#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 -0.68 -4.41 -2.82 5.12 -1.26 -4.95 116.66 107.67 1uf5 n ARG 2 Ca 0.00 -0.34 -0.32 0.00 -1.93 0.00 0.00 57.85 55.25 1uf5 n ARG 2 Cb 0.00 -0.84 -0.10 0.00 -1.16 0.00 0.00 32.46 30.36 1uf5 n ARG 2 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1uf5 s GLN 3 N -0.00 2.60 0.16 5.56 -1.52 -1.26 -0.08 119.66 125.12 1uf5 s GLN 3 Ca 0.00 -0.70 -0.25 0.00 -1.95 0.00 0.00 55.36 52.46 1uf5 s GLN 3 Cb 0.00 -2.54 0.06 0.00 -0.22 0.00 0.00 33.01 30.31 1uf5 s GLN 3 CO 0.00 0.61 0.94 0.00 -0.25 0.00 0.00 175.29 176.59 1uf5 s MET 4 N -1.47 1.23 -0.19 2.91 0.23 -0.51 -5.01 119.30 116.50 1uf5 s MET 4 Ca 0.18 -0.68 0.01 0.00 -1.03 0.00 0.00 55.69 54.17 1uf5 s MET 4 Cb -0.11 0.42 0.02 0.00 -1.53 0.00 0.00 34.83 33.63 1uf5 s MET 4 CO 0.08 -0.56 -0.18 0.42 -2.03 0.00 0.00 175.02 172.74 1uf5 s ILE 5 N -3.33 2.02 -0.02 3.16 1.01 -1.26 -0.06 121.20 122.72 1uf5 s ILE 5 Ca 0.12 -0.98 -0.08 0.00 0.00 0.00 0.00 60.65 59.70 1uf5 s ILE 5 Cb -0.02 -1.87 -0.05 0.00 0.01 0.00 0.00 42.46 40.54 1uf5 s ILE 5 CO 0.02 0.47 0.27 -0.22 0.00 0.00 0.00 174.94 175.49 1uf5 s LEU 6 N 1.29 4.40 0.14 2.97 2.96 -0.31 -1.02 118.68 129.11 1uf5 s LEU 6 Ca 0.04 0.63 0.05 0.00 -0.22 0.00 0.00 54.13 54.63 1uf5 s LEU 6 Cb -0.14 -2.51 -0.04 0.00 0.50 0.00 0.00 46.19 44.00 1uf5 s LEU 6 CO -0.12 0.30 -0.12 0.00 -1.32 0.00 0.00 176.35 175.09 1uf5 s ALA 7 N -1.19 1.51 -0.07 5.97 0.00 0.42 -1.00 121.76 127.39 1uf5 s ALA 7 Ca 0.24 -1.40 0.03 0.00 0.00 0.00 0.00 51.96 50.83 1uf5 s ALA 7 Cb -0.14 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 22.97 1uf5 s ALA 7 CO 0.12 0.01 -0.15 0.08 0.00 0.00 0.00 175.76 175.83 1uf5 s VAL 8 N -2.69 1.33 -0.70 0.00 1.01 -0.17 -0.73 120.40 118.46 1uf5 s VAL 8 Ca 0.13 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 1uf5 s VAL 8 Cb -0.02 -1.19 0.18 0.00 0.00 0.00 0.00 36.38 35.35 1uf5 s VAL 8 CO 0.02 0.40 0.53 -0.83 0.00 0.00 0.00 175.10 175.22 1uf5 s GLY 9 N 0.53 2.65 0.36 4.51 0.00 0.57 -1.91 107.32 114.03 1uf5 s GLY 9 Ca -0.14 -3.41 -0.27 0.00 0.00 0.00 0.00 44.72 40.90 1uf5 s GLY 9 CO 0.05 1.13 1.20 1.62 0.00 0.00 0.00 173.10 177.10 1uf5 s GLN 10 N -0.37 4.21 0.05 2.90 0.74 -0.13 -4.24 119.66 122.82 1uf5 s GLN 10 Ca 0.19 1.96 0.03 0.00 0.05 0.00 0.00 55.36 57.60 1uf5 s GLN 10 Cb -0.17 -2.86 -0.04 0.00 1.10 0.00 0.00 33.01 31.04 1uf5 s GLN 10 CO -0.06 -0.22 -0.01 -0.65 -0.55 0.00 0.00 175.29 173.81 1uf5 s GLN 11 N -2.03 2.64 0.29 1.67 -0.21 -0.68 -1.21 119.66 120.13 1uf5 s GLN 11 Ca 0.53 -0.74 -0.03 0.00 0.02 0.00 0.00 55.36 55.14 1uf5 s GLN 11 Cb -0.34 -2.59 0.06 0.00 1.00 0.00 0.00 33.01 31.15 1uf5 s GLN 11 CO 0.44 0.58 0.39 0.41 -2.12 0.00 0.00 175.29 174.98 1uf5 n GLY 12 N 0.98 -0.39 3.69 3.09 0.00 -1.25 -0.28 105.19 111.03 1uf5 n GLY 12 Ca -0.13 -1.81 -0.36 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.79 0.72 -4.05 1.61 -0.02 -0.76 -4.50 135.00 126.22 1uf5 n PRO 13 Ca 0.05 0.31 -0.31 0.00 -2.02 0.00 0.00 63.50 61.53 1uf5 n PRO 13 Cb 0.19 -2.42 -0.16 0.00 -0.02 0.00 0.00 33.50 31.09 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 -1.68 1.82 0.71 4.25 1.01 -1.26 -5.07 121.20 120.99 1uf5 s ILE 14 Ca 0.78 -1.00 -0.13 0.00 0.00 0.00 0.00 60.65 60.31 1uf5 s ILE 14 Cb -0.35 -1.79 0.03 0.00 0.01 0.00 0.00 42.46 40.36 1uf5 s ILE 14 CO 0.45 0.31 1.10 0.00 0.00 0.00 0.00 174.94 176.80 1uf5 s ALA 15 N 1.34 2.38 0.36 9.38 0.00 -1.26 -3.98 121.76 129.98 1uf5 s ALA 15 Ca 0.01 0.39 0.05 0.00 0.00 0.00 0.00 51.96 52.40 1uf5 s ALA 15 Cb -0.15 -3.29 0.71 0.00 0.00 0.00 0.00 23.12 20.40 1uf5 s ALA 15 CO -0.10 -1.50 1.99 -0.09 0.00 0.00 0.00 175.76 176.07 1uf5 h ARG 16 N -0.56 0.75 -0.02 0.00 2.43 -1.99 -2.08 114.38 112.93 1uf5 h ARG 16 Ca -0.45 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1uf5 h ARG 16 Cb 1.24 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1uf5 h ARG 16 CO 0.53 0.50 -0.17 0.00 -1.51 0.00 0.00 179.97 179.32 1uf5 n ALA 17 N -2.45 2.90 -2.07 2.80 0.00 -1.26 -4.89 120.51 115.53 1uf5 n ALA 17 Ca 0.08 -0.53 -0.42 0.00 0.00 0.00 0.00 53.44 52.57 1uf5 n ALA 17 Cb 0.13 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.55 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 -2.24 4.25 0.61 0.00 2.12 -0.78 -4.97 118.70 117.68 1uf5 s GLU 18 Ca 0.28 2.16 -0.14 0.00 0.36 0.00 0.00 54.97 57.63 1uf5 s GLU 18 Cb 0.20 -3.52 -0.03 0.00 0.26 0.00 0.00 34.13 31.03 1uf5 s GLU 18 CO 0.43 -0.63 1.04 0.95 -0.54 0.00 0.00 175.26 176.50 1uf5 s THR 19 N 2.29 4.20 0.42 -1.70 -4.23 -1.26 -4.87 115.64 110.48 1uf5 s THR 19 Ca 0.69 0.89 0.11 0.00 -1.18 0.00 0.00 61.69 62.19 1uf5 s THR 19 Cb -0.36 -3.55 0.20 0.00 1.34 0.00 0.00 72.50 70.13 1uf5 s THR 19 CO 0.30 -0.76 1.99 0.03 -0.54 0.00 0.00 174.62 175.64 1uf5 h ARG 20 N 0.09 0.23 -0.65 3.99 3.08 -1.94 -1.16 114.38 118.02 1uf5 h ARG 20 Ca -0.45 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.55 1uf5 h ARG 20 Cb 1.20 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.18 1uf5 h ARG 20 CO 0.59 0.29 0.36 0.93 -1.07 0.00 0.00 179.97 181.07 1uf5 h GLU 21 N 0.23 0.91 -0.43 0.04 3.07 -1.92 0.16 114.58 116.63 1uf5 h GLU 21 Ca 0.05 -0.10 -0.10 0.00 -0.50 0.00 0.00 59.36 58.70 1uf5 h GLU 21 Cb 0.22 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 1uf5 h GLU 21 CO 0.01 0.68 -0.15 1.96 -1.40 0.00 0.00 179.01 180.10 1uf5 h GLN 22 N 0.89 0.80 -0.42 2.33 4.20 -1.67 -2.31 115.11 118.93 1uf5 h GLN 22 Ca 0.23 -0.29 -0.13 0.00 0.06 0.00 0.00 58.65 58.52 1uf5 h GLN 22 Cb 0.03 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1uf5 h GLN 22 CO -0.04 0.91 -0.26 0.28 -0.67 0.00 0.00 178.83 179.04 1uf5 h VAL 23 N 0.71 1.27 -0.41 -0.54 2.07 -0.73 -2.78 116.25 115.85 1uf5 h VAL 23 Ca 0.11 -1.42 -0.05 0.00 0.82 0.00 0.00 66.70 66.16 1uf5 h VAL 23 Cb 0.66 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 1uf5 h VAL 23 CO 0.05 0.48 0.04 0.58 0.02 0.00 0.00 177.57 178.74 1uf5 h VAL 24 N 0.75 1.21 -0.78 2.57 2.07 -0.51 -0.04 116.25 121.52 1uf5 h VAL 24 Ca 0.09 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 1uf5 h VAL 24 Cb 0.82 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 1uf5 h VAL 24 CO 0.07 0.28 0.45 0.58 0.02 0.00 0.00 177.57 178.98 1uf5 h VAL 25 N 0.62 1.23 -0.49 2.57 2.07 -1.21 0.19 116.25 121.23 1uf5 h VAL 25 Ca 0.13 -0.53 -0.13 0.00 0.82 0.00 0.00 66.70 67.00 1uf5 h VAL 25 Cb 0.32 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1uf5 h VAL 25 CO 0.01 0.24 -0.19 0.03 0.02 0.00 0.00 177.57 177.68 1uf5 h ARG 26 N 1.08 0.99 -0.43 1.57 3.08 -1.07 -1.98 114.38 117.62 1uf5 h ARG 26 Ca 0.28 -0.41 -0.11 0.00 0.07 0.00 0.00 59.98 59.80 1uf5 h ARG 26 Cb -0.01 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1uf5 h ARG 26 CO -0.05 1.09 -0.17 -0.07 -1.07 0.00 0.00 179.97 179.69 1uf5 h LEU 27 N 0.84 0.89 -0.87 3.04 3.38 -0.67 -2.60 115.31 119.32 1uf5 h LEU 27 Ca 0.11 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1uf5 h LEU 27 Cb 0.76 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1uf5 h LEU 27 CO 0.06 1.08 0.54 -0.07 0.09 0.00 0.00 178.44 180.14 1uf5 h LEU 28 N 0.69 1.04 -0.48 1.67 3.38 -0.55 -0.25 115.31 120.81 1uf5 h LEU 28 Ca 0.10 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1uf5 h LEU 28 Cb 0.73 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1uf5 h LEU 28 CO 0.06 0.79 0.29 -0.78 0.09 0.00 0.00 178.44 178.89 1uf5 h ASP 29 N 1.20 0.57 -0.40 -0.43 3.58 -1.20 -0.04 116.42 119.70 1uf5 h ASP 29 Ca 0.31 -0.05 -0.15 0.00 0.42 0.00 0.00 57.03 57.57 1uf5 h ASP 29 Cb -0.07 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 40.83 1uf5 h ASP 29 CO -0.06 0.45 -0.33 0.24 -2.88 0.00 0.00 179.24 176.66 1uf5 h MET 30 N 0.64 0.92 -0.75 0.28 2.86 -1.11 -1.33 114.93 116.43 1uf5 h MET 30 Ca 0.17 -0.46 -0.05 0.00 -2.06 0.00 0.00 59.70 57.30 1uf5 h MET 30 Cb -0.01 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 1uf5 h MET 30 CO -0.03 1.12 0.29 1.25 1.06 0.00 0.00 176.91 180.59 1uf5 h LEU 31 N 0.74 1.04 -0.34 1.22 6.46 -0.84 0.53 115.31 124.12 1uf5 h LEU 31 Ca 0.07 -0.17 -0.08 0.00 -0.12 0.00 0.00 57.88 57.58 1uf5 h LEU 31 Cb 0.92 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.57 1uf5 h LEU 31 CO 0.08 0.93 -0.12 0.74 -0.62 0.00 0.00 178.44 179.46 1uf5 h THR 32 N 1.10 1.28 -0.61 1.05 2.02 -0.89 -1.55 112.91 115.31 1uf5 h THR 32 Ca 0.25 -1.20 -0.08 0.00 0.77 0.00 0.00 66.41 66.15 1uf5 h THR 32 Cb 0.23 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 1uf5 h THR 32 CO -0.02 0.39 0.06 0.11 0.37 0.00 0.00 175.52 176.44 1uf5 h LYS 33 N 0.47 1.02 -0.29 6.66 1.57 -0.99 -1.51 116.57 123.50 1uf5 h LYS 33 Ca 0.08 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.56 1uf5 h LYS 33 Cb 0.63 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1uf5 h LYS 33 CO 0.04 0.96 0.11 0.00 -0.57 0.00 0.00 179.45 180.00 1uf5 h ALA 34 N 1.11 0.37 -0.56 3.86 0.00 -0.78 -2.53 119.26 120.72 1uf5 h ALA 34 Ca 0.18 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1uf5 h ALA 34 Cb 0.46 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1uf5 h ALA 34 CO 0.02 -0.03 0.26 0.00 0.00 0.00 0.00 179.25 179.50 1uf5 h ALA 35 N 0.96 1.40 0.00 0.00 0.00 -1.09 -1.02 119.26 119.51 1uf5 h ALA 35 Ca 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1uf5 h ALA 35 Cb 0.18 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1uf5 h ALA 35 CO -0.01 0.47 -0.11 0.66 0.00 0.00 0.00 179.25 180.26 1uf5 h SER 36 N 0.79 0.00 -0.54 0.00 4.64 -0.94 -1.18 113.55 116.32 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 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1uf5 h SER 36 CO -0.02 0.11 0.00 0.54 -0.87 0.00 0.00 176.83 176.58 1uf5 n ARG 37 N -3.55 3.92 -0.31 4.77 1.74 -0.47 -4.93 116.66 117.84 1uf5 n ARG 37 Ca -0.02 -2.65 0.00 0.00 -0.77 0.00 0.00 57.85 54.41 1uf5 n ARG 37 Cb 0.24 -2.00 0.00 0.00 -1.02 0.00 0.00 32.46 29.69 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 0.81 1.13 3.77 -0.13 0.00 -0.45 -5.05 105.19 105.27 1uf5 n GLY 38 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.84 