#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uf3 n ARG 3 N 0.00 0.76 -1.65 5.56 1.74 -1.26 -5.10 116.66 116.71 1uf3 n ARG 3 Ca 0.00 -3.42 -0.42 0.00 -0.77 0.00 0.00 57.85 53.24 1uf3 n ARG 3 Cb 0.00 1.20 0.00 0.00 -1.02 0.00 0.00 32.46 32.65 1uf3 n ARG 3 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1uf3 n THR 4 N -1.09 2.24 -2.66 0.55 -1.04 -1.26 -4.75 114.28 106.27 1uf3 n THR 4 Ca -0.15 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.05 60.93 1uf3 n THR 4 Cb 0.60 -1.32 -0.02 0.00 -1.82 0.00 0.00 70.33 67.76 1uf3 n THR 4 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1uf3 s VAL 5 N -1.16 4.52 -0.05 12.58 1.01 -0.38 -4.82 120.40 132.09 1uf3 s VAL 5 Ca 0.59 1.66 -0.03 0.00 0.00 0.00 0.00 61.98 64.20 1uf3 s VAL 5 Cb -0.58 -4.41 -0.02 0.00 0.00 0.00 0.00 36.38 31.37 1uf3 s VAL 5 CO 0.59 -0.49 -0.07 -1.14 0.00 0.00 0.00 175.10 173.99 1uf3 n ARG 6 N 6.87 0.12 -3.60 2.72 0.63 -1.26 -4.92 116.66 117.21 1uf3 n ARG 6 Ca 0.11 0.05 -0.36 0.00 -0.92 0.00 0.00 57.85 56.73 1uf3 n ARG 6 Cb 0.47 -0.69 -0.07 0.00 0.45 0.00 0.00 32.46 32.62 1uf3 n ARG 6 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1uf3 s TYR 7 N -2.10 3.45 -0.15 -0.14 1.51 -1.26 -1.02 117.35 117.63 1uf3 s TYR 7 Ca -0.08 0.52 0.00 0.00 -1.01 0.00 0.00 57.07 56.50 1uf3 s TYR 7 Cb 0.03 -2.27 0.03 0.00 -0.11 0.00 0.00 41.96 39.64 1uf3 s TYR 7 CO 0.10 0.27 -0.09 0.42 -1.11 0.00 0.00 175.55 175.13 1uf3 s ILE 8 N 0.37 1.32 -0.07 2.71 1.01 -0.69 0.32 121.20 126.18 1uf3 s ILE 8 Ca 0.14 -0.61 -0.26 0.00 0.00 0.00 0.00 60.65 59.91 1uf3 s ILE 8 Cb -0.12 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 1uf3 s ILE 8 CO 0.02 0.30 0.84 -0.22 0.00 0.00 0.00 174.94 175.88 1uf3 s LEU 9 N 1.57 4.30 0.11 2.97 2.96 -0.29 -1.12 118.68 129.17 1uf3 s LEU 9 Ca 0.03 1.36 -0.08 0.00 -0.22 0.00 0.00 54.13 55.22 1uf3 s LEU 9 Cb -0.14 -3.30 -0.01 0.00 0.50 0.00 0.00 46.19 43.24 1uf3 s LEU 9 CO -0.09 -0.24 0.21 0.00 -1.32 0.00 0.00 176.35 174.90 1uf3 s ALA 10 N 1.24 -0.07 0.17 5.97 0.00 0.32 -1.65 121.76 127.73 1uf3 s ALA 10 Ca 0.43 -0.77 -0.23 0.00 0.00 0.00 0.00 51.96 51.40 1uf3 s ALA 10 Cb -0.19 0.62 0.08 0.00 0.00 0.00 0.00 23.12 23.63 1uf3 s ALA 10 CO 0.20 -0.55 1.06 -0.08 0.00 0.00 0.00 175.76 176.39 1uf3 s THR 11 N -3.91 0.00 0.20 0.00 -1.32 -1.09 -1.05 115.64 108.48 1uf3 s THR 11 Ca 0.10 -0.56 -0.10 0.00 -1.21 0.00 0.00 61.69 59.93 1uf3 s THR 11 Cb 0.05 -2.89 -0.01 0.00 -1.51 0.00 0.00 72.50 68.14 1uf3 s THR 11 CO -0.07 0.00 0.34 -0.94 -2.21 0.00 0.00 174.62 171.74 1uf3 s SER 12 N -3.43 -0.00 -1.36 8.08 1.04 0.17 -2.19 113.70 116.01 1uf3 s SER 12 Ca 0.22 -0.94 -0.21 0.00 0.48 0.00 0.00 55.95 55.50 1uf3 s SER 12 Cb -0.02 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.61 1uf3 s SER 12 CO 0.05 -0.98 0.39 -3.20 0.98 0.00 0.00 173.24 170.48 1uf3 n ASN 13 N -0.28 -1.96 0.00 7.02 5.15 -0.20 -0.36 115.26 124.62 1uf3 n ASN 13 Ca -0.04 -1.30 0.00 0.00 -0.60 0.00 0.00 54.58 52.64 1uf3 n ASN 13 Cb 0.63 -1.59 0.00 0.00 -0.53 0.00 0.00 39.78 38.29 1uf3 n ASN 13 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1uf3 n PRO 14 N -4.89 0.00 0.00 1.20 -0.02 -0.97 -3.30 135.00 127.01 1uf3 n PRO 14 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 1uf3 n PRO 14 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.10 1uf3 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uf3 n GLY 16 N 0.49 0.00 3.57 -1.23 0.00 0.19 -4.39 105.19 103.81 1uf3 n GLY 16 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1uf3 n GLY 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uf3 s ASP 17 N 0.00 5.40 0.54 1.61 -1.08 -1.26 -4.76 116.67 117.12 1uf3 s ASP 17 Ca 0.00 -1.28 0.31 0.00 -0.52 0.00 0.00 52.55 51.06 1uf3 s ASP 17 Cb 0.00 -2.57 1.53 0.00 -1.46 0.00 0.00 42.92 40.41 1uf3 s ASP 17 CO 0.00 -2.59 2.07 -0.07 0.52 0.00 0.00 175.17 175.10 1uf3 h LEU 18 N 16.80 0.00 0.01 -1.34 3.38 -1.96 -2.22 115.31 129.98 1uf3 h LEU 18 Ca 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1uf3 h LEU 18 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1uf3 h LEU 18 CO 1.26 0.09 -0.00 -0.33 0.09 0.00 0.00 178.44 179.55 1uf3 h GLU 19 N 0.00 -0.01 -1.01 1.13 5.08 -2.00 -1.42 114.58 116.36 1uf3 h GLU 19 Ca -0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1uf3 h GLU 19 Cb 0.37 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 1uf3 h GLU 19 CO 0.01 0.55 0.66 0.00 -1.00 0.00 0.00 179.01 179.23 1uf3 h ALA 20 N 0.40 1.30 -0.46 3.43 0.00 -1.88 -1.69 119.26 120.35 1uf3 h ALA 20 Ca -0.00 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1uf3 h ALA 20 Cb 0.56 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1uf3 h ALA 20 CO 0.00 0.63 0.29 1.25 0.00 0.00 0.00 179.25 181.42 1uf3 h LEU 21 N 1.33 0.48 -0.69 0.00 5.85 -1.33 0.19 115.31 121.14 1uf3 h LEU 21 Ca 0.38 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 59.15 1uf3 h LEU 21 Cb -0.10 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 1uf3 h LEU 21 CO -0.10 0.34 0.40 -0.33 -0.34 0.00 0.00 178.44 178.42 1uf3 h GLU 22 N 0.58 0.74 -0.30 1.25 5.08 -0.62 0.15 114.58 121.46 1uf3 h GLU 22 Ca 0.18 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1uf3 h GLU 22 Cb -0.02 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1uf3 h GLU 22 CO -0.07 0.49 0.10 0.87 -1.00 0.00 0.00 179.01 179.40 1uf3 h LYS 23 N 0.76 0.46 0.03 2.33 1.57 -0.58 0.19 116.57 121.33 1uf3 h LYS 23 Ca 0.30 -0.09 0.03 0.00 -1.87 0.00 0.00 60.65 59.01 1uf3 h LYS 23 Cb 0.13 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.32 1uf3 h LYS 23 CO -0.15 0.50 -0.39 0.35 -0.57 0.00 0.00 179.45 179.18 1uf3 h PHE 24 N 0.32 -1.11 -0.82 -1.35 3.57 0.07 0.23 116.94 117.85 1uf3 h PHE 24 Ca 0.10 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.67 1uf3 h PHE 24 Cb 0.23 0.48 -0.05 0.00 2.79 0.00 0.00 35.95 39.40 1uf3 h PHE 24 CO 0.00 -0.48 0.52 0.28 -2.23 0.00 0.00 178.31 176.40 1uf3 h VAL 25 N -0.57 1.10 -1.00 1.41 2.07 -0.60 -2.50 116.25 116.15 1uf3 h VAL 25 Ca 0.04 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.27 1uf3 h VAL 25 Cb 0.64 0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.36 1uf3 h VAL 25 CO -0.29 0.18 0.65 0.50 0.02 0.00 0.00 177.57 178.64 1uf3 h LYS 26 N 1.00 1.19 -0.59 1.57 3.64 0.48 -2.88 116.57 120.98 1uf3 h LYS 26 Ca 0.34 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.58 1uf3 h LYS 26 Cb 0.06 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 1uf3 h LYS 26 CO -0.13 0.79 0.11 -0.07 -2.27 0.00 0.00 179.45 177.87 1uf3 h LEU 27 N 1.23 0.92 -0.21 5.20 3.38 -0.55 -3.37 115.31 121.91 1uf3 h LEU 27 Ca 0.41 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 58.15 1uf3 h LEU 27 Cb 0.08 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1uf3 h LEU 27 CO -0.15 0.94 -0.12 0.00 0.09 0.00 0.00 178.44 179.20 1uf3 n ALA 28 N -2.43 -0.13 -0.07 1.53 0.00 -1.09 -2.15 120.51 116.17 1uf3 n ALA 28 Ca 0.03 0.18 -0.08 0.00 0.00 0.00 0.00 53.44 53.56 1uf3 n ALA 28 Cb 0.26 0.