#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 -4.20 -4.42 -2.82 1.74 -1.26 -4.76 116.66 100.95 1uf4 n ARG 2 Ca 0.00 0.62 -0.24 0.00 -0.77 0.00 0.00 57.85 57.46 1uf4 n ARG 2 Cb 0.00 -4.90 -0.11 0.00 -1.02 0.00 0.00 32.46 26.43 1uf4 n ARG 2 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1uf4 s GLN 3 N -4.80 1.52 0.22 5.56 -0.21 -1.26 -1.65 119.66 119.05 1uf4 s GLN 3 Ca 0.07 -1.60 -0.23 0.00 0.02 0.00 0.00 55.36 53.62 1uf4 s GLN 3 Cb -0.01 -1.66 0.04 0.00 1.00 0.00 0.00 33.01 32.38 1uf4 s GLN 3 CO 0.53 0.33 0.79 0.00 -2.12 0.00 0.00 175.29 174.83 1uf4 s MET 4 N -3.10 1.54 -0.24 2.91 0.23 -0.35 -5.01 119.30 115.29 1uf4 s MET 4 Ca 0.24 -0.84 -0.01 0.00 -1.03 0.00 0.00 55.69 54.05 1uf4 s MET 4 Cb -0.06 0.54 0.03 0.00 -1.53 0.00 0.00 34.83 33.81 1uf4 s MET 4 CO 0.11 -0.71 -0.07 0.42 -2.03 0.00 0.00 175.02 172.74 1uf4 s ILE 5 N -3.69 2.77 -0.06 3.16 -1.09 -1.26 0.31 121.20 121.35 1uf4 s ILE 5 Ca 0.11 -1.06 -0.12 0.00 -2.23 0.00 0.00 60.65 57.35 1uf4 s ILE 5 Cb -0.04 -2.41 -0.05 0.00 -1.58 0.00 0.00 42.46 38.38 1uf4 s ILE 5 CO 0.04 0.21 0.31 -0.22 -1.23 0.00 0.00 174.94 174.05 1uf4 s LEU 6 N 1.31 4.42 0.16 2.97 2.96 -0.45 -0.33 118.68 129.72 1uf4 s LEU 6 Ca -0.00 0.76 0.08 0.00 -0.22 0.00 0.00 54.13 54.75 1uf4 s LEU 6 Cb -0.17 -2.40 -0.04 0.00 0.50 0.00 0.00 46.19 44.08 1uf4 s LEU 6 CO -0.05 0.33 -0.16 0.00 -1.32 0.00 0.00 176.35 175.14 1uf4 s ALA 7 N -0.89 1.85 -0.07 5.97 0.00 0.20 -1.08 121.76 127.74 1uf4 s ALA 7 Ca 0.20 -1.45 0.03 0.00 0.00 0.00 0.00 51.96 50.74 1uf4 s ALA 7 Cb -0.15 -0.14 0.01 0.00 0.00 0.00 0.00 23.12 22.84 1uf4 s ALA 7 CO 0.09 0.17 -0.16 0.08 0.00 0.00 0.00 175.76 175.95 1uf4 s VAL 8 N -2.21 1.39 -0.64 0.00 1.01 -0.50 -0.59 120.40 118.86 1uf4 s VAL 8 Ca 0.15 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.43 1uf4 s VAL 8 Cb -0.05 -1.24 0.17 0.00 0.00 0.00 0.00 36.38 35.26 1uf4 s VAL 8 CO 0.05 0.41 0.48 -0.83 0.00 0.00 0.00 175.10 175.21 1uf4 s GLY 9 N 0.47 2.49 0.25 4.51 0.00 0.13 -2.03 107.32 113.14 1uf4 s GLY 9 Ca -0.13 -3.21 -0.30 0.00 0.00 0.00 0.00 44.72 41.08 1uf4 s GLY 9 CO 0.05 1.12 1.16 1.62 0.00 0.00 0.00 173.10 177.05 1uf4 s GLN 10 N 0.09 4.55 0.01 2.90 0.74 0.17 -4.22 119.66 123.90 1uf4 s GLN 10 Ca 0.16 1.88 -0.02 0.00 0.05 0.00 0.00 55.36 57.43 1uf4 s GLN 10 Cb -0.19 -3.19 -0.04 0.00 1.10 0.00 0.00 33.01 30.69 1uf4 s GLN 10 CO -0.04 0.06 0.18 -0.65 -0.55 0.00 0.00 175.29 174.29 1uf4 s GLN 11 N -1.05 3.41 0.09 1.67 -0.21 -0.84 -0.88 119.66 121.85 1uf4 s GLN 11 Ca 0.48 -0.37 -0.01 0.00 0.02 0.00 0.00 55.36 55.49 1uf4 s GLN 11 Cb -0.33 -3.06 0.02 0.00 1.00 0.00 0.00 33.01 30.63 1uf4 s GLN 11 CO 0.41 0.66 0.13 0.41 -2.12 0.00 0.00 175.29 174.77 1uf4 n GLY 12 N 0.79 0.27 3.66 3.09 0.00 -1.26 -0.43 105.19 111.32 1uf4 n GLY 12 Ca -0.09 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.70 1uf4 n GLY 12 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1uf4 n PRO 13 N -1.24 0.10 -3.84 1.61 -0.02 -0.51 -4.45 135.00 126.64 1uf4 n PRO 13 Ca 0.02 0.11 -0.29 0.00 -2.02 0.00 0.00 63.50 61.32 1uf4 n PRO 13 Cb 0.07 -2.36 -0.16 0.00 -0.02 0.00 0.00 33.50 31.03 1uf4 n PRO 13 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1uf4 s ILE 14 N -2.18 1.06 0.64 4.25 1.01 -1.26 -5.07 121.20 119.66 1uf4 s ILE 14 Ca 0.71 -0.94 -0.16 0.00 0.00 0.00 0.00 60.65 60.26 1uf4 s ILE 14 Cb -0.28 -1.46 -0.01 0.00 0.01 0.00 0.00 42.46 40.72 1uf4 s ILE 14 CO 0.53 -0.18 1.14 0.00 0.00 0.00 0.00 174.94 176.43 1uf4 s ALA 15 N 1.61 2.47 0.35 9.38 0.00 -1.26 -3.82 121.76 130.49 1uf4 s ALA 15 Ca -0.03 0.69 0.07 0.00 0.00 0.00 0.00 51.96 52.69 1uf4 s ALA 15 Cb -0.18 -3.36 0.76 0.00 0.00 0.00 0.00 23.12 20.34 1uf4 s ALA 15 CO -0.08 -1.26 1.90 -0.09 0.00 0.00 0.00 175.76 176.24 1uf4 h ARG 16 N 0.28 0.73 -0.00 0.00 2.43 -1.98 0.04 114.38 115.88 1uf4 h ARG 16 Ca -0.48 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1uf4 h ARG 16 Cb 1.26 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1uf4 h ARG 16 CO 0.54 0.48 -0.20 0.00 -1.51 0.00 0.00 179.97 179.29 1uf4 n ALA 17 N -2.43 2.84 -2.11 2.80 0.00 -1.26 -4.86 120.51 115.49 1uf4 n ALA 17 Ca 0.15 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 1uf4 n ALA 17 Cb 0.37 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 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 -2.90 4.28 0.53 0.00 2.12 -0.00 -5.00 118.70 117.73 1uf4 s GLU 18 Ca 0.16 2.14 -0.07 0.00 0.36 0.00 0.00 54.97 57.55 1uf4 s GLU 18 Cb 0.19 -3.35 -0.03 0.00 0.26 0.00 0.00 34.13 31.20 1uf4 s GLU 18 CO 0.58 -0.54 0.87 0.95 -0.54 0.00 0.00 175.26 176.58 1uf4 s THR 19 N 1.60 4.67 0.31 -1.70 -4.23 -1.26 -4.88 115.64 110.15 1uf4 s THR 19 Ca 0.67 0.35 0.01 0.00 -1.18 0.00 0.00 61.69 61.54 1uf4 s THR 19 Cb -0.37 -3.80 0.18 0.00 1.34 0.00 0.00 72.50 69.84 1uf4 s THR 19 CO 0.30 -0.87 1.88 0.03 -0.54 0.00 0.00 174.62 175.42 1uf4 h ARG 20 N 0.02 0.74 -0.64 3.99 3.08 -1.95 -0.90 114.38 118.72 1uf4 h ARG 20 Ca -0.46 -0.13 0.03 0.00 0.07 0.00 0.00 59.98 59.49 1uf4 h ARG 20 Cb 1.21 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 31.09 1uf4 h ARG 20 CO 0.62 0.65 0.39 1.05 -1.07 0.00 0.00 179.97 181.61 1uf4 h GLU 21 N 0.73 0.75 -0.46 0.04 9.09 -1.93 1.00 114.58 123.79 1uf4 h GLU 21 Ca 0.17 -0.05 -0.12 0.00 0.05 0.00 0.00 59.36 59.41 1uf4 h GLU 21 Cb 0.22 -0.17 -0.02 0.00 -1.65 0.00 0.00 28.75 27.13 1uf4 h GLU 21 CO -0.01 0.50 -0.18 1.96 0.05 0.00 0.00 179.01 181.32 1uf4 h GLN 22 N 0.77 0.91 -0.55 1.06 4.20 -1.76 -2.76 115.11 116.98 1uf4 h GLN 22 Ca 0.26 -0.36 -0.07 0.00 0.06 0.00 0.00 58.65 58.53 1uf4 h GLN 22 Cb 0.02 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 1uf4 h GLN 22 CO -0.10 1.02 0.05 0.28 -0.67 0.00 0.00 178.83 179.41 1uf4 h VAL 23 N 0.80 1.26 -0.70 -0.54 2.07 -0.54 -2.89 116.25 115.70 1uf4 h VAL 23 Ca 0.11 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1uf4 h VAL 23 Cb 0.73 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1uf4 h VAL 23 CO 0.06 0.37 0.45 0.58 0.02 0.00 0.00 177.57 179.04 1uf4 h VAL 24 N 0.82 1.19 -0.94 2.57 2.07 -0.72 -0.38 116.25 120.86 1uf4 h VAL 24 Ca 0.16 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1uf4 h VAL 24 Cb 0.46 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 1uf4 h VAL 24 CO 0.02 0.19 0.56 0.58 0.02 0.00 0.00 177.57 178.93 1uf4 h VAL 25 N 0.96 1.26 -0.41 2.57 2.07 -1.29 0.37 116.25 121.77 1uf4 h VAL 25 Ca 0.25 -0.58 -0.09 0.00 0.82 0.00 0.00 66.70 67.11 1uf4 h VAL 25 Cb -0.08 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.62 1uf4 h VAL 25 CO -0.05 0.28 -0.09 0.03 0.02 0.00 0.00 177.57 177.75 1uf4 h ARG 26 N 1.30 0.79 -0.52 1.57 3.08 -1.13 -1.48 114.38 117.98 1uf4 h ARG 26 Ca 0.34 -0.30 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 1uf4 h ARG 26 Cb -0.04 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1uf4 h ARG 26 CO -0.06 0.91 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.58 1uf4 h LEU 27 N 0.61 0.98 -0.66 3.04 3.38 -0.52 -2.35 115.31 119.79 1uf4 h LEU 27 Ca 0.11 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1uf4 h LEU 27 Cb 0.61 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1uf4 h LEU 27 CO 0.04 1.09 0.37 -0.07 0.09 0.00 0.00 178.44 179.95 1uf4 h LEU 28 N 0.87 0.82 -0.70 1.67 3.38 -0.15 -1.26 115.31 119.95 1uf4 h LEU 28 Ca 0.14 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1uf4 h LEU 28 Cb 0.66 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1uf4 h LEU 28 CO 0.05 0.67 0.46 -0.78 0.09 0.00 0.00 178.44 178.93 1uf4 h ASP 29 N 0.90 0.80 -0.14 -0.43 3.58 -0.98 -0.63 116.42 119.53 1uf4 h ASP 29 Ca 0.23 -0.02 -0.15 0.00 0.42 0.00 0.00 57.03 57.51 1uf4 h ASP 29 Cb 0.03 -0.20 0.01 0.00 1.72 0.00 0.00 39.33 40.89 1uf4 h ASP 29 CO -0.04 0.58 -0.49 0.24 -2.88 0.00 0.00 179.24 176.65 1uf4 h MET 30 N 0.95 0.59 -0.95 0.28 2.86 -1.24 -1.70 114.93 115.71 1uf4 h MET 30 Ca 0.26 -0.44 0.05 0.00 -2.06 0.00 0.00 59.70 57.51 1uf4 h MET 30 Cb -0.10 0.08 -0.06 0.00 0.06 0.00 0.00 31.60 31.57 1uf4 h MET 30 CO -0.06 1.06 0.61 1.25 1.06 0.00 0.00 176.91 180.83 1uf4 h LEU 31 N 0.23 0.99 -0.23 1.22 6.46 -1.05 0.20 115.31 123.13 1uf4 h LEU 31 Ca -0.02 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.69 1uf4 h LEU 31 Cb 1.12 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.83 1uf4 h LEU 31 CO 0.10 0.65 -0.04 0.74 -0.62 0.00 0.00 178.44 179.28 1uf4 h THR 32 N 1.14 1.28 -0.62 1.05 2.02 -1.07 -1.93 112.91 114.78 1uf4 h THR 32 Ca 0.40 -1.02 0.03 0.00 0.77 0.00 0.00 66.41 66.59 1uf4 h THR 32 Cb 0.10 1.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 1uf4 h THR 32 CO -0.15 0.31 0.39 0.11 0.37 0.00 0.00 175.52 176.55 1uf4 h LYS 33 N 0.17 0.74 -0.30 6.66 1.57 -0.72 -1.19 116.57 123.49 1uf4 h LYS 33 Ca 0.06 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1uf4 h LYS 33 Cb 0.49 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 1uf4 h LYS 33 CO 0.02 0.49 0.09 0.00 -0.57 0.00 0.00 179.45 179.48 1uf4 h ALA 34 N 1.27 0.34 -0.88 3.86 0.00 -0.48 -2.14 119.26 121.23 1uf4 h ALA 34 Ca 0.25 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.21 1uf4 h ALA 34 Cb 0.01 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1uf4 h ALA 34 CO -0.10 -0.31 0.58 0.00 0.00 0.00 0.00 179.25 179.42 1uf4 h ALA 35 N 1.20 1.12 0.00 0.00 0.00 -0.89 0.46 119.26 121.14 1uf4 h ALA 35 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1uf4 h ALA 35 Cb 0.11 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1uf4 h ALA 35 CO -0.15 0.50 0.00 0.66 0.00 0.00 0.00 179.25 180.26 1uf4 h SER 36 N 1.18 0.00 -0.68 0.00 4.64 -0.60 0.64 113.55 118.72 1uf4 h SER 36 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1uf4 h SER 36 Cb -0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1uf4 h SER 36 CO -0.08 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.42 1uf4 n ARG 37 N -3.02 2.76 -0.65 4.77 1.74 0.07 -4.94 116.66 117.40 1uf4 n ARG 37 Ca -0.02 -2.53 0.00 0.00 -0.77 0.00 0.00 57.85 54.53 1uf4 n ARG 37 Cb 0.13 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 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 