#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uf3 s VAL 5 N 0.00 3.70 0.00 12.58 1.01 0.07 -4.85 120.40 132.91 1uf3 s VAL 5 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 61.98 62.96 1uf3 s VAL 5 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1uf3 s VAL 5 CO 0.00 -0.04 0.00 -1.14 0.00 0.00 0.00 175.10 173.92 1uf3 n ARG 6 N 6.19 0.00 -3.87 2.72 0.63 -1.26 -4.94 116.66 116.13 1uf3 n ARG 6 Ca 0.15 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.72 1uf3 n ARG 6 Cb 0.43 -0.61 -0.10 0.00 0.45 0.00 0.00 32.46 32.63 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 -1.94 3.23 -0.21 -0.14 1.51 -1.26 -0.61 117.35 117.94 1uf3 s TYR 7 Ca 0.00 0.01 0.01 0.00 -1.01 0.00 0.00 57.07 56.08 1uf3 s TYR 7 Cb 0.00 -2.16 0.03 0.00 -0.11 0.00 0.00 41.96 39.72 1uf3 s TYR 7 CO 0.00 0.02 -0.16 0.42 -1.11 0.00 0.00 175.55 174.72 1uf3 s ILE 8 N 0.81 2.21 -0.03 2.71 1.01 -0.36 -0.57 121.20 126.99 1uf3 s ILE 8 Ca 0.05 -1.08 -0.29 0.00 0.00 0.00 0.00 60.65 59.32 1uf3 s ILE 8 Cb -0.13 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 1uf3 s ILE 8 CO 0.02 0.38 0.96 -0.22 0.00 0.00 0.00 174.94 176.09 1uf3 s LEU 9 N 1.26 4.34 0.04 2.97 2.96 -0.36 -0.13 118.68 129.77 1uf3 s LEU 9 Ca 0.02 1.60 -0.08 0.00 -0.22 0.00 0.00 54.13 55.44 1uf3 s LEU 9 Cb -0.15 -3.53 -0.00 0.00 0.50 0.00 0.00 46.19 43.01 1uf3 s LEU 9 CO -0.10 -0.29 0.17 0.00 -1.32 0.00 0.00 176.35 174.81 1uf3 s ALA 10 N 1.19 -0.27 0.23 5.97 0.00 0.15 -1.87 121.76 127.15 1uf3 s ALA 10 Ca 0.50 -0.38 -0.22 0.00 0.00 0.00 0.00 51.96 51.86 1uf3 s ALA 10 Cb -0.20 0.29 0.06 0.00 0.00 0.00 0.00 23.12 23.27 1uf3 s ALA 10 CO 0.25 -0.36 0.92 -0.08 0.00 0.00 0.00 175.76 176.49 1uf3 s THR 11 N -2.71 0.00 0.16 0.00 -1.32 -1.11 -0.41 115.64 110.25 1uf3 s THR 11 Ca -0.04 -0.76 -0.06 0.00 -1.21 0.00 0.00 61.69 59.63 1uf3 s THR 11 Cb -0.00 -2.46 -0.02 0.00 -1.51 0.00 0.00 72.50 68.51 1uf3 s THR 11 CO -0.05 0.00 0.21 -0.94 -2.21 0.00 0.00 174.62 171.63 1uf3 s SER 12 N -3.11 0.13 -1.15 8.08 1.04 -0.60 -2.34 113.70 115.75 1uf3 s SER 12 Ca 0.16 -1.03 -0.22 0.00 0.48 0.00 0.00 55.95 55.34 1uf3 s SER 12 Cb -0.03 0.39 -0.01 0.00 0.10 0.00 0.00 66.02 66.48 1uf3 s SER 12 CO 0.06 -0.85 0.78 -3.20 0.98 0.00 0.00 173.24 171.01 1uf3 n ASN 13 N -0.19 -5.16 0.00 7.02 5.15 -0.40 -0.43 115.26 121.26 1uf3 n ASN 13 Ca -0.06 -1.04 0.00 0.00 -0.60 0.00 0.00 54.58 52.89 1uf3 n ASN 13 Cb 0.63 -3.26 0.00 0.00 -0.53 0.00 0.00 39.78 36.63 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 -4.25 0.00 0.00 1.20 -0.02 -0.62 -2.74 135.00 128.57 1uf3 n PRO 14 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 1uf3 n PRO 14 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.07 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 0.54 0.00 3.57 -1.23 0.00 -0.73 -4.18 105.19 103.17 1uf3 n GLY 16 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.10 5.04 0.48 1.61 -1.08 -1.26 -4.75 116.67 116.60 1uf3 s ASP 17 Ca 0.00 -1.14 0.26 0.00 -0.52 0.00 0.00 52.55 51.15 1uf3 s ASP 17 Cb 0.00 -2.57 1.14 0.00 -1.46 0.00 0.00 42.92 40.03 1uf3 s ASP 17 CO 0.00 -2.96 1.92 -0.07 0.52 0.00 0.00 175.17 174.59 1uf3 h LEU 18 N 17.96 0.00 -0.25 -1.34 3.38 -1.98 -2.53 115.31 130.56 1uf3 h LEU 18 Ca 0.15 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 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 1.21 0.18 -0.24 -0.08 0.09 0.00 0.00 178.44 179.60 1uf3 h GLU 19 N 0.00 0.61 -0.31 1.13 4.81 -2.01 -2.41 114.58 116.40 1uf3 h GLU 19 Ca -0.00 -0.32 -0.06 0.00 -0.13 0.00 0.00 59.36 58.85 1uf3 h GLU 19 Cb 0.59 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 1uf3 h GLU 19 CO 0.02 0.91 -0.08 0.00 -0.73 0.00 0.00 179.01 179.14 1uf3 h ALA 20 N 0.68 1.29 0.15 2.92 0.00 -1.89 -2.58 119.26 119.83 1uf3 h ALA 20 Ca 0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1uf3 h ALA 20 Cb 0.80 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1uf3 h ALA 20 CO 0.06 0.47 -0.07 1.25 0.00 0.00 0.00 179.25 180.96 1uf3 h LEU 21 N 0.47 -0.17 -0.57 0.00 5.85 -1.22 0.46 115.31 120.13 1uf3 h LEU 21 Ca 0.09 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.86 1uf3 h LEU 21 Cb 0.43 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 1uf3 h LEU 21 CO 0.02 -0.12 0.31 -0.33 -0.34 0.00 0.00 178.44 177.98 1uf3 h GLU 22 N -0.20 0.59 -0.70 1.25 5.08 -1.31 0.69 114.58 119.98 1uf3 h GLU 22 Ca -0.02 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1uf3 h GLU 22 Cb 0.16 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1uf3 h GLU 22 CO 0.03 0.39 0.29 0.87 -1.00 0.00 0.00 179.01 179.59 1uf3 h LYS 23 N 0.60 1.02 0.43 2.33 1.57 -1.16 0.78 116.57 122.14 1uf3 h LYS 23 Ca 0.24 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1uf3 h LYS 23 Cb 0.11 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1uf3 h LYS 23 CO -0.15 0.83 -0.21 0.35 -0.57 0.00 0.00 179.45 179.71 1uf3 h PHE 24 N 1.01 -0.53 -0.31 -1.35 3.57 0.17 -2.73 116.94 116.77 1uf3 h PHE 24 Ca 0.24 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.75 1uf3 h PHE 24 Cb 0.18 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 1uf3 h PHE 24 CO 0.02 -0.30 0.13 0.28 -2.23 0.00 0.00 178.31 176.21 1uf3 h VAL 25 N -0.63 0.96 0.00 1.41 2.07 0.80 -1.67 116.25 119.19 1uf3 h VAL 25 Ca -0.06 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1uf3 h VAL 25 Cb 0.47 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1uf3 h VAL 25 CO 0.10 0.05 0.30 0.11 0.02 0.00 0.00 177.57 178.14 1uf3 h LYS 26 N 0.29 0.00 -0.00 1.57 1.79 0.68 -2.25 116.57 118.65 1uf3 h LYS 26 Ca 0.13 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.59 1uf3 h LYS 26 Cb 0.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 1uf3 h LYS 26 CO -0.11 0.00 -0.07 -0.07 -1.08 0.00 0.00 179.45 178.12 1uf3 h LEU 27 N 0.00 0.06 0.00 2.94 3.38 -0.98 -3.39 115.31 117.32 1uf3 h LEU 27 Ca 0.00 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.22 1uf3 h LEU 27 Cb 0.59 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1uf3 h LEU 27 CO 0.00 0.81 0.00 0.00 0.09 0.00 0.00 178.44 179.34 1uf3 n ALA 28 N -2.49 0.00 -0.14 1.53 0.00 -0.85 -0.22 120.51 118.34 1uf3 n ALA 28 Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.31 1uf3 n ALA 28 Cb 0.40 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.03 0.00 0.11 -1.80 -2.79 132.00 127.76 1uf3 h PRO 29 Ca 0.00 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.00 1uf3 h PRO 29 Cb 0.00 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 1uf3 h PRO 29 CO 0.00 0.18 -0.43 -0.44 -0.21 0.00 0.00 178.00 177.10 1uf3 h ASP 30 N 0.28 0.07 0.81 -2.05 5.19 -0.87 -3.11 116.42 116.74 1uf3 h ASP 30 Ca 0.21 -0.03 -0.09 0.00 -0.62 0.00 0.00 57.03 56.50 1uf3 h ASP 30 Cb 0.23 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 1uf3 h ASP 30 CO -0.24 0.49 -0.45 0.71 -3.12 0.00 0.00 179.24 176.64 1uf3 h THR 31 N 0.06 1.03 0.00 0.35 1.35 -1.34 -3.46 112.91 110.89 1uf3 h THR 31 Ca 0.00 -1.71 0.00 0.00 -0.55 0.00 0.00 66.41 64.15 1uf3 h THR 31 Cb 0.79 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 1uf3 h THR 31 CO 0.06 0.44 0.00 0.61 -0.25 0.00 0.00 175.52 176.38 1uf3 n GLY 32 N 0.28 0.73 3.65 5.82 0.00 -1.09 -5.02 105.19 109.56 1uf3 n GLY 32 Ca -0.00 -0.24 -0.45 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.53 0.65 0.00 4.61 0.00 -1.16 -4.77 120.51 119.31 1uf3 n ALA 33 Ca 0.00 0.42 0.11 0.00 0.00 0.00 0.00 53.44 53.96 1uf3 n ALA 33 Cb 0.00 -2.20 -0.15 