#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uf5 n ARG 2 N 0.00 -6.42 -4.39 -0.78 1.74 -1.26 -4.75 116.66 100.80 1uf5 n ARG 2 Ca 0.00 0.76 -0.25 0.00 -0.77 0.00 0.00 57.85 57.59 1uf5 n ARG 2 Cb 0.00 -5.66 -0.10 0.00 -1.02 0.00 0.00 32.46 25.68 1uf5 n ARG 2 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1uf5 s GLN 3 N -5.89 1.85 0.22 5.56 -0.21 -1.26 -1.19 119.66 118.75 1uf5 s GLN 3 Ca 0.22 -1.54 -0.22 0.00 0.02 0.00 0.00 55.36 53.84 1uf5 s GLN 3 Cb -0.10 -1.95 0.05 0.00 1.00 0.00 0.00 33.01 32.01 1uf5 s GLN 3 CO 0.76 0.37 0.89 0.00 -2.12 0.00 0.00 175.29 175.20 1uf5 s MET 4 N -3.22 1.51 -0.19 2.91 0.23 -0.15 -5.00 119.30 115.38 1uf5 s MET 4 Ca 0.27 -0.88 0.01 0.00 -1.03 0.00 0.00 55.69 54.06 1uf5 s MET 4 Cb -0.07 0.48 0.03 0.00 -1.53 0.00 0.00 34.83 33.74 1uf5 s MET 4 CO 0.15 -0.70 -0.17 0.42 -2.03 0.00 0.00 175.02 172.69 1uf5 s ILE 5 N -3.13 1.99 -0.05 3.16 1.01 -1.26 0.34 121.20 123.25 1uf5 s ILE 5 Ca 0.14 -1.02 -0.08 0.00 0.00 0.00 0.00 60.65 59.69 1uf5 s ILE 5 Cb -0.03 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 1uf5 s ILE 5 CO 0.05 0.41 0.22 -0.22 0.00 0.00 0.00 174.94 175.41 1uf5 s LEU 6 N 1.29 4.40 0.15 2.97 2.96 -0.25 -0.57 118.68 129.63 1uf5 s LEU 6 Ca 0.02 0.56 0.06 0.00 -0.22 0.00 0.00 54.13 54.56 1uf5 s LEU 6 Cb -0.14 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.13 1uf5 s LEU 6 CO -0.11 0.34 -0.14 0.00 -1.32 0.00 0.00 176.35 175.12 1uf5 s ALA 7 N -1.14 1.66 -0.06 5.97 0.00 0.20 -1.09 121.76 127.30 1uf5 s ALA 7 Ca 0.21 -1.43 0.03 0.00 0.00 0.00 0.00 51.96 50.77 1uf5 s ALA 7 Cb -0.13 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 22.93 1uf5 s ALA 7 CO 0.10 0.07 -0.15 0.08 0.00 0.00 0.00 175.76 175.87 1uf5 s VAL 8 N -2.53 1.29 -0.65 0.00 1.01 -0.36 -0.90 120.40 118.26 1uf5 s VAL 8 Ca 0.14 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 1uf5 s VAL 8 Cb -0.03 -1.14 0.17 0.00 0.00 0.00 0.00 36.38 35.38 1uf5 s VAL 8 CO 0.04 0.38 0.47 -0.83 0.00 0.00 0.00 175.10 175.16 1uf5 s GLY 9 N 0.36 2.54 0.35 4.51 0.00 0.63 -1.97 107.32 113.75 1uf5 s GLY 9 Ca -0.10 -3.30 -0.27 0.00 0.00 0.00 0.00 44.72 41.05 1uf5 s GLY 9 CO 0.03 1.11 1.15 1.62 0.00 0.00 0.00 173.10 177.01 1uf5 s GLN 10 N -0.12 4.29 0.05 2.90 0.74 0.11 -4.21 119.66 123.42 1uf5 s GLN 10 Ca 0.17 1.83 0.03 0.00 0.05 0.00 0.00 55.36 57.45 1uf5 s GLN 10 Cb -0.19 -2.86 -0.04 0.00 1.10 0.00 0.00 33.01 31.01 1uf5 s GLN 10 CO -0.04 -0.11 0.00 -0.65 -0.55 0.00 0.00 175.29 173.94 1uf5 s GLN 11 N -2.00 2.66 0.40 1.67 -0.21 -0.62 -1.03 119.66 120.54 1uf5 s GLN 11 Ca 0.52 -0.74 -0.03 0.00 0.02 0.00 0.00 55.36 55.13 1uf5 s GLN 11 Cb -0.31 -2.60 0.09 0.00 1.00 0.00 0.00 33.01 31.19 1uf5 s GLN 11 CO 0.40 0.57 0.55 0.41 -2.12 0.00 0.00 175.29 175.10 1uf5 n GLY 12 N 0.88 -0.15 3.66 3.09 0.00 -1.25 -0.24 105.19 111.19 1uf5 n GLY 12 Ca -0.12 -1.86 -0.35 0.00 0.00 0.00 0.00 46.02 43.68 1uf5 n GLY 12 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1uf5 n PRO 13 N -2.09 0.53 -4.00 1.61 -0.02 -0.70 -4.49 135.00 125.83 1uf5 n PRO 13 Ca 0.08 0.24 -0.30 0.00 -2.02 0.00 0.00 63.50 61.50 1uf5 n PRO 13 Cb 0.28 -2.36 -0.16 0.00 -0.02 0.00 0.00 33.50 31.25 1uf5 n PRO 13 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1uf5 s ILE 14 N -1.82 1.60 0.62 4.25 1.01 -1.26 -5.06 121.20 120.53 1uf5 s ILE 14 Ca 0.75 -0.88 -0.16 0.00 0.00 0.00 0.00 60.65 60.36 1uf5 s ILE 14 Cb -0.33 -1.63 -0.02 0.00 0.01 0.00 0.00 42.46 40.48 1uf5 s ILE 14 CO 0.48 0.25 1.09 0.00 0.00 0.00 0.00 174.94 176.77 1uf5 s ALA 15 N 1.43 2.60 0.49 9.38 0.00 -1.26 -3.99 121.76 130.42 1uf5 s ALA 15 Ca 0.01 0.51 0.15 0.00 0.00 0.00 0.00 51.96 52.63 1uf5 s ALA 15 Cb -0.15 -3.29 1.17 0.00 0.00 0.00 0.00 23.12 20.86 1uf5 s ALA 15 CO -0.09 -1.03 2.09 -0.09 0.00 0.00 0.00 175.76 176.64 1uf5 h ARG 16 N 0.32 0.16 -0.00 0.00 2.43 -1.98 -1.11 114.38 114.20 1uf5 h ARG 16 Ca -0.47 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1uf5 h ARG 16 Cb 1.24 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1uf5 h ARG 16 CO 0.56 0.10 -0.47 0.00 -1.51 0.00 0.00 179.97 178.65 1uf5 n ALA 17 N -2.54 3.49 -2.18 2.80 0.00 -1.26 -4.89 120.51 115.93 1uf5 n ALA 17 Ca 0.01 -0.35 -0.42 0.00 0.00 0.00 0.00 53.44 52.68 1uf5 n ALA 17 Cb 0.18 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.47 1uf5 n ALA 17 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1uf5 s GLU 18 N -2.97 4.29 0.58 0.00 2.12 -0.42 -4.99 118.70 117.32 1uf5 s GLU 18 Ca 0.12 2.03 -0.14 0.00 0.36 0.00 0.00 54.97 57.35 1uf5 s GLU 18 Cb 0.18 -3.45 -0.05 0.00 0.26 0.00 0.00 34.13 31.07 1uf5 s GLU 18 CO 0.68 -0.53 1.02 0.95 -0.54 0.00 0.00 175.26 176.84 1uf5 s THR 19 N 1.89 4.54 0.37 -1.70 -4.23 -1.26 -4.86 115.64 110.40 1uf5 s THR 19 Ca 0.65 1.00 0.05 0.00 -1.18 0.00 0.00 61.69 62.21 1uf5 s THR 19 Cb -0.34 -3.75 0.23 0.00 1.34 0.00 0.00 72.50 69.98 1uf5 s THR 19 CO 0.28 -0.90 1.99 0.03 -0.54 0.00 0.00 174.62 175.49 1uf5 h ARG 20 N 0.21 0.62 -0.74 3.99 3.08 -1.95 -1.29 114.38 118.31 1uf5 h ARG 20 Ca -0.45 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 59.54 1uf5 h ARG 20 Cb 1.19 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 31.08 1uf5 h ARG 20 CO 0.61 0.47 0.49 1.05 -1.07 0.00 0.00 179.97 181.52 1uf5 h GLU 21 N 0.63 0.97 -0.41 0.04 9.09 -1.93 0.13 114.58 123.10 1uf5 h GLU 21 Ca 0.16 -0.06 -0.10 0.00 0.05 0.00 0.00 59.36 59.41 1uf5 h GLU 21 Cb 0.04 -0.22 -0.02 0.00 -1.65 0.00 0.00 28.75 26.90 1uf5 h GLU 21 CO -0.02 0.64 -0.15 1.96 0.05 0.00 0.00 179.01 181.48 1uf5 h GLN 22 N 1.00 0.75 -0.40 1.06 4.20 -1.66 -2.43 115.11 117.63 1uf5 h GLN 22 Ca 0.27 -0.27 -0.15 0.00 0.06 0.00 0.00 58.65 58.57 1uf5 h GLN 22 Cb -0.11 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 1uf5 h GLN 22 CO -0.06 0.87 -0.33 0.28 -0.67 0.00 0.00 178.83 178.91 1uf5 h VAL 23 N 0.67 1.27 -0.67 -0.54 2.07 -0.64 -2.95 116.25 115.47 1uf5 h VAL 23 Ca 0.11 -1.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.11 1uf5 h VAL 23 Cb 0.64 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1uf5 h VAL 23 CO 0.04 0.51 0.35 0.58 0.02 0.00 0.00 177.57 179.07 1uf5 h VAL 24 N 0.77 1.21 -0.58 2.57 2.07 -0.58 -0.03 116.25 121.67 1uf5 h VAL 24 Ca 0.07 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 67.05 1uf5 h VAL 24 Cb 0.91 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1uf5 h VAL 24 CO 0.08 0.24 0.37 0.58 0.02 0.00 0.00 177.57 178.87 1uf5 h VAL 25 N 0.94 1.12 -0.68 2.57 2.07 -1.29 0.21 116.25 121.19 1uf5 h VAL 25 Ca 0.24 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 1uf5 h VAL 25 Cb 0.06 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 1uf5 h VAL 25 CO -0.03 0.14 0.18 0.03 0.02 0.00 0.00 177.57 177.90 1uf5 h ARG 26 N 0.76 1.08 -0.50 1.57 3.08 -1.16 -1.53 114.38 117.67 1uf5 h ARG 26 Ca 0.22 -0.25 -0.12 0.00 0.07 0.00 0.00 59.98 59.89 1uf5 h ARG 26 Cb -0.06 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 1uf5 h ARG 26 CO -0.06 0.95 -0.17 -0.07 -1.07 0.00 0.00 179.97 179.55 1uf5 h LEU 27 N 1.01 1.02 -0.91 3.04 3.38 -0.54 -2.60 115.31 119.70 1uf5 h LEU 27 Ca 0.21 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1uf5 h LEU 27 Cb 0.35 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1uf5 h LEU 27 CO 0.00 1.16 0.38 -0.07 0.09 0.00 0.00 178.44 180.01 1uf5 h LEU 28 N 0.86 1.06 -0.49 1.67 3.38 -0.37 -0.95 115.31 120.47 1uf5 h LEU 28 Ca 0.12 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1uf5 h LEU 28 Cb 0.74 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1uf5 h LEU 28 CO 0.06 0.90 0.25 -0.78 0.09 0.00 0.00 178.44 178.95 1uf5 h ASP 29 N 1.16 0.64 -0.36 -0.43 3.58 -1.11 -0.87 116.42 119.02 1uf5 h ASP 29 Ca 0.28 -0.12 -0.14 0.00 0.42 0.00 0.00 57.03 57.46 1uf5 h ASP 29 Cb 0.12 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 1uf5 h ASP 29 CO -0.03 0.58 -0.32 0.24 -2.88 0.00 0.00 179.24 176.83 1uf5 h MET 30 N 0.66 0.90 -0.67 0.28 2.86 -1.18 -1.43 114.93 116.33 1uf5 h MET 30 Ca 0.17 -0.43 -0.05 0.00 -2.06 0.00 0.00 59.70 57.33 1uf5 h MET 30 Cb 0.10 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 1uf5 h MET 30 CO -0.02 1.08 0.23 1.25 1.06 0.00 0.00 176.91 180.50 1uf5 h LEU 31 N 0.75 0.94 -0.30 1.22 6.46 -0.97 0.60 115.31 124.02 1uf5 h LEU 31 Ca 0.08 -0.16 -0.10 0.00 -0.12 0.00 0.00 57.88 57.58 1uf5 h LEU 31 Cb 0.89 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.57 1uf5 h LEU 31 CO 0.08 0.87 -0.22 0.74 -0.62 0.00 0.00 178.44 179.29 1uf5 h THR 32 N 0.98 1.30 -0.65 1.05 2.02 -1.02 -1.60 112.91 114.99 1uf5 h THR 32 Ca 0.22 -1.36 -0.07 0.00 0.77 0.00 0.00 66.41 65.97 1uf5 h THR 32 Cb 0.25 1.52 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 1uf5 h THR 32 CO -0.01 0.44 0.12 0.11 0.37 0.00 0.00 175.52 176.55 1uf5 h LYS 33 N 0.42 1.06 -0.35 6.66 1.57 -1.00 -1.54 116.57 123.39 1uf5 h LYS 33 Ca 0.06 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.55 1uf5 h LYS 33 Cb 0.77 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1uf5 h LYS 33 CO 0.06 0.96 0.15 0.00 -0.57 0.00 0.00 179.45 180.05 1uf5 h ALA 34 N 1.13 0.45 -0.57 3.86 0.00 -0.78 -2.52 119.26 120.83 1uf5 h ALA 34 Ca 0.20 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1uf5 h ALA 34 Cb 0.40 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1uf5 h ALA 34 CO 0.01 0.04 0.29 0.00 0.00 0.00 0.00 179.25 179.59 1uf5 h ALA 35 N 1.00 1.44 0.00 0.00 0.00 -1.03 -1.20 119.26 119.47 1uf5 h ALA 35 Ca 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1uf5 h ALA 35 Cb 0.16 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1uf5 h ALA 35 CO -0.01 0.45 -0.06 0.66 0.00 0.00 0.00 179.25 180.29 1uf5 h SER 36 N 0.79 0.00 -0.61 0.00 4.64 -0.88 -1.53 113.55 115.97 1uf5 h SER 36 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1uf5 h SER 36 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1uf5 h SER 36 CO -0.03 0.06 0.00 0.54 -0.87 0.00 0.00 176.83 176.53 1uf5 n ARG 37 N -3.27 3.71 -0.66 4.77 1.74 -0.53 -4.94 116.66 117.48 1uf5 n ARG 37 Ca -0.01 -2.73 0.00 0.00 -0.77 0.00 0.00 57.85 54.34 1uf5 n ARG 37 Cb 0.26 -1.91 0.00 0.00 -1.02 0.00 0.00 32.46 29.79 1uf5 n ARG 37 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uf5 n GLY 38 N 1.05 0.83 3.77 -0.13 0.00 -0.58 -5.04 105.19 105.09 1uf5 n GLY 38 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 1uf5 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uf5 s ALA 39 