3.33 -0.64 4.61 0.00 -0.71 -4.48 121.76 121.02 1uf5 s ALA 39 Ca 0.00 1.26 0.06 0.00 0.00 0.00 0.00 51.96 53.28 1uf5 s ALA 39 Cb 0.00 -3.49 0.10 0.00 0.00 0.00 0.00 23.12 19.72 1uf5 s ALA 39 CO 0.00 -0.80 0.88 0.27 0.00 0.00 0.00 175.76 176.11 1uf5 n ASN 40 N 0.29 1.93 -3.64 0.00 6.94 -0.19 -4.30 115.26 116.30 1uf5 n ASN 40 Ca 0.03 -1.57 -0.10 0.00 -0.02 0.00 0.00 54.58 52.92 1uf5 n ASN 40 Cb 0.43 -0.05 -0.07 0.00 -2.36 0.00 0.00 39.78 37.73 1uf5 n ASN 40 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1uf5 s PHE 41 N -0.71 -0.83 -0.05 -2.53 5.36 -1.23 -1.55 117.98 116.43 1uf5 s PHE 41 Ca 0.09 1.85 0.02 0.00 -0.96 0.00 0.00 56.93 57.93 1uf5 s PHE 41 Cb 0.06 0.42 0.01 0.00 -0.34 0.00 0.00 43.02 43.17 1uf5 s PHE 41 CO 0.08 -0.41 -0.09 -1.50 -1.46 0.00 0.00 175.22 171.84 1uf5 s ILE 42 N 0.89 0.83 -0.17 3.12 2.07 -0.07 -0.44 121.20 127.44 1uf5 s ILE 42 Ca -0.04 -0.32 -0.16 0.00 -1.41 0.00 0.00 60.65 58.72 1uf5 s ILE 42 Cb -0.05 -0.78 -0.04 0.00 0.13 0.00 0.00 42.46 41.72 1uf5 s ILE 42 CO -0.09 0.28 0.40 -0.69 -1.91 0.00 0.00 174.94 172.93 1uf5 s VAL 43 N 0.64 5.22 0.34 4.00 1.01 0.09 -1.84 120.40 129.86 1uf5 s VAL 43 Ca -0.11 0.74 0.08 0.00 0.00 0.00 0.00 61.98 62.69 1uf5 s VAL 43 Cb -0.14 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 1uf5 s VAL 43 CO 0.02 0.30 0.26 -0.36 0.00 0.00 0.00 175.10 175.31 1uf5 s PHE 44 N 0.97 2.86 1.14 5.22 2.99 -0.14 -0.32 117.98 130.70 1uf5 s PHE 44 Ca 0.20 -0.32 -0.15 0.00 0.00 0.00 0.00 56.93 56.67 1uf5 s PHE 44 Cb -0.14 -1.76 0.26 0.00 0.00 0.00 0.00 43.02 41.37 1uf5 s PHE 44 CO 0.08 0.22 1.06 -2.14 -0.00 0.00 0.00 175.22 174.43 1uf5 s PRO 45 N -3.96 -0.71 0.33 0.24 0.02 -1.25 -4.08 135.00 125.59 1uf5 s PRO 45 Ca 0.40 0.45 -0.28 0.00 0.02 0.00 0.00 61.00 61.60 1uf5 s PRO 45 Cb -0.05 -1.61 -0.09 0.00 0.02 0.00 0.00 34.50 32.77 1uf5 s PRO 45 CO 0.26 -3.49 1.14 -2.00 -0.33 0.00 0.00 177.00 172.58 1uf5 s GLU 46 N -4.88 4.41 -1.32 5.54 2.12 -1.26 -2.65 118.70 120.65 1uf5 s GLU 46 Ca 0.68 1.83 -0.17 0.00 0.36 0.00 0.00 54.97 57.66 1uf5 s GLU 46 Cb -0.19 -2.97 0.02 0.00 0.26 0.00 0.00 34.13 31.25 1uf5 s GLU 46 CO 0.60 -0.01 0.48 1.28 -0.54 0.00 0.00 175.26 177.07 1uf5 n LEU 47 N 0.72 -1.23 0.00 2.70 4.77 -1.23 -4.76 117.00 117.96 1uf5 n LEU 47 Ca 0.01 -1.19 0.13 0.00 -0.03 0.00 0.00 56.01 54.92 1uf5 n LEU 47 Cb 0.45 -1.86 0.75 0.00 -2.33 0.00 0.00 43.42 40.44 1uf5 n LEU 47 CO 0.53 0.60 0.94 0.00 -1.33 0.00 0.00 177.39 178.13 1uf5 n ALA 48 N -4.67 2.44 0.80 -1.18 0.00 -0.14 -3.44 120.51 114.32 1uf5 n ALA 48 Ca -0.20 -0.16 0.08 0.00 0.00 0.00 0.00 53.44 53.17 1uf5 n ALA 48 Cb 0.62 -1.42 -0.06 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.04 1.12 -4.15 0.00 4.77 -1.26 -4.99 117.00 111.46 1uf5 n LEU 49 Ca 0.18 -0.59 -0.14 0.00 -0.03 0.00 0.00 56.01 55.43 1uf5 n LEU 49 Cb 0.10 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.12 1uf5 n LEU 49 CO 0.15 0.25 -0.02 0.42 -1.33 0.00 0.00 177.39 176.85 1uf5 s THR 50 N -2.43 0.00 0.80 -5.08 -4.23 -1.22 -4.62 115.64 98.86 1uf5 s THR 50 Ca 0.09 -1.78 -0.11 0.00 -1.18 0.00 0.00 61.69 58.71 1uf5 s THR 50 Cb 0.13 -2.50 0.07 0.00 1.34 0.00 0.00 72.50 71.55 1uf5 s THR 50 CO 0.62 0.00 1.09 0.28 -0.54 0.00 0.00 174.62 176.06 1uf5 s THR 51 N -3.62 3.18 -1.30 3.99 -1.32 -1.26 -4.82 115.64 110.49 1uf5 s THR 51 Ca 0.34 0.38 -0.18 0.00 -1.21 0.00 0.00 61.69 61.03 1uf5 s THR 51 Cb 0.02 -2.92 0.07 0.00 -1.51 0.00 0.00 72.50 68.16 1uf5 s THR 51 CO 0.18 -0.50 1.74 0.33 -2.21 0.00 0.00 174.62 174.16 1uf5 n PHE 52 N -3.58 4.66 0.32 9.09 7.35 -1.26 -4.81 117.46 129.23 1uf5 n PHE 52 Ca 0.08 -2.85 0.21 0.00 -0.76 0.00 0.00 57.45 54.13 1uf5 n PHE 52 Cb 0.54 -2.63 1.14 0.00 0.35 0.00 0.00 39.48 38.88 1uf5 n PHE 52 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 1uf5 h PHE 53 N 7.54 0.00 0.00 -5.13 -5.15 -1.98 -2.84 116.94 109.39 1uf5 h PHE 53 Ca 0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.22 1uf5 h PHE 53 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.04 1uf5 h PHE 53 CO 1.42 0.00 0.00 -2.30 -2.00 0.00 0.00 178.31 175.43 1uf5 n PRO 54 N -2.99 0.11 0.00 6.09 -0.02 -1.26 -1.73 135.00 135.20 1uf5 n PRO 54 Ca -0.03 0.16 0.14 0.00 -2.02 0.00 0.00 63.50 61.75 1uf5 n PRO 54 Cb 0.10 -1.50 0.68 0.00 -0.02 0.00 0.00 33.50 32.76 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 -1.20 0.25 -4.30 -0.52 1.85 -1.07 -1.13 116.66 110.53 1uf5 n ARG 55 Ca 0.03 0.01 -0.27 0.00 -1.00 0.00 0.00 57.85 56.63 1uf5 n ARG 55 Cb 0.04 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 29.85 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 -2.74 2.60 -0.48 2.89 0.51 -0.71 -0.85 118.94 120.16 1uf5 s TRP 56 Ca 0.22 -0.24 -0.19 0.00 -2.12 0.00 0.00 56.10 53.78 1uf5 s TRP 56 Cb 0.19 -1.28 0.05 0.00 -0.81 0.00 0.00 33.47 31.62 1uf5 s TRP 56 CO 0.47 0.51 0.57 -1.58 -0.51 0.00 0.00 176.95 176.41 1uf5 s HIS 57 N -1.67 3.09 0.33 -1.98 5.65 -1.26 -4.83 115.29 114.61 1uf5 s HIS 57 Ca 0.24 -0.47 -0.22 0.00 0.25 0.00 0.00 55.06 54.86 1uf5 s HIS 57 Cb -0.09 -3.36 -0.10 0.00 -1.18 0.00 0.00 32.58 27.86 1uf5 s HIS 57 CO 0.14 -0.93 0.87 -0.06 -0.65 0.00 0.00 174.74 174.11 1uf5 s PHE 58 N 2.49 3.54 0.00 3.88 0.40 -1.26 -4.96 117.98 122.07 1uf5 s PHE 58 Ca 0.15 1.57 0.00 0.00 -0.60 0.00 0.00 56.93 58.05 1uf5 s PHE 58 Cb -0.18 -2.78 0.00 0.00 0.51 0.00 0.00 43.02 40.57 1uf5 s PHE 58 CO 0.13 0.15 0.00 0.25 0.70 0.00 0.00 175.22 176.44 1uf5 n THR 59 N 0.18 0.00 -4.10 0.64 -2.24 -1.26 -4.99 114.28 102.50 1uf5 n THR 59 Ca 0.02 -0.33 -0.33 0.00 -2.27 0.00 0.00 64.05 61.15 1uf5 n THR 59 Cb 0.52 0.93 -0.16 0.00 -2.10 0.00 0.00 70.33 69.52 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 -0.81 3.16 0.28 3.42 -1.08 -1.26 -5.02 116.67 115.37 1uf5 s ASP 60 Ca 0.00 -0.68 -0.01 0.00 -0.52 0.00 0.00 52.55 51.34 1uf5 s ASP 60 Cb 0.00 -1.45 0.42 0.00 -1.46 0.00 0.00 42.92 40.43 1uf5 s ASP 60 CO 0.00 -0.02 1.84 -0.08 0.52 0.00 0.00 175.17 177.43 1uf5 h GLU 61 N 7.94 0.82 -0.64 4.34 4.81 -1.99 -2.30 114.58 127.56 1uf5 h GLU 61 Ca -0.43 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 58.62 1uf5 h GLU 61 Cb 1.13 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.36 1uf5 h GLU 61 CO 0.61 0.73 0.32 0.00 -0.73 0.00 0.00 179.01 179.95 1uf5 h ALA 62 N 1.36 0.83 -0.55 2.92 0.00 -1.99 0.40 119.26 122.23 1uf5 h ALA 62 Ca 0.18 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1uf5 h ALA 62 Cb 0.28 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1uf5 h ALA 62 CO -0.00 0.38 0.21 0.93 0.00 0.00 0.00 179.25 180.77 1uf5 h GLU 63 N 0.89 0.83 -0.11 0.00 5.08 -1.93 -2.15 114.58 117.18 1uf5 h GLU 63 Ca 0.22 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1uf5 h GLU 63 Cb 0.10 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1uf5 h GLU 63 CO -0.03 0.73 0.05 1.25 -1.00 0.00 0.00 179.01 180.01 1uf5 h LEU 64 N 0.75 0.14 -1.84 1.33 5.85 -1.02 -2.75 115.31 117.78 1uf5 h LEU 64 Ca 0.18 -0.11 0.11 0.00 0.84 0.00 0.00 57.88 58.90 1uf5 h LEU 64 Cb 0.22 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1uf5 h LEU 64 CO -0.01 0.20 0.34 0.44 -0.34 0.00 0.00 178.44 179.07 1uf5 h ASP 65 N 0.06 0.16 -0.02 1.25 3.45 -0.75 -2.01 116.42 118.57 1uf5 h ASP 65 Ca 0.04 0.00 0.01 0.00 0.43 0.00 0.00 57.03 57.51 1uf5 h ASP 65 Cb 0.10 -0.03 -0.00 0.00 -0.56 0.00 0.00 39.33 38.84 1uf5 h ASP 65 CO -0.01 0.10 0.05 0.77 -1.57 0.00 0.00 179.24 178.59 1uf5 h SER 66 N 0.18 0.00 -0.10 6.45 4.64 -1.07 -1.19 113.55 122.46 1uf5 h SER 66 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1uf5 h SER 66 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1uf5 h SER 66 CO -0.04 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.41 1uf5 n PHE 67 N -3.32 0.12 -4.12 4.77 3.01 -0.75 -4.91 117.46 112.26 1uf5 n PHE 67 Ca -0.02 -0.06 -0.22 0.00 1.01 0.00 0.00 57.45 58.16 1uf5 n PHE 67 Cb 0.13 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.55 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 -1.88 3.09 -0.17 1.38 1.51 -0.45 -4.54 117.35 116.29 1uf5 s TYR 68 Ca 0.35 -0.12 -0.08 0.00 -1.01 0.00 0.00 57.07 56.22 1uf5 s TYR 68 Cb 0.19 -1.40 -0.04 0.00 -0.11 0.00 0.00 41.96 40.60 1uf5 s TYR 68 CO 0.29 0.52 0.08 -1.21 -1.11 0.00 0.00 175.55 174.12 1uf5 s GLU 69 N -3.84 3.91 0.00 -0.62 0.41 0.13 -4.90 118.70 113.79 1uf5 s GLU 69 Ca 0.33 -0.30 0.21 0.00 -0.41 0.00 0.00 54.97 54.79 1uf5 s GLU 69 Cb -0.08 -3.22 -0.17 0.00 -1.78 0.00 0.00 34.13 28.87 1uf5 s GLU 69 CO 0.25 0.36 0.92 0.25 -0.49 0.00 0.00 175.26 176.54 1uf5 n THR 70 N 3.29 0.00 -3.72 3.63 -2.24 -1.26 -1.61 114.28 112.37 1uf5 n THR 70 Ca -0.17 -0.07 -0.13 0.00 -2.27 0.00 0.00 64.05 61.41 1uf5 n THR 70 Cb 0.53 1.06 -0.08 0.00 -2.10 0.00 0.00 70.33 69.74 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 -2.82 0.79 -0.22 -0.78 -1.05 -1.26 -4.96 118.70 108.40 1uf5 s GLU 71 Ca 0.10 -0.29 -0.03 0.00 -0.15 0.00 0.00 54.97 54.59 1uf5 s GLU 71 Cb 0.16 0.35 0.11 0.00 -0.44 0.00 0.00 34.13 34.31 1uf5 s GLU 71 CO 0.78 -0.25 0.26 1.41 0.95 0.00 0.00 175.26 178.41 1uf5 s MET 72 N -1.94 0.24 0.24 -4.83 1.75 -1.26 -3.77 119.30 109.72 1uf5 s MET 72 Ca -0.09 0.23 -0.04 0.00 -1.25 0.00 0.00 55.69 54.54 1uf5 s MET 72 Cb -0.03 -1.00 -0.05 0.00 2.84 0.00 0.00 34.83 36.59 1uf5 s MET 72 CO 0.01 -0.70 0.47 -1.25 -0.65 0.00 0.00 175.02 172.91 1uf5 s PRO 73 N 2.37 3.60 0.81 4.11 0.04 -1.26 -5.10 135.00 139.57 1uf5 s PRO 73 Ca 0.08 -0.10 -0.05 0.00 0.04 0.00 0.00 61.00 60.97 1uf5 s PRO 73 Cb -0.15 -2.74 0.17 0.00 0.04 0.00 0.00 34.50 31.82 1uf5 s PRO 73 CO -0.15 0.32 1.10 0.41 0.04 0.00 0.00 177.00 178.72 1uf5 n GLY 74 N -0.65 0.08 0.34 0.56 0.00 -1.25 -4.77 105.19 99.50 1uf5 n GLY 74 Ca -0.03 -1.95 0.10 0.00 0.00 0.00 0.00 46.02 44.15 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 0.40 -0.10 1.61 0.11 -2.00 -1.22 132.00 130.79 1uf5 h PRO 75 Ca -0.36 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.54 1uf5 h PRO 75 Cb 1.23 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1uf5 h PRO 75 CO 0.35 0.26 -0.71 0.28 -0.21 0.00 0.00 178.00 