0.00 0.00 0.00 0.00 19.45 17.10 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 1.92 0.12 -3.80 0.00 8.00 0.27 -4.94 116.55 118.12 1uf3 n ASP 34 Ca 0.11 0.05 -0.07 0.00 0.71 0.00 0.00 54.79 55.59 1uf3 n ASP 34 Cb 0.31 1.76 -0.02 0.00 -0.02 0.00 0.00 41.12 43.15 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 -3.48 -1.32 -0.02 2.24 0.00 -1.07 -4.24 121.76 113.88 1uf3 s ALA 35 Ca -0.07 -0.16 0.04 0.00 0.00 0.00 0.00 51.96 51.77 1uf3 s ALA 35 Cb 0.13 0.82 -0.01 0.00 0.00 0.00 0.00 23.12 24.07 1uf3 s ALA 35 CO 0.89 -1.01 -0.13 0.42 0.00 0.00 0.00 175.76 175.93 1uf3 s ILE 36 N -3.81 1.09 -0.04 0.00 1.01 -0.05 -1.22 121.20 118.18 1uf3 s ILE 36 Ca 0.10 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.22 1uf3 s ILE 36 Cb -0.05 -0.93 0.00 0.00 0.01 0.00 0.00 42.46 41.50 1uf3 s ILE 36 CO 0.04 0.32 -0.14 0.00 0.00 0.00 0.00 174.94 175.16 1uf3 s ALA 37 N -0.15 1.26 -0.03 9.38 0.00 -0.78 -1.43 121.76 130.01 1uf3 s ALA 37 Ca 0.02 -0.53 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 1uf3 s ALA 37 Cb -0.07 -0.45 0.03 0.00 0.00 0.00 0.00 23.12 22.63 1uf3 s ALA 37 CO 0.00 0.21 0.06 -1.17 0.00 0.00 0.00 175.76 174.86 1uf3 s LEU 38 N 0.17 1.07 0.01 0.00 0.20 -0.45 -2.77 118.68 116.91 1uf3 s LEU 38 Ca -0.05 0.11 0.04 0.00 0.69 0.00 0.00 54.13 54.92 1uf3 s LEU 38 Cb -0.11 0.07 -0.03 0.00 -0.43 0.00 0.00 46.19 45.68 1uf3 s LEU 38 CO 0.02 -0.12 -0.07 -0.63 -0.29 0.00 0.00 176.35 175.26 1uf3 s ILE 39 N 0.98 3.65 1.01 6.68 1.01 -0.99 -2.70 121.20 130.83 1uf3 s ILE 39 Ca -0.08 -0.82 -0.17 0.00 0.00 0.00 0.00 60.65 59.59 1uf3 s ILE 39 Cb -0.11 -2.60 0.26 0.00 0.01 0.00 0.00 42.46 40.02 1uf3 s ILE 39 CO -0.03 0.36 0.68 0.61 0.00 0.00 0.00 174.94 176.56 1uf3 n GLY 40 N 1.46 -3.50 3.68 6.18 0.00 -0.41 -1.27 105.19 111.32 1uf3 n GLY 40 Ca -0.15 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 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 -3.08 6.72 0.21 1.61 0.01 -1.26 -1.92 114.94 117.24 1uf3 s ASN 41 Ca 0.49 2.23 0.21 0.00 -0.71 0.00 0.00 52.86 55.09 1uf3 s ASN 41 Cb -0.07 -2.55 0.91 0.00 0.41 0.00 0.00 41.25 39.95 1uf3 s ASN 41 CO 0.40 -0.85 1.64 0.18 -1.51 0.00 0.00 177.10 176.96 1uf3 n LEU 42 N 6.22 0.52 -4.87 0.60 7.99 -1.26 -1.59 117.00 124.60 1uf3 n LEU 42 Ca 0.16 0.64 -0.22 0.00 -0.01 0.00 0.00 56.01 56.57 1uf3 n LEU 42 Cb 0.43 -0.59 -0.04 0.00 -0.11 0.00 0.00 43.42 43.11 1uf3 n LEU 42 CO 0.61 -0.55 -0.13 -2.84 -1.51 0.00 0.00 177.39 172.97 1uf3 s PRO 44 N -3.28 3.12 0.25 3.23 0.02 -1.26 -1.77 135.00 135.31 1uf3 s PRO 44 Ca 0.04 -0.91 -0.03 0.00 0.02 0.00 0.00 61.00 60.12 1uf3 s PRO 44 Cb 0.09 -2.70 0.49 0.00 0.02 0.00 0.00 34.50 32.39 1uf3 s PRO 44 CO 0.34 0.43 1.74 -0.22 -0.33 0.00 0.00 177.00 178.95 1uf3 h LYS 45 N 1.54 0.48 -0.00 5.54 1.63 -1.91 -1.87 116.57 121.96 1uf3 h LYS 45 Ca -0.49 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.28 1uf3 h LYS 45 Cb 1.23 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 32.75 1uf3 h LYS 45 CO 0.62 0.32 0.03 0.00 -3.45 0.00 0.00 179.45 176.96 1uf3 h ALA 46 N 1.55 1.07 -2.34 5.00 0.00 -1.91 -3.44 119.26 119.19 1uf3 h ALA 46 Ca 0.43 -0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.79 1uf3 h ALA 46 Cb 0.65 0.00 0.20 0.00 0.00 0.00 0.00 17.79 18.64 1uf3 h ALA 46 CO -0.39 -0.03 -0.53 0.00 0.00 0.00 0.00 179.25 178.30 1uf3 n ALA 47 N -2.08 -2.04 -2.58 0.00 0.00 -0.71 -5.04 120.51 108.06 1uf3 n ALA 47 Ca -0.03 -0.36 -0.27 0.00 0.00 0.00 0.00 53.44 52.78 1uf3 n ALA 47 Cb 0.10 -1.80 -0.10 0.00 0.00 0.00 0.00 19.45 17.64 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 -2.94 1.89 0.22 0.00 -0.14 -1.26 -4.95 119.74 112.55 1uf3 s LYS 48 Ca 0.62 -2.09 -0.09 0.00 -1.36 0.00 0.00 55.97 53.05 1uf3 s LYS 48 Cb -0.30 -1.36 0.34 0.00 -1.68 0.00 0.00 37.83 34.82 1uf3 s LYS 48 CO 0.62 -0.14 1.69 0.77 -0.76 0.00 0.00 175.35 177.53 1uf3 h SER 49 N 1.83 -0.05 -0.96 2.83 0.02 -1.96 0.01 113.55 115.27 1uf3 h SER 49 Ca -0.43 0.13 0.19 0.00 -0.84 0.00 0.00 61.79 60.84 1uf3 h SER 49 Cb 1.25 0.19 -0.09 0.00 0.14 0.00 0.00 62.40 63.89 1uf3 h SER 49 CO 0.76 -0.03 0.61 0.03 -1.14 0.00 0.00 176.83 177.06 1uf3 h ARG 50 N 0.24 0.62 -0.36 3.45 3.08 -1.97 0.01 114.38 119.44 1uf3 h ARG 50 Ca 0.34 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.33 1uf3 h ARG 50 Cb 0.54 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1uf3 h ARG 50 CO -0.45 0.41 0.12 -0.44 -1.07 0.00 0.00 179.97 178.53 1uf3 h ASP 51 N 0.64 0.52 -0.77 7.04 3.32 -1.40 -2.38 116.42 123.39 1uf3 h ASP 51 Ca 0.53 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 57.35 1uf3 h ASP 51 Cb 0.97 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.35 1uf3 h ASP 51 CO -0.28 0.58 0.37 1.88 -1.72 0.00 0.00 179.24 180.08 1uf3 h TYR 52 N 0.43 1.11 -0.29 4.55 -1.99 -0.83 -1.66 116.97 118.28 1uf3 h TYR 52 Ca 0.12 -0.05 0.03 0.00 2.00 0.00 0.00 58.73 60.83 1uf3 h TYR 52 Cb 0.25 -0.35 -0.03 0.00 2.00 0.00 0.00 36.73 38.60 1uf3 h TYR 52 CO 0.01 0.81 0.09 0.00 -0.00 0.00 0.00 178.16 179.06 1uf3 h ALA 53 N 1.30 0.33 -0.56 3.88 0.00 -0.87 0.90 119.26 124.24 1uf3 h ALA 53 Ca 0.27 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 1uf3 h ALA 53 Cb 0.11 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1uf3 h ALA 53 CO -0.03 -0.31 0.01 0.00 0.00 0.00 0.00 179.25 178.91 1uf3 h ALA 54 N 1.19 0.96 0.14 0.00 0.00 -1.19 -1.56 119.26 118.81 1uf3 h ALA 54 Ca 0.13 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1uf3 h ALA 54 Cb 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1uf3 h ALA 54 CO -0.15 0.63 -0.14 0.35 0.00 0.00 0.00 179.25 179.95 1uf3 h PHE 55 N 0.88 -0.35 -0.23 0.00 3.57 -0.70 -2.55 116.94 117.56 1uf3 h PHE 55 Ca 0.16 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 1uf3 h PHE 55 Cb 0.51 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 1uf3 h PHE 55 CO 0.03 -0.21 -0.02 0.74 -2.23 0.00 0.00 178.31 176.63 1uf3 h PHE 56 N -0.30 0.34 -0.57 0.41 0.05 -0.72 -2.31 116.94 113.83 1uf3 h PHE 56 Ca 0.00 -0.02 -0.06 0.00 3.82 0.00 0.00 57.97 61.71 1uf3 h PHE 56 Cb 0.29 -0.10 -0.02 0.00 2.00 0.00 0.00 35.95 38.11 1uf3 h PHE 56 CO -0.13 0.36 0.13 -0.09 -0.18 0.00 0.00 178.31 178.41 1uf3 h ARG 57 N 0.33 0.92 -0.32 1.51 2.43 -0.96 -0.23 114.38 118.05 1uf3 h ARG 57 Ca 0.07 -0.23 -0.17 0.00 -0.81 0.00 0.00 59.98 58.84 1uf3 h ARG 57 Cb 0.25 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1uf3 h ARG 57 CO 0.01 0.86 -0.48 0.82 -1.51 0.00 0.00 179.97 179.67 1uf3 h ILE 58 N 0.82 1.27 -0.82 1.20 2.04 -1.25 -3.10 117.51 117.67 1uf3 h ILE 58 Ca 0.18 -1.66 -0.02 0.00 1.00 0.00 0.00 64.86 64.36 1uf3 h ILE 58 Cb 0.36 1.