1.53 0.75 3.76 -0.13 0.00 0.22 -5.04 105.19 106.27 1uf4 n GLY 38 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.64 3.51 -0.87 4.61 0.00 -0.72 -4.42 121.76 121.23 1uf4 s ALA 39 Ca 0.00 1.17 0.17 0.00 0.00 0.00 0.00 51.96 53.29 1uf4 s ALA 39 Cb 0.00 -3.46 -0.16 0.00 0.00 0.00 0.00 23.12 19.50 1uf4 s ALA 39 CO 0.00 -0.55 0.73 0.09 0.00 0.00 0.00 175.76 176.03 1uf4 n ASN 40 N 1.56 0.89 -3.66 0.00 4.13 0.55 -4.37 115.26 114.35 1uf4 n ASN 40 Ca 0.02 -0.94 -0.12 0.00 1.68 0.00 0.00 54.58 55.22 1uf4 n ASN 40 Cb 0.42 0.94 -0.08 0.00 -1.54 0.00 0.00 39.78 39.52 1uf4 n ASN 40 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1uf4 s PHE 41 N -2.50 -0.73 -0.04 3.10 5.36 -1.22 -1.23 117.98 120.72 1uf4 s PHE 41 Ca 0.07 1.70 0.03 0.00 -0.96 0.00 0.00 56.93 57.77 1uf4 s PHE 41 Cb 0.13 0.30 0.00 0.00 -0.34 0.00 0.00 43.02 43.11 1uf4 s PHE 41 CO 0.65 -0.36 -0.12 -1.50 -1.46 0.00 0.00 175.22 172.43 1uf4 s ILE 42 N 0.64 1.08 -0.25 3.12 2.07 -0.38 0.58 121.20 128.06 1uf4 s ILE 42 Ca -0.03 -0.50 -0.14 0.00 -1.41 0.00 0.00 60.65 58.57 1uf4 s ILE 42 Cb -0.05 -0.96 -0.04 0.00 0.13 0.00 0.00 42.46 41.54 1uf4 s ILE 42 CO -0.04 0.33 0.33 -0.69 -1.91 0.00 0.00 174.94 172.96 1uf4 s VAL 43 N 0.27 5.22 0.34 4.00 1.01 0.24 -1.80 120.40 129.69 1uf4 s VAL 43 Ca -0.06 0.51 0.07 0.00 0.00 0.00 0.00 61.98 62.50 1uf4 s VAL 43 Cb -0.11 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 1uf4 s VAL 43 CO 0.02 0.23 0.37 -0.36 0.00 0.00 0.00 175.10 175.36 1uf4 s PHE 44 N 1.65 2.99 1.13 5.22 2.99 -0.24 0.18 117.98 131.89 1uf4 s PHE 44 Ca 0.14 -0.27 -0.15 0.00 0.00 0.00 0.00 56.93 56.64 1uf4 s PHE 44 Cb -0.15 -1.90 0.25 0.00 0.00 0.00 0.00 43.02 41.23 1uf4 s PHE 44 CO 0.08 0.09 1.07 -2.14 -0.00 0.00 0.00 175.22 174.32 1uf4 s PRO 45 N -4.08 -0.65 0.31 0.24 0.02 -1.25 -3.95 135.00 125.64 1uf4 s PRO 45 Ca 0.43 0.34 -0.29 0.00 0.02 0.00 0.00 61.00 61.51 1uf4 s PRO 45 Cb -0.07 -1.63 -0.10 0.00 0.02 0.00 0.00 34.50 32.72 1uf4 s PRO 45 CO 0.29 -3.42 1.13 -2.00 -0.33 0.00 0.00 177.00 172.67 1uf4 s GLU 46 N -5.02 4.52 -1.27 5.54 2.12 -1.26 -2.66 118.70 120.67 1uf4 s GLU 46 Ca 0.68 1.83 -0.29 0.00 0.36 0.00 0.00 54.97 57.55 1uf4 s GLU 46 Cb -0.17 -3.08 0.04 0.00 0.26 0.00 0.00 34.13 31.18 1uf4 s GLU 46 CO 0.58 0.09 0.58 1.28 -0.54 0.00 0.00 175.26 177.25 1uf4 n LEU 47 N 0.94 -0.44 -0.01 2.70 4.77 -1.18 -4.74 117.00 119.04 1uf4 n LEU 47 Ca -0.00 -1.29 0.14 0.00 -0.03 0.00 0.00 56.01 54.83 1uf4 n LEU 47 Cb 0.45 -1.65 0.83 0.00 -2.33 0.00 0.00 43.42 40.73 1uf4 n LEU 47 CO 0.54 0.75 1.04 0.00 -1.33 0.00 0.00 177.39 178.38 1uf4 n ALA 48 N -4.96 2.67 0.87 -1.18 0.00 0.22 -3.72 120.51 114.41 1uf4 n ALA 48 Ca -0.15 -0.18 0.09 0.00 0.00 0.00 0.00 53.44 53.21 1uf4 n ALA 48 Cb 0.59 -1.46 -0.06 0.00 0.00 0.00 0.00 19.45 18.52 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 -0.93 1.33 -4.10 0.00 4.77 -1.26 -4.97 117.00 111.85 1uf4 n LEU 49 Ca 0.21 -0.62 -0.14 0.00 -0.03 0.00 0.00 56.01 55.43 1uf4 n LEU 49 Cb 0.10 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1uf4 n LEU 49 CO 0.16 0.28 0.10 0.42 -1.33 0.00 0.00 177.39 177.02 1uf4 s THR 50 N -2.50 0.00 0.94 -5.08 -4.23 -1.24 -4.50 115.64 99.03 1uf4 s THR 50 Ca 0.11 -1.63 -0.12 0.00 -1.18 0.00 0.00 61.69 58.87 1uf4 s THR 50 Cb 0.15 -2.56 0.16 0.00 1.34 0.00 0.00 72.50 71.58 1uf4 s THR 50 CO 0.64 0.00 1.10 0.28 -0.54 0.00 0.00 174.62 176.09 1uf4 s THR 51 N -3.29 2.34 -1.16 3.99 -1.32 -1.25 -4.85 115.64 110.09 1uf4 s THR 51 Ca 0.31 0.11 -0.20 0.00 -1.21 0.00 0.00 61.69 60.69 1uf4 s THR 51 Cb 0.00 -2.63 0.06 0.00 -1.51 0.00 0.00 72.50 68.42 1uf4 s THR 51 CO 0.19 -0.14 1.60 0.12 -2.21 0.00 0.00 174.62 174.17 1uf4 s PHE 52 N -2.99 2.66 0.22 9.09 5.36 -1.26 -4.84 117.98 126.23 1uf4 s PHE 52 Ca 0.64 -1.25 0.35 0.00 -0.96 0.00 0.00 56.93 55.71 1uf4 s PHE 52 Cb -0.18 -4.73 1.75 0.00 -0.34 0.00 0.00 43.02 39.52 1uf4 s PHE 52 CO 0.57 -1.87 2.07 0.27 -1.46 0.00 0.00 175.22 174.80 1uf4 h PHE 53 N 8.64 0.00 0.00 10.12 -5.15 -1.96 -3.06 116.94 125.53 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 0.94 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.11 1uf4 h PHE 53 CO 1.36 0.00 0.00 -2.30 -2.00 0.00 0.00 178.31 175.37 1uf4 n PRO 54 N -2.85 0.02 0.12 6.09 -0.02 -1.26 -1.59 135.00 135.51 1uf4 n PRO 54 Ca -0.01 0.50 0.13 0.00 -2.02 0.00 0.00 63.50 62.09 1uf4 n PRO 54 Cb 0.15 -1.55 0.43 0.00 -0.02 0.00 0.00 33.50 32.51 1uf4 n PRO 54 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1uf4 n ARG 55 N -1.58 0.25 -4.77 -0.52 1.85 -1.16 -1.00 116.66 109.73 1uf4 n ARG 55 Ca 0.00 0.29 -0.31 0.00 -1.00 0.00 0.00 57.85 56.83 1uf4 n ARG 55 Cb 0.02 -1.84 -0.13 0.00 -1.05 0.00 0.00 32.46 29.46 1uf4 n ARG 55 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1uf4 s TRP 56 N -3.18 2.55 -0.14 2.89 0.51 -0.62 -1.06 118.94 119.89 1uf4 s TRP 56 Ca 0.08 -0.26 -0.24 0.00 -2.12 0.00 0.00 56.10 53.56 1uf4 s TRP 56 Cb 0.11 -1.49 -0.02 0.00 -0.81 0.00 0.00 33.47 31.26 1uf4 s TRP 56 CO 0.53 0.21 0.75 -1.58 -0.51 0.00 0.00 176.95 176.36 1uf4 s HIS 57 N -0.86 3.46 -0.08 -1.98 5.65 -1.26 -4.91 115.29 115.31 1uf4 s HIS 57 Ca 0.14 1.19 -0.02 0.00 0.25 0.00 0.00 55.06 56.62 1uf4 s HIS 57 Cb -0.10 -2.91 -0.03 0.00 -1.18 0.00 0.00 32.58 28.35 1uf4 s HIS 57 CO 0.04 -0.13 0.01 -0.06 -0.65 0.00 0.00 174.74 173.94 1uf4 s PHE 58 N 1.71 3.18 -0.09 3.88 0.40 -1.26 -4.98 117.98 120.83 1uf4 s PHE 58 Ca 0.36 0.21 0.13 0.00 -0.60 0.00 0.00 56.93 57.02 1uf4 s PHE 58 Cb -0.17 -1.79 -0.18 0.00 0.51 0.00 0.00 43.02 41.39 1uf4 s PHE 58 CO 0.14 0.49 0.14 0.25 0.70 0.00 0.00 175.22 176.93 1uf4 n THR 59 N 2.05 0.60 -3.24 0.64 -2.24 -1.26 -4.87 114.28 105.96 1uf4 n THR 59 Ca -0.18 -0.48 -0.43 0.00 -2.27 0.00 0.00 64.05 60.68 1uf4 n THR 59 Cb 0.54 -0.37 -0.07 0.00 -2.10 0.00 0.00 70.33 68.33 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 -4.30 6.22 0.53 3.42 2.15 -1.26 -4.93 116.67 118.50 1uf4 s ASP 60 Ca -0.06 -0.78 0.24 0.00 0.43 0.00 0.00 52.55 52.38 1uf4 s ASP 60 Cb 0.06 -2.26 1.48 0.00 -0.30 0.00 0.00 42.92 41.90 1uf4 s ASP 60 CO 0.56 -0.72 2.13 -0.08 -0.17 0.00 0.00 175.17 176.90 1uf4 h GLU 61 N 8.84 0.00 -0.43 4.34 4.81 -2.00 -1.02 114.58 129.13 1uf4 h GLU 61 Ca -0.27 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 58.84 1uf4 h GLU 61 Cb 1.10 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1uf4 h GLU 61 CO 0.88 0.07 -0.22 0.00 -0.73 0.00 0.00 179.01 179.00 1uf4 h ALA 62 N 1.93 0.79 -0.25 2.92 0.00 -1.99 -1.44 119.26 121.20 1uf4 h ALA 62 Ca -0.00 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.38 1uf4 h ALA 62 Cb 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1uf4 h ALA 62 CO 0.01 0.65 -0.45 1.49 0.00 0.00 0.00 179.25 180.95 1uf4 h GLU 63 N 0.76 0.65 -0.39 0.00 4.81 -1.63 -2.69 114.58 116.08 1uf4 h GLU 63 Ca 0.10 -0.36 -0.06 0.00 -0.13 0.00 0.00 59.36 58.91 1uf4 h GLU 63 Cb 0.77 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 1uf4 h GLU 63 CO 0.06 0.97 -0.00 1.25 -0.73 0.00 0.00 179.01 180.56 1uf4 h LEU 64 N 0.52 0.68 -1.29 1.64 5.85 -1.22 -3.11 115.31 118.38 1uf4 h LEU 64 Ca 0.03 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 1uf4 h LEU 64 Cb 0.99 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 1uf4 h LEU 64 CO 0.09 0.82 0.38 0.44 -0.34 0.00 0.00 178.44 179.84 1uf4 h ASP 65 N 0.52 0.76 -0.71 1.25 3.45 -1.19 -2.58 116.42 117.92 1uf4 h ASP 65 Ca 0.11 -0.04 0.21 0.00 0.43 0.00 0.00 57.03 57.74 1uf4 h ASP 65 Cb 0.48 -0.19 -0.03 0.00 -0.56 0.00 0.00 39.33 39.02 1uf4 h ASP 65 CO 0.02 0.59 0.54 0.77 -1.57 0.00 0.00 179.24 179.59 1uf4 h SER 66 N 0.88 0.00 0.23 6.45 4.64 -1.40 0.34 113.55 124.70 1uf4 h SER 66 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1uf4 h SER 66 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1uf4 h SER 66 CO -0.04 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.41 1uf4 n PHE 67 N -4.20 0.00 -4.07 4.77 3.01 -0.97 -4.85 117.46 111.15 1uf4 n PHE 67 Ca 0.14 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.32 1uf4 n PHE 67 Cb 0.81 -0.12 -0.06 0.00 -0.01 0.00 0.00 39.48 40.09 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 -2.25 3.16 -0.06 1.38 1.51 0.12 -4.54 117.35 116.66 1uf4 s TYR 68 Ca 0.37 0.02 -0.13 0.00 -1.01 0.00 0.00 57.07 56.31 1uf4 s TYR 68 Cb 0.20 -1.55 -0.05 0.00 -0.11 0.00 0.00 41.96 40.45 1uf4 s TYR 68 CO 0.39 0.52 0.34 -1.21 -1.11 0.00 0.00 175.55 174.48 1uf4 s GLU 69 N -2.83 3.93 -0.00 -0.62 0.41 0.95 -4.90 118.70 115.64 1uf4 s GLU 69 Ca 0.30 0.25 0.14 0.00 -0.41 0.00 0.00 54.97 55.25 1uf4 s GLU 69 Cb -0.11 -3.27 -0.15 0.00 -1.78 0.00 0.00 34.13 28.82 1uf4 s GLU 69 CO 0.23 0.57 0.58 0.25 -0.49 0.00 0.00 175.26 176.40 1uf4 n THR 70 N 2.35 0.00 -4.03 3.63 -2.24 -1.26 -2.39 114.28 110.34 1uf4 n THR 70 Ca -0.14 -0.18 -0.11 0.00 -2.27 0.00 0.00 64.05 61.35 1uf4 n THR 70 Cb 0.53 0.99 -0.11 0.00 -2.10 0.00 0.00 70.33 69.63 1uf4 n THR 70 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1uf4 s GLU 71 N -2.31 0.45 -0.29 -0.78 2.02 -1.26 -5.00 118.70 111.53 1uf4 s GLU 71 Ca 0.05 -0.72 0.02 0.00 0.02 0.00 0.00 54.97 54.35 1uf4 s GLU 71 Cb 0.10 -0.13 0.16 0.00 0.10 0.00 0.00 34.13 34.36 1uf4 s GLU 71 CO 0.57 0.01 0.41 1.41 0.02 0.00 0.00 175.26 177.68 1uf4 s MET 72 N -1.59 0.42 0.39 1.61 1.75 -1.26 -3.98 119.30 116.63 1uf4 s MET 72 Ca -0.12 0.15 -0.08 0.00 -1.25 0.00 0.00 55.69 54.40 1uf4 s MET 72 Cb -0.10 -0.29 -0.05 0.00 2.84 0.00 0.00 34.83 37.23 1uf4 s MET 72 CO -0.00 -1.03 0.71 -1.25 -0.65 0.00 0.00 175.02 172.80 1uf4 s PRO 73 N 2.55 3.68 0.38 4.11 0.04 -1.26 -5.09 135.00 139.42 1uf4 s PRO 73 Ca 0.10 0.28 0.06 0.00 0.04 0.00 0.00 61.00 61.47 1uf4 s PRO 73 Cb -0.12 -2.46 0.06 0.00 0.04 0.00 0.00 34.50 32.02 1uf4 s PRO 73 CO -0.30 -0.01 0.48 0.41 0.04 0.00 0.00 177.00 177.62 1uf4 n GLY 74 N -1.43 2.11 0.33 0.56 0.00 -1.26 -4.81 105.19 100.69 1uf4 n GLY 74 Ca 0.01 -2.20 0.05 0.00 0.00 0.00 0.00 46.02 43.88 1uf4 n GLY 74 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1uf4 h PRO 75 N 0.00 0.63 -0.16 1.61 0.11 -2.00 0.11 132.00 132.31 1uf4 h