N -3.28 3.21 -1.01 4.61 0.00 -0.74 -4.53 121.76 120.03 1uf5 s ALA 39 Ca 0.00 1.31 0.10 0.00 0.00 0.00 0.00 51.96 53.37 1uf5 s ALA 39 Cb 0.00 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.61 1uf5 s ALA 39 CO 0.00 -0.99 0.68 0.09 0.00 0.00 0.00 175.76 175.54 1uf5 n ASN 40 N -0.09 1.35 -3.63 0.00 4.13 0.26 -4.46 115.26 112.82 1uf5 n ASN 40 Ca 0.05 -1.18 -0.13 0.00 1.68 0.00 0.00 54.58 55.00 1uf5 n ASN 40 Cb 0.43 0.37 -0.07 0.00 -1.54 0.00 0.00 39.78 38.98 1uf5 n ASN 40 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1uf5 s PHE 41 N -1.27 -0.71 -0.04 3.10 5.36 -1.23 -1.91 117.98 121.28 1uf5 s PHE 41 Ca 0.09 1.71 0.02 0.00 -0.96 0.00 0.00 56.93 57.79 1uf5 s PHE 41 Cb 0.08 0.30 0.01 0.00 -0.34 0.00 0.00 43.02 43.07 1uf5 s PHE 41 CO 0.23 -0.35 -0.07 -1.50 -1.46 0.00 0.00 175.22 172.06 1uf5 s ILE 42 N 0.28 0.71 -0.20 3.12 2.07 -0.11 -0.63 121.20 126.44 1uf5 s ILE 42 Ca 0.00 -0.27 -0.14 0.00 -1.41 0.00 0.00 60.65 58.83 1uf5 s ILE 42 Cb -0.05 -0.67 -0.04 0.00 0.13 0.00 0.00 42.46 41.83 1uf5 s ILE 42 CO -0.00 0.25 0.32 -0.69 -1.91 0.00 0.00 174.94 172.90 1uf5 s VAL 43 N 0.53 5.26 0.35 4.00 1.01 -0.07 -1.75 120.40 129.73 1uf5 s VAL 43 Ca -0.08 0.54 0.07 0.00 0.00 0.00 0.00 61.98 62.51 1uf5 s VAL 43 Cb -0.12 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 1uf5 s VAL 43 CO 0.01 0.30 0.32 -0.36 0.00 0.00 0.00 175.10 175.38 1uf5 s PHE 44 N 1.06 2.88 1.07 5.22 2.99 0.04 -0.27 117.98 130.97 1uf5 s PHE 44 Ca 0.16 -0.33 -0.14 0.00 0.00 0.00 0.00 56.93 56.62 1uf5 s PHE 44 Cb -0.14 -1.88 0.22 0.00 0.00 0.00 0.00 43.02 41.22 1uf5 s PHE 44 CO 0.06 0.11 1.08 -2.14 -0.00 0.00 0.00 175.22 174.33 1uf5 s PRO 45 N -4.03 -0.13 0.34 0.24 0.02 -1.25 -4.12 135.00 126.06 1uf5 s PRO 45 Ca 0.43 0.44 -0.27 0.00 0.02 0.00 0.00 61.00 61.62 1uf5 s PRO 45 Cb -0.06 -1.68 -0.09 0.00 0.02 0.00 0.00 34.50 32.69 1uf5 s PRO 45 CO 0.27 -3.10 1.15 -2.00 -0.33 0.00 0.00 177.00 173.00 1uf5 s GLU 46 N -4.96 4.35 -1.31 5.54 2.12 -1.26 -2.48 118.70 120.71 1uf5 s GLU 46 Ca 0.67 1.86 -0.24 0.00 0.36 0.00 0.00 54.97 57.62 1uf5 s GLU 46 Cb -0.18 -2.94 0.03 0.00 0.26 0.00 0.00 34.13 31.30 1uf5 s GLU 46 CO 0.58 -0.06 0.49 1.28 -0.54 0.00 0.00 175.26 177.01 1uf5 n LEU 47 N 0.63 -0.63 0.00 2.70 4.77 -1.23 -4.75 117.00 118.49 1uf5 n LEU 47 Ca 0.01 -1.27 0.14 0.00 -0.03 0.00 0.00 56.01 54.86 1uf5 n LEU 47 Cb 0.45 -1.67 0.84 0.00 -2.33 0.00 0.00 43.42 40.71 1uf5 n LEU 47 CO 0.53 0.69 1.03 0.00 -1.33 0.00 0.00 177.39 178.32 1uf5 n ALA 48 N -4.87 2.65 0.84 -1.18 0.00 -0.32 -3.61 120.51 114.01 1uf5 n ALA 48 Ca -0.18 -0.18 0.09 0.00 0.00 0.00 0.00 53.44 53.18 1uf5 n ALA 48 Cb 0.61 -1.46 -0.04 0.00 0.00 0.00 0.00 19.45 18.56 1uf5 n ALA 48 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1uf5 n LEU 49 N -0.95 1.43 -4.14 0.00 4.77 -1.26 -4.98 117.00 111.87 1uf5 n LEU 49 Ca 0.21 -0.66 -0.14 0.00 -0.03 0.00 0.00 56.01 55.39 1uf5 n LEU 49 Cb 0.10 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 1uf5 n LEU 49 CO 0.16 0.29 0.02 0.42 -1.33 0.00 0.00 177.39 176.95 1uf5 s THR 50 N -2.36 0.00 0.82 -5.08 -4.23 -1.24 -4.58 115.64 98.97 1uf5 s THR 50 Ca 0.12 -1.73 -0.11 0.00 -1.18 0.00 0.00 61.69 58.79 1uf5 s THR 50 Cb 0.15 -2.51 0.08 0.00 1.34 0.00 0.00 72.50 71.55 1uf5 s THR 50 CO 0.58 0.00 1.09 0.28 -0.54 0.00 0.00 174.62 176.03 1uf5 s THR 51 N -3.51 3.07 -1.27 3.99 -1.32 -1.26 -4.83 115.64 110.52 1uf5 s THR 51 Ca 0.33 0.35 -0.19 0.00 -1.21 0.00 0.00 61.69 60.97 1uf5 s THR 51 Cb 0.02 -2.93 0.05 0.00 -1.51 0.00 0.00 72.50 68.13 1uf5 s THR 51 CO 0.18 -0.46 1.74 0.12 -2.21 0.00 0.00 174.62 173.99 1uf5 s PHE 52 N -3.00 2.68 0.60 9.09 5.36 -1.26 -4.81 117.98 126.65 1uf5 s PHE 52 Ca 0.62 -1.38 0.40 0.00 -0.96 0.00 0.00 56.93 55.61 1uf5 s PHE 52 Cb -0.16 -4.69 2.16 0.00 -0.34 0.00 0.00 43.02 39.99 1uf5 s PHE 52 CO 0.56 -1.77 2.21 0.27 -1.46 0.00 0.00 175.22 175.04 1uf5 h PHE 53 N 7.95 0.00 0.00 10.12 -5.15 -1.97 -2.82 116.94 125.06 1uf5 h PHE 53 Ca 0.41 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.18 1uf5 h PHE 53 Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.06 1uf5 h PHE 53 CO 1.40 0.00 0.00 -2.30 -2.00 0.00 0.00 178.31 175.41 1uf5 n PRO 54 N -2.97 0.04 0.00 6.09 -0.02 -1.26 -1.89 135.00 135.00 1uf5 n PRO 54 Ca -0.03 0.32 0.12 0.00 -2.02 0.00 0.00 63.50 61.89 1uf5 n PRO 54 Cb 0.14 -1.50 0.55 0.00 -0.02 0.00 0.00 33.50 32.67 1uf5 n PRO 54 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1uf5 n ARG 55 N -1.39 0.11 -4.42 -0.52 1.85 -1.06 -1.17 116.66 110.05 1uf5 n ARG 55 Ca 0.02 0.08 -0.27 0.00 -1.00 0.00 0.00 57.85 56.68 1uf5 n ARG 55 Cb 0.05 -1.50 -0.12 0.00 -1.05 0.00 0.00 32.46 29.84 1uf5 n ARG 55 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1uf5 s TRP 56 N -2.87 2.32 -0.26 2.89 0.51 -0.79 -1.60 118.94 119.13 1uf5 s TRP 56 Ca 0.15 -0.35 -0.14 0.00 -2.12 0.00 0.00 56.10 53.64 1uf5 s TRP 56 Cb 0.16 -1.15 -0.04 0.00 -0.81 0.00 0.00 33.47 31.63 1uf5 s TRP 56 CO 0.42 0.50 0.33 -1.58 -0.51 0.00 0.00 176.95 176.11 1uf5 s HIS 57 N -1.67 3.26 -0.12 -1.98 5.65 -1.26 -4.87 115.29 114.29 1uf5 s HIS 57 Ca 0.21 0.36 -0.06 0.00 0.25 0.00 0.00 55.06 55.82 1uf5 s HIS 57 Cb -0.08 -2.51 -0.04 0.00 -1.18 0.00 0.00 32.58 28.77 1uf5 s HIS 57 CO 0.10 -0.17 0.11 -0.06 -0.65 0.00 0.00 174.74 174.07 1uf5 s PHE 58 N 1.86 3.50 -0.10 3.88 0.40 -1.26 -4.97 117.98 121.29 1uf5 s PHE 58 Ca 0.13 0.45 0.11 0.00 -0.60 0.00 0.00 56.93 57.02 1uf5 s PHE 58 Cb -0.16 -1.92 -0.16 0.00 0.51 0.00 0.00 43.02 41.29 1uf5 s PHE 58 CO 0.10 0.66 0.27 0.25 0.70 0.00 0.00 175.22 177.19 1uf5 n THR 59 N 2.11 0.00 -3.68 0.64 -2.24 -1.26 -4.91 114.28 104.94 1uf5 n THR 59 Ca -0.19 -0.25 -0.38 0.00 -2.27 0.00 0.00 64.05 60.96 1uf5 n THR 59 Cb 0.55 0.40 -0.12 0.00 -2.10 0.00 0.00 70.33 69.05 1uf5 n THR 59 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1uf5 s ASP 60 N -3.00 5.45 0.34 3.42 2.15 -1.26 -4.98 116.67 118.80 1uf5 s ASP 60 Ca -0.02 -0.49 0.05 0.00 0.43 0.00 0.00 52.55 52.51 1uf5 s ASP 60 Cb 0.07 -1.98 0.62 0.00 -0.30 0.00 0.00 42.92 41.33 1uf5 s ASP 60 CO 0.44 -0.17 1.88 -0.08 -0.17 0.00 0.00 175.17 177.07 1uf5 h GLU 61 N 8.32 0.48 -0.63 4.34 4.81 -1.99 -2.27 114.58 127.64 1uf5 h GLU 61 Ca -0.33 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 58.73 1uf5 h GLU 61 Cb 1.15 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 1uf5 h GLU 61 CO 0.61 0.53 0.14 0.00 -0.73 0.00 0.00 179.01 179.56 1uf5 h ALA 62 N 1.52 1.05 -0.46 2.92 0.00 -1.99 0.46 119.26 122.76 1uf5 h ALA 62 Ca 0.10 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1uf5 h ALA 62 Cb 0.34 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1uf5 h ALA 62 CO 0.01 0.62 -0.11 1.49 0.00 0.00 0.00 179.25 181.26 1uf5 h GLU 63 N 0.96 0.89 -0.25 0.00 4.81 -1.89 -2.60 114.58 116.50 1uf5 h GLU 63 Ca 0.20 -0.34 -0.02 0.00 -0.13 0.00 0.00 59.36 59.07 1uf5 h GLU 63 Cb 0.36 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1uf5 h GLU 63 CO 0.00 0.99 0.07 1.25 -0.73 0.00 0.00 179.01 180.59 1uf5 h LEU 64 N 0.73 0.37 -2.14 1.64 5.85 -1.07 -2.87 115.31 117.81 1uf5 h LEU 64 Ca 0.12 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.67 1uf5 h LEU 64 Cb 0.66 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1uf5 h LEU 64 CO 0.05 0.48 0.13 0.44 -0.34 0.00 0.00 178.44 179.19 1uf5 h ASP 65 N 0.23 0.00 0.05 1.25 3.45 -0.83 -2.34 116.42 118.24 1uf5 h ASP 65 Ca 0.08 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.54 1uf5 h ASP 65 Cb 0.25 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.02 1uf5 h ASP 65 CO -0.00 0.00 -0.01 0.77 -1.57 0.00 0.00 179.24 178.43 1uf5 h SER 66 N 0.00 0.00 0.09 6.45 4.64 -1.23 -1.51 113.55 121.99 1uf5 h SER 66 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1uf5 h SER 66 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1uf5 h SER 66 CO -0.00 0.01 -0.08 0.49 -0.87 0.00 0.00 176.83 176.38 1uf5 n PHE 67 N -3.37 0.00 -4.05 4.77 3.01 -0.88 -4.91 117.46 112.03 1uf5 n PHE 67 Ca -0.03 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.16 1uf5 n PHE 67 Cb 0.09 -0.05 -0.05 0.00 -0.01 0.00 0.00 39.48 39.46 1uf5 n PHE 67 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1uf5 s TYR 68 N -2.18 3.23 -0.14 1.38 1.51 -0.57 -4.53 117.35 116.05 1uf5 s TYR 68 Ca 0.35 0.03 -0.12 0.00 -1.01 0.00 0.00 57.07 56.32 1uf5 s TYR 68 Cb 0.21 -1.57 -0.05 0.00 -0.11 0.00 0.00 41.96 40.44 1uf5 s TYR 68 CO 0.40 0.52 0.25 -1.21 -1.11 0.00 0.00 175.55 174.40 1uf5 s GLU 69 N -2.97 4.03 0.00 -0.62 0.41 0.13 -4.89 118.70 114.79 1uf5 s GLU 69 Ca 0.31 0.04 0.21 0.00 -0.41 0.00 0.00 54.97 55.12 1uf5 s GLU 69 Cb -0.11 -3.35 0.07 0.00 -1.78 0.00 0.00 34.13 28.96 1uf5 s GLU 69 CO 0.24 0.42 1.07 0.25 -0.49 0.00 0.00 175.26 176.76 1uf5 n THR 70 N 3.00 0.00 -3.55 3.63 -2.24 -1.26 -1.89 114.28 111.97 1uf5 n THR 70 Ca -0.15 -0.38 -0.17 0.00 -2.27 0.00 0.00 64.05 61.08 1uf5 n THR 70 Cb 0.53 1.33 -0.06 0.00 -2.10 0.00 0.00 70.33 70.02 1uf5 n THR 70 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1uf5 s GLU 71 N -2.04 1.02 -0.21 -0.78 -1.05 -1.26 -4.97 118.70 109.41 1uf5 s GLU 71 Ca 0.20 0.16 -0.04 0.00 -0.15 0.00 0.00 54.97 55.15 1uf5 s GLU 71 Cb 0.17 0.48 0.10 0.00 -0.44 0.00 0.00 34.13 34.43 1uf5 s GLU 71 CO 0.40 -0.32 0.24 1.41 0.95 0.00 0.00 175.26 177.94 1uf5 s MET 72 N -1.33 0.21 0.35 -4.83 1.75 -1.26 -3.88 119.30 110.31 1uf5 s MET 72 Ca -0.11 0.26 -0.02 0.00 -1.25 0.00 0.00 55.69 54.57 1uf5 s MET 72 Cb -0.01 -1.08 -0.04 0.00 2.84 0.00 0.00 34.83 36.54 1uf5 s MET 72 CO 0.08 -0.64 0.59 -1.25 -0.65 0.00 0.00 175.02 173.15 1uf5 s PRO 73 N 2.36 3.55 0.51 4.11 0.04 -1.26 -5.10 135.00 139.21 1uf5 s PRO 73 Ca 0.08 -0.11 0.07 0.00 0.04 0.00 0.00 61.00 61.07 1uf5 s PRO 73 Cb -0.16 -2.61 0.09 0.00 0.04 0.00 0.00 34.50 31.87 1uf5 s PRO 73 CO -0.12 0.11 0.70 0.41 0.04 0.00 0.00 177.00 178.13 1uf5 n GLY 74 N -1.56 1.72 0.35 0.56 0.00 -1.25 -4.82 105.19 100.18 1uf5 n GLY 74 Ca -0.03 -2.17 0.12 0.00 0.00 0.00 0.00 46.02 43.94 1uf5 n GLY 74 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1uf5 h PRO 75 N 0.00 0.30 -0.20 1.61 0.11 -2.00 -0.64 132.00 131.19 1uf5 h PRO 75 Ca -0.23 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.66 1uf5 h PRO 75 Cb 1.04 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 32.08 1uf5 h PRO 75 CO 0.32 0.20 -0.64 0.28 -0.21 0.00 0.00 178.00 177.95 1uf5 h VAL 76 N 0.31 1.29 0.00 