#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 0.67 -1.83 5.56 1.74 -1.26 -5.09 116.66 116.45 1uf3 n ARG 3 Ca 0.00 -2.94 -0.36 0.00 -0.77 0.00 0.00 57.85 53.79 1uf3 n ARG 3 Cb 0.00 -0.07 0.05 0.00 -1.02 0.00 0.00 32.46 31.42 1uf3 n ARG 3 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1uf3 s THR 4 N -2.35 2.40 -0.21 0.55 -4.23 -1.26 -4.79 115.64 105.74 1uf3 s THR 4 Ca 0.48 0.24 -0.25 0.00 -1.18 0.00 0.00 61.69 60.98 1uf3 s THR 4 Cb -0.04 -3.04 -0.01 0.00 1.34 0.00 0.00 72.50 70.76 1uf3 s THR 4 CO 0.31 -0.06 0.84 -0.69 -0.54 0.00 0.00 174.62 174.48 1uf3 s VAL 5 N -1.61 4.84 0.00 2.29 1.01 -0.51 -4.86 120.40 121.56 1uf3 s VAL 5 Ca 0.78 1.62 0.00 0.00 0.00 0.00 0.00 61.98 64.39 1uf3 s VAL 5 Cb -0.32 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 31.92 1uf3 s VAL 5 CO 0.37 -0.04 0.00 -1.14 0.00 0.00 0.00 175.10 174.29 1uf3 n ARG 6 N 5.74 0.00 -4.58 2.72 0.63 -1.26 -4.90 116.66 115.01 1uf3 n ARG 6 Ca 0.06 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.65 1uf3 n ARG 6 Cb 0.48 -0.93 -0.13 0.00 0.45 0.00 0.00 32.46 32.33 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 -2.00 2.93 -0.13 -0.14 1.51 -1.26 -0.95 117.35 117.31 1uf3 s TYR 7 Ca 0.00 -0.35 0.02 0.00 -1.01 0.00 0.00 57.07 55.73 1uf3 s TYR 7 Cb 0.00 -1.87 0.01 0.00 -0.11 0.00 0.00 41.96 40.00 1uf3 s TYR 7 CO 0.00 -0.02 -0.19 0.42 -1.11 0.00 0.00 175.55 174.65 1uf3 s ILE 8 N 0.12 1.81 -0.19 2.71 1.01 -0.53 -0.71 121.20 125.43 1uf3 s ILE 8 Ca -0.03 -0.83 -0.24 0.00 0.00 0.00 0.00 60.65 59.55 1uf3 s ILE 8 Cb -0.14 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 1uf3 s ILE 8 CO 0.04 0.50 0.77 -0.22 0.00 0.00 0.00 174.94 176.03 1uf3 s LEU 9 N 0.91 4.15 0.08 2.97 2.96 -0.13 -0.36 118.68 129.26 1uf3 s LEU 9 Ca -0.06 1.05 0.02 0.00 -0.22 0.00 0.00 54.13 54.92 1uf3 s LEU 9 Cb -0.15 -3.12 -0.04 0.00 0.50 0.00 0.00 46.19 43.38 1uf3 s LEU 9 CO -0.02 -0.38 -0.07 0.00 -1.32 0.00 0.00 176.35 174.56 1uf3 s ALA 10 N 2.17 0.84 0.06 5.97 0.00 0.04 -0.98 121.76 129.85 1uf3 s ALA 10 Ca 0.35 -1.14 -0.28 0.00 0.00 0.00 0.00 51.96 50.89 1uf3 s ALA 10 Cb -0.16 0.11 0.10 0.00 0.00 0.00 0.00 23.12 23.17 1uf3 s ALA 10 CO 0.11 -0.15 1.15 -0.08 0.00 0.00 0.00 175.76 176.80 1uf3 s THR 11 N -2.77 0.00 0.23 0.00 -1.32 -1.15 -1.63 115.64 108.99 1uf3 s THR 11 Ca 0.04 -0.40 -0.02 0.00 -1.21 0.00 0.00 61.69 60.09 1uf3 s THR 11 Cb -0.01 -2.07 -0.03 0.00 -1.51 0.00 0.00 72.50 68.89 1uf3 s THR 11 CO -0.03 0.00 0.23 -0.94 -2.21 0.00 0.00 174.62 171.67 1uf3 s SER 12 N -3.01 0.31 -1.17 8.08 1.04 -0.41 -1.94 113.70 116.60 1uf3 s SER 12 Ca 0.14 -1.35 -0.16 0.00 0.48 0.00 0.00 55.95 55.06 1uf3 s SER 12 Cb 0.02 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.62 1uf3 s SER 12 CO -0.01 -0.95 0.31 -3.20 0.98 0.00 0.00 173.24 170.37 1uf3 n ASN 13 N -0.49 -1.49 0.00 7.02 5.15 0.62 -1.03 115.26 125.05 1uf3 n ASN 13 Ca 0.02 -1.11 0.00 0.00 -0.60 0.00 0.00 54.58 52.89 1uf3 n ASN 13 Cb 0.65 -1.35 0.00 0.00 -0.53 0.00 0.00 39.78 38.54 1uf3 n ASN 13 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1uf3 n PRO 14 N -4.30 0.00 0.00 1.20 -0.04 -0.97 -3.28 135.00 127.60 1uf3 n PRO 14 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1uf3 n PRO 14 Cb 0.53 -0.11 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 1uf3 n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uf3 n GLY 16 N 0.92 0.00 3.56 0.55 0.00 0.86 -4.26 105.19 106.81 1uf3 n GLY 16 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 6.01 0.38 1.61 -1.08 -1.26 -4.80 116.67 117.52 1uf3 s ASP 17 Ca 0.00 -1.21 0.16 0.00 -0.52 0.00 0.00 52.55 50.98 1uf3 s ASP 17 Cb 0.00 -2.57 0.77 0.00 -1.46 0.00 0.00 42.92 39.66 1uf3 s ASP 17 CO 0.00 -1.96 1.81 -0.07 0.52 0.00 0.00 175.17 175.47 1uf3 h LEU 18 N 14.67 0.00 -0.36 -1.34 3.38 -1.97 -1.51 115.31 128.18 1uf3 h LEU 18 Ca 0.17 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.98 1uf3 h LEU 18 Cb 1.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 1uf3 h LEU 18 CO 1.35 0.37 -0.41 -0.33 0.09 0.00 0.00 178.44 179.50 1uf3 h GLU 19 N 0.00 0.92 -0.27 1.13 4.39 -2.00 -0.75 114.58 118.00 1uf3 h GLU 19 Ca -0.00 -0.51 -0.07 0.00 0.34 0.00 0.00 59.36 59.12 1uf3 h GLU 19 Cb 0.74 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 1uf3 h GLU 19 CO 0.05 1.16 -0.10 0.00 -1.16 0.00 0.00 179.01 178.95 1uf3 h ALA 20 N 0.75 0.38 -0.64 3.43 0.00 -1.89 -2.17 119.26 119.11 1uf3 h ALA 20 Ca 0.05 -0.30 0.07 0.00 0.00 0.00 0.00 54.91 54.73 1uf3 h ALA 20 Cb 1.01 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 1uf3 h ALA 20 CO 0.10 0.22 0.33 1.25 0.00 0.00 0.00 179.25 181.15 1uf3 h LEU 21 N 0.29 0.46 -0.79 0.00 5.85 -1.19 0.22 115.31 120.14 1uf3 h LEU 21 Ca 0.06 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 1uf3 h LEU 21 Cb 0.60 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1uf3 h LEU 21 CO 0.03 0.29 0.16 -0.08 -0.34 0.00 0.00 178.44 178.50 1uf3 h GLU 22 N 0.60 1.06 -0.50 1.25 4.81 -1.02 0.90 114.58 121.67 1uf3 h GLU 22 Ca 0.30 -0.25 -0.11 0.00 -0.13 0.00 0.00 59.36 59.17 1uf3 h GLU 22 Cb 0.24 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1uf3 h GLU 22 CO -0.21 0.94 -0.14 0.87 -0.73 0.00 0.00 179.01 179.74 1uf3 h LYS 23 N 1.01 0.95 -0.08 1.92 1.57 -0.68 -1.51 116.57 119.74 1uf3 h LYS 23 Ca 0.21 -0.36 0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1uf3 h LYS 23 Cb 0.36 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1uf3 h LYS 23 CO 0.00 1.02 0.00 0.35 -0.57 0.00 0.00 179.45 180.26 1uf3 h PHE 24 N 0.84 0.00 -0.87 -1.35 3.57 -0.05 -2.51 116.94 116.57 1uf3 h PHE 24 Ca 0.13 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1uf3 h PHE 24 Cb 0.68 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.39 1uf3 h PHE 24 CO 0.04 -0.01 0.52 0.28 -2.23 0.00 0.00 178.31 176.92 1uf3 h VAL 25 N 0.03 1.24 0.00 1.41 2.07 -0.69 -1.90 116.25 118.42 1uf3 h VAL 25 Ca 0.04 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1uf3 h VAL 25 Cb 0.04 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.84 1uf3 h VAL 25 CO -0.06 0.26 0.00 0.29 0.02 0.00 0.00 177.57 178.08 1uf3 n LYS 26 N -4.40 0.29 0.07 1.57 5.02 -0.58 -2.46 118.16 117.66 1uf3 n LYS 26 Ca 0.09 0.11 -0.03 0.00 -2.02 0.00 0.00 58.31 56.46 1uf3 n LYS 26 Cb 0.06 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.50 1uf3 n LYS 26 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1uf3 h LEU 27 N 0.00 0.00 -0.34 -0.35 3.38 -0.95 -3.39 115.31 113.67 1uf3 h LEU 27 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1uf3 h LEU 27 Cb 0.12 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 1uf3 h LEU 27 CO 0.00 0.79 -0.09 0.00 0.09 0.00 0.00 178.44 179.23 1uf3 h ALA 28 N 1.21 0.22 -0.53 1.53 0.00 -1.58 -1.08 119.26 119.03 1uf3 h ALA 28 Ca -0.06 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1uf3 h ALA 28 Cb 1.66 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.68 1uf3 h ALA 28 CO 0.09 -0.46 0.02 -1.35 0.00 0.00 0.00 179.25 177.55 1uf3 h PRO 29 N -0.00 0.88 -0.28 0.00 0.11 -1.79 -0.77 132.00 130.15 1uf3 h PRO 29 Ca 0.16 -0.24 -0.09 0.00 0.11 0.00 0.00 66.00 65.94 1uf3 h PRO 29 Cb 0.25 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 1uf3 h PRO 29 CO -0.35 0.87 -0.21 0.22 -0.21 0.00 0.00 178.00 178.32 1uf3 h ASP 30 N 0.82 0.51 1.32 -2.05 1.82 -1.66 -3.10 116.42 114.08 1uf3 h ASP 30 Ca 0.16 -0.16 -0.08 0.00 -0.39 0.00 0.00 57.03 56.56 1uf3 h ASP 30 Cb 0.46 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.32 1uf3 h ASP 30 CO 0.02 0.72 -0.70 0.71 -1.61 0.00 0.00 179.24 178.38 