PRO 75 Ca -0.19 -0.04 -0.20 0.00 0.11 0.00 0.00 66.00 65.68 1uf4 h PRO 75 Cb 0.82 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.79 1uf4 h PRO 75 CO 0.27 0.42 -0.72 0.28 -0.21 0.00 0.00 178.00 178.04 1uf4 h VAL 76 N 0.65 1.30 0.00 3.15 2.07 -1.99 -3.29 116.25 118.14 1uf4 h VAL 76 Ca 0.23 -1.97 -0.07 0.00 0.82 0.00 0.00 66.70 65.71 1uf4 h VAL 76 Cb 0.11 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1uf4 h VAL 76 CO -0.06 0.62 -0.96 0.58 0.02 0.00 0.00 177.57 177.76 1uf4 h VAL 77 N 0.48 0.28 -0.85 2.57 2.07 -1.88 -3.38 116.25 115.55 1uf4 h VAL 77 Ca -0.03 -1.50 0.22 0.00 0.82 0.00 0.00 66.70 66.20 1uf4 h VAL 77 Cb 1.33 1.86 -0.14 0.00 -1.52 0.00 0.00 31.29 32.81 1uf4 h VAL 77 CO 0.14 0.16 0.12 -0.09 0.02 0.00 0.00 177.57 177.93 1uf4 h ARG 78 N 0.00 0.14 -0.88 1.57 9.65 -1.05 -0.14 114.38 123.67 1uf4 h ARG 78 Ca -0.06 -0.01 0.22 0.00 -1.10 0.00 0.00 59.98 59.04 1uf4 h ARG 78 Cb 1.25 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 29.75 1uf4 h ARG 78 CO 0.02 0.09 0.60 -1.35 2.80 0.00 0.00 179.97 182.14 1uf4 h PRO 79 N 0.14 0.22 -0.32 0.20 0.11 -1.76 0.18 132.00 130.77 1uf4 h PRO 79 Ca 0.51 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.58 1uf4 h PRO 79 Cb 0.98 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 1uf4 h PRO 79 CO -0.69 0.15 0.12 1.25 -0.21 0.00 0.00 178.00 178.61 1uf4 h LEU 80 N 0.23 0.45 -0.94 2.35 5.85 -1.31 -1.82 115.31 120.12 1uf4 h LEU 80 Ca 0.44 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 1uf4 h LEU 80 Cb 1.37 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.25 1uf4 h LEU 80 CO -0.11 0.50 0.45 -0.26 -0.34 0.00 0.00 178.44 178.69 1uf4 h PHE 81 N 0.36 1.19 -0.54 1.25 -1.00 -1.04 -1.77 116.94 115.40 1uf4 h PHE 81 Ca 0.10 -0.04 -0.04 0.00 2.81 0.00 0.00 57.97 60.81 1uf4 h PHE 81 Cb 0.20 -0.38 -0.02 0.00 3.61 0.00 0.00 35.95 39.36 1uf4 h PHE 81 CO -0.00 0.83 0.19 0.93 -1.61 0.00 0.00 178.31 178.65 1uf4 h GLU 82 N 1.21 0.82 -0.63 1.51 5.08 -1.16 -2.03 114.58 119.38 1uf4 h GLU 82 Ca 0.30 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1uf4 h GLU 82 Cb 0.05 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1uf4 h GLU 82 CO -0.05 0.74 0.28 -0.22 -1.00 0.00 0.00 179.01 178.76 1uf4 h LYS 83 N 0.73 0.92 -0.05 2.33 1.63 -1.00 -0.10 116.57 121.02 1uf4 h LYS 83 Ca 0.18 -0.15 0.04 0.00 -0.85 0.00 0.00 60.65 59.86 1uf4 h LYS 83 Cb 0.25 -0.16 -0.05 0.00 -0.60 0.00 0.00 32.23 31.67 1uf4 h LYS 83 CO -0.01 0.76 -0.24 0.00 -3.45 0.00 0.00 179.45 176.51 1uf4 h ALA 84 N 1.12 -0.28 -0.62 5.00 0.00 -1.02 0.19 119.26 123.64 1uf4 h ALA 84 Ca 0.21 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1uf4 h ALA 84 Cb 0.16 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1uf4 h ALA 84 CO -0.02 -0.72 0.35 0.00 0.00 0.00 0.00 179.25 178.85 1uf4 h ALA 85 N 0.54 0.79 0.56 0.00 0.00 -1.16 0.23 119.26 120.23 1uf4 h ALA 85 Ca 0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1uf4 h ALA 85 Cb 0.45 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1uf4 h ALA 85 CO -0.25 0.30 -0.39 1.49 0.00 0.00 0.00 179.25 180.40 1uf4 h GLU 86 N 0.84 -0.88 -0.00 0.00 4.81 -0.26 -2.89 114.58 116.19 1uf4 h GLU 86 Ca 0.22 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 1uf4 h GLU 86 Cb 0.02 0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1uf4 h GLU 86 CO -0.04 -0.59 -0.01 1.28 -0.73 0.00 0.00 179.01 178.93 1uf4 n LEU 87 N -5.51 0.05 -2.44 1.64 4.77 0.59 -4.94 117.00 111.16 1uf4 n LEU 87 Ca -0.12 0.21 -0.12 0.00 -0.03 0.00 0.00 56.01 55.95 1uf4 n LEU 87 Cb 0.40 -0.23 0.05 0.00 -2.33 0.00 0.00 43.42 41.32 1uf4 n LEU 87 CO 0.33 0.01 0.10 0.61 -1.33 0.00 0.00 177.39 177.10 1uf4 n GLY 88 N 1.24 -0.01 2.72 -0.72 0.00 0.62 -5.01 105.19 104.03 1uf4 n GLY 88 Ca 0.16 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.21 0.16 0.98 -0.61 2.07 -0.10 -4.73 121.20 115.76 1uf4 s ILE 89 Ca 0.12 0.25 -0.16 0.00 -1.41 0.00 0.00 60.65 59.45 1uf4 s ILE 89 Cb -0.05 -0.37 0.20 0.00 0.13 0.00 0.00 42.46 42.37 1uf4 s ILE 89 CO 0.44 0.21 1.27 -0.83 -1.91 0.00 0.00 174.94 174.12 1uf4 s GLY 90 N 2.06 1.72 0.22 1.50 0.00 -0.36 -4.50 107.32 107.95 1uf4 s GLY 90 Ca 0.05 -1.08 -0.21 0.00 0.00 0.00 0.00 44.72 43.48 1uf4 s GLY 90 CO -0.04 -0.32 0.63 -0.11 0.00 0.00 0.00 173.10 173.26 1uf4 s PHE 91 N -3.69 -0.32 -0.24 1.90 -0.12 -0.47 -1.25 117.98 113.79 1uf4 s PHE 91 Ca 0.72 -0.02 0.01 0.00 -0.05 0.00 0.00 56.93 57.59 1uf4 s PHE 91 Cb -0.06 0.59 0.04 0.00 -0.63 0.00 0.00 43.02 42.96 1uf4 s PHE 91 CO 0.53 -1.02 -0.12 1.21 -0.05 0.00 0.00 175.22 175.77 1uf4 s ASN 92 N -2.84 4.08 -0.15 1.98 3.84 -0.74 -1.16 114.94 119.95 1uf4 s ASN 92 Ca 0.07 -1.09 -0.00 0.00 0.21 0.00 0.00 52.86 52.04 1uf4 s ASN 92 Cb -0.03 -1.56 -0.01 0.00 -0.55 0.00 0.00 41.25 39.10 1uf4 s ASN 92 CO -0.03 -0.13 -0.13 -0.22 -2.79 0.00 0.00 177.10 173.80 1uf4 s LEU 93 N 1.20 2.66 -0.08 3.21 2.96 -0.62 -1.08 118.68 126.93 1uf4 s LEU 93 Ca -0.03 -0.38 -0.04 0.00 -0.22 0.00 0.00 54.13 53.46 1uf4 s LEU 93 Cb -0.17 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 1uf4 s LEU 93 CO -0.07 0.12 0.11 -0.83 -1.32 0.00 0.00 176.35 174.36 1uf4 s GLY 94 N 0.59 2.07 0.17 7.98 0.00 -1.09 -1.40 107.32 115.64 1uf4 s GLY 94 Ca -0.08 -0.73 -0.24 0.00 0.00 0.00 0.00 44.72 43.68 1uf4 s GLY 94 CO 0.03 -0.51 0.75 -2.52 0.00 0.00 0.00 173.10 170.85 1uf4 s TYR 95 N -1.06 -0.32 -0.19 1.90 -0.85 -0.26 -0.61 117.35 115.95 1uf4 s TYR 95 Ca 0.17 0.03 -0.24 0.00 -0.52 0.00 0.00 57.07 56.51 1uf4 s TYR 95 Cb -0.12 0.62 -0.02 0.00 0.38 0.00 0.00 41.96 42.82 1uf4 s TYR 95 CO 0.07 -0.92 0.76 0.00 -1.52 0.00 0.00 175.55 173.94 1uf4 s ALA 96 N -3.61 3.55 -0.20 9.51 0.00 -1.26 -1.49 121.76 128.26 1uf4 s ALA 96 Ca 0.07 -0.11 -0.07 0.00 0.00 0.00 0.00 51.96 51.85 1uf4 s ALA 96 Cb -0.03 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 1uf4 s ALA 96 CO -0.03 -0.68 0.06 -2.00 0.00 0.00 0.00 175.76 173.11 1uf4 s GLU 97 N 2.21 3.87 -0.16 0.00 2.12 0.65 -0.03 118.70 127.36 1uf4 s GLU 97 Ca 0.34 -0.39 0.01 0.00 0.36 0.00 0.00 54.97 55.29 1uf4 s GLU 97 Cb -0.16 -3.22 0.01 0.00 0.26 0.00 0.00 34.13 31.01 1uf4 s GLU 97 CO 0.11 0.15 -0.18 -1.17 -0.54 0.00 0.00 175.26 173.63 1uf4 s LEU 98 N 0.70 2.30 -0.06 2.70 2.96 -1.01 0.02 118.68 126.29 1uf4 s LEU 98 Ca 0.03 -0.55 -0.03 0.00 -0.22 0.00 0.00 54.13 53.35 1uf4 s LEU 98 Cb -0.13 -1.52 0.03 0.00 0.50 0.00 0.00 46.19 45.07 1uf4 s LEU 98 CO 0.02 0.06 0.15 0.54 -1.32 0.00 0.00 176.35 175.80 1uf4 s VAL 99 N 0.97 -0.04 -0.27 1.68 0.11 0.67 -4.60 120.40 118.92 1uf4 s VAL 99 Ca -0.03 0.13 -0.15 0.00 -2.93 0.00 0.00 61.98 59.00 1uf4 s VAL 99 Cb -0.15 -0.24 -0.04 0.00 -1.53 0.00 0.00 36.38 34.43 1uf4 s VAL 99 CO -0.04 0.05 0.36 -0.69 -3.33 0.00 0.00 175.10 171.45 1uf4 s VAL 100 N 0.88 5.19 -0.02 2.04 1.01 -1.26 0.63 120.40 128.86 1uf4 s VAL 100 Ca -0.07 0.53 -0.00 0.00 0.00 0.00 0.00 61.98 62.44 1uf4 s VAL 100 Cb -0.09 -3.69 0.03 0.00 0.00 0.00 0.00 36.38 32.64 1uf4 s VAL 100 CO -0.04 0.16 0.03 -1.61 0.00 0.00 0.00 175.10 173.64 1uf4 s GLU 101 N 2.04 -0.03 -1.55 2.72 2.02 -0.16 -4.87 118.70 118.88 1uf4 s GLU 101 Ca 0.14 0.18 -0.13 0.00 0.02 0.00 0.00 54.97 55.18 1uf4 s GLU 101 Cb -0.16 -0.22 0.09 0.00 0.10 0.00 0.00 34.13 33.94 1uf4 s GLU 101 CO 0.10 -0.15 0.91 0.41 0.02 0.00 0.00 175.26 176.55 1uf4 n GLY 102 N 4.08 -0.46 2.28 -1.39 0.00 -1.26 -0.91 105.19 107.53 1uf4 n GLY 102 Ca -0.26 0.18 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.64 0.43 3.37 -0.02 0.00 -1.26 -5.01 105.19 101.04 1uf4 n GLY 103 Ca 0.01 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.78 2.86 -0.73 1.61 1.01 -0.09 -5.06 120.40 118.22 1uf4 s VAL 104 Ca 0.00 -0.75 -0.22 0.00 0.00 0.00 0.00 61.98 61.01 1uf4 s VAL 104 Cb 0.00 -2.16 0.07 0.00 0.00 0.00 0.00 36.38 34.29 1uf4 s VAL 104 CO 0.00 0.54 1.05 -0.54 0.00 0.00 0.00 175.10 176.16 1uf4 s LYS 105 N 0.11 3.22 0.00 2.72 1.02 -1.26 -0.99 119.74 124.56 1uf4 s LYS 105 Ca -0.07 -0.93 -0.25 0.00 0.02 0.00 0.00 55.97 54.74 1uf4 s LYS 105 Cb -0.15 -4.40 -0.05 0.00 -0.52 0.00 0.00 37.83 32.71 1uf4 s LYS 105 CO 0.05 -1.87 0.75 1.03 -0.92 0.00 0.00 175.35 174.39 1uf4 s ARG 106 N 4.08 4.47 -0.20 1.68 0.52 0.20 -4.90 118.95 124.80 1uf4 s ARG 106 Ca 0.27 1.01 0.00 0.00 -0.52 0.00 0.00 55.73 56.49 1uf4 s ARG 106 Cb -0.13 -3.40 0.02 0.00 0.52 0.00 0.00 34.95 31.96 1uf4 s ARG 106 CO 0.06 0.18 -0.15 1.03 0.02 0.00 0.00 175.30 176.45 1uf4 s ARG 107 N 0.32 2.92 0.12 3.54 0.52 -1.26 -0.24 118.95 124.87 1uf4 s ARG 107 Ca 0.39 -0.89 0.10 0.00 -0.52 0.00 0.00 55.73 54.80 1uf4 s ARG 107 Cb -0.19 -2.71 -0.04 0.00 0.52 0.00 0.00 34.95 32.53 1uf4 s ARG 107 CO 0.21 -0.28 -0.24 -0.06 0.02 0.00 0.00 175.30 174.96 1uf4 s PHE 108 N 1.29 2.06 -0.52 -0.53 0.40 0.10 -1.27 117.98 119.52 1uf4 s PHE 108 Ca 0.03 -0.40 -0.18 0.00 -0.60 0.00 0.00 56.93 55.78 1uf4 s PHE 108 Cb -0.14 -1.12 0.07 0.00 0.51 0.00 0.00 43.02 42.34 1uf4 s PHE 108 CO -0.10 0.28 0.59 1.21 0.70 0.00 0.00 175.22 177.91 1uf4 s ASN 109 N -2.03 6.20 0.31 1.36 3.84 -1.26 -0.25 114.94 123.11 1uf4 s ASN 109 Ca 0.11 -1.15 0.09 0.00 0.21 0.00 0.00 52.86 52.11 1uf4 s ASN 109 Cb -0.10 -2.27 -0.04 0.00 -0.55 0.00 0.00 41.25 38.29 1uf4 s ASN 109 CO 0.05 -0.90 0.10 -0.89 -2.79 0.00 0.00 177.10 172.68 1uf4 s THR 110 N 2.41 3.30 -0.11 -5.21 2.01 -0.55 -0.36 115.64 117.12 1uf4 s THR 110 Ca 0.12 -1.74 -0.13 0.00 0.31 0.00 0.00 61.69 60.25 1uf4 s THR 110 Cb -0.22 -2.97 0.03 0.00 0.01 0.00 0.00 72.50 69.35 1uf4 s THR 110 CO 0.09 -0.26 0.35 -0.94 -0.69 0.00 0.00 174.62 173.17 1uf4 s SER 111 N -3.79 -0.34 0.09 3.53 1.04 -0.62 -1.11 113.70 112.50 1uf4 s SER 111 Ca 0.35 0.62 0.05 0.00 0.48 0.00 0.00 55.95 57.45 1uf4 s SER 111 Cb -0.04 0.66 -0.03 0.00 0.10 0.00 0.00 66.02 66.70 1uf4 s SER 111 CO 0.22 -0.17 -0.13 0.27 0.98 0.00 0.00 173.24 174.41 1uf4 s ILE 112 N -0.04 1.09 -0.18 -1.02 -4.36 -0.50 -1.31 121.20 114.88 1uf4 s ILE 112 Ca -0.02 -1.50 -0.04 0.00 -0.26 0.00 0.00 60.65 58.83 1uf4 s ILE 112 Cb -0.03 -1.25 -0.02 0.00 1.25 0.00 0.00 42.46 42.41 1uf4 s ILE 112 CO 0.01 -0.38 -0.03 -0.76 0.24 0.00 0.00 