3.15 2.07 -1.99 -3.27 116.25 117.80 1uf5 h VAL 76 Ca 0.24 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 65.92 1uf5 h VAL 76 Cb 0.54 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1uf5 h VAL 76 CO -0.05 0.59 -0.60 0.58 0.02 0.00 0.00 177.57 178.10 1uf5 h VAL 77 N 0.52 0.00 -0.89 2.57 2.07 -1.87 -3.38 116.25 115.28 1uf5 h VAL 77 Ca -0.02 -0.78 0.21 0.00 0.82 0.00 0.00 66.70 66.94 1uf5 h VAL 77 Cb 1.26 1.44 -0.16 0.00 -1.52 0.00 0.00 31.29 32.30 1uf5 h VAL 77 CO 0.14 0.00 -0.03 -0.09 0.02 0.00 0.00 177.57 177.61 1uf5 h ARG 78 N 0.00 0.05 -1.01 1.57 9.65 -1.17 -1.05 114.38 122.41 1uf5 h ARG 78 Ca 0.00 -0.00 0.26 0.00 -1.10 0.00 0.00 59.98 59.14 1uf5 h ARG 78 Cb 0.89 -0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 29.38 1uf5 h ARG 78 CO 0.00 0.03 0.68 -1.35 2.80 0.00 0.00 179.97 182.13 1uf5 h PRO 79 N 0.05 0.29 -0.54 0.20 0.11 -1.78 -0.66 132.00 129.67 1uf5 h PRO 79 Ca 0.50 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.47 1uf5 h PRO 79 Cb 0.92 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.95 1uf5 h PRO 79 CO -0.83 0.19 -0.13 1.25 -0.21 0.00 0.00 178.00 178.28 1uf5 h LEU 80 N 0.30 1.03 -0.57 2.35 5.85 -1.50 -1.39 115.31 121.38 1uf5 h LEU 80 Ca 0.54 -0.35 -0.13 0.00 0.84 0.00 0.00 57.88 58.78 1uf5 h LEU 80 Cb 1.56 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 1uf5 h LEU 80 CO -0.20 1.15 -0.30 -0.26 -0.34 0.00 0.00 178.44 178.49 1uf5 h PHE 81 N 0.91 0.95 -0.50 1.25 -1.00 -1.22 -1.55 116.94 115.78 1uf5 h PHE 81 Ca 0.14 -0.25 -0.11 0.00 2.81 0.00 0.00 57.97 60.56 1uf5 h PHE 81 Cb 0.70 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 40.02 1uf5 h PHE 81 CO 0.05 1.01 -0.13 0.93 -1.61 0.00 0.00 178.31 178.56 1uf5 h GLU 82 N 0.69 0.95 -0.12 1.51 5.08 -1.23 -2.25 114.58 119.23 1uf5 h GLU 82 Ca 0.08 -0.35 -0.15 0.00 -1.00 0.00 0.00 59.36 57.93 1uf5 h GLU 82 Cb 0.84 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1uf5 h GLU 82 CO 0.07 1.02 -0.59 -0.22 -1.00 0.00 0.00 179.01 178.29 1uf5 h LYS 83 N 0.85 0.38 -0.33 2.33 1.63 -1.16 -1.37 116.57 118.89 1uf5 h LYS 83 Ca 0.13 -0.25 -0.01 0.00 -0.85 0.00 0.00 60.65 59.67 1uf5 h LYS 83 Cb 0.67 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.32 1uf5 h LYS 83 CO 0.05 0.85 0.17 0.00 -3.45 0.00 0.00 179.45 177.08 1uf5 h ALA 84 N 1.09 0.42 -0.42 5.00 0.00 -1.10 -1.05 119.26 123.20 1uf5 h ALA 84 Ca -0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1uf5 h ALA 84 Cb 1.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1uf5 h ALA 84 CO 0.10 -0.04 0.09 0.00 0.00 0.00 0.00 179.25 179.40 1uf5 h ALA 85 N 1.04 0.56 0.04 0.00 0.00 -1.31 0.23 119.26 119.82 1uf5 h ALA 85 Ca 0.11 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1uf5 h ALA 85 Cb 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1uf5 h ALA 85 CO -0.02 0.25 -0.13 1.49 0.00 0.00 0.00 179.25 180.84 1uf5 h GLU 86 N 0.55 -0.23 -0.01 0.00 4.81 -0.98 -2.86 114.58 115.86 1uf5 h GLU 86 Ca 0.13 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1uf5 h GLU 86 Cb 0.34 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1uf5 h GLU 86 CO 0.00 -0.16 -0.11 1.28 -0.73 0.00 0.00 179.01 179.30 1uf5 n LEU 87 N -5.26 0.67 -2.66 1.64 4.77 -0.42 -4.95 117.00 110.79 1uf5 n LEU 87 Ca -0.06 -0.11 -0.12 0.00 -0.03 0.00 0.00 56.01 55.69 1uf5 n LEU 87 Cb 0.18 -0.13 0.06 0.00 -2.33 0.00 0.00 43.42 41.20 1uf5 n LEU 87 CO 0.28 0.12 0.09 0.61 -1.33 0.00 0.00 177.39 177.16 1uf5 n GLY 88 N 1.25 -0.10 2.73 -0.72 0.00 -0.10 -5.03 105.19 103.22 1uf5 n GLY 88 Ca 0.16 -0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 1uf5 n GLY 88 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1uf5 s ILE 89 N -3.24 0.33 0.93 -0.61 2.07 -0.21 -4.70 121.20 115.76 1uf5 s ILE 89 Ca 0.06 -0.12 -0.15 0.00 -1.41 0.00 0.00 60.65 59.03 1uf5 s ILE 89 Cb -0.02 -0.68 0.17 0.00 0.13 0.00 0.00 42.46 42.06 1uf5 s ILE 89 CO 0.50 0.03 1.26 -0.83 -1.91 0.00 0.00 174.94 174.00 1uf5 s GLY 90 N 1.97 1.71 0.20 1.50 0.00 -0.80 -4.53 107.32 107.37 1uf5 s GLY 90 Ca 0.03 -1.00 -0.21 0.00 0.00 0.00 0.00 44.72 43.54 1uf5 s GLY 90 CO -0.06 -0.32 0.60 -0.11 0.00 0.00 0.00 173.10 173.21 1uf5 s PHE 91 N -3.74 -0.31 -0.23 1.90 -0.12 -0.05 -0.94 117.98 114.49 1uf5 s PHE 91 Ca 0.70 -0.01 -0.01 0.00 -0.05 0.00 0.00 56.93 57.57 1uf5 s PHE 91 Cb -0.07 0.53 0.03 0.00 -0.63 0.00 0.00 43.02 42.88 1uf5 s PHE 91 CO 0.52 -0.96 -0.09 1.21 -0.05 0.00 0.00 175.22 175.85 1uf5 s ASN 92 N -2.83 4.08 -0.11 1.98 3.84 -0.72 -0.52 114.94 120.66 1uf5 s ASN 92 Ca 0.06 -0.84 0.02 0.00 0.21 0.00 0.00 52.86 52.31 1uf5 s ASN 92 Cb -0.02 -1.62 -0.01 0.00 -0.55 0.00 0.00 41.25 39.05 1uf5 s ASN 92 CO -0.05 -0.10 -0.17 -0.22 -2.79 0.00 0.00 177.10 173.77 1uf5 s LEU 93 N 1.31 2.49 -0.05 3.21 2.96 -0.72 -0.78 118.68 127.10 1uf5 s LEU 93 Ca 0.01 -0.40 -0.03 0.00 -0.22 0.00 0.00 54.13 53.49 1uf5 s LEU 93 Cb -0.16 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 1uf5 s LEU 93 CO -0.06 0.18 0.12 -0.83 -1.32 0.00 0.00 176.35 174.44 1uf5 s GLY 94 N 0.23 2.09 0.17 7.98 0.00 -1.03 -1.38 107.32 115.37 1uf5 s GLY 94 Ca -0.11 -0.77 -0.24 0.00 0.00 0.00 0.00 44.72 43.60 1uf5 s GLY 94 CO 0.06 -0.60 0.80 -2.52 0.00 0.00 0.00 173.10 170.85 1uf5 s TYR 95 N -1.15 -0.26 -0.17 1.90 -0.85 0.23 -1.18 117.35 115.87 1uf5 s TYR 95 Ca 0.21 -0.05 -0.19 0.00 -0.52 0.00 0.00 57.07 56.52 1uf5 s TYR 95 Cb -0.12 0.63 -0.03 0.00 0.38 0.00 0.00 41.96 42.82 1uf5 s TYR 95 CO 0.11 -0.92 0.52 0.00 -1.52 0.00 0.00 175.55 173.74 1uf5 s ALA 96 N -3.55 3.51 -0.15 9.51 0.00 -1.26 -0.92 121.76 128.90 1uf5 s ALA 96 Ca 0.09 -0.30 -0.03 0.00 0.00 0.00 0.00 51.96 51.71 1uf5 s ALA 96 Cb -0.03 -2.78 -0.03 0.00 0.00 0.00 0.00 23.12 20.29 1uf5 s ALA 96 CO -0.01 -0.29 -0.04 -2.00 0.00 0.00 0.00 175.76 173.41 1uf5 s GLU 97 N 1.30 3.61 -0.20 0.00 2.12 -0.05 0.19 118.70 125.68 1uf5 s GLU 97 Ca 0.26 -0.52 0.02 0.00 0.36 0.00 0.00 54.97 55.08 1uf5 s GLU 97 Cb -0.15 -2.89 0.03 0.00 0.26 0.00 0.00 34.13 31.38 1uf5 s GLU 97 CO 0.10 0.27 -0.17 -1.17 -0.54 0.00 0.00 175.26 173.75 1uf5 s LEU 98 N 0.28 2.47 -0.04 2.70 2.96 -0.79 -1.00 118.68 125.27 1uf5 s LEU 98 Ca -0.03 -0.85 0.01 0.00 -0.22 0.00 0.00 54.13 53.03 1uf5 s LEU 98 Cb -0.14 -1.48 0.02 0.00 0.50 0.00 0.00 46.19 45.09 1uf5 s LEU 98 CO 0.03 -0.06 -0.03 0.54 -1.32 0.00 0.00 176.35 175.51 1uf5 s VAL 99 N 1.25 0.41 -0.26 1.68 0.11 -0.27 -4.50 120.40 118.82 1uf5 s VAL 99 Ca 0.01 -0.06 -0.17 0.00 -2.93 0.00 0.00 61.98 58.83 1uf5 s VAL 99 Cb -0.15 -0.46 -0.03 0.00 -1.53 0.00 0.00 36.38 34.21 1uf5 s VAL 99 CO -0.11 0.19 0.46 -0.69 -3.33 0.00 0.00 175.10 171.63 1uf5 s VAL 100 N 0.90 5.11 -0.03 2.04 1.01 -1.26 -0.59 120.40 127.58 1uf5 s VAL 100 Ca -0.11 0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.63 1uf5 s VAL 100 Cb -0.14 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.49 1uf5 s VAL 100 CO -0.00 0.11 -0.00 -1.61 0.00 0.00 0.00 175.10 173.60 1uf5 s GLU 101 N 2.22 0.35 -1.38 2.72 2.02 -0.37 -4.86 118.70 119.40 1uf5 s GLU 101 Ca 0.19 0.06 -0.08 0.00 0.02 0.00 0.00 54.97 55.16 1uf5 s GLU 101 Cb -0.16 -0.52 0.05 0.00 0.10 0.00 0.00 34.13 33.60 1uf5 s GLU 101 CO 0.09 -0.13 0.54 0.41 0.02 0.00 0.00 175.26 176.19 1uf5 n GLY 102 N 4.15 -0.50 2.17 -1.39 0.00 -1.26 -1.04 105.19 107.32 1uf5 n GLY 102 Ca -0.26 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1uf5 n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uf5 n GLY 103 N -1.31 0.64 3.41 -0.02 0.00 -1.26 -5.03 105.19 101.62 1uf5 n GLY 103 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1uf5 n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uf5 s VAL 104 N -2.49 3.07 -0.76 1.61 1.01 -0.20 -5.05 120.40 117.57 1uf5 s VAL 104 Ca 0.00 -0.68 -0.22 0.00 0.00 0.00 0.00 61.98 61.08 1uf5 s VAL 104 Cb 0.00 -2.26 0.08 0.00 0.00 0.00 0.00 36.38 34.20 1uf5 s VAL 104 CO 0.00 0.54 1.07 -0.54 0.00 0.00 0.00 175.10 176.18 1uf5 s LYS 105 N 0.02 3.28 -0.01 2.72 1.02 -1.26 -1.24 119.74 124.26 1uf5 s LYS 105 Ca -0.04 -1.03 -0.25 0.00 0.02 0.00 0.00 55.97 54.66 1uf5 s LYS 105 Cb -0.14 -4.49 -0.04 0.00 -0.52 0.00 0.00 37.83 32.64 1uf5 s LYS 105 CO 0.04 -1.87 0.78 1.03 -0.92 0.00 0.00 175.35 174.41 1uf5 s ARG 106 N 3.95 4.49 -0.12 1.68 0.52 0.25 -4.93 118.95 124.79 1uf5 s ARG 106 Ca 0.28 1.06 0.03 0.00 -0.52 0.00 0.00 55.73 56.58 1uf5 s ARG 106 Cb -0.12 -3.42 0.00 0.00 0.52 0.00 0.00 34.95 31.94 1uf5 s ARG 106 CO 0.04 0.12 -0.22 1.03 0.02 0.00 0.00 175.30 176.29 1uf5 s ARG 107 N 0.54 3.05 0.09 3.54 0.52 -1.26 -1.11 118.95 124.32 1uf5 s ARG 107 Ca 0.41 -0.86 0.05 0.00 -0.52 0.00 0.00 55.73 54.81 1uf5 s ARG 107 Cb -0.19 -2.39 -0.03 0.00 0.52 0.00 0.00 34.95 32.85 1uf5 s ARG 107 CO 0.22 0.07 -0.13 -0.06 0.02 0.00 0.00 175.30 175.42 1uf5 s PHE 108 N 0.61 1.23 -0.44 -0.53 0.40 -0.17 -1.25 117.98 117.82 1uf5 s PHE 108 Ca -0.12 -0.53 -0.17 0.00 -0.60 0.00 0.00 56.93 55.51 1uf5 s PHE 108 Cb -0.17 -0.67 0.03 0.00 0.51 0.00 0.00 43.02 42.73 1uf5 s PHE 108 CO 0.03 0.07 0.45 1.21 0.70 0.00 0.00 175.22 177.68 1uf5 s ASN 109 N -2.10 6.19 0.28 1.36 3.84 -1.26 -0.87 114.94 122.38 1uf5 s ASN 109 Ca 0.03 -0.82 0.11 0.00 0.21 0.00 0.00 52.86 52.39 1uf5 s ASN 109 Cb -0.07 -2.22 -0.05 0.00 -0.55 0.00 0.00 41.25 38.36 1uf5 s ASN 109 CO 0.02 -0.63 -0.14 -0.89 -2.79 0.00 0.00 177.10 172.67 1uf5 s THR 110 N 2.11 2.71 -0.06 -5.21 2.01 -0.10 -0.60 115.64 116.51 1uf5 s THR 110 Ca 0.11 -2.25 -0.08 0.00 0.31 0.00 0.00 61.69 59.77 1uf5 s THR 110 Cb -0.19 -2.48 0.02 0.00 0.01 0.00 0.00 72.50 69.86 1uf5 s THR 110 CO 0.12 -0.37 0.21 -0.94 -0.69 0.00 0.00 174.62 172.95 1uf5 s SER 111 N -3.57 -0.17 0.08 3.53 1.04 -0.59 -0.60 113.70 113.43 1uf5 s SER 111 Ca 0.31 0.26 0.06 0.00 0.48 0.00 0.00 55.95 57.05 1uf5 s SER 111 Cb -0.05 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.43 1uf5 s SER 111 CO 0.17 -0.19 -0.16 0.27 0.98 0.00 0.00 173.24 174.30 1uf5 s ILE 112 N -0.40 1.33 -0.19 -1.02 -4.36 -0.48 -1.28 121.20 114.80 1uf5 s ILE 112 Ca -0.05 -1.41 -0.06 0.00 -0.26 0.00 0.00 60.65 58.88 1uf5 s ILE 112 Cb -0.03 -1.26 -0.03 0.00 1.25 0.00 0.00 42.46 42.39 1uf5 s ILE 112 CO 0.01 -0.18 0.02 -0.76 0.24 0.00 0.00 174.94 174.28 1uf5 s LEU 113 N -1.83 3.51 -0.09 0.37 1.43 -0.23 -1.75 118.68 120.08 1uf5 s LEU 113 Ca 0.01 -0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.09 1uf5 s LEU 113 Cb -0.10 -1.88 -0.00 0.00 0.03 0.00 0.00 46.19 