177.97 1uf5 h VAL 76 N 0.41 1.36 0.00 3.15 2.07 -1.99 -3.28 116.25 117.97 1uf5 h VAL 76 Ca 0.24 -2.07 0.00 0.00 0.82 0.00 0.00 66.70 65.69 1uf5 h VAL 76 Cb 0.40 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1uf5 h VAL 76 CO -0.06 0.63 -0.88 0.58 0.02 0.00 0.00 177.57 177.85 1uf5 h VAL 77 N 0.33 0.00 -0.96 2.57 2.07 -1.85 -3.39 116.25 115.02 1uf5 h VAL 77 Ca -0.03 -0.95 0.24 0.00 0.82 0.00 0.00 66.70 66.79 1uf5 h VAL 77 Cb 1.28 1.49 -0.13 0.00 -1.52 0.00 0.00 31.29 32.42 1uf5 h VAL 77 CO 0.13 0.00 0.51 -0.09 0.02 0.00 0.00 177.57 178.14 1uf5 h ARG 78 N 0.00 0.47 -0.80 1.57 2.43 -1.29 -1.50 114.38 115.26 1uf5 h ARG 78 Ca 0.00 -0.03 0.18 0.00 -0.81 0.00 0.00 59.98 59.32 1uf5 h ARG 78 Cb 0.97 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.37 1uf5 h ARG 78 CO 0.00 0.31 0.54 -1.35 -1.51 0.00 0.00 179.97 177.96 1uf5 h PRO 79 N 0.49 0.31 -0.65 0.20 0.11 -1.78 -0.32 132.00 130.37 1uf5 h PRO 79 Ca 0.62 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.64 1uf5 h PRO 79 Cb 1.19 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1uf5 h PRO 79 CO -0.51 0.21 0.13 1.25 -0.21 0.00 0.00 178.00 178.87 1uf5 h LEU 80 N 0.32 1.01 -0.58 2.35 5.85 -1.58 -0.89 115.31 121.79 1uf5 h LEU 80 Ca 0.40 -0.25 -0.11 0.00 0.84 0.00 0.00 57.88 58.76 1uf5 h LEU 80 Cb 1.07 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 1uf5 h LEU 80 CO -0.11 1.00 -0.09 -0.26 -0.34 0.00 0.00 178.44 178.63 1uf5 h PHE 81 N 0.98 1.15 -0.57 1.25 -1.00 -1.18 -1.44 116.94 116.13 1uf5 h PHE 81 Ca 0.20 -0.23 -0.08 0.00 2.81 0.00 0.00 57.97 60.67 1uf5 h PHE 81 Cb 0.40 -0.29 -0.02 0.00 3.61 0.00 0.00 35.95 39.65 1uf5 h PHE 81 CO 0.03 1.05 0.02 0.93 -1.61 0.00 0.00 178.31 178.74 1uf5 h GLU 82 N 0.92 0.96 -0.10 1.51 5.08 -1.01 -2.13 114.58 119.82 1uf5 h GLU 82 Ca 0.15 -0.28 -0.17 0.00 -1.00 0.00 0.00 59.36 58.06 1uf5 h GLU 82 Cb 0.66 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1uf5 h GLU 82 CO 0.05 0.94 -0.68 -0.22 -1.00 0.00 0.00 179.01 178.09 1uf5 h LYS 83 N 0.89 0.41 -0.68 2.33 1.63 -1.04 -1.49 116.57 118.62 1uf5 h LYS 83 Ca 0.17 -0.32 -0.02 0.00 -0.85 0.00 0.00 60.65 59.64 1uf5 h LYS 83 Cb 0.49 0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.15 1uf5 h LYS 83 CO 0.02 0.94 0.35 0.00 -3.45 0.00 0.00 179.45 177.32 1uf5 h ALA 84 N 0.97 0.87 -0.39 5.00 0.00 -1.04 -0.79 119.26 123.87 1uf5 h ALA 84 Ca -0.02 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 1uf5 h ALA 84 Cb 1.24 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1uf5 h ALA 84 CO 0.12 0.40 -0.37 0.00 0.00 0.00 0.00 179.25 179.40 1uf5 h ALA 85 N 1.17 0.57 -0.00 0.00 0.00 -1.31 -0.45 119.26 119.24 1uf5 h ALA 85 Ca 0.24 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1uf5 h ALA 85 Cb 0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1uf5 h ALA 85 CO -0.03 0.67 0.00 1.49 0.00 0.00 0.00 179.25 181.38 1uf5 h GLU 86 N 0.77 0.00 -0.01 0.00 4.81 -0.91 -3.12 114.58 116.12 1uf5 h GLU 86 Ca 0.06 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1uf5 h GLU 86 Cb 0.97 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.35 1uf5 h GLU 86 CO 0.09 0.03 -0.21 1.28 -0.73 0.00 0.00 179.01 179.48 1uf5 n LEU 87 N -5.07 0.88 -2.30 1.64 4.77 -0.33 -4.97 117.00 111.62 1uf5 n LEU 87 Ca -0.07 -0.19 -0.09 0.00 -0.03 0.00 0.00 56.01 55.63 1uf5 n LEU 87 Cb 0.04 -0.14 0.05 0.00 -2.33 0.00 0.00 43.42 41.05 1uf5 n LEU 87 CO 0.33 0.16 0.06 0.61 -1.33 0.00 0.00 177.39 177.22 1uf5 n GLY 88 N 1.32 0.01 2.68 -0.72 0.00 -0.36 -5.02 105.19 103.11 1uf5 n GLY 88 Ca 0.13 -0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.19 -0.14 0.93 -0.61 2.07 -0.32 -4.63 121.20 115.31 1uf5 s ILE 89 Ca 0.00 0.20 -0.14 0.00 -1.41 0.00 0.00 60.65 59.30 1uf5 s ILE 89 Cb -0.00 -0.33 0.18 0.00 0.13 0.00 0.00 42.46 42.44 1uf5 s ILE 89 CO 0.39 0.01 1.28 -0.83 -1.91 0.00 0.00 174.94 173.88 1uf5 s GLY 90 N 2.19 1.76 0.18 1.50 0.00 -0.60 -4.52 107.32 107.84 1uf5 s GLY 90 Ca 0.04 -1.18 -0.20 0.00 0.00 0.00 0.00 44.72 43.38 1uf5 s GLY 90 CO -0.06 -0.45 0.57 -0.11 0.00 0.00 0.00 173.10 173.05 1uf5 s PHE 91 N -3.80 -0.33 -0.24 1.90 -0.12 0.13 -0.89 117.98 114.63 1uf5 s PHE 91 Ca 0.72 0.03 -0.02 0.00 -0.05 0.00 0.00 56.93 57.61 1uf5 s PHE 91 Cb -0.05 0.50 0.02 0.00 -0.63 0.00 0.00 43.02 42.86 1uf5 s PHE 91 CO 0.52 -0.91 -0.05 1.21 -0.05 0.00 0.00 175.22 175.94 1uf5 s ASN 92 N -2.82 4.32 -0.13 1.98 3.84 -0.77 -0.38 114.94 120.99 1uf5 s ASN 92 Ca 0.05 -0.75 0.01 0.00 0.21 0.00 0.00 52.86 52.39 1uf5 s ASN 92 Cb -0.01 -1.69 -0.01 0.00 -0.55 0.00 0.00 41.25 38.99 1uf5 s ASN 92 CO -0.07 -0.10 -0.17 -0.22 -2.79 0.00 0.00 177.10 173.74 1uf5 s LEU 93 N 1.37 2.44 -0.01 3.21 2.96 -0.65 -0.97 118.68 127.04 1uf5 s LEU 93 Ca 0.02 -0.45 -0.05 0.00 -0.22 0.00 0.00 54.13 53.42 1uf5 s LEU 93 Cb -0.16 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 1uf5 s LEU 93 CO -0.04 0.13 0.23 -0.83 -1.32 0.00 0.00 176.35 174.52 1uf5 s GLY 94 N 0.54 2.22 0.14 7.98 0.00 -1.08 -1.44 107.32 115.67 1uf5 s GLY 94 Ca -0.11 -0.63 -0.25 0.00 0.00 0.00 0.00 44.72 43.73 1uf5 s GLY 94 CO 0.04 -0.46 0.82 -2.52 0.00 0.00 0.00 173.10 170.98 1uf5 s TYR 95 N -1.28 -0.28 -0.21 1.90 -0.85 0.56 -0.96 117.35 116.22 1uf5 s TYR 95 Ca 0.26 0.02 -0.19 0.00 -0.52 0.00 0.00 57.07 56.63 1uf5 s TYR 95 Cb -0.13 0.61 -0.03 0.00 0.38 0.00 0.00 41.96 42.79 1uf5 s TYR 95 CO 0.16 -0.83 0.57 0.00 -1.52 0.00 0.00 175.55 173.92 1uf5 s ALA 96 N -3.46 3.55 -0.23 9.51 0.00 -1.26 -0.91 121.76 128.97 1uf5 s ALA 96 Ca 0.08 -0.37 -0.08 0.00 0.00 0.00 0.00 51.96 51.59 1uf5 s ALA 96 Cb -0.02 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 1uf5 s ALA 96 CO -0.03 -0.53 0.08 -2.00 0.00 0.00 0.00 175.76 173.28 1uf5 s GLU 97 N 1.84 3.80 -0.21 0.00 2.12 -0.17 0.23 118.70 126.31 1uf5 s GLU 97 Ca 0.26 -0.41 -0.02 0.00 0.36 0.00 0.00 54.97 55.15 1uf5 s GLU 97 Cb -0.16 -3.32 0.00 0.00 0.26 0.00 0.00 34.13 30.92 1uf5 s GLU 97 CO 0.10 -0.01 -0.08 -1.17 -0.54 0.00 0.00 175.26 173.55 1uf5 s LEU 98 N 1.16 2.75 0.00 2.70 2.96 -0.63 -1.44 118.68 126.18 1uf5 s LEU 98 Ca 0.05 -0.51 0.08 0.00 -0.22 0.00 0.00 54.13 53.53 1uf5 s LEU 98 Cb -0.14 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 1uf5 s LEU 98 CO 0.04 -0.03 -0.26 -0.69 -1.32 0.00 0.00 176.35 174.09 1uf5 s VAL 99 N 1.42 2.06 -0.25 1.68 1.01 0.05 -4.44 120.40 121.93 1uf5 s VAL 99 Ca 0.05 -1.19 -0.02 0.00 0.00 0.00 0.00 61.98 60.82 1uf5 s VAL 99 Cb -0.14 -1.72 0.02 0.00 0.00 0.00 0.00 36.38 34.53 1uf5 s VAL 99 CO -0.06 0.50 -0.06 -0.69 0.00 0.00 0.00 175.10 174.80 1uf5 s VAL 100 N -0.67 2.96 -0.28 2.92 1.01 -1.26 0.74 120.40 125.82 1uf5 s VAL 100 Ca 0.10 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 1uf5 s VAL 100 Cb -0.10 -2.48 0.05 0.00 0.00 0.00 0.00 36.38 33.85 1uf5 s VAL 100 CO -0.00 0.22 -0.04 -1.61 0.00 0.00 0.00 175.10 173.68 1uf5 s GLU 101 N 1.35 2.45 -1.49 2.72 2.02 0.15 -4.66 118.70 121.23 1uf5 s GLU 101 Ca 0.01 -1.24 -0.12 0.00 0.02 0.00 0.00 54.97 53.64 1uf5 s GLU 101 Cb -0.16 -3.08 0.07 0.00 0.10 0.00 0.00 34.13 31.06 1uf5 s GLU 101 CO -0.04 -0.57 0.95 0.41 0.02 0.00 0.00 175.26 176.03 1uf5 n GLY 102 N 4.58 -0.47 2.78 -1.39 0.00 -1.26 -0.66 105.19 108.78 1uf5 n GLY 102 Ca -0.14 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.70 1.01 3.64 -0.02 0.00 -1.26 -5.02 105.19 101.84 1uf5 n GLY 103 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.83 4.78 0.02 1.61 1.01 0.17 -5.08 120.40 119.08 1uf5 s VAL 104 Ca 0.00 -0.04 -0.26 0.00 0.00 0.00 0.00 61.98 61.69 1uf5 s VAL 104 Cb 0.00 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 1uf5 s VAL 104 CO 0.00 0.47 0.79 -0.54 0.00 0.00 0.00 175.10 175.82 1uf5 s LYS 105 N 0.31 4.50 -0.09 2.72 1.02 -1.26 0.32 119.74 127.26 1uf5 s LYS 105 Ca 0.03 1.09 0.03 0.00 0.02 0.00 0.00 55.97 57.15 1uf5 s LYS 105 Cb -0.12 -3.40 -0.01 0.00 -0.52 0.00 0.00 37.83 33.78 1uf5 s LYS 105 CO 0.00 0.18 -0.20 1.03 -0.92 0.00 0.00 175.35 175.44 1uf5 s ARG 106 N 0.30 2.98 -0.08 1.68 0.52 0.23 -4.97 118.95 119.60 1uf5 s ARG 106 Ca 0.41 -0.81 0.04 0.00 -0.52 0.00 0.00 55.73 54.84 1uf5 s ARG 106 Cb -0.20 -2.37 -0.00 0.00 0.52 0.00 0.00 34.95 32.90 1uf5 s ARG 106 CO 0.23 0.28 -0.22 1.03 0.02 0.00 0.00 175.30 176.63 1uf5 s ARG 107 N 0.13 2.71 0.05 3.54 0.52 -1.26 -0.77 118.95 123.86 1uf5 s ARG 107 Ca -0.10 -0.81 0.02 0.00 -0.52 0.00 0.00 55.73 54.32 1uf5 s ARG 107 Cb -0.16 -2.11 -0.03 0.00 0.52 0.00 0.00 34.95 33.17 1uf5 s ARG 107 CO 0.06 0.20 -0.07 -0.06 0.02 0.00 0.00 175.30 175.45 1uf5 s PHE 108 N 0.27 0.69 -0.43 -0.53 0.40 -0.52 -0.84 117.98 117.01 1uf5 s PHE 108 Ca -0.15 -0.61 -0.16 0.00 -0.60 0.00 0.00 56.93 55.41 1uf5 s PHE 108 Cb -0.17 -0.41 0.03 0.00 0.51 0.00 0.00 43.02 42.98 1uf5 s PHE 108 CO 0.07 -0.11 0.40 1.21 0.70 0.00 0.00 175.22 177.48 1uf5 s ASN 109 N -1.92 6.16 0.29 1.36 3.84 -1.26 -1.00 114.94 122.42 1uf5 s ASN 109 Ca -0.05 -0.82 0.11 0.00 0.21 0.00 0.00 52.86 52.31 1uf5 s ASN 109 Cb -0.06 -2.20 -0.05 0.00 -0.55 0.00 0.00 41.25 38.38 1uf5 s ASN 109 CO -0.01 -0.56 -0.16 -0.89 -2.79 0.00 0.00 177.10 172.69 1uf5 s THR 110 N 1.97 2.59 -0.07 -5.21 2.01 -0.08 -0.73 115.64 116.12 1uf5 s THR 110 Ca 0.09 -2.31 -0.08 0.00 0.31 0.00 0.00 61.69 59.71 1uf5 s THR 110 Cb -0.18 -2.43 0.02 0.00 0.01 0.00 0.00 72.50 69.92 1uf5 s THR 110 CO 0.12 -0.37 0.22 -0.94 -0.69 0.00 0.00 174.62 172.95 1uf5 s SER 111 N -3.55 -0.20 0.13 3.53 1.04 -0.63 -0.33 113.70 113.69 1uf5 s SER 111 Ca 0.31 0.37 0.07 0.00 0.48 0.00 0.00 55.95 57.18 1uf5 s SER 111 Cb -0.04 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 1uf5 s SER 111 CO 0.16 -0.12 -0.17 0.27 0.98 0.00 0.00 173.24 174.36 1uf5 s ILE 112 N -0.08 1.61 -0.18 -1.02 -4.36 -0.52 -1.09 121.20 115.55 1uf5 s ILE 112 Ca -0.02 -1.75 -0.05 0.00 -0.26 0.00 0.00 60.65 58.57 1uf5 s ILE 112 Cb -0.02 -1.65 -0.03 0.00 1.25 0.00 0.00 42.46 42.01 1uf5 s ILE 112 CO 0.01 -0.29 0.00 -0.76 0.24 0.00 0.00 174.94 174.14 1uf5 s LEU 113 N -2.39 3.38 -0.10 0.37 1.43 -0.07 -1.63 118.68 119.66 1uf5 s LEU 113 Ca 0.11 -0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.12 