#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufr n PHE 3 N 0.00 2.43 -0.05 -1.55 7.35 -1.26 -1.26 117.46 123.12 1ufr n PHE 3 Ca 0.00 0.20 -0.10 0.00 -0.76 0.00 0.00 57.45 56.79 1ufr n PHE 3 Cb 0.00 -2.58 -0.04 0.00 0.35 0.00 0.00 39.48 37.21 1ufr n PHE 3 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1ufr n LYS 4 N 3.56 0.23 -3.56 -4.13 4.81 0.22 -4.90 118.16 114.40 1ufr n LYS 4 Ca 0.17 0.08 -0.06 0.00 -0.87 0.00 0.00 58.31 57.63 1ufr n LYS 4 Cb 0.31 -1.00 -0.02 0.00 0.02 0.00 0.00 35.03 34.34 1ufr n LYS 4 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ufr s ALA 5 N -2.19 -1.96 -0.29 3.14 0.00 -0.82 -5.00 121.76 114.63 1ufr s ALA 5 Ca -0.14 1.28 -0.20 0.00 0.00 0.00 0.00 51.96 52.90 1ufr s ALA 5 Cb 0.05 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.30 1ufr s ALA 5 CO 0.20 -0.66 0.63 -2.00 0.00 0.00 0.00 175.76 173.93 1ufr s GLU 6 N -2.74 3.98 0.00 0.00 2.12 -1.26 -0.26 118.70 120.54 1ufr s GLU 6 Ca 0.08 0.39 0.29 0.00 0.36 0.00 0.00 54.97 56.09 1ufr s GLU 6 Cb -0.01 -3.70 1.19 0.00 0.26 0.00 0.00 34.13 31.87 1ufr s GLU 6 CO -0.06 -0.51 1.86 1.28 -0.54 0.00 0.00 175.26 177.29 1ufr n LEU 7 N 5.81 0.20 -4.12 2.70 4.77 0.11 -4.95 117.00 121.53 1ufr n LEU 7 Ca -0.01 0.25 -0.13 0.00 -0.03 0.00 0.00 56.01 56.08 1ufr n LEU 7 Cb 0.49 -0.33 -0.06 0.00 -2.33 0.00 0.00 43.42 41.18 1ufr n LEU 7 CO 0.45 0.04 0.03 0.54 -1.33 0.00 0.00 177.39 177.11 1ufr s ASN 9 N -2.77 0.59 0.16 -1.43 2.20 -1.26 -4.96 114.94 107.47 1ufr s ASN 9 Ca 0.21 -1.37 -0.23 0.00 -0.94 0.00 0.00 52.86 50.53 1ufr s ASN 9 Cb 0.19 0.56 0.05 0.00 -2.00 0.00 0.00 41.25 40.06 1ufr s ASN 9 CO 0.53 -1.12 1.60 0.00 -2.94 0.00 0.00 177.10 175.17 1ufr h ALA 10 N 2.27 -0.19 -0.64 3.54 0.00 -1.96 -2.45 119.26 119.83 1ufr h ALA 10 Ca -0.29 0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.78 1ufr h ALA 10 Cb 1.24 0.68 -0.06 0.00 0.00 0.00 0.00 17.79 19.65 1ufr h ALA 10 CO 0.41 -0.72 0.32 -1.35 0.00 0.00 0.00 179.25 177.91 1ufr h PRO 11 N -0.26 0.57 -0.73 0.00 0.11 -2.06 -0.89 132.00 128.74 1ufr h PRO 11 Ca 0.16 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1ufr h PRO 11 Cb 0.53 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.51 1ufr h PRO 11 CO -0.51 0.38 0.00 0.39 -0.21 0.00 0.00 178.00 178.04 1ufr n GLU 12 N -4.86 0.12 0.00 1.05 1.02 -0.92 -1.40 120.64 115.65 1ufr n GLU 12 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1ufr n GLU 12 Cb 0.21 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 1ufr n GLU 12 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1ufr n ARG 14 N 0.61 0.00 -0.14 3.49 0.63 -0.34 -1.88 116.66 119.04 1ufr n ARG 14 Ca 0.00 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.85 1ufr n ARG 14 Cb 0.04 0.00 0.01 0.00 0.45 0.00 0.00 32.46 32.96 1ufr n ARG 14 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1ufr h ARG 15 N 0.00 0.56 -0.48 -0.14 2.43 -1.49 -1.35 114.38 113.90 1ufr h ARG 15 Ca 0.00 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.09 1ufr h ARG 15 Cb 0.00 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 1ufr h ARG 15 CO 0.00 0.37 0.12 0.00 -1.51 0.00 0.00 179.97 178.95 1ufr h ALA 16 N 1.16 0.64 -0.02 2.80 0.00 -1.63 -2.16 119.26 120.04 1ufr h ALA 16 Ca 0.16 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1ufr h ALA 16 Cb -0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1ufr h ALA 16 CO -0.04 0.33 -0.20 -0.07 0.00 0.00 0.00 179.25 179.27 1ufr h LEU 17 N 0.66 0.03 -0.32 0.00 3.38 -1.76 0.07 115.31 117.36 1ufr h LEU 17 Ca 0.15 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.94 1ufr h LEU 17 Cb 0.33 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1ufr h LEU 17 CO 0.00 0.24 -0.49 1.88 0.09 0.00 0.00 178.44 180.16 1ufr h TYR 18 N 0.03 1.12 -0.33 1.13 -1.99 -0.90 -0.91 116.97 115.12 1ufr h TYR 18 Ca 0.01 -0.38 -0.02 0.00 2.00 0.00 0.00 58.73 60.33 1ufr h TYR 18 Cb 0.38 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 38.88 1ufr h TYR 18 CO 0.00 1.21 0.12 -0.09 -0.00 0.00 0.00 178.16 179.40 1ufr h ARG 19 N 0.70 0.51 -0.14 4.88 2.43 -0.74 -1.18 114.38 120.85 1ufr h ARG 19 Ca 0.03 -0.10 0.04 0.00 -0.81 0.00 0.00 59.98 59.14 1ufr h ARG 19 Cb 1.10 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 30.52 1ufr h ARG 19 CO 0.11 0.53 -0.18 0.82 -1.51 0.00 0.00 179.97 179.75 1ufr h ILE 20 N 0.38 0.54 -0.45 1.20 1.08 -0.90 0.16 117.51 119.53 1ufr h ILE 20 Ca 0.11 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.67 1ufr h ILE 20 Cb 0.22 0.54 -0.09 0.00 -3.07 0.00 0.00 36.82 34.42 1ufr h ILE 20 CO -0.01 0.00 -0.20 0.00 -0.69 0.00 0.00 178.15 177.25 1ufr h ALA 21 N 0.82 0.13 0.26 1.87 0.00 -0.81 0.67 119.26 122.19 1ufr h ALA 21 Ca 0.10 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1ufr h ALA 21 Cb 0.36 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1ufr h ALA 21 CO -0.27 -0.55 -0.12 0.45 0.00 0.00 0.00 179.25 178.76 1ufr h HIS 22 N -0.11 -0.32 -0.96 0.00 3.86 -0.68 -2.42 115.15 114.51 1ufr h HIS 22 Ca 0.21 -0.01 0.18 0.00 -1.16 0.00 0.00 60.37 59.59 1ufr h HIS 22 Cb 0.44 0.11 -0.09 0.00 1.06 0.00 0.00 27.41 28.93 1ufr h HIS 22 CO -0.46 -0.10 0.61 0.93 0.86 0.00 0.00 