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.70 1uf3 n ALA 28 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1uf3 h PRO 29 N 0.00 -0.27 0.00 0.00 0.11 -1.78 -2.69 132.00 127.37 1uf3 h PRO 29 Ca 0.03 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1uf3 h PRO 29 Cb 0.09 0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.26 1uf3 h PRO 29 CO -0.20 -0.18 0.00 -0.44 -0.21 0.00 0.00 178.00 176.97 1uf3 h ASP 30 N -0.28 0.00 1.44 -2.05 3.32 -1.72 -2.82 116.42 114.32 1uf3 h ASP 30 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1uf3 h ASP 30 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1uf3 h ASP 30 CO -0.45 0.00 0.00 0.71 -1.72 0.00 0.00 179.24 177.78 1uf3 h THR 31 N 0.00 0.00 0.00 0.35 1.35 -1.42 -3.47 112.91 109.73 1uf3 h THR 31 Ca 0.00 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1uf3 h THR 31 Cb 0.48 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1uf3 h THR 31 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1uf3 n GLY 32 N 0.92 0.44 3.76 5.82 0.00 -1.06 -5.01 105.19 110.06 1uf3 n GLY 32 Ca 0.04 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 1uf3 n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uf3 n ALA 33 N 0.89 2.22 0.13 4.61 0.00 -1.23 -4.74 120.51 122.39 1uf3 n ALA 33 Ca 0.00 0.35 0.11 0.00 0.00 0.00 0.00 53.44 53.90 1uf3 n ALA 33 Cb 0.00 -2.40 -0.07 0.00 0.00 0.00 0.00 19.45 16.98 1uf3 n ALA 33 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1uf3 n ASP 34 N 0.88 0.46 -3.71 0.00 8.00 0.15 -4.94 116.55 117.39 1uf3 n ASP 34 Ca 0.03 0.09 -0.06 0.00 0.71 0.00 0.00 54.79 55.57 1uf3 n ASP 34 Cb 0.38 1.16 -0.01 0.00 -0.02 0.00 0.00 41.12 42.63 1uf3 n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uf3 s ALA 35 N -3.40 -1.34 0.02 2.24 0.00 -1.04 -4.12 121.76 114.12 1uf3 s ALA 35 Ca -0.03 -0.21 0.04 0.00 0.00 0.00 0.00 51.96 51.76 1uf3 s ALA 35 Cb 0.12 0.76 -0.02 0.00 0.00 0.00 0.00 23.12 23.98 1uf3 s ALA 35 CO 0.84 -1.04 -0.12 0.42 0.00 0.00 0.00 175.76 175.87 1uf3 s ILE 36 N -3.45 0.94 -0.07 0.00 1.01 -0.01 -1.14 121.20 118.48 1uf3 s ILE 36 Ca 0.12 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.97 1uf3 s ILE 36 Cb -0.04 -0.84 0.02 0.00 0.01 0.00 0.00 42.46 41.60 1uf3 s ILE 36 CO 0.06 0.03 -0.07 0.00 0.00 0.00 0.00 174.94 174.96 1uf3 s ALA 37 N -0.70 0.97 -0.04 9.38 0.00 -0.66 -1.00 121.76 129.71 1uf3 s ALA 37 Ca 0.01 -0.26 0.02 0.00 0.00 0.00 0.00 51.96 51.73 1uf3 s ALA 37 Cb -0.07 -0.59 0.01 0.00 0.00 0.00 0.00 23.12 22.47 1uf3 s ALA 37 CO 0.01 -0.10 -0.09 -1.17 0.00 0.00 0.00 175.76 174.41 1uf3 s LEU 38 N 1.10 1.69 -0.02 0.00 0.20 -0.11 -2.65 118.68 118.88 1uf3 s LEU 38 Ca -0.08 -0.20 0.03 0.00 0.69 0.00 0.00 54.13 54.58 1uf3 s LEU 38 Cb -0.14 -0.58 -0.03 0.00 -0.43 0.00 0.00 46.19 45.01 1uf3 s LEU 38 CO -0.01 0.04 -0.09 -0.63 -0.29 0.00 0.00 176.35 175.38 1uf3 s ILE 39 N 0.39 3.53 0.62 6.68 1.01 -0.93 -2.14 121.20 130.36 1uf3 s ILE 39 Ca -0.07 -0.71 -0.10 0.00 0.00 0.00 0.00 60.65 59.77 1uf3 s ILE 39 Cb -0.11 -2.48 0.16 0.00 0.01 0.00 0.00 42.46 40.03 1uf3 s ILE 39 CO 0.01 0.48 0.50 0.61 0.00 0.00 0.00 174.94 176.54 1uf3 n GLY 40 N 1.85 -2.86 3.74 6.18 0.00 -0.06 -1.04 105.19 113.00 1uf3 n GLY 40 Ca -0.16 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 1uf3 n GLY 40 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1uf3 s ASN 41 N -2.85 6.82 0.00 1.61 0.01 -1.26 -1.70 114.94 117.57 1uf3 s ASN 41 Ca 0.34 2.47 0.26 0.00 -0.71 0.00 0.00 52.86 55.22 1uf3 s ASN 41 Cb -0.04 -2.61 1.19 0.00 0.41 0.00 0.00 41.25 40.20 1uf3 s ASN 41 CO 0.26 -0.59 1.86 0.18 -1.51 0.00 0.00 177.10 177.31 1uf3 n LEU 42 N 2.64 0.00 -4.93 0.60 4.77 -1.26 -2.29 117.00 116.53 1uf3 n LEU 42 Ca 0.07 0.43 -0.21 0.00 -0.03 0.00 0.00 56.01 56.27 1uf3 n LEU 42 Cb 0.42 -0.43 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 1uf3 n LEU 42 CO 0.59 -0.04 -0.04 -2.16 -1.33 0.00 0.00 177.39 174.40 1uf3 s PRO 44 N -2.86 3.14 0.28 3.23 0.04 -1.26 -0.64 135.00 136.93 1uf3 s PRO 44 Ca 0.17 -0.97 0.02 0.00 0.04 0.00 0.00 61.00 60.26 1uf3 s PRO 44 Cb 0.17 -2.74 0.65 0.00 0.04 0.00 0.00 34.50 32.62 1uf3 s PRO 44 CO 0.45 0.27 1.75 -0.22 0.04 0.00 0.00 177.00 179.30 1uf3 h LYS 45 N 1.17 0.60 0.00 4.56 3.64 -1.91 -2.05 116.57 122.58 1uf3 h LYS 45 Ca -0.48 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1uf3 h LYS 45 Cb 1.24 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1uf3 h LYS 45 CO 0.58 0.40 0.00 0.00 -2.27 0.00 0.00 179.45 178.16 1uf3 h ALA 46 N 1.62 1.00 -2.38 5.00 0.00 -1.89 -3.44 119.26 119.18 1uf3 h ALA 46 Ca 0.53 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.91 1uf3 h ALA 46 Cb 0.84 0.00 0.19 0.00 0.00 0.00 0.00 17.79 18.81 1uf3 h ALA 46 CO -0.41 0.00 0.27 0.00 0.00 0.00 0.00 179.25 179.11 1uf3 s ALA 47 N -3.59 1.64 0.37 0.00 0.00 -0.77 -5.05 121.76 114.36 1uf3 s ALA 47 Ca -0.01 0.66 0.04 0.00 0.00 0.00 0.00 51.96 52.64 1uf3 s ALA 47 Cb 0.08 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.70 1uf3 s ALA 47 CO 0.32 -2.54 0.08 0.15 0.00 0.00 0.00 175.76 173.76 1uf3 s LYS 48 N -4.50 1.79 0.24 0.00 -0.14 -1.26 -4.94 119.74 110.93 1uf3 s LYS 48 Ca 0.68 -2.04 -0.16 0.00 -1.36 0.00 0.00 55.97 53.09 1uf3 s LYS 48 Cb -0.24 -0.81 0.27 0.00 -1.68 0.00 0.00 37.83 35.37 1uf3 s LYS 48 CO 0.55 -0.31 1.55 0.77 -0.76 0.00 0.00 175.35 177.16 1uf3 h SER 49 N 1.94 -1.36 -0.63 2.83 0.02 -1.97 0.16 113.55 114.55 1uf3 h SER 49 Ca -0.39 0.31 0.15 0.00 -0.84 0.00 0.00 61.79 61.02 1uf3 h SER 49 Cb 1.26 0.74 -0.03 0.00 0.14 0.00 0.00 62.40 64.50 1uf3 h SER 49 CO 0.65 -0.30 0.43 0.08 -1.14 0.00 0.00 176.83 176.56 1uf3 h ARG 50 N -0.00 0.20 -0.38 3.45 0.11 -1.97 0.62 114.38 116.41 1uf3 h ARG 50 Ca 0.37 -0.01 -0.04 0.00 0.10 0.00 0.00 59.98 60.39 1uf3 h ARG 50 Cb 0.62 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 31.64 1uf3 h ARG 50 CO -0.99 0.13 0.08 -0.44 0.10 0.00 0.00 179.97 178.84 1uf3 h ASP 51 N 0.21 0.60 -0.38 0.08 3.32 -1.08 -0.87 116.42 118.29 1uf3 h ASP 51 Ca 0.30 -0.25 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 1uf3 h ASP 51 Cb 0.90 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 1uf3 h ASP 51 CO -0.06 0.69 -0.06 1.88 -1.72 0.00 0.00 179.24 179.97 1uf3 h TYR 52 N 0.48 0.87 -0.24 4.55 -1.99 -1.07 0.15 116.97 119.72 1uf3 h TYR 52 Ca 0.12 -0.15 0.05 0.00 2.00 0.00 0.00 58.73 60.75 1uf3 h TYR 52 Cb 0.34 -0.23 -0.05 0.00 2.00 0.00 0.00 36.73 38.79 1uf3 h TYR 52 CO 0.02 0.84 -0.08 0.00 -0.00 0.00 0.00 178.16 178.94 1uf3 h ALA 53 N 1.19 0.14 -0.53 3.88 0.00 -0.36 0.25 119.26 123.82 1uf3 h ALA 53 Ca 0.13 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1uf3 h ALA 53 Cb 0.54 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1uf3 h ALA 53 CO 0.03 -0.49 0.09 0.00 0.00 0.00 0.00 179.25 178.88 1uf3 h ALA 54 N 1.20 0.70 -0.18 0.00 0.00 -0.74 -0.10 119.26 120.15 1uf3 h ALA 54 Ca 0.12 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1uf3 h ALA 54 Cb 0.20 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1uf3 h ALA 54 CO -0.26 0.44 -0.14 0.35 0.00 0.00 0.00 179.25 179.65 1uf3 h PHE 55 N 0.76 -0.34 -0.14 0.00 3.57 0.21 -1.29 116.94 119.71 1uf3 h PHE 55 Ca 0.16 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.58 1uf3 h PHE 55 Cb 0.40 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 1uf3 h PHE 55 CO 0.03 -0.20 -0.38 0.74 -2.23 0.00 0.00 178.31 176.27 1uf3 h PHE 56 N -0.14 0.35 -0.19 0.41 0.05 -0.38 -1.99 116.94 115.05 1uf3 h PHE 56 Ca 0.11 -0.09 0.00 0.00 3.82 0.00 0.00 57.97 61.81 1uf3 h PHE 56 Cb 0.30 -0.08 -0.01 0.00 2.00 0.00 0.00 35.95 38.16 1uf3 h PHE 56 CO -0.28 0.64 0.12 -0.09 -0.18 0.00 0.00 178.31 178.53 1uf3 h ARG 57 N 0.26 0.24 -0.05 1.51 2.43 -0.41 0.43 114.38 118.79 1uf3 h ARG 57 Ca 0.03 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1uf3 h ARG 57 Cb 0.79 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1uf3 h ARG 57 CO 0.06 0.16 -0.01 0.82 -1.51 0.00 0.00 179.97 179.49 1uf3 h ILE 58 N 0.25 0.96 -0.14 1.20 2.04 -1.08 -2.61 117.51 118.12 1uf3 h ILE 58 Ca 0.07 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 1uf3 h ILE 58 Cb -0.02 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1uf3 h ILE 58 CO -0.02 0.00 0.06 0.25 0.00 0.00 0.00 178.15 178.44 1uf3 h LEU 59 N 0.01 0.17 -2.17 1.44 6.46 -1.10 -2.57 115.31 117.54 1uf3 h LEU 59 Ca 0.02 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1uf3 h LEU 59 Cb 0.03 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 39.92 1uf3 h LEU 59 CO -0.04 0.16 0.00 0.77 -0.62 0.00 0.00 178.44 178.71 1uf3 h SER 60 N 0.20 0.00 0.55 1.25 4.64 -0.51 -2.41 113.55 117.27 1uf3 h SER 60 Ca 0.05 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 1uf3 h SER 60 Cb 0.