174.94 174.02 1uf4 s LEU 113 N -2.12 3.17 -0.11 0.37 1.43 -0.44 -1.58 118.68 119.41 1uf4 s LEU 113 Ca 0.02 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 1uf4 s LEU 113 Cb -0.07 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 1uf4 s LEU 113 CO 0.02 0.10 -0.17 -0.69 0.23 0.00 0.00 176.35 175.84 1uf4 s VAL 114 N 0.75 2.70 1.01 -1.59 1.01 -0.31 0.84 120.40 124.80 1uf4 s VAL 114 Ca -0.01 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 61.00 1uf4 s VAL 114 Cb -0.14 -2.09 0.22 0.00 0.00 0.00 0.00 36.38 34.36 1uf4 s VAL 114 CO 0.02 0.54 1.29 1.51 0.00 0.00 0.00 175.10 178.46 1uf4 s ASP 115 N 0.22 2.67 0.00 3.32 1.47 -0.13 -1.37 116.67 122.85 1uf4 s ASP 115 Ca -0.11 0.31 0.00 0.00 1.18 0.00 0.00 52.55 53.93 1uf4 s ASP 115 Cb -0.16 -0.38 0.00 0.00 -0.34 0.00 0.00 42.92 42.04 1uf4 s ASP 115 CO 0.06 -3.02 0.47 2.29 0.68 0.00 0.00 175.17 175.65 1uf4 n LYS 116 N -3.96 0.53 0.00 2.11 2.85 -1.26 -1.43 118.16 117.00 1uf4 n LYS 116 Ca 0.15 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.46 1uf4 n LYS 116 Cb 0.59 -1.07 0.02 0.00 -0.65 0.00 0.00 35.03 33.93 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 -0.32 1.54 0.00 -5.58 7.64 -1.26 -4.06 113.62 111.59 1uf4 n SER 117 Ca 0.00 -1.27 0.00 0.00 1.01 0.00 0.00 58.87 58.61 1uf4 n SER 117 Cb 0.03 0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 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 0.73 0.73 3.76 0.23 0.00 -0.51 -4.51 105.19 105.62 1uf4 n GLY 118 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1uf4 n GLY 118 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1uf4 s LYS 119 N -0.36 4.14 -0.19 1.61 2.20 -1.26 -4.86 119.74 121.02 1uf4 s LYS 119 Ca 0.00 0.21 -0.29 0.00 -0.36 0.00 0.00 55.97 55.53 1uf4 s LYS 119 Cb 0.00 -3.37 -0.03 0.00 -1.51 0.00 0.00 37.83 32.93 1uf4 s LYS 119 CO 0.00 0.36 1.56 0.42 -0.36 0.00 0.00 175.35 177.33 1uf4 s ILE 120 N 0.06 3.77 -0.08 5.43 1.01 -1.26 -0.95 121.20 129.19 1uf4 s ILE 120 Ca 0.20 0.89 0.14 0.00 0.00 0.00 0.00 60.65 61.88 1uf4 s ILE 120 Cb -0.14 -3.73 -0.22 0.00 0.01 0.00 0.00 42.46 38.38 1uf4 s ILE 120 CO 0.07 -0.25 0.59 0.52 0.00 0.00 0.00 174.94 175.87 1uf4 n VAL 121 N 6.12 1.50 -3.58 2.92 0.31 0.25 -4.95 118.33 120.90 1uf4 n VAL 121 Ca 0.18 -0.79 -0.05 0.00 -0.01 0.00 0.00 64.34 63.66 1uf4 n VAL 121 Cb 0.45 -0.90 -0.02 0.00 -0.91 0.00 0.00 33.84 32.46 1uf4 n VAL 121 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1uf4 s GLY 122 N -5.12 -0.37 0.17 2.92 0.00 -1.16 -4.95 107.32 98.81 1uf4 s GLY 122 Ca -0.05 1.03 0.07 0.00 0.00 0.00 0.00 44.72 45.76 1uf4 s GLY 122 CO 0.82 0.32 -0.14 1.25 0.00 0.00 0.00 173.10 175.36 1uf4 s LYS 123 N -2.86 1.20 -0.07 2.90 2.20 -1.26 -1.32 119.74 120.52 1uf4 s LYS 123 Ca 0.08 -1.47 -0.08 0.00 -0.36 0.00 0.00 55.97 54.14 1uf4 s LYS 123 Cb -0.00 -0.97 0.02 0.00 -1.51 0.00 0.00 37.83 35.37 1uf4 s LYS 123 CO -0.06 0.16 0.22 -0.47 -0.36 0.00 0.00 175.35 174.85 1uf4 s TYR 124 N -2.83 -0.21 -0.15 4.03 5.04 -0.43 -4.89 117.35 117.91 1uf4 s TYR 124 Ca 0.18 0.50 0.01 0.00 -2.44 0.00 0.00 57.07 55.32 1uf4 s TYR 124 Cb -0.01 0.07 0.02 0.00 0.35 0.00 0.00 41.96 42.39 1uf4 s TYR 124 CO 0.04 -0.15 -0.17 1.03 -1.34 0.00 0.00 175.55 174.96 1uf4 s ARG 125 N -0.14 2.59 -0.43 4.97 0.52 -1.26 -1.59 118.95 123.60 1uf4 s ARG 125 Ca -0.03 -0.68 -0.46 0.00 -0.52 0.00 0.00 55.73 54.05 1uf4 s ARG 125 Cb -0.02 -2.25 -0.20 0.00 0.52 0.00 0.00 34.95 33.00 1uf4 s ARG 125 CO 0.01 -0.17 1.55 1.17 0.02 0.00 0.00 175.30 177.88 1uf4 n LYS 126 N 4.54 0.10 -0.05 3.54 4.81 0.51 -3.28 118.16 128.32 1uf4 n LYS 126 Ca -0.19 0.04 -0.13 0.00 -0.87 0.00 0.00 58.31 57.16 1uf4 n LYS 126 Cb 0.50 -1.55 -0.14 0.00 0.02 0.00 0.00 35.03 33.86 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 3.77 1.57 -3.39 3.15 5.41 -1.26 0.27 119.36 128.88 1uf4 n ILE 127 Ca 0.29 -0.76 -0.45 0.00 1.00 0.00 0.00 62.75 62.84 1uf4 n ILE 127 Cb -0.03 -1.07 -0.05 0.00 -0.71 0.00 0.00 39.64 37.79 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 -2.55 3.49 -0.39 1.39 3.76 -1.26 -4.61 115.29 115.12 1uf4 s HIS 128 Ca -0.13 -1.76 -0.24 0.00 -0.15 0.00 0.00 55.06 52.77 1uf4 s HIS 128 Cb 0.07 -3.71 0.01 0.00 1.11 0.00 0.00 32.58 30.06 1uf4 s HIS 128 CO 0.79 -0.99 0.82 -0.51 -0.85 0.00 0.00 174.74 174.00 1uf4 s LEU 129 N 0.88 4.11 0.92 0.89 1.43 -1.26 -4.54 118.68 121.11 1uf4 s LEU 129 Ca 0.10 0.29 -0.14 0.00 -1.03 0.00 0.00 54.13 53.36 1uf4 s LEU 129 Cb -0.21 -3.08 0.18 0.00 0.03 0.00 0.00 46.19 43.11 1uf4 s LEU 129 CO -0.03 -0.82 1.27 -2.16 0.23 0.00 0.00 176.35 174.85 1uf4 s PRO 130 N 3.27 0.88 2.54 1.29 0.04 -1.26 -4.70 135.00 137.05 1uf4 s PRO 130 Ca 0.33 -0.44 0.00 0.00 0.04 0.00 0.00 61.00 60.93 1uf4 s PRO 130 Cb -0.12 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1uf4 s PRO 130 CO 0.19 -2.23 0.00 0.41 0.04 0.00 0.00 177.00 175.41 1uf4 n GLY 131 N -3.62 0.39 3.23 0.56 0.00 -1.26 -3.79 105.19 100.69 1uf4 n GLY 131 Ca 0.15 -1.21 -0.12 0.00 0.00 0.00 0.00 46.02 44.84 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 1.11 -0.17 1.61 -3.43 -0.83 -4.89 115.29 108.69 1uf4 s HIS 132 Ca 0.00 -1.34 0.18 0.00 -0.80 0.00 0.00 55.06 53.11 1uf4 s HIS 132 Cb 0.00 -0.51 -0.26 0.00 -1.43 0.00 0.00 32.58 30.38 1uf4 s HIS 132 CO 0.00 -0.67 0.13 1.17 -2.00 0.00 0.00 174.74 173.38 1uf4 n LYS 133 N -0.28 0.72 -4.75 -0.38 4.81 -1.26 -3.36 118.16 113.66 1uf4 n LYS 133 Ca 0.02 -0.04 -0.31 0.00 -0.87 0.00 0.00 58.31 57.11 1uf4 n LYS 133 Cb 0.66 -1.51 -0.13 0.00 0.02 0.00 0.00 35.03 34.06 1uf4 n LYS 133 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1uf4 s GLU 134 N -2.64 2.15 0.13 1.64 0.41 -1.26 -4.49 118.70 114.64 1uf4 s GLU 134 Ca -0.10 -0.93 -0.35 0.00 -0.41 0.00 0.00 54.97 53.19 1uf4 s GLU 134 Cb 0.07 -2.21 -0.16 0.00 -1.78 0.00 0.00 34.13 30.05 1uf4 s GLU 134 CO 0.83 0.56 1.30 0.98 -0.49 0.00 0.00 175.26 178.44 1uf4 n TYR 135 N 1.75 1.51 -4.12 1.61 9.36 -1.26 -4.96 117.16 121.05 1uf4 n TYR 135 Ca -0.16 0.62 -0.33 0.00 3.32 0.00 0.00 57.90 61.34 1uf4 n TYR 135 Cb 0.52 -2.33 -0.16 0.00 -0.63 0.00 0.00 39.34 36.74 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 0.19 3.05 0.28 2.98 2.02 -1.26 -5.03 118.70 120.93 1uf4 s GLU 136 Ca 0.80 -0.80 -0.02 0.00 0.02 0.00 0.00 54.97 54.96 1uf4 s GLU 136 Cb -0.89 -2.62 0.39 0.00 0.10 0.00 0.00 34.13 31.11 1uf4 s GLU 136 CO 0.48 -0.20 1.85 0.00 0.02 0.00 0.00 175.26 177.42 1uf4 h ALA 137 N 7.93 1.24 0.00 5.21 0.00 -2.02 -2.91 119.26 128.71 1uf4 h ALA 137 Ca -0.45 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1uf4 h ALA 137 Cb 1.15 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1uf4 h ALA 137 CO 0.63 0.55 0.00 2.48 0.00 0.00 0.00 179.25 182.91 1uf4 n TYR 138 N -4.31 0.03 -3.32 0.00 4.11 -1.26 -4.72 117.16 107.70 1uf4 n TYR 138 Ca 0.05 0.01 -0.38 0.00 -0.00 0.00 0.00 57.90 57.58 1uf4 n TYR 138 Cb 0.18 -0.52 -0.06 0.00 -0.00 0.00 0.00 39.34 38.94 1uf4 n TYR 138 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 1uf4 s ARG 139 N -3.01 4.20 0.45 -3.48 0.52 -1.10 -4.96 118.95 111.56 1uf4 s ARG 139 Ca 0.05 0.60 0.28 0.00 -0.52 0.00 0.00 55.73 56.14 1uf4 s ARG 139 Cb 0.07 -3.30 0.84 0.00 0.52 0.00 0.00 34.95 33.08 1uf4 s ARG 139 CO 0.20 0.48 1.78 -1.00 0.02 0.00 0.00 175.30 176.78 1uf4 h PRO 140 N 5.34 0.00 -2.37 3.54 0.13 -1.89 -3.44 132.00 133.31 1uf4 h PRO 140 Ca -0.47 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.58 1uf4 h PRO 140 Cb 1.20 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.11 1uf4 h PRO 140 CO 0.67 0.00 -0.07 -0.59 -0.23 0.00 0.00 178.00 177.79 1uf4 s PHE 141 N -3.39 -0.64 0.90 1.56 -0.12 -1.26 -5.14 117.98 109.89 1uf4 s PHE 141 Ca 0.05 1.53 -0.14 0.00 -0.05 0.00 0.00 56.93 58.32 1uf4 s PHE 141 Cb 0.07 0.24 0.14 0.00 -0.63 0.00 0.00 43.02 42.85 1uf4 s PHE 141 CO 0.59 -0.31 1.22 -0.65 -0.05 0.00 0.00 175.22 176.02 1uf4 s GLN 142 N 0.43 1.19 -0.45 1.99 -1.52 -0.23 -5.00 119.66 116.08 1uf4 s GLN 142 Ca -0.01 -0.06 0.07 0.00 -1.95 0.00 0.00 55.36 53.41 1uf4 s GLN 142 Cb -0.04 -1.88 0.30 0.00 -0.22 0.00 0.00 33.01 31.17 1uf4 s GLN 142 CO -0.01 -2.10 0.94 1.58 -0.25 0.00 0.00 175.29 175.45 1uf4 n HIS 143 N -3.63 -2.27 -0.19 0.91 -0.00 -1.17 -3.82 115.22 105.06 1uf4 n HIS 143 Ca 0.11 -2.44 -0.00 0.00 0.46 0.00 0.00 57.72 55.84 1uf4 n HIS 143 Cb 0.60 1.09 0.00 0.00 -0.12 0.00 0.00 29.99 31.56 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 0.80 4.87 -0.31 0.27 4.77 -0.17 -1.96 117.00 125.27 1uf4 n LEU 144 Ca 0.11 -2.23 -0.02 0.00 -0.03 0.00 0.00 56.01 53.85 1uf4 n LEU 144 Cb 0.66 -1.00 0.10 0.00 -2.33 0.00 0.00 43.42 40.86 1uf4 n LEU 144 CO 0.08 0.91 1.21 -0.33 -1.33 0.00 0.00 177.39 177.93 1uf4 h GLU 145 N 0.80 1.03 0.00 3.23 5.08 -1.72 0.70 114.58 123.69 1uf4 h GLU 145 Ca 0.00 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1uf4 h GLU 145 Cb 1.00 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 1uf4 h GLU 145 CO 0.01 0.68 -0.02 0.87 -1.00 0.00 0.00 179.01 179.54 1uf4 h LYS 146 N 1.06 0.00 0.14 2.33 1.57 -1.65 -0.57 116.57 119.45 1uf4 h LYS 146 Ca 0.33 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.79 1uf4 h LYS 146 Cb -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1uf4 h LYS 146 CO -0.11 0.02 -1.65 -0.09 -0.57 0.00 0.00 179.45 177.05 1uf4 h ARG 147 N 0.00 0.30 -0.01 3.15 2.43 -1.08 -3.39 114.38 115.79 1uf4 h ARG 147 Ca -0.00 -0.51 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1uf4 h ARG 147 Cb 0.09 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1uf4 h ARG 147 CO 0.00 1.24 -0.29 0.66 -1.51 0.00 0.00 179.97 180.08 1uf4 n TYR 148 N -3.73 0.00 -4.06 2.20 0.53 0.04 -4.93 117.16 107.21 1uf4 n TYR 148 Ca -0.26 0.00 -0.07 0.00 -1.02 0.00 0.00 57.90 56.54 1uf4 n TYR 148 Cb 0.99 -0.17 -0.10 0.00 -1.03 0.00 0.00 39.34 39.04 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 -2.62 0.46 0.11 -0.72 0.40 -0.26 -4.69 117.98 110.67 1uf4 s PHE 149 Ca 0.22 -0.98 0.09 0.00 -0.60 0.00 0.00 56.93 55.65 1uf4 s PHE 149 Cb 0.19 -0.34 -0.04 0.00 0.51 0.00 0.00 43.02 43.34 1uf4 s PHE 149 CO 0.56 -0.39 -0.17 -1.83 0.70 0.00 