1uf5 s LEU 113 Cb -0.07 -1.84 -0.00 0.00 0.03 0.00 0.00 46.19 44.31 1uf5 s LEU 113 CO 0.05 0.11 -0.22 -0.69 0.23 0.00 0.00 176.35 175.83 1uf5 s VAL 114 N 0.70 2.24 0.91 -1.59 1.01 0.49 -0.76 120.40 123.40 1uf5 s VAL 114 Ca 0.00 -0.96 -0.13 0.00 0.00 0.00 0.00 61.98 60.89 1uf5 s VAL 114 Cb -0.14 -1.87 0.18 0.00 0.00 0.00 0.00 36.38 34.55 1uf5 s VAL 114 CO 0.02 0.55 1.26 1.51 0.00 0.00 0.00 175.10 178.44 1uf5 s ASP 115 N 0.31 3.43 0.00 3.32 1.47 -0.44 -0.69 116.67 124.07 1uf5 s ASP 115 Ca -0.17 0.20 0.08 0.00 1.18 0.00 0.00 52.55 53.85 1uf5 s ASP 115 Cb -0.17 -0.34 0.50 0.00 -0.34 0.00 0.00 42.92 42.57 1uf5 s ASP 115 CO 0.08 -2.52 0.92 2.29 0.68 0.00 0.00 175.17 176.61 1uf5 n LYS 116 N -3.58 0.32 -0.03 2.11 2.85 -1.26 -0.50 118.16 118.07 1uf5 n LYS 116 Ca 0.15 0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.49 1uf5 n LYS 116 Cb 0.60 -1.41 0.09 0.00 -0.65 0.00 0.00 35.03 33.66 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 -0.91 2.57 -0.09 -5.58 7.64 -1.26 -4.07 113.62 111.92 1uf5 n SER 117 Ca 0.06 -1.76 -0.01 0.00 1.01 0.00 0.00 58.87 58.17 1uf5 n SER 117 Cb 0.03 -0.03 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 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 1.01 0.49 3.82 0.23 0.00 0.34 -4.57 105.19 106.52 1uf5 n GLY 118 Ca 0.11 -0.83 -0.36 0.00 0.00 0.00 0.00 46.02 44.94 1uf5 n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uf5 s LYS 119 N -1.76 3.31 -0.15 1.61 1.02 -1.26 -4.86 119.74 117.65 1uf5 s LYS 119 Ca 0.00 -0.22 -0.29 0.00 0.02 0.00 0.00 55.97 55.48 1uf5 s LYS 119 Cb 0.00 -3.07 -0.02 0.00 -0.52 0.00 0.00 37.83 34.22 1uf5 s LYS 119 CO 0.00 0.75 1.24 0.42 -0.92 0.00 0.00 175.35 176.84 1uf5 s ILE 120 N -1.00 4.31 -0.61 2.17 1.01 -1.26 -1.33 121.20 124.49 1uf5 s ILE 120 Ca 0.15 1.59 0.05 0.00 0.00 0.00 0.00 60.65 62.44 1uf5 s ILE 120 Cb -0.12 -4.02 0.08 0.00 0.01 0.00 0.00 42.46 38.41 1uf5 s ILE 120 CO 0.04 -0.12 0.83 1.33 0.00 0.00 0.00 174.94 177.02 1uf5 n VAL 121 N 5.25 0.35 -3.63 2.92 0.24 0.06 -4.97 118.33 118.54 1uf5 n VAL 121 Ca 0.13 -0.67 -0.03 0.00 -2.04 0.00 0.00 64.34 61.73 1uf5 n VAL 121 Cb 0.45 0.90 -0.04 0.00 -1.47 0.00 0.00 33.84 33.69 1uf5 n VAL 121 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1uf5 s GLY 122 N -0.65 -0.01 0.05 7.63 0.00 -1.18 -4.79 107.32 108.37 1uf5 s GLY 122 Ca 0.08 2.55 0.02 0.00 0.00 0.00 0.00 44.72 47.37 1uf5 s GLY 122 CO 0.07 1.00 -0.06 1.25 0.00 0.00 0.00 173.10 175.36 1uf5 s LYS 123 N -1.26 0.54 -0.04 2.90 2.20 -1.26 -0.89 119.74 121.92 1uf5 s LYS 123 Ca 0.08 -0.84 -0.06 0.00 -0.36 0.00 0.00 55.97 54.79 1uf5 s LYS 123 Cb -0.01 -0.17 0.01 0.00 -1.51 0.00 0.00 37.83 36.15 1uf5 s LYS 123 CO -0.06 0.01 0.16 -0.47 -0.36 0.00 0.00 175.35 174.63 1uf5 s TYR 124 N -1.87 -0.11 -0.14 4.03 5.04 -0.25 -4.88 117.35 119.17 1uf5 s TYR 124 Ca -0.07 0.26 0.02 0.00 -2.44 0.00 0.00 57.07 54.84 1uf5 s TYR 124 Cb -0.07 0.03 0.01 0.00 0.35 0.00 0.00 41.96 42.28 1uf5 s TYR 124 CO -0.01 -0.15 -0.19 1.03 -1.34 0.00 0.00 175.55 174.89 1uf5 s ARG 125 N -0.37 2.69 -0.38 4.97 0.52 -1.26 -1.60 118.95 123.51 1uf5 s ARG 125 Ca -0.05 -0.73 -0.43 0.00 -0.52 0.00 0.00 55.73 54.01 1uf5 s ARG 125 Cb -0.03 -2.24 -0.17 0.00 0.52 0.00 0.00 34.95 33.02 1uf5 s ARG 125 CO 0.01 -0.08 1.73 1.17 0.02 0.00 0.00 175.30 178.15 1uf5 n LYS 126 N 4.25 0.65 -0.03 3.54 4.81 0.09 -3.63 118.16 127.84 1uf5 n LYS 126 Ca -0.19 0.24 -0.15 0.00 -0.87 0.00 0.00 58.31 57.33 1uf5 n LYS 126 Cb 0.51 -1.86 -0.14 0.00 0.02 0.00 0.00 35.03 33.56 1uf5 n LYS 126 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1uf5 n ILE 127 N 4.60 1.65 -3.25 3.15 5.41 -1.26 -0.47 119.36 129.19 1uf5 n ILE 127 Ca 0.30 -0.72 -0.46 0.00 1.00 0.00 0.00 62.75 62.88 1uf5 n ILE 127 Cb 0.05 -1.32 -0.05 0.00 -0.71 0.00 0.00 39.64 37.61 1uf5 n ILE 127 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1uf5 s HIS 128 N -2.56 3.20 -0.28 1.39 3.76 -1.26 -4.58 115.29 114.95 1uf5 s HIS 128 Ca -0.17 -1.23 -0.17 0.00 -0.15 0.00 0.00 55.06 53.35 1uf5 s HIS 128 Cb 0.07 -3.87 -0.02 0.00 1.11 0.00 0.00 32.58 29.87 1uf5 s HIS 128 CO 0.77 -1.10 0.48 -0.51 -0.85 0.00 0.00 174.74 173.53 1uf5 s LEU 129 N 1.86 4.11 0.00 0.89 1.43 -1.26 -4.41 118.68 121.30 1uf5 s LEU 129 Ca 0.06 0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 53.49 1uf5 s LEU 129 Cb -0.27 -2.59 0.14 0.00 0.03 0.00 0.00 46.19 43.50 1uf5 s LEU 129 CO 0.03 -0.30 0.96 -0.81 0.23 0.00 0.00 176.35 176.46 1uf5 n PRO 130 N 5.53 -0.24 0.00 1.29 -0.04 -1.26 -4.83 135.00 135.46 1uf5 n PRO 130 Ca -0.05 -2.37 0.00 0.00 -0.04 0.00 0.00 63.50 61.04 1uf5 n PRO 130 Cb 0.50 -0.71 0.00 0.00 -0.04 0.00 0.00 33.50 33.25 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 -2.13 -0.94 3.63 0.55 0.00 -1.26 -4.19 105.19 100.87 1uf5 n GLY 131 Ca 0.15 -1.66 -0.29 0.00 0.00 0.00 0.00 46.02 44.22 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 2.31 -0.13 1.61 -3.43 -0.94 -5.00 115.29 109.70 1uf5 s HIS 132 Ca 0.00 -0.78 0.17 0.00 -0.80 0.00 0.00 55.06 53.65 1uf5 s HIS 132 Cb 0.00 -1.68 -0.24 0.00 -1.43 0.00 0.00 32.58 29.23 1uf5 s HIS 132 CO 0.00 0.34 0.16 1.17 -2.00 0.00 0.00 174.74 174.41 1uf5 n LYS 133 N -1.01 0.95 -4.38 -0.38 0.00 -1.26 -4.38 118.16 107.69 1uf5 n LYS 133 Ca -0.08 -0.05 -0.24 0.00 0.00 0.00 0.00 58.31 57.94 1uf5 n LYS 133 Cb 0.67 -1.46 -0.09 0.00 0.00 0.00 0.00 35.03 34.16 1uf5 n LYS 133 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1uf5 s GLU 134 N -2.68 1.99 0.26 1.64 2.02 -1.26 -4.76 118.70 115.91 1uf5 s GLU 134 Ca -0.08 -1.67 -0.30 0.00 0.02 0.00 0.00 54.97 52.93 1uf5 s GLU 134 Cb 0.07 -1.93 -0.11 0.00 0.10 0.00 0.00 34.13 32.26 1uf5 s GLU 134 CO 0.75 0.27 1.59 -0.47 0.02 0.00 0.00 175.26 177.42 1uf5 s TYR 135 N -2.46 2.85 -0.29 1.61 5.04 -1.26 -4.98 117.35 117.86 1uf5 s TYR 135 Ca 0.32 0.73 0.02 0.00 -2.44 0.00 0.00 57.07 55.70 1uf5 s TYR 135 Cb -0.04 -4.03 0.08 0.00 0.35 0.00 0.00 41.96 38.33 1uf5 s TYR 135 CO 0.18 -3.55 0.00 -1.21 -1.34 0.00 0.00 175.55 169.63 1uf5 s GLU 136 N -0.03 1.47 0.39 4.97 2.02 -1.26 -5.03 118.70 121.24 1uf5 s GLU 136 Ca 0.65 -1.35 0.15 0.00 0.02 0.00 0.00 54.97 54.45 1uf5 s GLU 136 Cb -0.47 -2.72 1.02 0.00 0.10 0.00 0.00 34.13 32.06 1uf5 s GLU 136 CO 0.43 -0.78 1.82 0.00 0.02 0.00 0.00 175.26 176.74 1uf5 h ALA 137 N 7.84 2.11 0.00 5.21 0.00 -2.02 -2.57 119.26 129.83 1uf5 h ALA 137 Ca -0.12 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1uf5 h ALA 137 Cb 1.04 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1uf5 h ALA 137 CO 0.47 -0.44 -0.13 0.10 0.00 0.00 0.00 179.25 179.25 1uf5 h TYR 138 N 0.48 0.00 -3.43 0.00 -0.00 -2.01 -3.45 116.97 108.56 1uf5 h TYR 138 Ca 0.52 0.00 -0.52 0.00 -0.00 0.00 0.00 58.73 58.73 1uf5 h TYR 138 Cb 1.20 0.00 0.03 0.00 -0.00 0.00 0.00 36.73 37.97 1uf5 h TYR 138 CO -0.00 0.13 0.63 1.03 -0.00 0.00 0.00 178.16 179.95 1uf5 s ARG 139 N -3.88 4.41 0.47 0.10 0.52 -0.97 -4.92 118.95 114.69 1uf5 s ARG 139 Ca -0.01 2.02 0.25 0.00 -0.52 0.00 0.00 55.73 57.48 1uf5 s ARG 139 Cb 0.11 -3.20 1.12 0.00 0.52 0.00 0.00 34.95 33.50 1uf5 s ARG 139 CO 0.58 -0.21 1.92 -1.00 0.02 0.00 0.00 175.30 176.61 1uf5 h PRO 140 N 5.23 0.00 -2.56 3.54 0.13 -1.90 -3.43 132.00 133.01 1uf5 h PRO 140 Ca -0.45 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.59 1uf5 h PRO 140 Cb 1.21 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.14 1uf5 h PRO 140 CO 0.76 0.19 -0.09 -0.59 -0.23 0.00 0.00 178.00 178.04 1uf5 s PHE 141 N -3.83 -0.44 0.74 1.56 -0.71 -1.26 -5.08 117.98 108.95 1uf5 s PHE 141 Ca -0.01 0.85 -0.02 0.00 -1.04 0.00 0.00 56.93 56.72 1uf5 s PHE 141 Cb 0.11 0.22 0.13 0.00 -1.21 0.00 0.00 43.02 42.28 1uf5 s PHE 141 CO 0.62 -0.42 1.02 -0.65 -1.34 0.00 0.00 175.22 174.44 1uf5 s GLN 142 N -0.82 1.61 -0.46 1.99 -1.52 -0.03 -4.96 119.66 115.46 1uf5 s GLN 142 Ca -0.09 -1.08 0.06 0.00 -1.95 0.00 0.00 55.36 52.30 1uf5 s GLN 142 Cb -0.03 -2.30 0.20 0.00 -0.22 0.00 0.00 33.01 30.66 1uf5 s GLN 142 CO 0.05 -1.51 0.60 1.58 -0.25 0.00 0.00 175.29 175.76 1uf5 n HIS 143 N -2.89 -2.39 -1.45 0.91 -0.00 -1.23 -3.95 115.22 104.23 1uf5 n HIS 143 Ca 0.15 -2.33 -0.35 0.00 0.46 0.00 0.00 57.72 55.65 1uf5 n HIS 143 Cb 0.61 0.87 0.06 0.00 -0.12 0.00 0.00 29.99 31.41 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 2.51 7.55 0.08 0.27 4.77 -0.28 -2.20 117.00 129.69 1uf5 n LEU 144 Ca 0.21 -4.35 0.03 0.00 -0.03 0.00 0.00 56.01 51.87 1uf5 n LEU 144 Cb 0.54 -1.02 0.42 0.00 -2.33 0.00 0.00 43.42 41.03 1uf5 n LEU 144 CO 0.05 1.53 1.00 -0.33 -1.33 0.00 0.00 177.39 178.31 1uf5 h GLU 145 N 2.24 0.35 0.00 3.23 5.08 -1.79 -1.88 114.58 121.81 1uf5 h GLU 145 Ca 0.57 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.87 1uf5 h GLU 145 Cb 0.62 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1uf5 h GLU 145 CO 1.48 0.35 -0.05 0.87 -1.00 0.00 0.00 179.01 180.66 1uf5 h LYS 146 N 0.34 0.00 0.10 2.33 1.57 -1.77 0.19 116.57 119.33 1uf5 h LYS 146 Ca 0.08 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.51 1uf5 h LYS 146 Cb 0.19 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 1uf5 h LYS 146 CO 0.00 0.05 -1.97 -2.13 -0.57 0.00 0.00 179.45 174.83 1uf5 n ARG 147 N -3.34 0.73 0.00 3.15 0.63 -0.75 -4.38 116.66 112.70 1uf5 n ARG 147 Ca -0.02 0.26 0.12 0.00 -0.92 0.00 0.00 57.85 57.30 1uf5 n ARG 147 Cb 0.20 -1.71 0.33 0.00 0.45 0.00 0.00 32.46 31.73 1uf5 n ARG 147 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1uf5 n TYR 148 N -3.38 0.00 -4.06 -0.14 0.53 -0.93 -4.91 117.16 104.27 1uf5 n TYR 148 Ca -0.30 0.00 -0.09 0.00 -1.02 0.00 0.00 57.90 56.50 1uf5 n TYR 148 Cb 1.05 -0.26 -0.10 0.00 -1.03 0.00 0.00 39.34 38.99 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 -2.92 0.50 0.03 -0.72 0.40 0.03 -4.65 117.98 110.65 1uf5 s PHE 149 Ca 0.14 -0.83 0.02 0.00 -0.60 0.00 0.00 56.93 55.65 1uf5 s PHE 149 Cb 0.18 -0.34 -0.04 0.00 0.51 0.00 0.00 43.02 43.33 1uf5 s PHE 149 CO 0.65 -0.27 0.06 -1.21 0.70 0.00 0.00 175.22 175.15 1uf5 s GLU 150 N -2.93 2.90 0.39 0.44 2.02 -0.02 -4.59 118.70 116.91 1uf5 s GLU 150 Ca -0.01 -0.61 -0.27 0.00 0.02 0.00 0.00 54.97 54.09 1uf5 s GLU 150 Cb 0.00 -2.75 -0.10 0.00 0.10 0.00 0.00 34.13 31.38 1uf5 s GLU 150 CO -0.06 0.60 1.47 -2.14 0.02 0.00 0.00 175.26 175.16 1uf5 s PRO 151 N -1.99 4.01 0.54 0.39 0.02 -1.26 -4.67 135.00 132.04 1uf5 s PRO 151 Ca 0.25 2.53 -0.20 0.00 0.02 0.00 0.00 61.00 63.60 1uf5 s PRO 151 Cb -0.12 -2.89 -0.08 0.00 0.02 0.00 0.00 34.50 31.43 1uf5 s PRO 151 CO 0.17 -0.60 0.79 0.41 -0.33 0.00 0.00 177.00 177.44 1uf5 n GLY 152 N 0.50 -0.78 0.38 0.52 0.00 0.38 -4.94 105.19 101.25 1uf5 n GLY 152 Ca 0.02 -0.08 0.05 0.00 0.00 0.00 0.00 46.02 46.01 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 0.05 2.70 -0.76 1.61 5.75 -1.26 -4.60 116.55 120.03 1uf5 n ASP 153 Ca 0.12 -2.37 0.09 0.00 -0.01 0.00 0.00 54.79 52.62 1uf5 n ASP 153 Cb 0.45 -0.25 0.10 0.00 -1.03 0.00 0.00 41.12 40.40 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 -0.33 2.65 0.00 -2.12 4.77 -1.26 -5.09 117.00 115.61 1uf5 n LEU 154 Ca 0.10 -1.16 0.00 0.00 -0.03 0.00 0.00 56.01 54.92 1uf5 n LEU 154 Cb 0.49 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1uf5 n LEU 154 CO 0.05 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1uf5 n GLY 155 N 1.02 -0.05 2.94 -0.72 0.00 -1.26 -4.17 105.19 102.95 1uf5 n GLY 155 Ca 0.12 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 1uf5 n GLY 155 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1uf5 n PHE 156 N 0.00 3.68 -1.52 1.61 3.01 -1.26 -4.73 117.46 118.25 1uf5 n PHE 156 Ca 0.00 -4.16 -0.31 0.00 1.01 0.00 0.00 57.45 53.99 1uf5 n PHE 156 Cb 0.00 -0.85 0.06 0.00 -0.01 0.00 0.00 39.48 38.68 1uf5 n PHE 156 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1uf5 s PRO 157 N -1.61 2.70 -0.09 -1.08 0.04 -1.26 -4.45 135.00 129.25 1uf5 s PRO 157 Ca 0.28 0.93 0.02 0.00 0.04 0.00 0.00 61.00 62.27 1uf5 s PRO 157 Cb -0.03 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.56 1uf5 s PRO 157 CO -0.13 -1.26 -0.13 0.08 0.04 0.00 0.00 177.00 175.60 1uf5 s VAL 158 N -3.04 1.29 0.20 -0.36 1.01 -1.26 -4.12 120.40 114.12 1uf5 s VAL 158 Ca 0.59 -0.54 0.10 0.00 0.00 0.00 0.00 61.98 62.13 1uf5 s VAL 158 Cb -0.15 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1uf5 s VAL 158 CO 0.55 0.40 -0.13 -0.31 0.00 0.00 0.00 175.10 175.60 1uf5 s TYR 159 N 0.88 2.52 -0.20 5.22 1.51 0.47 -4.90 117.35 122.85 1uf5 s TYR 159 Ca -0.10 -0.27 -0.24 0.00 -1.01 0.00 0.00 57.07 55.45 1uf5 s TYR 159 Cb -0.15 -1.21 -0.01 0.00 -0.11 0.00 0.00 41.96 40.48 1uf5 s TYR 159 CO 0.01 0.54 0.79 -0.51 -1.11 0.00 0.00 175.55 175.27 1uf5 s ASP 160 N -2.94 6.86 -0.31 2.29 -0.00 -1.26 -0.30 116.67 121.01 1uf5 s ASP 160 Ca 0.25 1.06 -0.00 0.00 -0.00 0.00 0.00 52.55 53.86 1uf5 s ASP 160 Cb -0.08 -2.43 0.10 0.00 -0.00 0.00 0.00 42.92 40.51 1uf5 s ASP 160 CO 0.14 -0.41 0.09 -0.69 -0.00 0.00 0.00 175.17 174.29 1uf5 s VAL 161 N 2.34 0.99 -1.25 -1.27 1.01 0.98 -4.87 120.40 118.33 1uf5 s VAL 161 Ca 0.35 -1.43 -0.12 0.00 0.00 0.00 0.00 61.98 60.78 1uf5 s VAL 161 Cb -0.16 -1.72 -0.00 0.00 0.00 0.00 0.00 36.38 34.49 1uf5 s VAL 161 CO 0.10 -0.63 0.65 0.47 0.00 0.00 0.00 175.10 175.69 1uf5 n ASP 162 N 4.80 -3.19 -0.48 3.32 8.00 -1.26 -1.76 116.55 125.98 1uf5 n ASP 162 Ca -0.02 -1.01 -0.06 0.00 0.71 0.00 0.00 54.79 54.41 1uf5 n ASP 162 Cb 0.42 -3.27 -0.03 0.00 -0.02 0.00 0.00 41.12 38.23 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 -4.30 -0.10 -2.72 2.24 0.00 -1.26 -5.00 120.51 109.37 1uf5 n ALA 163 Ca -0.19 0.10 -0.25 0.00 0.00 0.00 0.00 53.44 53.11 1uf5 n ALA 163 Cb 0.63 -1.06 -0.16 0.00 0.00 0.00 0.00 19.45 18.86 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 -2.04 1.42 -0.40 0.00 0.00 -0.72 -4.93 121.76 115.09 1uf5 s ALA 164 Ca 0.00 -0.68 -0.21 0.00 0.00 0.00 0.00 51.96 51.07 1uf5 s ALA 164 Cb 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 23.12 22.71 1uf5 s ALA 164 CO 0.00 0.30 0.64 0.15 0.00 0.00 0.00 175.76 176.85 1uf5 s LYS 165 N -0.16 3.47 -0.05 0.00 1.02 -1.26 -0.02 119.74 122.75 1uf5 s LYS 165 Ca 0.01 -0.17 0.06 0.00 0.02 0.00 0.00 55.97 55.89 1uf5 s LYS 165 Cb -0.09 -3.88 -0.02 0.00 -0.52 0.00 0.00 37.83 33.32 1uf5 s LYS 165 CO 0.01 -0.88 -0.23 -1.64 -0.92 0.00 0.00 175.35 171.69 1uf5 s MET 166 N 2.77 2.43 0.15 1.68 -1.94 0.59 -0.11 119.30 124.88 1uf5 s MET 166 Ca 0.23 -0.87 0.11 0.00 -1.71 0.00 0.00 55.69 53.45 1uf5 s MET 166 Cb -0.14 -2.17 -0.04 0.00 2.01 0.00 0.00 34.83 34.48 1uf5 s MET 166 CO 0.17 0.47 -0.23 0.20 -0.01 0.00 0.00 175.02 175.62 1uf5 s GLY 167 N -0.37 1.66 0.03 -0.03 0.00 -0.05 -0.40 107.32 108.16 1uf5 s GLY 167 Ca 0.03 -1.51 0.06 0.00 0.00 0.00 0.00 44.72 43.30 1uf5 s GLY 167 CO 0.02 -1.51 -0.15 1.06 0.00 0.00 0.00 173.10 172.52 1uf5 s MET 168 N -2.35 2.21 0.10 2.90 -1.94 -1.26 -1.21 119.30 117.76 1uf5 s MET 168 Ca 0.18 -0.91 0.03 0.00 -1.71 0.00 0.00 55.69 53.28 1uf5 s MET 168 Cb -0.09 -2.27 -0.04 0.00 2.01 0.00 0.00 34.83 34.44 1uf5 s MET 168 CO 0.09 0.56 -0.09 -0.59 -0.01 0.00 0.00 175.02 174.97 1uf5 s PHE 169 N -0.94 1.05 -0.12 -0.03 -0.12 -0.72 -4.90 117.98 112.20 1uf5 s PHE 169 Ca 0.15 -0.72 -0.01 0.00 -0.05 0.00 0.00 56.93 56.31 1uf5 s PHE 169 Cb -0.11 -0.57 0.03 0.00 -0.63 0.00 0.00 43.02 41.74 1uf5 s PHE 169 CO 0.06 -0.02 -0.07 0.42 -0.05 0.00 0.00 175.22 175.56 1uf5 s ILE 170 N -2.81 0.99 0.00 -4.49 1.01 -1.26 -4.06 121.20 110.58 1uf5 s ILE 170 Ca 0.08 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.42 1uf5 s ILE 170 Cb -0.00 -1.04 0.00 0.00 0.01 0.00 0.00 42.46 41.42 1uf5 s ILE 170 CO -0.01 0.32 0.00 0.00 0.00 0.00 0.00 174.94 175.25 1uf5 n ALA 171 N 4.95 0.00 -0.43 9.38 0.00 0.11 -1.27 120.51 133.25 1uf5 n ALA 171 Ca -0.12 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.69 1uf5 n ALA 171 Cb 0.50 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.63 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 0.17 -0.99 0.00 -0.73 -1.87 -0.21 115.58 111.94 1uf5 h ASN 172 Ca 0.00 0.06 0.24 0.00 1.87 0.00 0.00 56.30 58.47 1uf5 h ASN 172 Cb 0.00 0.04 -0.08 0.00 0.27 0.00 0.00 38.32 38.55 1uf5 h ASN 172 CO 0.00 -0.04 0.65 0.44 -0.37 0.00 0.00 177.43 178.11 1uf5 h ASP 173 N 0.11 0.40 0.10 1.15 3.32 -1.39 -1.20 116.42 118.91 1uf5 h ASP 173 Ca 0.72 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.83 1uf5 h ASP 173 Cb 2.48 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 42.02 1uf5 h ASP 173 CO -0.19 0.12 0.00 0.08 -1.72 0.00 0.00 179.24 177.52 1uf5 h ARG 174 N 0.37 0.00 -0.00 3.56 0.11 -1.25 -1.58 114.38 115.60 1uf5 h ARG 174 Ca 0.54 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.62 1uf5 h ARG 174 Cb 1.41 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.49 1uf5 h ARG 174 CO -0.22 0.00 -0.36 0.54 0.10 0.00 0.00 179.97 180.02 1uf5 n ARG 175 N -2.38 0.44 -3.61 0.08 1.74 -0.45 -4.64 116.66 107.84 1uf5 n ARG 175 Ca -0.01 -0.25 -0.40 0.00 -0.77 0.00 0.00 57.85 56.42 1uf5 n ARG 175 Cb 0.06 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 29.90 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 -2.73 3.21 0.57 -1.55 0.52 -0.60 -4.97 118.94 113.39 1uf5 s TRP 176 Ca 0.18 -0.63 0.27 0.00 0.02 0.00 0.00 56.10 55.94 1uf5 s TRP 176 Cb 0.18 -2.41 1.54 0.00 -1.15 0.00 0.00 33.47 31.64 1uf5 s TRP 176 CO 0.60 -0.50 2.06 -1.00 0.02 0.00 0.00 176.95 178.13 1uf5 h PRO 177 N 8.41 0.00 -0.71 4.98 0.13 -1.87 -2.10 132.00 140.85 1uf5 h PRO 177 Ca -0.30 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.80 1uf5 h PRO 177 Cb 1.13 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 1uf5 h PRO 177 CO 0.64 0.00 0.31 0.93 -0.23 0.00 0.00 178.00 179.65 1uf5 h GLU 178 N 0.00 1.03 0.07 0.86 3.07 -1.93 0.19 114.58 117.88 1uf5 h GLU 178 Ca 0.13 -0.17 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1uf5 h GLU 178 Cb 0.62 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 1uf5 h GLU 178 CO -0.00 0.83 -0.03 0.00 -1.40 0.00 0.00 179.01 178.41 1uf5 h ALA 179 N 1.15 -0.09 -0.33 3.43 0.00 -1.67 -1.31 119.26 120.44 1uf5 h ALA 179 Ca 0.24 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1uf5 h ALA 179 Cb 0.16 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1uf5 h ALA 179 CO -0.03 -0.53 0.20 -1.49 0.00 0.00 0.00 179.25 177.40 1uf5 h TRP 180 N -0.13 0.38 -0.65 0.00 4.06 -1.53 -2.91 115.95 115.17 1uf5 h TRP 180 Ca -0.01 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.94 1uf5 h TRP 180 Cb 0.11 -0.12 -0.03 0.00 -1.00 0.00 0.00 29.16 28.11 1uf5 h TRP 180 CO -0.06 0.23 0.34 -0.09 -3.56 0.00 0.00 178.44 175.30 1uf5 h ARG 181 N 0.41 0.91 -0.52 0.49 9.65 -0.77 0.17 114.38 124.73 1uf5 h ARG 181 Ca 0.12 -0.12 0.01 0.00 -1.10 0.00 0.00 59.98 58.90 1uf5 h ARG 181 Cb -0.02 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 28.36 1uf5 h ARG 181 CO -0.05 0.70 0.34 0.28 2.80 0.00 0.00 179.97 184.04 1uf5 h VAL 182 N 0.89 1.12 -0.07 0.20 2.07 -1.17 0.17 116.25 119.45 1uf5 h VAL 182 Ca 0.23 -0.23 -0.11 0.00 0.82 0.00 0.00 66.70 67.40 1uf5 h VAL 182 Cb 0.06 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1uf5 h VAL 182 CO -0.03 0.12 -0.47 0.24 0.02 0.00 0.00 177.57 177.45 1uf5 h MET 183 N 0.68 0.16 -0.60 1.57 2.86 -1.28 -2.15 114.93 116.18 1uf5 h MET 183 Ca 0.19 -0.09 -0.09 0.00 -2.06 0.00 0.00 59.70 57.66 1uf5 h MET 183 Cb -0.06 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 1uf5 h MET 183 CO -0.05 0.60 0.04 0.78 1.06 0.00 0.00 176.91 179.34 1uf5 h GLY 184 N 1.34 1.11 2.00 8.32 0.00 0.14 -1.58 103.07 114.40 1uf5 h GLY 184 Ca 0.01 -0.79 -0.02 0.00 0.00 0.00 0.00 47.33 46.53 1uf5 h GLY 184 CO 0.07 0.73 -0.09 1.41 0.00 0.00 0.00 176.54 178.66 1uf5 h LEU 185 N 0.92 0.00 -1.30 3.11 3.38 -0.37 -1.37 115.31 119.69 1uf5 h LEU 185 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1uf5 h LEU 185 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1uf5 h LEU 185 CO 0.02 0.09 0.00 0.54 0.09 0.00 0.00 178.44 179.18 1uf5 n ARG 186 N -3.29 1.84 -0.99 1.13 1.74 -0.84 -4.94 116.66 111.30 1uf5 n ARG 186 Ca -0.01 -1.28 0.00 0.00 -0.77 0.00 0.00 57.85 55.80 1uf5 n ARG 186 Cb 0.29 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 