1uf3 h THR 31 N 0.46 0.46 0.00 2.25 1.35 -0.92 -3.47 112.91 113.03 1uf3 h THR 31 Ca 0.07 -1.71 0.00 0.00 -0.55 0.00 0.00 66.41 64.22 1uf3 h THR 31 Cb 0.62 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 1uf3 h THR 31 CO 0.04 0.26 0.00 0.61 -0.25 0.00 0.00 175.52 176.18 1uf3 n GLY 32 N 1.23 0.71 3.44 5.82 0.00 -0.32 -5.01 105.19 111.06 1uf3 n GLY 32 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.22 -1.75 -0.02 4.61 0.00 -1.14 -4.89 120.51 117.09 1uf3 n ALA 33 Ca 0.00 0.19 0.09 0.00 0.00 0.00 0.00 53.44 53.72 1uf3 n ALA 33 Cb 0.00 -1.73 -0.16 0.00 0.00 0.00 0.00 19.45 17.55 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 1.49 0.12 -3.91 0.00 8.00 0.11 -4.93 116.55 117.43 1uf3 n ASP 34 Ca 0.12 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.53 1uf3 n ASP 34 Cb 0.38 1.89 -0.04 0.00 -0.02 0.00 0.00 41.12 43.33 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 -0.54 -0.02 2.24 0.00 -1.09 -4.12 121.76 114.84 1uf3 s ALA 35 Ca -0.08 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.20 1uf3 s ALA 35 Cb 0.13 0.99 -0.00 0.00 0.00 0.00 0.00 23.12 24.24 1uf3 s ALA 35 CO 0.88 -0.92 -0.09 0.42 0.00 0.00 0.00 175.76 176.05 1uf3 s ILE 36 N -3.93 0.77 -0.08 0.00 1.01 -0.53 -0.96 121.20 117.50 1uf3 s ILE 36 Ca 0.19 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.48 1uf3 s ILE 36 Cb -0.02 -0.67 0.01 0.00 0.01 0.00 0.00 42.46 41.79 1uf3 s ILE 36 CO 0.09 0.23 -0.13 0.00 0.00 0.00 0.00 174.94 175.13 1uf3 s ALA 37 N 0.03 1.37 -0.06 9.38 0.00 -0.16 -1.19 121.76 131.14 1uf3 s ALA 37 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1uf3 s ALA 37 Cb -0.07 -0.64 0.02 0.00 0.00 0.00 0.00 23.12 22.44 1uf3 s ALA 37 CO 0.00 0.06 -0.03 -1.17 0.00 0.00 0.00 175.76 174.63 1uf3 s LEU 38 N 0.76 1.05 -0.13 0.00 0.20 0.39 -2.92 118.68 118.03 1uf3 s LEU 38 Ca -0.12 -0.12 -0.07 0.00 0.69 0.00 0.00 54.13 54.51 1uf3 s LEU 38 Cb -0.16 -0.46 -0.04 0.00 -0.43 0.00 0.00 46.19 45.10 1uf3 s LEU 38 CO 0.03 -0.11 0.11 -0.63 -0.29 0.00 0.00 176.35 175.46 1uf3 s ILE 39 N 1.35 5.28 0.83 6.68 -1.09 -0.82 -2.34 121.20 131.09 1uf3 s ILE 39 Ca -0.04 0.12 -0.14 0.00 -2.23 0.00 0.00 60.65 58.36 1uf3 s ILE 39 Cb -0.13 -3.31 0.21 0.00 -1.58 0.00 0.00 42.46 37.65 1uf3 s ILE 39 CO -0.02 0.59 0.61 0.61 -1.23 0.00 0.00 174.94 175.49 1uf3 n GLY 40 N 2.30 -3.21 3.70 6.18 0.00 -0.21 -0.27 105.19 113.67 1uf3 n GLY 40 Ca -0.19 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 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 -3.04 6.75 0.11 1.61 0.01 -1.26 -1.58 114.94 117.54 1uf3 s ASN 41 Ca 0.43 2.31 0.19 0.00 -0.71 0.00 0.00 52.86 55.08 1uf3 s ASN 41 Cb -0.06 -2.57 0.80 0.00 0.41 0.00 0.00 41.25 39.84 1uf3 s ASN 41 CO 0.34 -0.77 1.60 0.18 -1.51 0.00 0.00 177.10 176.94 1uf3 n LEU 42 N 5.10 0.30 -4.79 0.60 4.32 -1.26 -2.29 117.00 118.98 1uf3 n LEU 42 Ca 0.14 0.57 -0.22 0.00 -0.02 0.00 0.00 56.01 56.47 1uf3 n LEU 42 Cb 0.42 -0.52 -0.05 0.00 -1.62 0.00 0.00 43.42 41.65 1uf3 n LEU 42 CO 0.60 -0.36 -0.20 -2.84 -1.22 0.00 0.00 177.39 173.37 1uf3 s PRO 44 N -3.13 2.81 0.30 3.23 0.02 -1.26 -0.10 135.00 136.87 1uf3 s PRO 44 Ca 0.06 -1.10 0.06 0.00 0.02 0.00 0.00 61.00 60.04 1uf3 s PRO 44 Cb 0.10 -2.50 0.78 0.00 0.02 0.00 0.00 34.50 32.90 1uf3 s PRO 44 CO 0.34 0.40 1.72 -0.22 -0.33 0.00 0.00 177.00 178.91 1uf3 h LYS 45 N 1.64 0.48 -0.76 5.54 1.63 -1.89 -1.71 116.57 121.51 1uf3 h LYS 45 Ca -0.48 -0.03 0.14 0.00 -0.85 0.00 0.00 60.65 59.43 1uf3 h LYS 45 Cb 1.24 -0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 32.71 1uf3 h LYS 45 CO 0.61 0.32 0.51 0.00 -3.45 0.00 0.00 179.45 177.43 1uf3 h ALA 46 N 1.71 2.04 -2.72 5.00 0.00 -1.90 -3.44 119.26 119.94 1uf3 h ALA 46 Ca 0.59 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.93 1uf3 h ALA 46 Cb 1.10 -0.08 0.16 0.00 0.00 0.00 0.00 17.79 18.98 1uf3 h ALA 46 CO -0.49 -0.24 -0.02 0.00 0.00 0.00 0.00 179.25 178.49 1uf3 n ALA 47 N -2.50 -0.21 -2.69 0.00 0.00 -0.65 -5.04 120.51 109.42 1uf3 n ALA 47 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.28 1uf3 n ALA 47 Cb 0.50 -2.03 -0.08 0.00 0.00 0.00 0.00 19.45 17.84 1uf3 n ALA 47 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1uf3 s LYS 48 N -2.55 2.11 0.20 0.00 1.02 -1.26 -4.93 119.74 114.32 1uf3 s LYS 48 Ca 0.74 -2.32 -0.22 0.00 0.02 0.00 0.00 55.97 54.18 1uf3 s LYS 48 Cb -0.43 -1.28 0.12 0.00 -0.52 0.00 0.00 37.83 35.72 1uf3 s LYS 48 CO 0.49 -0.38 1.53 0.43 -0.92 0.00 0.00 175.35 176.50 1uf3 n SER 49 N -1.26 -0.80 0.12 2.83 7.64 -1.26 -0.58 113.62 120.31 1uf3 n SER 49 Ca -0.15 1.74 0.19 0.00 1.01 0.00 0.00 58.87 61.66 1uf3 n SER 49 Cb 0.66 -0.33 0.76 0.00 -1.01 0.00 0.00 64.21 64.30 1uf3 n SER 49 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 1uf3 h ARG 50 N 0.00 0.00 -0.13 1.43 0.11 -1.97 -0.74 114.38 113.08 1uf3 h ARG 50 Ca 0.27 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 60.19 1uf3 h ARG 50 Cb 0.52 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.60 1uf3 h ARG 50 CO -0.96 0.00 -0.53 -0.44 0.10 0.00 0.00 179.97 178.14 1uf3 h ASP 51 N 0.00 0.69 -0.47 0.08 3.32 -1.24 -2.62 116.42 116.18 1uf3 h ASP 51 Ca 0.16 -0.62 -0.04 0.00 0.02 0.00 0.00 57.03 56.54 1uf3 h ASP 51 Cb 0.80 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 1uf3 h ASP 51 CO -0.00 1.20 0.14 1.88 -1.72 0.00 0.00 179.24 180.74 1uf3 h TYR 52 N 0.23 0.80 -0.81 4.55 -1.99 -1.05 -1.63 116.97 117.07 1uf3 h TYR 52 Ca -0.03 -0.06 -0.02 0.00 2.00 0.00 0.00 58.73 60.61 1uf3 h TYR 52 Cb 1.17 -0.24 -0.04 0.00 2.00 0.00 0.00 36.73 39.62 1uf3 h TYR 52 CO 0.10 0.67 0.41 0.00 -0.00 0.00 0.00 178.16 179.35 1uf3 h ALA 53 N 1.39 1.05 -0.52 3.88 0.00 -1.24 -0.03 119.26 123.80 1uf3 h ALA 53 Ca 0.17 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1uf3 h ALA 53 Cb 0.25 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1uf3 h ALA 53 CO -0.01 0.59 -0.15 0.00 0.00 0.00 0.00 179.25 179.69 1uf3 h ALA 54 N 1.22 0.71 0.31 0.00 0.00 -1.03 -1.36 119.26 119.11 1uf3 h ALA 54 Ca 0.28 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1uf3 h ALA 54 Cb 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1uf3 h ALA 54 CO -0.04 0.66 -0.26 0.35 0.00 0.00 0.00 179.25 179.96 1uf3 h PHE 55 N 0.88 -0.68 -0.25 0.00 3.57 -0.85 -2.47 116.94 117.14 1uf3 h PHE 55 Ca 0.13 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 1uf3 h PHE 55 Cb 0.72 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 1uf3 h PHE 55 CO 0.05 -0.38 -0.02 0.74 -2.23 0.00 0.00 178.31 176.47 1uf3 h PHE 56 N -0.58 0.37 -0.62 0.41 0.05 -0.96 -1.32 116.94 114.29 1uf3 h PHE 56 Ca -0.02 -0.03 -0.03 0.00 3.82 0.00 0.00 57.97 61.71 1uf3 h PHE 56 Cb 0.52 -0.11 -0.03 0.00 2.00 0.00 0.00 35.95 38.33 1uf3 h PHE 56 CO -0.15 0.40 0.28 -0.09 -0.18 0.00 0.00 178.31 178.57 1uf3 h ARG 57 N 0.36 0.91 -0.31 1.51 9.65 -1.05 0.14 114.38 125.59 1uf3 h ARG 57 Ca 0.08 -0.15 -0.10 0.00 -1.10 0.00 0.00 59.98 58.71 1uf3 h ARG 57 Cb 0.27 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.68 1uf3 h ARG 57 CO 0.01 0.75 -0.21 0.82 2.80 0.00 0.00 179.97 184.14 1uf3 h ILE 58 N 0.86 1.30 -0.37 1.20 2.04 -1.07 -3.10 117.51 118.37 1uf3 h ILE 58 Ca 0.21 -1.34 -0.06 0.00 1.00 0.00 0.00 64.86 64.67 1uf3 h ILE 58 Cb 0.15 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 1uf3 h ILE 58 CO -0.02 0.43 -0.03 0.25 0.00 0.00 0.00 178.15 178.78 1uf3 h LEU 59 N 0.45 0.57 -2.79 1.44 6.46 -0.97 -2.69 115.31 117.78 1uf3 h LEU 59 Ca 0.06 -0.13 -0.00 0.00 -0.12 0.00 0.00 57.88 57.70 1uf3 h LEU 59 Cb 0.75 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 