177.93 179.76 1ufr h GLU 23 N -0.48 0.68 0.18 2.45 5.08 -0.24 0.15 114.58 122.40 1ufr h GLU 23 Ca -0.04 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1ufr h GLU 23 Cb 0.36 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1ufr h GLU 23 CO 0.06 0.45 -0.09 0.82 -1.00 0.00 0.00 179.01 179.25 1ufr h ILE 24 N 0.70 0.90 -0.32 3.13 2.04 -0.63 -0.55 117.51 122.78 1ufr h ILE 24 Ca 0.52 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 66.03 1ufr h ILE 24 Cb 0.88 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 1ufr h ILE 24 CO -0.28 0.08 0.18 0.58 0.00 0.00 0.00 178.15 178.71 1ufr h VAL 25 N -0.41 1.12 -0.82 1.67 2.07 -0.81 -0.54 116.25 118.52 1ufr h VAL 25 Ca -0.02 -0.29 0.09 0.00 0.82 0.00 0.00 66.70 67.29 1ufr h VAL 25 Cb 0.32 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 30.76 1ufr h VAL 25 CO 0.04 0.12 0.48 -0.33 0.02 0.00 0.00 177.57 177.90 1ufr h GLU 26 N 0.40 0.79 -0.67 1.57 5.08 -0.70 0.19 114.58 121.25 1ufr h GLU 26 Ca 0.11 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 1ufr h GLU 26 Cb 0.03 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 1ufr h GLU 26 CO -0.02 0.52 0.12 0.00 -1.00 0.00 0.00 179.01 178.63 1ufr h ALA 27 N 1.44 0.89 -0.15 3.43 0.00 -0.36 -2.41 119.26 122.10 1ufr h ALA 27 Ca 0.39 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ufr h ALA 27 Cb 0.33 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1ufr h ALA 27 CO -0.23 0.65 0.00 -1.71 0.00 0.00 0.00 179.25 177.96 1ufr n ASN 28 N -4.23 1.39 -2.89 0.00 4.05 -0.28 -4.89 115.26 108.41 1ufr n ASN 28 Ca 0.04 -1.69 -0.19 0.00 0.45 0.00 0.00 54.58 53.19 1ufr n ASN 28 Cb 0.29 -0.10 0.00 0.00 1.23 0.00 0.00 39.78 41.20 1ufr n ASN 28 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1ufr n LYS 29 N 0.15 -3.14 0.00 1.20 4.76 0.58 -4.66 118.16 117.04 1ufr n LYS 29 Ca 0.15 0.64 0.00 0.00 -2.87 0.00 0.00 58.31 56.23 1ufr n LYS 29 Cb 0.28 -5.33 0.00 0.00 -1.84 0.00 0.00 35.03 28.13 1ufr n LYS 29 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ufr n GLY 30 N -1.09 0.94 0.00 0.72 0.00 -0.55 -4.87 105.19 100.33 1ufr n GLY 30 Ca -0.10 -1.93 0.09 0.00 0.00 0.00 0.00 46.02 44.08 1ufr n GLY 30 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ufr n THR 31 N 8.23 0.00 -1.68 2.61 -1.04 -1.26 -4.69 114.28 116.44 1ufr n THR 31 Ca 0.00 -0.10 -0.56 0.00 -2.04 0.00 0.00 64.05 61.35 1ufr n THR 31 Cb 0.00 0.91 -0.07 0.00 -1.82 0.00 0.00 70.33 69.35 1ufr n THR 31 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1ufr n GLU 32 N -1.51 1.11 -1.48 -2.82 0.00 -1.26 -1.16 120.64 113.53 1ufr n GLU 32 Ca 0.03 0.41 -0.15 0.00 0.00 0.00 0.00 57.16 57.44 1ufr n GLU 32 Cb 0.31 -2.07 -0.06 0.00 0.00 0.00 0.00 31.44 29.62 1ufr n GLU 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ufr n GLY 33 N 3.71 1.34 3.79 8.31 0.00 -1.26 -4.74 105.19 116.34 1ufr n GLY 33 Ca 0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 1ufr n GLY 33 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ufr s LEU 34 N -4.06 4.53 -0.10 0.99 2.96 -0.31 0.20 118.68 122.90 1ufr s LEU 34 Ca 0.00 1.38 -0.22 0.00 -0.22 0.00 0.00 54.13 55.07 1ufr s LEU 34 Cb 0.00 -3.05 0.05 0.00 0.50 0.00 0.00 46.19 43.69 1ufr s LEU 34 CO 0.00 0.21 0.53 0.00 -1.32 0.00 0.00 176.35 175.77 1ufr s ALA 35 N -0.92 -1.34 0.07 5.97 0.00 -0.48 -4.28 121.76 120.78 1ufr s ALA 35 Ca 0.32 1.12 0.05 0.00 0.00 0.00 0.00 51.96 53.44 1ufr s ALA 35 Cb -0.21 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 1ufr s ALA 35 CO 0.21 -0.30 -0.03 -0.51 0.00 0.00 0.00 175.76 175.14 1ufr s LEU 36 N -0.70 3.35 -0.11 0.00 1.43 -0.37 -0.56 118.68 121.72 1ufr s LEU 36 Ca -0.08 -0.19 -0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1ufr s LEU 36 Cb -0.03 -2.06 0.03 0.00 0.03 0.00 0.00 46.19 44.17 1ufr s LEU 36 CO 0.05 0.20 -0.01 -0.69 0.23 0.00 0.00 176.35 176.13 1ufr s VAL 37 N -1.22 0.61 0.13 -1.59 1.01 -0.00 0.74 120.40 120.06 1ufr s VAL 37 Ca 0.23 -0.16 -0.17 0.00 0.00 0.00 0.00 61.98 61.88 1ufr s VAL 37 Cb -0.11 -0.80 -0.07 0.00 0.00 0.00 0.00 36.38 35.39 1ufr s VAL 37 CO 0.15 0.18 0.58 -0.83 0.00 0.00 0.00 175.10 175.18 1ufr s GLY 38 N 1.87 2.56 0.30 4.51 0.00 0.18 -0.41 107.32 116.32 1ufr s GLY 38 Ca 0.03 -0.03 0.04 0.00 0.00 0.00 0.00 44.72 44.77 1ufr s GLY 38 CO -0.07 0.31 0.16 0.29 0.00 0.00 0.00 173.10 173.79 1ufr n ILE 39 N 1.11 0.00 -4.20 0.90 -5.35 -0.54 -1.30 119.36 109.98 1ufr n ILE 39 Ca -0.07 -1.90 -0.34 0.00 -0.27 0.00 0.00 62.75 60.16 1ufr n ILE 39 Cb 0.51 0.79 -0.03 0.00 -1.74 0.00 0.00 39.64 39.17 1ufr n ILE 39 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 1ufr n HIS 40 N -0.64 -1.65 0.00 4.28 -0.00 -1.10 -1.89 115.22 114.21 1ufr n HIS 40 Ca -0.00 0.77 0.00 0.00 -0.00 0.00 0.00 57.72 58.49 1ufr n HIS 40 Cb 0.48 -3.01 0.00 0.00 -0.00 0.00 0.00 29.99 27.46 1ufr n HIS 40 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 1ufr n THR 41 N -4.38 0.00 0.85 3.57 -1.04 -1.26 -3.91 114.28 108.11 1ufr n THR 41 Ca -0.02 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.07 1ufr n THR 41 Cb 0.54 0.00 0.43 0.00 -1.82 0.00 0.00 70.33 69.48 1ufr n THR 41 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1ufr