.00 175.55 172.68 1uf4 s ASN 196 N -2.00 4.29 -0.31 -0.18 0.01 -1.26 -1.85 114.94 113.64 1uf4 s ASN 196 Ca -0.01 -1.76 0.03 0.00 -0.71 0.00 0.00 52.86 50.40 1uf4 s ASN 196 Cb -0.01 -1.22 0.09 0.00 0.41 0.00 0.00 41.25 40.53 1uf4 s ASN 196 CO -0.04 -0.37 0.03 -0.89 -1.51 0.00 0.00 177.10 174.32 1uf4 s THR 197 N 1.30 1.95 0.31 1.60 2.01 -1.26 -4.99 115.64 116.55 1uf4 s THR 197 Ca 0.08 -1.99 -0.29 0.00 0.31 0.00 0.00 61.69 59.80 1uf4 s THR 197 Cb -0.18 -2.38 -0.11 0.00 0.01 0.00 0.00 72.50 69.84 1uf4 s THR 197 CO -0.15 -0.49 1.51 -2.84 -0.69 0.00 0.00 174.62 171.96 1uf4 s PRO 198 N 1.10 4.17 0.00 4.92 0.02 -1.26 0.06 135.00 144.00 1uf4 s PRO 198 Ca 0.07 2.49 0.21 0.00 0.02 0.00 0.00 61.00 63.78 1uf4 s PRO 198 Cb -0.19 -3.03 1.25 0.00 0.02 0.00 0.00 34.50 32.55 1uf4 s PRO 198 CO -0.10 -0.52 1.65 0.25 -0.33 0.00 0.00 177.00 177.94 1uf4 n THR 199 N 1.66 0.00 -4.63 0.99 -2.24 -0.50 -4.61 114.28 104.94 1uf4 n THR 199 Ca 0.05 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.59 1uf4 n THR 199 Cb 0.39 -0.62 -0.16 0.00 -2.10 0.00 0.00 70.33 67.84 1uf4 n THR 199 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1uf4 s HIS 200 N -2.00 1.46 -0.27 4.78 5.65 -1.26 -4.59 115.29 119.05 1uf4 s HIS 200 Ca 0.32 -0.48 0.02 0.00 0.25 0.00 0.00 55.06 55.17 1uf4 s HIS 200 Cb 0.14 -1.03 0.07 0.00 -1.18 0.00 0.00 32.58 30.58 1uf4 s HIS 200 CO 0.24 -0.22 -0.04 1.21 -0.65 0.00 0.00 174.74 175.29 1uf4 s ASN 201 N 0.39 4.28 0.24 9.88 2.47 -1.26 -5.03 114.94 125.92 1uf4 s ASN 201 Ca -0.10 -1.52 -0.05 0.00 0.42 0.00 0.00 52.86 51.61 1uf4 s ASN 201 Cb -0.13 -1.39 0.43 0.00 -1.45 0.00 0.00 41.25 38.71 1uf4 s ASN 201 CO 0.03 -0.27 1.72 -0.65 -3.72 0.00 0.00 177.10 174.21 1uf4 h PRO 202 N 7.82 0.37 0.00 0.43 0.11 -1.98 -0.06 132.00 138.69 1uf4 h PRO 202 Ca -0.15 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.89 1uf4 h PRO 202 Cb 1.04 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1uf4 h PRO 202 CO 0.46 0.24 -0.24 -1.00 -0.21 0.00 0.00 178.00 177.25 1uf4 h PRO 203 N 0.38 0.00 -2.00 1.05 0.13 -2.00 -3.35 132.00 126.21 1uf4 h PRO 203 Ca 0.40 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 65.03 1uf4 h PRO 203 Cb 0.61 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.34 1uf4 h PRO 203 CO -0.42 0.24 -1.19 0.28 -0.23 0.00 0.00 178.00 176.68 1uf4 n VAL 204 N -3.42 -0.24 0.23 1.56 0.31 -0.82 -4.95 118.33 111.00 1uf4 n VAL 204 Ca 0.00 -4.51 0.15 0.00 -0.01 0.00 0.00 64.34 59.96 1uf4 n VAL 204 Cb 0.43 -0.49 0.79 0.00 -0.91 0.00 0.00 33.84 33.65 1uf4 n VAL 204 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1uf4 h PRO 205 N 3.14 0.00 0.00 5.55 0.13 -1.17 -1.96 132.00 137.68 1uf4 h PRO 205 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1uf4 h PRO 205 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1uf4 h PRO 205 CO 0.50 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.27 1uf4 n GLN 206 N -2.53 0.60 -0.01 0.86 0.00 -1.26 -1.83 117.38 113.20 1uf4 n GLN 206 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 57.00 57.01 1uf4 n GLN 206 Cb 0.09 -1.34 0.03 0.00 0.00 0.00 0.00 30.24 29.02 1uf4 n GLN 206 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1uf4 n HIS 207 N -0.84 0.03 -0.15 2.61 8.25 -0.74 -4.75 115.22 119.63 1uf4 n HIS 207 Ca 0.10 -0.05 -0.03 0.00 -0.26 0.00 0.00 57.72 57.47 1uf4 n HIS 207 Cb 0.04 -0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.21 1uf4 n HIS 207 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1uf4 h ASP 208 N 1.08 0.00 0.15 0.41 5.19 -1.53 -0.66 116.42 121.07 1uf4 h ASP 208 Ca 0.00 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1uf4 h ASP 208 Cb 0.27 