40.53 1uf3 h LEU 59 CO 0.06 0.66 -0.00 0.77 -0.62 0.00 0.00 178.44 179.31 1uf3 h SER 60 N 0.57 0.00 0.46 1.25 4.64 -0.64 -2.51 113.55 117.32 1uf3 h SER 60 Ca 0.11 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.41 1uf3 h SER 60 Cb 0.41 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1uf3 h SER 60 CO 0.02 0.00 -0.10 -0.33 -0.87 0.00 0.00 176.83 175.55 1uf3 h GLU 61 N 0.00 0.00 -0.96 4.77 4.39 -1.50 -3.11 114.58 118.16 1uf3 h GLU 61 Ca -0.00 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.78 1uf3 h GLU 61 Cb 0.06 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.64 1uf3 h GLU 61 CO 0.00 0.10 0.61 0.00 -1.16 0.00 0.00 179.01 178.55 1uf3 h ALA 62 N 1.90 1.36 -5.82 3.43 0.00 -1.65 -3.47 119.26 115.01 1uf3 h ALA 62 Ca -0.00 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.54 1uf3 h ALA 62 Cb 0.35 -0.25 0.12 0.00 0.00 0.00 0.00 17.79 18.01 1uf3 h ALA 62 CO 0.01 0.33 -0.79 0.72 0.00 0.00 0.00 179.25 179.52 1uf3 n HIS 63 N -4.57 -2.10 -3.89 0.00 8.25 -1.18 -5.00 115.22 106.73 1uf3 n HIS 63 Ca 0.15 0.90 -0.11 0.00 -0.26 0.00 0.00 57.72 58.41 1uf3 n HIS 63 Cb 0.23 -4.82 -0.10 0.00 1.12 0.00 0.00 29.99 26.42 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 -6.50 1.64 0.27 2.41 1.43 -1.26 -5.12 118.68 111.54 1uf3 s LEU 64 Ca 0.02 -0.32 -0.30 0.00 -1.03 0.00 0.00 54.13 52.50 1uf3 s LEU 64 Cb -0.01 0.65 -0.14 0.00 0.03 0.00 0.00 46.19 46.72 1uf3 s LEU 64 CO 0.76 -0.42 1.19 -2.65 0.23 0.00 0.00 176.35 175.46 1uf3 n PRO 65 N 1.22 1.63 -3.76 1.29 -0.02 -1.26 -4.79 135.00 129.32 1uf3 n PRO 65 Ca -0.22 0.58 -0.13 0.00 -2.02 0.00 0.00 63.50 61.71 1uf3 n PRO 65 Cb 0.56 -2.08 -0.13 0.00 -0.02 0.00 0.00 33.50 31.84 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 -0.67 -0.03 0.04 3.45 2.01 -0.55 -1.45 115.64 118.44 1uf3 s THR 66 Ca 0.63 0.11 0.06 0.00 0.31 0.00 0.00 61.69 62.79 1uf3 s THR 66 Cb -0.69 -0.32 -0.02 0.00 0.01 0.00 0.00 72.50 71.48 1uf3 s THR 66 CO 0.57 0.04 -0.16 0.00 -0.69 0.00 0.00 174.62 174.38 1uf3 s ALA 67 N 0.85 1.32 0.10 7.40 0.00 -0.34 -0.59 121.76 130.52 1uf3 s ALA 67 Ca -0.06 -0.90 -0.16 0.00 0.00 0.00 0.00 51.96 50.84 1uf3 s ALA 67 Cb -0.08 -0.22 0.03 0.00 0.00 0.00 0.00 23.12 22.86 1uf3 s ALA 67 CO -0.05 0.26 0.38 1.52 0.00 0.00 0.00 175.76 177.88 1uf3 s TYR 68 N -0.86 -0.19 0.06 0.00 1.13 -0.83 -0.46 117.35 116.20 1uf3 s TYR 68 Ca 0.03 -0.08 0.03 0.00 -1.41 0.00 0.00 57.07 55.63 1uf3 s TYR 68 Cb -0.08 0.22 -0.03 0.00 -1.10 0.00 0.00 41.96 40.97 1uf3 s TYR 68 CO 0.01 -0.66 -0.09 0.14 -2.51 0.00 0.00 175.55 172.45 1uf3 s VAL 69 N -3.52 0.70 0.68 -3.49 -7.23 -0.99 -1.39 120.40 105.17 1uf3 s VAL 69 Ca 0.01 -1.33 -0.10 0.00 -1.81 0.00 0.00 61.98 58.75 1uf3 s VAL 69 Cb 0.02 -0.95 0.02 0.00 0.56 0.00 0.00 36.38 36.02 1uf3 s VAL 69 CO -0.10 -0.46 1.05 -2.16 -0.31 0.00 0.00 175.10 173.12 1uf3 s PRO 70 N -2.13 2.83 0.53 4.82 0.04 -1.26 -1.04 135.00 138.78 1uf3 s PRO 70 Ca -0.03 0.32 0.07 0.00 0.04 0.00 0.00 61.00 61.40 1uf3 s PRO 70 Cb -0.07 -2.09 0.07 0.00 0.04 0.00 0.00 34.50 32.46 1uf3 s PRO 70 CO -0.00 -0.97 0.60 0.41 0.04 0.00 0.00 177.00 177.08 1uf3 n GLY 71 N -2.91 2.29 0.30 0.56 0.00 -1.26 -0.58 105.19 103.58 1uf3 n GLY 71 Ca 0.06 -2.25 0.14 0.00 0.00 0.00 0.00 46.02 43.98 1uf3 n GLY 71 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1uf3 h PRO 72 N 0.00 0.00 -0.01 1.61 0.11 -1.80 -2.64 132.00 129.27 1uf3 h PRO 72 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1uf3 h PRO 72 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1uf3 h PRO 72 CO 0.42 0.00 -0.18 1.04 -0.21 0.00 0.00 178.00 179.07 1uf3 n GLN 73 N -3.92 1.28 -1.26 1.05 6.02 -1.26 -1.54 117.38 117.74 1uf3 n GLN 73 Ca -0.03 -0.84 -0.31 0.00 -0.01 0.00 0.00 57.00 55.82 1uf3 n GLN 73 Cb 0.10 -1.48 -0.07 0.00 1.02 0.00 0.00 30.24 29.80 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 -0.13 7.66 -4.40 1.08 8.00 -0.99 -3.01 116.55 124.75 1uf3 n ASP 74 Ca 0.14 -2.59 -0.26 0.00 0.71 0.00 0.00 54.79 52.79 1uf3 n ASP 74 Cb 0.39 -1.50 -0.12 0.00 -0.02 0.00 0.00 41.12 39.87 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 1.54 2.42 0.67 2.24 0.00 -1.26 -4.01 121.76 123.35 1uf3 s ALA 75 Ca 0.68 -1.61 -0.16 0.00 0.00 0.00 0.00 51.96 50.87 1uf3 s ALA 75 Cb 0.23 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 23.06 1uf3 s ALA 75 CO -0.05 0.38 1.15 -1.25 0.00 0.00 0.00 175.76 176.00 1uf3 s PRO 76 N -2.71 2.61 0.32 0.00 0.04 -1.23 -4.90 135.00 129.13 1uf3 s PRO 76 Ca 0.20 1.58 0.06 0.00 0.04 0.00 0.00 61.00 62.87 1uf3 s PRO 76 Cb -0.07 -1.91 0.71 0.00 0.04 0.00 0.00 34.50 33.27 1uf3 s PRO 76 CO 0.09 -1.43 1.85 0.97 0.04 0.00 0.00 177.00 178.52 1uf3 h ILE 77 N 0.06 0.85 0.00 0.56 6.09 -1.09 -2.68 117.51 121.30 1uf3 h ILE 77 Ca -0.48 -0.28 -0.01 0.00 -1.37 0.00 0.00 64.86 62.72 1uf3 h ILE 77 Cb 1.27 -0.03 -0.00 0.00 0.47 0.00 0.00 36.82 38.52 1uf3 h ILE 77 CO 0.53 0.15 -0.07 -0.50 -3.07 0.00 0.00 178.15 175.19 1uf3 h TRP 78 N 0.82 0.00 -0.00 2.19 4.06 -1.90 -0.82 115.95 120.30 1uf3 h TRP 78 Ca 0.48 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.42 1uf3 h TRP 78 Cb 0.65 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.81 1uf3 h TRP 78 CO -0.00 0.07 -0.03 0.93 -3.56 0.00 0.00 178.44 175.85 1uf3 h GLU 79 N 0.00 0.02 -0.09 0.49 5.08 -1.84 -0.69 114.58 117.56 1uf3 h GLU 79 Ca -0.00 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1uf3 h GLU 79 Cb 0.27 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 1uf3 h GLU 79 CO 0.01 0.76 -0.07 -0.92 -1.00 0.00 0.00 179.01 177.79 1uf3 h TYR 80 N -0.70 -0.16 -0.80 4.33 3.20 -1.63 -2.60 116.97 118.61 1uf3 h TYR 80 Ca -0.00 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.92 1uf3 h TYR 80 Cb 0.76 0.09 -0.05 0.00 1.54 0.00 0.00 36.73 39.07 1uf3 h TYR 80 CO 0.18 -0.11 0.50 1.25 -1.64 0.00 0.00 178.16 178.34 1uf3 h LEU 81 N -0.08 0.80 -0.45 2.82 5.85 -1.18 -1.35 115.31 121.72 1uf3 h LEU 81 Ca 0.06 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 1uf3 h LEU 81 Cb 0.16 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1uf3 h LEU 81 CO -0.14 0.53 -0.03 -0.09 -0.34 0.00 0.00 178.44 178.37 1uf3 h ARG 82 N 0.94 0.82 0.00 1.25 2.43 -0.96 -0.65 114.38 118.21 1uf3 h ARG 82 Ca 0.33 -0.28 -0.11 0.00 -0.81 0.00 0.00 59.98 59.11 1uf3 h ARG 82 Cb 0.08 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1uf3 h ARG 82 CO -0.14 0.89 -0.53 0.93 -1.51 0.00 0.00 179.97 179.61 1uf3 h GLU 83 N 0.66 0.00 -0.14 0.20 4.39 -1.28 -0.12 114.58 118.29 1uf3 h GLU 83 Ca 0.12 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.76 1uf3 h GLU 83 Cb 0.55 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1uf3 h GLU 83 CO 0.03 0.53 -0.18 0.00 -1.16 0.00 0.00 179.01 178.23 1uf3 h ALA 84 N 1.47 0.21 -0.64 3.43 0.00 -1.09 -2.51 119.26 120.13 1uf3 h ALA 84 Ca -0.01 -0.34 0.05 0.00 0.00 0.00 0.00 54.91 54.61 1uf3 h ALA 84 Cb 0.97 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 1uf3 h ALA 84 CO 0.07 0.13 0.36 0.00 0.00 0.00 0.00 179.25 179.80 1uf3 h ALA 85 N 0.59 0.85 0.30 0.00 0.00 -0.87 -0.94 119.26 119.19 1uf3 h ALA 85 Ca 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1uf3 h ALA 85 Cb 0.72 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1uf3 h ALA 85 CO 0.04 0.04 -0.15 -0.91 0.00 0.00 0.00 179.25 178.27 1uf3 h ASN 86 N 0.67 -0.37 0.26 0.00 2.35 -0.96 -2.54 115.58 114.99 1uf3 h ASN 86 Ca 0.28 0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.95 1uf3 h ASN 86 Cb 0.15 0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1uf3 h ASN 86 CO -0.17 -0.26 -0.37 1.62 -1.65 0.00 0.00 177.43 176.60 1uf3 h VAL 87 N -0.42 1.29 0.00 2.81 3.04 -1.31 -2.96 116.25 118.71 1uf3 h VAL 87 Ca -0.04 -1.40 0.00 0.00 -1.01 0.00 0.00 66.70 64.26 1uf3 h VAL 87 Cb 0.33 1.65 0.00 0.00 -2.01 0.00 0.00 31.29 31.25 1uf3 h VAL 87 CO 0.06 0.41 0.00 -0.33 -1.01 0.00 0.00 177.57 176.70 1uf3 h GLU 88 N 0.15 0.00 -0.14 4.17 5.08 -1.03 -1.19 114.58 121.62 1uf3 h GLU 88 Ca 0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1uf3 h GLU 88 Cb 0.73 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1uf3 h GLU 88 CO 0.06 0.00 0.04 -0.07 -1.00 0.00 0.00 179.01 178.03 1uf3 h LEU 89 N 0.00 0.21 -0.24 1.33 3.38 -1.27 -3.10 115.31 115.61 1uf3 h LEU 89 Ca 0.00 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1uf3 h LEU 89 Cb 0.51 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1uf3 h LEU 89 CO 0.00 0.38 -0.83 1.33 0.09 0.00 0.00 178.44 179.41 1uf3 n VAL 90 N -4.84 0.00 -3.35 1.22 0.24 -1.17 -4.42 118.33 106.01 1uf3 n VAL 90 Ca -0.05 -0.09 -0.26 0.00 -2.04 0.00 0.00 64.34 61.90 1uf3 n VAL 90 Cb 0.16 1.06 -0.08 0.00 -1.47 0.00 0.00 33.84 33.51 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 -1.12 2.28 0.26 6.34 8.25 -0.46 -4.95 115.22 125.82 1uf3 n HIS 91 Ca 0.05 -3.95 0.02 0.00 -0.26 0.00 0.00 57.72 53.58 1uf3 n HIS 91 Cb 0.35 -0.48 0.13 0.00 1.12 0.00 0.00 29.99 31.10 1uf3 n HIS 91 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1uf3 n PRO 92 N 1.06 0.09 -0.97 -0.41 -0.04 -1.17 -4.39 135.00 129.18 1uf3 n PRO 92 Ca 0.27 0.18 -0.12 0.00 -0.04 0.00 0.00 63.50 63.79 1uf3 n PRO 92 Cb 0.45 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.25 1uf3 n PRO 92 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1uf3 n GLU 93 N -1.21 1.94 0.00 0.54 0.00 -1.26 -5.04 120.64 115.61 1uf3 n GLU 93 Ca 0.03 -0.97 0.00 0.00 0.00 0.00 0.00 57.16 56.22 1uf3 n GLU 93 Cb 0.03 -1.98 0.00 0.00 0.00 0.00 0.00 31.44 29.49 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 2.51 0.00 -2.59 3.44 3.00 0.25 -1.49 116.66 121.78 1uf3 n ARG 95 Ca 0.42 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.84 1uf3 n ARG 95 Cb 0.89 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 33.33 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 6.92 -0.00 6.15 2.47 -1.26 -1.97 114.94 127.24 1uf3 s ASN 96 Ca 0.00 1.19 0.22 0.00 0.42 0.00 0.00 52.86 54.69 1uf3 s ASN 96 Cb 0.00 -2.54 0.65 0.00 -1.45 0.00 0.00 41.25 37.90 1uf3 s ASN 96 CO 0.00 -0.87 1.54 1.33 -3.72 0.00 0.00 177.10 175.38 1uf3 n VAL 97 N 5.79 1.00 -1.63 -5.21 0.24 -0.49 -4.83 118.33 113.19 1uf3 n VAL 97 Ca 0.13 -0.98 -0.43 0.00 -2.04 0.00 0.00 64.34 61.02 1uf3 n VAL 97 Cb 0.47 0.48 -0.03 0.00 -1.47 0.00 0.00 33.84 33.28 1uf3 n VAL 97 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1uf3 n HIS 98 N 1.62 2.28 -0.92 6.34 -0.00 -1.26 -1.09 115.22 122.19 1uf3 n HIS 98 Ca 0.24 -0.26 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 1uf3 n HIS 98 Cb 0.62 -2.77 0.00 0.00 -0.00 0.00 0.00 29.99 27.84 1uf3 n HIS 98 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1uf3 n GLU 99 N 8.01 -0.98 0.00 1.57 1.02 -0.07 -4.92 120.64 125.27 1uf3 n GLU 99 Ca 0.24 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 1uf3 n GLU 99 Cb 0.42 -4.17 0.00 0.00 -0.02 0.00 0.00 31.44 27.66 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 -2.27 0.00 -3.80 2.62 5.66 -0.25 -4.98 114.28 111.26 1uf3 n THR 100 Ca 0.00 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.91 1uf3 n THR 100 Cb 0.24 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.99 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 -0.51 -0.05 0.18 1.09 -0.12 -1.26 -3.62 117.98 113.70 1uf3 s PHE 101 Ca 0.00 -0.32 -0.16 0.00 -0.05 0.00 0.00 56.93 56.40 1uf3 s PHE 101 Cb 0.00 0.41 0.02 0.00 -0.63 0.00 0.00 43.02 42.83 1uf3 s PHE 101 CO 0.00 -0.99 0.47 -0.08 -0.05 0.00 0.00 175.22 174.57 1uf3 s THR 102 N -3.91 0.04 -0.07 -4.49 -1.32 -0.19 -5.00 115.64 100.70 1uf3 s THR 102 Ca 0.12 -0.85 0.01 0.00 -1.21 0.00 0.00 61.69 59.77 1uf3 s THR 102 Cb -0.02 -1.57 -0.03 0.00 -1.51 0.00 0.00 72.50 69.37 1uf3 s THR 102 CO 0.01 -0.17 -0.09 -0.36 -2.21 0.00 0.00 174.62 171.80 1uf3 s PHE 103 N -3.88 2.86 0.23 9.09 0.40 -1.26 -0.45 117.98 124.97 1uf3 s PHE 103 Ca 0.10 -0.07 0.09 0.00 -0.60 0.00 0.00 56.93 56.44 1uf3 s PHE 103 Cb -0.00 -1.70 -0.04 0.00 0.51 0.00 0.00 43.02 41.79 1uf3 s PHE 103 CO -0.03 0.25 -0.01 -1.58 0.70 0.00 0.00 175.22 174.55 1uf3 s TRP 104 N -0.69 2.74 0.19 0.36 0.51 -0.23 -4.95 118.94 116.86 1uf3 s TRP 104 Ca 0.10 -0.20 -0.31 0.00 -2.12 0.00 0.00 56.10 53.58 1uf3 s TRP 104 Cb -0.11 -1.26 -0.09 0.00 -0.81 0.00 0.00 33.47 31.19 1uf3 s TRP 104 CO 0.01 0.57 1.46 0.50 -0.51 0.00 0.00 176.95 178.99 1uf3 s ARG 105 N -3.35 4.27 0.00 4.98 3.52 -1.26 -1.47 118.95 125.63 1uf3 s ARG 105 Ca 0.29 2.25 0.00 0.00 -0.13 0.00 0.00 55.73 58.15 1uf3 s ARG 105 Cb -0.08 -3.16 0.00 0.00 -1.56 0.00 0.00 34.95 30.15 1uf3 s ARG 105 CO 0.19 -0.47 0.00 0.41 -0.81 0.00 0.00 175.30 174.62 1uf3 n GLY 106 N 3.03 -0.67 3.93 8.12 0.00 -1.26 -1.43 105.19 116.91 1uf3 n GLY 106 Ca 0.10 0.34 -0.25 0.00 0.00 0.00 0.00 46.02 46.21 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 3.40 -0.02 1.61 0.04 -1.26 -5.02 135.00 133.74 1uf3 s PRO 107 Ca 0.00 -0.12 0.01 0.00 0.04 0.00 0.00 61.00 60.93 1uf3 s PRO 107 Cb 0.00 -2.50 0.01 0.00 0.04 0.00 0.00 34.50 32.05 1uf3 s PRO 107 CO 0.00 -0.12 -0.04 0.71 0.04 0.00 0.00 177.00 177.59 1uf3 s TYR 108 N -2.57 0.55 -0.45 0.56 1.51 -0.54 -4.28 117.35 112.13 1uf3 s TYR 108 Ca 0.45 -0.12 -0.18 0.00 -1.01 0.00 0.00 57.07 56.22 1uf3 s TYR 108 Cb -0.10 -0.46 0.04 0.00 -0.11 0.00 0.00 41.96 41.33 1uf3 s TYR 108 CO 0.40 -0.09 0.48 -1.17 -1.11 0.00 0.00 175.55 174.07 1uf3 s LEU 109 N 0.43 5.01 -0.20 -1.29 2.96 -0.27 -1.07 118.68 124.24 1uf3 s LEU 109 Ca -0.05 -0.83 -0.13 0.00 -0.22 0.00 0.00 54.13 52.90 1uf3 s LEU 109 Cb -0.09 -2.38 -0.05 0.00 0.50 0.00 0.00 46.19 44.18 1uf3 s LEU 109 CO -0.00 -0.68 0.27 -0.69 -1.32 0.00 0.00 176.35 173.92 1uf3 s VAL 110 N 2.20 5.30 0.16 1.68 1.01 0.41 -0.68 120.40 130.49 1uf3 s VAL 110 Ca 0.12 0.45 -0.10 0.00 0.00 0.00 0.00 61.98 62.44 1uf3 s VAL 110 Cb -0.19 -3.60 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 1uf3 s VAL 110 CO 0.12 0.34 0.31 0.00 0.00 0.00 0.00 175.10 175.87 1uf3 s ALA 111 N 0.88 -0.17 0.25 5.51 0.00 -0.11 -1.02 121.76 127.10 1uf3 s ALA 111 Ca 0.14 -0.75 -0.22 0.00 0.00 0.00 0.00 51.96 51.13 1uf3 s ALA 111 Cb -0.13 0.82 0.04 0.00 0.00 0.00 0.00 23.12 23.84 1uf3 s ALA 111 CO 0.04 -0.65 0.81 0.20 0.00 0.00 0.00 175.76 176.16 1uf3 s GLY 112 N -2.94 -0.08 -0.23 0.00 0.00 -1.02 -0.82 107.32 102.23 1uf3 s GLY 112 Ca 0.14 -0.23 -0.03 0.00 0.00 0.00 0.00 44.72 44.61 1uf3 s GLY 112 CO -0.02 0.01 0.22 0.14 0.00 0.00 0.00 173.10 173.45 1uf3 s VAL 113 N -3.50 -0.30 0.00 1.40 1.01 -0.68 -0.89 120.40 117.44 1uf3 s VAL 113 Ca 0.12 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1uf3 s VAL 113 Cb -0.04 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.55 1uf3 s VAL 113 CO 0.06 -0.34 0.00 0.61 0.00 0.00 0.00 175.10 175.43 1uf3 n GLY 114 N 5.31 0.27 4.47 4.51 0.00 -1.26 -3.76 105.19 114.73 1uf3 n GLY 114 Ca -0.05 -1.87 0.02 0.00 0.00 0.00 0.00 46.02 44.12 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 3.64 -0.02 0.00 0.25 -4.69 105.19 107.44 1uf3 n GLY 115 Ca 0.00 -1.36 -0.40 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 -0.51 4.15 -0.56 1.61 2.12 -0.20 -4.18 118.70 121.12 1uf3 s GLU 116 Ca 0.00 0.61 -0.21 0.00 0.36 0.00 