n ARG 42 N 0.00 0.32 0.13 -2.82 1.74 -1.26 -2.29 116.66 112.48 1ufr n ARG 42 Ca 0.00 0.09 -0.01 0.00 -0.77 0.00 0.00 57.85 57.16 1ufr n ARG 42 Cb 0.00 -1.50 0.11 0.00 -1.02 0.00 0.00 32.46 30.05 1ufr n ARG 42 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1ufr h GLY 43 N 2.63 0.00 0.98 -0.13 0.00 -1.49 -3.02 103.07 102.03 1ufr h GLY 43 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1ufr h GLY 43 CO 0.00 0.00 -0.26 -2.22 0.00 0.00 0.00 176.54 174.06 1ufr h ILE 44 N 0.00 0.46 -0.68 2.60 5.03 -1.56 0.82 117.51 124.19 1ufr h ILE 44 Ca -0.01 -0.06 0.06 0.00 -0.12 0.00 0.00 64.86 64.73 1ufr h ILE 44 Cb 1.27 0.48 -0.05 0.00 -3.03 0.00 0.00 36.82 35.50 1ufr h ILE 44 CO 0.09 0.01 0.38 -0.65 -0.68 0.00 0.00 178.15 177.30 1ufr h PRO 45 N -0.77 0.68 -0.83 2.37 0.11 -1.73 -1.57 132.00 130.26 1ufr h PRO 45 Ca -0.07 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.00 1ufr h PRO 45 Cb 0.58 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.49 1ufr h PRO 45 CO 0.12 0.45 0.55 -0.07 -0.21 0.00 0.00 178.00 178.84 1ufr h LEU 46 N 0.70 0.96 -0.11 2.35 3.38 -1.38 -1.53 115.31 119.68 1ufr h LEU 46 Ca 0.30 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 1ufr h LEU 46 Cb 0.18 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1ufr h LEU 46 CO -0.18 0.70 0.05 0.00 0.09 0.00 0.00 178.44 179.10 1ufr h ALA 47 N 1.47 0.14 -0.95 1.53 0.00 0.11 -0.82 119.26 120.74 1ufr h ALA 47 Ca 0.31 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.21 1ufr h ALA 47 Cb -0.12 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.55 1ufr h ALA 47 CO -0.06 -0.28 0.60 0.45 0.00 0.00 0.00 179.25 179.95 1ufr h HIS 48 N 0.03 1.10 -0.39 0.00 3.86 -0.88 0.42 115.15 119.30 1ufr h HIS 48 Ca 0.04 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.20 1ufr h HIS 48 Cb 0.15 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.25 1ufr h HIS 48 CO -0.02 0.51 -0.08 0.00 0.86 0.00 0.00 177.93 179.20 1ufr h ARG 49 N 1.03 0.74 -0.93 2.45 3.08 -1.05 -0.00 114.38 119.70 1ufr h ARG 49 Ca 0.44 -0.28 0.01 0.00 0.07 0.00 0.00 59.98 60.22 1ufr h ARG 49 Cb 0.30 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 1ufr h ARG 49 CO -0.21 0.87 0.62 0.82 -1.07 0.00 0.00 179.97 181.00 1ufr h ILE 50 N 0.55 1.23 -0.58 2.04 2.04 -0.19 -0.13 117.51 122.46 1ufr h ILE 50 Ca 0.10 -0.43 -0.10 0.00 1.00 0.00 0.00 64.86 65.44 1ufr h ILE 50 Cb 0.59 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 1ufr h ILE 50 CO 0.04 0.23 -0.02 0.00 0.00 0.00 0.00 178.15 178.40 1ufr h ALA 51 N 1.35 0.86 -0.41 1.87 0.00 -0.74 -0.55 119.26 121.64 1ufr h ALA 51 Ca 0.35 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ufr h ALA 51 Cb -0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1ufr h ALA 51 CO -0.08 0.66 0.26 -0.09 0.00 0.00 0.00 179.25 180.00 1ufr h ARG 52 N 0.94 0.54 -0.44 0.00 2.43 -0.13 -1.71 114.38 116.01 1ufr h ARG 52 Ca 0.16 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.18 1ufr h ARG 52 Cb 0.57 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1ufr h ARG 52 CO 0.03 0.37 -0.21 0.74 -1.51 0.00 0.00 179.97 179.39 1ufr h PHE 53 N 0.54 1.01 -0.07 2.20 0.04 -0.75 -1.91 116.94 118.00 1ufr h PHE 53 Ca 0.15 -0.23 0.00 0.00 2.80 0.00 0.00 57.97 60.68 1ufr h PHE 53 Cb -0.04 -0.24 -0.00 0.00 2.20 0.00 0.00 35.95 37.86 1ufr h PHE 53 CO -0.04 1.01 0.04 0.82 -0.60 0.00 0.00 178.31 179.54 1ufr h ILE 54 N 0.77 1.04 -0.13 -0.55 2.04 -0.80 -2.09 117.51 117.79 1ufr h ILE 54 Ca 0.11 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 1ufr h ILE 54 Cb 0.75 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 1ufr h ILE 54 CO 0.06 0.03 0.03 0.00 0.00 0.00 0.00 178.15 178.27 1ufr h ALA 55 N 1.00 1.81 -0.09 1.87 0.00 -1.26 0.42 119.26 123.02 1ufr h ALA 55 Ca 0.03 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1ufr h ALA 55 Cb 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1ufr h ALA 55 CO -0.01 0.15 -0.24 1.49 0.00 0.00 0.00 179.25 180.65 1ufr h GLU 56 N 0.18 0.16 0.00 0.00 4.81 -0.66 -0.29 114.58 118.78 1ufr h GLU 56 Ca 0.05 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ufr h GLU 56 Cb 0.08 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1ufr h GLU 56 CO -0.00 0.40 0.00 1.97 -0.73 0.00 0.00 179.01 180.65 1ufr n PHE 57 N -4.20 0.00 -0.00 0.92 1.16 -0.84 -4.69 117.46 109.81 1ufr n PHE 57 Ca -0.01 -0.20 -0.00 0.00 -1.87 0.00 0.00 57.45 55.37 1ufr n PHE 57 Cb 0.33 -0.02 -0.00 0.00 -1.61 0.00 0.00 39.48 38.18 1ufr n PHE 57 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 1ufr n GLU 58 N -0.20 2.89 0.00 3.97 4.07 0.14 -5.06 120.64 126.45 1ufr n GLU 58 Ca 0.00 -0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1ufr n GLU 58 Cb 0.13 -1.00 0.00 0.00 -0.06 0.00 0.00 31.44 30.51 1ufr n GLU 58 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ufr n GLY 59 N 2.86 1.86 3.73 8.31 0.00 -0.12 -4.99 105.19 116.83 1ufr n GLY 59 Ca -0.00 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 1ufr n GLY 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ufr s LYS 60 N 0.00 2.19 -0.02 1.61 0.00 -1.26 -4.76 119.74 117.50 1ufr s LYS 60 Ca 0.00 1.57 -0.10 0.00 0.00 0.00 0.00 55.97 