44.23 1uf5 s LEU 113 CO 0.03 0.13 -0.23 -0.69 0.23 0.00 0.00 176.35 175.82 1uf5 s VAL 114 N 0.64 2.21 0.90 -1.59 1.01 0.32 -0.72 120.40 123.16 1uf5 s VAL 114 Ca 0.01 -0.98 -0.12 0.00 0.00 0.00 0.00 61.98 60.89 1uf5 s VAL 114 Cb -0.14 -1.84 0.18 0.00 0.00 0.00 0.00 36.38 34.58 1uf5 s VAL 114 CO 0.02 0.56 1.24 1.51 0.00 0.00 0.00 175.10 178.43 1uf5 s ASP 115 N 0.20 3.46 0.00 3.32 1.47 -0.21 -0.87 116.67 124.04 1uf5 s ASP 115 Ca -0.14 0.13 0.08 0.00 1.18 0.00 0.00 52.55 53.80 1uf5 s ASP 115 Cb -0.17 -0.27 0.48 0.00 -0.34 0.00 0.00 42.92 42.62 1uf5 s ASP 115 CO 0.07 -2.49 0.90 2.29 0.68 0.00 0.00 175.17 176.61 1uf5 n LYS 116 N -3.52 0.31 -0.03 2.11 2.85 -1.26 -0.72 118.16 117.89 1uf5 n LYS 116 Ca 0.15 0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.50 1uf5 n LYS 116 Cb 0.60 -1.40 0.09 0.00 -0.65 0.00 0.00 35.03 33.67 1uf5 n LYS 116 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1uf5 n SER 117 N -0.90 2.58 0.00 -5.58 7.64 -1.26 -4.10 113.62 111.99 1uf5 n SER 117 Ca 0.06 -1.76 0.00 0.00 1.01 0.00 0.00 58.87 58.18 1uf5 n SER 117 Cb 0.03 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 1uf5 n SER 117 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uf5 n GLY 118 N 1.00 0.48 3.86 0.23 0.00 0.11 -4.60 105.19 106.26 1uf5 n GLY 118 Ca 0.11 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 1uf5 n GLY 118 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1uf5 s LYS 119 N -0.79 3.57 -0.26 1.61 2.20 -1.26 -4.85 119.74 119.96 1uf5 s LYS 119 Ca 0.00 -0.06 -0.29 0.00 -0.36 0.00 0.00 55.97 55.26 1uf5 s LYS 119 Cb 0.00 -3.22 -0.00 0.00 -1.51 0.00 0.00 37.83 33.10 1uf5 s LYS 119 CO 0.00 0.72 1.29 0.42 -0.36 0.00 0.00 175.35 177.43 1uf5 s ILE 120 N -0.91 4.18 -0.13 5.43 1.01 -1.26 -1.04 121.20 128.48 1uf5 s ILE 120 Ca 0.16 1.36 0.09 0.00 0.00 0.00 0.00 60.65 62.26 1uf5 s ILE 120 Cb -0.13 -4.10 -0.23 0.00 0.01 0.00 0.00 42.46 38.01 1uf5 s ILE 120 CO 0.05 -0.37 0.32 0.52 0.00 0.00 0.00 174.94 175.46 1uf5 n VAL 121 N 5.97 1.56 -3.45 2.92 0.31 0.10 -4.97 118.33 120.77 1uf5 n VAL 121 Ca 0.15 -0.76 -0.11 0.00 -0.01 0.00 0.00 64.34 63.60 1uf5 n VAL 121 Cb 0.46 -1.04 -0.02 0.00 -0.91 0.00 0.00 33.84 32.33 1uf5 n VAL 121 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1uf5 s GLY 122 N -5.49 -0.57 0.12 2.92 0.00 -1.19 -4.98 107.32 98.14 1uf5 s GLY 122 Ca -0.13 0.60 0.06 0.00 0.00 0.00 0.00 44.72 45.25 1uf5 s GLY 122 CO 0.79 0.20 -0.14 1.25 0.00 0.00 0.00 173.10 175.19 1uf5 s LYS 123 N -3.60 1.02 -0.04 2.90 2.20 -1.26 -1.07 119.74 119.89 1uf5 s LYS 123 Ca 0.02 -1.23 -0.05 0.00 -0.36 0.00 0.00 55.97 54.35 1uf5 s LYS 123 Cb -0.01 -0.93 0.01 0.00 -1.51 0.00 0.00 37.83 35.39 1uf5 s LYS 123 CO -0.12 0.18 0.13 -0.47 -0.36 0.00 0.00 175.35 174.72 1uf5 s TYR 124 N -2.07 -0.11 -0.14 4.03 5.04 -0.41 -4.90 117.35 118.80 1uf5 s TYR 124 Ca 0.09 0.26 0.02 0.00 -2.44 0.00 0.00 57.07 55.00 1uf5 s TYR 124 Cb -0.05 0.03 0.01 0.00 0.35 0.00 0.00 41.96 42.30 1uf5 s TYR 124 CO 0.03 -0.11 -0.19 1.03 -1.34 0.00 0.00 175.55 174.97 1uf5 s ARG 125 N -0.21 2.69 -0.39 4.97 0.52 -1.26 -1.54 118.95 123.72 1uf5 s ARG 125 Ca -0.03 -0.73 -0.43 0.00 -0.52 0.00 0.00 55.73 54.02 1uf5 s ARG 125 Cb -0.02 -2.26 -0.17 0.00 0.52 0.00 0.00 34.95 33.02 1uf5 s ARG 125 CO 0.00 -0.08 1.78 1.17 0.02 0.00 0.00 175.30 178.19 1uf5 n LYS 126 N 4.28 0.58 0.02 3.54 4.81 0.23 -3.68 118.16 127.94 1uf5 n LYS 126 Ca -0.19 0.21 -0.18 0.00 -0.87 0.00 0.00 58.31 57.27 1uf5 n LYS 126 Cb 0.51 -1.84 -0.14 0.00 0.02 0.00 0.00 35.03 33.58 1uf5 n LYS 126 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1uf5 h ILE 127 N 5.52 0.81 -3.13 3.15 2.04 -1.90 0.14 117.51 124.13 1uf5 h ILE 127 Ca -0.40 -2.53 -0.75 0.00 1.00 0.00 0.00 64.86 62.19 1uf5 h ILE 127 Cb 1.35 2.56 -0.23 0.00 -0.74 0.00 0.00 36.82 39.76 1uf5 h ILE 127 CO 0.99 0.79 -0.03 -1.00 0.00 0.00 0.00 178.15 178.90 1uf5 s HIS 128 N -2.58 3.26 -0.31 1.37 3.76 -1.26 -4.52 115.29 115.01 1uf5 s HIS 128 Ca -0.15 -1.32 -0.19 0.00 -0.15 0.00 0.00 55.06 53.25 1uf5 s HIS 128 Cb 0.07 -3.88 -0.01 0.00 1.11 0.00 0.00 32.58 29.86 1uf5 s HIS 128 CO 0.81 -1.11 0.56 -0.51 -0.85 0.00 0.00 174.74 173.63 1uf5 s LEU 129 N 1.72 4.18 0.00 0.89 1.43 -1.26 -4.44 118.68 121.20 1uf5 s LEU 129 Ca 0.09 0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 53.44 1uf5 s LEU 129 Cb -0.24 -2.70 0.14 0.00 0.03 0.00 0.00 46.19 43.42 1uf5 s LEU 129 CO 0.01 -0.43 0.88 -0.81 0.23 0.00 0.00 176.35 176.24 1uf5 n PRO 130 N 5.75 -0.32 0.00 1.29 -0.04 -1.26 -4.78 135.00 135.64 1uf5 n PRO 130 Ca -0.03 -1.99 0.00 0.00 -0.04 0.00 0.00 63.50 61.43 1uf5 n PRO 130 Cb 0.49 -0.71 0.00 0.00 -0.04 0.00 0.00 33.50 33.24 1uf5 n PRO 130 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uf5 n GLY 131 N -1.38 0.55 3.34 0.55 0.00 -1.26 -3.83 105.19 103.17 1uf5 n GLY 131 Ca 0.13 -1.10 -0.14 0.00 0.00 0.00 0.00 46.02 44.91 1uf5 n GLY 131 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1uf5 s HIS 132 N 0.00 1.19 -0.06 1.61 -3.43 -0.79 -4.92 115.29 108.88 1uf5 s HIS 132 Ca 0.00 -1.35 0.13 0.00 -0.80 0.00 0.00 55.06 53.04 1uf5 s HIS 132 Cb 0.00 -0.39 -0.19 0.00 -1.43 0.00 0.00 32.58 30.57 1uf5 s HIS 132 CO 0.00 -0.87 0.19 1.17 -2.00 0.00 0.00 174.74 173.23 1uf5 n LYS 133 N -0.45 1.07 -4.38 -0.38 4.81 -1.26 -3.11 118.16 114.46 1uf5 n LYS 133 Ca 0.03 -0.07 -0.29 0.00 -0.87 0.00 0.00 58.31 57.10 1uf5 n LYS 133 Cb 0.63 -1.32 -0.13 0.00 0.02 0.00 0.00 35.03 34.23 1uf5 n LYS 133 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1uf5 s GLU 134 N -2.67 1.46 0.21 1.64 0.41 -1.26 -4.50 118.70 113.99 1uf5 s GLU 134 Ca -0.06 -1.32 -0.32 0.00 -0.41 0.00 0.00 54.97 52.86 1uf5 s GLU 134 Cb 0.07 -1.93 -0.14 0.00 -1.78 0.00 0.00 34.13 30.34 1uf5 s GLU 134 CO 0.54 0.45 1.34 0.98 -0.49 0.00 0.00 175.26 178.09 1uf5 n TYR 135 N 0.88 1.88 -3.92 1.61 9.36 -1.26 -4.97 117.16 120.75 1uf5 n TYR 135 Ca -0.18 0.51 -0.30 0.00 3.32 0.00 0.00 57.90 61.25 1uf5 n TYR 135 Cb 0.53 -2.40 -0.15 0.00 -0.63 0.00 0.00 39.34 36.68 1uf5 n TYR 135 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1uf5 s GLU 136 N -0.31 1.50 0.48 2.98 2.02 -1.26 -5.03 118.70 119.08 1uf5 s GLU 136 Ca 0.71 -1.07 0.20 0.00 0.02 0.00 0.00 54.97 54.83 1uf5 s GLU 136 Cb -0.72 -2.58 1.21 0.00 0.10 0.00 0.00 34.13 32.14 1uf5 s GLU 136 CO 0.50 -0.67 1.98 0.00 0.02 0.00 0.00 175.26 177.09 1uf5 h ALA 137 N 7.94 2.27 0.00 5.21 0.00 -2.01 -2.43 119.26 130.23 1uf5 h ALA 137 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1uf5 h ALA 137 Cb 1.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1uf5 h ALA 137 CO 0.43 -0.42 0.00 2.48 0.00 0.00 0.00 179.25 181.73 1uf5 n TYR 138 N -4.43 0.34 -3.10 0.00 4.11 -1.26 -4.74 117.16 108.07 1uf5 n TYR 138 Ca 0.11 0.13 -0.39 0.00 -0.00 0.00 0.00 57.90 57.75 1uf5 n TYR 138 Cb 0.51 -0.72 -0.06 0.00 -0.00 0.00 0.00 39.34 39.08 1uf5 n TYR 138 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 1uf5 s ARG 139 N -3.14 4.40 0.45 -3.48 0.52 -0.92 -4.95 118.95 111.84 1uf5 s ARG 139 Ca 0.06 0.94 0.25 0.00 -0.52 0.00 0.00 55.73 56.46 1uf5 s ARG 139 Cb 0.09 -3.29 0.86 0.00 0.52 0.00 0.00 34.95 33.12 1uf5 s ARG 139 CO 0.31 0.48 1.79 -1.00 0.02 0.00 0.00 175.30 176.91 1uf5 h PRO 140 N 4.94 0.00 -2.64 3.54 0.13 -1.89 -3.44 132.00 132.64 1uf5 h PRO 140 Ca -0.47 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.57 1uf5 h PRO 140 Cb 1.21 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.13 1uf5 h PRO 140 CO 0.67 0.17 -0.12 -0.59 -0.23 0.00 0.00 178.00 177.91 1uf5 s PHE 141 N -3.52 -0.39 0.72 1.56 -0.12 -1.26 -5.14 117.98 109.83 1uf5 s PHE 141 Ca 0.02 0.73 -0.05 0.00 -0.05 0.00 0.00 56.93 57.58 1uf5 s PHE 141 Cb 0.09 0.20 0.10 0.00 -0.63 0.00 0.00 43.02 42.78 1uf5 s PHE 141 CO 0.63 -0.43 1.02 -0.65 -0.05 0.00 0.00 175.22 175.74 1uf5 s GLN 142 N -0.96 1.85 -0.43 1.99 -1.52 -0.63 -5.00 119.66 114.96 1uf5 s GLN 142 Ca -0.10 -0.63 0.08 0.00 -1.95 0.00 0.00 55.36 52.76 1uf5 s GLN 142 Cb -0.03 -2.22 0.28 0.00 -0.22 0.00 0.00 33.01 30.82 1uf5 s GLN 142 CO 0.05 -1.40 0.80 1.58 -0.25 0.00 0.00 175.29 176.07 1uf5 n HIS 143 N -2.93 -1.69 -0.68 0.91 -0.00 -1.20 -3.82 115.22 105.80 1uf5 n HIS 143 Ca 0.11 -2.76 -0.06 0.00 0.46 0.00 0.00 57.72 55.47 1uf5 n HIS 143 Cb 0.60 0.64 -0.03 0.00 -0.12 0.00 0.00 29.99 31.08 1uf5 n HIS 143 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1uf5 n LEU 144 N 1.03 5.54 0.02 0.27 4.77 -0.32 -1.89 117.00 126.41 1uf5 n LEU 144 Ca 0.15 -2.74 0.01 0.00 -0.03 0.00 0.00 56.01 53.40 1uf5 n LEU 144 Cb 0.62 -1.17 0.33 0.00 -2.33 0.00 0.00 43.42 40.87 1uf5 n LEU 144 CO 0.11 1.19 0.96 -0.33 -1.33 0.00 0.00 177.39 178.00 1uf5 h GLU 145 N 1.49 0.49 0.00 3.23 5.08 -1.71 -1.13 114.58 122.03 1uf5 h GLU 145 Ca 0.09 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1uf5 h GLU 145 Cb 1.07 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 1uf5 h GLU 145 CO 0.18 0.50 -0.06 0.87 -1.00 0.00 0.00 179.01 179.50 1uf5 h LYS 146 N 0.47 0.00 0.13 2.33 1.57 -1.64 -1.27 116.57 118.16 1uf5 h LYS 146 Ca 0.11 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.54 1uf5 h LYS 146 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1uf5 h LYS 146 CO 0.01 0.06 -1.83 -0.09 -0.57 0.00 0.00 179.45 177.03 1uf5 h ARG 147 N 0.00 0.27 -0.01 3.15 2.43 -1.35 -3.39 114.38 115.48 1uf5 h ARG 147 Ca -0.00 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1uf5 h ARG 147 Cb 0.48 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1uf5 h ARG 147 CO 0.01 1.15 -0.22 0.66 -1.51 0.00 0.00 179.97 180.05 1uf5 n TYR 148 N -3.46 0.00 -3.90 2.20 0.53 -0.53 -4.94 117.16 107.06 1uf5 n TYR 148 Ca -0.26 0.00 -0.09 0.00 -1.02 0.00 0.00 57.90 56.53 1uf5 n TYR 148 Cb 1.06 -0.05 -0.08 0.00 -1.03 0.00 0.00 39.34 39.23 1uf5 n TYR 148 CO 0.00 0.00 0.00 -0.06 -1.02 0.00 0.00 176.86 175.78 1uf5 s PHE 149 N -2.33 0.19 0.13 -0.72 0.40 -0.49 -4.66 117.98 110.50 1uf5 s PHE 149 Ca 0.26 -0.58 0.09 0.00 -0.60 0.00 0.00 56.93 56.10 1uf5 s PHE 149 Cb 0.19 -0.11 -0.04 0.00 0.51 0.00 0.00 43.02 43.57 1uf5 s PHE 149 CO 0.47 -0.47 -0.15 -1.83 0.70 0.00 0.00 175.22 173.93 1uf5 s GLU 150 N -3.43 1.89 0.30 0.44 -1.05 -0.38 -4.58 118.70 111.89 1uf5 s GLU 150 Ca 0.02 -1.17 -0.28 0.00 -0.15 0.00 0.00 54.97 53.38 1uf5 s GLU 150 Cb 0.03 -2.15 -0.13 0.00 -0.44 0.00 0.00 34.13 31.44 1uf5 s GLU 150 CO -0.09 0.48 1.16 -2.30 0.95 0.00 0.00 175.26 