0.00 175.22 174.09 1uf4 s GLU 150 N -3.79 1.85 0.27 0.44 -1.05 -0.40 -4.63 118.70 111.39 1uf4 s GLU 150 Ca 0.06 -1.14 -0.30 0.00 -0.15 0.00 0.00 54.97 53.43 1uf4 s GLU 150 Cb 0.07 -2.15 -0.13 0.00 -0.44 0.00 0.00 34.13 31.47 1uf4 s GLU 150 CO -0.10 0.49 1.28 -2.30 0.95 0.00 0.00 175.26 175.58 1uf4 n PRO 151 N 0.81 1.85 -1.13 -4.83 -0.02 -1.26 -4.69 135.00 125.73 1uf4 n PRO 151 Ca -0.15 0.65 -0.36 0.00 -2.02 0.00 0.00 63.50 61.63 1uf4 n PRO 151 Cb 0.53 -2.22 0.07 0.00 -0.02 0.00 0.00 33.50 31.86 1uf4 n PRO 151 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uf4 n GLY 152 N 1.60 -2.04 0.35 -1.23 0.00 0.14 -4.93 105.19 99.08 1uf4 n GLY 152 Ca 0.10 -0.50 0.08 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.01 1.93 -0.20 1.61 5.75 -1.26 -4.64 116.55 119.73 1uf4 n ASP 153 Ca 0.08 -3.32 0.02 0.00 -0.01 0.00 0.00 54.79 51.56 1uf4 n ASP 153 Cb 0.51 -0.45 0.03 0.00 -1.03 0.00 0.00 41.12 40.18 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 -1.17 1.67 0.00 -2.12 4.77 -1.26 -5.10 117.00 113.79 1uf4 n LEU 154 Ca 0.16 -1.30 0.00 0.00 -0.03 0.00 0.00 56.01 54.84 1uf4 n LEU 154 Cb 0.68 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 1uf4 n LEU 154 CO -0.01 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1uf4 n GLY 155 N 0.14 -0.04 2.96 -0.72 0.00 -1.26 -4.14 105.19 102.13 1uf4 n GLY 155 Ca 0.03 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 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 3.81 -1.49 1.61 3.01 -1.26 -4.75 117.46 118.38 1uf4 n PHE 156 Ca 0.00 -3.98 -0.31 0.00 1.01 0.00 0.00 57.45 54.17 1uf4 n PHE 156 Cb 0.00 -1.00 0.06 0.00 -0.01 0.00 0.00 39.48 38.53 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 -1.75 2.69 -0.10 -1.08 0.04 -1.26 -4.48 135.00 129.07 1uf4 s PRO 157 Ca 0.30 1.08 0.01 0.00 0.04 0.00 0.00 61.00 62.43 1uf4 s PRO 157 Cb -0.02 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.59 1uf4 s PRO 157 CO -0.09 -1.30 -0.11 0.08 0.04 0.00 0.00 177.00 175.63 1uf4 s VAL 158 N -2.90 1.17 0.25 -0.36 1.01 -1.26 -3.90 120.40 114.40 1uf4 s VAL 158 Ca 0.60 -0.42 0.09 0.00 0.00 0.00 0.00 61.98 62.25 1uf4 s VAL 158 Cb -0.16 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 1uf4 s VAL 158 CO 0.53 0.38 -0.03 -0.31 0.00 0.00 0.00 175.10 175.67 1uf4 s TYR 159 N 1.27 2.67 -0.21 5.22 1.51 0.49 -4.89 117.35 123.40 1uf4 s TYR 159 Ca -0.03 -0.22 -0.22 0.00 -1.01 0.00 0.00 57.07 55.58 1uf4 s TYR 159 Cb -0.14 -1.20 -0.02 0.00 -0.11 0.00 0.00 41.96 40.49 1uf4 s TYR 159 CO -0.04 0.61 0.72 -0.51 -1.11 0.00 0.00 175.55 175.21 1uf4 s ASP 160 N -3.49 6.76 -0.27 2.29 -0.00 -1.26 -0.13 116.67 120.58 1uf4 s ASP 160 Ca 0.30 0.93 -0.01 0.00 -0.00 0.00 0.00 52.55 53.77 1uf4 s ASP 160 Cb -0.07 -2.39 0.08 0.00 -0.00 0.00 0.00 42.92 40.55 1uf4 s ASP 160 CO 0.19 -0.36 0.05 -0.69 -0.00 0.00 0.00 175.17 174.35 1uf4 s VAL 161 N 2.24 0.98 -1.30 -1.27 1.01 0.66 -4.82 120.40 117.89 1uf4 s VAL 161 Ca 0.32 -1.19 -0.09 0.00 0.00 0.00 0.00 61.98 61.02 1uf4 s VAL 161 Cb -0.16 -1.57 -0.00 0.00 0.00 0.00 0.00 36.38 34.65 1uf4 s VAL 161 CO 0.10 -0.44 0.57 0.47 0.00 0.00 0.00 175.10 175.80 1uf4 n ASP 162 N 4.84 -2.28 -1.72 3.32 8.00 -1.26 -1.27 116.55 126.18 1uf4 n ASP 162 Ca -0.05 -1.03 -0.17 0.00 0.71 0.00 0.00 54.79 54.24 1uf4 n ASP 162 Cb 0.44 -3.10 -0.04 0.00 -0.02 0.00 0.00 41.12 38.40 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 -4.37 -0.41 -3.60 2.24 0.00 -1.26 -4.99 120.51 108.12 1uf4 n ALA 163 Ca -0.22 0.20 -0.24 0.00 0.00 0.00 0.00 53.44 53.18 1uf4 n ALA 163 Cb 0.65 -1.87 -0.17 0.00 0.00 0.00 0.00 19.45 18.06 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 -2.78 1.15 -0.46 0.00 0.00 -0.40 -5.09 121.76 114.19 1uf4 s ALA 164 Ca 0.00 -0.37 -0.29 0.00 0.00 0.00 0.00 51.96 51.30 1uf4 s ALA 164 Cb 0.00 -0.62 0.03 0.00 0.00 0.00 0.00 23.12 22.53 1uf4 s ALA 164 CO 0.00 -0.04 1.16 0.15 0.00 0.00 0.00 175.76 177.03 1uf4 s LYS 165 N 0.97 3.74 -0.06 0.00 -0.14 -1.26 -0.25 119.74 122.75 1uf4 s LYS 165 Ca -0.09 0.64 0.04 0.00 -1.36 0.00 0.00 55.97 55.20 1uf4 s LYS 165 Cb -0.15 -3.90 -0.02 0.00 -1.68 0.00 0.00 37.83 32.08 1uf4 s LYS 165 CO 0.00 -1.36 -0.17 -1.64 -0.76 0.00 0.00 175.35 171.42 1uf4 s MET 166 N 4.43 2.63 0.20 1.68 -1.94 0.82 -0.03 119.30 127.08 1uf4 s MET 166 Ca 0.49 -0.75 0.10 0.00 -1.71 0.00 0.00 55.69 53.82 1uf4 s MET 166 Cb -0.08 -2.35 -0.04 0.00 2.01 0.00 0.00 34.83 34.37 1uf4 s MET 166 CO 0.30 0.50 -0.15 0.20 -0.01 0.00 0.00 175.02 175.87 1uf4 s GLY 167 N -0.43 1.73 0.04 -0.03 0.00 0.00 -0.38 107.32 108.25 1uf4 s GLY 167 Ca 0.05 -1.59 0.09 0.00 0.00 0.00 0.00 44.72 43.26 1uf4 s GLY 167 CO 0.02 -1.63 -0.25 1.06 0.00 0.00 0.00 173.10 172.30 1uf4 s MET 168 N -2.93 1.77 0.14 2.90 -1.94 -1.25 -1.66 119.30 116.33 1uf4 s MET 168 Ca 0.25 -1.06 0.03 0.00 -1.71 0.00 0.00 55.69 53.19 1uf4 s MET 168 Cb -0.08 -1.91 -0.04 0.00 2.01 0.00 0.00 34.83 34.81 1uf4 s MET 168 CO 0.14 0.50 -0.06 -0.59 -0.01 0.00 0.00 175.02 174.99 1uf4 s PHE 169 N -0.78 1.14 -0.10 -0.03 -0.12 -0.88 -4.88 117.98 112.34 1uf4 s PHE 169 Ca 0.11 -0.88 -0.01 0.00 -0.05 0.00 0.00 56.93 56.10 1uf4 s PHE 169 Cb -0.10 -0.62 0.03 0.00 -0.63 0.00 0.00 43.02 41.70 1uf4 s PHE 169 CO 0.02 -0.07 -0.03 0.42 -0.05 0.00 0.00 175.22 175.51 1uf4 s ILE 170 N -3.50 0.68 0.00 -4.49 1.01 -1.26 -4.13 121.20 109.50 1uf4 s ILE 170 Ca 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.73 1uf4 s ILE 170 Cb 0.04 -0.79 0.00 0.00 0.01 0.00 0.00 42.46 41.73 1uf4 s ILE 170 CO -0.00 0.29 0.00 0.00 0.00 0.00 0.00 174.94 175.23 1uf4 n ALA 171 N 5.05 0.00 -0.19 9.38 0.00 0.79 -1.15 120.51 134.39 1uf4 n ALA 171 Ca -0.10 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.65 1uf4 n ALA 171 Cb 0.50 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.66 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 0.00 -0.99 0.00 -0.73 -1.87 -1.00 115.58 110.99 1uf4 h ASN 172 Ca 0.00 0.00 0.16 0.00 1.87 0.00 0.00 56.30 58.33 1uf4 h ASN 172 Cb 0.00 0.00 -0.09 0.00 0.27 0.00 0.00 38.32 38.50 1uf4 h ASN 172 CO 0.00 0.00 0.62 0.44 -0.37 0.00 0.00 177.43 178.12 1uf4 h ASP 173 N 0.00 0.80 -0.13 1.15 3.32 -1.37 -1.87 116.42 118.31 1uf4 h ASP 173 Ca 0.45 0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.61 1uf4 h ASP 173 Cb 2.00 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 41.46 1uf4 h ASP 173 CO -0.00 0.35 0.29 0.08 -1.72 0.00 0.00 179.24 178.23 1uf4 h ARG 174 N 0.81 0.00 0.00 3.56 0.11 -1.39 0.76 114.38 118.23 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 0.76 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.84 1uf4 h ARG 174 CO -0.31 0.00 -0.07 0.54 0.10 0.00 0.00 179.97 180.23 1uf4 n ARG 175 N -3.30 0.01 -3.56 0.08 1.74 -0.70 -4.68 116.66 106.25 1uf4 n ARG 175 Ca 0.01 0.01 -0.40 0.00 -0.77 0.00 0.00 57.85 56.70 1uf4 n ARG 175 Cb 0.38 -1.51 -0.11 0.00 -1.02 0.00 0.00 32.46 30.20 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 0.53 -1.55 0.52 0.26 -4.96 118.94 113.95 1uf4 s TRP 176 Ca 0.13 -0.22 0.18 0.00 0.02 0.00 0.00 56.10 56.22 1uf4 s TRP 176 Cb 0.19 -2.44 1.32 0.00 -1.15 0.00 0.00 33.47 31.39 1uf4 s TRP 176 CO 0.56 -0.34 2.12 -1.00 0.02 0.00 0.00 176.95 178.31 1uf4 h PRO 177 N 8.45 0.00 -0.88 4.98 0.13 -1.86 -2.14 132.00 140.67 1uf4 h PRO 177 Ca -0.32 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1uf4 h PRO 177 Cb 1.16 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 1uf4 h PRO 177 CO 0.62 0.00 0.53 0.93 -0.23 0.00 0.00 178.00 179.85 1uf4 h GLU 178 N 0.00 1.20 0.08 0.86 3.07 -1.94 0.11 114.58 117.96 1uf4 h GLU 178 Ca 0.05 -0.11 -0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1uf4 h GLU 178 Cb 0.20 -0.25 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1uf4 h GLU 178 CO -0.00 0.84 -0.04 0.00 -1.40 0.00 0.00 179.01 178.41 1uf4 h ALA 179 N 1.29 -0.11 -0.35 3.43 0.00 -1.69 -1.34 119.26 120.49 1uf4 h ALA 179 Ca 0.32 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1uf4 h ALA 179 Cb -0.05 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1uf4 h ALA 179 CO -0.06 -0.50 0.18 -1.49 0.00 0.00 0.00 179.25 177.37 1uf4 h TRP 180 N -0.23 0.32 -0.55 0.00 4.06 -1.47 -2.95 115.95 115.13 1uf4 h TRP 180 Ca -0.01 0.01 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 1uf4 h TRP 180 Cb 0.19 -0.09 -0.02 0.00 -1.00 0.00 0.00 29.16 28.23 1uf4 h TRP 180 CO -0.03 0.17 0.22 -0.09 -3.56 0.00 0.00 178.44 175.15 1uf4 h ARG 181 N 0.36 0.82 -0.31 0.49 9.65 -0.86 0.20 114.38 124.74 1uf4 h ARG 181 Ca 0.15 -0.15 0.04 0.00 -1.10 0.00 0.00 59.98 58.92 1uf4 h ARG 181 Cb 0.06 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 28.47 1uf4 h ARG 181 CO -0.11 0.72 0.06 0.28 2.80 0.00 0.00 179.97 183.72 1uf4 h VAL 182 N 0.75 0.85 -0.06 0.20 2.07 -1.19 0.46 116.25 119.34 1uf4 h VAL 182 Ca 0.18 -0.06 -0.12 0.00 0.82 0.00 0.00 66.70 67.52 1uf4 h VAL 182 Cb 0.20 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1uf4 h VAL 182 CO -0.02 0.03 -0.52 0.24 0.02 0.00 0.00 177.57 177.33 1uf4 h MET 183 N 0.17 0.16 -0.40 1.57 2.86 -1.34 -1.61 114.93 116.34 1uf4 h MET 183 Ca 0.14 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 1uf4 h MET 183 Cb 0.15 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 1uf4 h MET 183 CO -0.19 0.65 0.10 0.78 1.06 0.00 0.00 176.91 179.31 1uf4 h GLY 184 N 1.43 0.68 2.00 8.32 0.00 0.22 -1.63 103.07 114.10 1uf4 h GLY 184 Ca 0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 1uf4 h GLY 184 CO 0.08 0.40 -0.12 1.41 0.00 0.00 0.00 176.54 178.30 1uf4 h LEU 185 N 0.50 0.00 -0.19 3.11 3.38 0.22 0.12 115.31 122.46 1uf4 h LEU 185 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1uf4 h LEU 185 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1uf4 h LEU 185 CO 0.00 0.12 -0.01 0.54 0.09 0.00 0.00 178.44 179.18 1uf4 n ARG 186 N -4.10 1.08 -0.69 1.13 1.74 -0.64 -4.92 116.66 110.27 1uf4 n ARG 186 Ca -0.02 -0.19 0.00 0.00 -0.77 0.00 0.00 57.85 56.87 1uf4 n ARG 186 Cb 0.20 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 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 1.06 0.58 3.71 -0.13 0.00 0.03 -4.98 