57.44 1ufr s LYS 60 Cb 0.00 -1.86 -0.05 0.00 0.00 0.00 0.00 37.83 35.92 1ufr s LYS 60 CO 0.00 -1.75 0.30 -2.00 0.00 0.00 0.00 175.35 171.89 1ufr s GLU 61 N -4.16 3.68 -0.19 1.78 2.12 -1.26 -3.93 118.70 116.73 1ufr s GLU 61 Ca 0.70 0.11 -0.07 0.00 0.36 0.00 0.00 54.97 56.07 1ufr s GLU 61 Cb -0.25 -3.15 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 1ufr s GLU 61 CO 0.47 0.69 0.04 0.08 -0.54 0.00 0.00 175.26 176.00 1ufr s VAL 62 N -1.16 4.49 0.38 3.70 1.01 -1.26 -5.07 120.40 122.49 1ufr s VAL 62 Ca 0.23 -0.13 -0.28 0.00 0.00 0.00 0.00 61.98 61.80 1ufr s VAL 62 Cb -0.14 -3.03 -0.10 0.00 0.00 0.00 0.00 36.38 33.10 1ufr s VAL 62 CO 0.12 0.44 1.42 -2.84 0.00 0.00 0.00 175.10 174.23 1ufr s PRO 63 N 0.67 4.12 -0.19 2.72 0.02 -1.26 -4.84 135.00 136.23 1ufr s PRO 63 Ca 0.02 2.42 0.01 0.00 0.02 0.00 0.00 61.00 63.48 1ufr s PRO 63 Cb -0.13 -2.94 0.03 0.00 0.02 0.00 0.00 34.50 31.47 1ufr s PRO 63 CO 0.02 -0.47 -0.17 0.08 -0.33 0.00 0.00 177.00 176.13 1ufr s VAL 64 N -1.15 2.01 0.35 3.83 1.01 -1.26 -1.23 120.40 123.97 1ufr s VAL 64 Ca 0.53 -1.06 0.06 0.00 0.00 0.00 0.00 61.98 61.51 1ufr s VAL 64 Cb -0.44 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 1ufr s VAL 64 CO 0.58 0.39 0.50 -0.83 0.00 0.00 0.00 175.10 175.75 1ufr s GLY 65 N 1.27 1.61 -0.04 4.51 0.00 0.23 -4.90 107.32 110.01 1ufr s GLY 65 Ca 0.02 -1.43 0.04 0.00 0.00 0.00 0.00 44.72 43.35 1ufr s GLY 65 CO -0.11 -1.33 -0.16 0.14 0.00 0.00 0.00 173.10 171.64 1ufr s VAL 66 N -2.22 1.34 -0.42 1.40 1.01 0.12 -0.65 120.40 120.98 1ufr s VAL 66 Ca 0.46 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.83 1ufr s VAL 66 Cb -0.10 -1.15 0.23 0.00 0.00 0.00 0.00 36.38 35.37 1ufr s VAL 66 CO 0.32 0.39 0.60 -0.11 0.00 0.00 0.00 175.10 176.30 1ufr n LEU 67 N 3.08 -0.89 -4.58 3.92 7.94 -0.42 -0.28 117.00 125.77 1ufr n LEU 67 Ca -0.18 -4.20 -0.28 0.00 -1.11 0.00 0.00 56.01 50.24 1ufr n LEU 67 Cb 0.53 0.69 -0.06 0.00 0.53 0.00 0.00 43.42 45.11 1ufr n LEU 67 CO 0.25 2.02 1.48 -0.62 -1.11 0.00 0.00 177.39 179.41 1ufr s ASP 68 N -1.06 5.00 -0.04 1.96 -1.08 -0.92 -4.21 116.67 116.33 1ufr s ASP 68 Ca 0.34 -1.57 -0.00 0.00 -0.52 0.00 0.00 52.55 50.79 1ufr s ASP 68 Cb 0.16 -2.59 -0.03 0.00 -1.46 0.00 0.00 42.92 39.00 1ufr s ASP 68 CO -0.15 -3.10 0.01 -0.51 0.52 0.00 0.00 175.17 171.94 1ufr s ILE 69 N 11.10 4.28 -0.03 4.11 2.07 -1.26 -1.28 121.20 140.19 1ufr s ILE 69 Ca 0.69 -0.42 -0.11 0.00 -1.41 0.00 0.00 60.65 59.40 1ufr s ILE 69 Cb -0.01 -2.86 0.02 0.00 0.13 0.00 0.00 42.46 39.73 1ufr s ILE 69 CO 0.12 0.48 0.25 -0.89 -1.91 0.00 0.00 174.94 173.00 1ufr s THR 70 N -1.00 0.05 -0.18 4.00 2.01 0.35 -2.72 115.64 118.15 1ufr s THR 70 Ca 0.17 -0.44 -0.06 0.00 0.31 0.00 0.00 61.69 61.67 1ufr s THR 70 Cb -0.11 -0.51 -0.03 0.00 0.01 0.00 0.00 72.50 71.85 1ufr s THR 70 CO 0.07 -0.24 0.01 -0.76 -0.69 0.00 0.00 174.62 173.01 1ufr s LEU 71 N -1.04 3.48 -1.27 4.42 1.43 -1.26 0.87 118.68 125.31 1ufr s LEU 71 Ca -0.11 -0.07 -0.08 0.00 -1.03 0.00 0.00 54.13 52.84 1ufr s LEU 71 Cb -0.05 -1.87 0.17 0.00 0.03 0.00 0.00 46.19 44.47 1ufr s LEU 71 CO 0.03 0.14 1.93 -2.65 0.23 0.00 0.00 176.35 176.02 1ufr n PRO 83 N 3.76 3.86 -4.18 1.29 -0.02 -1.26 -5.17 135.00 133.28 1ufr n PRO 83 Ca -0.17 -3.60 -0.18 0.00 -2.02 0.00 0.00 63.50 57.53 1ufr n PRO 83 Cb 0.52 -2.84 -0.12 0.00 -0.02 0.00 0.00 33.50 31.04 1ufr n PRO 83 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1ufr s GLN 84 N -0.15 0.85 -0.03 -0.52 0.74 0.25 -5.14 119.66 115.65 1ufr s GLN 84 Ca 0.41 -1.00 -0.01 0.00 0.05 0.00 0.00 55.36 54.82 1ufr s GLN 84 Cb 0.11 -0.85 0.03 0.00 1.10 0.00 0.00 33.01 33.40 1ufr s GLN 84 CO -0.00 0.18 0.03 0.08 -0.55 0.00 0.00 175.29 175.03 1ufr s VAL 85 N -1.39 0.01 0.14 1.34 1.01 -1.24 0.13 120.40 120.40 1ufr s VAL 85 Ca -0.00 0.26 0.06 0.00 0.00 0.00 0.00 61.98 62.29 1ufr s VAL 85 Cb -0.09 -0.19 -0.19 0.00 0.00 0.00 0.00 36.38 35.91 1ufr s VAL 85 CO 0.02 0.15 1.32 0.03 0.00 0.00 0.00 175.10 176.62 1ufr h ARG 86 N 7.78 0.04 -1.72 2.72 3.08 -1.59 -3.47 114.38 121.23 1ufr h ARG 86 Ca -0.31 -0.06 0.06 0.00 0.07 0.00 0.00 59.98 59.74 1ufr h ARG 86 Cb 1.12 0.02 -0.25 0.00 0.08 0.00 0.00 29.97 30.95 1ufr h ARG 86 CO 0.34 0.97 0.29 -2.00 -1.07 0.00 0.00 179.97 178.50 1ufr s GLU 87 N -2.86 0.55 -0.17 0.04 2.12 -1.26 -5.05 118.70 112.06 1ufr s GLU 87 Ca -0.00 0.81 0.01 0.00 0.36 0.00 0.00 54.97 56.15 1ufr s GLU 87 Cb 0.10 0.18 0.03 0.00 0.26 0.00 0.00 34.13 34.70 1ufr s GLU 87 CO 0.82 -0.09 -0.16 0.99 -0.54 0.00 0.00 175.26 176.28 1ufr s THR 88 N 0.97 1.78 -0.22 -1.70 2.01 -1.26 -2.16 115.64 115.06 1ufr s THR 88 Ca -0.05 -0.84 -0.03 0.00 0.31 0.00 0.00 61.69 61.09 1ufr s THR 88 Cb -0.05 -1.68 0.07 0.00 0.01 0.00 0.00 72.50 70.85 1ufr s THR 88 CO -0.12 0.43 0.06 -0.13 -0.69 0.00 0.00 174.62 174.17 1ufr s ARG 89 N 1.39 0.58 -0.51 4.92 0.52 0.61 -4.99 118.95 121.48 1ufr s ARG 89 Ca 0.04 -0.51 0.03 0.00 -0.52 0.00 0.00 55.73 54.77 1ufr s ARG 89 Cb -0.14 -2.00 0.15 0.00 0.52 0.00 0.00 34.95 33.48 1ufr s ARG 89 CO -0.11 -0.73 0.31 0.42 0.02 0.00 0.00 175.30 175.21 1ufr s ILE 90 N 1.86 1.81 -0.60 1.52 1.01 -1.26 0.13 121.20 125.66 1ufr s ILE 90 Ca 