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 0.40 3.71 -0.13 0.00 -0.51 -4.93 105.19 104.87 1uf5 n GLY 187 Ca 0.15 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 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 0.86 1.74 -0.05 4.61 0.00 -0.65 -4.84 120.51 122.18 1uf5 n ALA 188 Ca 0.00 0.39 -0.01 0.00 0.00 0.00 0.00 53.44 53.82 1uf5 n ALA 188 Cb 0.01 -2.35 -0.15 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 1.87 0.81 -4.07 0.00 1.02 0.85 -4.73 120.64 116.39 1uf5 n GLU 189 Ca 0.09 -0.09 -0.19 0.00 -0.02 0.00 0.00 57.16 56.96 1uf5 n GLU 189 Cb 0.34 -1.47 -0.16 0.00 -0.02 0.00 0.00 31.44 30.13 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 -2.87 0.39 -0.19 -3.67 1.01 -0.84 -0.87 121.20 114.17 1uf5 s ILE 190 Ca -0.08 -0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.54 1uf5 s ILE 190 Cb 0.09 -0.44 0.03 0.00 0.01 0.00 0.00 42.46 42.14 1uf5 s ILE 190 CO 0.79 0.19 -0.18 -0.63 0.00 0.00 0.00 174.94 175.11 1uf5 s ILE 191 N 0.96 2.02 0.10 2.92 1.01 0.12 -0.87 121.20 127.46 1uf5 s ILE 191 Ca -0.11 -1.01 -0.00 0.00 0.00 0.00 0.00 60.65 59.53 1uf5 s ILE 191 Cb -0.14 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 1uf5 s ILE 191 CO -0.01 0.44 0.00 0.00 0.00 0.00 0.00 174.94 175.38 1uf5 n GLY 193 N -0.03 -1.31 3.55 0.00 0.00 -0.78 -1.76 105.19 104.87 1uf5 n GLY 193 Ca -0.10 -0.94 -0.27 0.00 0.00 0.00 0.00 46.02 44.72 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 2.74 0.00 -0.02 0.00 -1.26 -0.88 107.32 107.90 1uf5 s GLY 194 Ca 0.00 -1.05 -0.28 0.00 0.00 0.00 0.00 44.72 43.39 1uf5 s GLY 194 CO 0.00 -1.88 0.71 -2.52 0.00 0.00 0.00 173.10 169.42 1uf5 s TYR 195 N -3.15 -0.56 -0.37 1.90 -0.85 -0.28 0.07 117.35 114.11 1uf5 s TYR 195 Ca 0.20 0.75 0.02 0.00 -0.52 0.00 0.00 57.07 57.52 1uf5 s TYR 195 Cb 0.02 0.47 0.11 0.00 0.38 0.00 0.00 41.96 42.94 1uf5 s TYR 195 CO 0.13 -0.64 0.14 -0.80 -1.52 0.00 0.00 175.55 172.86 1uf5 s ASN 196 N -1.75 4.11 -0.32 -0.18 0.01 -1.26 -1.37 114.94 114.18 1uf5 s ASN 196 Ca -0.05 -2.16 0.03 0.00 -0.71 0.00 0.00 52.86 49.97 1uf5 s ASN 196 Cb -0.00 -1.15 0.09 0.00 0.41 0.00 0.00 41.25 40.59 1uf5 s ASN 196 CO 0.01 -0.35 0.02 -0.89 -1.51 0.00 0.00 177.10 174.37 1uf5 s THR 197 N 0.92 2.36 0.48 1.60 2.01 -1.26 -5.01 115.64 116.75 1uf5 s THR 197 Ca 0.13 -2.09 -0.24 0.00 0.31 0.00 0.00 61.69 59.79 1uf5 s THR 197 Cb -0.21 -2.63 -0.07 0.00 0.01 0.00 0.00 72.50 69.60 1uf5 s THR 197 CO -0.12 -0.43 1.41 -2.84 -0.69 0.00 0.00 174.62 171.95 1uf5 s PRO 198 N 0.99 3.53 0.00 4.92 0.02 -1.26 -0.34 135.00 142.86 1uf5 s PRO 198 Ca 0.05 2.37 0.25 0.00 0.02 0.00 0.00 61.00 63.68 1uf5 s PRO 198 Cb -0.20 -2.54 1.32 0.00 0.02 0.00 0.00 34.50 33.11 1uf5 s PRO 198 CO -0.07 -0.93 1.87 0.25 -0.33 0.00 0.00 177.00 177.80 1uf5 n THR 199 N -0.44 0.03 -4.85 0.99 -2.24 -0.54 -4.69 114.28 102.54 1uf5 n THR 199 Ca 0.07 -0.08 -0.27 0.00 -2.27 0.00 0.00 64.05 61.50 1uf5 n THR 199 Cb 0.43 -0.17 -0.16 0.00 -2.10 0.00 0.00 70.33 68.32 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 -1.97 1.79 -0.29 4.78 5.65 -1.26 -4.64 115.29 119.34 1uf5 s HIS 200 Ca 0.37 -0.56 0.02 0.00 0.25 0.00 0.00 55.06 55.13 1uf5 s HIS 200 Cb 0.18 -1.21 0.08 0.00 -1.18 0.00 0.00 32.58 30.45 1uf5 s HIS 200 CO 0.29 -0.21 0.02 1.21 -0.65 0.00 0.00 174.74 175.40 1uf5 s ASN 201 N 0.15 4.26 0.25 9.88 2.47 -1.26 -5.04 114.94 125.66 1uf5 s ASN 201 Ca -0.07 -1.66 -0.11 0.00 0.42 0.00 0.00 52.86 51.44 1uf5 s ASN 201 Cb -0.13 -1.28 0.37 0.00 -1.45 0.00 0.00 41.25 38.76 1uf5 s ASN 201 CO 0.03 -0.33 1.58 -0.65 -3.72 0.00 0.00 177.10 174.01 1uf5 h PRO 202 N 7.86 -0.01 0.00 0.43 0.11 -1.98 -1.42 132.00 136.99 1uf5 h PRO 202 Ca -0.12 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.93 1uf5 h PRO 202 Cb 1.04 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1uf5 h PRO 202 CO 0.47 -0.00 -0.27 -1.00 -0.21 0.00 0.00 178.00 176.98 1uf5 h PRO 203 N -0.01 0.00 -2.04 1.05 0.13 -2.00 -3.35 132.00 125.78 1uf5 h PRO 203 Ca 0.41 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 65.01 1uf5 h PRO 203 Cb 0.64 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.37 1uf5 h PRO 203 CO -0.91 0.27 -1.07 0.28 -0.23 0.00 0.00 178.00 176.34 1uf5 n VAL 204 N -3.43 0.10 0.30 1.56 0.31 -0.66 -4.94 118.33 111.58 1uf5 n VAL 204 Ca 0.00 -4.50 0.19 0.00 -0.01 0.00 0.00 64.34 60.02 1uf5 n VAL 204 Cb 0.46 -1.14 0.97 0.00 -0.91 0.00 0.00 33.84 33.23 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 3.46 0.00 0.00 5.55 0.13 -1.45 -2.37 132.00 137.33 1uf5 h PRO 205 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 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 0.54 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.31 1uf5 n GLN 206 N -2.86 0.32 -0.02 0.86 0.00 -1.26 -1.67 117.38 112.74 1uf5 n GLN 206 Ca -0.02 0.09 0.07 0.00 0.00 0.00 0.00 57.00 57.14 1uf5 n GLN 206 Cb 0.10 -1.50 0.07 0.00 0.00 0.00 0.00 30.24 28.91 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 -1.19 0.06 -0.24 2.61 8.25 -0.89 -4.70 115.22 119.12 1uf5 n HIS 207 Ca 0.09 -0.05 0.04 0.00 -0.26 0.00 0.00 57.72 57.53 1uf5 n HIS 207 Cb 0.10 -0.00 0.16 0.00 1.12 0.00 0.00 29.99 31.37 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 2.57 0.26 0.22 0.41 3.32 -1.48 -0.13 116.42 121.60 1uf5 h ASP 208 Ca 0.00 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1uf5 h ASP 208 Cb 0.57 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1uf5 h ASP 208 CO 0.00 0.11 0.00 0.00 -1.72 0.00 0.00 179.24 177.63 1uf5 n HIS 209 N -5.00 0.00 -0.01 4.55 1.44 -1.26 -2.30 115.22 112.64 1uf5 n HIS 209 Ca 0.13 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.92 1uf5 n HIS 209 Cb 0.37 -0.19 0.19 0.00 0.12 0.00 0.00 29.99 30.48 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 -1.19 3.15 -0.11 2.39 4.77 -0.06 -4.69 117.00 121.25 1uf5 n LEU 210 Ca 0.10 -1.73 -0.05 0.00 -0.03 0.00 0.00 56.01 54.30 1uf5 n LEU 210 Cb 0.12 -0.26 0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1uf5 n LEU 210 CO 0.13 0.74 0.84 0.74 -1.33 0.00 0.00 177.39 178.51 1uf5 h THR 211 N 3.15 0.71 -0.25 -5.08 2.02 -1.44 0.12 112.91 112.15 1uf5 h THR 211 Ca 0.00 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 1uf5 h THR 211 Cb 0.81 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 1uf5 h THR 211 CO 0.00 0.02 0.03 -1.28 0.37 0.00 0.00 175.52 174.65 1uf5 h SER 212 N 0.09 0.40 -0.34 4.18 0.87 -1.85 -2.40 113.55 114.50 1uf5 h SER 212 Ca 0.18 -0.28 0.07 0.00 -1.23 0.00 0.00 61.79 60.54 1uf5 h SER 212 Cb 0.26 -0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 62.04 1uf5 h SER 212 CO -0.31 0.58 -0.13 0.15 -0.53 0.00 0.00 176.83 176.59 1uf5 h PHE 213 N 0.21 -0.29 -0.34 2.24 3.57 -1.71 -0.25 116.94 120.37 1uf5 h PHE 213 Ca 0.07 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.52 1uf5 h PHE 213 Cb 0.36 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 1uf5 h PHE 213 CO 0.03 -0.20 -0.15 0.45 -2.23 0.00 0.00 178.31 176.21 1uf5 h HIS 214 N -0.06 0.66 0.13 0.41 3.86 -0.75 0.08 115.15 119.48 1uf5 h HIS 214 Ca 0.17 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1uf5 h HIS 214 Cb 0.32 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.62 1uf5 h HIS 214 CO -0.35 0.73 -0.06 1.25 0.86 0.00 0.00 177.93 180.35 1uf5 h HIS 215 N 0.55 -0.16 -0.39 2.45 -0.00 -0.92 -2.29 115.15 114.39 1uf5 h HIS 215 Ca 0.09 -0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.36 1uf5 h HIS 215 Cb 0.58 0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 28.03 1uf5 h HIS 215 CO 0.02 0.18 -0.16 -0.07 -0.00 0.00 0.00 177.93 177.91 1uf5 h LEU 216 N -0.53 0.73 -0.77 0.26 3.38 -1.01 -2.39 115.31 114.98 1uf5 h LEU 216 Ca -0.02 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1uf5 h LEU 216 Cb 0.42 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1uf5 h LEU 216 CO 0.03 0.89 0.50 0.25 0.09 0.00 0.00 178.44 180.20 1uf5 h LEU 217 N 0.65 0.89 -0.61 1.67 5.85 -0.99 0.33 115.31 123.11 1uf5 h LEU 217 Ca 0.10 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 1uf5 h LEU 217 Cb 0.63 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1uf5 h LEU 217 CO 0.04 0.66 0.14 0.28 -0.34 0.00 0.00 178.44 179.22 1uf5 h SER 218 N 1.04 0.93 -0.22 1.25 0.02 -1.13 -1.28 113.55 114.17 1uf5 h SER 218 Ca 0.28 -0.24 -0.08 0.00 -0.84 0.00 0.00 61.79 60.92 1uf5 h SER 218 Cb -0.10 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.19 1uf5 h SER 218 CO -0.06 0.93 -0.16 0.24 -1.14 0.00 0.00 176.83 176.64 1uf5 h MET 219 N 0.89 0.49 -0.28 3.45 2.86 -1.00 -2.03 114.93 119.30 1uf5 h MET 219 Ca 0.19 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1uf5 h MET 219 Cb 0.36 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1uf5 h MET 219 CO 0.00 0.80 0.10 1.96 1.06 0.00 0.00 176.91 180.83 1uf5 h GLN 220 N 0.18 0.43 -0.34 1.72 4.20 -0.89 -1.97 115.11 118.45 1uf5 h GLN 220 Ca 0.04 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 1uf5 h GLN 220 Cb 0.69 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1uf5 h GLN 220 CO 0.04 0.48 0.04 0.00 -0.67 0.00 0.00 178.83 178.72 1uf5 h ALA 221 N 0.94 0.45 -0.57 3.87 0.00 -1.29 -1.50 119.26 121.16 1uf5 h ALA 221 Ca 0.09 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1uf5 h ALA 221 Cb 0.22 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1uf5 h ALA 221 CO -0.00 0.16 0.35 0.78 0.00 0.00 0.00 179.25 180.54 1uf5 h GLY 222 N 0.39 0.81 0.85 0.00 0.00 -1.33 -0.80 103.07 103.00 1uf5 h GLY 222 Ca 0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 1uf5 h GLY 222 CO 0.01 0.24 -0.11 1.76 0.00 0.00 0.00 176.54 178.43 1uf5 h SER 223 N 0.71 -0.27 0.25 0.19 0.02 -1.26 -2.86 113.55 110.33 1uf5 h SER 223 Ca 0.23 -0.11 0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1uf5 h SER 223 Cb -0.00 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1uf5 h SER 223 CO -0.09 -0.06 -0.29 0.22 -1.14 0.00 0.00 176.83 175.48 1uf5 h TYR 224 N -0.47 -0.77 0.00 3.45 3.20 -1.10 0.26 116.97 121.53 1uf5 h TYR 224 Ca -0.03 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1uf5 h TYR 224 