0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.90 1uf4 h ASP 208 CO 0.00 0.03 0.00 0.00 -3.12 0.00 0.00 179.24 176.15 1uf4 n HIS 209 N -5.11 0.00 0.61 4.55 1.44 -1.26 -1.82 115.22 113.63 1uf4 n HIS 209 Ca 0.05 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.84 1uf4 n HIS 209 Cb 0.23 -0.16 0.08 0.00 0.12 0.00 0.00 29.99 30.26 1uf4 n HIS 209 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1uf4 n LEU 210 N -1.16 2.46 -0.21 2.39 4.77 -0.27 -4.67 117.00 120.31 1uf4 n LEU 210 Ca 0.09 -1.08 -0.01 0.00 -0.03 0.00 0.00 56.01 54.97 1uf4 n LEU 210 Cb 0.09 -0.03 0.06 0.00 -2.33 0.00 0.00 43.42 41.21 1uf4 n LEU 210 CO 0.10 0.46 0.73 0.74 -1.33 0.00 0.00 177.39 178.08 1uf4 h THR 211 N 3.22 0.35 -0.11 -5.08 2.02 -1.24 0.15 112.91 112.22 1uf4 h THR 211 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1uf4 h THR 211 Cb 0.70 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1uf4 h THR 211 CO 0.00 0.00 0.01 -1.28 0.37 0.00 0.00 175.52 174.62 1uf4 h SER 212 N -0.01 0.18 -0.41 4.18 0.87 -1.84 -2.53 113.55 113.99 1uf4 h SER 212 Ca 0.30 -0.28 0.08 0.00 -1.23 0.00 0.00 61.79 60.66 1uf4 h SER 212 Cb 0.47 -0.05 -0.08 0.00 -0.44 0.00 0.00 62.40 62.30 1uf4 h SER 212 CO -0.66 0.42 -0.15 0.15 -0.53 0.00 0.00 176.83 176.06 1uf4 h PHE 213 N -0.06 -0.36 -0.76 2.24 3.57 -1.57 0.56 116.94 120.56 1uf4 h PHE 213 Ca 0.03 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 1uf4 h PHE 213 Cb 0.32 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 1uf4 h PHE 213 CO 0.02 -0.23 0.26 0.45 -2.23 0.00 0.00 178.31 176.58 1uf4 h HIS 214 N -0.07 1.20 0.25 0.41 3.86 -0.75 0.14 115.15 120.19 1uf4 h HIS 214 Ca 0.20 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1uf4 h HIS 214 Cb 0.37 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 28.49 1uf4 h HIS 214 CO -0.40 0.93 -0.12 1.25 0.86 0.00 0.00 177.93 180.45 1uf4 h HIS 215 N 1.12 -0.31 -0.70 2.45 -0.00 -0.98 -2.06 115.15 114.67 1uf4 h HIS 215 Ca 0.25 -0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.57 1uf4 h HIS 215 Cb 0.28 0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 27.76 1uf4 h HIS 215 CO 0.02 0.01 0.27 -0.07 -0.00 0.00 0.00 177.93 178.16 1uf4 h LEU 216 N -0.64 0.96 -0.87 0.26 3.38 -0.85 -2.39 115.31 115.16 1uf4 h LEU 216 Ca -0.03 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.83 1uf4 h LEU 216 Cb 0.46 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 1uf4 h LEU 216 CO 0.06 0.86 0.56 0.25 0.09 0.00 0.00 178.44 180.25 1uf4 h LEU 217 N 1.02 0.92 -0.54 1.67 5.85 -0.68 -1.04 115.31 122.51 1uf4 h LEU 217 Ca 0.23 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 1uf4 h LEU 217 Cb 0.21 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1uf4 h LEU 217 CO -0.02 0.62 0.17 0.28 -0.34 0.00 0.00 178.44 179.16 1uf4 h SER 218 N 1.07 0.79 -0.22 1.25 0.02 -0.89 -1.88 113.55 113.69 1uf4 h SER 218 Ca 0.35 -0.21 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 1uf4 h SER 218 Cb 0.03 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.36 1uf4 h SER 218 CO -0.12 0.78 -0.14 0.24 -1.14 0.00 0.00 176.83 176.45 1uf4 h MET 219 N 0.75 0.48 -0.14 3.45 2.86 -1.07 -2.12 114.93 119.13 1uf4 h MET 219 Ca 0.17 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1uf4 h MET 219 Cb 0.28 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1uf4 h MET 219 CO -0.01 0.78 0.04 1.96 1.06 0.00 0.00 176.91 180.75 1uf4 h GLN 220 N 0.18 0.23 -0.41 1.72 4.20 -1.18 -1.63 115.11 118.21 1uf4 h GLN 220 Ca 0.04 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 1uf4 h GLN 220 Cb 0.66 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 1uf4 h GLN 220 CO 0.04 0.37 0.05 0.00 -0.67 0.00 0.00 178.83 