0.02 -3.07 0.00 0.00 0.00 0.00 0.00 60.65 57.59 1ufr s ILE 90 Cb -0.17 -2.24 0.00 0.00 0.01 0.00 0.00 42.46 40.06 1ufr s ILE 90 CO -0.13 -0.94 0.18 -2.65 0.00 0.00 0.00 174.94 171.39 1ufr n PRO 91 N 3.04 0.25 -3.93 2.79 -0.02 -1.26 -4.77 135.00 131.11 1ufr n PRO 91 Ca 0.13 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.52 1ufr n PRO 91 Cb 0.36 -1.22 -0.03 0.00 -0.02 0.00 0.00 33.50 32.58 1ufr n PRO 91 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1ufr s PHE 92 N -0.31 0.16 -0.27 6.00 -0.12 -1.26 -5.13 117.98 117.05 1ufr s PHE 92 Ca 0.00 -0.59 -0.22 0.00 -0.05 0.00 0.00 56.93 56.07 1ufr s PHE 92 Cb 0.00 0.46 -0.01 0.00 -0.63 0.00 0.00 43.02 42.83 1ufr s PHE 92 CO 0.00 -1.17 0.70 0.34 -0.05 0.00 0.00 175.22 175.04 1ufr s ASP 93 N -3.00 6.63 0.46 1.98 -1.08 -1.26 -4.94 116.67 115.45 1ufr s ASP 93 Ca 0.18 0.71 0.24 0.00 -0.52 0.00 0.00 52.55 53.16 1ufr s ASP 93 Cb -0.03 -2.37 1.05 0.00 -1.46 0.00 0.00 42.92 40.11 1ufr s ASP 93 CO 0.09 -0.46 1.89 -0.07 0.52 0.00 0.00 175.17 177.14 1ufr h LEU 94 N 9.12 0.00 -9.59 -1.34 3.38 -1.95 -3.43 115.31 111.49 1ufr h LEU 94 Ca -0.26 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.16 1ufr h LEU 94 Cb 1.11 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.92 1ufr h LEU 94 CO 0.82 0.21 0.91 0.41 0.09 0.00 0.00 178.44 180.88 1ufr n THR 95 N -3.49 0.02 -0.06 0.22 -1.04 -1.26 -2.20 114.28 106.48 1ufr n THR 95 Ca -0.01 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1ufr n THR 95 Cb 0.38 -1.78 0.00 0.00 -1.82 0.00 0.00 70.33 67.11 1ufr n THR 95 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ufr n GLY 96 N 3.68 1.96 3.89 3.41 0.00 0.12 -4.86 105.19 113.39 1ufr n GLY 96 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1ufr n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ufr s LYS 97 N -0.02 3.29 -0.46 1.61 1.02 -0.93 -3.66 119.74 120.58 1ufr s LYS 97 Ca 0.00 0.40 -0.17 0.00 0.02 0.00 0.00 55.97 56.22 1ufr s LYS 97 Cb 0.00 -2.18 0.05 0.00 -0.52 0.00 0.00 37.83 35.18 1ufr s LYS 97 CO 0.00 -0.60 0.46 0.00 -0.92 0.00 0.00 175.35 174.28 1ufr s ALA 98 N -3.07 3.47 -0.20 5.17 0.00 0.13 0.40 121.76 127.66 1ufr s ALA 98 Ca 0.54 -1.82 -0.08 0.00 0.00 0.00 0.00 51.96 50.59 1ufr s ALA 98 Cb -0.11 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 1ufr s ALA 98 CO 0.49 -1.74 0.09 0.42 0.00 0.00 0.00 175.76 175.02 1ufr s ILE 99 N 2.04 4.86 -0.31 0.00 -1.09 -0.04 -1.38 121.20 125.28 1ufr s ILE 99 Ca 0.09 -0.00 -0.06 0.00 -2.23 0.00 0.00 60.65 58.45 1ufr s ILE 99 Cb -0.21 -3.22 0.03 0.00 -1.58 0.00 0.00 42.46 37.48 1ufr s ILE 99 CO 0.10 0.42 0.08 -0.69 -1.23 0.00 0.00 174.94 173.62 1ufr s VAL 100 N 0.68 3.77 0.06 2.92 1.01 0.28 0.13 120.40 129.24 1ufr s VAL 100 Ca 0.04 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 60.78 1ufr s VAL 100 Cb -0.13 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 1ufr s VAL 100 CO 0.02 -0.04 1.04 -0.76 0.00 0.00 0.00 175.10 175.36 1ufr s LEU 101 N 1.43 4.41 -0.19 3.92 1.43 -0.33 -0.82 118.68 128.54 1ufr s LEU 101 Ca 0.00 1.82 -0.01 0.00 -1.03 0.00 0.00 54.13 54.91 1ufr s LEU 101 Cb -0.18 -3.58 -0.00 0.00 0.03 0.00 0.00 46.19 42.46 1ufr s LEU 101 CO 0.02 -0.26 -0.11 -0.69 0.23 0.00 0.00 176.35 175.54 1ufr s VAL 102 N 0.66 2.88 0.07 -1.59 1.01 0.45 -0.15 120.40 123.73 1ufr s VAL 102 Ca 0.52 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.88 1ufr s VAL 102 Cb -0.24 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1ufr s VAL 102 CO 0.29 0.48 -0.15 -0.62 0.00 0.00 0.00 175.10 175.10 1ufr s ASP 103 N 1.16 1.83 -0.01 3.32 2.15 -0.10 -1.47 116.67 123.56 1ufr s ASP 103 Ca 0.01 -0.59 -0.21 0.00 0.43 0.00 0.00 52.55 52.20 1ufr s ASP 103 Cb -0.14 -0.08 -0.24 0.00 -0.30 0.00 0.00 42.92 42.15 1ufr s ASP 103 CO -0.04 -0.03 1.06 -2.24 -0.17 0.00 0.00 175.17 173.76 1ufr h ASP 104 N 4.41 0.49 -3.48 -0.34 2.03 -1.84 -2.50 116.42 115.19 1ufr h ASP 104 Ca -0.41 -0.79 -0.36 0.00 -0.73 0.00 0.00 57.03 54.74 1ufr h ASP 104 Cb 1.19 -0.15 -0.34 0.00 -0.83 0.00 0.00 39.33 39.19 1ufr h ASP 104 CO 0.41 1.22 -0.75 -0.69 -1.03 0.00 0.00 179.24 178.39 1ufr s VAL 105 N -3.09 0.25 -0.29 4.15 1.01 -1.26 -1.09 120.40 120.07 1ufr s VAL 105 Ca -0.14 0.05 -0.12 0.00 0.00 0.00 0.00 61.98 61.78 1ufr s VAL 105 Cb 0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 36.03 1ufr s VAL 105 CO 0.81 0.16 0.21 -0.22 0.00 0.00 0.00 175.10 176.07 1ufr s LEU 106 N 1.06 4.13 0.00 3.92 2.96 -0.19 -5.00 118.68 125.55 1ufr s LEU 106 Ca -0.09 -0.08 0.00 0.00 -0.22 0.00 0.00 54.13 53.74 1ufr s LEU 106 Cb -0.14 -2.15 0.00 0.00 0.50 0.00 0.00 46.19 44.41 1ufr s LEU 106 CO -0.02 -0.10 0.00 0.00 -1.32 0.00 0.00 176.35 174.92 1ufr n TYR 107 N 5.09 0.00 0.42 5.38 9.36 -1.26 -1.86 117.16 134.29 1ufr n TYR 107 Ca -0.13 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.22 1ufr n TYR 107 Cb 0.51 0.00 0.49 0.00 -0.63 0.00 0.00 39.34 39.71 1ufr n TYR 107 CO 0.00 0.00 0.00 1.79 0.22 0.00 0.00 176.86 178.87 1ufr h THR 108 N 0.00 0.00 0.00 2.97 1.35 -1.77 -3.31 112.91 112.15 1ufr h THR 108 Ca 0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 1ufr h THR 108 Cb 0.00 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 