175.46 1uf5 n PRO 151 N 0.64 1.71 -1.39 -4.83 -0.02 -1.26 -4.72 135.00 125.12 1uf5 n PRO 151 Ca -0.14 0.60 -0.37 0.00 -2.02 0.00 0.00 63.50 61.57 1uf5 n PRO 151 Cb 0.53 -2.08 0.06 0.00 -0.02 0.00 0.00 33.50 31.99 1uf5 n PRO 151 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uf5 n GLY 152 N 1.14 -1.08 0.34 -1.23 0.00 0.50 -4.94 105.19 99.92 1uf5 n GLY 152 Ca 0.08 -0.28 0.08 0.00 0.00 0.00 0.00 46.02 45.89 1uf5 n GLY 152 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1uf5 n ASP 153 N -0.50 2.09 -0.14 1.61 5.75 -1.26 -4.63 116.55 119.47 1uf5 n ASP 153 Ca 0.12 -3.47 0.02 0.00 -0.01 0.00 0.00 54.79 51.45 1uf5 n ASP 153 Cb 0.49 -0.48 0.02 0.00 -1.03 0.00 0.00 41.12 40.12 1uf5 n ASP 153 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1uf5 n LEU 154 N -1.28 1.45 0.00 -2.12 4.77 -1.26 -5.09 117.00 113.47 1uf5 n LEU 154 Ca 0.18 -1.18 0.00 0.00 -0.03 0.00 0.00 56.01 54.98 1uf5 n LEU 154 Cb 0.67 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 1uf5 n LEU 154 CO -0.01 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1uf5 n GLY 155 N 0.11 -0.08 3.00 -0.72 0.00 -1.26 -4.22 105.19 102.03 1uf5 n GLY 155 Ca 0.02 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.72 1uf5 n GLY 155 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1uf5 s PHE 156 N 0.00 3.73 0.61 1.61 0.40 -1.26 -4.75 117.98 118.31 1uf5 s PHE 156 Ca 0.00 -3.19 -0.14 0.00 -0.60 0.00 0.00 56.93 53.00 1uf5 s PHE 156 Cb 0.00 -2.97 -0.03 0.00 0.51 0.00 0.00 43.02 40.53 1uf5 s PHE 156 CO 0.00 -0.64 1.04 -1.25 0.70 0.00 0.00 175.22 175.07 1uf5 s PRO 157 N -1.39 3.40 -0.10 0.24 0.04 -1.26 -4.52 135.00 131.40 1uf5 s PRO 157 Ca 0.26 1.00 0.03 0.00 0.04 0.00 0.00 61.00 62.32 1uf5 s PRO 157 Cb -0.06 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.44 1uf5 s PRO 157 CO -0.14 -0.73 -0.18 0.08 0.04 0.00 0.00 177.00 176.06 1uf5 s VAL 158 N -2.79 1.69 0.23 -0.36 1.01 -1.26 -4.15 120.40 114.77 1uf5 s VAL 158 Ca 0.59 -0.78 0.10 0.00 0.00 0.00 0.00 61.98 61.89 1uf5 s VAL 158 Cb -0.13 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1uf5 s VAL 158 CO 0.44 0.48 -0.10 -0.31 0.00 0.00 0.00 175.10 175.61 1uf5 s TYR 159 N 0.72 2.55 -0.40 5.22 1.51 0.18 -4.90 117.35 122.24 1uf5 s TYR 159 Ca -0.11 -0.26 -0.21 0.00 -1.01 0.00 0.00 57.07 55.47 1uf5 s TYR 159 Cb -0.16 -1.18 0.01 0.00 -0.11 0.00 0.00 41.96 40.53 1uf5 s TYR 159 CO 0.02 0.59 0.69 -0.51 -1.11 0.00 0.00 175.55 175.23 1uf5 s ASP 160 N -3.26 6.42 -0.30 2.29 -0.00 -1.26 -0.26 116.67 120.30 1uf5 s ASP 160 Ca 0.28 0.01 0.03 0.00 -0.00 0.00 0.00 52.55 52.87 1uf5 s ASP 160 Cb -0.07 -2.35 0.08 0.00 -0.00 0.00 0.00 42.92 40.58 1uf5 s ASP 160 CO 0.16 -0.72 -0.02 -0.69 -0.00 0.00 0.00 175.17 173.90 1uf5 s VAL 161 N 2.91 2.07 -1.33 -1.27 1.01 0.63 -4.78 120.40 119.64 1uf5 s VAL 161 Ca 0.26 -1.90 -0.04 0.00 0.00 0.00 0.00 61.98 60.30 1uf5 s VAL 161 Cb -0.14 -2.38 -0.00 0.00 0.00 0.00 0.00 36.38 33.86 1uf5 s VAL 161 CO 0.18 -0.34 0.56 0.47 0.00 0.00 0.00 175.10 175.97 1uf5 n ASP 162 N 4.40 -1.45 -0.45 3.32 8.00 -1.26 -1.56 116.55 127.55 1uf5 n ASP 162 Ca -0.05 -0.96 -0.06 0.00 0.71 0.00 0.00 54.79 54.44 1uf5 n ASP 162 Cb 0.42 -3.39 -0.03 0.00 -0.02 0.00 0.00 41.12 38.11 1uf5 n ASP 162 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uf5 n ALA 163 N -4.32 -0.09 -2.89 2.24 0.00 -1.26 -5.00 120.51 109.18 1uf5 n ALA 163 Ca -0.27 0.10 -0.29 0.00 0.00 0.00 0.00 53.44 52.98 1uf5 n ALA 163 Cb 0.67 -1.11 -0.16 0.00 0.00 0.00 0.00 19.45 18.85 1uf5 n ALA 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uf5 s ALA 164 N -1.95 1.81 -0.40 0.00 0.00 -0.60 -5.09 121.76 115.53 1uf5 s ALA 164 Ca 0.00 -0.84 -0.25 0.00 0.00 0.00 0.00 51.96 50.87 1uf5 s ALA 164 Cb 0.00 -0.60 0.02 0.00 0.00 0.00 0.00 23.12 22.54 1uf5 s ALA 164 CO 0.00 0.32 0.91 0.15 0.00 0.00 0.00 175.76 177.15 1uf5 s LYS 165 N 0.02 3.72 -0.05 0.00 -0.14 -1.26 -0.27 119.74 121.75 1uf5 s LYS 165 Ca -0.06 0.39 0.06 0.00 -1.36 0.00 0.00 55.97 55.01 1uf5 s LYS 165 Cb -0.13 -3.85 -0.01 0.00 -1.68 0.00 0.00 37.83 32.15 1uf5 s LYS 165 CO 0.03 -1.04 -0.24 -1.64 -0.76 0.00 0.00 175.35 171.70 1uf5 s MET 166 N 3.55 2.49 0.17 1.68 -1.94 0.64 -0.59 119.30 125.30 1uf5 s MET 166 Ca 0.37 -0.89 0.10 0.00 -1.71 0.00 0.00 55.69 53.56 1uf5 s MET 166 Cb -0.11 -2.17 -0.04 0.00 2.01 0.00 0.00 34.83 34.51 1uf5 s MET 166 CO 0.21 0.43 -0.17 0.20 -0.01 0.00 0.00 175.02 175.69 1uf5 s GLY 167 N -0.28 1.71 0.07 -0.03 0.00 0.33 -0.65 107.32 108.47 1uf5 s GLY 167 Ca 0.00 -1.51 0.08 0.00 0.00 0.00 0.00 44.72 43.30 1uf5 s GLY 167 CO 0.03 -1.52 -0.20 1.06 0.00 0.00 0.00 173.10 172.47 1uf5 s MET 168 N -2.60 1.90 0.09 2.90 -1.94 -1.26 -1.33 119.30 117.06 1uf5 s MET 168 Ca 0.22 -1.08 0.02 0.00 -1.71 0.00 0.00 55.69 53.13 1uf5 s MET 168 Cb -0.09 -2.11 -0.04 0.00 2.01 0.00 0.00 34.83 34.60 1uf5 s MET 168 CO 0.12 0.51 -0.07 -0.59 -0.01 0.00 0.00 175.02 174.98 1uf5 s PHE 169 N -0.97 0.89 -0.12 -0.03 -0.12 -0.70 -4.91 117.98 112.02 1uf5 s PHE 169 Ca 0.15 -0.84 -0.01 0.00 -0.05 0.00 0.00 56.93 56.18 1uf5 s PHE 169 Cb -0.10 -0.51 0.03 0.00 -0.63 0.00 0.00 43.02 41.81 1uf5 s PHE 169 CO 0.06 -0.12 -0.05 0.42 -0.05 0.00 0.00 175.22 175.48 1uf5 s ILE 170 N -3.26 0.89 0.00 -4.49 1.01 -1.26 -4.02 121.20 110.08 1uf5 s ILE 170 Ca 0.09 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.43 1uf5 s ILE 170 Cb 0.03 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.49 1uf5 s ILE 170 CO -0.04 0.26 0.00 0.00 0.00 0.00 0.00 174.94 175.16 1uf5 n ALA 171 N 4.97 0.00 -0.46 9.38 0.00 0.14 -1.30 120.51 133.25 1uf5 n ALA 171 Ca -0.11 0.00 0.39 0.00 0.00 0.00 0.00 53.44 53.72 1uf5 n ALA 171 Cb 0.49 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.66 1uf5 n ALA 171 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1uf5 h ASN 172 N 0.00 0.11 -0.96 0.00 -0.73 -1.87 -0.12 115.58 112.01 1uf5 h ASN 172 Ca 0.00 0.04 0.21 0.00 1.87 0.00 0.00 56.30 58.42 1uf5 h ASN 172 Cb 0.00 0.03 -0.08 0.00 0.27 0.00 0.00 38.32 38.54 1uf5 h ASN 172 CO 0.00 -0.03 0.62 0.44 -0.37 0.00 0.00 177.43 178.09 1uf5 h ASP 173 N 0.07 0.53 0.00 1.15 3.32 -1.41 -1.53 116.42 118.55 1uf5 h ASP 173 Ca 0.73 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.84 1uf5 h ASP 173 Cb 2.67 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 42.19 1uf5 h ASP 173 CO -0.13 0.19 0.00 0.08 -1.72 0.00 0.00 179.24 177.66 1uf5 h ARG 174 N 0.51 0.00 -0.01 3.56 0.11 -1.23 -1.41 114.38 115.92 1uf5 h ARG 174 Ca 0.52 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.60 1uf5 h ARG 174 Cb 1.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.22 1uf5 h ARG 174 CO -0.25 0.00 -0.27 0.54 0.10 0.00 0.00 179.97 180.09 1uf5 n ARG 175 N -2.57 0.72 -3.64 0.08 1.74 -0.57 -4.63 116.66 107.79 1uf5 n ARG 175 Ca -0.02 -0.40 -0.39 0.00 -0.77 0.00 0.00 57.85 56.26 1uf5 n ARG 175 Cb 0.05 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 29.88 1uf5 n ARG 175 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1uf5 s TRP 176 N -2.56 3.21 0.55 -1.55 0.52 -0.53 -4.97 118.94 113.60 1uf5 s TRP 176 Ca 0.23 -0.79 0.26 0.00 0.02 0.00 0.00 56.10 55.82 1uf5 s TRP 176 Cb 0.19 -2.39 1.45 0.00 -1.15 0.00 0.00 33.47 31.57 1uf5 s TRP 176 CO 0.54 -0.56 2.01 -1.00 0.02 0.00 0.00 176.95 177.96 1uf5 h PRO 177 N 8.38 0.00 -0.74 4.98 0.13 -1.87 -1.91 132.00 140.98 1uf5 h PRO 177 Ca -0.29 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.82 1uf5 h PRO 177 Cb 1.12 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.22 1uf5 h PRO 177 CO 0.64 0.00 0.38 0.93 -0.23 0.00 0.00 178.00 179.72 1uf5 h GLU 178 N 0.00 1.04 -0.02 0.86 3.07 -1.93 0.24 114.58 117.84 1uf5 h GLU 178 Ca 0.20 -0.13 -0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1uf5 h GLU 178 Cb 0.89 -0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 28.60 1uf5 h GLU 178 CO -0.00 0.79 0.01 0.00 -1.40 0.00 0.00 179.01 178.41 1uf5 h ALA 179 N 1.19 0.03 -0.28 3.43 0.00 -1.64 -1.42 119.26 120.58 1uf5 h ALA 179 Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1uf5 h ALA 179 Cb 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1uf5 h ALA 179 CO -0.04 -0.45 0.18 -1.49 0.00 0.00 0.00 179.25 177.45 1uf5 h TRP 180 N -0.01 0.37 -0.76 0.00 4.06 -1.51 -2.95 115.95 115.16 1uf5 h TRP 180 Ca 0.01 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.92 1uf5 h TRP 180 Cb 0.04 -0.12 -0.03 0.00 -1.00 0.00 0.00 29.16 28.04 1uf5 h TRP 180 CO -0.06 0.26 0.32 -0.09 -3.56 0.00 0.00 178.44 175.30 1uf5 h ARG 181 N 0.37 1.12 -0.59 0.49 9.65 -0.79 0.93 114.38 125.56 1uf5 h ARG 181 Ca 0.10 -0.19 -0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1uf5 h ARG 181 Cb -0.01 -0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 28.35 1uf5 h ARG 181 CO -0.02 0.90 0.36 0.28 2.80 0.00 0.00 179.97 184.29 1uf5 h VAL 182 N 1.08 1.17 -0.02 0.20 2.07 -1.22 0.12 116.25 119.66 1uf5 h VAL 182 Ca 0.25 -0.37 -0.12 0.00 0.82 0.00 0.00 66.70 67.28 1uf5 h VAL 182 Cb 0.18 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1uf5 h VAL 182 CO -0.02 0.17 -0.57 0.24 0.02 0.00 0.00 177.57 177.41 1uf5 h MET 183 N 0.80 0.07 -0.48 1.57 2.86 -1.31 -2.43 114.93 116.00 1uf5 h MET 183 Ca 0.21 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.71 1uf5 h MET 183 Cb -0.03 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 1uf5 h MET 183 CO -0.04 0.62 -0.11 0.78 1.06 0.00 0.00 176.91 179.22 1uf5 h GLY 184 N 1.63 1.00 2.00 8.32 0.00 -0.18 -1.51 103.07 114.34 1uf5 h GLY 184 Ca -0.00 -0.82 -0.01 0.00 0.00 0.00 0.00 47.33 46.49 1uf5 h GLY 184 CO 0.08 0.75 -0.07 1.41 0.00 0.00 0.00 176.54 178.71 1uf5 h LEU 185 N 0.78 0.00 -1.30 3.11 3.38 -0.56 -0.99 115.31 119.73 1uf5 h LEU 185 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1uf5 h LEU 185 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1uf5 h LEU 185 CO 0.05 0.07 0.00 0.54 0.09 0.00 0.00 178.44 179.18 1uf5 n ARG 186 N -3.30 1.84 -0.87 1.13 1.74 -0.90 -4.93 116.66 111.37 1uf5 n ARG 186 Ca -0.01 -1.28 0.00 0.00 -0.77 0.00 0.00 57.85 55.79 1uf5 n ARG 186 Cb 0.25 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 1uf5 n ARG 186 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uf5 n GLY 187 N 1.15 0.46 3.70 -0.13 0.00 -0.37 -4.94 105.19 105.06 1uf5 n GLY 187 Ca 0.15 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 1uf5 n GLY 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uf5 n ALA 