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.95 1uf3 h ILE 58 CO 0.00 0.55 0.45 0.25 0.00 0.00 0.00 178.15 179.40 1uf3 h LEU 59 N 0.69 1.02 -2.40 1.44 6.46 -1.19 -2.46 115.31 118.88 1uf3 h LEU 59 Ca 0.03 -0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 57.69 1uf3 h LEU 59 Cb 1.09 -0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 40.76 1uf3 h LEU 59 CO 0.11 0.82 -0.02 0.77 -0.62 0.00 0.00 178.44 179.50 1uf3 h SER 60 N 1.14 0.00 0.40 1.25 4.64 -0.97 -2.35 113.55 117.66 1uf3 h SER 60 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1uf3 h SER 60 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1uf3 h SER 60 CO -0.05 0.02 0.00 1.21 -0.87 0.00 0.00 176.83 177.15 1uf3 n GLU 61 N -3.76 0.16 0.04 4.77 4.07 -0.93 -1.56 120.64 123.43 1uf3 n GLU 61 Ca -0.03 0.51 -0.04 0.00 -0.06 0.00 0.00 57.16 57.54 1uf3 n GLU 61 Cb 0.11 -1.88 0.18 0.00 -0.06 0.00 0.00 31.44 29.80 1uf3 n GLU 61 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1uf3 h ALA 62 N 2.16 1.03 -6.07 4.31 0.00 -1.59 -3.47 119.26 115.63 1uf3 h ALA 62 Ca 0.00 -0.40 -0.41 0.00 0.00 0.00 0.00 54.91 54.10 1uf3 h ALA 62 Cb 0.20 -0.11 0.06 0.00 0.00 0.00 0.00 17.79 17.95 1uf3 h ALA 62 CO 0.00 0.59 -0.84 0.72 0.00 0.00 0.00 179.25 179.73 1uf3 n HIS 63 N -4.06 -1.93 -4.11 0.00 8.25 -0.60 -5.00 115.22 107.77 1uf3 n HIS 63 Ca -0.01 0.82 -0.09 0.00 -0.26 0.00 0.00 57.72 58.18 1uf3 n HIS 63 Cb 0.46 -4.34 -0.10 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 -6.61 2.47 0.10 2.41 1.43 -1.26 -5.09 118.68 112.12 1uf3 s LEU 64 Ca 0.04 -0.95 -0.31 0.00 -1.03 0.00 0.00 54.13 51.89 1uf3 s LEU 64 Cb -0.01 0.09 -0.10 0.00 0.03 0.00 0.00 46.19 46.20 1uf3 s LEU 64 CO 0.81 -0.52 1.89 -2.84 0.23 0.00 0.00 176.35 175.92 1uf3 s PRO 65 N -3.61 4.13 -0.05 1.29 0.02 -1.26 -4.81 135.00 130.72 1uf3 s PRO 65 Ca 0.06 2.62 0.02 0.00 0.02 0.00 0.00 61.00 63.72 1uf3 s PRO 65 Cb 0.05 -3.79 0.01 0.00 0.02 0.00 0.00 34.50 30.79 1uf3 s PRO 65 CO -0.07 -0.89 -0.11 0.99 -0.33 0.00 0.00 177.00 176.59 1uf3 s THR 66 N 3.33 1.01 0.12 0.99 2.01 0.51 -0.87 115.64 122.74 1uf3 s THR 66 Ca 0.84 -0.43 0.08 0.00 0.31 0.00 0.00 61.69 62.49 1uf3 s THR 66 Cb -0.45 -0.92 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 1uf3 s THR 66 CO 0.38 0.32 -0.19 0.00 -0.69 0.00 0.00 174.62 174.44 1uf3 s ALA 67 N 0.57 1.83 -0.04 7.40 0.00 -0.51 -0.13 121.76 130.87 1uf3 s ALA 67 Ca -0.11 -1.32 -0.29 0.00 0.00 0.00 0.00 51.96 50.23 1uf3 s ALA 67 Cb -0.14 -0.21 0.09 0.00 0.00 0.00 0.00 23.12 22.86 1uf3 s ALA 67 CO 0.03 0.30 0.77 1.52 0.00 0.00 0.00 175.76 178.37 1uf3 s TYR 68 N -1.50 -0.54 0.07 0.00 -0.85 -0.63 -1.34 117.35 112.56 1uf3 s TYR 68 Ca 0.09 0.80 0.06 0.00 -0.52 0.00 0.00 57.07 57.50 1uf3 s TYR 68 Cb -0.08 0.45 -0.03 0.00 0.38 0.00 0.00 41.96 42.68 1uf3 s TYR 68 CO 0.05 -0.57 -0.16 0.14 -1.52 0.00 0.00 175.55 173.48 1uf3 s VAL 69 N -1.73 1.30 0.77 -3.49 -7.23 -1.10 -1.13 120.40 107.80 1uf3 s VAL 69 Ca -0.05 -1.32 -0.11 0.00 -1.81 0.00 0.00 61.98 58.68 1uf3 s VAL 69 Cb -0.00 -1.21 0.06 0.00 0.56 0.00 0.00 36.38 35.78 1uf3 s VAL 69 CO 0.03 -0.13 1.09 -2.16 -0.31 0.00 0.00 175.10 173.62 1uf3 s PRO 70 N -1.68 2.29 0.57 4.82 0.04 -1.26 -1.28 135.00 138.49 1uf3 s PRO 70 Ca 0.01 0.70 0.08 0.00 0.04 0.00 0.00 61.00 61.84 1uf3 s PRO 70 Cb -0.10 -1.94 0.07 0.00 0.04 0.00 0.00 34.50 32.58 1uf3 s PRO 70 CO 0.03 -1.49 0.68 0.20 0.04 0.00 0.00 177.00 176.45 1uf3 s GLY 71 N -3.89 1.91 0.52 0.56 0.00 -1.26 -0.78 107.32 104.38 1uf3 s GLY 71 Ca 0.60 -1.90 0.26 0.00 0.00 0.00 0.00 44.72 43.68 1uf3 s GLY 71 CO 0.54 -1.76 1.96 -2.55 0.00 0.00 0.00 173.10 171.30 1uf3 h PRO 72 N 0.34 0.05 -0.36 2.90 0.11 -1.79 -2.62 132.00 130.62 1uf3 h PRO 72 Ca -0.32 -0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.63 1uf3 h PRO 72 Cb 1.29 -0.01 -0.09 0.00 0.11 0.00 0.00 31.00 32.30 1uf3 h PRO 72 CO 0.45 0.03 -0.03 0.00 -0.21 0.00 0.00 178.00 178.25 1uf3 n GLN 73 N -4.37 2.07 -2.01 1.05 10.64 -1.26 0.40 117.38 123.89 1uf3 n GLN 73 Ca 0.12 -3.10 -0.38 0.00 -1.83 0.00 0.00 57.00 51.81 1uf3 n GLN 73 Cb 0.67 -1.84 -0.01 0.00 -0.86 0.00 0.00 30.24 28.21 1uf3 n GLN 73 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1uf3 n ASP 74 N -1.01 7.59 -4.48 2.61 8.00 -0.99 -3.25 116.55 125.03 1uf3 n ASP 74 Ca 0.32 -3.30 -0.26 0.00 0.71 0.00 0.00 54.79 52.26 1uf3 n ASP 74 Cb 1.03 -1.28 -0.10 0.00 -0.02 0.00 0.00 41.12 40.74 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 -2.03 2.72 0.65 2.24 0.00 -1.26 -4.12 121.76 119.95 1uf3 s ALA 75 Ca 0.52 -1.69 -0.16 0.00 0.00 0.00 0.00 51.96 50.62 1uf3 s ALA 75 Cb 0.24 -0.41 -0.00 0.00 0.00 0.00 0.00 23.12 22.95 1uf3 s ALA 75 CO -0.15 0.37 1.16 -2.14 0.00 0.00 0.00 175.76 175.01 1uf3 s PRO 76 N -3.05 2.71 0.28 0.00 0.02 -1.19 -4.91 135.00 128.86 1uf3 s PRO 76 Ca 0.25 1.63 0.01 0.00 0.02 0.00 0.00 61.00 62.91 1uf3 s PRO 76 Cb -0.07 -1.92 0.55 0.00 0.02 0.00 0.00 34.50 33.08 1uf3 s PRO 76 CO 0.13 -1.37 1.83 0.97 -0.33 0.00 0.00 177.00 178.23 1uf3 h ILE 77 N 0.28 0.91 -0.50 2.83 6.09 -0.81 -2.80 117.51 123.51 1uf3 h ILE 77 Ca -0.48 -0.34 0.06 0.00 -1.37 0.00 0.00 64.86 62.73 1uf3 h ILE 77 Cb 1.28 -0.15 -0.03 0.00 0.47 0.00 0.00 36.82 38.38 1uf3 h ILE 77 CO 0.53 0.18 0.34 -0.50 -3.07 0.00 0.00 178.15 175.63 1uf3 h TRP 78 N 0.98 0.45 -0.20 2.19 4.06 -1.90 -1.23 115.95 120.29 1uf3 h TRP 78 Ca 0.49 0.01 -0.05 0.00 2.06 0.00 0.00 58.89 61.41 1uf3 h TRP 78 Cb 0.49 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 28.49 1uf3 h TRP 78 CO -0.01 0.25 -0.05 0.93 -3.56 0.00 0.00 178.44 176.00 1uf3 h GLU 79 N 0.45 0.39 -0.67 0.49 5.08 -1.86 0.14 114.58 118.60 1uf3 h GLU 79 Ca 0.22 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1uf3 h GLU 79 Cb 0.29 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1uf3 h GLU 79 CO -0.06 0.64 0.44 -0.92 -1.00 0.00 0.00 179.01 178.12 1uf3 h TYR 80 N 0.12 0.84 0.20 4.33 3.20 -1.57 -2.64 116.97 121.44 1uf3 h TYR 80 Ca 0.05 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1uf3 h TYR 80 Cb 0.50 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.49 1uf3 h TYR 80 CO 0.05 0.52 -0.10 1.25 -1.64 0.00 0.00 178.16 178.25 1uf3 h LEU 81 N 0.90 -0.23 -0.50 2.82 5.85 -1.02 -1.83 115.31 121.31 1uf3 h LEU 81 Ca 0.25 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.87 1uf3 h LEU 81 Cb -0.10 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1uf3 h LEU 81 CO -0.06 0.00 0.26 -0.09 -0.34 0.00 0.00 178.44 178.22 1uf3 h ARG 82 N -0.46 0.49 0.00 1.25 2.43 -0.65 0.36 114.38 117.81 1uf3 h ARG 82 Ca -0.03 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.03 1uf3 h ARG 82 Cb 0.35 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1uf3 h ARG 82 CO 0.05 0.33 -0.39 0.93 -1.51 0.00 0.00 179.97 179.37 1uf3 h GLU 83 N 0.51 0.00 -0.27 0.20 4.39 -1.49 0.92 114.58 118.84 1uf3 h GLU 83 Ca 0.22 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.73 1uf3 h GLU 83 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1uf3 h GLU 83 CO -0.15 0.39 -0.58 0.00 -1.16 0.00 0.00 179.01 177.52 1uf3 h ALA 84 N 1.61 0.43 -0.26 3.43 0.00 -0.47 -1.52 119.26 122.48 1uf3 h ALA 84 Ca -0.00 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 1uf3 h ALA 84 Cb 0.77 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1uf3 h ALA 84 CO 0.05 0.67 0.16 0.00 0.00 0.00 0.00 179.25 180.13 1uf3 h ALA 85 N 0.66 0.34 0.37 0.00 0.00 0.43 -1.89 119.26 119.17 1uf3 h ALA 85 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1uf3 h ALA 85 Cb 1.19 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1uf3 h ALA 85 CO 0.13 -0.17 -0.25 -0.91 0.00 0.00 0.00 179.25 178.05 1uf3 h ASN 86 N 0.34 -0.62 -0.34 0.00 2.35 -0.71 -1.62 115.58 114.98 1uf3 h ASN 86 Ca 0.10 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1uf3 h ASN 86 Cb 0.00 0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 1uf3 h ASN 86 CO -0.02 -0.39 0.18 1.62 -1.65 0.00 0.00 177.43 177.17 1uf3 h VAL 87 N -0.60 1.13 0.00 2.81 3.04 -1.26 -2.30 116.25 119.07 1uf3 h VAL 87 Ca -0.04 -0.38 -0.10 0.00 -1.01 0.00 0.00 66.70 65.17 1uf3 h VAL 87 Cb 0.50 0.66 -0.01 0.00 -2.01 0.00 0.00 31.29 30.43 1uf3 h VAL 87 CO 0.03 0.15 -0.48 -0.33 -1.01 0.00 0.00 177.57 175.93 1uf3 h GLU 88 N 0.52 0.00 -0.41 4.17 5.08 -1.09 0.66 114.58 123.52 1uf3 h GLU 88 Ca 0.13 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1uf3 h GLU 88 Cb 0.