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1uf3 h SER 60 CO -0.01 0.00 -0.09 -0.33 -0.87 0.00 0.00 176.83 175.53 1uf3 h GLU 61 N 0.00 0.00 -0.98 4.77 5.08 -1.52 -3.02 114.58 118.91 1uf3 h GLU 61 Ca 0.00 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.54 1uf3 h GLU 61 Cb 0.18 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.34 1uf3 h GLU 61 CO 0.00 0.09 0.61 0.00 -1.00 0.00 0.00 179.01 178.71 1uf3 h ALA 62 N 1.91 1.75 -5.28 3.43 0.00 -1.64 -3.46 119.26 115.98 1uf3 h ALA 62 Ca -0.00 0.05 -0.41 0.00 0.00 0.00 0.00 54.91 54.55 1uf3 h ALA 62 Cb 0.39 -0.10 0.05 0.00 0.00 0.00 0.00 17.79 18.13 1uf3 h ALA 62 CO 0.01 -0.08 -0.65 0.72 0.00 0.00 0.00 179.25 179.26 1uf3 n HIS 63 N -4.67 -2.28 -4.18 0.00 8.25 -1.14 -4.97 115.22 106.22 1uf3 n HIS 63 Ca 0.21 0.72 -0.14 0.00 -0.26 0.00 0.00 57.72 58.25 1uf3 n HIS 63 Cb 0.55 -4.40 -0.11 0.00 1.12 0.00 0.00 29.99 27.14 1uf3 n HIS 63 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1uf3 s LEU 64 N -6.95 2.41 0.13 2.41 1.43 -1.26 -5.09 118.68 111.77 1uf3 s LEU 64 Ca 0.46 -0.83 -0.33 0.00 -1.03 0.00 0.00 54.13 52.40 1uf3 s LEU 64 Cb -0.21 -0.31 -0.13 0.00 0.03 0.00 0.00 46.19 45.57 1uf3 s LEU 64 CO 0.56 -0.27 1.69 -2.65 0.23 0.00 0.00 176.35 175.92 1uf3 n PRO 65 N 0.50 2.39 -4.17 1.29 -0.02 -1.26 -4.77 135.00 128.96 1uf3 n PRO 65 Ca -0.16 0.86 -0.18 0.00 -2.02 0.00 0.00 63.50 62.01 1uf3 n PRO 65 Cb 0.58 -2.68 -0.15 0.00 -0.02 0.00 0.00 33.50 31.23 1uf3 n PRO 65 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1uf3 s THR 66 N 1.69 0.47 -0.01 3.45 2.01 0.26 -0.83 115.64 122.68 1uf3 s THR 66 Ca 0.80 -0.17 0.04 0.00 0.31 0.00 0.00 61.69 62.67 1uf3 s THR 66 Cb -0.61 -0.45 -0.01 0.00 0.01 0.00 0.00 72.50 71.44 1uf3 s THR 66 CO 0.38 0.17 -0.14 0.00 -0.69 0.00 0.00 174.62 174.35 1uf3 s ALA 67 N 0.37 1.14 0.12 7.40 0.00 -0.17 0.09 121.76 130.72 1uf3 s ALA 67 Ca -0.04 -0.57 -0.05 0.00 0.00 0.00 0.00 51.96 51.29 1uf3 s ALA 67 Cb -0.08 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 1uf3 s ALA 67 CO -0.00 0.27 0.14 1.52 0.00 0.00 0.00 175.76 177.69 1uf3 s TYR 68 N -0.25 0.54 -0.01 0.00 1.13 -0.70 -0.93 117.35 117.13 1uf3 s TYR 68 Ca 0.04 -0.95 -0.03 0.00 -1.41 0.00 0.00 57.07 54.72 1uf3 s TYR 68 Cb -0.06 -0.26 0.00 0.00 -1.10 0.00 0.00 41.96 40.54 1uf3 s TYR 68 CO -0.00 -0.57 0.06 0.54 -2.51 0.00 0.00 175.55 173.07 1uf3 s VAL 69 N -3.97 0.03 0.73 -3.49 0.11 -0.91 -1.22 120.40 111.68 1uf3 s VAL 69 Ca 0.16 -0.26 -0.10 0.00 -2.93 0.00 0.00 61.98 58.85 1uf3 s VAL 69 Cb 0.06 -0.17 0.05 0.00 -1.53 0.00 0.00 36.38 34.78 1uf3 s VAL 69 CO -0.03 -0.14 1.10 -2.16 -3.33 0.00 0.00 175.10 170.54 1uf3 s PRO 70 N -0.42 2.43 0.51 1.54 0.04 -1.26 -0.88 135.00 136.95 1uf3 s PRO 70 Ca -0.05 0.18 0.07 0.00 0.04 0.00 0.00 61.00 61.24 1uf3 s PRO 70 Cb -0.03 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.50 1uf3 s PRO 70 CO 0.00 -1.24 0.50 0.20 0.04 0.00 0.00 177.00 176.50 1uf3 s GLY 71 N -4.46 2.12 0.57 0.56 0.00 -1.26 -0.55 107.32 104.30 1uf3 s GLY 71 Ca 0.59 -1.70 0.27 0.00 0.00 0.00 0.00 44.72 43.89 1uf3 s GLY 71 CO 0.49 -1.78 2.02 -2.55 0.00 0.00 0.00 173.10 171.28 1uf3 h PRO 72 N 0.69 0.00 -0.01 2.90 0.11 -1.81 -1.69 132.00 132.18 1uf3 h PRO 72 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1uf3 h PRO 72 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1uf3 h PRO 72 CO 0.52 0.00 -0.40 1.04 -0.21 0.00 0.00 178.00 178.96 1uf3 n GLN 73 N -3.97 0.88 -1.08 1.05 6.02 -1.26 -1.20 117.38 117.82 1uf3 n GLN 73 Ca 0.05 -0.63 -0.25 0.00 -0.01 0.00 0.00 57.00 56.17 1uf3 n GLN 73 Cb 0.48 -1.49 -0.09 0.00 1.02 0.00 0.00 30.24 30.17 1uf3 n GLN 73 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1uf3 n ASP 74 N -0.51 6.64 -4.50 1.08 8.00 -0.64 -3.34 116.55 123.29 1uf3 n ASP 74 Ca 0.10 -2.47 -0.27 0.00 0.71 0.00 0.00 54.79 52.86 1uf3 n ASP 74 Cb 0.39 -1.40 -0.11 0.00 -0.02 0.00 0.00 41.12 39.98 1uf3 n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uf3 s ALA 75 N 1.84 2.75 0.54 2.24 0.00 -1.26 -4.16 121.76 123.70 1uf3 s ALA 75 Ca 0.63 -1.53 -0.20 0.00 0.00 0.00 0.00 51.96 50.87 1uf3 s ALA 75 Cb 0.22 -0.56 -0.06 0.00 0.00 0.00 0.00 23.12 22.72 1uf3 s ALA 75 CO -0.03 0.47 1.14 -2.14 0.00 0.00 0.00 175.76 175.20 1uf3 s PRO 76 N -2.69 3.37 0.30 0.00 0.02 -1.22 -4.87 135.00 129.91 1uf3 s PRO 76 Ca 0.22 1.66 0.04 0.00 0.02 0.00 0.00 61.00 62.95 1uf3 s PRO 76 Cb -0.09 -2.05 0.67 0.00 0.02 0.00 0.00 34.50 33.05 1uf3 s PRO 76 CO 0.12 -0.85 1.82 0.97 -0.33 0.00 0.00 177.00 178.73 1uf3 h ILE 77 N 1.25 0.82 0.00 2.83 6.09 -1.28 -2.70 117.51 124.52 1uf3 h ILE 77 Ca -0.50 -0.30 -0.02 0.00 -1.37 0.00 0.00 64.86 62.68 1uf3 h ILE 77 Cb 1.26 -0.12 -0.00 0.00 0.47 0.00 0.00 36.82 38.44 1uf3 h ILE 77 CO 0.57 0.16 -0.09 -0.50 -3.07 0.00 0.00 178.15 175.22 1uf3 h TRP 78 N 0.86 0.00 -0.14 2.19 4.06 -1.91 0.34 115.95 121.35 1uf3 h TRP 78 Ca 0.53 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 61.36 1uf3 h TRP 78 Cb 0.69 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.86 1uf3 h TRP 78 CO -0.00 0.09 -0.36 0.93 -3.56 0.00 0.00 178.44 175.54 1uf3 h GLU 79 N 0.00 0.50 -0.06 0.49 5.08 -1.85 0.22 114.58 118.96 1uf3 h GLU 79 Ca -0.00 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1uf3 h GLU 79 Cb 0.31 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1uf3 h GLU 79 CO 0.01 0.96 0.02 -0.92 -1.00 0.00 0.00 179.01 178.08 1uf3 h TYR 80 N 0.11 0.09 -0.91 4.33 3.20 -1.61 -2.06 116.97 120.12 1uf3 h TYR 80 Ca -0.00 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.90 1uf3 h TYR 80 Cb 0.97 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 39.16 1uf3 h TYR 80 CO 0.10 0.23 0.59 1.25 -1.64 0.00 0.00 178.16 178.69 1uf3 h LEU 81 N -0.08 0.96 -0.26 2.82 5.85 -0.87 0.96 115.31 124.70 1uf3 h LEU 81 Ca 0.02 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 1uf3 h LEU 81 Cb 0.18 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1uf3 h LEU 81 CO -0.00 0.65 -0.12 -0.09 -0.34 0.00 0.00 178.44 178.54 1uf3 h ARG 82 N 1.12 0.54 -0.05 1.25 9.65 -0.44 0.56 114.38 127.01 1uf3 h ARG 82 Ca 0.37 -0.23 -0.13 0.00 -1.10 0.00 0.00 59.98 58.89 1uf3 h ARG 82 Cb 0.06 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.60 1uf3 h ARG 82 CO -0.14 0.79 -0.54 0.93 2.80 0.00 0.00 179.97 183.81 1uf3 h GLU 83 N 0.28 0.14 0.16 0.20 4.39 -1.16 0.12 114.58 118.70 1uf3 h GLU 83 Ca 0.06 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1uf3 h GLU 83 Cb 0.62 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1uf3 h GLU 83 CO 0.04 0.65 -0.08 0.00 -1.16 0.00 0.00 179.01 178.46 1uf3 h ALA 84 N 1.34 -0.22 -0.51 3.43 0.00 -0.67 -2.20 119.26 120.44 1uf3 h ALA 84 Ca -0.00 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.87 1uf3 h ALA 84 Cb 0.99 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.79 1uf3 h ALA 84 CO 0.08 -0.52 0.05 0.00 0.00 0.00 0.00 179.25 178.86 1uf3 h ALA 85 N 0.37 0.53 -0.50 0.00 0.00 -0.63 -0.89 119.26 118.13 1uf3 h ALA 85 Ca -0.02 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1uf3 h ALA 85 Cb 0.34 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1uf3 h ALA 85 CO 0.04 -0.35 0.28 -0.91 0.00 0.00 0.00 179.25 178.30 1uf3 h ASN 86 N 0.18 0.42 0.37 0.00 2.35 -0.86 -2.43 115.58 115.60 1uf3 h ASN 86 Ca 0.26 0.02 -0.20 0.00 -0.55 0.00 0.00 56.30 55.82 1uf3 h ASN 86 Cb 0.37 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 1uf3 h ASN 86 CO -0.38 0.30 -0.84 1.62 -1.65 0.00 0.00 177.43 176.47 