105.19 105.46 1uf4 n GLY 187 Ca 0.22 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 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 0.07 1.97 -0.08 4.61 0.00 -0.68 -4.83 120.51 121.57 1uf4 n ALA 188 Ca 0.00 0.39 -0.05 0.00 0.00 0.00 0.00 53.44 53.78 1uf4 n ALA 188 Cb 0.00 -2.39 -0.16 0.00 0.00 0.00 0.00 19.45 16.90 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 2.35 0.68 -4.41 0.00 1.02 0.95 -4.73 120.64 116.50 1uf4 n GLU 189 Ca 0.11 -0.04 -0.23 0.00 -0.02 0.00 0.00 57.16 56.98 1uf4 n GLU 189 Cb 0.34 -1.53 -0.17 0.00 -0.02 0.00 0.00 31.44 30.06 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 -2.72 0.96 -0.18 -3.67 1.01 -0.69 -0.65 121.20 115.26 1uf4 s ILE 190 Ca -0.09 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.21 1uf4 s ILE 190 Cb 0.08 -0.90 0.03 0.00 0.01 0.00 0.00 42.46 41.67 1uf4 s ILE 190 CO 0.85 0.32 -0.18 -0.63 0.00 0.00 0.00 174.94 175.30 1uf4 s ILE 191 N 0.82 1.97 0.15 2.92 1.01 -0.35 -0.82 121.20 126.90 1uf4 s ILE 191 Ca -0.12 -0.96 -0.05 0.00 0.00 0.00 0.00 60.65 59.52 1uf4 s ILE 191 Cb -0.15 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.46 1uf4 s ILE 191 CO 0.02 0.45 0.17 0.00 0.00 0.00 0.00 174.94 175.58 1uf4 n GLY 193 N -0.16 -1.24 3.07 0.00 0.00 -0.88 -2.07 105.19 103.90 1uf4 n GLY 193 Ca -0.06 -0.97 -0.27 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.05 3.65 3.51 -0.02 0.00 -1.25 -0.72 105.19 110.31 1uf4 n GLY 194 Ca 0.00 -2.34 -0.09 0.00 0.00 0.00 0.00 46.02 43.60 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 -2.57 -0.35 -0.31 1.61 -0.85 0.36 -0.15 117.35 115.09 1uf4 s TYR 195 Ca 0.01 0.29 -0.00 0.00 -0.52 0.00 0.00 57.07 56.84 1uf4 s TYR 195 Cb 0.00 0.52 0.10 0.00 0.38 0.00 0.00 41.96 42.96 1uf4 s TYR 195 CO 0.01 -0.51 0.09 -0.80 -1.52 0.00 0.00 175.55 172.82 1uf4 s ASN 196 N -2.26 4.11 -0.36 -0.18 0.01 -1.26 -1.04 114.94 113.96 1uf4 s ASN 196 Ca 0.04 -1.70 0.04 0.00 -0.71 0.00 0.00 52.86 50.52 1uf4 s ASN 196 Cb -0.01 -0.95 0.10 0.00 0.41 0.00 0.00 41.25 40.80 1uf4 s ASN 196 CO -0.07 -0.41 0.07 -0.89 -1.51 0.00 0.00 177.10 174.29 1uf4 s THR 197 N 1.53 2.31 0.40 1.60 2.01 -1.26 -4.98 115.64 117.25 1uf4 s THR 197 Ca 0.10 -2.44 -0.27 0.00 0.31 0.00 0.00 61.69 59.39 1uf4 s THR 197 Cb -0.17 -2.70 -0.10 0.00 0.01 0.00 0.00 72.50 69.54 1uf4 s THR 197 CO -0.23 -0.62 1.47 -2.65 -0.69 0.00 0.00 174.62 171.89 1uf4 n PRO 198 N 4.15 2.52 0.00 4.92 -0.02 -1.26 0.37 135.00 145.67 1uf4 n PRO 198 Ca 0.04 0.89 0.12 0.00 -2.02 0.00 0.00 63.50 62.53 1uf4 n PRO 198 Cb 0.41 -2.65 0.71 0.00 -0.02 0.00 0.00 33.50 31.95 1uf4 n PRO 198 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1uf4 n THR 199 N 0.19 0.00 -5.11 3.45 -2.24 -0.72 -4.65 114.28 105.20 1uf4 n THR 199 Ca 0.03 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.50 1uf4 n THR 199 Cb 0.40 -0.44 -0.17 0.00 -2.10 0.00 0.00 70.33 68.02 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 2.28 -0.33 4.78 5.65 -1.26 -4.59 115.29 119.82 1uf4 s HIS 200 Ca 0.36 -0.81 0.03 0.00 0.25 0.00 0.00 55.06 54.89 1uf4 s HIS 200 Cb 0.16 -1.53 0.10 0.00 -1.18 0.00 0.00 32.58 30.14 1uf4 s HIS 200 CO 0.28 -0.30 0.05 1.21 -0.65 0.00 0.00 174.74 175.32 1uf4 s ASN 201 N 0.17 4.64 0.23 9.88 2.47 -1.26 -5.02 114.94 126.05 1uf4 s ASN 201 Ca -0.12 -2.05 -0.11 0.00 0.42 0.00 0.00 52.86 51.00 1uf4 s ASN 201 Cb -0.16 -1.51 0.32 0.00 -1.45 0.00 0.00 41.25 38.46 1uf4 s ASN 201 CO 0.06 -0.38 1.61 -0.65 -3.72 0.00 0.00 177.10 174.02 1uf4 h PRO 202 N 7.69 0.02 -0.43 0.43 0.11 -1.96 -0.37 132.00 137.49 1uf4 h PRO 202 Ca -0.06 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1uf4 h PRO 202 Cb 1.02 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 1uf4 h PRO 202 CO 0.51 0.01 0.29 -1.35 -0.21 0.00 0.00 178.00 177.25 1uf4 h PRO 203 N 0.02 0.57 -2.15 1.05 0.11 -1.96 -3.34 132.00 126.31 1uf4 h PRO 203 Ca 0.36 -0.03 -0.58 0.00 0.11 0.00 0.00 66.00 65.86 1uf4 h PRO 203 Cb 0.57 -0.13 -0.40 0.00 0.11 0.00 0.00 31.00 31.15 1uf4 h PRO 203 CO -0.73 0.38 -0.85 0.28 -0.21 0.00 0.00 178.00 176.87 1uf4 n VAL 204 N -4.78 0.78 0.28 3.15 0.31 -0.88 -4.94 118.33 112.25 1uf4 n VAL 204 Ca 0.01 -4.58 0.18 0.00 -0.01 0.00 0.00 64.34 59.95 1uf4 n VAL 204 Cb 0.02 -2.02 0.97 0.00 -0.91 0.00 0.00 33.84 31.90 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 4.20 0.00 0.00 5.55 0.13 -1.22 -1.86 132.00 138.80 1uf4 h PRO 205 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1uf4 h PRO 205 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1uf4 h PRO 205 CO 0.64 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.41 1uf4 n GLN 206 N -3.49 0.52 0.00 0.86 0.00 -1.26 -1.35 117.38 112.65 1uf4 n GLN 206 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 57.00 57.02 1uf4 n GLN 206 Cb 0.19 -1.27 0.03 0.00 0.00 0.00 0.00 30.24 29.19 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 -0.77 0.00 -0.24 2.61 8.25 -0.70 -4.72 115.22 119.65 1uf4 n HIS 207 Ca 0.07 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.57 1uf4 n HIS 207 Cb 0.03 0.00 0.17 0.00 1.12 0.00 0.00 29.99 31.31 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 1.38 0.21 0.00 0.41 3.32 -1.38 0.62 116.42 120.98 1uf4 h ASP 208 Ca 0.00 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1uf4 h ASP 208 Cb 0.30 0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1uf4 h ASP 208 CO 0.00 0.08 0.00 0.00 -1.72 0.00 0.00 179.24 177.60 1uf4 n HIS 209 N -5.03 0.00 -0.13 4.55 1.44 -1.26 -2.28 115.22 112.51 1uf4 n HIS 209 Ca 0.13 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.87 1uf4 n HIS 209 Cb 0.39 0.00 0.08 0.00 0.12 0.00 0.00 29.99 30.58 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 -0.87 2.50 -0.07 2.39 4.77 0.20 -4.73 117.00 121.19 1uf4 n LEU 210 Ca 0.12 -2.05 -0.08 0.00 -0.03 0.00 0.00 56.01 53.97 1uf4 n LEU 210 Cb 0.06 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.00 1uf4 n LEU 210 CO 0.09 0.62 0.91 0.74 -1.33 0.00 0.00 177.39 178.42 1uf4 h THR 211 N 1.01 0.91 0.22 -5.08 2.02 -1.37 -0.15 112.91 110.47 1uf4 h THR 211 Ca 0.00 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1uf4 h THR 211 Cb 0.65 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1uf4 h THR 211 CO 0.01 0.04 -0.11 -1.28 0.37 0.00 0.00 175.52 174.54 1uf4 h SER 212 N 0.19 -0.26 -0.44 4.18 0.87 -1.85 -2.43 113.55 113.82 1uf4 h SER 212 Ca 0.12 -0.15 0.08 0.00 -1.23 0.00 0.00 61.79 60.61 1uf4 h SER 212 Cb 0.10 0.07 -0.10 0.00 -0.44 0.00 0.00 62.40 62.03 1uf4 h SER 212 CO -0.14 0.01 -0.35 0.15 -0.53 0.00 0.00 176.83 175.97 1uf4 h PHE 213 N -0.52 -0.97 -0.63 2.24 3.57 -1.82 -0.05 116.94 118.75 1uf4 h PHE 213 Ca -0.03 0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1uf4 h PHE 213 Cb 0.39 0.49 -0.03 0.00 2.79 0.00 0.00 35.95 39.59 1uf4 h PHE 213 CO 0.00 -0.39 0.38 0.45 -2.23 0.00 0.00 178.31 176.52 1uf4 h HIS 214 N -0.25 0.82 0.37 0.41 3.86 -1.04 0.32 115.15 119.64 1uf4 h HIS 214 Ca 0.18 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.37 1uf4 h HIS 214 Cb 0.55 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.75 1uf4 h HIS 214 CO -0.57 0.55 -0.18 1.25 0.86 0.00 0.00 177.93 179.84 1uf4 h HIS 215 N 0.87 -0.46 -0.15 2.45 -0.00 -0.73 -2.17 115.15 114.96 1uf4 h HIS 215 Ca 0.23 -0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 60.50 1uf4 h HIS 215 Cb -0.03 0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.51 1uf4 h HIS 215 CO 0.00 -0.15 -0.29 -0.07 -0.00 0.00 0.00 177.93 177.42 1uf4 h LEU 216 N -0.76 0.29 -0.78 0.26 3.38 -0.90 -2.56 115.31 114.23 1uf4 h LEU 216 Ca -0.05 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1uf4 h LEU 216 Cb 0.51 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1uf4 h LEU 216 CO 0.08 0.58 0.48 0.25 0.09 0.00 0.00 178.44 179.92 1uf4 h LEU 217 N 0.25 0.92 -0.66 1.67 5.85 -0.34 -0.65 115.31 122.36 1uf4 h LEU 217 Ca 0.04 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 1uf4 h LEU 217 Cb 0.65 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1uf4 h LEU 217 CO 0.05 0.70 0.02 0.28 -0.34 0.00 0.00 178.44 179.15 1uf4 h SER 218 N 1.06 1.03 -0.16 1.25 0.02 -1.03 -1.63 113.55 114.09 1uf4 h SER 218 Ca 0.28 -0.28 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1uf4 h SER 218 Cb -0.06 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.20 1uf4 h SER 218 CO -0.06 1.07 -0.16 0.24 -1.14 0.00 0.00 176.83 176.79 1uf4 h MET 219 N 0.98 0.39 0.15 3.45 2.86 -1.20 -2.29 114.93 119.26 1uf4 h MET 219 Ca 0.18 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1uf4 h MET 219 Cb 0.53 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.20 1uf4 h MET 219 CO 0.03 0.76 -0.07 1.96 1.06 0.00 0.00 176.91 180.65 1uf4 h GLN 220 N 0.04 -0.19 -0.76 1.72 4.20 -1.09 -1.83 115.11 117.19 1uf4 h GLN 220 Ca 0.03 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1uf4 h GLN 220 Cb 0.69 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.48 1uf4 h GLN 220 CO 0.04 0.05 0.43 0.00 -0.67 0.00 0.00 178.83 178.68 1uf4 h ALA 221 N 0.41 1.32 -0.14 3.87 0.00 -1.40 -1.15 119.26 122.17 1uf4 h ALA 221 Ca -0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1uf4 h ALA 221 Cb 0.32 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1uf4 h ALA 221 CO 0.03 0.56 0.05 0.78 0.00 0.00 0.00 179.25 180.67 1uf4 h GLY 222 N 1.09 0.24 0.93 0.00 0.00 -1.33 -1.47 103.07 102.53 1uf4 h GLY 222 Ca 0.27 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 1uf4 h GLY 222 CO -0.05 0.13 -0.33 1.76 0.00 0.00 0.00 176.54 178.06 1uf4 h SER 223 N 0.05 -0.81 -0.04 0.19 0.02 -1.09 -2.84 113.55 109.03 1uf4 h SER 223 Ca 0.05 0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.07 1uf4 h SER 223 Cb 0.22 0.23 -0.05 0.00 0.14 0.00 0.00 62.40 62.93 1uf4 h SER 223 CO -0.00 -0.54 -0.31 0.22 -1.14 0.00 0.00 176.83 175.06 1uf4 h TYR 224 N -0.87 -0.85 0.00 3.45 3.20 -1.20 0.23 116.97 120.94 1uf4 h TYR 224 Ca -0.08 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.82 1uf4 h TYR 224 Cb 0.69 0.38 0.00 0.00 1.54 0.00 0.00 36.73 39.34 1uf4 h TYR 224 CO -0.07 -0.40 0.00 1.04 -1.64 0.00 0.00 178.16 177.10 1uf4 