178.62 1uf4 h ALA 221 N 0.85 0.55 0.04 3.87 0.00 -1.42 -1.27 119.26 121.88 1uf4 h ALA 221 Ca 0.05 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.74 1uf4 h ALA 221 Cb 0.24 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1uf4 h ALA 221 CO -0.00 0.29 -0.15 0.78 0.00 0.00 0.00 179.25 180.17 1uf4 h GLY 222 N 0.55 -0.23 0.82 0.00 0.00 -1.34 0.25 103.07 103.12 1uf4 h GLY 222 Ca 0.12 0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.61 1uf4 h GLY 222 CO 0.01 -0.15 -0.37 1.76 0.00 0.00 0.00 176.54 177.79 1uf4 h SER 223 N -0.28 -0.93 -0.30 0.19 0.02 -1.23 -2.56 113.55 108.46 1uf4 h SER 223 Ca 0.04 0.06 0.06 0.00 -0.84 0.00 0.00 61.79 61.11 1uf4 h SER 223 Cb 0.32 0.28 -0.08 0.00 0.14 0.00 0.00 62.40 63.06 1uf4 h SER 223 CO -0.12 -0.56 -0.37 0.22 -1.14 0.00 0.00 176.83 174.85 1uf4 h TYR 224 N -0.89 -1.05 0.00 3.45 3.20 -1.09 0.42 116.97 121.00 1uf4 h TYR 224 Ca -0.07 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1uf4 h TYR 224 Cb 0.73 0.50 -0.00 0.00 1.54 0.00 0.00 36.73 39.50 1uf4 h TYR 224 CO -0.11 -0.42 -0.06 1.96 -1.64 0.00 0.00 178.16 177.89 1uf4 h GLN 225 N -0.34 0.00 -0.11 1.82 4.20 -0.94 -2.52 115.11 117.22 1uf4 h GLN 225 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1uf4 h GLN 225 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1uf4 h GLN 225 CO -0.49 0.06 0.00 0.09 -0.67 0.00 0.00 178.83 177.82 1uf4 n ASN 226 N -3.36 2.19 -3.83 1.46 3.02 -0.88 -4.99 115.26 108.88 1uf4 n ASN 226 Ca -0.02 -1.61 -0.25 0.00 -0.03 0.00 0.00 54.58 52.67 1uf4 n ASN 226 Cb 0.21 -0.07 0.02 0.00 -0.61 0.00 0.00 39.78 39.33 1uf4 n ASN 226 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uf4 n GLY 227 N 0.56 -0.36 3.22 7.41 0.00 0.14 -4.84 105.19 111.33 1uf4 n GLY 227 Ca 0.08 0.15 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 1uf4 n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uf4 s ALA 228 N -3.57 1.49 0.46 4.61 0.00 -0.72 -4.48 121.76 119.54 1uf4 s ALA 228 Ca 0.26 -1.09 -0.21 0.00 0.00 0.00 0.00 51.96 50.92 1uf4 s ALA 228 Cb -0.13 -0.19 -0.09 0.00 0.00 0.00 0.00 23.12 22.71 1uf4 s ALA 228 CO 0.83 0.27 1.02 -1.58 0.00 0.00 0.00 175.76 176.31 1uf4 s TRP 229 N -1.13 3.12 0.06 0.00 0.52 -0.03 -3.59 118.94 117.89 1uf4 s TRP 229 Ca 0.03 1.60 -0.04 0.00 0.02 0.00 0.00 56.10 57.71 1uf4 s TRP 229 Cb -0.10 -3.03 -0.03 0.00 -1.15 0.00 0.00 33.47 29.17 1uf4 s TRP 229 CO 0.03 -0.62 0.05 -1.54 0.02 0.00 0.00 176.95 174.89 1uf4 s SER 230 N -1.95 0.35 -0.13 2.95 1.04 -0.41 -0.84 113.70 114.70 1uf4 s SER 230 Ca 0.64 -0.85 -0.11 0.00 0.48 0.00 0.00 55.95 56.11 1uf4 s SER 230 Cb -0.16 0.25 0.04 0.00 0.10 0.00 0.00 66.02 66.25 1uf4 s SER 230 CO 0.20 -0.63 0.35 0.00 0.98 0.00 0.00 173.24 174.13 1uf4 s ALA 231 N -3.80 -0.86 -0.10 5.32 0.00 -1.04 0.11 121.76 121.39 1uf4 s ALA 231 Ca 0.05 1.03 0.01 0.00 0.00 0.00 0.00 51.96 53.06 1uf4 s ALA 231 Cb 0.06 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.59 1uf4 s ALA 231 CO -0.10 -0.18 -0.11 0.00 0.00 0.00 0.00 175.76 175.37 1uf4 s ALA 232 N 0.36 1.41 -0.26 0.00 0.00 0.29 -2.26 121.76 121.31 1uf4 s ALA 232 Ca -0.01 -0.56 -0.06 0.00 0.00 0.00 0.00 51.96 51.33 1uf4 s ALA 232 Cb -0.03 -0.78 -0.00 0.00 0.00 0.00 0.00 23.12 22.30 1uf4 s ALA 232 CO -0.01 -0.15 0.03 0.00 0.00 0.00 0.00 175.76 175.63 1uf4 s ALA 233 N 1.16 2.99 0.23 0.00 0.00 -0.39 -1.50 121.76 124.26 1uf4 s ALA 233 Ca -0.05 -1.29 0.06 0.00 0.00 0.00 0.00 51.96 50.69 1uf4 s ALA 233 Cb -0.14 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.97 1uf4 s ALA 233 CO -0.03 -0.67 0.20 0.20 0.00 0.00 0.00 175.76 175.46 1uf4 s GLY 234 N 1.51 1.46 -0.29 0.00 0.00 -1.26 -0.08 107.32 108.66 1uf4 s GLY 234 Ca 0.04 -1.35 -0.05 0.00 0.00 0.00 0.00 44.72 43.35 1uf4 s GLY 234 CO 0.01 -1.38 0.05 1.25 0.00 0.00 0.00 173.10 173.02 1uf4 s LYS 235 N -3.69 2.93 0.51 2.90 2.20 -0.77 -1.76 119.74 122.06 1uf4 s LYS 235 Ca 0.33 -0.96 0.01 0.00 -0.36 0.00 0.00 55.97 54.99 1uf4 s LYS 235 Cb -0.08 -3.30 0.01 0.00 -1.51 0.00 0.00 37.83 32.94 1uf4 s LYS 235 CO 0.25 -0.48 0.07 0.00 -0.36 0.00 0.00 175.35 174.83 1uf4 n ALA 236 N 4.81 0.50 0.00 3.13 0.00 0.44 -4.57 120.51 124.82 1uf4 n ALA 236 Ca -0.14 -2.25 0.00 0.00 0.00 0.00 0.00 53.44 51.05 1uf4 n ALA 236 Cb 0.47 1.18 0.00 0.00 0.00 0.00 0.00 19.45 21.09 1uf4 n ALA 236 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uf4 n GLY 237 N -1.10 0.32 3.55 0.00 0.00 -0.88 -1.81 105.19 105.26 1uf4 n GLY 237 Ca -0.18 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.41 1uf4 n GLY 237 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1uf4 s MET 238 N -1.17 3.33 -0.34 1.61 -2.45 -1.26 -0.67 119.30 118.34 1uf4 s MET 238 Ca 0.00 -0.59 -0.10 0.00 -1.25 0.00 0.00 55.69 53.75 1uf4 s MET 238 Cb 0.00 -4.70 0.01 0.00 1.25 0.00 0.00 34.83 31.40 1uf4 s MET 238 CO 0.00 -2.21 0.17 -2.00 1.05 0.00 0.00 175.02 172.03 1uf4 s GLU 239 N 5.48 3.03 -1.44 4.11 2.12 0.82 -4.48 118.70 128.34 1uf4 s GLU 239 Ca 0.41 -0.93 -0.11 0.00 0.36 0.00 0.00 54.97 54.70 1uf4 s GLU 239 Cb -0.05 -3.63 0.04 0.00 0.26 0.00 0.00 34.13 30.75 1uf4 s GLU 239 CO 0.04 -0.57 1.06 0.39 -0.54 0.00 0.00 175.26 175.65 1uf4 n GLU 240 N 4.97 -6.76 -1.00 4.30 -0.58 -1.26 -1.62 120.64 118.70 1uf4 n GLU 240 Ca -0.13 0.74 -0.00 0.00 -0.42 0.00 0.00 57.16 57.35 1uf4 n GLU 240 Cb 0.47 -5.71 -0.00 0.00 -0.57 0.00 0.00 31.44 25.63 1uf4 n GLU 240 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1uf4 n ASN 241 N -2.90 -3.40 -4.20 1.62 3.02 -1.26 -5.02 115.26 103.12 1uf4 n ASN 241 Ca 0.02 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.23 1uf4 n ASN 241 Cb 0.55 -0.90 -0.16 0.00 -0.61 0.00 0.00 39.78 38.66 1uf4 n ASN 241 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uf4 s MET 243 N 1.08 4.27 -0.01 0.00 1.75 -1.26 -0.13 119.30 125.00 1uf4 s MET 243 Ca -0.00 1.38 -0.01 0.00 -1.25 0.00 0.00 55.69 55.81 1uf4 s MET 243 Cb -0.14 -3.64 -0.04 0.00 2.84 0.00 0.00 34.83 33.84 1uf4 s MET 243 CO -0.06 -0.62 0.08 -0.51 -0.65 0.00 0.00 175.02 173.26 1uf4 s LEU 244 N 3.17 3.90 0.27 4.11 1.43 0.15 -1.42 118.68 130.30 1uf4 s LEU 244 Ca 0.45 0.16 -0.29 0.00 -1.03 0.00 0.00 54.13 53.41 1uf4 s LEU 244 Cb -0.16 -2.25 -0.10 0.00 0.03 0.00 0.00 46.19 43.71 1uf4 s LEU 244 CO 0.07 0.28 1.32 -0.22 0.23 0.00 0.00 176.35 178.03 1uf4 s LEU 245 N -1.69 4.43 0.00 1.79 2.96 0.11 -2.08 118.68 124.20 1uf4 s LEU 245 Ca 0.22 2.57 0.00 0.00 -0.22 0.00 0.00 54.13 56.70 1uf4 s LEU 245 Cb -0.12 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 42.94 1uf4 s LEU 245 CO 0.13 -0.53 0.00 0.61 -1.32 0.00 0.00 176.35 175.24 1uf4 n GLY 246 N 1.56 0.51 3.90 7.98 0.00 -1.26 -4.18 105.19 113.69 1uf4 n GLY 246 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1uf4 n GLY 246 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1uf4 n HIS 247 N 0.00 -1.85 -1.91 1.61 8.25 -1.26 -4.84 115.22 115.21 1uf4 n HIS 247 Ca 0.00 0.81 -0.35 0.00 -0.26 0.00 0.00 57.72 57.92 1uf4 n HIS 247 Cb 0.00 -3.91 0.04 0.00 1.12 0.00 0.00 29.99 27.24 1uf4 n HIS 247 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1uf4 s SER 248 N -4.08 5.12 0.21 0.41 0.01 -1.26 -4.77 113.70 109.34 1uf4 s SER 248 Ca 0.19 2.25 -0.17 0.00 1.31 0.00 0.00 55.95 59.53 1uf4 s SER 248 Cb -0.10 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.57 1uf4 s SER 248 CO 0.86 -1.63 0.53 0.00 0.41 0.00 0.00 173.24 173.41 1uf4 s ILE 