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1uf3 h GLU 88 CO -0.02 0.48 0.16 -0.07 -1.00 0.00 0.00 179.01 178.56 1uf3 h LEU 89 N 0.00 0.53 0.09 1.33 3.38 -0.70 -3.20 115.31 116.74 1uf3 h LEU 89 Ca -0.00 -0.05 -0.29 0.00 0.09 0.00 0.00 57.88 57.62 1uf3 h LEU 89 Cb 0.94 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1uf3 h LEU 89 CO 0.06 0.48 -1.53 0.58 0.09 0.00 0.00 178.44 178.13 1uf3 h VAL 90 N 0.58 0.91 -3.51 1.22 2.07 -1.45 -3.43 116.25 112.63 1uf3 h VAL 90 Ca 0.14 -2.34 -0.69 0.00 0.82 0.00 0.00 66.70 64.63 1uf3 h VAL 90 Cb 0.13 2.57 -0.35 0.00 -1.52 0.00 0.00 31.29 32.11 1uf3 h VAL 90 CO -0.01 0.68 -0.55 -1.00 0.02 0.00 0.00 177.57 176.70 1uf3 s HIS 91 N -2.47 3.59 0.55 1.57 3.76 0.19 -4.96 115.29 117.52 1uf3 s HIS 91 Ca -0.22 -2.53 0.25 0.00 -0.15 0.00 0.00 55.06 52.41 1uf3 s HIS 91 Cb 0.05 -3.18 1.47 0.00 1.11 0.00 0.00 32.58 32.03 1uf3 s HIS 91 CO 0.73 -0.96 2.05 -1.00 -0.85 0.00 0.00 174.74 174.72 1uf3 h PRO 92 N 7.89 0.00 -3.23 8.40 0.13 -1.85 -3.40 132.00 139.93 1uf3 h PRO 92 Ca -0.11 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.49 1uf3 h PRO 92 Cb 1.03 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.19 1uf3 h PRO 92 CO 0.68 0.00 3.25 -0.85 -0.23 0.00 0.00 178.00 180.85 1uf3 n GLU 93 N -4.17 2.91 0.00 0.86 0.00 -1.26 -5.02 120.64 113.96 1uf3 n GLU 93 Ca 0.05 -1.84 0.00 0.00 0.00 0.00 0.00 57.16 55.37 1uf3 n GLU 93 Cb 0.43 -2.64 0.00 0.00 0.00 0.00 0.00 31.44 29.24 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 3.92 0.00 -2.68 3.44 3.00 0.81 -0.36 116.66 124.79 1uf3 n ARG 95 Ca 0.62 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 58.04 1uf3 n ARG 95 Cb 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.62 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 7.14 -0.12 6.15 2.47 -1.26 -1.61 114.94 127.72 1uf3 s ASN 96 Ca 0.00 1.42 0.16 0.00 0.42 0.00 0.00 52.86 54.86 1uf3 s ASN 96 Cb 0.00 -2.54 0.60 0.00 -1.45 0.00 0.00 41.25 37.86 1uf3 s ASN 96 CO 0.00 -0.59 1.52 1.33 -3.72 0.00 0.00 177.10 175.64 1uf3 n VAL 97 N 5.06 1.86 -1.83 -5.21 0.24 -0.28 -4.81 118.33 113.36 1uf3 n VAL 97 Ca 0.11 -1.35 -0.43 0.00 -2.04 0.00 0.00 64.34 60.63 1uf3 n VAL 97 Cb 0.47 0.07 -0.03 0.00 -1.47 0.00 0.00 33.84 32.89 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 -2.00 1.57 0.00 6.34 5.04 -1.26 -2.01 115.29 122.98 1uf3 s HIS 98 Ca 0.44 0.29 0.00 0.00 -1.54 0.00 0.00 55.06 54.25 1uf3 s HIS 98 Cb 0.30 -4.04 0.00 0.00 0.04 0.00 0.00 32.58 28.88 1uf3 s HIS 98 CO 0.18 -3.97 0.00 0.39 -2.34 0.00 0.00 174.74 169.00 1uf3 n GLU 99 N 8.04 -0.41 0.00 2.88 1.02 -0.05 -4.93 120.64 127.18 1uf3 n GLU 99 Ca 0.23 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 1uf3 n GLU 99 Cb 0.44 -3.68 0.00 0.00 -0.02 0.00 0.00 31.44 28.18 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 -2.22 0.00 -3.83 2.62 5.66 -0.89 -4.98 114.28 110.63 1uf3 n THR 100 Ca 0.00 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.93 1uf3 n THR 100 Cb 0.10 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.86 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 0.52 -0.19 0.34 1.09 -0.12 -1.26 -3.71 117.98 114.64 1uf3 s PHE 101 Ca 0.00 -0.24 -0.16 0.00 -0.05 0.00 0.00 56.93 56.48 1uf3 s PHE 101 Cb 0.00 0.70 0.03 0.00 -0.63 0.00 0.00 43.02 43.12 1uf3 s PHE 101 CO 0.00 -1.17 0.71 -0.08 -0.05 0.00 0.00 175.22 174.64 1uf3 s THR 102 N -3.81 0.00 0.05 -4.49 -1.32 -0.55 -5.00 115.64 100.52 1uf3 s THR 102 Ca 0.11 -1.09 0.08 0.00 -1.21 0.00 0.00 61.69 59.58 1uf3 s THR 102 Cb -0.05 -2.52 -0.03 0.00 -1.51 0.00 0.00 72.50 68.38 1uf3 s THR 102 CO 0.06 0.00 -0.21 -0.36 -2.21 0.00 0.00 174.62 171.89 1uf3 s PHE 103 N -3.03 2.46 0.26 9.09 0.40 -1.26 -1.10 117.98 124.80 1uf3 s PHE 103 Ca 0.16 -0.31 0.11 0.00 -0.60 0.00 0.00 56.93 56.29 1uf3 s PHE 103 Cb -0.05 -1.42 -0.05 0.00 0.51 0.00 0.00 43.02 42.02 1uf3 s PHE 103 CO 0.11 0.23 -0.17 -1.58 0.70 0.00 0.00 175.22 174.50 1uf3 s TRP 104 N -0.91 2.37 -0.18 0.36 0.51 -0.22 -4.93 118.94 115.94 1uf3 s TRP 104 Ca 0.14 -0.31 -0.37 0.00 -2.12 0.00 0.00 56.10 53.44 1uf3 s TRP 104 Cb -0.10 -1.05 -0.13 0.00 -0.81 0.00 0.00 33.47 31.37 1uf3 s TRP 104 CO 0.05 0.67 1.83 0.54 -0.51 0.00 0.00 176.95 179.53 1uf3 n ARG 105 N -0.54 1.70 0.00 4.98 1.74 -1.26 -1.47 116.66 121.81 1uf3 n ARG 105 Ca -0.06 0.62 0.00 0.00 -0.77 0.00 0.00 57.85 57.64 1uf3 n ARG 105 Cb 0.59 -2.40 0.00 0.00 -1.02 0.00 0.00 32.46 29.63 1uf3 n ARG 105 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uf3 n GLY 106 N 4.37 -0.71 3.92 -0.13 0.00 -1.26 -0.75 105.19 110.62 1uf3 n GLY 106 Ca 0.25 0.38 -0.26 0.00 0.00 0.00 0.00 46.02 46.39 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 3.54 -0.03 1.61 0.04 -1.26 -5.03 135.00 133.87 1uf3 s PRO 107 Ca 0.00 -0.02 0.04 0.00 0.04 0.00 0.00 61.00 61.07 1uf3 s PRO 107 Cb 0.00 -2.51 -0.01 0.00 0.04 0.00 0.00 34.50 32.02 1uf3 s PRO 107 CO 0.00 -0.02 -0.16 0.71 0.04 0.00 0.00 177.00 177.57 1uf3 s TYR 108 N -2.49 1.54 -0.42 0.56 1.51 -0.54 -4.41 117.35 113.10 1uf3 s TYR 108 Ca 0.44 -0.39 -0.21 0.00 -1.01 0.00 0.00 57.07 55.91 1uf3 s TYR 108 Cb -0.10 -1.03 0.02 0.00 -0.11 0.00 0.00 41.96 40.74 1uf3 s TYR 108 CO 0.39 -0.11 0.65 -1.17 -1.11 0.00 0.00 175.55 174.20 1uf3 s LEU 109 N -0.09 4.44 -0.24 -1.29 2.96 -0.53 -1.05 118.68 122.87 1uf3 s LEU 109 Ca -0.00 -0.23 -0.11 0.00 -0.22 0.00 0.00 54.13 53.56 1uf3 s LEU 109 Cb -0.09 -2.75 -0.05 0.00 0.50 0.00 0.00 46.19 43.79 1uf3 s LEU 109 CO 0.01 -0.75 0.19 -0.69 -1.32 0.00 0.00 176.35 173.78 1uf3 s VAL 110 N 2.83 5.34 0.10 1.68 1.01 -0.26 -1.23 120.40 129.86 1uf3 s VAL 110 Ca 0.23 0.23 -0.07 0.00 0.00 0.00 0.00 61.98 62.37 1uf3 s VAL 110 Cb -0.14 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 1uf3 s VAL 110 CO 0.18 0.32 0.16 0.00 0.00 0.00 0.00 175.10 175.77 1uf3 s ALA 111 N 1.19 0.01 0.24 5.51 0.00 -0.36 -1.48 121.76 126.86 1uf3 s ALA 111 Ca 0.08 -0.82 -0.22 0.00 0.00 0.00 0.00 51.96 51.00 1uf3 s ALA 111 Cb -0.14 0.54 0.05 0.00 0.00 0.00 0.00 23.12 23.56 1uf3 s ALA 111 CO 0.06 -0.51 0.85 0.20 0.00 0.00 0.00 175.76 176.36 1uf3 s GLY 112 N -2.90 -0.07 -0.24 0.00 0.00 -0.85 -1.39 107.32 101.86 1uf3 s GLY 112 Ca 0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 44.72 44.58 1uf3 s GLY 112 CO -0.08 0.12 0.24 0.14 0.00 0.00 0.00 173.10 173.52 1uf3 s VAL 113 N -3.33 -0.33 0.00 1.40 1.01 -0.77 -0.88 120.40 117.51 1uf3 s VAL 113 Ca 0.13 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1uf3 s VAL 113 Cb -0.04 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.54 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 0.46 5.83 4.51 0.00 -1.26 -3.89 105.19 116.15 1uf3 n GLY 114 Ca -0.04 -1.84 0.02 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.61 3.62 -0.02 0.00 0.04 -4.66 105.19 107.56 1uf3 n GLY 115 Ca 0.00 -1.23 -0.40 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.31 4.09 -0.57 1.61 2.12 0.14 -4.32 118.70 121.47 1uf3 s GLU 116 Ca 0.00 0.43 -0.20 0.00 0.36 0.00 0.00 54.97 55.56 1uf3 s GLU 116 Cb 0.00 -3.65 0.08 0.00 0.26 0.00 0.00 34.13 30.82 1uf3 s GLU 116 CO 0.00 -0.37 0.74 0.42 -0.54 0.00 0.00 175.26 175.52 1uf3 s ILE 117 N 2.36 4.71 0.19 -3.70 1.01 -1.26 0.46 121.20 124.97 1uf3 s ILE 117 Ca 0.23 -0.61 -0.05 0.00 0.00 0.00 0.00 60.65 60.22 1uf3 s ILE 117 Cb -0.16 -4.47 -0.06 0.00 0.01 0.00 0.00 42.46 37.79 1uf3 s ILE 117 CO 0.09 -1.08 0.44 0.00 0.00 0.00 0.00 174.94 174.39 1uf3 s ALA 118 N 3.02 3.72 0.20 9.38 0.00 -0.00 -4.89 121.76 133.19 1uf3 s ALA 118 Ca 0.16 -0.52 -0.12 0.00 0.00 0.00 0.00 51.96 51.48 1uf3 s ALA 118 Cb -0.20 -2.21 0.25 0.00 0.00 0.00 0.00 23.12 20.96 1uf3 s ALA 118 CO 0.10 0.56 1.69 -0.44 0.00 0.00 0.00 175.76 177.66 1uf3 h ASP 119 N 2.53 -0.14 0.00 0.00 5.19 -1.94 0.17 116.42 122.23 1uf3 h ASP 119 Ca -0.47 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.07 1uf3 h ASP 119 Cb 1.17 0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.88 1uf3 h ASP 119 CO 0.71 -0.05 0.00 -0.62 -3.12 0.00 0.00 179.24 176.16 1uf3 n GLU 120 N -5.20 0.00 0.00 3.56 1.02 -1.26 -3.53 120.64 115.23 1uf3 n GLU 120 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1uf3 n GLU 120 Cb 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.72 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 -2.09 3.91 0.62 0.00 -1.26 -4.48 105.19 101.89 1uf3 n GLY 121 Ca 0.00 -1.57 -0.31 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.10 3.50 0.48 1.61 0.41 -1.26 -4.68 118.70 118.66 1uf3 s GLU 122 Ca 0.00 -0.32 -0.22 0.00 -0.41 0.00 0.00 54.97 54.02 1uf3 s GLU 122 Cb 0.00 -2.98 -0.07 0.00 -1.78 0.00 0.00 34.13 29.30 1uf3 s GLU 122 CO 0.00 0.57 1.16 -2.14 -0.49 0.00 0.00 175.26 174.36 1uf3 s PRO 123 N -2.53 3.64 -0.02 0.39 0.02 -1.26 -4.72 135.00 130.53 1uf3 s PRO 123 Ca 0.37 1.76 0.00 0.00 0.02 0.00 0.00 61.00 63.14 1uf3 s PRO 123 Cb -0.13 -2.31 0.02 0.00 0.02 0.00 0.00 34.50 32.10 1uf3 s PRO 123 CO 0.27 -0.64 0.01 -2.00 -0.33 0.00 0.00 177.00 174.30 1uf3 s GLU 124 N -2.84 0.12 0.00 5.54 2.56 -0.02 -4.98 118.70 119.09 1uf3 s GLU 124 Ca 0.66 0.09 0.00 0.00 0.00 0.00 0.00 54.97 55.72 1uf3 s GLU 124 Cb -0.28 -0.30 0.00 0.00 2.00 0.00 0.00 34.13 35.55 1uf3 s GLU 124 CO 0.33 -0.11 0.29 0.39 -0.56 0.00 0.00 175.26 175.60 1uf3 n GLU 125 N 3.90 0.06 -0.08 4.30 1.02 -1.08 -0.38 120.64 128.38 1uf3 n GLU 125 Ca -0.24 -0.33 -0.16 0.00 -0.02 0.00 0.00 57.16 56.41 1uf3 n GLU 125 Cb 0.52 -0.64 -0.05 0.00 -0.02 0.00 0.00 31.44 31.25 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 -0.04 0.00 0.18 -0.32 8.25 -1.26 -0.30 115.22 121.73 1uf3 n HIS 126 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.53 1uf3 n HIS 126 Cb 0.26 -0.56 0.16 0.00 1.12 0.00 0.00 29.99 30.97 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 -0.67 0.00 -2.21 -0.41 5.08 -1.93 -3.16 114.58 111.28 1uf3 h GLU 127 Ca -0.32 0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.27 1uf3 h GLU 127 Cb 1.17 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.36 1uf3 h GLU 127 CO -0.19 0.32 0.68 0.00 -1.00 0.00 0.00 179.01 178.82 1uf3 s ALA 128 N -3.18 -1.91 -0.37 3.43 0.00 -1.26 -4.88 121.76 113.59 1uf3 s ALA 128 Ca 0.04 0.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.95 1uf3 s ALA 128 Cb 0.08 0.70 0.07 0.00 0.00 0.00 0.00 23.12 23.96 1uf3 s ALA 128 CO 0.70 -1.08 0.16 -0.51 0.00 0.00 0.00 175.76 175.03 1uf3 s LEU 129 N -3.34 4.72 -0.03 0.00 1.43 0.16 -2.62 118.68 119.00 1uf3 s LEU 129 Ca 0.20 -1.44 0.02 0.00 -1.03 0.00 0.00 54.13 51.88 1uf3 s LEU 129 Cb -0.01 -1.88 0.01 0.00 0.03 0.00 0.00 46.19 44.35 1uf3 s LEU 129 CO 0.02 -0.43 -0.06 -0.60 0.23 0.00 0.00 176.35 175.51 1uf3 s ARG 130 N 1.34 0.76 -0.07 1.70 3.52 0.49 0.28 118.95 126.98 1uf3 s ARG 130 Ca 0.01 -0.17 0.01 0.00 -0.13 0.00 0.00 55.73 55.45 1uf3 s ARG 130 Cb -0.21 -0.75 0.02 0.00 -1.56 0.00 0.00 34.95 32.45 1uf3 s ARG 130 CO 0.01 0.01 -0.07 0.71 -0.81 0.00 0.00 175.30 175.15 1uf3 s TYR 131 N 0.51 1.12 0.94 5.12 1.51 0.17 -0.84 117.35 125.89 1uf3 s TYR 131 Ca -0.07 -0.42 -0.10 0.00 -1.01 0.00 0.00 57.07 55.47 1uf3 s TYR 131 Cb -0.10 -0.93 0.16 0.00 -0.11 0.00 0.00 41.96 40.97 1uf3 s TYR 131 CO 0.00 -0.31 1.12 -2.30 -1.11 0.00 0.00 175.55 172.95 1uf3 n PRO 132 N 4.31 -0.60 -0.11 -1.71 -0.02 -1.26 -0.82 135.00 134.78 1uf3 n PRO 132 Ca -0.19 -0.11 0.04 0.00 -2.02 0.00 0.00 63.50 61.22 1uf3 n PRO 132 Cb 0.51 -2.35 0.36 0.00 -0.02 0.00 0.00 33.50 32.00 1uf3 n PRO 132 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uf3 h ALA 133 N -1.95 1.66 0.00 3.55 0.00 -0.69 -2.30 119.26 119.52 1uf3 h ALA 133 Ca -0.44 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1uf3 h ALA 133 Cb 1.27 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1uf3 h ALA 133 CO 0.41 0.28 -0.11 0.11 0.00 0.00 0.00 179.25 179.94 1uf3 h TRP 134 N 0.72 0.00 0.07 0.00 5.08 -1.87 -1.74 115.95 118.21 1uf3 h TRP 134 Ca 0.23 0.00 -0.29 0.00 1.08 0.00 0.00 58.89 59.92 1uf3 h TRP 134 Cb 0.05 0.00 0.03 0.00 -3.00 0.00 0.00 29.16 26.23 1uf3 h TRP 134 CO -0.00 0.11 -1.17 0.28 -1.28 0.00 0.00 178.44 176.39 1uf3 h VAL 135 N 0.00 1.28 -0.40 0.12 2.07 -1.76 -1.51 116.25 116.05 1uf3 h VAL 135 Ca -0.00 -2.37 -0.00 0.00 0.82 0.00 0.00 66.70 65.15 1uf3 h VAL 135 Cb 0.23 2.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.54 1uf3 h VAL 135 CO 0.01 0.73 0.24 0.00 0.02 0.00 0.00 177.57 178.57 1uf3 h ALA 136 N 0.33 0.50 -0.47 1.67 0.00 -1.34 -1.22 119.26 118.74 1uf3 h ALA 136 Ca -0.17 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1uf3 h ALA 136 Cb 1.83 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.44 1uf3 h ALA 136 CO 0.23 0.00 0.11 1.49 0.00 0.00 0.00 179.25 181.07 1uf3 h GLU 137 N 0.52 0.72 -0.39 0.00 4.81 -1.35 -2.32 114.58 116.56 1uf3 h GLU 137 Ca 0.14 -0.14 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 1uf3 h GLU 137 Cb 0.01 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1uf3 h GLU 137 CO -0.03 0.66 -0.21 -0.92 -0.73 0.00 0.00 179.01 177.79 1uf3 h TYR 138 N 0.69 0.86 -0.21 0.92 3.20 -0.76 -2.07 116.97 119.61 1uf3 h TYR 138 Ca 0.16 -0.19 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 1uf3 h TYR 138 Cb 0.27 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 1uf3 h TYR 138 CO 0.01 0.91 0.03 0.00 -1.64 0.00 0.00 178.16 177.46 1uf3 h ARG 139 N 0.67 0.36 0.00 1.82 2.47 -0.85 -3.17 114.38 115.68 1uf3 h ARG 139 Ca 0.10 -0.10 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1uf3 h ARG 139 Cb 0.71 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.99 1uf3 h ARG 139 CO 0.05 0.52 0.00 -0.07 0.56 0.00 0.00 179.97 181.03 1uf3 h LEU 140 N 0.15 0.00 -2.21 3.04 3.38 -1.35 -3.10 115.31 115.21 1uf3 h LEU 140 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1uf3 h LEU 140 Cb 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1uf3 h LEU 140 CO 0.01 0.00 -0.01 0.07 0.09 0.00 0.00 178.44 178.60 1uf3 h LYS 141 N 0.00 0.00 0.00 1.13 2.10 -1.34 -1.23 116.57 117.23 1uf3 h LYS 141 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 1uf3 h LYS 141 Cb 0.59 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.91 1uf3 h LYS 141 CO 0.00 0.01 -0.21 0.00 -2.00 0.00 0.00 179.45 177.25 1uf3 h ALA 142 N 1.99 1.31 0.00 0.07 0.00 -1.71 -1.80 119.26 119.13 1uf3 h ALA 142 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1uf3 h ALA 142 Cb 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1uf3 h ALA 142 CO 0.00 0.27 0.00 -0.07 0.00 0.00 0.00 179.25 179.45 1uf3 h LEU 143 N 0.00 0.00 -0.79 0.00 3.38 -1.44 -0.71 115.31 115.75 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 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1uf3 h LEU 143 CO 0.03 0.00 0.00 0.79 0.09 0.00 0.00 178.44 179.35 1uf3 n TRP 144 N -2.52 0.64 0.70 1.13 5.03 -0.67 -0.75 117.44 