1uf3 h VAL 87 N 0.54 1.41 0.00 2.81 3.04 -1.04 -3.21 116.25 119.81 1uf3 h VAL 87 Ca 0.21 -2.37 -0.02 0.00 -1.01 0.00 0.00 66.70 63.52 1uf3 h VAL 87 Cb 0.08 2.31 -0.00 0.00 -2.01 0.00 0.00 31.29 31.67 1uf3 h VAL 87 CO -0.12 0.70 -0.07 -0.33 -1.01 0.00 0.00 177.57 176.74 1uf3 h GLU 88 N 0.22 0.00 -0.07 4.17 5.08 -0.97 -1.90 114.58 121.10 1uf3 h GLU 88 Ca -0.05 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1uf3 h GLU 88 Cb 1.45 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.66 1uf3 h GLU 88 CO 0.14 0.07 -0.19 -0.07 -1.00 0.00 0.00 179.01 177.96 1uf3 h LEU 89 N 0.00 -0.59 -0.69 1.33 3.38 -1.44 -2.63 115.31 114.67 1uf3 h LEU 89 Ca -0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1uf3 h LEU 89 Cb 0.40 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1uf3 h LEU 89 CO 0.01 -0.25 -0.64 1.33 0.09 0.00 0.00 178.44 178.98 1uf3 n VAL 90 N -5.33 0.00 -3.27 1.22 0.24 -1.20 -4.46 118.33 105.53 1uf3 n VAL 90 Ca -0.04 -0.18 -0.26 0.00 -2.04 0.00 0.00 64.34 61.82 1uf3 n VAL 90 Cb 0.24 1.18 -0.07 0.00 -1.47 0.00 0.00 33.84 33.72 1uf3 n VAL 90 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1uf3 n HIS 91 N -0.49 3.14 0.27 6.34 8.25 -0.72 -4.94 115.22 127.07 1uf3 n HIS 91 Ca 0.08 -4.04 0.18 0.00 -0.26 0.00 0.00 57.72 53.68 1uf3 n HIS 91 Cb 0.42 -0.51 0.96 0.00 1.12 0.00 0.00 29.99 31.99 1uf3 n HIS 91 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1uf3 h PRO 92 N 3.81 0.00 -2.57 -0.41 0.13 -1.69 -3.39 132.00 127.88 1uf3 h PRO 92 Ca 0.16 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 65.00 1uf3 h PRO 92 Cb 0.66 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.76 1uf3 h PRO 92 CO 0.78 0.00 1.08 -0.85 -0.23 0.00 0.00 178.00 178.78 1uf3 n GLU 93 N -2.74 2.11 0.00 0.86 0.00 -1.26 -5.01 120.64 114.60 1uf3 n GLU 93 Ca -0.02 -1.19 0.00 0.00 0.00 0.00 0.00 57.16 55.94 1uf3 n GLU 93 Cb 0.06 -2.17 0.00 0.00 0.00 0.00 0.00 31.44 29.32 1uf3 n GLU 93 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1uf3 n ARG 95 N 3.06 0.00 -2.50 3.44 3.00 0.11 -0.57 116.66 123.21 1uf3 n ARG 95 Ca 0.45 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.88 1uf3 n ARG 95 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.97 1uf3 n ARG 95 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1uf3 s ASN 96 N 0.00 7.07 -0.08 6.15 2.47 -1.26 -1.72 114.94 127.57 1uf3 s ASN 96 Ca 0.00 1.74 0.13 0.00 0.42 0.00 0.00 52.86 55.16 1uf3 s ASN 96 Cb 0.00 -2.56 0.41 0.00 -1.45 0.00 0.00 41.25 37.65 1uf3 s ASN 96 CO 0.00 -0.58 1.33 1.33 -3.72 0.00 0.00 177.10 175.46 1uf3 n VAL 97 N 4.70 1.55 -1.78 -5.21 0.24 -0.36 -4.84 118.33 112.64 1uf3 n VAL 97 Ca 0.11 -1.37 -0.43 0.00 -2.04 0.00 0.00 64.34 60.61 1uf3 n VAL 97 Cb 0.46 0.18 -0.03 0.00 -1.47 0.00 0.00 33.84 32.99 1uf3 n VAL 97 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1uf3 s HIS 98 N -1.78 1.45 -0.02 6.34 5.04 -1.26 -1.51 115.29 123.55 1uf3 s HIS 98 Ca 0.31 0.55 0.00 0.00 -1.54 0.00 0.00 55.06 54.39 1uf3 s HIS 98 Cb 0.22 -4.02 0.00 0.00 0.04 0.00 0.00 32.58 28.82 1uf3 s HIS 98 CO 0.13 -3.63 0.00 0.39 -2.34 0.00 0.00 174.74 169.28 1uf3 n GLU 99 N 8.57 -0.53 0.00 2.88 1.02 -0.01 -4.97 120.64 127.60 1uf3 n GLU 99 Ca 0.27 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 1uf3 n GLU 99 Cb 0.46 -3.57 0.00 0.00 -0.02 0.00 0.00 31.44 28.31 1uf3 n GLU 99 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1uf3 n THR 100 N -2.74 0.00 -3.89 2.62 5.66 -0.57 -4.99 114.28 110.38 1uf3 n THR 100 Ca -0.00 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.92 1uf3 n THR 100 Cb 0.14 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.89 1uf3 n THR 100 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1uf3 s PHE 101 N -0.96 -0.06 0.10 1.09 -0.12 -1.26 -3.67 117.98 113.09 1uf3 s PHE 101 Ca 0.00 -0.38 -0.25 0.00 -0.05 0.00 0.00 56.93 56.25 1uf3 s PHE 101 Cb 0.00 0.61 0.08 0.00 -0.63 0.00 0.00 43.02 43.07 1uf3 s PHE 101 CO 0.00 -1.20 0.66 -0.08 -0.05 0.00 0.00 175.22 174.54 1uf3 s THR 102 N -3.87 0.00 -0.13 -4.49 -1.32 -0.31 -5.00 115.64 100.52 1uf3 s THR 102 Ca 0.14 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.59 1uf3 s THR 102 Cb -0.05 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.91 1uf3 s THR 102 CO 0.08 0.00 -0.02 -0.36 -2.21 0.00 0.00 174.62 172.11 1uf3 s PHE 103 N -3.27 3.08 0.05 9.09 0.40 -1.26 -0.58 117.98 125.49 1uf3 s PHE 103 Ca -0.00 -0.06 0.03 0.00 -0.60 0.00 0.00 56.93 56.30 1uf3 s PHE 103 Cb -0.01 -1.89 -0.04 0.00 0.51 0.00 0.00 43.02 41.60 1uf3 s PHE 103 CO -0.09 0.19 0.02 -1.58 0.70 0.00 0.00 175.22 174.46 1uf3 s TRP 104 N -0.18 3.08 0.01 0.36 0.51 0.08 -4.94 118.94 117.85 1uf3 s TRP 104 Ca 0.04 0.05 -0.37 0.00 -2.12 0.00 0.00 56.10 53.70 1uf3 s TRP 104 Cb -0.13 -1.62 -0.16 0.00 -0.81 0.00 0.00 33.47 30.76 1uf3 s TRP 104 CO 0.02 0.48 1.50 -2.13 -0.51 0.00 0.00 176.95 176.32 1uf3 n ARG 105 N 0.90 1.37 0.00 4.98 3.00 -1.26 -1.03 116.66 124.62 1uf3 n ARG 105 Ca -0.12 0.50 0.00 0.00 -0.00 0.00 0.00 57.85 58.23 1uf3 n ARG 105 Cb 0.52 -2.18 0.00 0.00 0.00 0.00 0.00 32.46 30.80 1uf3 n ARG 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1uf3 n GLY 106 N 3.15 -1.17 3.91 5.14 0.00 -1.26 -1.25 105.19 113.71 1uf3 n GLY 106 Ca 0.20 0.48 -0.27 0.00 0.00 0.00 0.00 46.02 46.43 1uf3 n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uf3 s PRO 107 N 0.00 3.56 -0.02 1.61 0.04 -1.26 -5.02 135.00 133.90 1uf3 s PRO 107 Ca 0.00 0.10 0.01 0.00 0.04 0.00 0.00 61.00 61.14 1uf3 s PRO 107 Cb 0.00 -2.46 0.02 0.00 0.04 0.00 0.00 34.50 32.10 1uf3 s PRO 107 CO 0.00 -0.08 -0.01 0.71 0.04 0.00 0.00 177.00 177.66 1uf3 s TYR 108 N -2.56 0.36 -0.44 0.56 1.51 -0.20 -4.40 117.35 112.19 1uf3 s TYR 108 Ca 0.46 -0.04 -0.18 0.00 -1.01 0.00 0.00 57.07 56.31 1uf3 s TYR 108 Cb -0.10 -0.38 0.03 0.00 -0.11 0.00 0.00 41.96 41.39 1uf3 s TYR 108 CO 0.40 -0.10 0.46 -1.17 -1.11 0.00 0.00 175.55 174.04 1uf3 s LEU 109 N 0.72 4.92 -0.16 -1.29 2.96 -0.67 -0.74 118.68 124.42 1uf3 s LEU 109 Ca -0.08 -0.74 -0.09 0.00 -0.22 0.00 0.00 54.13 53.00 1uf3 s LEU 109 Cb -0.11 -2.39 -0.05 0.00 0.50 0.00 0.00 46.19 44.14 1uf3 s LEU 109 CO -0.01 -0.63 0.16 -0.69 -1.32 0.00 0.00 176.35 173.86 1uf3 s VAL 110 N 2.19 5.42 0.13 1.68 1.01 0.25 -1.31 120.40 129.77 1uf3 s VAL 110 Ca 0.12 0.26 -0.20 0.00 0.00 0.00 0.00 61.98 62.16 1uf3 s VAL 110 Cb -0.18 -3.47 0.05 0.00 0.00 0.00 0.00 36.38 32.79 1uf3 s VAL 110 CO 0.13 0.51 0.50 0.00 0.00 0.00 0.00 175.10 176.24 1uf3 s ALA 111 N -0.22 -1.26 0.29 5.51 0.00 -0.55 -1.17 121.76 124.37 1uf3 s ALA 111 Ca 0.12 0.24 -0.20 0.00 0.00 0.00 0.00 51.96 52.12 1uf3 s ALA 111 Cb -0.12 0.75 0.03 0.00 0.00 0.00 0.00 23.12 23.78 1uf3 s ALA 111 CO 0.01 -0.69 0.74 0.20 0.00 0.00 0.00 175.76 176.03 1uf3 s GLY 112 N -2.71 -0.02 -0.27 0.00 0.00 -0.83 -1.52 107.32 101.97 1uf3 s GLY 112 Ca 0.01 -0.37 -0.02 0.00 0.00 0.00 0.00 44.72 44.34 1uf3 s GLY 112 CO -0.12 -0.11 0.23 0.14 0.00 0.00 0.00 173.10 173.24 1uf3 s VAL 113 N -3.61 -0.28 0.00 1.40 1.01 -0.67 -0.83 120.40 117.42 1uf3 s VAL 113 Ca 0.12 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1uf3 s VAL 113 Cb -0.06 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.40 1uf3 s VAL 113 CO 0.08 -0.50 0.00 0.61 0.00 0.00 0.00 175.10 175.29 1uf3 n GLY 114 N 5.29 -0.57 3.63 4.51 0.00 -1.26 -4.00 105.19 112.79 1uf3 n GLY 114 Ca -0.04 -1.75 0.04 0.00 0.00 0.00 0.00 46.02 44.26 1uf3 n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uf3 n GLY 115 N 5.00 -1.93 3.67 -0.02 0.00 0.29 -4.71 105.19 107.49 1uf3 n GLY 115 Ca 0.00 -1.34 -0.41 0.00 0.00 0.00 0.00 46.02 44.26 1uf3 n GLY 115 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1uf3 s GLU 116 N -0.74 4.28 -0.50 1.61 2.12 -0.26 -4.17 118.70 121.05 1uf3 s GLU 116 Ca 0.00 1.00 -0.17 0.00 0.36 0.00 0.00 54.97 56.16 1uf3 s GLU 116 Cb 0.00 -3.58 0.08 0.00 0.26 0.00 0.00 34.13 30.89 1uf3 s GLU 116 CO 0.00 -0.34 0.49 0.42 -0.54 0.00 0.00 175.26 175.29 1uf3 s ILE 117 N 2.20 5.10 0.25 -3.70 1.01 -1.26 -0.02 121.20 124.78 1uf3 s ILE 117 Ca 0.38 -0.93 -0.06 0.00 0.00 0.00 0.00 60.65 60.03 1uf3 s ILE 117 Cb -0.16 -4.22 -0.06 0.00 0.01 0.00 0.00 42.46 38.03 1uf3 s ILE 117 CO 0.12 -0.71 0.53 0.00 0.00 0.00 0.00 174.94 174.88 1uf3 s ALA 118 N 2.00 3.63 0.15 9.38 0.00 0.16 -4.87 121.76 132.21 1uf3 s ALA 118 Ca 0.08 -0.46 -0.22 0.00 0.00 0.00 0.00 51.96 51.35 1uf3 s ALA 118 Cb -0.23 -2.32 0.03 0.00 0.00 0.00 0.00 23.12 20.59 1uf3 s ALA 118 CO 0.08 0.39 1.63 -0.44 0.00 0.00 0.00 175.76 177.42 1uf3 h ASP 119 N 2.12 -0.73 0.00 0.00 5.19 -1.95 0.26 116.42 121.31 1uf3 h ASP 119 Ca -0.47 0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.07 1uf3 h ASP 119 Cb 1.18 0.35 0.00 0.00 0.18 0.00 0.00 39.33 41.04 1uf3 h ASP 119 CO 0.68 -0.26 0.00 -1.84 -3.12 0.00 0.00 179.24 174.70 1uf3 n GLU 120 N -5.37 0.00 0.00 3.56 0.28 -1.26 -3.48 120.64 114.37 1uf3 n GLU 120 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 1uf3 n GLU 120 Cb 0.28 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.15 1uf3 n GLU 120 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1uf3 n GLY 121 N 0.00 -0.87 3.86 -1.84 0.00 -1.26 -4.58 105.19 100.49 1uf3 n GLY 121 Ca 0.00 -1.67 -0.31 0.00 0.00 0.00 0.00 46.02 44.03 1uf3 n GLY 121 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uf3 s GLU 122 N -1.77 3.90 0.45 1.61 0.41 -1.26 -4.50 118.70 117.54 1uf3 s GLU 122 Ca 0.00 0.73 -0.22 0.00 -0.41 0.00 0.00 54.97 55.07 1uf3 s GLU 122 Cb 0.00 -2.28 -0.09 0.00 -1.78 0.00 0.00 34.13 29.98 1uf3 s GLU 122 CO 0.00 -0.11 1.03 -2.14 -0.49 0.00 0.00 175.26 173.55 1uf3 s PRO 123 N -3.79 3.98 -0.01 0.39 0.02 -1.26 -4.69 135.00 129.64 1uf3 s PRO 123 Ca 0.55 1.38 0.00 0.00 0.02 0.00 0.00 61.00 62.95 1uf3 s PRO 123 Cb -0.10 -2.25 0.01 0.00 0.02 0.00 0.00 34.50 32.17 1uf3 s PRO 123 CO 0.28 -0.28 -0.00 -2.00 -0.33 0.00 0.00 177.00 174.67 1uf3 s GLU 124 N -2.98 0.08 0.00 5.54 2.56 0.22 -4.97 118.70 119.15 1uf3 s GLU 124 Ca 0.63 0.01 0.00 0.00 0.00 0.00 0.00 54.97 55.62 1uf3 s GLU 124 Cb -0.17 -0.15 0.00 0.00 2.00 0.00 0.00 34.13 35.81 1uf3 s GLU 124 CO 0.21 -0.03 0.23 0.39 -0.56 0.00 0.00 175.26 175.51 1uf3 n GLU 125 N 3.36 0.04 -0.07 4.30 1.02 -0.89 -0.24 120.64 128.16 1uf3 n GLU 125 Ca -0.16 -0.25 -0.16 0.00 -0.02 0.00 0.00 57.16 56.57 1uf3 n GLU 125 Cb 0.57 -0.54 -0.05 0.00 -0.02 0.00 0.00 31.44 31.40 1uf3 n GLU 125 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1uf3 n HIS 126 N -0.02 0.00 0.73 -0.32 8.25 -1.26 -1.11 115.22 121.50 1uf3 n HIS 126 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.59 1uf3 n HIS 126 Cb 0.32 -0.54 0.37 0.00 1.12 0.00 0.00 29.99 31.26 1uf3 n HIS 126 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1uf3 n GLU 127 N -3.77 0.19 -3.69 -0.41 -0.58 -1.26 -3.41 120.64 107.69 1uf3 n GLU 127 Ca -0.29 0.11 0.03 0.00 -0.42 0.00 0.00 57.16 56.59 1uf3 n GLU 127 Cb 0.67 -1.67 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 1uf3 n GLU 127 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1uf3 s ALA 128 N -3.09 -2.40 -0.40 0.62 0.00 -1.26 -4.91 121.76 110.32 1uf3 s ALA 128 Ca 0.10 0.62 -0.08 0.00 0.00 0.00 0.00 51.96 52.61 1uf3 s ALA 128 Cb 0.15 0.46 0.08 0.00 0.00 0.00 0.00 23.12 23.80 1uf3 s ALA 128 CO 0.63 -1.08 0.22 -0.51 0.00 0.00 0.00 175.76 175.02 1uf3 s LEU 129 N -3.20 5.00 -0.06 0.00 1.43 -0.34 -2.09 118.68 119.41 1uf3 s LEU 129 Ca 0.18 -1.52 0.01 0.00 -1.03 0.00 0.00 54.13 51.77 1uf3 s LEU 129 Cb 0.04 -1.94 0.02 0.00 0.03 0.00 0.00 46.19 44.35 1uf3 s LEU 129 CO -0.04 -0.50 -0.07 -0.60 0.23 0.00 0.00 176.35 175.37 1uf3 s ARG 130 N 1.37 1.23 -0.11 1.70 3.52 0.67 -1.10 118.95 126.24 1uf3 s ARG 130 Ca 0.03 -0.22 0.02 0.00 -0.13 0.00 0.00 55.73 55.42 1uf3 s ARG 130 Cb -0.22 -1.17 0.01 0.00 -1.56 0.00 0.00 34.95 32.01 1uf3 s ARG 130 CO 0.01 -0.09 -0.15 0.71 -0.81 0.00 0.00 175.30 174.97 1uf3 s TYR 131 N 1.04 1.91 0.66 5.12 1.51 0.98 -0.61 117.35 127.96 1uf3 s TYR 131 Ca -0.08 -0.89 -0.15 0.00 -1.01 0.00 0.00 57.07 54.94 1uf3 s TYR 131 Cb -0.14 -1.39 0.00 0.00 -0.11 0.00 0.00 41.96 40.32 1uf3 s TYR 131 CO -0.00 -0.46 1.12 -1.25 -1.11 0.00 0.00 175.55 173.85 1uf3 s PRO 132 N 0.99 2.76 0.27 -1.71 0.04 -1.26 -0.66 135.00 135.42 1uf3 s PRO 132 Ca -0.07 1.45 -0.01 0.00 0.04 0.00 0.00 61.00 62.41 1uf3 s PRO 132 Cb -0.15 -1.94 0.58 0.00 0.04 0.00 0.00 34.50 33.03 1uf3 s PRO 132 CO -0.01 -1.29 1.70 0.00 0.04 0.00 0.00 177.00 177.43 1uf3 h ALA 133 N 0.06 1.20 -0.30 8.56 0.00 -0.52 -0.62 119.26 127.64 1uf3 h ALA 133 Ca -0.47 0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.67 1uf3 h ALA 133 Cb 1.25 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1uf3 h ALA 133 CO 0.54 -0.31 0.21 0.11 0.00 0.00 0.00 179.25 179.80 1uf3 h TRP 134 N 0.37 0.04 -0.18 0.00 5.08 -1.87 -0.74 115.95 118.64 1uf3 h TRP 134 Ca 0.48 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 60.33 1uf3 h TRP 134 Cb 0.85 -0.01 0.00 0.00 -3.00 0.00 0.00 29.16 27.00 1uf3 h TRP 134 CO -0.19 0.02 -0.37 0.28 -1.28 0.00 0.00 178.44 176.90 1uf3 h VAL 135 N 0.04 1.34 -0.48 0.12 2.07 -1.46 -1.45 116.25 116.42 1uf3 h VAL 135 Ca 0.14 -1.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.04 1uf3 h VAL 135 Cb 0.51 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 1uf3 h VAL 135 CO -0.01 0.49 0.28 0.00 0.02 0.00 0.00 177.57 178.36 1uf3 h ALA 136 N 0.58 0.62 -0.73 1.67 0.00 -1.06 -1.35 119.26 118.98 1uf3 h ALA 136 Ca 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1uf3 h ALA 136 Cb 0.97 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1uf3 h ALA 136 CO 0.08 0.12 0.32 1.49 0.00 0.00 0.00 179.25 181.27 1uf3 h GLU 137 N 0.64 1.06 -0.61 0.00 4.81 -1.15 -2.48 114.58 116.85 1uf3 h GLU 137 Ca 0.17 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 1uf3 h GLU 137 Cb 0.02 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 1uf3 h GLU 137 CO -0.03 0.84 0.14 -0.92 -0.73 0.00 0.00 179.01 178.31 1uf3 h TYR 138 N 1.05 0.99 -0.60 0.92 3.20 -0.77 -1.86 116.97 119.90 1uf3 h TYR 138 Ca 0.25 -0.10 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 1uf3 h TYR 138 Cb 0.15 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.11 1uf3 h TYR 138 CO 0.01 0.82 0.22 0.00 -1.64 0.00 0.00 178.16 177.57 1uf3 h ARG 139 N 0.91 0.92 0.00 1.82 2.47 -0.81 -2.99 114.38 116.69 1uf3 h ARG 139 Ca 0.19 -0.18 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1uf3 h ARG 139 Cb 0.34 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 1uf3 h ARG 139 CO 0.00 0.80 -0.00 1.28 0.56 0.00 0.00 179.97 182.61 1uf3 n LEU 140 N -4.43 0.85 0.31 3.04 4.77 -1.04 -3.47 117.00 117.03 1uf3 n LEU 140 Ca 0.03 0.58 0.20 0.00 -0.03 0.00 0.00 56.01 56.80 1uf3 n LEU 140 Cb 0.19 -0.31 1.01 0.00 -2.33 0.00 0.00 43.42 41.97 1uf3 n LEU 140 CO 0.39 -0.19 1.11 0.07 -1.33 0.00 0.00 177.39 177.45 1uf3 h LYS 141 N 0.00 0.00 0.00 3.23 2.10 -1.19 -1.04 116.57 119.68 1uf3 h LYS 141 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 1uf3 h LYS 141 Cb 0.75 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.07 1uf3 h LYS 141 CO 0.00 0.00 -0.16 0.00 -2.00 0.00 0.00 179.45 177.29 1uf3 h ALA 142 N 2.00 1.67 0.00 0.07 0.00 -1.71 -2.58 119.26 118.70 1uf3 h ALA 142 Ca -0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1uf3 h ALA 142 Cb 0.20 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1uf3 h ALA 142 CO 0.00 0.21 -0.14 -0.07 0.00 0.00 0.00 179.25 179.24 1uf3 h LEU 143 N 0.00 0.00 -2.53 0.00 3.38 -1.43 -2.73 115.31 112.00 1uf3 h LEU 143 Ca -0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1uf3 h LEU 143 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1uf3 h LEU 143 CO 0.02 0.14 0.14 -0.50 0.09 0.00 0.00 178.44 178.34 1uf3 h TRP 144 N 0.00 0.00 0.00 1.13 -0.00 -1.62 0.63 115.95 116.09 1uf3 h TRP 144 Ca -0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 58.84 1uf3 h TRP 144 Cb 0.31 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.47 1uf3 h TRP 144 CO 0.00 0.00 -0.23 0.93 -0.00 0.00 0.00 178.44 179.14 1uf3 h GLU 145 N 0.00 0.00 -5.50 0.49 4.39 -1.70 -3.42 114.58 108.84 1uf3 h GLU 145 Ca 0.01 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.12 1uf3 h GLU 145 Cb 0.30 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 28.85 1uf3 h GLU 145 CO -0.00 0.23 -0.20 -0.51 -1.16 0.00 0.00 179.01 177.37 1uf3 s LEU 146 N -6.76 4.19 -0.07 1.33 1.43 0.21 -5.06 118.68 113.95 1uf3 s LEU 146 Ca 0.01 0.58 -0.08 0.00 -1.03 0.00 0.00 54.13 53.60 1uf3 s LEU 146 Cb 0.10 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 1uf3 s LEU 146 CO 0.64 -0.04 0.21 -0.54 0.23 0.00 0.00 176.35 176.85 1uf3 s LYS 147 N 1.07 3.55 -1.49 1.70 -0.14 -1.26 -4.65 119.74 118.52 1uf3 s LYS 147 Ca 0.20 -0.03 -0.08 0.00 -1.36 0.00 0.00 55.97 54.70 1uf3 s LYS 147 Cb -0.15 -3.17 0.06 0.00 -1.68 0.00 0.00 37.83 32.89 1uf3 s LYS 147 CO 0.08 0.74 0.74 -0.25 -0.76 0.00 0.00 175.35 175.89 1uf3 n ASP 148 N 1.76 -2.56 -4.38 2.83 8.00 -1.26 -5.00 116.55 115.94 1uf3 n ASP 148 Ca -0.17 -0.89 -0.32 0.00 0.71 0.00 0.00 54.79 54.11 1uf3 n ASP 148 Cb 0.54 -3.48 -0.15 0.00 -0.02 0.00 0.00 41.12 38.02 1uf3 n ASP 148 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1uf3 s TYR 149 N -3.55 2.56 0.23 1.24 1.51 -1.26 -5.08 117.35 113.00 1uf3 s TYR 149 Ca 0.37 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.73 1uf3 s TYR 149 Cb -0.19 -1.61 -0.09 0.00 -0.11 0.00 0.00 41.96 39.96 1uf3 s TYR 149 CO 0.86 0.00 0.95 -1.25 -1.11 0.00 0.00 175.55 175.01 1uf3 s PRO 150 N -0.47 4.83 0.08 -1.71 0.04 -1.26 -4.85 135.00 131.66 1uf3 s PRO 150 Ca 0.06 1.51 0.03 0.00 0.04 0.00 0.00 61.00 62.64 1uf3 s PRO 150 Cb -0.12 -3.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 1uf3 s PRO 150 CO 0.01 0.48 0.10 0.15 0.04 0.00 0.00 177.00 177.78 1uf3 s LYS 151 N -1.12 2.97 -0.16 4.56 1.02 -1.26 -1.66 119.74 124.09 1uf3 s LYS 151 Ca 0.42 -0.66 -0.00 0.00 0.02 0.00 0.00 55.97 55.74 1uf3 s LYS 151 Cb -0.26 -2.77 0.04 0.00 -0.52 0.00 0.00 37.83 34.31 1uf3 s LYS 151 CO 0.33 0.57 -0.07 0.42 -0.92 0.00 0.00 175.35 175.68 1uf3 s ILE 152 N -1.43 1.17 -0.08 2.17 1.01 -0.43 -0.03 121.20 123.57 1uf3 s ILE 152 Ca 0.30 -0.61 -0.02 0.00 0.00 0.00 0.00 60.65 60.33 1uf3 s ILE 152 Cb -0.12 -1.29 -0.03 0.00 0.01 0.00 0.00 42.46 41.02 1uf3 s ILE 152 CO 0.23 0.19 0.01 -0.36 0.00 0.00 0.00 174.94 175.01 1uf3 s PHE 153 N 1.62 3.18 -0.16 3.97 0.08 -0.35 -1.47 117.98 124.84 1uf3 s PHE 153 Ca 0.01 0.21 -0.00 0.00 0.12 0.00 0.00 56.93 57.27 1uf3 s PHE 153 Cb -0.15 -1.79 -0.00 0.00 -0.57 0.00 0.00 43.02 40.51 1uf3 s PHE 153 CO -0.08 0.48 -0.14 -0.51 -0.10 0.00 0.00 175.22 174.87 1uf3 s LEU 154 N -0.93 2.56 0.12 -0.37 1.43 -0.58 -0.73 118.68 120.19 1uf3 s LEU 154 Ca 0.14 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.82 1uf3 s LEU 154 Cb -0.11 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 1uf3 s LEU 154 CO 0.03 0.09 -0.05 -0.36 0.23 0.00 0.00 176.35 176.29 1uf3 s PHE 155 N 0.79 0.98 -0.27 0.29 2.99 -0.15 -1.67 117.98 120.95 1uf3 s PHE 155 Ca -0.05 -0.94 -0.06 0.00 0.00 0.00 0.00 56.93 55.88 1uf3 s PHE 155 Cb -0.15 -0.56 -0.14 0.00 0.00 0.00 0.00 43.02 42.16 1uf3 s PHE 155 CO 0.01 -0.16 -0.29 1.58 -0.00 0.00 0.00 175.22 176.35 1uf3 n HIS 156 N -0.10 0.00 -0.00 0.36 -0.00 -1.26 -3.18 115.22 111.05 1uf3 n HIS 156 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.62 1uf3 n HIS 156 Cb 0.61 -0.99 0.00 0.00 -0.00 0.00 0.00 29.99 29.62 1uf3 n HIS 156 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 1uf3 n THR 157 N -3.72 0.00 -4.47 3.57 -1.04 -1.26 -3.09 114.28 104.27 1uf3 n THR 157 Ca -0.50 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.29 1uf3 n THR 157 Cb 0.94 -0.90 -0.14 0.00 -1.82 0.00 0.00 70.33 68.41 1uf3 n THR 157 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1uf3 s PRO 159 N -0.01 1.10 0.39 -2.82 0.04 -1.26 -4.85 135.00 127.58 1uf3 s PRO 159 Ca 0.00 -0.80 -0.28 0.00 0.04 0.00 0.00 61.00 59.97 1uf3 s PRO 159 Cb 0.00 -1.14 -0.11 0.00 0.04 0.00 0.00 34.50 33.29 1uf3 s PRO 159 CO 0.00 0.29 1.46 0.98 0.04 0.00 0.00 177.00 179.77 1uf3 n TYR 160 N 1.95 2.88 -3.40 0.56 9.36 0.31 -4.40 117.16 124.43 1uf3 n TYR 160 Ca -0.17 0.46 0.02 0.00 3.32 0.00 0.00 57.90 61.52 1uf3 n TYR 160 Cb 0.54 -2.51 -0.05 0.00 -0.63 0.00 0.00 39.34 36.70 1uf3 n TYR 160 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 1uf3 s HIS 161 N -1.13 -0.40 0.25 2.98 2.46 -0.41 -4.81 115.29 114.24 1uf3 s HIS 161 Ca 0.55 0.72 -0.03 0.00 0.47 0.00 0.00 55.06 56.77 1uf3 s HIS 161 Cb -0.48 0.24 0.43 0.00 -0.13 0.00 0.00 32.58 32.64 1uf3 s HIS 161 CO 0.63 -0.20 1.81 0.87 -2.47 0.00 0.00 174.74 175.38 1uf3 h LYS 162 N 6.86 0.80 -0.65 2.88 6.56 -1.94 0.37 116.57 131.45 1uf3 h LYS 162 Ca -0.18 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.36 1uf3 h LYS 162 Cb 1.14 -0.18 0.00 0.00 -0.57 0.00 0.00 32.23 32.62 1uf3 h LYS 162 CO 0.11 0.53 0.00 0.41 -2.06 0.00 0.00 179.45 178.44 1uf3 n GLY 163 N -1.33 2.44 0.75 3.86 0.00 -1.26 -4.45 105.19 105.20 1uf3 n GLY 163 Ca 0.15 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1uf3 n GLY 163 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1uf3 n LEU 164 N 0.72 0.22 -3.15 0.99 7.94 -0.94 -4.94 117.00 117.84 1uf3 n LEU 164 Ca 0.22 0.00 0.05 0.00 -1.11 0.00 0.00 56.01 55.17 1uf3 n LEU 164 Cb 0.87 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.81 1uf3 n LEU 164 CO 0.23 -0.14 0.53 0.21 -1.11 0.00 0.00 177.39 177.10 1uf3 s ASN 165 N -3.87 -0.47 0.00 1.96 3.84 0.13 -5.00 114.94 111.53 1uf3 s ASN 165 Ca 0.00 0.11 0.10 0.00 0.21 0.00 0.00 52.86 53.28 1uf3 s ASN 165 Cb 0.00 1.32 0.46 0.00 -0.55 0.00 0.00 41.25 42.48 1uf3 s ASN 165 CO 0.00 -0.09 1.31 1.21 -2.79 0.00 0.00 177.10 176.75 1uf3 n GLU 166 N 5.22 1.21 0.00 0.43 2.13 -1.12 -1.28 120.64 127.23 1uf3 n GLU 166 Ca 0.05 -0.32 0.07 0.00 0.66 0.00 0.00 57.16 57.62 1uf3 n GLU 166 Cb 0.56 -1.17 -0.05 0.00 0.27 0.00 0.00 31.44 31.05 1uf3 n GLU 166 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1uf3 n GLN 167 N -0.33 1.95 -0.76 5.31 1.13 -1.26 -4.87 117.38 118.54 1uf3 n GLN 167 Ca 0.08 -0.31 -0.29 0.00 -1.94 0.00 0.00 57.00 54.54 1uf3 n GLN 167 Cb 0.10 -1.22 0.21 0.00 0.11 0.00 0.00 30.24 29.44 1uf3 n GLN 167 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1uf3 s GLY 168 N -2.19 1.58 -0.05 1.08 0.00 -0.97 -4.94 107.32 101.82 1uf3 s GLY 168 Ca 0.08 -0.05 -0.30 0.00 0.00 0.00 0.00 44.72 44.45 1uf3 s GLY 168 CO 0.53 0.57 1.29 -0.45 0.00 0.00 0.00 173.10 175.04 1uf3 s SER 169 N -2.82 6.96 0.27 1.64 0.15 -1.26 -3.68 113.70 114.96 1uf3 s SER 169 Ca 0.67 1.91 0.05 0.00 0.70 0.00 0.00 55.95 59.27 1uf3 s SER 169 Cb -0.23 -2.56 0.38 0.00 -1.71 0.00 0.00 66.02 61.91 1uf3 s SER 169 CO 0.61 -0.66 1.66 0.45 1.20 0.00 0.00 173.24 176.50 1uf3 h HIS 170 N 7.75 0.34 -0.57 3.44 3.86 -1.93 0.12 115.15 128.16 1uf3 h HIS 170 Ca -0.34 -0.10 -0.05 0.00 -1.16 0.00 0.00 60.37 58.72 1uf3 h HIS 170 Cb 1.16 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 29.53 1uf3 h HIS 170 CO 0.75 0.69 0.18 0.93 0.86 0.00 0.00 177.93 181.34 1uf3 h GLU 171 N 0.23 0.89 -0.51 2.45 4.39 -1.97 0.31 114.58 120.37 1uf3 h GLU 171 Ca 0.02 -0.19 -0.12 0.00 0.34 0.00 0.00 59.36 59.40 