250 N -3.90 1.05 0.04 0.00 1.01 -0.65 -0.55 121.20 118.20 1uf4 s ILE 250 Ca 0.12 -0.44 0.08 0.00 0.00 0.00 0.00 60.65 60.41 1uf4 s ILE 250 Cb -0.01 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 1uf4 s ILE 250 CO 0.00 0.33 -0.22 -0.69 0.00 0.00 0.00 174.94 174.37 1uf4 s VAL 251 N 0.63 1.78 0.65 2.92 1.01 0.12 -1.03 120.40 126.48 1uf4 s VAL 251 Ca -0.13 -1.22 -0.09 0.00 0.00 0.00 0.00 61.98 60.53 1uf4 s VAL 251 Cb -0.15 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.70 1uf4 s VAL 251 CO 0.03 0.27 1.02 0.00 0.00 0.00 0.00 175.10 176.41 1uf4 s ALA 252 N -0.78 3.06 -1.54 5.51 0.00 0.40 -1.29 121.76 127.12 1uf4 s ALA 252 Ca 0.09 -0.45 0.08 0.00 0.00 0.00 0.00 51.96 51.68 1uf4 s ALA 252 Cb -0.09 -2.87 0.42 0.00 0.00 0.00 0.00 23.12 20.57 1uf4 s ALA 252 CO 0.02 -0.96 1.08 -0.35 0.00 0.00 0.00 175.76 175.55 1uf4 n PRO 253 N -2.82 0.14 0.00 0.00 -0.04 -1.24 -0.53 135.00 130.51 1uf4 n PRO 253 Ca 0.06 0.17 0.12 0.00 -0.04 0.00 0.00 63.50 63.81 1uf4 n PRO 253 Cb 0.57 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.79 1uf4 n PRO 253 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1uf4 n THR 254 N -1.23 0.00 -0.13 0.52 -2.24 -1.26 -3.68 114.28 106.25 1uf4 n THR 254 Ca 0.04 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1uf4 n THR 254 Cb 0.06 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 1uf4 n THR 254 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uf4 n GLY 255 N 1.38 0.90 3.71 3.38 0.00 0.31 -4.60 105.19 110.27 1uf4 n GLY 255 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1uf4 n GLY 255 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uf4 s GLU 256 N -0.65 4.39 -0.28 1.61 2.02 -1.25 -4.58 118.70 119.96 1uf4 s GLU 256 Ca 0.00 1.84 -0.29 0.00 0.02 0.00 0.00 54.97 56.54 1uf4 s GLU 256 Cb 0.00 -3.36 -0.00 0.00 0.10 0.00 0.00 34.13 30.87 1uf4 s GLU 256 CO 0.00 -0.33 1.28 0.42 0.02 0.00 0.00 175.26 176.65 1uf4 s ILE 257 N 1.25 4.19 -0.87 -1.63 1.01 -1.26 -0.46 121.20 123.43 1uf4 s ILE 257 Ca 0.60 1.36 0.22 0.00 0.00 0.00 0.00 60.65 62.83 1uf4 s ILE 257 Cb -0.31 -4.14 -0.21 0.00 0.01 0.00 0.00 42.46 37.81 1uf4 s ILE 257 CO 0.29 -0.41 0.92 1.33 0.00 0.00 0.00 174.94 177.07 1uf4 n VAL 258 N 6.03 0.01 -3.68 2.92 0.24 -0.20 -4.94 118.33 118.71 1uf4 n VAL 258 Ca 0.14 -0.07 -0.14 0.00 -2.04 0.00 0.00 64.34 62.24 1uf4 n VAL 258 Cb 0.46 0.76 -0.09 0.00 -1.47 0.00 0.00 33.84 33.50 1uf4 n VAL 258 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1uf4 s ALA 259 N -3.07 -1.37 -0.13 2.33 0.00 -1.15 -4.94 121.76 113.43 1uf4 s ALA 259 Ca 0.06 1.55 -0.09 0.00 0.00 0.00 0.00 51.96 53.49 1uf4 s ALA 259 Cb 0.16 -0.90 0.05 0.00 0.00 0.00 0.00 23.12 22.43 1uf4 s ALA 259 CO 0.85 -0.26 0.33 -1.17 0.00 0.00 0.00 175.76 175.51 1uf4 s LEU 260 N 0.27 0.37 0.55 0.00 2.96 -1.26 -1.64 118.68 119.93 1uf4 s LEU 260 Ca -0.00 0.70 -0.16 0.00 -0.22 0.00 0.00 54.13 54.45 1uf4 s LEU 260 Cb -0.04 1.09 -0.06 0.00 0.50 0.00 0.00 46.19 47.68 1uf4 s LEU 260 CO 0.01 -0.16 1.01 0.42 -1.32 0.00 0.00 176.35 176.32 1uf4 s THR 261 N 0.89 4.31 0.00 3.68 -4.23 -0.56 -4.97 115.64 114.77 1uf4 s THR 261 Ca -0.06 1.07 0.00 0.00 -1.18 0.00 0.00 61.69 61.52 1uf4 s THR 261 Cb -0.07 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.15 1uf4 s THR 261 CO -0.07 -0.67 0.02 0.35 -0.54 0.00 0.00 174.62 173.71 1uf4 n THR 262 N -1.84 0.00 -3.09 3.99 -2.24 -1.26 -4.16 114.28 105.68 1uf4 n THR 262 Ca 0.07 -0.36 -0.19 0.00 -2.27 0.00 0.00 64.05 61.31 1uf4 n THR 262 Cb 0.54 1.01 0.06 0.00 -2.10 0.00 0.00 70.33 69.84 1uf4 n THR 262 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1uf4 n THR 263 N -0.68 0.00 -1.74 4.28 -2.24 -1.26 -5.00 114.28 