188 N 0.60 1.74 -0.06 4.61 0.00 -0.62 -4.83 120.51 121.94 1uf5 n ALA 188 Ca 0.00 0.39 -0.04 0.00 0.00 0.00 0.00 53.44 53.79 1uf5 n ALA 188 Cb 0.00 -2.36 -0.13 0.00 0.00 0.00 0.00 19.45 16.96 1uf5 n ALA 188 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1uf5 n GLU 189 N 2.01 1.17 -4.19 0.00 1.02 0.24 -4.73 120.64 116.16 1uf5 n GLU 189 Ca 0.10 -0.04 -0.20 0.00 -0.02 0.00 0.00 57.16 57.00 1uf5 n GLU 189 Cb 0.34 -1.42 -0.16 0.00 -0.02 0.00 0.00 31.44 30.18 1uf5 n GLU 189 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1uf5 s ILE 190 N -2.57 0.55 -0.17 -3.67 1.01 -0.77 -0.79 121.20 114.79 1uf5 s ILE 190 Ca -0.08 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.43 1uf5 s ILE 190 Cb 0.06 -0.56 0.02 0.00 0.01 0.00 0.00 42.46 41.99 1uf5 s ILE 190 CO 0.68 0.22 -0.17 -0.63 0.00 0.00 0.00 174.94 175.04 1uf5 s ILE 191 N 0.79 1.84 0.09 2.92 1.01 -0.16 -0.51 121.20 127.19 1uf5 s ILE 191 Ca -0.11 -0.85 -0.01 0.00 0.00 0.00 0.00 60.65 59.69 1uf5 s ILE 191 Cb -0.14 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 1uf5 s ILE 191 CO 0.00 0.46 0.01 0.00 0.00 0.00 0.00 174.94 175.41 1uf5 n GLY 193 N 0.01 -1.27 3.58 0.00 0.00 -0.84 -1.72 105.19 104.94 1uf5 n GLY 193 Ca -0.10 -0.95 -0.28 0.00 0.00 0.00 0.00 46.02 44.69 1uf5 n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uf5 s GLY 194 N 0.00 2.80 0.03 -0.02 0.00 -1.26 -1.09 107.32 107.79 1uf5 s GLY 194 Ca 0.00 -0.92 -0.27 0.00 0.00 0.00 0.00 44.72 43.53 1uf5 s GLY 194 CO 0.00 -1.91 0.72 -2.52 0.00 0.00 0.00 173.10 169.39 1uf5 s TYR 195 N -3.12 -0.52 -0.35 1.90 -0.85 -0.38 0.28 117.35 114.31 1uf5 s TYR 195 Ca 0.18 0.57 0.01 0.00 -0.52 0.00 0.00 57.07 57.31 1uf5 s TYR 195 Cb 0.01 0.50 0.11 0.00 0.38 0.00 0.00 41.96 42.96 1uf5 s TYR 195 CO 0.12 -0.67 0.12 -0.80 -1.52 0.00 0.00 175.55 172.80 1uf5 s ASN 196 N -2.08 4.16 -0.33 -0.18 0.01 -1.26 -1.49 114.94 113.77 1uf5 s ASN 196 Ca -0.02 -1.98 0.04 0.00 -0.71 0.00 0.00 52.86 50.19 1uf5 s ASN 196 Cb -0.01 -1.10 0.10 0.00 0.41 0.00 0.00 41.25 40.64 1uf5 s ASN 196 CO -0.04 -0.38 0.03 -0.89 -1.51 0.00 0.00 177.10 174.31 1uf5 s THR 197 N 1.16 2.26 0.50 1.60 2.01 -1.26 -5.01 115.64 116.91 1uf5 s THR 197 Ca 0.12 -2.26 -0.23 0.00 0.31 0.00 0.00 61.69 59.63 1uf5 s THR 197 Cb -0.19 -2.64 -0.07 0.00 0.01 0.00 0.00 72.50 69.62 1uf5 s THR 197 CO -0.16 -0.53 1.37 -2.65 -0.69 0.00 0.00 174.62 171.96 1uf5 n PRO 198 N 4.27 1.88 0.00 4.92 -0.02 -1.26 -0.12 135.00 144.67 1uf5 n PRO 198 Ca 0.02 0.68 0.15 0.00 -2.02 0.00 0.00 63.50 62.33 1uf5 n PRO 198 Cb 0.42 -2.57 0.75 0.00 -0.02 0.00 0.00 33.50 32.08 1uf5 n PRO 198 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1uf5 n THR 199 N -0.70 0.00 -4.46 3.45 -2.24 -0.48 -4.68 114.28 105.16 1uf5 n THR 199 Ca 0.08 -0.02 -0.34 0.00 -2.27 0.00 0.00 64.05 61.50 1uf5 n THR 199 Cb 0.43 -0.36 -0.12 0.00 -2.10 0.00 0.00 70.33 68.18 1uf5 n THR 199 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1uf5 s HIS 200 N -2.42 3.01 -0.68 4.78 5.65 -1.26 -4.63 115.29 119.73 1uf5 s HIS 200 Ca 0.33 -0.19 -0.02 0.00 0.25 0.00 0.00 55.06 55.42 1uf5 s HIS 200 Cb 0.21 -1.88 0.17 0.00 -1.18 0.00 0.00 32.58 29.90 1uf5 s HIS 200 CO 0.45 0.09 0.51 1.21 -0.65 0.00 0.00 174.74 176.35 1uf5 s ASN 201 N -0.03 5.36 0.22 9.88 3.84 -1.26 -5.00 114.94 127.95 1uf5 s ASN 201 Ca 0.01 -3.06 -0.12 0.00 0.21 0.00 0.00 52.86 49.89 1uf5 s ASN 201 Cb -0.13 -1.86 0.27 0.00 -0.55 0.00 0.00 41.25 38.98 1uf5 s ASN 201 CO 0.03 -0.32 1.63 -0.65 -2.79 0.00 0.00 177.10 175.00 1uf5 h PRO 202 N 6.77 0.03 -0.47 0.43 0.11 -1.97 0.94 132.00 137.84 1uf5 h PRO 202 Ca 0.03 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.08 1uf5 h PRO 202 Cb 0.92 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.00 1uf5 h PRO 202 CO 0.74 0.02 0.09 -1.35 -0.21 0.00 0.00 178.00 177.29 1uf5 h PRO 203 N 0.03 0.73 -2.22 1.05 0.11 -1.97 -3.35 132.00 126.37 1uf5 h PRO 203 Ca 0.32 -0.15 -0.58 0.00 0.11 0.00 0.00 66.00 65.71 1uf5 h PRO 203 Cb 0.51 -0.11 -0.39 0.00 0.11 0.00 0.00 31.00 31.12 1uf5 h PRO 203 CO -0.64 0.68 -0.99 0.28 -0.21 0.00 0.00 178.00 177.11 1uf5 n VAL 204 N -4.28 -0.60 0.34 3.15 0.31 -0.74 -4.97 118.33 111.54 1uf5 n VAL 204 Ca 0.03 -3.89 0.22 0.00 -0.01 0.00 0.00 64.34 60.70 1uf5 n VAL 204 Cb 0.23 -1.85 1.20 0.00 -0.91 0.00 0.00 33.84 32.50 1uf5 n VAL 204 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1uf5 h PRO 205 N 4.76 0.00 0.00 5.55 0.13 -0.99 -1.86 132.00 139.59 1uf5 h PRO 205 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1uf5 h PRO 205 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1uf5 h PRO 205 CO 0.46 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.23 1uf5 n GLN 206 N -3.14 0.59 0.00 0.86 0.00 -1.26 -1.81 117.38 112.62 1uf5 n GLN 206 Ca -0.03 0.00 0.07 0.00 0.00 0.00 0.00 57.00 57.04 1uf5 n GLN 206 Cb 0.07 -1.50 0.05 0.00 0.00 0.00 0.00 30.24 28.87 1uf5 n GLN 206 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1uf5 n HIS 207 N -1.00 0.00 -0.20 2.61 8.25 -0.70 -4.69 115.22 119.50 1uf5 n HIS 207 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 1uf5 n HIS 207 Cb 0.06 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.26 1uf5 n HIS 207 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1uf5 h ASP 208 N 2.59 -0.31 0.16 0.41 5.19 -1.52 0.12 116.42 123.07 1uf5 h ASP 208 Ca 0.00 0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 1uf5 h ASP 208 Cb 0.56 0.28 0.00 0.00 0.18 0.00 0.00 39.33 40.35 1uf5 h ASP 208 CO 0.00 -0.12 0.00 0.00 -3.12 0.00 0.00 179.24 176.00 1uf5 n HIS 209 N -5.29 0.00 0.09 4.55 1.44 -1.26 -2.12 115.22 112.62 1uf5 n HIS 209 Ca 0.08 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.88 1uf5 n HIS 209 Cb 0.34 -0.16 0.18 0.00 0.12 0.00 0.00 29.99 30.46 1uf5 n HIS 209 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1uf5 n LEU 210 N -1.16 3.07 -0.13 2.39 4.77 0.02 -4.68 117.00 121.28 1uf5 n LEU 210 Ca 0.10 -1.64 -0.04 0.00 -0.03 0.00 0.00 56.01 54.40 1uf5 n LEU 210 Cb 0.09 -0.23 0.04 0.00 -2.33 0.00 0.00 43.42 41.00 1uf5 n LEU 210 CO 0.11 0.70 0.90 0.74 -1.33 0.00 0.00 177.39 178.51 1uf5 h THR 211 N 3.22 0.77 -0.17 -5.08 2.02 -1.39 0.19 112.91 112.47 1uf5 h THR 211 Ca 0.00 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 1uf5 h THR 211 Cb 0.81 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1uf5 h THR 211 CO 0.00 0.04 0.02 -1.28 0.37 0.00 0.00 175.52 174.66 1uf5 h SER 212 N 0.20 0.27 -0.40 4.18 0.87 -1.85 -2.67 113.55 114.16 1uf5 h SER 212 Ca 0.21 -0.28 0.08 0.00 -1.23 0.00 0.00 61.79 60.57 1uf5 h SER 212 Cb 0.26 -0.07 -0.08 0.00 -0.44 0.00 0.00 62.40 62.07 1uf5 h SER 212 CO -0.28 0.48 -0.10 0.15 -0.53 0.00 0.00 176.83 176.55 1uf5 h PHE 213 N 0.05 -0.21 -0.47 2.24 3.57 -1.74 -0.20 116.94 120.17 1uf5 h PHE 213 Ca 0.05 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 1uf5 h PHE 213 Cb 0.33 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 1uf5 h PHE 213 CO 0.02 -0.17 0.00 0.45 -2.23 0.00 0.00 178.31 176.38 1uf5 h HIS 214 N -0.00 0.83 0.08 0.41 3.86 -0.97 0.13 115.15 119.48 1uf5 h HIS 214 Ca 0.19 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1uf5 h HIS 214 Cb 0.29 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.53 1uf5 h HIS 214 CO -0.36 0.77 -0.04 1.25 0.86 0.00 0.00 177.93 180.42 1uf5 h HIS 215 N 0.73 -0.09 -0.28 2.45 -0.00 -1.06 -2.10 115.15 114.79 1uf5 h HIS 215 Ca 0.14 -0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 60.40 1uf5 h HIS 215 Cb 0.44 0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.87 1uf5 h HIS 215 CO 0.02 0.25 -0.28 -0.07 -0.00 0.00 0.00 177.93 177.85 1uf5 h LEU 216 N -0.45 0.58 -0.59 0.26 3.38 -0.98 -2.46 115.31 115.05 1uf5 h LEU 216 Ca -0.01 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.75 1uf5 h LEU 216 Cb 0.39 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1uf5 h LEU 216 CO 0.02 0.84 0.39 0.25 0.09 0.00 0.00 178.44 180.03 1uf5 h LEU 217 N 0.50 0.69 -0.64 1.67 5.85 -0.73 -0.18 115.31 122.46 1uf5 h LEU 217 Ca 0.06 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 1uf5 h LEU 217 Cb 0.74 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 1uf5 h LEU 217 CO 0.06 0.50 0.25 0.28 -0.34 0.00 0.00 178.44 179.18 1uf5 h SER 218 N 0.81 0.89 -0.25 1.25 0.02 -1.12 -1.15 113.55 114.00 1uf5 h SER 218 Ca 0.22 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 1uf5 h SER 218 Cb -0.09 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.21 1uf5 h SER 218 CO -0.05 0.82 -0.14 0.24 -1.14 0.00 0.00 176.83 176.57 1uf5 h MET 219 N 0.90 0.53 -0.42 3.45 2.86 -1.12 -1.85 114.93 119.29 1uf5 h MET 219 Ca 0.21 -0.24 -0.04 0.00 -2.06 0.00 0.00 59.70 57.57 1uf5 h MET 219 Cb 0.22 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 1uf5 h MET 219 CO -0.02 0.80 0.08 1.96 1.06 0.00 0.00 176.91 180.80 1uf5 h GLN 220 N 0.25 0.68 -0.39 1.72 4.20 -0.97 -2.02 115.11 118.57 1uf5 h GLN 220 Ca 0.05 -0.17 -0.09 0.00 0.06 0.00 0.00 58.65 58.50 1uf5 h GLN 220 Cb 0.65 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1uf5 h GLN 220 CO 0.04 0.71 -0.11 0.00 -0.67 0.00 0.00 178.83 178.80 1uf5 h ALA 221 N 0.94 0.54 -0.53 3.87 0.00 -1.25 -1.55 119.26 121.29 1uf5 h ALA 221 Ca 0.13 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1uf5 h ALA 221 Cb 0.34 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1uf5 h ALA 221 CO 0.00 0.42 0.31 0.78 0.00 0.00 0.00 179.25 180.77 1uf5 h GLY 222 N 0.58 0.77 0.81 0.00 0.00 -1.29 -1.22 103.07 102.73 1uf5 h GLY 222 Ca 0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1uf5 h GLY 222 CO 0.04 0.32 -0.07 1.76 0.00 0.00 0.00 176.54 178.59 1uf5 h SER 223 N 0.71 -0.17 0.19 0.19 0.02 -1.30 -2.83 113.55 110.35 1uf5 h SER 223 Ca 0.19 -0.15 0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1uf5 h SER 223 Cb 0.00 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 1uf5 h SER 223 CO -0.03 0.05 -0.26 0.22 -1.14 0.00 0.00 176.83 175.66 1uf5 h TYR 224 N -0.40 -0.70 0.00 3.45 3.20 -1.19 0.25 116.97 121.58 1uf5 h TYR 224 Ca -0.02 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1uf5 h TYR 224 Cb 0.31 0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.87 1uf5 h TYR 224 CO -0.01 -0.37 0.00 1.04 -1.64 0.00 0.00 178.16 177.18 1uf5 n GLN 225 N -5.38 0.09 -0.01 1.82 6.02 -0.47 -2.23 117.38 117.22 1uf5 n GLN 225 Ca -0.08 0.35 0.02 0.00 -0.01 0.00 0.00 57.00 57.28 1uf5 n GLN 225 Cb 