n GLN 225 N -5.41 0.07 -0.00 1.82 6.02 -0.55 -2.17 117.38 117.16 1uf4 n GLN 225 Ca -0.04 0.37 0.01 0.00 -0.01 0.00 0.00 57.00 57.32 1uf4 n GLN 225 Cb 0.32 -1.65 0.01 0.00 1.02 0.00 0.00 30.24 29.93 1uf4 n GLN 225 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1uf4 n ASN 226 N -1.79 1.33 -3.85 1.08 3.02 -0.99 -5.00 115.26 109.05 1uf4 n ASN 226 Ca 0.02 -1.28 -0.27 0.00 -0.03 0.00 0.00 54.58 53.03 1uf4 n ASN 226 Cb 0.15 -0.01 0.02 0.00 -0.61 0.00 0.00 39.78 39.34 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 -0.05 -0.40 3.25 7.41 0.00 0.70 -4.83 105.19 111.26 1uf4 n GLY 227 Ca 0.01 0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.48 1.74 0.68 4.61 0.00 -0.47 -4.51 121.76 120.33 1uf4 s ALA 228 Ca 0.39 -1.06 -0.13 0.00 0.00 0.00 0.00 51.96 51.17 1uf4 s ALA 228 Cb -0.20 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.60 1uf4 s ALA 228 CO 0.83 0.39 1.08 -1.58 0.00 0.00 0.00 175.76 176.47 1uf4 s TRP 229 N -0.81 2.86 0.19 0.00 0.52 0.18 -3.50 118.94 118.38 1uf4 s TRP 229 Ca 0.07 1.50 -0.13 0.00 0.02 0.00 0.00 56.10 57.56 1uf4 s TRP 229 Cb -0.09 -3.00 0.01 0.00 -1.15 0.00 0.00 33.47 29.23 1uf4 s TRP 229 CO 0.02 -1.42 0.41 -1.54 0.02 0.00 0.00 176.95 174.43 1uf4 s SER 230 N -3.23 -0.09 -0.26 2.95 1.04 0.08 -1.22 113.70 112.98 1uf4 s SER 230 Ca 0.62 -0.73 -0.25 0.00 0.48 0.00 0.00 55.95 56.06 1uf4 s SER 230 Cb -0.16 0.51 0.08 0.00 0.10 0.00 0.00 66.02 66.55 1uf4 s SER 230 CO 0.48 -0.99 0.76 0.00 0.98 0.00 0.00 173.24 174.47 1uf4 s ALA 231 N -3.94 -1.81 -0.08 5.32 0.00 -1.03 -0.20 121.76 120.02 1uf4 s ALA 231 Ca 0.15 1.97 -0.00 0.00 0.00 0.00 0.00 51.96 54.08 1uf4 s ALA 231 Cb 0.01 -1.15 0.02 0.00 0.00 0.00 0.00 23.12 22.00 1uf4 s ALA 231 CO 0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 175.76 175.39 1uf4 s ALA 232 N 0.27 0.97 -0.31 0.00 0.00 0.32 -2.08 121.76 120.93 1uf4 s ALA 232 Ca -0.00 -0.28 -0.09 0.00 0.00 0.00 0.00 51.96 51.59 1uf4 s ALA 232 Cb -0.05 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.37 1uf4 s ALA 232 CO 0.01 -0.27 0.13 0.00 0.00 0.00 0.00 175.76 175.62 1uf4 s ALA 233 N 1.48 3.20 0.25 0.00 0.00 0.10 -1.46 121.76 125.34 1uf4 s ALA 233 Ca -0.01 -1.45 0.06 0.00 0.00 0.00 0.00 51.96 50.56 1uf4 s ALA 233 Cb -0.13 -2.33 -0.03 0.00 0.00 0.00 0.00 23.12 20.63 1uf4 s ALA 233 CO -0.04 -0.97 0.27 0.20 0.00 0.00 0.00 175.76 175.22 1uf4 s GLY 234 N 1.56 1.34 -0.33 0.00 0.00 -1.26 -0.49 107.32 108.15 1uf4 s GLY 234 Ca 0.04 -1.35 -0.08 0.00 0.00 0.00 0.00 44.72 43.33 1uf4 s GLY 234 CO 0.05 -1.38 0.13 1.25 0.00 0.00 0.00 173.10 173.15 1uf4 s LYS 235 N -3.91 2.87 0.48 2.90 2.20 -0.21 -1.98 119.74 122.09 1uf4 s LYS 235 Ca 0.34 -1.02 0.03 0.00 -0.36 0.00 0.00 55.97 54.95 1uf4 s LYS 235 Cb -0.08 -3.51 0.03 0.00 -1.51 0.00 0.00 37.83 32.76 1uf4 s LYS 235 CO 0.27 -0.59 0.23 0.00 -0.36 0.00 0.00 175.35 174.90 1uf4 n ALA 236 N 4.89 0.62 0.00 3.13 0.00 0.43 -4.59 120.51 125.00 1uf4 n ALA 236 Ca -0.13 -2.01 0.00 0.00 0.00 0.00 0.00 53.44 51.30 1uf4 n ALA 236 Cb 0.46 0.93 0.00 0.00 0.00 0.00 0.00 19.45 20.84 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 -0.77 0.39 3.55 0.00 0.00 -1.03 -1.42 105.19 105.91 1uf4 n GLY 237 Ca -0.08 -1.92 -0.39 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.64 3.08 -0.31 1.61 -2.45 -1.26 -1.35 119.30 116.99 1uf4 s MET 238 Ca 0.00 -0.24 -0.09 0.00 -1.25 0.00 0.00 55.69 54.10 1uf4 s MET 238 Cb 0.00 -4.57 -0.00 0.00 1.25 0.00 0.00 34.83 31.51 1uf4 s MET 238 CO 0.00 -2.42 0.14 -2.00 1.05 0.00 0.00 175.02 171.79 1uf4 s GLU 239 N 6.00 3.27 -1.34 4.11 2.12 -0.12 -4.58 118.70 128.15 1uf4 s GLU 239 Ca 0.48 -0.76 -0.00 0.00 0.36 0.00 0.00 54.97 55.05 1uf4 s GLU 239 Cb -0.07 -3.54 -0.00 0.00 0.26 0.00 0.00 34.13 30.78 1uf4 s GLU 239 CO 0.09 -0.43 0.59 0.39 -0.54 0.00 0.00 175.26 175.35 1uf4 n GLU 240 N 4.96 -4.22 -1.17 4.30 -0.58 -1.26 -1.49 120.64 121.18 1uf4 n GLU 240 Ca -0.14 0.53 -0.06 0.00 -0.42 0.00 0.00 57.16 57.08 1uf4 n GLU 240 Cb 0.49 -4.91 -0.02 0.00 -0.57 0.00 0.00 31.44 26.42 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 -3.03 -4.71 -3.94 1.62 3.02 -1.26 -4.99 115.26 101.97 1uf4 n ASN 241 Ca -0.30 0.14 -0.28 0.00 -0.03 0.00 0.00 54.58 54.11 1uf4 n ASN 241 Cb 0.68 -2.72 -0.17 0.00 -0.61 0.00 0.00 39.78 36.97 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 1.63 4.45 -0.00 0.00 1.75 -1.26 -0.94 119.30 124.93 1uf4 s MET 243 Ca 0.05 1.63 0.02 0.00 -1.25 0.00 0.00 55.69 56.14 1uf4 s MET 243 Cb -0.13 -3.43 -0.03 0.00 2.84 0.00 0.00 34.83 34.08 1uf4 s MET 243 CO -0.09 -0.23 -0.03 -0.51 -0.65 0.00 0.00 175.02 173.50 1uf4 s LEU 244 N 1.31 3.33 0.32 4.11 1.43 -0.45 -1.75 118.68 126.98 1uf4 s LEU 244 Ca 0.56 -0.07 -0.29 0.00 -1.03 0.00 0.00 54.13 53.29 1uf4 s LEU 244 Cb -0.25 -1.90 -0.10 0.00 0.03 0.00 0.00 46.19 43.96 1uf4 s LEU 244 CO 0.27 0.29 1.34 -0.22 0.23 0.00 0.00 176.35 178.25 1uf4 s LEU 245 N -1.46 4.41 0.00 1.79 2.96 0.16 -2.47 118.68 124.07 1uf4 s LEU 245 Ca 0.18 2.70 0.00 0.00 -0.22 0.00 0.00 54.13 56.79 1uf4 s LEU 245 Cb -0.11 -3.65 0.00 0.00 0.50 0.00 0.00 46.19 42.93 1uf4 s LEU 245 CO 0.08 -0.58 0.00 0.61 -1.32 0.00 0.00 176.35 175.14 1uf4 n GLY 246 N 0.99 0.53 3.77 7.98 0.00 -1.26 -4.17 105.19 113.03 1uf4 n GLY 246 Ca 0.01 0.00 -0.24 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 -1.98 -2.22 1.61 8.25 -1.26 -4.85 115.22 114.76 1uf4 n HIS 247 Ca 0.00 0.85 -0.39 0.00 -0.26 0.00 0.00 57.72 57.92 1uf4 n HIS 247 Cb 0.00 -4.26 -0.02 0.00 1.12 0.00 0.00 29.99 26.83 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 -4.13 6.52 0.21 0.41 0.01 -1.26 -4.80 113.70 110.67 1uf4 s SER 248 Ca 0.15 2.45 -0.09 0.00 1.31 0.00 0.00 55.95 59.77 1uf4 s SER 248 Cb -0.08 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.52 1uf4 s SER 248 CO 0.82 -0.68 0.35 0.00 0.41 0.00 0.00 173.24 174.14 1uf4 s ILE 250 N -4.03 0.86 -0.01 0.00 1.01 -0.81 -0.52 121.20 117.71 1uf4 s ILE 250 Ca 0.24 -0.35 0.06 0.00 0.00 0.00 0.00 60.65 60.60 1uf4 s ILE 250 Cb 0.02 -0.80 -0.01 0.00 0.01 0.00 0.00 42.46 41.68 1uf4 s ILE 250 CO 0.07 0.28 -0.18 -0.69 0.00 0.00 0.00 174.94 174.42 1uf4 s VAL 251 N 0.55 1.42 0.70 2.92 1.01 0.71 -0.89 120.40 126.82 1uf4 s VAL 251 Ca -0.10 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 60.99 1uf4 s VAL 251 Cb -0.13 -1.19 0.03 0.00 0.00 0.00 0.00 36.38 35.09 1uf4 s VAL 251 CO 0.02 0.38 1.07 0.00 0.00 0.00 0.00 175.10 176.57 1uf4 s ALA 252 N -0.45 2.95 -0.36 5.51 0.00 0.08 -0.74 121.76 128.75 1uf4 s ALA 252 Ca 0.07 -0.51 0.18 0.00 0.00 0.00 0.00 51.96 51.70 1uf4 s ALA 252 Cb -0.07 -2.90 0.96 0.00 0.00 0.00 0.00 23.12 21.11 1uf4 s ALA 252 CO -0.01 -1.18 1.55 -2.30 0.00 0.00 0.00 175.76 173.83 1uf4 n PRO 253 N -2.97 0.12 0.01 0.00 -0.02 -1.23 -0.30 135.00 130.61 1uf4 n PRO 253 Ca 0.07 0.59 0.13 0.00 -2.02 0.00 0.00 63.50 62.27 1uf4 n PRO 253 Cb 0.58 -1.87 0.45 0.00 -0.02 0.00 0.00 33.50 32.65 1uf4 n PRO 253 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1uf4 n THR 254 N -2.12 0.05 -0.29 3.45 -2.24 -1.26 -3.27 114.28 108.61 1uf4 n THR 254 Ca -0.01 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1uf4 n THR 254 Cb 0.04 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 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 1.48 0.78 3.76 3.38 0.00 0.59 -4.57 105.19 110.61 1uf4 n GLY 255 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.63 4.62 -0.27 1.61 2.02 -1.25 -4.62 118.70 120.18 1uf4 s GLU 256 Ca 0.00 1.83 -0.24 0.00 0.02 0.00 0.00 54.97 56.58 1uf4 s GLU 256 Cb 0.00 -3.19 -0.00 0.00 0.10 0.00 0.00 34.13 31.04 1uf4 s GLU 256 CO 0.00 0.17 0.79 0.42 0.02 0.00 0.00 175.26 176.66 1uf4 s ILE 257 N -1.09 4.84 -0.09 -1.63 1.01 -1.26 -0.74 121.20 122.24 1uf4 s ILE 257 Ca 0.45 1.38 0.22 0.00 0.00 0.00 0.00 60.65 62.70 1uf4 s ILE 257 Cb -0.32 -4.11 -0.25 0.00 0.01 0.00 0.00 42.46 37.79 1uf4 s ILE 257 CO 0.41 -0.13 0.60 1.33 0.00 0.00 0.00 174.94 177.16 1uf4 n VAL 258 N 5.35 0.28 -3.76 2.92 0.24 -0.07 -4.96 118.33 118.33 1uf4 n VAL 258 Ca 0.04 -0.54 -0.13 0.00 -2.04 0.00 0.00 64.34 61.67 1uf4 n VAL 258 Cb 0.48 -0.14 -0.11 0.00 -1.47 0.00 0.00 33.84 32.60 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 -3.39 -0.79 -0.13 2.33 0.00 -1.13 -4.98 121.76 113.67 1uf4 s ALA 259 Ca -0.06 0.88 -0.07 0.00 0.00 0.00 0.00 51.96 52.71 1uf4 s ALA 259 Cb 0.12 -0.51 0.05 0.00 0.00 0.00 0.00 23.12 22.79 1uf4 s ALA 259 CO 0.87 -0.15 0.31 -1.17 0.00 0.00 0.00 175.76 175.62 1uf4 s LEU 260 N 0.13 0.18 0.61 0.00 2.96 -1.26 -1.92 118.68 119.39 1uf4 s LEU 260 Ca -0.00 0.67 -0.16 0.00 -0.22 0.00 0.00 54.13 54.42 1uf4 s LEU 260 Cb -0.02 0.97 -0.02 0.00 0.50 0.00 0.00 46.19 47.61 1uf4 s LEU 260 CO 0.01 -0.18 1.09 0.42 -1.32 0.00 0.00 176.35 176.36 1uf4 s THR 261 N 1.38 3.48 -0.02 3.68 -4.23 -0.51 -4.97 115.64 114.45 1uf4 s THR 261 Ca -0.09 0.72 0.01 0.00 -1.18 0.00 0.00 61.69 61.15 1uf4 s THR 261 Cb -0.10 -3.25 -0.01 0.00 1.34 0.00 0.00 72.50 70.49 1uf4 s THR 261 CO -0.10 -0.39 0.02 0.35 -0.54 0.00 0.00 174.62 173.96 1uf4 n THR 262 N -2.09 0.00 -2.94 3.99 -2.24 -1.26 -4.30 114.28 105.44 1uf4 n THR 262 Ca 0.10 -0.23 -0.11 0.00 -2.27 0.00 0.00 64.05 61.54 1uf4 n THR 262 Cb 0.52 0.72 0.04 0.00 -2.10 0.00 0.00 70.33 69.52 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 -1.29 0.00 -1.63 4.28 -2.24 -1.26 -4.99 114.28 107.15 1uf4 n THR 263 Ca -0.00 -1.01 0.06 0.00 -2.27 0.00 0.00 64.05 60.83 1uf4 n THR 263 Cb 0.02 -0.80 0.14 0.00 -2.10 0.00 0.00 70.33 67.59 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 2.08 0.00 3.22 4.77 -1.26 -4.60 117.00 121.21 1uf4 n LEU 264 Ca 0.09 -3.09 -0.28 0.00 -0.03 0.00 0.00 56.01 52.70 1uf4 n LEU 264 Cb 0.32 -0.37 -0.05 0.00 -2.33 0.00 0.00 43.42 40.99 1uf4 n LEU 264 CO 0.21 0.95 -0.17 -0.62 -1.33 0.00 0.00 177.39 176.43 1uf4 n GLU 265 N -0.85 0.91 -1.70 3.23 1.02 -1.26 -3.66 120.64 118.32 1uf4 n GLU 265 Ca 0.14 -3.20 -0.43 0.00 -0.02 0.00 0.00 57.16 53.66 1uf4 n GLU 265 Cb 0.75 0.78 -0.03 0.00 -0.02 0.00 0.00 31.44 32.92 1uf4 n GLU 265 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1uf4 n ASP 