1uf3 h GLU 171 Cb 0.89 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 1uf3 h GLU 171 CO 0.07 0.80 -0.16 0.28 -1.16 0.00 0.00 179.01 178.84 1uf3 h VAL 172 N 0.81 1.27 -0.93 3.13 2.07 -1.88 -1.42 116.25 119.30 1uf3 h VAL 172 Ca 0.18 -1.33 0.07 0.00 0.82 0.00 0.00 66.70 66.44 1uf3 h VAL 172 Cb 0.29 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 1uf3 h VAL 172 CO -0.01 0.46 0.60 0.00 0.02 0.00 0.00 177.57 178.65 1uf3 h ALA 173 N 0.89 1.50 -0.67 1.67 0.00 -0.78 -0.72 119.26 121.16 1uf3 h ALA 173 Ca 0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1uf3 h ALA 173 Cb 0.74 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1uf3 h ALA 173 CO 0.06 0.35 0.34 1.25 0.00 0.00 0.00 179.25 181.26 1uf3 h HIS 174 N 1.05 0.94 -0.94 0.00 6.17 0.40 0.27 115.15 123.04 1uf3 h HIS 174 Ca 0.40 -0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.46 1uf3 h HIS 174 Cb 0.22 -0.30 -0.05 0.00 2.52 0.00 0.00 27.41 29.80 1uf3 h HIS 174 CO -0.00 0.69 0.62 -0.07 0.71 0.00 0.00 177.93 179.88 1uf3 h LEU 175 N 0.92 1.09 -0.26 0.26 3.38 -0.14 -0.55 115.31 120.01 1uf3 h LEU 175 Ca 0.23 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 58.03 1uf3 h LEU 175 Cb 0.08 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1uf3 h LEU 175 CO -0.03 0.79 -0.37 0.40 0.09 0.00 0.00 178.44 179.32 1uf3 h ILE 176 N 1.28 1.30 0.00 1.22 2.04 -0.72 -2.62 117.51 120.01 1uf3 h ILE 176 Ca 0.34 -1.56 -0.05 0.00 1.00 0.00 0.00 64.86 64.59 1uf3 h ILE 176 Cb -0.14 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1uf3 h ILE 176 CO -0.07 0.50 -0.24 0.11 0.00 0.00 0.00 178.15 178.44 1uf3 h LYS 177 N 0.45 0.00 0.04 2.37 1.57 -0.62 0.81 116.57 121.18 1uf3 h LYS 177 Ca 0.03 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1uf3 h LYS 177 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 1uf3 h LYS 177 CO 0.09 0.24 -0.02 1.15 -0.57 0.00 0.00 179.45 180.34 1uf3 h THR 178 N 0.00 1.36 0.00 -0.16 2.02 -0.99 -3.35 112.91 111.79 1uf3 h THR 178 Ca -0.00 -1.51 0.00 0.00 0.77 0.00 0.00 66.41 65.67 1uf3 h THR 178 Cb 0.45 2.33 0.00 0.00 -1.74 0.00 0.00 68.15 69.19 1uf3 h THR 178 CO 0.03 0.37 -0.55 1.41 0.37 0.00 0.00 175.52 177.15 1uf3 n HIS 179 N -4.80 0.60 -3.87 3.16 8.25 -1.00 -4.99 115.22 112.58 1uf3 n HIS 179 Ca -0.09 0.17 -0.28 0.00 -0.26 0.00 0.00 57.72 57.27 1uf3 n HIS 179 Cb 0.32 -0.69 0.00 0.00 1.12 0.00 0.00 29.99 30.74 1uf3 n HIS 179 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1uf3 n ASN 180 N -2.13 -2.04 -4.76 0.41 3.02 0.27 -4.89 115.26 105.15 1uf3 n ASN 180 Ca 0.04 -1.02 -0.37 0.00 -0.03 0.00 0.00 54.58 53.20 1uf3 n ASN 180 Cb 0.44 -3.11 0.03 0.00 -0.61 0.00 0.00 39.78 36.53 1uf3 n ASN 180 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1uf3 s PRO 181 N -6.41 3.21 0.29 3.52 0.04 -1.26 -4.74 135.00 129.65 1uf3 s PRO 181 Ca 0.17 1.92 0.01 0.00 0.04 0.00 0.00 61.00 63.15 1uf3 s PRO 181 Cb -0.07 -2.13 0.43 0.00 0.04 0.00 0.00 34.50 32.77 1uf3 s PRO 181 CO 0.88 -1.04 1.78 1.25 0.04 0.00 0.00 177.00 179.91 1uf3 h LEU 182 N 1.32 0.59 -7.71 -3.56 5.85 -0.74 -3.36 115.31 107.71 1uf3 h LEU 182 Ca -0.50 -0.15 -0.21 0.00 0.84 0.00 0.00 57.88 57.86 1uf3 h LEU 182 Cb 1.29 -0.16 -0.26 0.00 0.37 0.00 0.00 40.66 41.90 1uf3 h LEU 182 CO 0.57 0.72 -0.65 -0.22 -0.34 0.00 0.00 178.44 178.53 1uf3 s LEU 183 N -8.97 1.82 -0.13 2.25 2.96 -0.98 -2.44 118.68 113.19 1uf3 s LEU 183 Ca -0.08 0.02 -0.01 0.00 -0.22 0.00 0.00 54.13 53.85 1uf3 s LEU 183 Cb 0.15 0.22 0.03 0.00 0.50 0.00 0.00 46.19 47.08 1uf3 s LEU 183 CO 0.79 -0.07 -0.05 -0.69 -1.32 0.00 0.00 176.35 175.01 1uf3 s VAL 184 N -0.23 0.89 -0.16 1.68 1.01 -0.00 -1.22 120.40 122.37 1uf3 s VAL 184 Ca -0.03 -0.32 -0.07 0.00 0.00 0.00 0.00 61.98 61.56 1uf3 s VAL 184 Cb -0.02 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1uf3 s VAL 184 CO 0.00 0.24 0.08 -0.76 0.00 0.00 0.00 175.10 174.66 1uf3 s LEU 185 N 1.75 3.99 0.12 3.92 1.43 0.09 -0.65 118.68 129.33 1uf3 s LEU 185 Ca 0.03 0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.37 1uf3 s LEU 185 Cb -0.14 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 1uf3 s LEU 185 CO -0.07 0.26 -0.08 0.68 0.23 0.00 0.00 176.35 177.36 1uf3 s VAL 186 N -0.14 0.91 0.20 -1.59 -7.23 -0.79 -0.97 120.40 110.79 1uf3 s VAL 186 Ca 0.08 -1.99 -0.30 0.00 -1.81 0.00 0.00 61.98 57.97 1uf3 s VAL 186 Cb -0.12 -1.75 -0.08 0.00 0.56 0.00 0.00 36.38 34.99 1uf3 s VAL 186 CO 0.01 -0.81 1.09 0.00 -0.31 0.00 0.00 175.10 175.07 1uf3 s ALA 187 N -3.47 3.38 0.00 1.32 0.00 -1.18 -4.13 121.76 117.68 1uf3 s ALA 187 Ca 0.14 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.92 1uf3 s ALA 187 Cb 0.04 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1uf3 s ALA 187 CO -0.02 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 175.98 1uf3 n GLY 188 N 1.81 1.56 3.79 0.00 0.00 -1.26 -4.93 105.19 106.17 1uf3 n GLY 188 Ca 0.01 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 1uf3 n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uf3 s LYS 189 N -1.75 4.40 -0.00 1.61 1.02 -1.26 -2.63 119.74 121.12 1uf3 s LYS 189 Ca 0.00 0.99 -0.00 0.00 0.02 0.00 0.00 55.97 56.98 1uf3 s LYS 189 Cb 0.00 -3.17 0.00 0.00 -0.52 0.00 0.00 37.83 34.14 1uf3 s LYS 189 CO 0.00 0.55 0.00 0.41 -0.92 0.00 0.00 175.35 175.39 1uf3 n GLY 190 N 1.42 -2.94 3.69 -3.33 0.00 -1.26 -4.86 105.19 97.91 1uf3 n GLY 190 Ca -0.06 -0.40 -0.53 0.00 0.00 0.00 0.00 46.02 45.03 1uf3 n GLY 190 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1uf3 n GLN 191 N 0.02 1.66 -4.24 1.61 3.00 -1.26 -4.72 117.38 113.45 1uf3 n GLN 191 Ca -0.00 0.61 -0.14 0.00 -0.01 0.00 0.00 57.00 57.46 1uf3 n GLN 191 Cb 0.01 -2.37 -0.10 0.00 0.00 0.00 0.00 30.24 27.78 1uf3 n GLN 191 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1uf3 s LYS 192 N 3.70 1.29 -0.30 -1.09 1.02 -0.73 -5.01 119.74 118.63 1uf3 s LYS 192 Ca 0.95 -1.69 -0.16 0.00 0.02 0.00 0.00 55.97 55.09 1uf3 s LYS 192 Cb -0.88 0.11 0.17 0.00 -0.52 0.00 0.00 37.83 36.72 1uf3 s LYS 192 CO 0.58 -0.38 1.09 -3.38 -0.92 0.00 0.00 175.35 172.35 1uf3 s HIS 193 N -4.00 -0.39 0.00 3.18 -3.43 -1.26 -1.48 115.29 107.91 1uf3 s HIS 193 Ca 0.39 0.75 0.00 0.00 -0.80 0.00 0.00 55.06 55.40 1uf3 s HIS 193 Cb 0.07 0.24 0.00 0.00 -1.43 0.00 0.00 32.58 31.46 1uf3 s HIS 193 CO 0.13 -0.20 0.00 -1.91 -2.00 0.00 0.00 174.74 170.77 1uf3 n GLU 194 N 3.85 0.00 0.00 -0.38 4.07 -0.36 -5.00 120.64 122.82 1uf3 n GLU 194 Ca -0.15 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.95 1uf3 n GLU 194 Cb 0.56 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.94 1uf3 n GLU 194 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1uf3 n LEU 196 N 0.00 0.00 0.00 4.31 7.94 0.11 -0.61 117.00 128.75 1uf3 n LEU 196 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1uf3 n LEU 196 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1uf3 n LEU 196 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 1uf3 n GLY 197 N 0.00 1.59 0.58 -3.96 0.00 -1.26 -1.55 105.19 100.59 1uf3 n GLY 197 Ca 0.00 -0.66 0.04 0.00 0.00 0.00 0.00 46.02 45.39 1uf3 n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uf3 n ALA 198 N 8.25 2.57 -2.86 4.61 0.00 -1.26 -4.86 120.51 126.96 1uf3 n ALA 198 Ca 0.00 -0.49 -0.34 0.00 0.00 0.00 0.00 53.44 52.60 1uf3 n ALA 198 Cb 0.00 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 18.35 1uf3 n ALA 198 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1uf3 s SER 199 N -0.84 5.44 -0.51 0.00 0.01 -0.59 -4.73 113.70 112.47 1uf3 s SER 199 Ca 0.17 0.02 -0.26 0.00 1.31 0.00 0.00 55.95 57.19 1uf3 s SER 199 Cb 0.10 -1.93 0.03 0.00 0.21 0.00 0.00 66.02 64.43 1uf3 s SER 199 CO 0.10 0.16 1.01 0.86 0.41 0.00 0.00 173.24 175.78 1uf3 s TRP 200 N 0.46 2.81 -0.36 