0.00 54.97 55.73 1uf3 s GLU 116 Cb 0.00 -3.62 0.07 0.00 0.26 0.00 0.00 34.13 30.83 1uf3 s GLU 116 CO 0.00 -0.36 0.77 0.42 -0.54 0.00 0.00 175.26 175.55 1uf3 s ILE 117 N 2.31 4.66 0.39 -3.70 1.01 -1.26 -0.30 121.20 124.32 1uf3 s ILE 117 Ca 0.28 -0.43 -0.10 0.00 0.00 0.00 0.00 60.65 60.40 1uf3 s ILE 117 Cb -0.16 -4.46 -0.06 0.00 0.01 0.00 0.00 42.46 37.79 1uf3 s ILE 117 CO 0.09 -1.06 0.74 0.00 0.00 0.00 0.00 174.94 174.71 1uf3 s ALA 118 N 3.17 3.38 0.19 9.38 0.00 0.60 -4.85 121.76 133.63 1uf3 s ALA 118 Ca 0.19 -0.24 -0.12 0.00 0.00 0.00 0.00 51.96 51.78 1uf3 s ALA 118 Cb -0.19 -2.66 0.11 0.00 0.00 0.00 0.00 23.12 20.39 1uf3 s ALA 118 CO 0.12 0.02 1.86 -0.44 0.00 0.00 0.00 175.76 177.31 1uf3 h ASP 119 N 1.30 0.72 0.00 0.00 3.32 -1.95 0.18 116.42 120.00 1uf3 h ASP 119 Ca -0.47 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1uf3 h ASP 119 Cb 1.19 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.56 1uf3 h ASP 119 CO 0.64 0.52 0.00 -0.62 -1.72 0.00 0.00 179.24 178.06 1uf3 n GLU 120 N -4.65 0.00 0.00 3.56 1.02 -1.26 -3.37 120.64 115.95 1uf3 n GLU 120 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1uf3 n GLU 120 Cb 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.44 1uf3 n GLU 120 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uf3 n GLY 121 N 0.00 -1.74 3.86 0.62 0.00 -1.26 -4.49 105.19 102.18 1uf3 n GLY 121 Ca 0.00 -1.97 -0.36 0.00 0.00 0.00 0.00 46.02 43.69 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 0.00 3.39 0.60 1.61 0.41 -1.26 -4.68 118.70 118.76 1uf3 s GLU 122 Ca 0.00 -0.19 -0.19 0.00 -0.41 0.00 0.00 54.97 54.19 1uf3 s GLU 122 Cb 0.00 -3.14 -0.03 0.00 -1.78 0.00 0.00 34.13 29.18 1uf3 s GLU 122 CO 0.00 0.76 1.19 -2.14 -0.49 0.00 0.00 175.26 174.58 1uf3 s PRO 123 N -1.14 2.98 -0.08 0.39 0.02 -1.26 -4.78 135.00 131.13 1uf3 s PRO 123 Ca 0.16 1.78 -0.06 0.00 0.02 0.00 0.00 61.00 62.91 1uf3 s PRO 123 Cb -0.12 -1.94 0.03 0.00 0.02 0.00 0.00 34.50 32.50 1uf3 s PRO 123 CO 0.06 -1.19 0.20 -2.00 -0.33 0.00 0.00 177.00 173.74 1uf3 s GLU 124 N -3.38 0.19 0.00 5.54 2.56 -0.44 -4.98 118.70 118.20 1uf3 s GLU 124 Ca 0.76 0.37 0.00 0.00 0.00 0.00 0.00 54.97 56.10 1uf3 s GLU 124 Cb -0.29 -0.01 0.00 0.00 2.00 0.00 0.00 34.13 35.82 1uf3 s GLU 124 CO 0.33 -0.09 0.31 0.39 -0.56 0.00 0.00 175.26 175.63 1uf3 n GLU 125 N 3.59 0.09 -0.09 4.30 1.02 -1.06 -0.81 120.64 127.69 1uf3 n GLU 125 Ca -0.19 -0.35 -0.18 0.00 -0.02 0.00 0.00 57.16 56.41 1uf3 n GLU 125 Cb 0.56 -0.64 -0.06 0.00 -0.02 0.00 0.00 31.44 31.28 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 -0.05 0.00 0.15 -0.32 8.25 -1.26 -0.78 115.22 121.22 1uf3 n HIS 126 Ca 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.52 1uf3 n HIS 126 Cb 0.26 -0.62 0.06 0.00 1.12 0.00 0.00 29.99 30.82 1uf3 n HIS 126 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1uf3 h GLU 127 N -0.64 0.00 -2.58 -0.41 5.08 -1.94 -3.25 114.58 110.84 1uf3 h GLU 127 Ca -0.42 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.08 1uf3 h GLU 127 Cb 1.34 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 1uf3 h GLU 127 CO -0.25 0.29 0.55 0.00 -1.00 0.00 0.00 179.01 178.59 1uf3 s ALA 128 N -3.06 -1.50 -0.27 3.43 0.00 -1.26 -4.90 121.76 114.19 1uf3 s ALA 128 Ca 0.04 -0.36 -0.03 0.00 0.00 0.00 0.00 51.96 51.60 1uf3 s ALA 128 Cb 0.07 0.75 0.03 0.00 0.00 0.00 0.00 23.12 23.97 1uf3 s ALA 128 CO 0.73 -1.06 -0.01 -0.51 0.00 0.00 0.00 175.76 174.92 1uf3 s LEU 129 N -3.35 3.55 -0.08 0.00 1.43 -0.59 -2.55 118.68 117.09 1uf3 s LEU 129 Ca 0.21 -0.93 -0.03 0.00 -1.03 0.00 0.00 54.13 52.34 1uf3 s LEU 129 Cb -0.03 -1.73 0.04 0.00 0.03 0.00 0.00 46.19 44.50 1uf3 s LEU 129 CO 0.06 -0.18 0.17 -0.60 0.23 0.00 0.00 176.35 176.03 1uf3 s ARG 130 N 1.35 0.12 -0.01 1.70 3.52 0.01 -1.04 118.95 124.60 1uf3 s ARG 130 Ca -0.01 0.42 0.03 0.00 -0.13 0.00 0.00 55.73 56.05 1uf3 s ARG 130 Cb -0.18 -0.17 -0.01 0.00 -1.56 0.00 0.00 34.95 33.04 1uf3 s ARG 130 CO -0.02 -0.17 -0.11 0.71 -0.81 0.00 0.00 175.30 174.90 1uf3 s TYR 131 N 1.27 0.97 0.51 5.12 1.51 0.59 -1.32 117.35 126.00 1uf3 s TYR 131 Ca -0.09 -0.19 -0.19 0.00 -1.01 0.00 0.00 57.07 55.59 1uf3 s TYR 131 Cb -0.11 -0.63 -0.07 0.00 -0.11 0.00 0.00 41.96 41.03 1uf3 s TYR 131 CO -0.07 -0.03 1.06 -1.25 -1.11 0.00 0.00 175.55 174.16 1uf3 s PRO 132 N -0.20 3.63 0.29 -1.71 0.04 -1.26 -0.29 135.00 135.49 1uf3 s PRO 132 Ca 0.03 1.40 0.01 0.00 0.04 0.00 0.00 61.00 62.49 1uf3 s PRO 132 Cb -0.05 -2.06 0.71 0.00 0.04 0.00 0.00 34.50 33.14 1uf3 s PRO 132 CO -0.00 -0.58 1.62 0.00 0.04 0.00 0.00 177.00 178.07 1uf3 h ALA 133 N 1.33 1.21 -0.38 8.56 0.00 -0.63 0.19 119.26 129.53 1uf3 h ALA 133 Ca -0.49 0.27 0.11 0.00 0.00 0.00 0.00 54.91 54.80 1uf3 h ALA 133 Cb 1.23 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 1uf3 h ALA 133 CO 0.58 -0.52 0.29 0.11 0.00 0.00 0.00 179.25 179.71 1uf3 h TRP 134 N 0.11 0.00 -0.09 0.00 5.08 -1.88 -0.11 115.95 119.07 1uf3 h TRP 134 Ca 0.56 0.00 -0.20 0.00 1.08 0.00 0.00 58.89 60.33 1uf3 h TRP 134 Cb 1.15 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 27.32 1uf3 h TRP 134 CO -0.35 0.00 -0.74 0.28 -1.28 0.00 0.00 178.44 176.34 1uf3 h VAL 135 N 0.00 1.32 -0.68 0.12 2.07 -0.97 -0.46 116.25 117.65 1uf3 h VAL 135 Ca 0.18 -2.01 -0.03 0.00 0.82 0.00 0.00 66.70 65.66 1uf3 h VAL 135 Cb 0.75 2.20 -0.03 0.00 -1.52 0.00 0.00 31.29 32.69 1uf3 h VAL 135 CO -0.00 0.62 0.29 0.00 0.02 0.00 0.00 177.57 178.49 1uf3 h ALA 136 N 0.47 0.88 -0.55 1.67 0.00 -1.04 -1.10 119.26 119.58 1uf3 h ALA 136 Ca -0.07 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1uf3 h ALA 136 Cb 1.39 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1uf3 h ALA 136 CO 0.15 0.48 -0.01 1.49 0.00 0.00 0.00 179.25 181.36 1uf3 h GLU 137 N 0.95 0.98 -0.56 0.00 4.81 -1.06 -2.09 114.58 117.61 1uf3 h GLU 137 Ca 0.23 -0.32 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1uf3 h GLU 137 Cb 0.18 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1uf3 h GLU 137 CO -0.02 0.99 0.27 -0.92 -0.73 0.00 0.00 179.01 178.60 1uf3 h TYR 138 N 0.86 0.78 -0.33 0.92 3.20 -0.67 -1.21 116.97 120.52 1uf3 h TYR 138 Ca 0.16 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.94 1uf3 h TYR 138 Cb 0.55 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 1uf3 h TYR 138 CO 0.04 0.57 -0.06 0.00 -1.64 0.00 0.00 178.16 177.07 1uf3 h ARG 139 N 0.79 0.62 0.00 1.82 2.47 -0.85 -3.21 114.38 116.03 1uf3 h ARG 139 Ca 0.20 -0.23 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1uf3 h ARG 139 Cb 0.08 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 1uf3 h ARG 139 CO -0.03 0.79 0.00 -0.07 0.56 0.00 0.00 179.97 181.22 1uf3 h LEU 140 N 0.41 0.00 -1.82 3.04 3.38 -0.97 -3.21 115.31 116.13 1uf3 h LEU 140 Ca 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1uf3 h LEU 140 Cb 0.55 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1uf3 h LEU 140 CO 0.03 0.00 -0.02 0.07 0.09 0.00 0.00 178.44 178.61 1uf3 h LYS 141 N 0.00 0.00 0.00 1.13 2.10 -1.23 -2.35 116.57 116.23 1uf3 h LYS 141 Ca 0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1uf3 h LYS 141 Cb 0.70 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.03 1uf3 h LYS 141 CO 0.00 0.02 -0.01 0.00 -2.00 0.00 0.00 179.45 177.46 1uf3 h ALA 142 N 1.98 1.57 0.00 0.07 0.00 -1.72 -2.56 119.26 118.60 1uf3 h ALA 142 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1uf3 h ALA 142 Cb 0.40 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1uf3 h ALA 142 CO 0.00 0.02 -0.10 -0.07 0.00 0.00 0.00 179.25 179.10 1uf3 h LEU 143 N 0.00 0.00 -2.34 0.00 3.38 -1.66 -2.95 115.31 111.73 1uf3 h LEU 143 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1uf3 h LEU 143 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1uf3 h LEU 143 CO 0.00 0.10 0.00 -0.50 0.09 0.00 0.00 178.44 178.13 1uf3 h TRP 144 N 0.00 0.00 0.00 1.13 -0.00 -1.65 -0.20 115.95 115.23 1uf3 h TRP 144 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.89 58.83 1uf3 h TRP 144 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.69 1uf3 h TRP 144 CO 0.00 0.00 -0.28 0.93 -0.00 0.00 0.00 178.44 179.09 1uf3 h GLU 145 N 0.00 0.00 -5.50 0.49 4.39 -1.73 -3.42 114.58 108.81 1uf3 h GLU 145 Ca 0.00 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 59.09 1uf3 h GLU 145 Cb 0.12 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 28.66 1uf3 h GLU 145 CO 0.00 0.28 0.15 -0.51 -1.16 0.00 0.00 179.01 177.77 1uf3 s LEU 146 N -6.60 4.10 -0.01 1.33 1.43 -0.09 -5.04 118.68 113.80 1uf3 s LEU 146 Ca 0.02 0.56 -0.18 0.00 -1.03 0.00 0.00 54.13 53.50 1uf3 s LEU 146 Cb 0.09 -2.83 -0.06 0.00 0.03 0.00 0.00 46.19 43.42 1uf3 s LEU 146 CO 0.67 -0.43 0.50 -0.54 0.23 0.00 0.00 176.35 176.78 1uf3 s LYS 147 N 2.56 4.16 -1.46 1.70 -0.14 -1.26 -4.59 119.74 120.71 1uf3 s LYS 147 Ca 0.26 0.56 -0.08 0.00 -1.36 0.00 0.00 55.97 55.35 1uf3 s LYS 147 Cb -0.15 -3.30 0.02 0.00 -1.68 0.00 0.00 37.83 32.72 1uf3 s LYS 147 CO 0.10 0.49 0.90 -0.25 -0.76 0.00 0.00 175.35 175.83 1uf3 n ASP 148 N 2.39 -6.05 -4.43 2.83 8.00 -1.26 -5.01 116.55 113.02 1uf3 n ASP 148 Ca -0.10 -0.45 -0.33 0.00 0.71 0.00 0.00 54.79 54.62 1uf3 n ASP 148 Cb 0.51 -4.82 -0.14 0.00 -0.02 0.00 0.00 41.12 36.66 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 -3.24 2.82 0.27 1.24 1.51 -1.26 -5.08 117.35 113.61 1uf3 s TYR 149 Ca 0.47 -0.44 -0.30 0.00 -1.01 0.00 0.00 57.07 55.80 1uf3 s TYR 149 Cb -0.21 -1.80 -0.10 0.00 -0.11 0.00 0.00 41.96 39.74 1uf3 s TYR 149 CO 0.58 -0.06 1.40 -2.14 -1.11 0.00 0.00 175.55 174.22 1uf3 s PRO 150 N 0.01 4.29 -0.00 -1.71 0.02 -1.26 -4.78 135.00 131.57 1uf3 s PRO 150 Ca -0.03 2.28 -0.01 0.00 0.02 0.00 0.00 61.00 63.26 1uf3 s PRO 150 Cb -0.14 -3.10 -0.04 0.00 0.02 0.00 0.00 34.50 31.24 1uf3 s PRO 150 CO 0.04 -0.36 0.10 0.15 -0.33 0.00 0.00 177.00 176.60 1uf3 s LYS 151 N -0.81 3.13 -0.17 5.54 1.02 -1.26 -1.12 119.74 126.07 1uf3 s LYS 151 Ca 0.56 -0.46 0.00 0.00 0.02 0.00 0.00 55.97 56.09 1uf3 s LYS 151 Cb -0.41 -2.90 0.03 0.00 -0.52 0.00 0.00 37.83 34.03 1uf3 s LYS 151 CO 0.46 0.65 -0.11 0.42 -0.92 0.00 0.00 175.35 175.85 1uf3 s ILE 152 N -1.23 1.51 -0.02 2.17 1.01 0.15 -0.30 121.20 124.49 1uf3 s ILE 152 Ca 0.24 -0.75 -0.00 0.00 0.00 0.00 0.00 60.65 60.14 1uf3 s ILE 152 Cb -0.12 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 1uf3 s ILE 152 CO 0.15 0.30 0.04 -0.36 0.00 0.00 0.00 174.94 175.07 1uf3 s PHE 153 N 1.48 3.19 -0.15 3.97 0.08 -0.42 -0.93 117.98 125.19 1uf3 s PHE 153 Ca 0.02 0.16 0.01 0.00 0.12 0.00 0.00 56.93 57.24 1uf3 s PHE 153 Cb -0.14 -1.72 0.02 0.00 -0.57 0.00 0.00 43.02 40.60 1uf3 s PHE 153 CO -0.09 0.51 -0.18 -0.51 -0.10 0.00 0.00 175.22 174.85 1uf3 s LEU 154 N -1.49 1.92 0.09 -0.37 1.02 0.00 -1.21 118.68 118.64 1uf3 s LEU 154 Ca 0.20 -0.56 0.03 0.00 0.02 0.00 0.00 54.13 53.82 1uf3 s LEU 154 Cb -0.12 -1.32 -0.04 0.00 0.02 0.00 0.00 46.19 44.74 1uf3 s LEU 154 CO 0.10 -0.00 -0.08 -0.36 0.02 0.00 0.00 176.35 176.03 1uf3 s PHE 155 N 1.23 0.93 -0.17 0.29 2.99 -0.58 -1.69 117.98 120.99 1uf3 s PHE 155 Ca 0.01 -0.75 -0.17 0.00 0.00 0.00 0.00 56.93 56.03 1uf3 s PHE 155 Cb -0.14 -0.52 -0.22 0.00 0.00 0.00 0.00 43.02 42.14 1uf3 s PHE 155 CO -0.09 -0.08 0.32 1.25 -0.00 0.00 0.00 175.22 176.62 1uf3 h HIS 156 N 3.42 0.20 -0.65 0.36 -0.00 -1.76 -3.17 115.15 113.55 1uf3 h HIS 156 Ca -0.36 -0.15 0.00 0.00 -0.00 0.00 0.00 60.37 59.86 1uf3 h HIS 156 Cb 1.18 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.58 1uf3 h HIS 156 CO 0.62 1.58 0.00 2.41 -0.00 0.00 0.00 177.93 182.53 1uf3 n THR 157 N -4.09 0.00 -4.29 6.26 -1.04 -1.26 -2.53 114.28 107.32 1uf3 n THR 157 Ca -0.31 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.51 1uf3 n THR 157 Cb 0.81 -0.82 -0.11 0.00 -1.82 0.00 0.00 70.33 68.39 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 -0.72 1.17 0.12 -2.82 0.04 -1.26 -4.87 135.00 126.65 1uf3 s PRO 159 Ca 0.00 -1.38 -0.31 0.00 0.04 0.00 0.00 61.00 59.35 1uf3 s PRO 159 Cb 0.00 -1.08 -0.08 0.00 0.04 0.00 0.00 34.50 33.38 1uf3 s PRO 159 CO 0.00 0.20 1.37 -0.47 0.04 0.00 0.00 177.00 178.15 1uf3 s TYR 160 N -2.33 3.26 -0.30 0.56 5.04 0.14 -4.27 117.35 119.45 1uf3 s TYR 160 Ca 0.14 0.99 -0.08 0.00 -2.44 0.00 0.00 57.07 55.68 1uf3 s TYR 160 Cb -0.04 -3.66 0.15 0.00 0.35 0.00 0.00 41.96 38.76 1uf3 s TYR 160 CO 0.05 -2.29 0.68 -1.58 -1.34 0.00 0.00 175.55 171.07 1uf3 s HIS 161 N 1.04 -1.33 0.59 4.97 2.46 -1.02 -4.80 115.29 117.19 1uf3 s HIS 161 Ca 0.64 2.06 0.29 0.00 0.47 0.00 0.00 55.06 58.52 1uf3 s HIS 161 Cb -0.36 0.71 1.45 0.00 -0.13 0.00 0.00 32.58 34.24 1uf3 s HIS 161 CO 0.31 -0.68 1.86 0.87 -2.47 0.00 0.00 174.74 174.63 1uf3 h LYS 162 N 7.96 0.00 0.00 2.88 1.57 -1.94 0.17 116.57 127.21 1uf3 h LYS 162 Ca -0.19 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.52 1uf3 h LYS 162 Cb 1.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 1uf3 h LYS 162 CO 0.13 0.00 -0.43 0.78 -0.57 0.00 0.00 179.45 179.36 1uf3 h GLY 163 N 0.00 0.00 0.74 3.86 0.00 -1.99 -3.43 103.07 102.24 1uf3 h GLY 163 Ca 0.24 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.33 1uf3 h GLY 163 CO -0.00 0.00 -1.12 1.41 0.00 0.00 0.00 176.54 176.83 1uf3 h LEU 164 N -1.00 0.50 -6.00 3.11 3.38 -1.74 -3.47 115.31 110.10 1uf3 h LEU 164 Ca -0.11 -0.92 0.13 0.00 0.09 0.00 0.00 57.88 57.07 1uf3 h LEU 164 Cb 0.96 -0.16 -0.20 0.00 0.09 0.00 0.00 40.66 41.35 1uf3 h LEU 164 CO -0.07 1.52 -0.19 0.21 0.09 0.00 0.00 178.44 180.00 1uf3 s ASN 165 N -7.09 -1.02 0.49 -0.43 3.84 0.51 -4.99 114.94 106.24 1uf3 s ASN 165 Ca -0.15 0.15 0.31 0.00 0.21 0.00 0.00 52.86 53.39 1uf3 s ASN 165 Cb 0.02 1.66 1.71 0.00 -0.55 0.00 0.00 41.25 44.10 1uf3 s ASN 165 CO 0.83 -0.19 1.96 -0.08 -2.79 0.00 0.00 177.10 176.83 1uf3 h GLU 166 N 7.66 0.00 -0.35 0.43 4.57 -1.82 0.44 114.58 125.51 1uf3 h GLU 166 Ca -0.06 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1uf3 h GLU 166 Cb 1.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1uf3 h GLU 166 CO 0.03 0.00 0.00 1.04 -1.18 0.00 0.00 179.01 178.90 1uf3 n GLN 167 N -2.63 3.29 -1.53 1.92 1.13 -1.26 -4.86 117.38 113.45 1uf3 n GLN 167 Ca -0.02 -2.80 -0.29 0.00 -1.94 0.00 0.00 57.00 51.95 1uf3 n GLN 167 Cb 0.08 -1.84 0.18 0.00 0.11 0.00 0.00 30.24 28.77 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 -1.56 1.64 0.00 1.08 0.00 0.12 -4.96 107.32 103.63 1uf3 s GLY 168 Ca 0.42 -0.84 -0.30 0.00 0.00 0.00 0.00 44.72 44.01 1uf3 s GLY 168 CO 0.12 -0.13 0.96 -0.45 0.00 0.00 0.00 173.10 173.60 1uf3 s SER 169 N -4.25 7.35 0.21 1.64 0.15 -1.26 -3.94 113.70 113.60 1uf3 s SER 169 Ca 0.69 1.64 0.07 0.00 0.70 0.00 0.00 55.95 59.05 1uf3 s SER 169 Cb -0.10 -2.56 0.12 0.00 -1.71 0.00 0.00 66.02 61.76 1uf3 s SER 169 CO 0.54 -0.24 1.47 0.45 1.20 0.00 0.00 173.24 176.65 1uf3 h HIS 170 N 6.75 0.08 -0.35 3.44 3.86 -1.93 0.41 115.15 127.40 1uf3 h HIS 170 Ca -0.41 -0.04 -0.06 0.00 -1.16 0.00 0.00 60.37 58.70 1uf3 h HIS 170 Cb 1.22 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.67 1uf3 h HIS 170 CO 0.68 0.81 -0.01 0.93 0.86 0.00 0.00 177.93 181.19 1uf3 h GLU 171 N 0.03 0.63 -0.69 2.45 3.07 -1.98 0.85 114.58 118.95 1uf3 h GLU 171 Ca -0.02 -0.21 -0.06 0.00 -0.50 0.00 0.00 59.36 58.58 1uf3 h GLU 171 Cb 1.37 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 29.20 1uf3 h GLU 171 CO 0.11 0.75 0.20 0.28 -1.40 0.00 0.00 179.01 178.95 1uf3 h VAL 172 N 0.44 1.26 -0.95 3.13 2.07 -1.94 -0.19 116.25 120.07 1uf3 h VAL 172 Ca 0.10 -0.91 0.03 0.00 0.82 0.00 0.00 66.70 66.74 1uf3 h VAL 172 Cb 0.48 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 1uf3 h VAL 172 CO 0.02 0.35 0.62 0.00 0.02 0.00 0.00 177.57 178.58 1uf3 h ALA 173 N 1.09 1.23 -0.56 1.67 0.00 -1.26 -0.96 119.26 120.48 1uf3 h ALA 173 Ca 0.22 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1uf3 h ALA 173 Cb 0.32 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1uf3 h ALA 173 CO -0.00 0.53 0.15 1.25 0.00 0.00 0.00 179.25 181.17 1uf3 h HIS 174 N 1.23 0.88 -0.41 0.00 6.17 0.17 0.40 115.15 123.60 1uf3 h HIS 174 Ca 0.37 -0.08 -0.15 0.00 0.71 0.00 0.00 60.37 61.21 1uf3 h HIS 174 Cb -0.05 -0.26 -0.01 0.00 2.52 0.00 0.00 27.41 29.61 1uf3 h HIS 174 CO -0.01 0.73 -0.34 -0.07 0.71 0.00 0.00 177.93 178.95 1uf3 h LEU 175 N 0.83 1.00 -0.59 0.26 3.38 -0.30 -0.21 115.31 119.67 1uf3 h LEU 175 Ca 0.18 -0.43 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 1uf3 h LEU 175 Cb 0.29 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1uf3 h LEU 175 CO -0.00 1.23 0.09 0.40 0.09 0.00 0.00 178.44 180.24 1uf3 h ILE 176 N 0.78 1.26 -0.18 1.22 2.04 -0.75 -1.01 117.51 120.88 1uf3 h ILE 176 Ca 0.07 -1.01 -0.09 0.00 1.00 0.00 0.00 64.86 64.84 1uf3 h ILE 176 Cb 0.93 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1uf3 h ILE 176 CO 0.09 0.37 -0.28 0.11 0.00 0.00 0.00 178.15 178.43 1uf3 h LYS 177 N 0.89 0.34 -0.05 2.37 1.57 -0.65 0.35 116.57 121.39 1uf3 h LYS 177 Ca 0.18 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 1uf3 h LYS 177 Cb 0.44 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1uf3 h LYS 177 CO 0.01 0.60 -0.32 1.15 -0.57 0.00 0.00 179.45 180.33 1uf3 h THR 178 N 0.30 1.45 0.00 -0.16 2.02 -0.77 -3.33 112.91 112.42 1uf3 h THR 178 Ca 0.04 -1.78 0.00 0.00 0.77 0.00 0.00 66.41 65.44 1uf3 h THR 178 Cb 0.66 2.44 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 1uf3 h THR 178 CO 0.05 0.51 -0.37 0.45 0.37 0.00 0.00 175.52 176.53 1uf3 h HIS 179 N -0.24 0.00 -6.58 3.16 3.86 -1.17 -3.48 115.15 110.70 1uf3 h HIS 179 Ca -0.03 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.67 1uf3 h HIS 179 Cb 0.99 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.39 1uf3 h HIS 179 CO 0.14 0.00 -0.90 0.09 0.86 0.00 0.00 177.93 178.12 1uf3 n ASN 180 N -2.30 -0.36 -4.74 2.45 3.02 0.11 -4.90 115.26 108.54 1uf3 n ASN 180 Ca 0.04 -1.05 -0.33 0.00 -0.03 0.00 0.00 54.58 53.21 1uf3 n ASN 180 Cb 0.45 -2.84 0.08 0.00 -0.61 0.00 0.00 39.78 36.87 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 -6.66 2.34 0.05 3.52 0.04 -1.26 -4.78 135.00 128.25 1uf3 s PRO 181 Ca 0.03 1.54 -0.17 0.00 0.04 0.00 0.00 61.00 62.43 1uf3 s PRO 181 Cb -0.01 -1.88 -0.16 0.00 0.04 0.00 0.00 34.50 32.49 1uf3 s PRO 181 CO 0.90 -1.63 1.27 1.25 0.04 0.00 0.00 177.00 178.83 1uf3 h LEU 182 N -0.34 0.63 -8.01 -3.56 5.85 -0.97 -3.36 115.31 105.55 1uf3 h LEU 182 Ca -0.47 -0.61 -0.33 0.00 0.84 0.00 0.00 57.88 57.32 1uf3 h LEU 182 Cb 1.27 -0.19 -0.26 0.00 0.37 0.00 0.00 40.66 41.85 1uf3 h LEU 182 CO 0.51 1.13 -0.76 -0.22 -0.34 0.00 0.00 178.44 178.77 1uf3 s LEU 183 N -8.67 2.08 -0.08 2.25 2.96 -1.09 -2.14 118.68 113.99 1uf3 s LEU 183 Ca -0.13 -0.24 -0.00 0.00 -0.22 0.00 0.00 54.13 53.54 1uf3 s LEU 183 Cb 0.06 -0.29 0.02 0.00 0.50 0.00 0.00 46.19 46.48 1uf3 s LEU 183 CO 0.82 0.00 -0.04 -0.69 -1.32 0.00 0.00 176.35 175.13 1uf3 s VAL 184 N -0.48 0.69 -0.14 1.68 1.01 0.26 -1.31 120.40 122.11 1uf3 s VAL 184 Ca -0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 61.83 1uf3 s VAL 184 Cb -0.05 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 1uf3 s VAL 184 CO 0.00 0.30 -0.00 -0.76 0.00 0.00 0.00 175.10 174.64 1uf3 s LEU 185 N 1.65 3.48 0.12 3.92 1.43 -0.35 -0.23 118.68 128.71 1uf3 s LEU 185 Ca 0.02 0.00 0.04 0.00 -1.03 0.00 0.00 54.13 53.16 1uf3 s LEU 185 Cb -0.13 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 1uf3 s LEU 185 CO -0.05 0.23 -0.09 0.68 0.23 0.00 0.00 176.35 177.35 1uf3 s VAL 186 N -0.01 1.00 0.48 -1.59 -7.23 -0.39 -1.53 120.40 111.14 1uf3 s VAL 186 Ca 0.03 -1.95 -0.22 0.00 -1.81 0.00 0.00 61.98 58.03 1uf3 s VAL 186 Cb -0.13 -1.72 -0.08 0.00 0.56 0.00 0.00 36.38 35.02 1uf3 s VAL 186 CO 0.02 -0.75 1.10 0.00 -0.31 0.00 0.00 175.10 175.17 1uf3 s ALA 187 N -3.24 2.90 0.00 1.32 0.00 -1.05 -4.08 121.76 117.60 1uf3 s ALA 187 Ca 0.13 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1uf3 s ALA 187 Cb 0.02 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1uf3 s ALA 187 CO -0.01 -0.52 0.00 0.41 0.00 0.00 0.00 175.76 175.64 1uf3 n GLY 188 N 0.18 2.73 3.87 0.00 0.00 -1.26 -4.93 105.19 105.78 1uf3 n GLY 188 Ca 0.08 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.00 3.61 0.00 1.61 1.02 -1.26 -2.58 119.74 120.15 1uf3 s LYS 189 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 55.97 56.03 1uf3 s LYS 189 Cb 0.00 -3.16 0.00 0.00 -0.52 0.00 0.00 37.83 34.15 1uf3 s LYS 189 CO 0.00 0.72 0.00 0.41 -0.92 0.00 0.00 175.35 175.56 1uf3 n GLY 190 N 1.68 -1.72 3.74 -3.33 0.00 -1.26 -4.92 105.19 99.37 1uf3 n GLY 190 Ca -0.16 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 1uf3 n GLY 190 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1uf3 s GLN 191 N -1.14 4.21 0.02 1.61 1.11 -1.26 -4.63 119.66 119.58 1uf3 s GLN 191 Ca 0.00 2.39 -0.29 0.00 0.01 0.00 0.00 55.36 57.47 1uf3 s GLN 191 Cb 0.00 -3.10 0.10 0.00 -1.01 0.00 0.00 33.01 29.00 1uf3 s GLN 191 CO 0.00 -0.53 1.08 -1.59 0.01 0.00 0.00 175.29 174.27 1uf3 s LYS 192 N 0.01 0.75 0.04 2.91 0.00 -0.66 -5.00 119.74 117.78 1uf3 s LYS 192 Ca 0.63 -0.38 -0.25 0.00 0.00 0.00 0.00 55.97 55.97 1uf3 s LYS 192 Cb -0.44 0.28 0.06 0.00 0.00 0.00 0.00 37.83 37.73 1uf3 s LYS 192 CO 0.41 -0.34 0.60 -3.38 0.00 0.00 0.00 175.35 172.64 1uf3 s HIS 193 N -2.86 -0.53 0.00 1.78 -3.43 -1.26 -0.69 115.29 108.30 1uf3 s HIS 193 Ca 0.11 0.65 0.00 0.00 -0.80 0.00 0.00 55.06 55.02 1uf3 s HIS 193 Cb 0.01 0.42 0.00 0.00 -1.43 0.00 0.00 32.58 31.58 1uf3 s HIS 193 CO -0.03 -0.69 0.00 0.39 -2.00 0.00 0.00 174.74 172.41 1uf3 n GLU 194 N 0.36 0.00 -2.82 -0.38 -0.58 -0.43 -5.01 120.64 111.79 1uf3 n GLU 194 Ca -0.18 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.59 1uf3 n GLU 194 Cb 0.60 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 31.48 1uf3 n GLU 194 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1uf3 s LEU 196 N 0.00 -0.02 0.00 -4.62 0.20 0.50 -0.66 118.68 114.07 1uf3 s LEU 196 Ca 0.00 -0.01 0.00 0.00 0.69 0.00 0.00 54.13 54.81 1uf3 s LEU 196 Cb 0.00 0.34 0.00 0.00 -0.43 0.00 0.00 46.19 46.10 1uf3 s LEU 196 CO 0.00 -0.00 0.00 0.61 -0.29 0.00 0.00 176.35 176.67 1uf3 n GLY 197 N 3.99 1.79 0.54 7.98 0.00 -1.26 -1.54 105.19 116.69 1uf3 n GLY 197 Ca 0.06 -0.47 0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 10.40 2.53 -2.70 4.61 0.00 -1.26 -4.88 120.51 129.21 1uf3 n ALA 198 Ca 0.00 -0.51 -0.37 0.00 0.00 0.00 0.00 53.44 52.56 1uf3 n ALA 198 Cb 0.00 -1.10 -0.07 0.00 0.00 0.00 0.00 19.45 18.29 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 -1.63 6.53 -0.39 0.00 0.01 -0.59 -4.80 113.70 112.84 1uf3 s SER 199 Ca 0.33 0.62 -0.22 0.00 1.31 0.00 0.00 55.95 57.99 1uf3 s SER 199 Cb 0.18 -2.20 0.01 0.00 0.21 0.00 0.00 66.02 64.22 1uf3 s SER 199 CO 0.27 0.15 0.71 0.86 0.41 0.00 0.00 