107.64 1uf4 n THR 263 Ca 0.00 -1.83 0.05 0.00 -2.27 0.00 0.00 64.05 60.00 1uf4 n THR 263 Cb 0.00 -0.51 0.18 0.00 -2.10 0.00 0.00 70.33 67.90 1uf4 n THR 263 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1uf4 n LEU 264 N 0.00 2.45 0.00 3.22 4.77 -1.26 -4.63 117.00 121.56 1uf4 n LEU 264 Ca 0.14 -3.62 -0.07 0.00 -0.03 0.00 0.00 56.01 52.43 1uf4 n LEU 264 Cb 0.56 -0.44 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 1uf4 n LEU 264 CO 0.36 1.27 -0.05 -0.62 -1.33 0.00 0.00 177.39 177.02 1uf4 n GLU 265 N -0.86 1.31 -1.78 3.23 1.02 -1.26 -3.73 120.64 118.57 1uf4 n GLU 265 Ca 0.17 -0.90 -0.42 0.00 -0.02 0.00 0.00 57.16 55.99 1uf4 n GLU 265 Cb 0.76 0.35 -0.03 0.00 -0.02 0.00 0.00 31.44 32.50 1uf4 n GLU 265 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1uf4 s ASP 266 N -1.67 6.49 -0.13 1.62 1.01 -1.25 -3.81 116.67 118.92 1uf4 s ASP 266 Ca 0.02 2.66 -0.09 0.00 0.71 0.00 0.00 52.55 55.85 1uf4 s ASP 266 Cb 0.00 -2.56 0.04 0.00 1.01 0.00 0.00 42.92 41.42 1uf4 s ASP 266 CO 0.02 -0.97 0.33 -0.70 0.21 0.00 0.00 175.17 174.06 1uf4 s GLU 267 N 2.91 0.34 -0.17 8.23 2.12 0.75 -4.90 118.70 127.98 1uf4 s GLU 267 Ca 0.79 0.59 -0.05 0.00 0.36 0.00 0.00 54.97 56.67 1uf4 s GLU 267 Cb -0.43 0.03 -0.03 0.00 0.26 0.00 0.00 34.13 33.96 1uf4 s GLU 267 CO 0.35 -0.12 -0.01 0.08 -0.54 0.00 0.00 175.26 175.02 1uf4 s VAL 268 N 0.88 4.03 0.14 3.70 1.01 -1.26 0.06 120.40 128.96 1uf4 s VAL 268 Ca -0.06 -0.30 0.09 0.00 0.00 0.00 0.00 61.98 61.71 1uf4 s VAL 268 Cb -0.07 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 1uf4 s VAL 268 CO -0.06 0.47 -0.21 0.27 0.00 0.00 0.00 175.10 175.57 1uf4 s ILE 269 N 0.53 1.87 0.13 2.22 -4.36 -0.88 -4.98 121.20 115.73 1uf4 s ILE 269 Ca -0.02 -1.75 -0.01 0.00 -0.26 0.00 0.00 60.65 58.61 1uf4 s ILE 269 Cb -0.14 -1.77 -0.04 0.00 1.25 0.00 0.00 42.46 41.76 1uf4 s ILE 269 CO 0.02 -0.14 0.04 0.42 0.24 0.00 0.00 174.94 175.52 1uf4 s THR 270 N -1.53 0.18 -0.27 8.37 -4.23 -1.26 -1.34 115.64 115.56 1uf4 s THR 270 Ca 0.12 -1.91 -0.23 0.00 -1.18 0.00 0.00 61.69 58.48 1uf4 s THR 270 Cb -0.08 -2.02 0.08 0.00 1.34 0.00 0.00 72.50 71.82 1uf4 s THR 270 CO 0.06 -0.50 0.75 0.00 -0.54 0.00 0.00 174.62 174.39 1uf4 s ALA 271 N -3.99 -1.82 0.16 3.99 0.00 -0.51 -4.79 121.76 114.80 1uf4 s ALA 271 Ca 0.23 2.08 -0.30 0.00 0.00 0.00 0.00 51.96 53.97 1uf4 s ALA 271 Cb 0.07 -1.25 -0.07 0.00 0.00 0.00 0.00 23.12 21.86 1uf4 s ALA 271 CO 0.01 -0.34 1.14 0.00 0.00 0.00 0.00 175.76 176.58 1uf4 s ALA 272 N 0.58 3.39 -0.15 0.00 0.00 -1.26 -1.60 121.76 122.73 1uf4 s ALA 272 Ca -0.01 0.85 0.02 0.00 0.00 0.00 0.00 51.96 52.82 1uf4 s ALA 272 Cb -0.05 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.70 1uf4 s ALA 272 CO -0.03 -0.29 -0.21 0.08 0.00 0.00 0.00 175.76 175.31 1uf4 s VAL 273 N 0.01 2.13 -0.40 0.00 1.01 0.89 -4.91 120.40 119.13 1uf4 s VAL 273 Ca 0.52 -0.95 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 1uf4 s VAL 273 Cb -0.30 -1.86 0.08 0.00 0.00 0.00 0.00 36.38 34.29 1uf4 s VAL 273 CO 0.35 0.54 0.22 -0.62 0.00 0.00 0.00 175.10 175.59 1uf4 s ASP 274 N 0.88 5.52 0.57 3.32 -1.08 -1.26 -1.45 116.67 123.18 1uf4 s ASP 274 Ca -0.05 -1.50 0.28 0.00 -0.52 0.00 0.00 52.55 50.75 1uf4 s ASP 274 Cb -0.15 -1.94 1.50 0.00 -1.46 0.00 0.00 42.92 40.87 1uf4 s ASP 274 CO -0.03 -0.50 1.98 -0.07 0.52 0.00 0.00 175.17 177.07 1uf4 h LEU 275 N 8.32 0.00 -0.02 -1.34 3.38 -0.79 0.38 115.31 125.25 1uf4 h LEU 275 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1uf4 h LEU 275 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1uf4 h LEU 275 CO 0.72 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.72 1uf4 n ASP 276 N -3.93 0.07 