0.29 -1.67 0.02 0.00 1.02 0.00 0.00 30.24 29.90 1uf5 n GLN 225 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1uf5 n ASN 226 N -1.84 1.43 -3.78 1.08 3.02 -1.07 -5.00 115.26 109.11 1uf5 n ASN 226 Ca 0.03 -1.28 -0.26 0.00 -0.03 0.00 0.00 54.58 53.04 1uf5 n ASN 226 Cb 0.19 -0.01 0.04 0.00 -0.61 0.00 0.00 39.78 39.38 1uf5 n ASN 226 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uf5 n GLY 227 N 0.12 -0.43 3.29 7.41 0.00 0.74 -4.87 105.19 111.45 1uf5 n GLY 227 Ca 0.02 0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 1uf5 n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uf5 s ALA 228 N -3.43 1.97 0.49 4.61 0.00 -0.40 -4.53 121.76 120.47 1uf5 s ALA 228 Ca 0.39 -1.15 -0.20 0.00 0.00 0.00 0.00 51.96 51.01 1uf5 s ALA 228 Cb -0.19 -0.40 -0.08 0.00 0.00 0.00 0.00 23.12 22.44 1uf5 s ALA 228 CO 0.81 0.46 1.04 -1.58 0.00 0.00 0.00 175.76 176.48 1uf5 s TRP 229 N -0.79 3.01 0.11 0.00 0.52 0.03 -3.59 118.94 118.23 1uf5 s TRP 229 Ca 0.09 1.57 -0.06 0.00 0.02 0.00 0.00 56.10 57.73 1uf5 s TRP 229 Cb -0.09 -3.05 -0.02 0.00 -1.15 0.00 0.00 33.47 29.16 1uf5 s TRP 229 CO 0.02 -0.82 0.14 -1.54 0.02 0.00 0.00 176.95 174.77 1uf5 s SER 230 N -2.05 0.22 -0.16 2.95 1.04 -0.03 -0.99 113.70 114.68 1uf5 s SER 230 Ca 0.67 -0.89 -0.14 0.00 0.48 0.00 0.00 55.95 56.07 1uf5 s SER 230 Cb -0.16 0.32 0.04 0.00 0.10 0.00 0.00 66.02 66.33 1uf5 s SER 230 CO 0.21 -0.74 0.42 0.00 0.98 0.00 0.00 173.24 174.11 1uf5 s ALA 231 N -3.94 -1.04 -0.09 5.32 0.00 -0.88 -0.15 121.76 120.98 1uf5 s ALA 231 Ca 0.12 1.25 -0.01 0.00 0.00 0.00 0.00 51.96 53.32 1uf5 s ALA 231 Cb 0.06 -0.73 0.03 0.00 0.00 0.00 0.00 23.12 22.47 1uf5 s ALA 231 CO -0.06 -0.21 -0.04 0.00 0.00 0.00 0.00 175.76 175.45 1uf5 s ALA 232 N 0.42 1.00 -0.32 0.00 0.00 0.05 -2.00 121.76 120.90 1uf5 s ALA 232 Ca -0.02 -0.32 -0.09 0.00 0.00 0.00 0.00 51.96 51.53 1uf5 s ALA 232 Cb -0.04 -0.80 0.01 0.00 0.00 0.00 0.00 23.12 22.29 1uf5 s ALA 232 CO -0.02 -0.40 0.15 0.00 0.00 0.00 0.00 175.76 175.49 1uf5 s ALA 233 N 1.77 3.22 0.25 0.00 0.00 -0.25 -1.38 121.76 125.38 1uf5 s ALA 233 Ca 0.04 -1.49 0.04 0.00 0.00 0.00 0.00 51.96 50.55 1uf5 s ALA 233 Cb -0.13 -2.37 -0.03 0.00 0.00 0.00 0.00 23.12 20.59 1uf5 s ALA 233 CO -0.06 -1.03 0.39 0.20 0.00 0.00 0.00 175.76 175.26 1uf5 s GLY 234 N 1.57 1.27 -0.33 0.00 0.00 -1.26 -1.25 107.32 107.31 1uf5 s GLY 234 Ca 0.03 -1.16 -0.08 0.00 0.00 0.00 0.00 44.72 43.52 1uf5 s GLY 234 CO 0.05 -1.16 0.12 1.25 0.00 0.00 0.00 173.10 173.37 1uf5 s LYS 235 N -3.98 2.87 0.53 2.90 2.20 -0.56 -1.58 119.74 122.12 1uf5 s LYS 235 Ca 0.35 -1.02 0.02 0.00 -0.36 0.00 0.00 55.97 54.96 1uf5 s LYS 235 Cb -0.09 -3.50 0.01 0.00 -1.51 0.00 0.00 37.83 32.74 1uf5 s LYS 235 CO 0.30 -0.59 0.16 0.00 -0.36 0.00 0.00 175.35 174.86 1uf5 s ALA 236 N 1.48 4.31 0.00 3.13 0.00 0.67 -4.55 121.76 126.80 1uf5 s ALA 236 Ca 0.01 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1uf5 s ALA 236 Cb -0.18 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.67 1uf5 s ALA 236 CO 0.04 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.03 1uf5 n GLY 237 N -1.48 0.01 3.54 0.00 0.00 -0.84 -1.73 105.19 104.69 1uf5 n GLY 237 Ca -0.14 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 43.50 1uf5 n GLY 237 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1uf5 s MET 238 N -1.04 3.24 -0.30 1.61 -2.45 -1.26 -0.72 119.30 118.38 1uf5 s MET 238 Ca 0.00 -0.43 -0.08 0.00 -1.25 0.00 0.00 55.69 53.94 1uf5 s MET 238 Cb 0.00 -4.35 0.00 0.00 1.25 0.00 0.00 34.83 31.74 1uf5 s MET 238 CO 0.00 -2.12 0.10 -2.00 1.05 0.00 0.00 175.02 172.05 1uf5 s GLU 239 N 5.45 3.17 -1.39 4.11 2.12 -0.42 -4.60 118.70 127.13 1uf5 s GLU 239 Ca 0.35 -0.81 -0.00 0.00 0.36 0.00 0.00 54.97 54.87 1uf5 s GLU 239 Cb -0.08 -3.43 0.00 0.00 0.26 0.00 0.00 34.13 30.88 1uf5 s GLU 239 CO 0.11 -0.43 0.46 0.39 -0.54 0.00 0.00 175.26 175.24 1uf5 n GLU 240 N 4.90 -3.52 -1.05 4.30 -0.58 -1.26 -1.43 120.64 122.01 1uf5 n GLU 240 Ca -0.14 0.43 -0.02 0.00 -0.42 0.00 0.00 57.16 57.01 1uf5 n GLU 240 Cb 0.48 -4.62 -0.01 0.00 -0.57 0.00 0.00 31.44 26.73 1uf5 n GLU 240 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1uf5 n ASN 241 N -3.00 -4.44 -4.05 1.62 3.02 -1.26 -5.00 115.26 102.15 1uf5 n ASN 241 Ca -0.31 0.04 -0.31 0.00 -0.03 0.00 0.00 54.58 53.97 1uf5 n ASN 241 Cb 0.69 -2.09 -0.16 0.00 -0.61 0.00 0.00 39.78 37.60 1uf5 n ASN 241 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uf5 s MET 243 N 1.39 4.38 -0.02 0.00 1.75 -1.26 -1.31 119.30 124.22 1uf5 s MET 243 Ca 0.03 1.69 0.01 0.00 -1.25 0.00 0.00 55.69 56.17 1uf5 s MET 243 Cb -0.14 -3.51 -0.03 0.00 2.84 0.00 0.00 34.83 33.99 1uf5 s MET 243 CO -0.11 -0.39 -0.01 -0.51 -0.65 0.00 0.00 175.02 173.35 1uf5 s LEU 244 N 1.92 3.46 0.33 4.11 1.43 0.10 -1.38 118.68 128.65 1uf5 s LEU 244 Ca 0.56 0.01 -0.29 0.00 -1.03 0.00 0.00 54.13 53.38 1uf5 s LEU 244 Cb -0.26 -1.93 -0.10 0.00 0.03 0.00 0.00 46.19 43.93 1uf5 s LEU 244 CO 0.24 0.31 1.30 -0.22 0.23 0.00 0.00 176.35 178.20 1uf5 s LEU 245 N -1.34 4.43 0.00 1.79 2.96 0.82 -1.98 118.68 125.36 1uf5 s LEU 245 Ca 0.17 2.67 0.00 0.00 -0.22 0.00 0.00 54.13 56.76 1uf5 s LEU 245 Cb -0.11 -3.65 0.00 0.00 0.50 0.00 0.00 46.19 42.93 1uf5 s LEU 245 CO 0.08 -0.52 0.00 0.61 -1.32 0.00 0.00 176.35 175.20 1uf5 n GLY 246 N 0.82 0.50 3.79 7.98 0.00 -1.26 -4.16 105.19 112.87 1uf5 n GLY 246 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1uf5 n GLY 246 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1uf5 n HIS 247 N 0.00 -2.11 -2.05 1.61 -0.00 -1.26 -4.83 115.22 106.58 1uf5 n HIS 247 Ca 0.00 0.87 -0.36 0.00 -0.00 0.00 0.00 57.72 58.24 1uf5 n HIS 247 Cb 0.00 -4.23 0.03 0.00 -0.00 0.00 0.00 29.99 25.79 1uf5 n HIS 247 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1uf5 s SER 248 N -3.88 5.29 0.19 0.41 0.01 -1.26 -4.78 113.70 109.67 1uf5 s SER 248 Ca 0.30 2.32 -0.14 0.00 1.31 0.00 0.00 55.95 59.75 1uf5 s SER 248 Cb -0.15 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.50 1uf5 s SER 248 CO 0.82 -1.52 0.44 0.00 0.41 0.00 0.00 173.24 173.38 1uf5 s ILE 250 N -3.92 1.21 -0.02 0.00 1.01 -0.66 -0.77 121.20 118.05 1uf5 s ILE 250 Ca 0.13 -0.54 0.06 0.00 0.00 0.00 0.00 60.65 60.29 1uf5 s ILE 250 Cb 0.00 -1.08 -0.01 0.00 0.01 0.00 0.00 42.46 41.38 1uf5 s ILE 250 CO -0.01 0.37 -0.18 -0.69 0.00 0.00 0.00 174.94 174.43 1uf5 s VAL 251 N 0.47 1.43 0.71 2.92 1.01 0.78 -0.88 120.40 126.84 1uf5 s VAL 251 Ca -0.11 -0.77 -0.10 0.00 0.00 0.00 0.00 61.98 60.99 1uf5 s VAL 251 Cb -0.14 -1.19 0.03 0.00 0.00 0.00 0.00 36.38 35.08 1uf5 s VAL 251 CO 0.03 0.40 1.08 0.00 0.00 0.00 0.00 175.10 176.62 1uf5 s ALA 252 N -0.40 2.92 -0.69 5.51 0.00 0.17 -0.86 121.76 128.42 1uf5 s ALA 252 Ca 0.06 -0.49 0.10 0.00 0.00 0.00 0.00 51.96 51.63 1uf5 s ALA 252 Cb -0.07 -2.92 0.52 0.00 0.00 0.00 0.00 23.12 20.65 1uf5 s ALA 252 CO -0.01 -1.21 1.31 -2.30 0.00 0.00 0.00 175.76 173.56 1uf5 n PRO 253 N -3.00 0.06 0.00 0.00 -0.02 -1.24 -0.53 135.00 130.28 1uf5 n PRO 253 Ca 0.07 0.52 0.12 0.00 -2.02 0.00 0.00 63.50 62.20 1uf5 n PRO 253 Cb 0.58 -1.68 0.31 0.00 -0.02 0.00 0.00 33.50 32.69 1uf5 n PRO 253 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1uf5 n THR 254 N -1.81 0.00 -0.40 3.45 -2.24 -1.26 -3.66 114.28 108.36 1uf5 n THR 254 Ca -0.00 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1uf5 n THR 254 Cb 0.04 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 1uf5 n THR 254 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uf5 n GLY 255 N 1.40 0.70 3.71 3.38 0.00 0.31 -4.60 105.19 110.10 1uf5 n GLY 255 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1uf5 n GLY 255 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uf5 s GLU 256 N -0.60 4.50 -0.26 1.61 2.02 -1.25 -4.63 118.70 120.08 1uf5 s GLU 256 Ca 0.00 1.64 -0.29 0.00 0.02 0.00 0.00 54.97 56.33 1uf5 s GLU 256 Cb 0.00 -3.38 0.00 0.00 0.10 0.00 0.00 34.13 30.85 1uf5 s GLU 256 CO 0.00 -0.15 1.18 0.42 0.02 0.00 0.00 175.26 176.73 1uf5 s ILE 257 N 0.91 4.38 -0.52 -1.63 1.01 -1.26 -0.65 121.20 123.44 1uf5 s ILE 257 Ca 0.55 1.62 0.22 0.00 0.00 0.00 0.00 60.65 63.04 1uf5 s ILE 257 Cb -0.26 -4.22 -0.26 0.00 0.01 0.00 0.00 42.46 37.73 1uf5 s ILE 257 CO 0.29 -0.33 0.74 1.33 0.00 0.00 0.00 174.94 176.97 1uf5 n VAL 258 N 5.73 0.03 -3.72 2.92 0.24 -0.06 -4.95 118.33 118.52 1uf5 n VAL 258 Ca 0.13 -0.25 -0.13 0.00 -2.04 0.00 0.00 64.34 62.05 1uf5 n VAL 258 Cb 0.46 0.45 -0.10 0.00 -1.47 0.00 0.00 33.84 33.18 1uf5 n VAL 258 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1uf5 s ALA 259 N -3.25 -1.11 -0.12 2.33 0.00 -1.10 -4.95 121.76 113.57 1uf5 s ALA 259 Ca 0.00 1.27 -0.08 0.00 0.00 0.00 0.00 51.96 53.15 1uf5 s ALA 259 Cb 0.15 -0.74 0.04 0.00 0.00 0.00 0.00 23.12 22.57 1uf5 s ALA 259 CO 0.88 -0.21 0.29 -1.17 0.00 0.00 0.00 175.76 175.54 1uf5 s LEU 260 N 0.26 0.62 0.48 0.00 2.96 -1.26 -1.66 118.68 120.08 1uf5 s LEU 260 Ca -0.00 0.60 -0.18 0.00 -0.22 0.00 0.00 54.13 54.33 1uf5 s LEU 260 Cb -0.03 0.96 -0.09 0.00 0.50 0.00 0.00 46.19 47.53 1uf5 s LEU 260 CO 0.00 -0.13 0.97 0.42 -1.32 0.00 0.00 176.35 176.29 1uf5 s THR 261 N 0.65 4.49 0.00 3.68 -4.23 -0.60 -4.98 115.64 114.65 1uf5 s THR 261 Ca -0.04 1.31 0.00 0.00 -1.18 0.00 0.00 61.69 61.78 1uf5 s THR 261 Cb -0.05 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 70.11 1uf5 s THR 261 CO -0.04 -0.56 0.17 0.35 -0.54 0.00 0.00 174.62 174.00 1uf5 n THR 262 N -1.25 0.00 -3.56 3.99 -2.24 -1.26 -4.25 114.28 105.71 1uf5 n THR 262 Ca 0.07 -0.45 -0.24 0.00 -2.27 0.00 0.00 64.05 61.16 1uf5 n THR 262 Cb 0.54 1.03 0.02 0.00 -2.10 0.00 0.00 70.33 69.82 1uf5 n THR 262 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1uf5 s THR 263 N -0.57 1.89 -0.23 4.28 -4.23 -1.26 -5.02 115.64 110.50 1uf5 s THR 263 Ca 0.00 -1.31 0.10 0.00 -1.18 0.00 0.00 61.69 59.30 1uf5 s THR 263 Cb 0.00 -2.20 0.43 0.00 1.34 0.00 0.00 72.50 72.08 1uf5 s THR 263 CO 0.00 0.00 1.23 0.18 -0.54 0.00 0.00 174.62 175.49 1uf5 n LEU 264 N -1.92 3.15 0.00 4.79 4.77 -1.26 -4.64 117.00 121.89 1uf5 n LEU 264 Ca 0.05 -4.03 -0.22 0.00 -0.03 0.00 0.00 56.01 51.77 1uf5 n LEU 264 Cb 0.63 -0.51 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 1uf5 n LEU 264 CO 0.39 1.51 -0.15 -0.62 -1.33 0.00 0.00 177.39 177.19 1uf5 n GLU 265 N -1.06 0.89 -1.69 3.23 1.02 -1.26 -3.79 120.64 117.98 1uf5 n GLU 265 Ca 0.24 -2.71 -0.43 0.00 -0.02 0.00 