173.24 175.64 1uf3 s TRP 200 N 0.12 3.10 -0.25 2.43 -0.00 -0.91 -0.37 118.94 123.06 1uf3 s TRP 200 Ca 0.19 0.34 -0.09 0.00 -0.00 0.00 0.00 56.10 56.54 1uf3 s TRP 200 Cb -0.14 -3.35 -0.04 0.00 -0.00 0.00 0.00 33.47 29.94 1uf3 s TRP 200 CO 0.06 -0.76 0.11 0.08 -0.00 0.00 0.00 176.95 176.44 1uf3 s VAL 201 N 2.96 4.74 -0.07 5.86 1.01 0.16 -0.57 120.40 134.50 1uf3 s VAL 201 Ca 0.28 -0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.28 1uf3 s VAL 201 Cb -0.14 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 1uf3 s VAL 201 CO 0.17 0.33 -0.23 -0.69 0.00 0.00 0.00 175.10 174.68 1uf3 s VAL 202 N 1.43 2.21 -0.44 2.92 1.01 0.69 -1.32 120.40 126.90 1uf3 s VAL 202 Ca 0.06 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 60.96 1uf3 s VAL 202 Cb -0.15 -1.82 0.11 0.00 0.00 0.00 0.00 36.38 34.52 1uf3 s VAL 202 CO 0.05 0.57 0.29 -0.69 0.00 0.00 0.00 175.10 175.32 1uf3 s VAL 203 N -0.11 4.00 -0.18 2.92 1.01 0.14 -1.26 120.40 126.92 1uf3 s VAL 203 Ca -0.05 -1.76 0.29 0.00 0.00 0.00 0.00 61.98 60.46 1uf3 s VAL 203 Cb -0.14 -3.61 0.32 0.00 0.00 0.00 0.00 36.38 32.95 1uf3 s VAL 203 CO 0.04 -0.69 1.86 1.55 0.00 0.00 0.00 175.10 177.85 1uf3 h PRO 204 N 8.35 0.00 0.00 2.72 0.13 -1.82 -1.77 132.00 139.62 1uf3 h PRO 204 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 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 0.80 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.98 1uf3 n GLY 205 N 0.03 2.58 3.24 1.56 0.00 -1.24 -2.69 105.19 108.67 1uf3 n GLY 205 Ca 0.01 -2.12 -0.36 0.00 0.00 0.00 0.00 46.02 43.56 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 4.82 0.48 1.61 -1.08 -1.06 -1.28 116.67 120.16 1uf3 s ASP 206 Ca 0.00 -0.97 0.23 0.00 -0.52 0.00 0.00 52.55 51.30 1uf3 s ASP 206 Cb 0.00 -1.76 1.24 0.00 -1.46 0.00 0.00 42.92 40.93 1uf3 s ASP 206 CO 0.00 -0.21 2.00 0.25 0.52 0.00 0.00 175.17 177.74 1uf3 h LEU 207 N 8.10 0.00 -2.23 -1.34 6.46 -1.06 0.30 115.31 125.54 1uf3 h LEU 207 Ca -0.28 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.47 1uf3 h LEU 207 Cb 1.10 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.03 1uf3 h LEU 207 CO 0.58 0.17 -0.04 0.77 -0.62 0.00 0.00 178.44 179.30 1uf3 h SER 208 N 0.00 0.00 -0.54 1.25 4.64 -1.73 0.39 113.55 117.55 1uf3 h SER 208 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1uf3 h SER 208 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1uf3 h SER 208 CO 0.02 0.04 0.00 -0.62 -0.87 0.00 0.00 176.83 175.40 1uf3 n GLU 209 N -3.33 2.64 -1.00 4.77 -0.58 -0.09 -4.95 120.64 118.12 1uf3 n GLU 209 Ca -0.02 -2.38 0.00 0.00 -0.42 0.00 0.00 57.16 54.34 1uf3 n GLU 209 Cb 0.18 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 1uf3 n GLU 209 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1uf3 n GLY 210 N 1.29 0.99 3.83 0.62 0.00 0.14 -4.95 105.19 107.10 1uf3 n GLY 210 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.00 4.17 0.24 1.61 2.02 -0.16 -1.29 118.70 125.28 1uf3 s GLU 211 Ca 0.00 0.88 -0.21 0.00 0.02 0.00 0.00 54.97 55.66 1uf3 s GLU 211 Cb 0.00 -2.51 0.03 0.00 0.10 0.00 0.00 34.13 31.75 1uf3 s GLU 211 CO 0.00 0.18 0.65 1.52 0.02 0.00 0.00 175.26 177.63 1uf3 s TYR 212 N -1.89 -0.24 0.06 1.61 -0.85 -0.88 -3.25 117.35 111.92 1uf3 s TYR 212 Ca 0.53 -0.14 0.02 0.00 -0.52 0.00 0.00 57.07 56.96 1uf3 s TYR 212 Cb -0.12 0.60 -0.03 0.00 0.38 0.00 0.00 41.96 42.78 1uf3 s TYR 212 CO 0.18 -1.08 -0.07 -1.12 -1.52 0.00 0.00 175.55 171.94 1uf3 s SER 213 N -2.88 0.94 -0.29 -0.18 0.01 -0.65 -1.95 113.70 108.70 1uf3 s SER 213 Ca 0.09 -0.74 0.02 0.00 1.31 0.00 0.00 55.95 56.62 1uf3 s SER 213 Cb -0.04 0.07 0.07 0.00 0.21 0.00 0.00 66.02 66.33 1uf3 s SER 213 CO 0.01 -0.32 -0.03 -0.22 0.41 0.00 0.00 173.24 173.08 1uf3 s LEU 214 N -2.20 3.91 0.10 2.44 2.96 -0.20 -0.78 118.68 124.91 1uf3 s LEU 214 Ca -0.01 -1.54 -0.24 0.00 -0.22 0.00 0.00 54.13 52.13 1uf3 s LEU 214 Cb -0.03 -1.62 -0.07 0.00 0.50 0.00 0.00 46.19 44.96 1uf3 s LEU 214 CO -0.02 -0.26 0.71 -0.76 -1.32 0.00 0.00 176.35 174.70 1uf3 s LEU 215 N 1.11 4.53 -0.56 -0.68 1.43 0.52 -1.04 118.68 123.99 1uf3 s LEU 215 Ca -0.03 1.48 -0.11 0.00 -1.03 0.00 0.00 54.13 54.43 1uf3 s LEU 215 Cb -0.20 -3.16 0.14 0.00 0.03 0.00 0.00 46.19 43.00 1uf3 s LEU 215 CO -0.04 0.17 0.46 -0.62 0.23 0.00 0.00 176.35 176.55 1uf3 s ASP 216 N -0.82 5.97 0.23 2.29 -1.08 0.84 -1.45 116.67 122.65 1uf3 s ASP 216 Ca 0.34 -2.08 -0.07 0.00 -0.52 0.00 0.00 52.55 50.22 1uf3 s ASP 216 Cb -0.21 -2.08 0.36 0.00 -1.46 0.00 0.00 42.92 39.52 1uf3 s ASP 216 CO 0.23 -0.69 1.73 -0.07 0.52 0.00 0.00 175.17 176.89 1uf3 h LEU 217 N 8.35 0.23 -0.97 -1.34 3.38 -1.31 0.23 115.31 123.87 1uf3 h LEU 217 Ca -0.17 0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1uf3 h LEU 217 Cb 1.06 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 1uf3 h LEU 217 CO 0.88 0.11 -0.17 0.03 0.09 0.00 0.00 178.44 179.39 1uf3 h ARG 218 N 0.42 0.55 -0.00 1.13 3.08 -1.94 -3.11 114.38 114.51 1uf3 h ARG 218 Ca 0.36 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1uf3 h ARG 218 Cb 0.49 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1uf3 h ARG 218 CO -0.36 0.70 -0.65 0.00 -1.07 0.00 0.00 179.97 178.59 1uf3 n ALA 219 N -2.48 3.95 -3.91 0.04 0.00 -0.91 -4.95 120.51 112.24 1uf3 n ALA 219 Ca 0.00 -0.48 -0.28 0.00 0.00 0.00 0.00 53.44 52.68 1uf3 n ALA 219 Cb 0.36 -0.96 0.02 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.23 -4.83 -4.35 0.00 1.74 0.77 -4.97 116.66 103.79 1uf3 n ARG 220 Ca 0.06 0.55 -0.26 0.00 -0.77 0.00 0.00 57.85 57.44 1uf3 n ARG 220 Cb 0.35 -5.25 -0.12 0.00 -1.02 0.00 0.00 32.46 26.42 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 -6.50 1.30 0.07 5.56 1.02 -1.12 -4.99 119.74 115.09 1uf3 s LYS 221 Ca 0.43 -1.31 0.09 0.00 0.02 0.00 0.00 55.97 55.20 1uf3 s LYS 221 Cb -0.22 -1.63 -0.03 0.00 -0.52 0.00 0.00 37.83 35.43 1uf3 s LYS 221 CO 0.85 0.37 -0.23 -0.51 -0.92 0.00 0.00 175.35 174.90 1uf3 s LEU 222 N -2.17 2.23 -0.07 3.17 1.43 -1.26 -0.11 118.68 121.90 1uf3 s LEU 222 Ca 0.12 -0.62 0.03 0.00 -1.03 0.00 0.00 54.13 52.63 1uf3 s LEU 222 Cb -0.09 -1.07 -0.02 0.00 0.03 0.00 0.00 46.19 45.04 1uf3 s LEU 222 CO 0.06 0.16 -0.13 -1.61 0.23 0.00 0.00 176.35 175.06 1uf3 s GLU 223 N -1.54 2.71 0.07 1.70 2.02 -0.21 -4.95 118.70 118.50 1uf3 s GLU 223 Ca 0.09 -0.68 0.01 0.00 0.02 0.00 0.00 54.97 54.41 1uf3 s GLU 223 Cb -0.10 -2.45 -0.04 0.00 0.10 0.00 0.00 34.13 31.65 1uf3 s GLU 223 CO 0.03 0.54 0.16 0.99 0.02 0.00 0.00 175.26 177.00 1uf3 s THR 224 N -0.50 5.07 0.26 3.63 2.01 -1.26 -1.03 115.64 123.81 1uf3 s THR 224 Ca 0.07 -0.54 -0.21 0.00 0.31 0.00 0.00 61.69 61.32 1uf3 s THR 224 Cb -0.12 -3.47 0.03 0.00 0.01 0.00 0.00 72.50 68.95 1uf3 s THR 224 CO 0.02 0.13 0.76 -0.83 -0.69 0.00 0.00 174.62 174.00 1uf3 s GLY 225 N -2.48 -0.10 -0.12 4.40 0.00 -0.82 -4.98 107.32 103.21 1uf3 s GLY 225 Ca 0.33 -0.26 -0.11 0.00 0.00 0.00 0.00 44.72 44.68 1uf3 s GLY 225 CO 0.26 -0.07 0.33 0.21 0.00 0.00 0.00 173.10 173.82 1uf3 s ASN 226 N -2.93 -0.35 -0.00 1.64 3.84 -1.26 -2.08 114.94 113.81 1uf3 s ASN 226 Ca 0.11 0.67 0.05 0.00 0.21 0.00 0.00 52.86 53.90 1uf3 s ASN 226 Cb -0.05 0.66 0.16 0.00 -0.55 0.00 0.00 41.25 41.47 1uf3 s ASN 226 CO 0.06 -0.12 1.12 1.33 -2.79 0.00 0.00 177.10 176.70 1uf3 n VAL 227 N 3.02 0.26 0.00 -5.21 0.24 -0.42 -5.01 118.33 111.22 1uf3 n VAL 227 Ca -0.14 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 1uf3 n VAL 227 Cb 0.57 0.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.04 1uf3 n VAL 227 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23