1ufr h THR 108 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1ufr n GLY 109 N 0.33 1.33 0.28 5.82 0.00 -1.26 -0.81 105.19 110.88 1ufr n GLY 109 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 1ufr n GLY 109 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ufr h ARG 110 N 3.12 0.61 -0.10 1.61 3.08 -1.96 0.54 114.38 121.30 1ufr h ARG 110 Ca 0.00 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 1ufr h ARG 110 Cb 0.00 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 1ufr h ARG 110 CO 0.00 0.63 -0.06 1.15 -1.07 0.00 0.00 179.97 180.63 1ufr h THR 111 N 0.58 1.33 -0.39 2.04 2.02 -1.98 -1.22 112.91 115.29 1ufr h THR 111 Ca 0.12 -1.10 0.03 0.00 0.77 0.00 0.00 66.41 66.23 1ufr h THR 111 Cb 0.37 1.85 -0.03 0.00 -1.74 0.00 0.00 68.15 68.59 1ufr h THR 111 CO 0.01 0.31 0.18 0.00 0.37 0.00 0.00 175.52 176.40 1ufr h ALA 112 N 0.63 0.48 -0.55 6.16 0.00 -1.91 -1.06 119.26 123.00 1ufr h ALA 112 Ca 0.02 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1ufr h ALA 112 Cb 0.52 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1ufr h ALA 112 CO 0.02 -0.19 0.32 -0.09 0.00 0.00 0.00 179.25 179.31 1ufr h ARG 113 N 0.38 0.61 -0.71 0.00 1.12 -0.82 0.11 114.38 115.07 1ufr h ARG 113 Ca 0.17 -0.04 -0.00 0.00 -1.11 0.00 0.00 59.98 59.00 1ufr h ARG 113 Cb 0.09 -0.14 -0.03 0.00 -0.01 0.00 0.00 29.97 29.88 1ufr h ARG 113 CO -0.13 0.40 0.44 0.00 -3.11 0.00 0.00 179.97 177.58 1ufr h ALA 114 N 1.26 1.44 -0.32 2.80 0.00 -0.67 0.94 119.26 124.72 1ufr h ALA 114 Ca 0.23 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1ufr h ALA 114 Cb 0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1ufr h ALA 114 CO -0.12 0.49 -0.23 0.00 0.00 0.00 0.00 179.25 179.40 1ufr h ALA 115 N 1.52 0.45 -0.75 0.00 0.00 -0.34 -1.80 119.26 118.34 1ufr h ALA 115 Ca 0.26 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1ufr h ALA 115 Cb -0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1ufr h ALA 115 CO -0.05 0.42 0.49 1.25 0.00 0.00 0.00 179.25 181.36 1ufr h LEU 116 N 0.47 0.83 0.02 0.00 5.85 -0.04 -0.66 115.31 121.78 1ufr h LEU 116 Ca 0.06 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1ufr h LEU 116 Cb 0.78 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1ufr h LEU 116 CO 0.06 0.59 -0.05 -0.78 -0.34 0.00 0.00 178.44 177.91 1ufr h ASP 117 N 0.98 -0.15 -0.43 1.25 3.58 -0.66 -2.29 116.42 118.71 1ufr h ASP 117 Ca 0.29 0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.78 1ufr h ASP 117 Cb -0.05 0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.03 1ufr h ASP 117 CO -0.08 -0.08 0.24 0.00 -2.88 0.00 0.00 179.24 176.43 1ufr h ALA 118 N 0.88 0.54 0.08 -0.78 0.00 -0.82 -2.29 119.26 116.87 1ufr h ALA 118 Ca 0.02 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1ufr h ALA 118 Cb 0.12 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1ufr h ALA 118 CO -0.05 -0.10 -0.25 -0.07 0.00 0.00 0.00 179.25 178.79 1ufr h LEU 119 N 0.48 -0.72 -2.19 0.00 3.38 -0.97 -2.25 115.31 113.04 1ufr h LEU 119 Ca 0.17 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.28 1ufr h LEU 119 Cb 0.04 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1ufr h LEU 119 CO -0.09 -0.33 0.16 0.40 0.09 0.00 0.00 178.44 178.66 1ufr h ILE 120 N -0.44 0.60 0.00 1.22 2.04 -1.21 0.31 117.51 120.04 1ufr h ILE 120 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1ufr h ILE 120 Cb 0.48 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1ufr h ILE 120 CO -0.17 0.00 0.00 0.47 0.00 0.00 0.00 178.15 178.45 1ufr n ASP 121 N -4.01 0.00 -0.00 1.72 8.00 -0.86 -3.50 116.55 117.90 1ufr n ASP 121 Ca 0.01 0.16 0.06 0.00 0.71 0.00 0.00 54.79 55.73 1ufr n ASP 121 Cb 0.29 -0.38 -0.07 0.00 -0.02 0.00 0.00 41.12 40.93 1ufr n ASP 121 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ufr n LEU 122 N -1.38 0.39 0.00 0.64 4.77 0.10 -5.09 117.00 116.42 1ufr n LEU 122 Ca 0.10 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 1ufr n LEU 122 Cb 0.27 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1ufr n LEU 122 CO 0.23 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1ufr n GLY 123 N 1.44 -1.64 2.85 -0.72 0.00 -0.91 -4.71 105.19 101.49 1ufr n GLY 123 Ca 0.01 -1.09 -0.29 0.00 0.00 0.00 0.00 46.02 44.65 1ufr n GLY 123 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ufr s ARG 124 N -1.82 1.90 0.70 1.61 1.81 -1.26 -4.28 118.95 117.62 1ufr s ARG 124 Ca 0.00 -2.66 -0.16 0.00 -1.72 0.00 0.00 55.73 51.19 1ufr s ARG 124 Cb 0.00 -3.03 0.02 0.00 -0.45 0.00 0.00 34.95 31.49 1ufr s ARG 124 CO 0.00 -1.18 1.24 -2.30 -0.68 0.00 0.00 175.30 172.38 1ufr n PRO 125 N 2.88 0.78 -0.11 3.54 -0.02 -1.22 -0.70 135.00 140.16 1ufr n PRO 125 Ca 0.11 0.33 -0.05 0.00 -2.02 0.00 0.00 63.50 61.88 1ufr n PRO 125 Cb 0.34 -2.48 0.16 0.00 -0.02 0.00 0.00 33.50 31.50 1ufr n PRO 125 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1ufr h ARG 126 N 0.03 0.79 -3.12 -0.52 2.43 -0.12 -3.42 114.38 110.45 1ufr h ARG 126 Ca -0.49 -0.22 -0.03 0.00 -0.81 0.00 0.00 59.98 58.43 1ufr h ARG 126 Cb 1.33 -0.09 -0.12 0.00 -0.42 0.00 0.00 29.97 30.67 1ufr h ARG 126 CO 0.50 0.81 0.12 0.50 -1.51 0.00 0.00 179.97 