121.00 1uf3 n TRP 144 Ca -0.01 0.28 0.13 0.00 3.03 0.00 0.00 57.50 60.93 1uf3 n TRP 144 Cb 0.13 -0.95 0.37 0.00 -1.03 0.00 0.00 31.31 29.83 1uf3 n TRP 144 CO 0.00 0.00 0.00 0.39 -0.03 0.00 0.00 177.69 178.05 1uf3 n GLU 145 N -2.11 0.21 -2.81 -0.99 -0.58 -0.27 -3.77 120.64 110.31 1uf3 n GLU 145 Ca 0.01 0.13 -0.20 0.00 -0.42 0.00 0.00 57.16 56.68 1uf3 n GLU 145 Cb 0.15 -1.70 -0.01 0.00 -0.57 0.00 0.00 31.44 29.31 1uf3 n GLU 145 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1uf3 n LEU 146 N -2.05 2.80 0.09 -4.62 4.77 0.07 -4.94 117.00 113.12 1uf3 n LEU 146 Ca 0.05 -4.86 0.12 0.00 -0.03 0.00 0.00 56.01 51.28 1uf3 n LEU 146 Cb 0.41 0.05 0.45 0.00 -2.33 0.00 0.00 43.42 42.01 1uf3 n LEU 146 CO 0.32 2.09 0.86 2.29 -1.33 0.00 0.00 177.39 181.62 1uf3 n LYS 147 N -0.12 0.16 -0.82 3.23 2.85 -1.14 -3.80 118.16 118.51 1uf3 n LYS 147 Ca 0.26 0.29 -0.16 0.00 -1.05 0.00 0.00 58.31 57.64 1uf3 n LYS 147 Cb 0.64 -1.75 0.09 0.00 -0.65 0.00 0.00 35.03 33.36 1uf3 n LYS 147 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1uf3 n ASP 148 N -2.04 4.50 -4.04 -5.58 3.85 -1.26 -4.88 116.55 107.11 1uf3 n ASP 148 Ca 0.04 -3.05 -0.22 0.00 -0.71 0.00 0.00 54.79 50.86 1uf3 n ASP 148 Cb 0.29 -0.81 -0.16 0.00 -1.35 0.00 0.00 41.12 39.09 1uf3 n ASP 148 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 1uf3 s TYR 149 N -2.07 1.15 0.43 2.11 1.51 -1.25 -5.11 117.35 114.13 1uf3 s TYR 149 Ca 0.35 -0.29 -0.25 0.00 -1.01 0.00 0.00 57.07 55.87 1uf3 s TYR 149 Cb 0.29 -0.79 -0.08 0.00 -0.11 0.00 0.00 41.96 41.27 1uf3 s TYR 149 CO 0.04 -0.10 1.32 -1.25 -1.11 0.00 0.00 175.55 174.45 1uf3 s PRO 150 N 0.09 3.81 0.20 -1.71 0.04 -1.26 -4.73 135.00 131.43 1uf3 s PRO 150 Ca -0.02 2.18 0.09 0.00 0.04 0.00 0.00 61.00 63.28 1uf3 s PRO 150 Cb -0.09 -2.65 -0.04 0.00 0.04 0.00 0.00 34.50 31.76 1uf3 s PRO 150 CO 0.01 -0.63 -0.05 0.15 0.04 0.00 0.00 177.00 176.51 1uf3 s LYS 151 N -2.39 2.19 -0.14 4.56 1.02 -1.26 -1.45 119.74 122.27 1uf3 s LYS 151 Ca 0.60 -1.26 -0.00 0.00 0.02 0.00 0.00 55.97 55.33 1uf3 s LYS 151 Cb -0.38 -2.21 0.03 0.00 -0.52 0.00 0.00 37.83 34.75 1uf3 s LYS 151 CO 0.49 0.43 -0.06 0.42 -0.92 0.00 0.00 175.35 175.70 1uf3 s ILE 152 N -1.83 1.05 -0.02 2.17 1.01 -0.37 0.34 121.20 123.56 1uf3 s ILE 152 Ca 0.27 -0.44 -0.01 0.00 0.00 0.00 0.00 60.65 60.47 1uf3 s ILE 152 Cb -0.08 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 1uf3 s ILE 152 CO 0.17 0.26 0.07 -0.36 0.00 0.00 0.00 174.94 175.08 1uf3 s PHE 153 N 1.68 3.28 -0.17 3.97 0.08 -0.45 -1.23 117.98 125.14 1uf3 s PHE 153 Ca 0.03 0.21 0.01 0.00 0.12 0.00 0.00 56.93 57.30 1uf3 s PHE 153 Cb -0.14 -1.75 0.03 0.00 -0.57 0.00 0.00 43.02 40.59 1uf3 s PHE 153 CO -0.08 0.55 -0.15 -0.51 -0.10 0.00 0.00 175.22 174.93 1uf3 s LEU 154 N -1.60 1.91 0.12 -0.37 1.43 -0.49 -0.93 118.68 118.75 1uf3 s LEU 154 Ca 0.21 -0.60 0.06 0.00 -1.03 0.00 0.00 54.13 52.77 1uf3 s LEU 154 Cb -0.12 -1.26 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 1uf3 s LEU 154 CO 0.12 -0.06 -0.14 -0.36 0.23 0.00 0.00 176.35 176.14 1uf3 s PHE 155 N 1.42 1.37 -0.17 0.29 2.99 -0.49 -1.85 117.98 121.54 1uf3 s PHE 155 Ca 0.04 -0.55 -0.18 0.00 0.00 0.00 0.00 56.93 56.23 1uf3 s PHE 155 Cb -0.14 -0.72 -0.23 0.00 0.00 0.00 0.00 43.02 41.94 1uf3 s PHE 155 CO -0.11 0.13 0.35 1.25 -0.00 0.00 0.00 175.22 176.84 1uf3 h HIS 156 N 3.59 0.18 -0.93 0.36 -0.00 -1.77 -3.21 115.15 113.37 1uf3 h HIS 156 Ca -0.40 -0.13 0.00 0.00 -0.00 0.00 0.00 60.37 59.84 1uf3 h HIS 156 Cb 1.19 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.60 1uf3 h HIS 156 CO 0.65 1.52 0.00 2.41 -0.00 0.00 0.00 177.93 182.51 1uf3 n THR 157 N -4.17 0.00 -4.38 6.26 -1.04 -1.26 -2.40 114.28 107.29 1uf3 n THR 157 Ca -0.29 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.53 1uf3 n THR 157 Cb 0.78 -1.28 -0.10 0.00 -1.82 0.00 0.00 70.33 67.90 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 -0.87 1.43 0.22 -2.82 0.04 -1.26 -4.89 135.00 126.85 1uf3 s PRO 159 Ca 0.00 -1.72 -0.30 0.00 0.04 0.00 0.00 61.00 59.02 1uf3 s PRO 159 Cb 0.00 -0.92 -0.08 0.00 0.04 0.00 0.00 34.50 33.54 1uf3 s PRO 159 CO 0.00 -0.01 1.01 -0.47 0.04 0.00 0.00 177.00 177.58 1uf3 s TYR 160 N -3.18 3.79 -0.22 0.56 5.04 0.28 -3.85 117.35 119.76 1uf3 s TYR 160 Ca 0.28 1.79 -0.05 0.00 -2.44 0.00 0.00 57.07 56.65 1uf3 s TYR 160 Cb 0.04 -3.12 0.08 0.00 0.35 0.00 0.00 41.96 39.31 1uf3 s TYR 160 CO 0.10 -0.03 0.11 -1.58 -1.34 0.00 0.00 175.55 172.81 1uf3 s HIS 161 N -0.81 0.21 0.06 4.97 5.65 -0.90 -4.80 115.29 119.68 1uf3 s HIS 161 Ca 0.44 -0.50 -0.36 0.00 0.25 0.00 0.00 55.06 54.89 1uf3 s HIS 161 Cb -0.28 -0.75 -0.15 0.00 -1.18 0.00 0.00 32.58 30.22 1uf3 s HIS 161 CO 0.34 -0.64 1.51 1.17 -0.65 0.00 0.00 174.74 176.47 1uf3 n LYS 162 N 5.27 1.59 -0.94 2.88 4.81 -1.26 -0.13 118.16 130.38 1uf3 n LYS 162 Ca -0.06 0.58 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 1uf3 n LYS 162 Cb 0.46 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 33.23 1uf3 n LYS 162 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1uf3 n GLY 163 N 3.16 0.79 0.00 3.14 0.00 -1.26 -4.71 105.19 106.31 1uf3 n GLY 163 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1uf3 n GLY 163 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uf3 n LEU 164 N 0.00 0.01 -2.93 0.99 4.77 -0.77 -5.00 117.00 114.07 1uf3 n LEU 164 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 1uf3 n LEU 164 Cb 0.01 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 1uf3 n LEU 164 CO 0.00 0.00 0.01 -3.20 -1.33 0.00 0.00 177.39 172.87 1uf3 n ASN 165 N -0.72 -2.55 0.00 -1.43 2.85 0.81 -4.99 115.26 109.24 1uf3 n ASN 165 Ca 0.00 -2.82 0.09 0.00 -0.11 0.00 0.00 54.58 51.73 1uf3 n ASN 165 Cb 0.06 1.12 0.41 0.00 1.24 0.00 0.00 39.78 42.61 1uf3 n ASN 165 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1uf3 n GLU 166 N 2.71 0.15 0.13 1.20 4.71 -1.26 -2.11 120.64 126.17 1uf3 n GLU 166 Ca 0.20 0.16 0.09 0.00 -0.01 0.00 0.00 57.16 57.60 1uf3 n GLU 166 Cb 0.55 -1.50 0.04 0.00 -1.01 0.00 0.00 31.44 29.51 1uf3 n GLU 166 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 1uf3 h GLN 167 N 0.00 0.00 -6.76 3.49 1.08 -1.92 -3.48 115.11 107.51 1uf3 h GLN 167 Ca 0.00 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.70 1uf3 h GLN 167 Cb 0.22 0.00 0.22 0.00 -0.05 0.00 0.00 27.48 27.87 1uf3 h GLN 167 CO 0.00 0.08 -0.72 0.41 -0.95 0.00 0.00 178.83 177.65 1uf3 n GLY 168 N 1.19 -2.15 3.67 3.46 0.00 -1.06 -4.94 105.19 105.36 1uf3 n GLY 168 Ca -0.00 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 1uf3 n GLY 168 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uf3 s SER 169 N -1.97 6.86 0.31 1.61 0.15 -1.25 -4.00 113.70 115.40 1uf3 s SER 169 Ca 0.57 1.05 0.03 0.00 0.70 0.00 0.00 55.95 58.30 1uf3 s SER 169 Cb -0.18 -2.41 0.52 0.00 -1.71 0.00 0.00 66.02 62.23 1uf3 s SER 169 CO 0.67 -0.32 1.82 0.45 1.20 0.00 0.00 173.24 177.06 1uf3 h HIS 170 N 7.32 0.59 -0.11 3.44 3.86 -1.91 0.10 115.15 128.45 1uf3 h HIS 170 Ca -0.31 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 58.81 1uf3 h HIS 170 Cb 1.14 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 29.44 1uf3 h HIS 170 CO 0.71 0.61 0.03 0.93 0.86 0.00 0.00 177.93 181.07 1uf3 h GLU 171 N 0.53 0.17 -0.82 2.45 4.39 -1.97 -0.48 114.58 118.86 1uf3 h GLU 171 Ca 0.11 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 1uf3 h GLU 171 Cb 0.42 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.00 