Cb 0.36 0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.93 1uf5 h TYR 224 CO -0.02 -0.41 0.00 1.04 -1.64 0.00 0.00 178.16 177.13 1uf5 n GLN 225 N -5.40 0.06 -0.00 1.82 6.02 -0.32 -2.07 117.38 117.48 1uf5 n GLN 225 Ca -0.08 0.37 0.00 0.00 -0.01 0.00 0.00 57.00 57.28 1uf5 n GLN 225 Cb 0.31 -1.63 0.00 0.00 1.02 0.00 0.00 30.24 29.95 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 -1.74 1.23 -3.81 1.08 3.02 -1.08 -5.01 115.26 108.95 1uf5 n ASN 226 Ca 0.02 -1.19 -0.26 0.00 -0.03 0.00 0.00 54.58 53.12 1uf5 n ASN 226 Cb 0.14 -0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.34 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 -0.03 -0.42 3.30 7.41 0.00 0.77 -4.89 105.19 111.33 1uf5 n GLY 227 Ca 0.01 0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.44 1.98 0.51 4.61 0.00 -0.43 -4.49 121.76 120.50 1uf5 s ALA 228 Ca 0.41 -1.18 -0.19 0.00 0.00 0.00 0.00 51.96 50.99 1uf5 s ALA 228 Cb -0.20 -0.38 -0.08 0.00 0.00 0.00 0.00 23.12 22.46 1uf5 s ALA 228 CO 0.82 0.45 1.04 -1.58 0.00 0.00 0.00 175.76 176.48 1uf5 s TRP 229 N -0.86 3.03 0.13 0.00 0.52 -0.04 -3.57 118.94 118.15 1uf5 s TRP 229 Ca 0.09 1.56 -0.06 0.00 0.02 0.00 0.00 56.10 57.71 1uf5 s TRP 229 Cb -0.09 -3.03 -0.02 0.00 -1.15 0.00 0.00 33.47 29.18 1uf5 s TRP 229 CO 0.02 -0.83 0.17 -1.54 0.02 0.00 0.00 176.95 174.79 1uf5 s SER 230 N -2.20 0.18 -0.17 2.95 1.04 -0.08 -0.70 113.70 114.72 1uf5 s SER 230 Ca 0.66 -0.93 -0.14 0.00 0.48 0.00 0.00 55.95 56.03 1uf5 s SER 230 Cb -0.16 0.35 0.05 0.00 0.10 0.00 0.00 66.02 66.36 1uf5 s SER 230 CO 0.23 -0.78 0.44 0.00 0.98 0.00 0.00 173.24 174.11 1uf5 s ALA 231 N -3.96 -1.11 -0.10 5.32 0.00 -0.91 -0.29 121.76 120.71 1uf5 s ALA 231 Ca 0.15 1.36 -0.00 0.00 0.00 0.00 0.00 51.96 53.47 1uf5 s ALA 231 Cb 0.05 -0.80 0.02 0.00 0.00 0.00 0.00 23.12 22.40 1uf5 s ALA 231 CO -0.03 -0.23 -0.08 0.00 0.00 0.00 0.00 175.76 175.42 1uf5 s ALA 232 N 0.58 1.27 -0.31 0.00 0.00 -0.04 -1.87 121.76 121.39 1uf5 s ALA 232 Ca -0.03 -0.50 -0.07 0.00 0.00 0.00 0.00 51.96 51.36 1uf5 s ALA 232 Cb -0.05 -0.84 0.01 0.00 0.00 0.00 0.00 23.12 22.25 1uf5 s ALA 232 CO -0.04 -0.33 0.10 0.00 0.00 0.00 0.00 175.76 175.49 1uf5 s ALA 233 N 1.55 3.09 0.25 0.00 0.00 -0.05 -1.47 121.76 125.13 1uf5 s ALA 233 Ca 0.02 -1.51 0.03 0.00 0.00 0.00 0.00 51.96 50.49 1uf5 s ALA 233 Cb -0.13 -2.22 -0.03 0.00 0.00 0.00 0.00 23.12 20.74 1uf5 s ALA 233 CO -0.06 -1.02 0.41 0.20 0.00 0.00 0.00 175.76 175.29 1uf5 s GLY 234 N 1.50 1.40 -0.34 0.00 0.00 -1.26 -1.12 107.32 107.50 1uf5 s GLY 234 Ca 0.02 -1.06 -0.08 0.00 0.00 0.00 0.00 44.72 43.60 1uf5 s GLY 234 CO 0.03 -1.04 0.13 1.25 0.00 0.00 0.00 173.10 173.47 1uf5 s LYS 235 N -3.88 2.86 0.50 2.90 2.20 -0.47 -1.68 119.74 122.18 1uf5 s LYS 235 Ca 0.36 -1.03 0.05 0.00 -0.36 0.00 0.00 55.97 54.99 1uf5 s LYS 235 Cb -0.10 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 1uf5 s LYS 235 CO 0.31 -0.60 0.23 0.00 -0.36 0.00 0.00 175.35 174.93 1uf5 s ALA 236 N 1.49 4.12 0.00 3.13 0.00 0.62 -4.56 121.76 126.57 1uf5 s ALA 236 Ca 0.01 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.74 1uf5 s ALA 236 Cb -0.19 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.51 1uf5 s ALA 236 CO 0.04 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1uf5 n GLY 237 N -1.49 -3.98 3.53 0.00 0.00 -0.84 -1.83 105.19 100.58 1uf5 n GLY 237 Ca -0.06 -2.04 -0.42 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 -0.94 3.35 -0.30 1.61 -2.45 -1.26 -0.66 119.30 118.65 1uf5 s MET 238 Ca 0.00 -0.79 -0.08 0.00 -1.25 0.00 0.00 55.69 53.56 1uf5 s MET 238 Cb 0.00 -4.66 0.00 0.00 1.25 0.00 0.00 34.83 31.42 1uf5 s MET 238 CO 0.00 -2.08 0.12 -2.00 1.05 0.00 0.00 175.02 172.12 1uf5 s GLU 239 N 4.89 3.22 -1.42 4.11 2.12 -0.32 -4.59 118.70 126.70 1uf5 s GLU 239 Ca 0.36 -0.78 -0.03 0.00 0.36 0.00 0.00 54.97 54.88 1uf5 s GLU 239 Cb -0.06 -3.48 0.02 0.00 0.26 0.00 0.00 34.13 30.87 1uf5 s GLU 239 CO 0.03 -0.43 0.57 0.39 -0.54 0.00 0.00 175.26 175.28 1uf5 n GLU 240 N 4.93 -3.88 -0.95 4.30 -0.58 -1.26 -1.39 120.64 121.81 1uf5 n GLU 240 Ca -0.14 0.47 0.00 0.00 -0.42 0.00 0.00 57.16 57.07 1uf5 n GLU 240 Cb 0.49 -4.83 0.00 0.00 -0.57 0.00 0.00 31.44 26.53 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 -2.96 -2.74 -4.17 1.62 3.02 -1.26 -5.01 115.26 103.76 1uf5 n ASN 241 Ca -0.24 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 53.98 1uf5 n ASN 241 Cb 0.65 -1.25 -0.16 0.00 -0.61 0.00 0.00 39.78 38.41 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 1.13 4.36 -0.01 0.00 1.75 -1.26 -1.18 119.30 124.09 1uf5 s MET 243 Ca 0.01 1.49 0.01 0.00 -1.25 0.00 0.00 55.69 55.94 1uf5 s MET 243 Cb -0.14 -3.58 -0.04 0.00 2.84 0.00 0.00 34.83 33.92 1uf5 s MET 243 CO -0.08 -0.43 0.02 -0.51 -0.65 0.00 0.00 175.02 173.37 1uf5 s LEU 244 N 2.36 3.61 0.32 4.11 1.43 0.17 -1.47 118.68 129.20 1uf5 s LEU 244 Ca 0.50 0.05 -0.29 0.00 -1.03 0.00 0.00 54.13 53.36 1uf5 s LEU 244 Cb -0.20 -2.05 -0.10 0.00 0.03 0.00 0.00 46.19 43.87 1uf5 s LEU 244 CO 0.17 0.29 1.31 -0.22 0.23 0.00 0.00 176.35 178.14 1uf5 s LEU 245 N -1.51 4.43 0.00 1.79 2.96 0.54 -1.99 118.68 124.89 1uf5 s LEU 245 Ca 0.19 2.66 0.00 0.00 -0.22 0.00 0.00 54.13 56.77 1uf5 s LEU 245 Cb -0.12 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 42.93 1uf5 s LEU 245 CO 0.10 -0.54 0.00 0.61 -1.32 0.00 0.00 176.35 175.20 1uf5 n GLY 246 N 1.02 0.46 3.85 7.98 0.00 -1.26 -4.15 105.19 113.10 1uf5 n GLY 246 Ca 0.01 0.00 -0.26 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 -2.05 -2.07 1.61 -0.00 -1.26 -4.82 115.22 106.63 1uf5 n HIS 247 Ca 0.00 0.86 -0.36 0.00 -0.00 0.00 0.00 57.72 58.22 1uf5 n HIS 247 Cb 0.00 -4.07 0.03 0.00 -0.00 0.00 0.00 29.99 25.94 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 -3.85 5.33 0.16 0.41 0.01 -1.26 -4.76 113.70 109.73 1uf5 s SER 248 Ca 0.33 2.35 -0.13 0.00 1.31 0.00 0.00 55.95 59.81 1uf5 s SER 248 Cb -0.17 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.48 1uf5 s SER 248 CO 0.83 -1.50 0.37 0.00 0.41 0.00 0.00 173.24 173.36 1uf5 s ILE 250 N -3.90 1.36 -0.01 0.00 1.01 -0.71 -0.86 121.20 118.09 1uf5 s ILE 250 Ca 0.11 -0.64 0.05 0.00 0.00 0.00 0.00 60.65 60.18 1uf5 s ILE 250 Cb 0.02 -1.20 -0.01 0.00 0.01 0.00 0.00 42.46 41.27 1uf5 s ILE 250 CO -0.04 0.40 -0.17 -0.69 0.00 0.00 0.00 174.94 174.44 1uf5 s VAL 251 N 0.38 1.36 0.70 2.92 1.01 0.60 -1.18 120.40 126.20 1uf5 s VAL 251 Ca -0.11 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 1uf5 s VAL 251 Cb -0.14 -1.14 0.01 0.00 0.00 0.00 0.00 36.38 35.11 1uf5 s VAL 251 CO 0.04 0.36 1.09 0.00 0.00 0.00 0.00 175.10 176.58 1uf5 s ALA 252 N -0.44 2.92 -1.25 5.51 0.00 0.38 -0.90 121.76 127.98 1uf5 s ALA 252 Ca 0.06 -0.37 0.06 0.00 0.00 0.00 0.00 51.96 51.72 1uf5 s ALA 252 Cb -0.07 -3.00 0.29 0.00 0.00 0.00 0.00 23.12 20.34 1uf5 s ALA 252 CO -0.00 -1.12 1.11 -0.35 0.00 0.00 0.00 175.76 175.39 1uf5 n PRO 253 N -2.99 0.05 0.00 0.00 -0.04 -1.23 -0.67 135.00 130.12 1uf5 n PRO 253 Ca 0.07 0.30 0.12 0.00 -0.04 0.00 0.00 63.50 63.95 1uf5 n PRO 253 Cb 0.57 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.81 1uf5 n PRO 253 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1uf5 n THR 254 N -1.38 0.00 -0.33 0.52 -2.24 -1.26 -3.61 114.28 105.98 1uf5 n THR 254 Ca 0.02 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1uf5 n THR 254 Cb 0.06 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 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 1.38 0.76 3.71 3.38 0.00 0.16 -4.60 105.19 109.99 1uf5 n GLY 255 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.61 4.46 -0.30 1.61 2.02 -1.25 -4.62 118.70 120.01 1uf5 s GLU 256 Ca 0.00 1.72 -0.29 0.00 0.02 0.00 0.00 54.97 56.42 1uf5 s GLU 256 Cb 0.00 -3.36 0.01 0.00 0.10 0.00 0.00 34.13 30.89 1uf5 s GLU 256 CO 0.00 -0.21 1.12 0.42 0.02 0.00 0.00 175.26 176.61 1uf5 s ILE 257 N 0.97 4.46 -0.60 -1.63 1.01 -1.26 -0.47 121.20 123.67 1uf5 s ILE 257 Ca 0.57 1.69 0.22 0.00 0.00 0.00 0.00 60.65 63.14 1uf5 s ILE 257 Cb -0.28 -4.34 -0.22 0.00 0.01 0.00 0.00 42.46 37.62 1uf5 s ILE 257 CO 0.29 -0.42 0.83 1.33 0.00 0.00 0.00 174.94 176.97 1uf5 n VAL 258 N 5.83 0.05 -3.69 2.92 0.24 -0.32 -4.95 118.33 118.41 1uf5 n VAL 258 Ca 0.13 -0.22 -0.14 0.00 -2.04 0.00 0.00 64.34 62.07 1uf5 n VAL 258 Cb 0.47 0.46 -0.09 0.00 -1.47 0.00 0.00 33.84 33.21 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 -3.21 -1.34 -0.10 2.33 0.00 -1.13 -4.97 121.76 113.34 1uf5 s ALA 259 Ca 0.02 1.51 -0.08 0.00 0.00 0.00 0.00 51.96 53.41 1uf5 s ALA 259 Cb 0.15 -0.86 0.03 0.00 0.00 0.00 0.00 23.12 22.44 1uf5 s ALA 259 CO 0.86 -0.26 0.26 -1.17 0.00 0.00 0.00 175.76 175.45 1uf5 s LEU 260 N 0.24 0.92 0.43 0.00 2.96 -1.26 -1.73 118.68 120.25 1uf5 s LEU 260 Ca -0.00 0.52 -0.16 0.00 -0.22 0.00 0.00 54.13 54.26 1uf5 s LEU 260 Cb -0.04 0.86 -0.09 0.00 0.50 0.00 0.00 46.19 47.43 1uf5 s LEU 260 CO 0.01 -0.10 0.89 0.42 -1.32 0.00 0.00 176.35 176.25 1uf5 s THR 261 N 0.32 4.57 0.00 3.68 -4.23 -0.53 -4.97 115.64 114.48 1uf5 s THR 261 Ca -0.02 1.13 0.00 0.00 -1.18 0.00 0.00 61.69 61.63 1uf5 s THR 261 Cb -0.03 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.14 1uf5 s THR 261 CO -0.01 -0.46 0.26 0.35 -0.54 0.00 0.00 174.62 174.22 1uf5 n THR 262 N -1.04 0.00 -3.71 3.99 -2.24 -1.26 -4.20 114.28 105.83 1uf5 n THR 262 Ca 0.05 -0.44 -0.25 0.00 -2.27 0.00 0.00 64.05 61.14 1uf5 n THR 262 Cb 0.54 1.07 0.01 0.00 -2.10 0.00 0.00 70.33 69.85 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 -0.36 1.67 -0.18 4.28 -4.23 -1.26 -5.02 115.64 110.53 1uf5 s THR 263 Ca 0.00 -1.38 0.13 0.00 -1.18 0.00 0.00 61.69 59.26 1uf5 s THR 263 Cb 0.00 -2.05 0.39 0.00 1.34 0.00 0.00 72.50 72.18 1uf5 s THR 263 CO 0.00 0.00 1.20 0.18 -0.54 0.00 0.00 174.62 175.46 1uf5 n LEU 264 N -1.91 2.55 0.00 4.79 4.77 -1.26 -4.64 117.00 121.30 1uf5 n LEU 264 Ca 0.02 -3.65 -0.23 0.00 -0.03 0.00 0.00 56.01 52.12 1uf5 n LEU 264 Cb 0.64 -0.49 -0.05 0.00 -2.33 0.00 0.00 43.42 41.19 1uf5 n LEU 264 CO 0.39 1.23 -0.17 -0.62 -1.33 0.00 0.00 177.39 176.88 1uf5 n GLU 265 N -1.11 