0.02 -0.43 8.00 -1.26 -3.12 116.55 115.90 1uf4 n ASP 276 Ca 0.07 0.51 0.10 0.00 0.71 0.00 0.00 54.79 56.18 1uf4 n ASP 276 Cb 0.57 -0.53 0.54 0.00 -0.02 0.00 0.00 41.12 41.68 1uf4 n ASP 276 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1uf4 h ARG 277 N 0.00 0.30 -1.08 -1.24 9.65 -1.29 -1.71 114.38 119.01 1uf4 h ARG 277 Ca 0.00 -0.02 0.29 0.00 -1.10 0.00 0.00 59.98 59.16 1uf4 h ARG 277 Cb 0.45 -0.07 -0.08 0.00 -1.39 0.00 0.00 29.97 28.88 1uf4 h ARG 277 CO 0.00 0.20 0.73 0.00 2.80 0.00 0.00 179.97 183.70 1uf4 h ARG 279 N 0.24 0.00 -0.20 0.00 3.08 -1.56 -0.74 114.38 115.19 1uf4 h ARG 279 Ca 0.58 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.69 1uf4 h ARG 279 Cb 1.78 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.83 1uf4 h ARG 279 CO -0.20 0.00 0.20 0.93 -1.07 0.00 0.00 179.97 179.83 1uf4 h GLU 280 N 0.00 0.00 0.00 0.04 5.08 -1.32 -1.39 114.58 117.00 1uf4 h GLU 280 Ca 0.03 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.20 1uf4 h GLU 280 Cb 0.14 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1uf4 h GLU 280 CO -0.00 0.00 -1.54 1.28 -1.00 0.00 0.00 179.01 177.75 1uf4 n LEU 281 N -3.93 1.40 0.00 1.33 7.99 -0.82 -4.41 117.00 118.56 1uf4 n LEU 281 Ca 0.02 0.23 0.06 0.00 -0.01 0.00 0.00 56.01 56.31 1uf4 n LEU 281 Cb 0.33 -0.55 0.31 0.00 -0.11 0.00 0.00 43.42 43.40 1uf4 n LEU 281 CO 0.29 0.09 0.60 0.54 -1.51 0.00 0.00 177.39 177.40 1uf4 n ARG 282 N -3.91 0.25 0.00 3.23 5.12 -0.35 -0.59 116.66 120.40 1uf4 n ARG 282 Ca -0.26 0.10 0.00 0.00 -1.93 0.00 0.00 57.85 55.76 1uf4 n ARG 282 Cb 0.61 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.41 1uf4 n ARG 282 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1uf4 n GLU 283 N -1.16 -0.59 0.00 5.56 1.02 -0.53 -4.05 120.64 120.90 1uf4 n GLU 283 Ca 0.07 -0.55 0.00 0.00 -0.02 0.00 0.00 57.16 56.65 1uf4 n GLU 283 Cb 0.07 -0.97 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 1uf4 n GLU 283 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1uf4 n HIS 284 N -0.04 0.00 -0.31 -0.32 8.25 -0.84 -4.74 115.22 117.22 1uf4 n HIS 284 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.59 1uf4 n HIS 284 Cb 0.04 0.00 0.37 0.00 1.12 0.00 0.00 29.99 31.52 1uf4 n HIS 284 CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 1uf4 h ILE 285 N 0.00 0.76 -0.99 1.59 2.10 -1.79 -1.40 117.51 117.79 1uf4 h ILE 285 Ca 0.00 -0.24 -0.61 0.00 1.08 0.00 0.00 64.86 65.09 1uf4 h ILE 285 Cb 0.00 0.01 -0.37 0.00 -1.09 0.00 0.00 36.82 35.37 1uf4 h ILE 285 CO 0.00 0.13 -0.12 0.49 -1.08 0.00 0.00 178.15 177.56 1uf4 n PHE 286 N -4.63 2.99 -2.39 2.19 0.99 0.24 -4.92 117.46 111.93 1uf4 n PHE 286 Ca 0.20 -2.59 -0.38 0.00 -0.00 0.00 0.00 57.45 54.69 1uf4 n PHE 286 Cb 0.55 -0.74 -0.03 0.00 -1.00 0.00 0.00 39.48 38.25 1uf4 n PHE 286 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 1uf4 s ASN 287 N -2.84 6.00 0.15 4.37 3.84 -0.53 -4.22 114.94 121.71 1uf4 s ASN 287 Ca 0.55 -0.85 -0.31 0.00 0.21 0.00 0.00 52.86 52.47 1uf4 s ASN 287 Cb 0.44 -2.56 -0.06 0.00 -0.55 0.00 0.00 41.25 38.52 1uf4 s ASN 287 CO -0.03 -1.94 1.55 -0.26 -2.79 0.00 0.00 177.10 173.63 1uf4 h PHE 288 N 10.74 -1.65 -0.13 0.43 0.05 -1.90 -1.01 116.94 123.48 1uf4 h PHE 288 Ca 0.01 0.09 0.04 0.00 3.82 0.00 0.00 57.97 61.94 1uf4 h PHE 288 Cb 1.04 0.80 -0.01 0.00 2.00 0.00 0.00 35.95 39.78 1uf4 h PHE 288 CO 1.21 -0.45 0.16 0.87 -0.18 0.00 0.00 178.31 179.91 1uf4 h LYS 289 N -0.26 0.00 0.00 1.51 6.56 -1.93 -1.03 116.57 121.42 1uf4 h LYS 289 Ca 0.12 0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.64 1uf4 h LYS 289 Cb 0.55 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.20 1uf4 h LYS 289 CO -0.70 0.00 -1.68 