1uf3 h GLU 171 CO 0.02 0.32 0.47 0.28 -1.16 0.00 0.00 179.01 178.94 1uf3 h VAL 172 N -0.00 1.23 -0.67 3.13 2.07 -1.90 -1.16 116.25 118.96 1uf3 h VAL 172 Ca 0.04 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 67.03 1uf3 h VAL 172 Cb 0.22 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 1uf3 h VAL 172 CO -0.00 0.25 0.44 0.00 0.02 0.00 0.00 177.57 178.28 1uf3 h ALA 173 N 1.39 0.85 -0.34 1.67 0.00 -1.06 -1.75 119.26 120.02 1uf3 h ALA 173 Ca 0.29 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1uf3 h ALA 173 Cb -0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1uf3 h ALA 173 CO -0.05 0.25 0.12 1.25 0.00 0.00 0.00 179.25 180.82 1uf3 h HIS 174 N 0.89 0.48 -0.31 0.00 6.17 0.08 0.53 115.15 122.99 1uf3 h HIS 174 Ca 0.25 -0.02 -0.14 0.00 0.71 0.00 0.00 60.37 61.17 1uf3 h HIS 174 Cb -0.08 -0.15 -0.01 0.00 2.52 0.00 0.00 27.41 29.69 1uf3 h HIS 174 CO -0.03 0.40 -0.38 -0.07 0.71 0.00 0.00 177.93 178.55 1uf3 h LEU 175 N 0.49 0.77 -0.24 0.26 3.38 -0.64 -0.79 115.31 118.54 1uf3 h LEU 175 Ca 0.12 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 1uf3 h LEU 175 Cb 0.13 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1uf3 h LEU 175 CO -0.01 1.07 -0.10 0.40 0.09 0.00 0.00 178.44 179.89 1uf3 h ILE 176 N 0.60 1.30 -0.14 1.22 2.04 -0.67 -1.76 117.51 120.10 1uf3 h ILE 176 Ca 0.05 -1.16 -0.03 0.00 1.00 0.00 0.00 64.86 64.72 1uf3 h ILE 176 Cb 0.92 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 1uf3 h ILE 176 CO 0.08 0.36 -0.05 0.50 0.00 0.00 0.00 178.15 179.04 1uf3 h LYS 177 N 0.21 0.20 -0.00 2.37 3.64 -0.82 0.13 116.57 122.29 1uf3 h LYS 177 Ca 0.05 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 1uf3 h LYS 177 Cb 0.60 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1uf3 h LYS 177 CO 0.03 0.27 -0.27 1.15 -2.27 0.00 0.00 179.45 178.36 1uf3 h THR 178 N 0.20 1.54 0.00 1.00 2.02 -1.00 -3.36 112.91 113.30 1uf3 h THR 178 Ca 0.05 -1.94 0.00 0.00 0.77 0.00 0.00 66.41 65.28 1uf3 h THR 178 Cb 0.22 2.75 0.00 0.00 -1.74 0.00 0.00 68.15 69.38 1uf3 h THR 178 CO 0.01 0.53 -0.89 1.41 0.37 0.00 0.00 175.52 176.96 1uf3 n HIS 179 N -4.49 0.15 -3.87 3.16 8.25 -0.68 -5.01 115.22 112.72 1uf3 n HIS 179 Ca -0.10 0.04 -0.34 0.00 -0.26 0.00 0.00 57.72 57.07 1uf3 n HIS 179 Cb 0.51 -0.31 0.02 0.00 1.12 0.00 0.00 29.99 31.33 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 -1.76 -3.55 -4.75 0.41 3.02 0.45 -4.92 115.26 104.16 1uf3 n ASN 180 Ca 0.03 -1.10 -0.36 0.00 -0.03 0.00 0.00 54.58 53.12 1uf3 n ASN 180 Cb 0.39 -2.80 0.05 0.00 -0.61 0.00 0.00 39.78 36.81 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 -6.54 2.83 0.11 3.52 0.04 -1.26 -4.71 135.00 128.99 1uf3 s PRO 181 Ca 0.35 1.92 -0.13 0.00 0.04 0.00 0.00 61.00 63.18 1uf3 s PRO 181 Cb -0.15 -1.91 -0.12 0.00 0.04 0.00 0.00 34.50 32.36 1uf3 s PRO 181 CO 0.90 -1.34 1.35 1.25 0.04 0.00 0.00 177.00 179.20 1uf3 h LEU 182 N 0.78 0.93 -8.27 -3.56 6.46 -0.45 -3.39 115.31 107.82 1uf3 h LEU 182 Ca -0.51 -0.58 -0.44 0.00 -0.12 0.00 0.00 57.88 56.24 1uf3 h LEU 182 Cb 1.31 -0.27 -0.26 0.00 -0.73 0.00 0.00 40.66 40.72 1uf3 h LEU 182 CO 0.54 1.34 -0.79 -0.22 -0.62 0.00 0.00 178.44 178.69 1uf3 s LEU 183 N -8.60 2.13 -0.06 2.25 2.96 -1.14 -1.34 118.68 114.88 1uf3 s LEU 183 Ca -0.11 -0.39 -0.00 0.00 -0.22 0.00 0.00 54.13 53.41 1uf3 s LEU 183 Cb 0.09 -0.59 0.02 0.00 0.50 0.00 0.00 46.19 46.21 1uf3 s LEU 183 CO 0.89 0.06 -0.03 -0.69 -1.32 0.00 0.00 176.35 175.26 1uf3 s VAL 184 N -0.71 0.53 -0.13 1.68 1.01 0.65 -1.33 120.40 122.11 1uf3 s VAL 184 Ca 0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 1uf3 s VAL 184 Cb -0.07 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 1uf3 s VAL 184 CO 0.01 0.26 -0.02 -0.76 0.00 0.00 0.00 175.10 174.58 1uf3 s LEU 185 N 1.43 3.40 0.10 3.92 1.43 -0.10 0.24 118.68 129.10 1uf3 s LEU 185 Ca -0.03 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 1uf3 s LEU 185 Cb -0.13 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 1uf3 s LEU 185 CO -0.03 0.26 -0.08 0.68 0.23 0.00 0.00 176.35 177.41 1uf3 s VAL 186 N -0.17 0.79 0.44 -1.59 -7.23 -0.70 -1.40 120.40 110.53 1uf3 s VAL 186 Ca 0.04 -1.84 -0.22 0.00 -1.81 0.00 0.00 61.98 58.15 1uf3 s VAL 186 Cb -0.13 -1.57 -0.09 0.00 0.56 0.00 0.00 36.38 35.15 1uf3 s VAL 186 CO 0.02 -0.77 1.02 0.00 -0.31 0.00 0.00 175.10 175.06 1uf3 s ALA 187 N -3.22 2.99 0.00 1.32 0.00 -1.01 -4.11 121.76 117.73 1uf3 s ALA 187 Ca 0.10 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.65 1uf3 s ALA 187 Cb 0.02 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1uf3 s ALA 187 CO -0.03 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 175.98 1uf3 n GLY 188 N -0.10 3.32 3.74 0.00 0.00 -1.26 -4.93 105.19 105.95 1uf3 n GLY 188 Ca 0.07 -0.64 -0.39 0.00 0.00 0.00 0.00 46.02 45.06 1uf3 n GLY 188 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1uf3 s LYS 189 N -2.00 4.37 0.00 1.61 2.20 -1.26 -2.31 119.74 122.34 1uf3 s LYS 189 Ca 0.00 0.73 0.00 0.00 -0.36 0.00 0.00 55.97 56.34 1uf3 s LYS 189 Cb 0.00 -3.40 0.00 0.00 -1.51 0.00 0.00 37.83 32.92 1uf3 s LYS 189 CO 0.00 0.22 0.00 0.41 -0.36 0.00 0.00 175.35 175.62 1uf3 n GLY 190 N 2.83 -0.48 3.71 5.54 0.00 -1.26 -4.88 105.19 110.66 1uf3 n GLY 190 Ca -0.05 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.18 4.18 0.13 1.61 1.11 -1.26 -4.52 119.66 119.72 1uf3 s GLN 191 Ca 0.00 2.45 -0.25 0.00 0.01 0.00 0.00 55.36 57.57 1uf3 s GLN 191 Cb 0.00 -3.30 0.08 0.00 -1.01 0.00 0.00 33.01 28.78 1uf3 s GLN 191 CO 0.00 -0.71 1.04 -1.59 0.01 0.00 0.00 175.29 174.04 1uf3 s LYS 192 N 1.72 1.07 -0.17 2.91 -2.85 -0.69 -5.01 119.74 116.72 1uf3 s LYS 192 Ca 0.74 -0.61 -0.29 0.00 -1.00 0.00 0.00 55.97 54.81 1uf3 s LYS 192 Cb -0.45 0.35 0.11 0.00 -2.06 0.00 0.00 37.83 35.78 1uf3 s LYS 192 CO 0.32 -0.49 0.92 -3.38 0.10 0.00 0.00 175.35 172.82 1uf3 s HIS 193 N -2.90 -0.48 0.00 1.78 -3.43 -1.26 -0.38 115.29 108.63 1uf3 s HIS 193 Ca 0.15 0.91 0.00 0.00 -0.80 0.00 0.00 55.06 55.32 1uf3 s HIS 193 Cb -0.00 0.41 0.00 0.00 -1.43 0.00 0.00 32.58 31.56 1uf3 s HIS 193 CO 0.02 -0.38 0.00 0.39 -2.00 0.00 0.00 174.74 172.77 1uf3 n GLU 194 N 1.17 0.00 -3.11 -0.38 -0.58 -0.59 -5.01 120.64 112.13 1uf3 n GLU 194 Ca -0.13 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.66 1uf3 n GLU 194 Cb 0.57 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.44 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 -0.39 0.00 -4.62 2.96 0.44 -1.45 118.68 115.62 1uf3 s LEU 196 Ca 0.00 0.02 0.00 0.00 -0.22 0.00 0.00 54.13 53.93 1uf3 s LEU 196 Cb 0.00 1.17 0.00 0.00 0.50 0.00 0.00 46.19 47.86 1uf3 s LEU 196 CO 0.00 -0.07 0.00 0.61 -1.32 0.00 0.00 176.35 175.57 1uf3 n GLY 197 N 4.96 2.05 0.43 7.98 0.00 -1.26 -1.89 105.19 117.46 1uf3 n GLY 197 Ca 0.09 -0.48 0.14 0.00 0.00 0.00 0.00 46.02 45.78 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 9.91 2.65 -2.64 4.61 0.00 -1.26 -4.89 120.51 128.90 1uf3 n ALA 198 Ca 0.00 -0.43 -0.38 0.00 0.00 0.00 0.00 53.44 52.63 1uf3 n ALA 198 Cb 0.00 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.22 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 -2.08 6.66 -0.44 0.00 0.01 -0.79 -4.87 113.70 112.18 1uf3 s SER 199 Ca 0.36 0.78 -0.18 0.00 1.31 0.00 0.00 55.95 58.22 1uf3 s SER 199 Cb 0.21 -2.19 0.03 0.00 0.21 0.00 0.00 66.02 64.28 1uf3 s SER 199 CO 0.36 0.34 0.51 0.86 0.41 0.00 0.00 173.24 175.73 1uf3 s TRP 200 N -1.00 3.13 -0.30 2.43 -0.00 -0.45 -0.42 118.94 122.33 1uf3 s TRP 200 Ca 0.21 -0.37 -0.14 0.00 -0.00 0.00 0.00 56.10 55.79 1uf3 s TRP 200 Cb -0.15 -3.11 -0.03 0.00 -0.00 0.00 0.00 33.47 30.18 1uf3 s TRP 200 CO 0.10 -0.80 0.31 0.08 -0.00 0.00 0.00 176.95 176.64 1uf3 s VAL 201 N 2.33 5.22 0.04 5.86 1.01 -0.52 -0.25 120.40 134.07 1uf3 s VAL 201 Ca 0.14 0.28 0.08 0.00 0.00 0.00 0.00 61.98 62.47 1uf3 s VAL 201 Cb -0.17 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 1uf3 s VAL 201 CO 0.14 0.11 -0.21 -0.69 0.00 0.00 0.00 175.10 174.45 1uf3 s VAL 202 N 1.95 2.60 -0.36 2.92 1.01 0.14 -1.55 120.40 127.11 1uf3 s VAL 202 Ca 0.11 -1.22 -0.01 0.00 0.00 0.00 0.00 61.98 60.86 1uf3 s VAL 202 Cb -0.16 -2.06 0.09 0.00 0.00 0.00 0.00 36.38 34.24 1uf3 s VAL 202 CO 0.11 0.37 0.10 -0.69 0.00 0.00 0.00 175.10 174.99 1uf3 s VAL 203 N -0.87 3.03 0.41 2.92 1.01 0.49 -1.72 120.40 125.67 1uf3 s VAL 203 Ca 0.13 -1.84 0.34 0.00 0.00 0.00 0.00 61.98 60.61 1uf3 s VAL 203 Cb -0.10 -2.97 0.36 0.00 0.00 0.00 0.00 36.38 33.67 1uf3 s VAL 203 CO 0.04 -0.45 2.14 1.55 0.00 0.00 0.00 175.10 178.37 1uf3 h PRO 204 N 7.97 0.00 0.00 2.72 0.13 -1.81 -1.84 132.00 139.18 1uf3 h PRO 204 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1uf3 h PRO 204 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1uf3 h PRO 204 CO 0.61 0.06 0.00 0.41 -0.23 0.00 0.00 178.00 178.85 1uf3 n GLY 205 N -0.64 2.43 3.35 1.56 0.00 -1.22 -2.27 105.19 108.39 1uf3 n GLY 205 Ca -0.02 -2.10 -0.37 0.00 0.00 0.00 0.00 46.02 43.53 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 5.07 0.37 1.61 -1.08 -0.98 -1.56 116.67 120.11 1uf3 s ASP 206 Ca 0.00 -0.65 0.07 0.00 -0.52 0.00 0.00 52.55 51.44 1uf3 s ASP 206 Cb 0.00 -1.87 0.72 0.00 -1.46 0.00 0.00 42.92 40.31 1uf3 s ASP 206 CO 0.00 -0.17 1.93 0.25 0.52 0.00 0.00 175.17 177.70 1uf3 h LEU 207 N 8.22 0.41 -0.19 -1.34 5.85 -0.48 -0.11 115.31 127.67 1uf3 h LEU 207 Ca -0.32 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1uf3 h LEU 207 Cb 1.13 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1uf3 h LEU 207 CO 0.60 0.45 0.00 -1.54 -0.34 0.00 0.00 178.44 177.61 1uf3 n SER 208 N -4.33 0.08 -0.52 1.25 3.41 -1.11 0.15 113.62 112.55 1uf3 n SER 208 Ca 0.01 0.54 0.05 0.00 -0.26 0.00 0.00 58.87 59.20 1uf3 n SER 208 Cb 0.21 -0.55 0.13 0.00 -0.26 0.00 0.00 64.21 63.74 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 -1.61 2.89 -0.95 4.33 -0.58 -0.18 -4.96 120.64 119.58 1uf3 n GLU 209 Ca 0.01 -1.98 0.00 0.00 -0.42 0.00 0.00 57.16 54.77 1uf3 n GLU 209 Cb 0.04 -1.24 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 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 0.27 0.89 3.79 0.62 0.00 0.39 -4.88 105.19 106.27 1uf3 n GLY 210 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.10 4.39 0.20 1.61 2.02 -0.47 -0.62 118.70 125.72 1uf3 s GLU 211 Ca 0.00 0.96 -0.14 0.00 0.02 0.00 0.00 54.97 55.81 1uf3 s GLU 211 Cb 0.00 -3.24 0.01 0.00 0.10 0.00 0.00 34.13 31.00 1uf3 s GLU 211 CO 0.00 0.60 0.45 1.52 0.02 0.00 0.00 175.26 177.85 1uf3 s TYR 212 N -1.14 0.12 0.10 1.61 -0.85 -0.94 -2.60 117.35 113.65 1uf3 s TYR 212 Ca 0.33 -0.47 0.03 0.00 -0.52 0.00 0.00 57.07 56.43 1uf3 s TYR 212 Cb -0.21 0.23 -0.04 0.00 0.38 0.00 0.00 41.96 42.32 1uf3 s TYR 212 CO 0.23 -0.88 -0.08 -1.12 -1.52 0.00 0.00 175.55 172.18 1uf3 s SER 213 N -2.93 1.28 -0.28 -0.18 0.01 0.45 -2.18 113.70 109.87 1uf3 s SER 213 Ca 0.14 -0.88 0.02 0.00 1.31 0.00 0.00 55.95 56.54 1uf3 s SER 213 Cb 0.00 0.05 0.07 0.00 0.21 0.00 0.00 66.02 66.35 1uf3 s SER 213 CO 0.00 -0.35 -0.03 -0.22 0.41 0.00 0.00 173.24 173.06 1uf3 s LEU 214 N -2.65 3.42 0.24 2.44 2.96 -0.07 0.31 118.68 125.33 1uf3 s LEU 214 Ca 0.07 -1.56 -0.18 0.00 -0.22 0.00 0.00 54.13 52.24 1uf3 s LEU 214 Cb 0.00 -1.39 -0.08 0.00 0.50 0.00 0.00 46.19 45.22 1uf3 s LEU 214 CO -0.02 -0.28 0.72 -0.76 -1.32 0.00 0.00 176.35 174.69 1uf3 s LEU 215 N 1.19 4.27 -0.67 -0.68 1.43 0.82 -1.03 118.68 124.02 1uf3 s LEU 215 Ca -0.01 1.37 -0.01 0.00 -1.03 0.00 0.00 54.13 54.45 1uf3 s LEU 215 Cb -0.19 -3.70 0.17 0.00 0.03 0.00 0.00 46.19 42.50 1uf3 s LEU 215 CO -0.08 -0.02 0.48 -0.62 0.23 0.00 0.00 176.35 176.33 1uf3 s ASP 216 N -1.81 5.20 0.60 2.29 -1.08 0.46 -1.22 116.67 121.11 1uf3 s ASP 216 Ca 0.46 -3.12 0.28 0.00 -0.52 0.00 0.00 52.55 49.65 1uf3 s ASP 216 Cb -0.15 -1.82 1.42 0.00 -1.46 0.00 0.00 42.92 40.92 1uf3 s ASP 216 CO 0.20 -0.29 1.83 0.25 0.52 0.00 0.00 175.17 177.68 1uf3 h LEU 217 N 6.64 0.00 0.08 -1.34 5.85 -1.12 0.17 115.31 125.59 1uf3 h LEU 217 Ca 0.02 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.62 1uf3 h LEU 217 Cb 0.90 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.95 1uf3 h LEU 217 CO 0.73 0.00 -0.53 -0.09 -0.34 0.00 0.00 178.44 178.21 1uf3 h ARG 218 N 0.00 0.21 -0.01 1.25 2.43 -1.93 -3.32 114.38 113.01 1uf3 h ARG 218 Ca 0.22 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1uf3 h ARG 218 Cb 1.32 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.99 1uf3 h ARG 218 CO -0.00 1.14 -0.08 0.00 -1.51 0.00 0.00 179.97 179.53 1uf3 n ALA 219 N -2.64 2.72 -3.83 2.80 0.00 -0.80 -4.94 120.51 113.81 1uf3 n ALA 219 Ca -0.12 -0.46 -0.26 0.00 0.00 0.00 0.00 53.44 52.60 1uf3 n ALA 219 Cb 0.70 -1.11 0.01 0.00 0.00 0.00 0.00 19.45 19.04 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 0.08 -3.23 -4.27 0.00 1.74 0.55 -4.98 116.66 106.55 1uf3 n ARG 220 Ca 0.17 0.47 -0.15 0.00 -0.77 0.00 0.00 57.85 57.56 1uf3 n ARG 220 Cb 0.38 -4.60 -0.10 0.00 -1.02 0.00 0.00 32.46 27.12 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 -6.28 1.37 -0.09 5.56 1.02 -1.16 -5.00 119.74 115.17 1uf3 s LYS 221 Ca 0.11 -1.74 -0.18 0.00 0.02 0.00 0.00 55.97 54.17 1uf3 s LYS 221 Cb -0.04 0.00 0.04 0.00 -0.52 0.00 0.00 37.83 37.32 1uf3 s LYS 221 CO 0.86 -0.37 0.44 -0.48 -0.92 0.00 0.00 175.35 174.88 1uf3 s LEU 222 N -3.26 0.30 -0.17 3.17 0.05 -1.26 -0.40 118.68 117.10 1uf3 s LEU 222 Ca 0.38 0.56 -0.12 0.00 0.05 0.00 0.00 54.13 55.00 1uf3 s LEU 222 Cb 0.07 1.65 -0.05 0.00 -2.05 0.00 0.00 46.19 45.81 1uf3 s LEU 222 CO 0.14 -0.36 0.23 -1.61 -0.55 0.00 0.00 176.35 174.20 1uf3 s GLU 223 N -0.66 4.19 0.06 1.48 2.02 -0.20 -4.92 118.70 120.68 1uf3 s GLU 223 Ca -0.08 -0.03 -0.04 0.00 0.02 0.00 0.00 54.97 54.85 1uf3 s GLU 223 Cb -0.03 -3.41 -0.05 0.00 0.10 0.00 0.00 34.13 30.74 1uf3 s GLU 223 CO 0.04 0.29 0.28 0.99 0.02 0.00 0.00 175.26 176.88 1uf3 s THR 224 N 0.33 5.29 0.26 3.63 2.01 -1.26 -0.89 115.64 125.01 1uf3 s THR 224 Ca 0.13 -0.03 -0.15 0.00 0.31 0.00 0.00 61.69 61.95 1uf3 s THR 224 Cb -0.12 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 68.79 1uf3 s THR 224 CO 0.02 0.21 0.56 -0.83 -0.69 0.00 0.00 174.62 173.89 1uf3 s GLY 225 N -2.13 0.36 -0.04 4.40 0.00 -0.93 -5.00 107.32 103.99 1uf3 s GLY 225 Ca 0.33 -0.72 -0.06 0.00 0.00 0.00 0.00 44.72 44.28 1uf3 s GLY 225 CO 0.22 -0.46 0.14 0.21 0.00 0.00 0.00 173.10 173.20 1uf3 s ASN 226 N -2.99 -0.09 0.00 1.64 3.84 -1.26 -2.21 114.94 113.86 1uf3 s ASN 226 Ca 0.19 0.14 0.26 0.00 0.21 0.00 0.00 52.86 53.66 1uf3 s ASN 226 Cb -0.02 0.27 0.61 0.00 -0.55 0.00 0.00 41.25 41.56 1uf3 s ASN 226 CO 0.09 -0.14 1.49 1.33 -2.79 0.00 0.00 177.10 177.08 1uf3 n VAL 227 N 2.56 0.01 1.65 -5.21 0.24 0.21 -5.00 118.33 112.77 1uf3 n VAL 227 Ca -0.15 -0.01 0.15 0.00 -2.04 0.00 0.00 64.34 62.28 1uf3 n VAL 227 Cb 0.58 0.12 0.65 0.00 -1.47 0.00 0.00 33.84 33.72 1uf3 n VAL 227 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23