180.39 1ufr s ARG 127 N -4.97 1.22 -0.12 0.20 3.52 -1.10 -5.01 118.95 112.70 1ufr s ARG 127 Ca -0.09 -0.55 -0.03 0.00 -0.13 0.00 0.00 55.73 54.93 1ufr s ARG 127 Cb 0.15 0.55 0.04 0.00 -1.56 0.00 0.00 34.95 34.13 1ufr s ARG 127 CO 0.81 -0.52 0.04 0.42 -0.81 0.00 0.00 175.30 175.25 1ufr s ILE 128 N -3.77 0.19 0.34 4.11 1.01 -1.26 -0.86 121.20 120.97 1ufr s ILE 128 Ca 0.02 -0.05 0.06 0.00 0.00 0.00 0.00 60.65 60.68 1ufr s ILE 128 Cb -0.00 -0.58 -0.01 0.00 0.01 0.00 0.00 42.46 41.88 1ufr s ILE 128 CO -0.13 -0.01 0.48 -0.31 0.00 0.00 0.00 174.94 174.98 1ufr s TYR 129 N 2.03 3.11 -0.19 3.97 1.51 0.12 -4.98 117.35 122.91 1ufr s TYR 129 Ca 0.03 -0.21 -0.01 0.00 -1.01 0.00 0.00 57.07 55.87 1ufr s TYR 129 Cb -0.14 -2.02 0.05 0.00 -0.11 0.00 0.00 41.96 39.74 1ufr s TYR 129 CO -0.06 -0.04 -0.03 -1.17 -1.11 0.00 0.00 175.55 173.14 1ufr s LEU 130 N -4.19 1.77 -0.14 -1.29 2.96 -1.26 -1.18 118.68 115.35 1ufr s LEU 130 Ca 0.45 -0.83 -0.02 0.00 -0.22 0.00 0.00 54.13 53.51 1ufr s LEU 130 Cb -0.10 -0.91 -0.02 0.00 0.50 0.00 0.00 46.19 45.66 1ufr s LEU 130 CO 0.31 -0.23 -0.08 0.00 -1.32 0.00 0.00 176.35 175.04 1ufr s ALA 131 N 1.62 2.84 0.00 5.97 0.00 0.79 -0.28 121.76 132.71 1ufr s ALA 131 Ca -0.01 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.10 1ufr s ALA 131 Cb -0.17 -1.39 -0.00 0.00 0.00 0.00 0.00 23.12 21.56 1ufr s ALA 131 CO -0.07 0.26 -0.04 0.14 0.00 0.00 0.00 175.76 176.05 1ufr s VAL 132 N 0.25 0.29 0.06 0.00 -7.23 -0.42 -0.92 120.40 112.43 1ufr s VAL 132 Ca -0.05 -0.25 -0.24 0.00 -1.81 0.00 0.00 61.98 59.62 1ufr s VAL 132 Cb -0.15 -0.27 -0.17 0.00 0.56 0.00 0.00 36.38 36.36 1ufr s VAL 132 CO 0.04 0.02 1.59 0.25 -0.31 0.00 0.00 175.10 176.69 1ufr h LEU 133 N 5.89 -0.06 -7.95 1.32 5.85 -1.15 0.15 115.31 119.35 1ufr h LEU 133 Ca -0.27 -0.13 -0.30 0.00 0.84 0.00 0.00 57.88 58.02 1ufr h LEU 133 Cb 1.20 0.02 -0.26 0.00 0.37 0.00 0.00 40.66 41.98 1ufr h LEU 133 CO 0.49 0.09 -0.74 0.68 -0.34 0.00 0.00 178.44 178.62 1ufr s VAL 134 N -5.62 0.40 -0.29 1.05 -7.23 -0.25 -0.76 120.40 107.69 1ufr s VAL 134 Ca -0.14 -0.43 -0.01 0.00 -1.81 0.00 0.00 61.98 59.59 1ufr s VAL 134 Cb 0.05 -0.38 0.05 0.00 0.56 0.00 0.00 36.38 36.66 1ufr s VAL 134 CO 0.66 -0.03 -0.02 -0.62 -0.31 0.00 0.00 175.10 174.78 1ufr s ASP 135 N -0.50 4.82 -0.18 4.85 2.15 -0.92 -1.03 116.67 125.87 1ufr s ASP 135 Ca -0.02 -1.30 0.11 0.00 0.43 0.00 0.00 52.55 51.77 1ufr s ASP 135 Cb -0.04 -1.68 0.64 0.00 -0.30 0.00 0.00 42.92 41.53 1ufr s ASP 135 CO -0.00 -0.25 1.47 -2.11 -0.17 0.00 0.00 175.17 174.11 1ufr n ARG 136 N 4.59 3.98 0.00 4.34 1.85 -0.78 -1.16 116.66 129.48 1ufr n ARG 136 Ca -0.13 -2.44 0.00 0.00 -1.00 0.00 0.00 57.85 54.27 1ufr n ARG 136 Cb 0.43 -2.07 0.00 0.00 -1.05 0.00 0.00 32.46 29.77 1ufr n ARG 136 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ufr n GLY 137 N 0.53 -0.44 2.07 2.89 0.00 -1.26 -4.17 105.19 104.82 1ufr n GLY 137 Ca 0.22 -0.99 -0.07 0.00 0.00 0.00 0.00 46.02 45.17 1ufr n GLY 137 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ufr n HIS 138 N -1.09 -0.92 -1.87 1.61 -0.00 -1.26 -4.39 115.22 107.30 1ufr n HIS 138 Ca 0.00 0.35 -0.36 0.00 -0.00 0.00 0.00 57.72 57.71 1ufr n HIS 138 Cb 0.00 -2.78 0.05 0.00 -0.00 0.00 0.00 29.99 27.26 1ufr n HIS 138 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1ufr s ARG 139 N -4.99 2.75 0.00 -0.41 1.81 -1.25 -3.80 118.95 113.06 1ufr s ARG 139 Ca 0.11 1.89 0.00 0.00 -1.72 0.00 0.00 55.73 56.01 1ufr s ARG 139 Cb -0.05 -1.89 0.00 0.00 -0.45 0.00 0.00 34.95 32.56 1ufr s ARG 139 CO 0.26 -1.39 0.50 0.39 -0.68 0.00 0.00 175.30 174.38 1ufr n GLU 140 N -1.81 0.53 -3.87 3.54 1.02 0.01 -4.96 120.64 115.10 1ufr n GLU 140 Ca 0.14 -0.62 -0.09 0.00 -0.02 0.00 0.00 57.16 56.57 1ufr n GLU 140 Cb 0.49 -0.73 -0.08 0.00 -0.02 0.00 0.00 31.44 31.10 1ufr n GLU 140 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ufr s LEU 141 N -0.25 1.47 0.00 -4.62 1.43 -1.21 -5.03 118.68 110.48 1ufr s LEU 141 Ca 0.00 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 1ufr s LEU 141 Cb 0.00 0.95 0.00 0.00 0.03 0.00 0.00 46.19 47.17 1ufr s LEU 141 CO 0.00 -0.66 1.00 -2.65 0.23 0.00 0.00 176.35 174.27 1ufr n PRO 142 N 0.23 0.73 -3.55 1.29 -0.02 -1.26 -4.84 135.00 127.57 1ufr n PRO 142 Ca -0.16 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 60.97 1ufr n PRO 142 Cb 0.61 -1.14 -0.05 0.00 -0.02 0.00 0.00 33.50 32.90 1ufr n PRO 142 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1ufr s ILE 143 N 0.38 5.07 0.05 4.25 -1.09 -1.26 -5.10 121.20 123.50 1ufr s ILE 143 Ca 0.00 0.45 -0.08 0.00 -2.23 0.00 0.00 60.65 58.79 1ufr s ILE 143 Cb 0.00 -3.65 -0.00 0.00 -1.58 0.00 0.00 42.46 37.23 1ufr s ILE 143 CO 0.00 0.24 0.16 -0.13 -1.23 0.00 0.00 174.94 173.99 1ufr s ARG 144 N -2.02 0.70 -0.03 2.79 1.81 -1.26 -4.98 118.95 115.95 1ufr s ARG 144 Ca 0.35 -0.75 -0.18 0.00 -1.72 0.00 0.00 55.73 53.43 1ufr s ARG 144 Cb -0.14 0.28 -0.05 0.00 -0.45 0.00 0.00 34.95 34.59 1ufr s ARG 144 CO 0.19 -0.20 0.52 0.00 -0.68 0.00 0.00 175.30 175.13 1ufr s ALA 145 N -2.89 3.54 0.12 2.13 0.00 -1.26 -4.76 121.76 118.63 1ufr s ALA 145 Ca -0.03 -0.09 -0.07 0.00 0.00 0.00 0.00 51.96 