0.94 -2.06 0.00 0.00 179.45 175.95 1uf4 n GLN 290 N -3.76 0.64 -0.02 3.15 7.27 -0.55 -4.72 117.38 119.40 1uf4 n GLN 290 Ca 0.00 -0.02 -0.02 0.00 0.07 0.00 0.00 57.00 57.03 1uf4 n GLN 290 Cb 0.26 -1.65 -0.02 0.00 2.41 0.00 0.00 30.24 31.24 1uf4 n GLN 290 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1uf4 n HIS 291 N -2.53 0.00 -1.55 3.69 8.25 -0.49 -5.06 115.22 117.53 1uf4 n HIS 291 Ca -0.07 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.04 1uf4 n HIS 291 Cb 0.67 -0.16 0.08 0.00 1.12 0.00 0.00 29.99 31.71 1uf4 n HIS 291 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1uf4 s ARG 292 N -2.08 2.28 -0.47 -0.41 0.52 -0.42 -4.99 118.95 113.38 1uf4 s ARG 292 Ca -0.03 1.87 0.08 0.00 -0.52 0.00 0.00 55.73 57.13 1uf4 s ARG 292 Cb 0.01 -1.84 0.28 0.00 0.52 0.00 0.00 34.95 33.93 1uf4 s ARG 292 CO 0.12 -1.75 0.68 1.04 0.02 0.00 0.00 175.30 175.41 1uf4 n GLN 293 N -2.42 1.58 0.30 3.54 1.13 -1.26 -4.97 117.38 115.28 1uf4 n GLN 293 Ca 0.14 -3.85 0.16 0.00 -1.94 0.00 0.00 57.00 51.52 1uf4 n GLN 293 Cb 0.49 -1.72 0.82 0.00 0.11 0.00 0.00 30.24 29.94 1uf4 n GLN 293 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1uf4 h PRO 294 N 3.69 0.00 0.00 -1.09 0.13 -1.98 -0.56 132.00 132.19 1uf4 h PRO 294 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1uf4 h PRO 294 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1uf4 h PRO 294 CO 0.61 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.38 1uf4 n GLN 295 N -3.04 0.04 -0.05 0.86 0.00 -1.26 -1.86 117.38 112.07 1uf4 n GLN 295 Ca -0.01 0.36 0.04 0.00 0.00 0.00 0.00 57.00 57.39 1uf4 n GLN 295 Cb 0.40 -1.59 0.06 0.00 0.00 0.00 0.00 30.24 29.11 1uf4 n GLN 295 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1uf4 n HIS 296 N -1.67 0.13 0.98 2.61 8.25 -0.22 -4.52 115.22 120.78 1uf4 n HIS 296 Ca 0.02 -0.21 0.12 0.00 -0.26 0.00 0.00 57.72 57.39 1uf4 n HIS 296 Cb 0.13 -0.01 0.14 0.00 1.12 0.00 0.00 29.99 31.37 1uf4 n HIS 296 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1uf4 n TYR 297 N 0.31 0.04 -0.33 4.41 4.01 -0.78 -4.65 117.16 120.18 1uf4 n TYR 297 Ca 0.06 -0.02 0.27 0.00 -0.16 0.00 0.00 57.90 58.05 1uf4 n TYR 297 Cb 0.26 0.00 0.51 0.00 -0.31 0.00 0.00 39.34 39.80 1uf4 n TYR 297 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1uf4 h GLY 298 N 4.71 2.02 1.12 2.72 0.00 -1.79 0.49 103.07 112.33 1uf4 h GLY 298 Ca 0.00 -0.08 0.12 0.00 0.00 0.00 0.00 47.33 47.37 1uf4 h GLY 298 CO 0.00 -0.73 0.33 -2.00 0.00 0.00 0.00 176.54 174.14 1uf4 h LEU 299 N 0.01 0.10 -1.39 3.11 5.85 -1.96 -1.34 115.31 119.69 1uf4 h LEU 299 Ca 0.78 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 59.44 1uf4 h LEU 299 Cb 1.98 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.98 1uf4 h LEU 299 CO -0.80 0.06 -0.31 0.40 -0.34 0.00 0.00 178.44 177.45 1uf4 h ILE 300 N 0.11 1.20 -0.01 4.05 2.04 -1.26 -3.03 117.51 120.60 1uf4 h ILE 300 Ca 0.22 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1uf4 h ILE 300 Cb 0.75 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1uf4 h ILE 300 CO -0.02 0.30 -0.46 0.00 0.00 0.00 0.00 178.15 177.96 1uf4 n ALA 301 N -2.47 3.54 -1.79 1.87 0.00 -0.53 -4.97 120.51 116.17 1uf4 n ALA 301 Ca -0.02 -0.61 -0.41 0.00 0.00 0.00 0.00 53.44 52.40 1uf4 n ALA 301 Cb 0.35 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 18.94 1uf4 n ALA 301 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1uf4 s GLU 302 N -2.50 4.45 0.00 0.00 2.02 -1.06 -5.15 118.70 116.46 1uf4 s GLU 302 Ca 0.19 2.07 0.32 0.00 0.02 0.00 0.00 54.97 57.56 1uf4 s GLU 302 Cb 0.18 -3.12 1.88 0.00 0.10 0.00 0.00 34.13 33.17 1uf4 s GLU 302 CO 0.57 -0.06 2.20 1.28 0.02 0.00 0.00 175.26 179.28