0.97 -1.70 3.23 1.02 -1.26 -3.75 120.64 118.04 1uf5 n GLU 265 Ca 0.18 -2.76 -0.43 0.00 -0.02 0.00 0.00 57.16 54.13 1uf5 n GLU 265 Cb 0.70 0.91 -0.03 0.00 -0.02 0.00 0.00 31.44 32.99 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 -1.33 3.82 -3.69 1.62 8.00 -1.26 -3.95 116.55 119.75 1uf5 n ASP 266 Ca -0.13 1.03 -0.11 0.00 0.71 0.00 0.00 54.79 56.30 1uf5 n ASP 266 Cb 0.48 -1.53 -0.10 0.00 -0.02 0.00 0.00 41.12 39.95 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 1.83 0.45 -0.17 -1.24 2.12 -0.35 -4.91 118.70 116.44 1uf5 s GLU 267 Ca 0.79 0.81 -0.06 0.00 0.36 0.00 0.00 54.97 56.87 1uf5 s GLU 267 Cb -0.54 0.05 -0.04 0.00 0.26 0.00 0.00 34.13 33.86 1uf5 s GLU 267 CO 0.36 -0.14 0.02 0.08 -0.54 0.00 0.00 175.26 175.04 1uf5 s VAL 268 N 1.20 4.41 0.10 3.70 1.01 -1.26 -0.96 120.40 128.61 1uf5 s VAL 268 Ca -0.08 -0.17 0.08 0.00 0.00 0.00 0.00 61.98 61.81 1uf5 s VAL 268 Cb -0.07 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 1uf5 s VAL 268 CO -0.11 0.48 -0.20 0.27 0.00 0.00 0.00 175.10 175.55 1uf5 s ILE 269 N 0.31 1.63 0.13 2.22 -4.36 -0.80 -4.98 121.20 115.34 1uf5 s ILE 269 Ca 0.00 -1.54 0.00 0.00 -0.26 0.00 0.00 60.65 58.86 1uf5 s ILE 269 Cb -0.13 -1.51 -0.04 0.00 1.25 0.00 0.00 42.46 42.03 1uf5 s ILE 269 CO 0.01 -0.11 0.01 0.42 0.24 0.00 0.00 174.94 175.51 1uf5 s THR 270 N -1.27 0.43 -0.25 8.37 -4.23 -1.26 -1.00 115.64 116.42 1uf5 s THR 270 Ca 0.06 -1.93 -0.25 0.00 -1.18 0.00 0.00 61.69 58.39 1uf5 s THR 270 Cb -0.10 -1.95 0.07 0.00 1.34 0.00 0.00 72.50 71.87 1uf5 s THR 270 CO 0.04 -0.60 0.71 0.00 -0.54 0.00 0.00 174.62 174.23 1uf5 s ALA 271 N -3.82 -1.76 0.09 3.99 0.00 -0.17 -4.84 121.76 115.25 1uf5 s ALA 271 Ca 0.20 1.95 -0.31 0.00 0.00 0.00 0.00 51.96 53.81 1uf5 s ALA 271 Cb 0.07 -1.08 -0.06 0.00 0.00 0.00 0.00 23.12 22.04 1uf5 s ALA 271 CO 0.00 -0.34 1.22 0.00 0.00 0.00 0.00 175.76 176.64 1uf5 s ALA 272 N 0.26 3.42 -0.14 0.00 0.00 -1.26 -1.16 121.76 122.88 1uf5 s ALA 272 Ca -0.01 0.90 0.02 0.00 0.00 0.00 0.00 51.96 52.87 1uf5 s ALA 272 Cb -0.05 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.63 1uf5 s ALA 272 CO 0.02 -0.44 -0.20 0.08 0.00 0.00 0.00 175.76 175.21 1uf5 s VAL 273 N 0.89 2.23 -0.35 0.00 1.01 0.91 -4.92 120.40 120.17 1uf5 s VAL 273 Ca 0.58 -0.92 -0.06 0.00 0.00 0.00 0.00 61.98 61.59 1uf5 s VAL 273 Cb -0.31 -1.91 0.05 0.00 0.00 0.00 0.00 36.38 34.22 1uf5 s VAL 273 CO 0.30 0.54 0.11 -0.62 0.00 0.00 0.00 175.10 175.43 1uf5 s ASP 274 N 0.82 5.27 0.63 3.32 -1.08 -1.26 -1.42 116.67 122.95 1uf5 s ASP 274 Ca -0.07 -1.28 0.36 0.00 -0.52 0.00 0.00 52.55 51.05 1uf5 s ASP 274 Cb -0.15 -1.85 2.10 0.00 -1.46 0.00 0.00 42.92 41.55 1uf5 s ASP 274 CO -0.01 -0.36 2.31 -0.07 0.52 0.00 0.00 175.17 177.56 1uf5 h LEU 275 N 8.19 0.00 0.00 -1.34 3.38 -0.89 -1.11 115.31 123.54 1uf5 h LEU 275 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1uf5 h LEU 275 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1uf5 h LEU 275 CO 0.61 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.61 1uf5 n ASP 276 N -3.50 0.00 0.24 -0.43 8.00 -1.26 -3.27 116.55 116.32 1uf5 n ASP 276 Ca -0.03 0.38 0.08 0.00 0.71 0.00 0.00 54.79 55.93 1uf5 n ASP 276 Cb 0.08 -0.46 0.59 0.00 -0.02 0.00 0.00 41.12 41.31 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 -0.46 -1.24 9.65 -1.58 -2.08 114.38 118.66 1uf5 h ARG 277 Ca 0.00 0.00 0.12 0.00 -1.10 0.00 0.00 59.98 59.00 1uf5 h ARG 277 Cb 0.43 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.99 1uf5 h ARG 277 CO 0.00 0.16 0.33 0.00 2.80 0.00 0.00 179.97 183.26 1uf5 h ARG 279 N 0.06 0.00 -0.18 0.00 3.08 -1.62 -1.10 114.38 114.62 1uf5 h ARG 279 Ca 0.22 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.32 1uf5 h ARG 279 Cb 0.80 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 1uf5 h ARG 279 CO -0.02 0.06 0.16 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 -1.46 -1.77 114.58 116.48 1uf5 h GLU 280 Ca -0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.03 1uf5 h GLU 280 Cb 0.11 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 1uf5 h GLU 280 CO 0.01 0.00 -2.12 1.28 -1.00 0.00 0.00 179.01 177.18 1uf5 n LEU 281 N -4.06 1.84 0.00 1.33 7.99 -0.87 -4.40 117.00 118.82 1uf5 n LEU 281 Ca 0.01 0.16 0.09 0.00 -0.01 0.00 0.00 56.01 56.26 1uf5 n LEU 281 Cb 0.29 -0.61 0.41 0.00 -0.11 0.00 0.00 43.42 43.40 1uf5 n LEU 281 CO 0.30 0.53 0.77 0.54 -1.51 0.00 0.00 177.39 178.03 1uf5 n ARG 282 N -3.68 0.12 0.00 3.23 5.12 -0.47 -0.29 116.66 120.68 1uf5 n ARG 282 Ca -0.38 0.16 0.03 0.00 -1.93 0.00 0.00 57.85 55.73 1uf5 n ARG 282 Cb 0.80 -1.50 0.03 0.00 -1.16 0.00 0.00 32.46 30.63 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 -1.40 0.05 0.00 5.56 1.02 -0.67 -3.93 120.64 121.27 1uf5 n GLU 283 Ca 0.06 -0.86 0.00 0.00 -0.02 0.00 0.00 57.16 56.34 1uf5 n GLU 283 Cb 0.18 -1.11 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 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 0.32 0.00 0.06 -0.32 8.25 -0.97 -4.75 115.22 117.81 1uf5 n HIS 284 Ca 0.04 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.57 1uf5 n HIS 284 Cb 0.16 0.00 0.51 0.00 1.12 0.00 0.00 29.99 31.78 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 1.02 -1.25 1.59 2.10 -1.77 -2.49 117.51 116.71 1uf5 h ILE 285 Ca 0.00 -0.12 -0.61 0.00 1.08 0.00 0.00 64.86 65.22 1uf5 h ILE 285 Cb 0.00 0.65 -0.39 0.00 -1.09 0.00 0.00 36.82 35.99 1uf5 h ILE 285 CO 0.00 0.06 -0.37 0.49 -1.08 0.00 0.00 178.15 177.25 1uf5 n PHE 286 N -4.49 3.11 -2.47 2.19 0.99 0.60 -4.93 117.46 112.46 1uf5 n PHE 286 Ca 0.03 -2.69 -0.39 0.00 -0.00 0.00 0.00 57.45 54.39 1uf5 n PHE 286 Cb 0.15 -0.46 -0.03 0.00 -1.00 0.00 0.00 39.48 38.13 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 -3.07 6.16 0.13 4.37 3.84 -0.94 -4.26 114.94 121.16 1uf5 s ASN 287 Ca 0.51 -0.88 -0.31 0.00 0.21 0.00 0.00 52.86 52.39 1uf5 s ASN 287 Cb 0.42 -2.56 -0.08 0.00 -0.55 0.00 0.00 41.25 38.48 1uf5 s ASN 287 CO -0.12 -1.81 1.56 -0.26 -2.79 0.00 0.00 177.10 173.68 1uf5 h PHE 288 N 10.40 -1.54 -0.96 0.43 0.05 -1.91 -1.30 116.94 122.10 1uf5 h PHE 288 Ca -0.02 0.07 0.17 0.00 3.82 0.00 0.00 57.97 62.02 1uf5 h PHE 288 Cb 1.04 0.72 -0.09 0.00 2.00 0.00 0.00 35.95 39.62 1uf5 h PHE 288 CO 1.20 -0.49 0.61 0.87 -0.18 0.00 0.00 178.31 180.32 1uf5 h LYS 289 N -0.43 0.69 0.00 1.51 6.56 -1.93 -0.21 116.57 122.76 1uf5 h LYS 289 Ca 0.08 -0.04 -0.12 0.00 -1.06 0.00 0.00 60.65 59.51 1uf5 h LYS 289 Cb 0.62 -0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 32.10 1uf5 h LYS 289 CO -0.54 0.46 -0.83 0.37 -2.06 0.00 0.00 179.45 176.85 1uf5 h GLN 290 N 0.71 0.00 0.00 3.15 4.15 -1.82 -3.41 115.11 117.89 1uf5 h GLN 290 Ca 0.52 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.80 1uf5 h GLN 290 Cb 0.87 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.53 1uf5 h GLN 290 CO -0.28 0.42 -1.51 0.72 -1.93 0.00 0.00 178.83 176.25 1uf5 n HIS 291 N -3.10 0.00 -1.96 3.99 8.25 -0.55 -5.05 115.22 116.80 1uf5 n HIS 291 Ca -0.02 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.08 1uf5 n HIS 291 Cb 0.77 -0.36 0.04 0.00 1.12 0.00 0.00 29.99 31.55 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 -2.18 2.95 -0.51 -0.41 0.52 -0.13 -4.99 118.95 114.21 1uf5 s ARG 292 Ca -0.07 1.89 0.07 0.00 -0.52 0.00 0.00 55.73 57.11 1uf5 s ARG 292 Cb 0.03 -1.96 0.28 0.00 0.52 0.00 0.00 34.95 33.82 1uf5 s ARG 292 CO 0.27 -1.24 0.69 1.04 0.02 0.00 0.00 175.30 176.08 1uf5 n GLN 293 N -1.56 1.78 0.12 3.54 1.13 -1.26 -4.96 117.38 116.18 1uf5 n GLN 293 Ca 0.14 -4.01 0.19 0.00 -1.94 0.00 0.00 57.00 51.38 1uf5 n GLN 293 Cb 0.49 -1.81 0.71 0.00 0.11 0.00 0.00 30.24 29.74 1uf5 n GLN 293 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1uf5 h PRO 294 N 3.78 0.00 0.00 -1.09 0.13 -1.98 -0.84 132.00 132.00 1uf5 h PRO 294 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1uf5 h PRO 294 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1uf5 h PRO 294 CO 0.66 0.00 0.00 -0.56 -0.23 0.00 0.00 178.00 177.87 1uf5 h GLN 295 N 0.00 0.00 -0.37 0.86 -0.00 -2.04 -0.87 115.11 112.69 1uf5 h GLN 295 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.82 1uf5 h GLN 295 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.67 1uf5 h GLN 295 CO -0.00 0.00 0.00 0.72 -0.00 0.00 0.00 178.83 179.55 1uf5 n HIS 296 N -2.53 0.49 0.01 0.06 8.25 -0.32 -4.43 115.22 116.74 1uf5 n HIS 296 Ca -0.01 -0.41 0.08 0.00 -0.26 0.00 0.00 57.72 57.11 1uf5 n HIS 296 Cb 0.09 -0.02 0.18 0.00 1.12 0.00 0.00 29.99 31.36 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 0.79 0.48 -0.32 4.41 4.01 -0.33 -4.73 117.16 121.47 1uf5 n TYR 297 Ca 0.14 -0.36 0.17 0.00 -0.16 0.00 0.00 57.90 57.69 1uf5 n TYR 297 Cb 0.45 -0.01 0.36 0.00 -0.31 0.00 0.00 39.34 39.83 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 3.02 1.71 0.84 2.72 0.00 -1.77 -1.49 103.07 108.10 1uf5 h GLY 298 Ca 0.00 -0.18 0.15 0.00 0.00 0.00 0.00 47.33 47.29 1uf5 h GLY 298 CO 0.00 -0.35 0.44 -2.00 0.00 0.00 0.00 176.54 174.63 1uf5 h LEU 299 N 0.37 0.20 -1.88 3.11 5.85 -1.96 -0.99 115.31 120.02 1uf5 h LEU 299 Ca 0.62 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.34 1uf5 h LEU 299 Cb 1.28 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 1uf5 h LEU 299 CO -0.57 0.11 -0.08 0.40 -0.34 0.00 0.00 178.44 177.96 1uf5 h ILE 300 N 0.22 1.02 -0.05 4.05 2.04 -1.65 -2.56 117.51 120.57 1uf5 h ILE 300 Ca 0.31 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1uf5 h ILE 300 Cb 0.90 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 1uf5 h ILE 300 CO -0.06 0.07 0.00 0.00 0.00 0.00 0.00 178.15 178.16 1uf5 n ALA 301 N -2.51 2.47 -2.05 1.87 0.00 -0.39 -4.96 120.51 114.95 1uf5 n ALA 301 Ca -0.03 -0.69 -0.41 0.00 0.00 0.00 0.00 53.44 52.31 1uf5 n ALA 301 Cb 0.15 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.97 4.40 0.00 0.00 2.02 -0.97 -5.15 118.70 117.04 1uf5 s GLU 302 Ca 0.30 2.01 0.29 0.00 0.02 0.00 0.00 54.97 57.59 1uf5 s GLU 302 Cb 0.20 -3.22 1.76 0.00 0.10 0.00 0.00 34.13 32.98 1uf5 s GLU 302 CO 0.30 -0.24 2.09 1.28 0.02 0.00 0.00 175.26 178.72