0.00 57.16 54.25 1uf5 n GLU 265 Cb 0.75 1.06 -0.03 0.00 -0.02 0.00 0.00 31.44 33.20 1uf5 n GLU 265 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1uf5 n ASP 266 N -1.43 3.95 -3.71 1.62 8.00 -1.26 -3.94 116.55 119.78 1uf5 n ASP 266 Ca -0.11 1.01 -0.12 0.00 0.71 0.00 0.00 54.79 56.29 1uf5 n ASP 266 Cb 0.47 -1.54 -0.10 0.00 -0.02 0.00 0.00 41.12 39.93 1uf5 n ASP 266 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1uf5 s GLU 267 N 2.29 0.44 -0.15 -1.24 2.12 -0.20 -4.91 118.70 117.05 1uf5 s GLU 267 Ca 0.81 0.68 -0.04 0.00 0.36 0.00 0.00 54.97 56.77 1uf5 s GLU 267 Cb -0.51 0.11 -0.03 0.00 0.26 0.00 0.00 34.13 33.96 1uf5 s GLU 267 CO 0.37 -0.11 0.00 0.08 -0.54 0.00 0.00 175.26 175.06 1uf5 s VAL 268 N 0.81 4.25 0.11 3.70 1.01 -1.26 -0.71 120.40 128.31 1uf5 s VAL 268 Ca -0.05 -0.24 0.07 0.00 0.00 0.00 0.00 61.98 61.76 1uf5 s VAL 268 Cb -0.06 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 1uf5 s VAL 268 CO -0.06 0.51 -0.17 0.27 0.00 0.00 0.00 175.10 175.65 1uf5 s ILE 269 N 0.08 1.48 0.11 2.22 -4.36 -0.83 -4.99 121.20 114.91 1uf5 s ILE 269 Ca 0.02 -1.59 -0.01 0.00 -0.26 0.00 0.00 60.65 58.81 1uf5 s ILE 269 Cb -0.13 -1.48 -0.04 0.00 1.25 0.00 0.00 42.46 42.06 1uf5 s ILE 269 CO 0.02 -0.24 0.02 0.42 0.24 0.00 0.00 174.94 175.41 1uf5 s THR 270 N -1.59 0.19 -0.19 8.37 -4.23 -1.26 -1.22 115.64 115.71 1uf5 s THR 270 Ca 0.06 -1.89 -0.23 0.00 -1.18 0.00 0.00 61.69 58.45 1uf5 s THR 270 Cb -0.08 -1.88 0.06 0.00 1.34 0.00 0.00 72.50 71.94 1uf5 s THR 270 CO 0.04 -0.64 0.63 0.00 -0.54 0.00 0.00 174.62 174.10 1uf5 s ALA 271 N -3.97 -1.57 0.10 3.99 0.00 -0.25 -4.81 121.76 115.25 1uf5 s ALA 271 Ca 0.18 1.63 -0.30 0.00 0.00 0.00 0.00 51.96 53.47 1uf5 s ALA 271 Cb 0.07 -0.78 -0.06 0.00 0.00 0.00 0.00 23.12 22.35 1uf5 s ALA 271 CO -0.02 -0.31 1.10 0.00 0.00 0.00 0.00 175.76 176.53 1uf5 s ALA 272 N -0.05 3.33 -0.15 0.00 0.00 -1.26 -1.08 121.76 122.55 1uf5 s ALA 272 Ca -0.03 0.76 0.02 0.00 0.00 0.00 0.00 51.96 52.71 1uf5 s ALA 272 Cb -0.04 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.71 1uf5 s ALA 272 CO 0.03 -0.27 -0.20 0.08 0.00 0.00 0.00 175.76 175.40 1uf5 s VAL 273 N 0.44 2.25 -0.35 0.00 1.01 0.15 -4.92 120.40 119.00 1uf5 s VAL 273 Ca 0.53 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 1uf5 s VAL 273 Cb -0.27 -1.92 0.06 0.00 0.00 0.00 0.00 36.38 34.25 1uf5 s VAL 273 CO 0.31 0.54 0.10 -0.62 0.00 0.00 0.00 175.10 175.43 1uf5 s ASP 274 N 0.82 5.20 0.56 3.32 -1.08 -1.26 -0.98 116.67 123.25 1uf5 s ASP 274 Ca -0.06 -1.39 0.24 0.00 -0.52 0.00 0.00 52.55 50.82 1uf5 s ASP 274 Cb -0.15 -1.82 1.59 0.00 -1.46 0.00 0.00 42.92 41.07 1uf5 s ASP 274 CO -0.01 -0.37 2.20 -0.07 0.52 0.00 0.00 175.17 177.44 1uf5 h LEU 275 N 8.13 0.00 -0.23 -1.34 3.38 -1.45 -1.54 115.31 122.27 1uf5 h LEU 275 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1uf5 h LEU 275 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1uf5 h LEU 275 CO 0.61 0.01 0.00 0.47 0.09 0.00 0.00 178.44 179.62 1uf5 n ASP 276 N -4.11 0.35 0.28 -0.43 8.00 -1.26 -2.80 116.55 116.58 1uf5 n ASP 276 Ca -0.03 0.57 0.15 0.00 0.71 0.00 0.00 54.79 56.18 1uf5 n ASP 276 Cb 0.09 -0.65 0.79 0.00 -0.02 0.00 0.00 41.12 41.34 1uf5 n ASP 276 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1uf5 h ARG 277 N 0.00 0.00 -0.23 -1.24 9.65 -1.66 -2.03 114.38 118.87 1uf5 h ARG 277 Ca 0.00 0.00 0.06 0.00 -1.10 0.00 0.00 59.98 58.94 1uf5 h ARG 277 Cb 0.41 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.98 1uf5 h ARG 277 CO 0.00 0.09 0.16 0.00 2.80 0.00 0.00 179.97 183.02 1uf5 h ARG 279 N 0.05 0.00 -0.22 0.00 3.08 -1.60 -1.03 114.38 114.65 1uf5 h ARG 279 Ca 0.11 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.22 1uf5 h ARG 279 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1uf5 h ARG 279 CO -0.01 0.00 0.21 0.93 -1.07 0.00 0.00 179.97 180.03 1uf5 h GLU 280 N 0.00 0.00 0.00 0.04 5.08 -1.51 -1.44 114.58 116.75 1uf5 h GLU 280 Ca 0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 1uf5 h GLU 280 Cb 0.01 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 1uf5 h GLU 280 CO -0.00 0.00 -2.17 1.28 -1.00 0.00 0.00 179.01 177.12 1uf5 n LEU 281 N -4.03 1.48 0.00 1.33 7.99 -0.85 -4.37 117.00 118.55 1uf5 n LEU 281 Ca 0.03 0.26 0.08 0.00 -0.01 0.00 0.00 56.01 56.36 1uf5 n LEU 281 Cb 0.34 -0.62 0.39 0.00 -0.11 0.00 0.00 43.42 43.42 1uf5 n LEU 281 CO 0.30 0.43 0.74 0.54 -1.51 0.00 0.00 177.39 177.89 1uf5 n ARG 282 N -3.95 0.15 -0.01 3.23 5.12 -0.45 -0.35 116.66 120.40 1uf5 n ARG 282 Ca -0.41 0.17 0.03 0.00 -1.93 0.00 0.00 57.85 55.70 1uf5 n ARG 282 Cb 0.79 -1.50 0.03 0.00 -1.16 0.00 0.00 32.46 30.62 1uf5 n ARG 282 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1uf5 n GLU 283 N -1.36 0.07 0.00 5.56 1.02 -0.55 -3.95 120.64 121.43 1uf5 n GLU 283 Ca 0.06 -0.91 0.00 0.00 -0.02 0.00 0.00 57.16 56.29 1uf5 n GLU 283 Cb 0.15 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 1uf5 n GLU 283 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1uf5 n HIS 284 N 0.27 0.00 0.12 -0.32 8.25 -0.90 -4.77 115.22 117.87 1uf5 n HIS 284 Ca 0.03 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.55 1uf5 n HIS 284 Cb 0.15 0.00 0.50 0.00 1.12 0.00 0.00 29.99 31.77 1uf5 n HIS 284 CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 1uf5 h ILE 285 N 0.00 1.07 -1.26 1.59 2.10 -1.78 -2.61 117.51 116.63 1uf5 h ILE 285 Ca 0.00 -0.19 -0.61 0.00 1.08 0.00 0.00 64.86 65.13 1uf5 h ILE 285 Cb 0.00 0.79 -0.39 0.00 -1.09 0.00 0.00 36.82 36.14 1uf5 h ILE 285 CO 0.00 0.08 -0.32 0.49 -1.08 0.00 0.00 178.15 177.32 1uf5 n PHE 286 N -4.47 3.11 -2.53 2.19 0.99 0.52 -4.93 117.46 112.33 1uf5 n PHE 286 Ca 0.00 -2.69 -0.40 0.00 -0.00 0.00 0.00 57.45 54.36 1uf5 n PHE 286 Cb 0.10 -0.49 -0.03 0.00 -1.00 0.00 0.00 39.48 38.06 1uf5 n PHE 286 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 1uf5 s ASN 287 N -3.02 6.37 0.15 4.37 3.84 -0.99 -4.21 114.94 121.46 1uf5 s ASN 287 Ca 0.52 -1.22 -0.29 0.00 0.21 0.00 0.00 52.86 52.08 1uf5 s ASN 287 Cb 0.42 -2.57 -0.04 0.00 -0.55 0.00 0.00 41.25 38.52 1uf5 s ASN 287 CO -0.12 -1.63 1.56 -0.26 -2.79 0.00 0.00 177.10 173.86 1uf5 h PHE 288 N 9.95 -1.53 -0.78 0.43 0.05 -1.92 -1.27 116.94 121.87 1uf5 h PHE 288 Ca 0.10 0.09 0.12 0.00 3.82 0.00 0.00 57.97 62.10 1uf5 h PHE 288 Cb 1.02 0.74 -0.06 0.00 2.00 0.00 0.00 35.95 39.65 1uf5 h PHE 288 CO 1.25 -0.45 0.52 1.57 -0.18 0.00 0.00 178.31 181.01 1uf5 h LYS 289 N -0.28 0.58 0.00 1.51 2.10 -1.92 0.14 116.57 118.70 1uf5 h LYS 289 Ca 0.13 -0.03 -0.18 0.00 -2.00 0.00 0.00 60.65 58.56 1uf5 h LYS 289 Cb 0.56 -0.13 -0.03 0.00 -0.90 0.00 0.00 32.23 31.74 1uf5 h LYS 289 CO -0.67 0.38 -0.98 1.96 -2.00 0.00 0.00 179.45 178.14 1uf5 h GLN 290 N 0.60 0.00 0.00 0.07 1.08 -1.74 -3.41 115.11 111.70 1uf5 h GLN 290 Ca 0.38 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.43 1uf5 h GLN 290 Cb 0.64 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.04 1uf5 h GLN 290 CO -0.14 0.70 -1.54 0.72 -0.95 0.00 0.00 178.83 177.63 1uf5 n HIS 291 N -3.22 0.00 -2.13 2.96 8.25 -0.56 -5.04 115.22 115.47 1uf5 n HIS 291 Ca -0.03 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.06 1uf5 n HIS 291 Cb 0.88 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 31.61 1uf5 n HIS 291 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1uf5 s ARG 292 N -2.19 3.68 -0.55 -0.41 0.52 -0.00 -4.99 118.95 115.01 1uf5 s ARG 292 Ca -0.05 1.93 0.06 0.00 -0.52 0.00 0.00 55.73 57.15 1uf5 s ARG 292 Cb 0.02 -2.45 0.22 0.00 0.52 0.00 0.00 34.95 33.27 1uf5 s ARG 292 CO 0.30 -0.66 0.58 1.04 0.02 0.00 0.00 175.30 176.59 1uf5 n GLN 293 N -0.46 1.58 0.18 3.54 1.13 -1.26 -4.95 117.38 117.14 1uf5 n GLN 293 Ca 0.07 -4.03 0.18 0.00 -1.94 0.00 0.00 57.00 51.27 1uf5 n GLN 293 Cb 0.47 -1.89 0.72 0.00 0.11 0.00 0.00 30.24 29.64 1uf5 n GLN 293 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1uf5 h PRO 294 N 4.56 0.00 0.00 -1.09 0.11 -1.98 -1.28 132.00 132.32 1uf5 h PRO 294 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1uf5 h PRO 294 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1uf5 h PRO 294 CO 0.65 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.44 1uf5 n GLN 295 N -3.29 0.04 -0.05 1.05 0.00 -1.26 -1.42 117.38 112.44 1uf5 n GLN 295 Ca 0.04 0.43 0.06 0.00 0.00 0.00 0.00 57.00 57.53 1uf5 n GLN 295 Cb 0.60 -1.60 0.08 0.00 0.00 0.00 0.00 30.24 29.32 1uf5 n GLN 295 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1uf5 n HIS 296 N -1.67 0.14 0.29 2.61 8.25 -0.48 -4.54 115.22 119.82 1uf5 n HIS 296 Ca 0.01 -0.14 0.09 0.00 -0.26 0.00 0.00 57.72 57.42 1uf5 n HIS 296 Cb 0.08 -0.01 0.16 0.00 1.12 0.00 0.00 29.99 31.34 1uf5 n HIS 296 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1uf5 n TYR 297 N 0.66 0.35 -0.33 4.41 4.01 -0.51 -4.70 117.16 121.05 1uf5 n TYR 297 Ca 0.09 -0.23 0.21 0.00 -0.16 0.00 0.00 57.90 57.81 1uf5 n TYR 297 Cb 0.34 -0.01 0.43 0.00 -0.31 0.00 0.00 39.34 39.80 1uf5 n TYR 297 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1uf5 h GLY 298 N 3.51 1.94 1.30 2.72 0.00 -1.80 -1.15 103.07 109.60 1uf5 h GLY 298 Ca 0.00 -0.23 0.09 0.00 0.00 0.00 0.00 47.33 47.19 1uf5 h GLY 298 CO 0.00 -0.42 0.27 -2.00 0.00 0.00 0.00 176.54 174.39 1uf5 h LEU 299 N 0.37 0.08 -1.85 3.11 5.85 -1.96 -0.88 115.31 120.04 1uf5 h LEU 299 Ca 0.69 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.39 1uf5 h LEU 299 Cb 1.50 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.51 1uf5 h LEU 299 CO -0.58 0.05 -0.11 0.40 -0.34 0.00 0.00 178.44 177.86 1uf5 h ILE 300 N 0.09 0.96 -0.17 4.05 2.04 -1.58 -2.66 117.51 120.25 1uf5 h ILE 300 Ca 0.18 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1uf5 h ILE 300 Cb 0.58 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1uf5 h ILE 300 CO -0.02 0.11 0.00 0.00 0.00 0.00 0.00 178.15 178.24 1uf5 n ALA 301 N -2.47 2.44 -1.87 1.87 0.00 -0.35 -4.97 120.51 115.15 1uf5 n ALA 301 Ca -0.03 -0.81 -0.41 0.00 0.00 0.00 0.00 53.44 52.20 1uf5 n ALA 301 Cb 0.19 -0.75 -0.04 0.00 0.00 0.00 0.00 19.45 18.85 1uf5 n ALA 301 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1uf5 s GLU 302 N -1.61 4.54 0.00 0.00 2.02 -1.00 -5.14 118.70 117.50 1uf5 s GLU 302 Ca 0.30 1.90 0.32 0.00 0.02 0.00 0.00 54.97 57.50 1uf5 s GLU 302 Cb 0.19 -3.19 1.89 0.00 0.10 0.00 0.00 34.13 33.12 1uf5 s GLU 302 CO 0.28 0.04 2.21 1.28 0.02 0.00 0.00 175.26 179.08