266 N -1.35 3.91 -3.72 1.62 8.00 -1.26 -3.99 116.55 119.77 1uf4 n ASP 266 Ca -0.16 1.03 -0.13 0.00 0.71 0.00 0.00 54.79 56.25 1uf4 n ASP 266 Cb 0.56 -1.54 -0.10 0.00 -0.02 0.00 0.00 41.12 40.02 1uf4 n ASP 266 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1uf4 s GLU 267 N 1.81 0.49 -0.14 -1.24 2.12 -0.06 -4.90 118.70 116.78 1uf4 s GLU 267 Ca 0.78 0.64 -0.03 0.00 0.36 0.00 0.00 54.97 56.73 1uf4 s GLU 267 Cb -0.52 0.20 -0.03 0.00 0.26 0.00 0.00 34.13 34.04 1uf4 s GLU 267 CO 0.35 -0.08 -0.05 0.08 -0.54 0.00 0.00 175.26 175.02 1uf4 s VAL 268 N 0.45 3.77 0.20 3.70 1.01 -1.26 -0.66 120.40 127.62 1uf4 s VAL 268 Ca -0.02 -0.41 0.09 0.00 0.00 0.00 0.00 61.98 61.64 1uf4 s VAL 268 Cb -0.04 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 1uf4 s VAL 268 CO -0.02 0.51 -0.17 0.27 0.00 0.00 0.00 175.10 175.69 1uf4 s ILE 269 N 0.19 1.91 0.14 2.22 -4.36 -0.86 -4.98 121.20 115.47 1uf4 s ILE 269 Ca -0.03 -2.14 -0.08 0.00 -0.26 0.00 0.00 60.65 58.14 1uf4 s ILE 269 Cb -0.14 -2.02 -0.01 0.00 1.25 0.00 0.00 42.46 41.54 1uf4 s ILE 269 CO 0.03 -0.45 0.24 0.42 0.24 0.00 0.00 174.94 175.41 1uf4 s THR 270 N -2.54 0.09 -0.21 8.37 -4.23 -1.26 -1.41 115.64 114.44 1uf4 s THR 270 Ca 0.21 -1.42 -0.24 0.00 -1.18 0.00 0.00 61.69 59.07 1uf4 s THR 270 Cb -0.03 -1.77 0.06 0.00 1.34 0.00 0.00 72.50 72.10 1uf4 s THR 270 CO 0.08 -0.39 0.65 0.00 -0.54 0.00 0.00 174.62 174.42 1uf4 s ALA 271 N -3.96 -1.62 0.11 3.99 0.00 -0.24 -4.78 121.76 115.25 1uf4 s ALA 271 Ca 0.16 1.72 -0.30 0.00 0.00 0.00 0.00 51.96 53.53 1uf4 s ALA 271 Cb 0.04 -0.86 -0.06 0.00 0.00 0.00 0.00 23.12 22.23 1uf4 s ALA 271 CO -0.02 -0.32 1.16 0.00 0.00 0.00 0.00 175.76 176.58 1uf4 s ALA 272 N 0.04 3.38 -0.14 0.00 0.00 -1.26 -1.34 121.76 122.44 1uf4 s ALA 272 Ca -0.02 0.84 0.02 0.00 0.00 0.00 0.00 51.96 52.80 1uf4 s ALA 272 Cb -0.04 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 19.68 1uf4 s ALA 272 CO 0.03 -0.36 -0.22 0.08 0.00 0.00 0.00 175.76 175.29 1uf4 s VAL 273 N 0.55 2.07 -0.41 0.00 1.01 0.15 -4.92 120.40 118.85 1uf4 s VAL 273 Ca 0.55 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 61.48 1uf4 s VAL 273 Cb -0.29 -1.83 0.08 0.00 0.00 0.00 0.00 36.38 34.34 1uf4 s VAL 273 CO 0.32 0.55 0.24 -0.62 0.00 0.00 0.00 175.10 175.58 1uf4 s ASP 274 N 0.86 5.54 0.66 3.32 -1.08 -1.26 -1.21 116.67 123.50 1uf4 s ASP 274 Ca -0.06 -1.58 0.41 0.00 -0.52 0.00 0.00 52.55 50.79 1uf4 s ASP 274 Cb -0.15 -1.95 2.23 0.00 -1.46 0.00 0.00 42.92 41.59 1uf4 s ASP 274 CO -0.03 -0.53 2.29 -0.07 0.52 0.00 0.00 175.17 177.35 1uf4 h LEU 275 N 8.33 0.00 -0.39 -1.34 3.38 -1.63 -0.36 115.31 123.30 1uf4 h LEU 275 Ca -0.21 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 1uf4 h LEU 275 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1uf4 h LEU 275 CO 0.74 0.00 -0.31 0.44 0.09 0.00 0.00 178.44 179.40 1uf4 h ASP 276 N 0.00 0.00 0.00 -0.43 3.32 -1.86 -3.20 116.42 114.25 1uf4 h ASP 276 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1uf4 h ASP 276 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1uf4 h ASP 276 CO -0.00 0.31 0.12 -0.09 -1.72 0.00 0.00 179.24 177.86 1uf4 h ARG 277 N 0.00 0.00 -0.22 3.56 9.65 -1.44 -0.49 114.38 125.44 1uf4 h ARG 277 Ca -0.00 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 1uf4 h ARG 277 Cb 1.09 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.66 1uf4 h ARG 277 CO 0.04 0.00 0.00 0.00 2.80 0.00 0.00 179.97 182.82 1uf4 h ARG 279 N 0.32 0.34 -0.45 0.00 3.08 -1.34 -0.74 114.38 115.60 1uf4 h ARG 279 Ca 0.07 -0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.23 1uf4 h ARG 279 Cb 0.21 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1uf4 h ARG 279 CO 0.00 0.23 0.37 0.93 -1.07 0.00 0.00 179.97 180.44 1uf4 h GLU 280 N 0.36 0.00 0.00 0.04 5.08 -1.67 0.21 114.58 118.60 1uf4 h GLU 280 Ca 0.30 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.43 1uf4 h GLU 280 Cb 0.69 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 1uf4 h GLU 280 CO -0.08 0.00 -1.69 1.28 -1.00 0.00 0.00 179.01 177.53 1uf4 n LEU 281 N -4.10 1.58 0.00 1.33 7.99 -0.66 -4.31 117.00 118.83 1uf4 n LEU 281 Ca 0.08 0.27 0.05 0.00 -0.01 0.00 0.00 56.01 56.39 1uf4 n LEU 281 Cb 0.57 -0.63 0.23 0.00 -0.11 0.00 0.00 43.42 43.47 1uf4 n LEU 281 CO 0.33 0.15 0.61 0.54 -1.51 0.00 0.00 177.39 177.51 1uf4 n ARG 282 N -4.05 0.09 -0.01 3.23 5.12 -0.37 -0.96 116.66 119.70 1uf4 n ARG 282 Ca -0.31 0.25 0.00 0.00 -1.93 0.00 0.00 57.85 55.86 1uf4 n ARG 282 Cb 0.66 -1.50 0.01 0.00 -1.16 0.00 0.00 32.46 30.46 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 -1.36 1.59 0.00 5.56 1.02 0.06 -4.06 120.64 123.44 1uf4 n GLU 283 Ca 0.04 -1.18 0.00 0.00 -0.02 0.00 0.00 57.16 56.00 1uf4 n GLU 283 Cb 0.09 -1.02 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 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 -0.26 0.00 -0.27 -0.32 8.25 -0.76 -4.78 115.22 117.08 1uf4 n HIS 284 Ca 0.01 0.00 0.28 0.00 -0.26 0.00 0.00 57.72 57.75 1uf4 n HIS 284 Cb 0.17 0.00 0.65 0.00 1.12 0.00 0.00 29.99 31.94 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 0.51 -0.98 1.59 2.10 -1.80 -0.49 117.51 118.45 1uf4 h ILE 285 Ca 0.00 -0.05 -0.58 0.00 1.08 0.00 0.00 64.86 65.31 1uf4 h ILE 285 Cb 0.00 0.35 -0.40 0.00 -1.09 0.00 0.00 36.82 35.68 1uf4 h ILE 285 CO 0.00 0.03 -0.49 0.49 -1.08 0.00 0.00 178.15 177.10 1uf4 n PHE 286 N -4.36 2.95 -2.59 2.19 0.99 -0.14 -4.94 117.46 111.57 1uf4 n PHE 286 Ca 0.23 -2.50 -0.41 0.00 -0.00 0.00 0.00 57.45 54.76 1uf4 n PHE 286 Cb 1.00 -0.49 -0.03 0.00 -1.00 0.00 0.00 39.48 38.97 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 -3.24 6.25 0.12 4.37 3.84 -0.19 -4.17 114.94 121.92 1uf4 s ASN 287 Ca 0.52 -0.77 -0.30 0.00 0.21 0.00 0.00 52.86 52.52 1uf4 s ASN 287 Cb 0.42 -2.55 -0.08 0.00 -0.55 0.00 0.00 41.25 38.50 1uf4 s ASN 287 CO -0.03 -1.71 1.58 -0.26 -2.79 0.00 0.00 177.10 173.89 1uf4 h PHE 288 N 9.91 -1.28 -0.99 0.43 0.05 -1.89 -0.95 116.94 122.22 1uf4 h PHE 288 Ca -0.16 0.05 0.22 0.00 3.82 0.00 0.00 57.97 61.90 1uf4 h PHE 288 Cb 1.04 0.57 -0.12 0.00 2.00 0.00 0.00 35.95 39.44 1uf4 h PHE 288 CO 1.15 -0.50 0.57 1.57 -0.18 0.00 0.00 178.31 180.92 1uf4 h LYS 289 N -0.55 0.59 0.00 1.51 2.10 -1.92 0.13 116.57 118.43 1uf4 h LYS 289 Ca 0.05 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 1uf4 h LYS 289 Cb 0.65 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 1uf4 h LYS 289 CO -0.37 0.39 -0.28 1.96 -2.00 0.00 0.00 179.45 179.15 1uf4 h GLN 290 N 0.61 0.00 0.00 0.07 1.08 -1.84 -3.42 115.11 111.62 1uf4 h GLN 290 Ca 0.61 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.81 1uf4 h GLN 290 Cb 1.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.53 1uf4 h GLN 290 CO -0.45 0.00 -0.95 0.72 -0.95 0.00 0.00 178.83 177.20 1uf4 n HIS 291 N -2.87 0.00 -1.76 2.96 8.25 -0.35 -5.06 115.22 116.39 1uf4 n HIS 291 Ca 0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.08 1uf4 n HIS 291 Cb 0.52 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.63 1uf4 n HIS 291 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1uf4 n ARG 292 N -2.30 2.63 -3.50 -0.41 1.74 0.30 -4.96 116.66 110.14 1uf4 n ARG 292 Ca 0.00 0.93 -0.28 0.00 -0.77 0.00 0.00 57.85 57.73 1uf4 n ARG 292 Cb 0.48 -2.66 -0.08 0.00 -1.02 0.00 0.00 32.46 29.17 1uf4 n ARG 292 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1uf4 n GLN 293 N 0.99 2.49 0.11 5.56 1.13 -1.26 -4.94 117.38 121.47 1uf4 n GLN 293 Ca 0.04 -4.64 0.20 0.00 -1.94 0.00 0.00 57.00 50.66 1uf4 n GLN 293 Cb 0.38 -2.28 0.76 0.00 0.11 0.00 0.00 30.24 29.20 1uf4 n GLN 293 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1uf4 h PRO 294 N 4.50 0.00 0.00 -1.09 0.11 -1.98 -0.70 132.00 132.84 1uf4 h PRO 294 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1uf4 h PRO 294 Cb 0.68 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.79 1uf4 h PRO 294 CO 0.84 0.00 0.00 -0.56 -0.21 0.00 0.00 178.00 178.07 1uf4 h GLN 295 N 0.00 0.00 -0.10 1.05 -0.00 -2.03 -1.79 115.11 112.23 1uf4 h GLN 295 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.83 1uf4 h GLN 295 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.47 1uf4 h GLN 295 CO -0.00 0.00 0.00 0.72 -0.00 0.00 0.00 178.83 179.55 1uf4 n HIS 296 N -2.60 0.11 0.86 0.06 8.25 -0.27 -4.48 115.22 117.15 1uf4 n HIS 296 Ca -0.01 -0.07 0.10 0.00 -0.26 0.00 0.00 57.72 57.48 1uf4 n HIS 296 Cb 0.11 -0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.29 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 1.04 0.00 -0.41 4.41 4.01 -0.67 -4.68 117.16 120.86 1uf4 n TYR 297 Ca 0.12 0.00 0.36 0.00 -0.16 0.00 0.00 57.90 58.22 1uf4 n TYR 297 Cb 0.47 0.00 0.63 0.00 -0.31 0.00 0.00 39.34 40.13 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 4.05 1.70 2.00 2.72 0.00 -1.78 0.15 103.07 111.90 1uf4 h GLY 298 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 1uf4 h GLY 298 CO 0.00 -0.57 -0.05 -2.00 0.00 0.00 0.00 176.54 173.92 1uf4 h LEU 299 N 0.04 0.00 -1.05 3.11 5.85 -1.96 -1.55 115.31 119.76 1uf4 h LEU 299 Ca 0.85 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 59.52 1uf4 h LEU 299 Cb 2.52 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 43.52 1uf4 h LEU 299 CO -0.56 0.05 0.15 0.40 -0.34 0.00 0.00 178.44 178.13 1uf4 h ILE 300 N 0.00 1.22 -0.01 4.05 2.04 -1.07 -2.42 117.51 121.32 1uf4 h ILE 300 Ca -0.00 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.07 1uf4 h ILE 300 Cb 0.09 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1uf4 h ILE 300 CO 0.01 0.30 -0.07 0.00 0.00 0.00 0.00 178.15 178.38 1uf4 n ALA 301 N -2.46 2.71 -1.76 1.87 0.00 -0.62 -4.93 120.51 115.32 1uf4 n ALA 301 Ca 0.04 -0.45 -0.40 0.00 0.00 0.00 0.00 53.44 52.63 1uf4 n ALA 301 Cb 0.21 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 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 -2.13 4.47 0.00 0.00 2.02 -0.91 -5.13 118.70 117.01 1uf4 s GLU 302 Ca 0.34 1.96 0.31 0.00 0.02 0.00 0.00 54.97 57.60 1uf4 s GLU 302 Cb 0.20 -3.08 1.73 0.00 0.10 0.00 0.00 34.13 33.08 1uf4 s GLU 302 CO 0.38 0.00 2.13 1.28 0.02 0.00 0.00 175.26 179.08