2.43 -0.00 -1.02 0.08 118.94 123.33 1uf3 s TRP 200 Ca 0.02 0.32 -0.14 0.00 -0.00 0.00 0.00 56.10 56.30 1uf3 s TRP 200 Cb -0.13 -4.18 -0.01 0.00 -0.00 0.00 0.00 33.47 29.16 1uf3 s TRP 200 CO 0.01 -1.29 0.30 0.08 -0.00 0.00 0.00 176.95 176.04 1uf3 s VAL 201 N 4.15 5.24 -0.07 5.86 1.01 0.22 -0.82 120.40 135.98 1uf3 s VAL 201 Ca 0.38 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.13 1uf3 s VAL 201 Cb -0.10 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1uf3 s VAL 201 CO 0.25 -0.12 -0.11 -0.69 0.00 0.00 0.00 175.10 174.43 1uf3 s VAL 202 N 1.82 3.28 -0.40 2.92 1.01 0.18 -1.22 120.40 127.99 1uf3 s VAL 202 Ca 0.08 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.36 1uf3 s VAL 202 Cb -0.17 -2.32 0.08 0.00 0.00 0.00 0.00 36.38 33.96 1uf3 s VAL 202 CO 0.11 0.58 0.21 -0.69 0.00 0.00 0.00 175.10 175.31 1uf3 s VAL 203 N -0.54 3.87 0.32 2.92 1.01 -0.55 -1.89 120.40 125.54 1uf3 s VAL 203 Ca 0.08 -1.51 0.27 0.00 0.00 0.00 0.00 61.98 60.82 1uf3 s VAL 203 Cb -0.12 -3.39 0.29 0.00 0.00 0.00 0.00 36.38 33.16 1uf3 s VAL 203 CO 0.02 -0.48 2.00 1.55 0.00 0.00 0.00 175.10 178.19 1uf3 h PRO 204 N 8.28 0.00 0.00 2.72 0.13 -1.81 -1.95 132.00 139.37 1uf3 h PRO 204 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1uf3 h PRO 204 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1uf3 h PRO 204 CO 0.71 0.14 0.00 0.41 -0.23 0.00 0.00 178.00 179.03 1uf3 n GLY 205 N -0.41 3.04 3.39 1.56 0.00 -1.22 -2.73 105.19 108.82 1uf3 n GLY 205 Ca -0.01 -2.00 -0.38 0.00 0.00 0.00 0.00 46.02 43.64 1uf3 n GLY 205 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uf3 s ASP 206 N 0.00 5.31 0.53 1.61 3.68 -1.08 -0.65 116.67 126.07 1uf3 s ASP 206 Ca 0.00 -0.61 0.34 0.00 2.13 0.00 0.00 52.55 54.42 1uf3 s ASP 206 Cb 0.00 -1.94 1.51 0.00 -1.45 0.00 0.00 42.92 41.04 1uf3 s ASP 206 CO 0.00 -0.19 2.02 0.25 0.13 0.00 0.00 175.17 177.38 1uf3 h LEU 207 N 8.29 0.00 0.00 -1.34 5.85 -0.62 -1.37 115.31 126.12 1uf3 h LEU 207 Ca -0.32 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1uf3 h LEU 207 Cb 1.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1uf3 h LEU 207 CO 0.61 0.00 0.00 -1.54 -0.34 0.00 0.00 178.44 177.17 1uf3 n SER 208 N -2.97 0.00 -0.04 1.25 3.41 -1.21 -0.51 113.62 113.55 1uf3 n SER 208 Ca 0.00 -0.73 0.01 0.00 -0.26 0.00 0.00 58.87 57.90 1uf3 n SER 208 Cb 0.25 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.22 1uf3 n SER 208 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1uf3 n GLU 209 N -0.97 1.86 -0.90 4.33 4.71 -0.61 -4.99 120.64 124.08 1uf3 n GLU 209 Ca 0.15 -1.37 0.00 0.00 -0.01 0.00 0.00 57.16 55.93 1uf3 n GLU 209 Cb 0.07 -0.92 0.00 0.00 -1.01 0.00 0.00 31.44 29.58 1uf3 n GLU 209 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1uf3 n GLY 210 N -0.48 0.67 3.83 0.62 0.00 0.34 -4.84 105.19 105.33 1uf3 n GLY 210 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1uf3 n GLY 210 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uf3 s GLU 211 N -0.30 4.16 0.10 1.61 2.02 -0.66 0.98 118.70 126.62 1uf3 s GLU 211 Ca 0.00 0.95 -0.26 0.00 0.02 0.00 0.00 54.97 55.68 1uf3 s GLU 211 Cb 0.00 -2.34 0.08 0.00 0.10 0.00 0.00 34.13 31.96 1uf3 s GLU 211 CO 0.00 0.08 0.90 1.52 0.02 0.00 0.00 175.26 177.78 1uf3 s TYR 212 N -2.04 -0.24 0.05 1.61 -0.85 -0.99 -3.04 117.35 111.84 1uf3 s TYR 212 Ca 0.57 -0.01 -0.03 0.00 -0.52 0.00 0.00 57.07 57.09 1uf3 s TYR 212 Cb -0.10 0.60 -0.03 0.00 0.38 0.00 0.00 41.96 42.81 1uf3 s TYR 212 CO 0.16 -0.75 0.02 -1.12 -1.52 0.00 0.00 175.55 172.34 1uf3 s SER 213 N -2.76 0.35 -0.24 -0.18 0.01 -0.22 -1.72 113.70 108.94 1uf3 s SER 213 Ca 0.09 -0.79 0.03 0.00 1.31 0.00 0.00 55.95 56.58 1uf3 s SER 213 Cb -0.01 0.20 0.05 0.00 0.21 0.00 0.00 66.02 66.47 1uf3 s SER 213 CO -0.03 -0.55 -0.13 -0.22 0.41 0.00 0.00 173.24 172.73 1uf3 s LEU 214 N -2.52 3.16 0.02 2.44 2.96 0.13 -0.52 118.68 124.34 1uf3 s LEU 214 Ca 0.01 -1.24 -0.09 0.00 -0.22 0.00 0.00 54.13 52.59 1uf3 s LEU 214 Cb 0.03 -1.52 -0.05 0.00 0.50 0.00 0.00 46.19 45.15 1uf3 s LEU 214 CO -0.08 -0.15 0.32 -0.76 -1.32 0.00 0.00 176.35 174.36 1uf3 s LEU 215 N 1.15 4.38 -0.48 -0.68 1.43 -0.28 -1.22 118.68 122.98 1uf3 s LEU 215 Ca -0.06 0.67 -0.12 0.00 -1.03 0.00 0.00 54.13 53.59 1uf3 s LEU 215 Cb -0.19 -2.70 0.11 0.00 0.03 0.00 0.00 46.19 43.44 1uf3 s LEU 215 CO -0.07 0.25 0.38 -0.62 0.23 0.00 0.00 176.35 176.53 1uf3 s ASP 216 N -1.58 5.91 0.15 2.29 -1.08 0.50 -1.71 116.67 121.15 1uf3 s ASP 216 Ca 0.28 -1.69 -0.19 0.00 -0.52 0.00 0.00 52.55 50.42 1uf3 s ASP 216 Cb -0.14 -2.09 0.03 0.00 -1.46 0.00 0.00 42.92 39.26 1uf3 s ASP 216 CO 0.15 -0.70 1.68 0.25 0.52 0.00 0.00 175.17 177.07 1uf3 h LEU 217 N 8.62 -0.34 -0.63 -1.34 5.85 -1.37 0.54 115.31 126.64 1uf3 h LEU 217 Ca -0.25 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 1uf3 h LEU 217 Cb 1.09 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.30 1uf3 h LEU 217 CO 0.89 -0.13 0.38 -0.09 -0.34 0.00 0.00 178.44 179.16 1uf3 h ARG 218 N -0.04 0.85 -0.02 1.25 2.43 -1.92 -3.03 114.38 113.90 1uf3 h ARG 218 Ca 0.14 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1uf3 h ARG 218 Cb 0.25 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1uf3 h ARG 218 CO -0.32 0.60 -0.31 0.00 -1.51 0.00 0.00 179.97 178.43 1uf3 n ALA 219 N -2.29 3.19 -2.57 2.80 0.00 -1.12 -4.94 120.51 115.58 1uf3 n ALA 219 Ca 0.05 -0.58 -0.17 0.00 0.00 0.00 0.00 53.44 52.74 1uf3 n ALA 219 Cb 0.05 -0.91 -0.00 0.00 0.00 0.00 0.00 19.45 18.59 1uf3 n ALA 219 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1uf3 n ARG 220 N 0.06 -2.44 -3.67 0.00 1.74 0.19 -4.95 116.66 107.58 1uf3 n ARG 220 Ca 0.12 0.76 -0.36 0.00 -0.77 0.00 0.00 57.85 57.59 1uf3 n ARG 220 Cb 0.45 -5.42 -0.06 0.00 -1.02 0.00 0.00 32.46 26.41 1uf3 n ARG 220 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1uf3 s LYS 221 N -5.20 3.69 -0.27 5.56 1.02 -1.07 -4.91 119.74 118.56 1uf3 s LYS 221 Ca 0.07 0.12 0.00 0.00 0.02 0.00 0.00 55.97 56.18 1uf3 s LYS 221 Cb -0.03 -3.15 0.05 0.00 -0.52 0.00 0.00 37.83 34.18 1uf3 s LYS 221 CO 0.08 0.69 -0.07 -1.17 -0.92 0.00 0.00 175.35 173.96 1uf3 s LEU 222 N -1.34 3.50 -0.36 3.17 1.98 -1.26 -0.37 118.68 123.99 1uf3 s LEU 222 Ca 0.24 -1.22 -0.12 0.00 -2.89 0.00 0.00 54.13 50.13 1uf3 s LEU 222 Cb -0.14 -1.63 0.01 0.00 0.66 0.00 0.00 46.19 45.09 1uf3 s LEU 222 CO 0.12 -0.20 0.23 -1.61 -1.89 0.00 0.00 176.35 173.01 1uf3 s GLU 223 N 1.21 3.15 0.55 1.98 2.02 -0.35 -4.96 118.70 122.29 1uf3 s GLU 223 Ca -0.05 -0.88 -0.02 0.00 0.02 0.00 0.00 54.97 54.04 1uf3 s GLU 223 Cb -0.19 -3.80 0.02 0.00 0.10 0.00 0.00 34.13 30.26 1uf3 s GLU 223 CO -0.04 -0.59 0.80 0.95 0.02 0.00 0.00 175.26 176.40 1uf3 s THR 224 N 1.65 3.21 0.14 3.63 -4.23 -1.26 0.18 115.64 118.96 1uf3 s THR 224 Ca 0.04 -0.43 -0.24 0.00 -1.18 0.00 0.00 61.69 59.88 1uf3 s THR 224 Cb -0.18 -3.24 0.08 0.00 1.34 0.00 0.00 72.50 70.50 1uf3 s THR 224 CO 0.09 -0.19 1.06 -0.83 -0.54 0.00 0.00 174.62 174.21 1uf3 s GLY 225 N -4.35 -0.07 0.03 3.99 0.00 -0.70 -4.92 107.32 101.30 1uf3 s GLY 225 Ca 0.54 -0.05 -0.04 0.00 0.00 0.00 0.00 44.72 45.17 1uf3 s GLY 225 CO 0.40 1.63 0.07 0.21 0.00 0.00 0.00 173.10 175.42 1uf3 s ASN 226 N -3.24 0.19 0.10 1.64 3.84 -1.26 -2.34 114.94 113.86 1uf3 s ASN 226 Ca 0.19 -0.51 0.22 0.00 0.21 0.00 0.00 52.86 52.96 1uf3 s ASN 226 Cb -0.01 0.20 -0.14 0.00 -0.55 0.00 0.00 41.25 40.75 1uf3 s ASN 226 CO 0.03 -0.45 0.80 0.55 -2.79 0.00 0.00 177.10 175.24 1uf3 n VAL 227 N 1.00 0.48 0.00 -5.21 3.14 0.27 -4.99 118.33 113.03 1uf3 n VAL 227 Ca -0.20 -0.55 0.00 0.00 -2.96 0.00 0.00 64.34 60.62 1uf3 n VAL 227 Cb 0.57 -0.26 0.00 0.00 -1.06 0.00 0.00 33.84 33.09 1uf3 n VAL 227 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91