51.77 1ufr s ALA 145 Cb 0.00 -2.63 -0.12 0.00 0.00 0.00 0.00 23.12 20.38 1ufr s ALA 145 CO -0.06 0.20 1.29 -0.44 0.00 0.00 0.00 175.76 176.76 1ufr h ASP 146 N 5.67 0.68 -3.84 0.00 3.32 -1.02 -3.44 116.42 117.78 1ufr h ASP 146 Ca -0.46 -0.52 -0.60 0.00 0.02 0.00 0.00 57.03 55.48 1ufr h ASP 146 Cb 1.20 -0.21 -0.32 0.00 0.22 0.00 0.00 39.33 40.23 1ufr h ASP 146 CO 0.69 1.31 -0.85 -0.36 -1.72 0.00 0.00 179.24 178.31 1ufr s PHE 147 N -3.39 1.95 -0.04 4.55 0.08 -0.88 -5.02 117.98 115.23 1ufr s PHE 147 Ca -0.07 -0.60 0.01 0.00 0.12 0.00 0.00 56.93 56.38 1ufr s PHE 147 Cb 0.09 -1.31 0.02 0.00 -0.57 0.00 0.00 43.02 41.25 1ufr s PHE 147 CO 0.88 -0.21 -0.03 0.08 -0.10 0.00 0.00 175.22 175.85 1ufr s VAL 148 N 0.06 0.39 0.01 -0.44 1.01 -1.26 -1.30 120.40 118.87 1ufr s VAL 148 Ca -0.06 -0.03 -0.25 0.00 0.00 0.00 0.00 61.98 61.64 1ufr s VAL 148 Cb -0.13 -0.44 -0.16 0.00 0.00 0.00 0.00 36.38 35.65 1ufr s VAL 148 CO 0.03 0.19 1.20 1.23 0.00 0.00 0.00 175.10 177.76 1ufr h GLY 149 N 7.23 -0.45 -5.34 4.51 0.00 0.24 -3.47 103.07 105.79 1ufr h GLY 149 Ca -0.39 0.17 -0.11 0.00 0.00 0.00 0.00 47.33 47.00 1ufr h GLY 149 CO 0.47 -0.16 -0.22 1.25 0.00 0.00 0.00 176.54 177.87 1ufr s LYS 150 N -4.59 0.49 -0.22 4.80 2.20 0.06 -4.93 119.74 117.55 1ufr s LYS 150 Ca -0.14 0.69 -0.20 0.00 -0.36 0.00 0.00 55.97 55.96 1ufr s LYS 150 Cb 0.02 0.16 -0.02 0.00 -1.51 0.00 0.00 37.83 36.48 1ufr s LYS 150 CO 0.53 -0.10 0.61 -0.80 -0.36 0.00 0.00 175.35 175.23 1ufr s ASN 151 N 0.65 6.62 -0.33 1.43 0.01 -1.26 -2.17 114.94 119.89 1ufr s ASN 151 Ca -0.03 0.75 0.03 0.00 -0.71 0.00 0.00 52.86 52.90 1ufr s ASN 151 Cb -0.05 -2.33 0.09 0.00 0.41 0.00 0.00 41.25 39.37 1ufr s ASN 151 CO -0.04 -0.29 0.03 -0.69 -1.51 0.00 0.00 177.10 174.60 1ufr s VAL 152 N 2.07 2.39 0.09 1.60 1.01 -0.31 -4.97 120.40 122.28 1ufr s VAL 152 Ca 0.27 -2.13 -0.31 0.00 0.00 0.00 0.00 61.98 59.81 1ufr s VAL 152 Cb -0.16 -2.67 -0.09 0.00 0.00 0.00 0.00 36.38 33.47 1ufr s VAL 152 CO 0.10 -0.47 1.65 -2.84 0.00 0.00 0.00 175.10 173.53 1ufr s PRO 153 N 0.98 4.20 0.31 2.72 0.02 -1.26 -4.22 135.00 137.75 1ufr s PRO 153 Ca 0.06 2.35 0.03 0.00 0.02 0.00 0.00 61.00 63.46 1ufr s PRO 153 Cb -0.20 -3.52 -0.05 0.00 0.02 0.00 0.00 34.50 30.75 1ufr s PRO 153 CO -0.07 -0.72 0.08 0.95 -0.33 0.00 0.00 177.00 176.92 1ufr s THR 154 N 2.39 0.88 0.21 0.99 -4.23 -1.26 -5.09 115.64 109.53 1ufr s THR 154 Ca 0.74 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.31 1ufr s THR 154 Cb -0.41 -2.68 -0.04 0.00 1.34 0.00 0.00 72.50 70.72 1ufr s THR 154 CO 0.32 0.00 0.16 -0.94 -0.54 0.00 0.00 174.62 173.63 1ufr s SER 155 N -3.44 5.50 0.30 3.99 1.04 -1.26 -5.00 113.70 114.83 1ufr s SER 155 Ca 0.35 -0.20 0.05 0.00 0.48 0.00 0.00 55.95 56.64 1ufr s SER 155 Cb 0.08 -1.41 0.76 0.00 0.10 0.00 0.00 66.02 65.54 1ufr s SER 155 CO 0.15 0.01 1.73 0.03 0.98 0.00 0.00 173.24 176.14 1ufr h ARG 156 N 1.95 0.52 0.00 4.02 3.08 -2.01 -1.60 114.38 120.34 1ufr h ARG 156 Ca -0.48 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.43 1ufr h ARG 156 Cb 1.22 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.14 1ufr h ARG 156 CO 0.62 0.35 -0.52 0.66 -1.07 0.00 0.00 179.97 180.00 1ufr h SER 157 N 0.54 0.00 -3.74 7.04 4.64 -1.95 -3.46 113.55 116.62 1ufr h SER 157 Ca 0.58 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 61.43 1ufr h SER 157 Cb 1.04 0.00 0.19 0.00 -0.31 0.00 0.00 62.40 63.31 1ufr h SER 157 CO -0.47 0.52 0.13 -1.61 -0.87 0.00 0.00 176.83 174.54 1ufr s GLU 158 N -3.36 0.16 -0.06 4.77 2.02 -0.60 -3.74 118.70 117.89 1ufr s GLU 158 Ca 0.01 0.95 -0.05 0.00 0.02 0.00 0.00 54.97 55.90 1ufr s GLU 158 Cb 0.10 -1.67 0.02 0.00 0.10 0.00 0.00 34.13 32.68 1ufr s GLU 158 CO 0.73 -3.03 0.15 0.08 0.02 0.00 0.00 175.26 173.20 1ufr s VAL 159 N -2.67 -0.00 -0.17 2.63 1.01 -0.24 -4.88 120.40 116.09 1ufr s VAL 159 Ca 0.66 0.01 -0.06 0.00 0.00 0.00 0.00 61.98 62.60 1ufr s VAL 159 Cb -0.22 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.91 1ufr s VAL 159 CO 0.61 0.00 0.01 -0.69 0.00 0.00 0.00 175.10 175.03 1ufr s VAL 160 N 0.12 4.37 -0.18 2.92 1.01 -1.26 -0.37 120.40 127.01 1ufr s VAL 160 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 1ufr s VAL 160 Cb -0.01 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.43 1ufr s VAL 160 CO -0.00 0.48 -0.14 -0.54 0.00 0.00 0.00 175.10 174.90 1ufr s LYS 161 N 0.30 3.19 -0.21 2.72 1.02 0.14 -4.99 119.74 121.92 1ufr s LYS 161 Ca 0.00 -0.74 -0.07 0.00 0.02 0.00 0.00 55.97 55.18 1ufr s LYS 161 Cb -0.13 -2.70 -0.03 0.00 -0.52 0.00 0.00 37.83 34.44 1ufr s LYS 161 CO 0.01 -0.10 0.06 0.08 -0.92 0.00 0.00 175.35 174.48 1ufr s VAL 162 N 1.11 4.49 -0.09 3.17 1.01 -1.26 -0.22 120.40 128.61 1ufr s VAL 162 Ca 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.88 1ufr s VAL 162 Cb -0.14 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 1ufr s VAL 162 CO -0.04 0.40 -0.17 -0.54 0.00 0.00 0.00 175.10 174.75 1ufr s LYS 163 N 0.94 2.95 0.00 2.72 1.02 0.21 -4.99 119.74 122.60 1ufr s LYS 163 Ca 0.03 -0.75 0.03 0.00 0.02 0.00 0.00 55.97 55.31 1ufr s LYS 163 Cb -0.14 -2.44 -0.01 0.00 -0.52 0.00 0.00 37.83 34.72 1ufr s LYS 163 CO 0.03 0.36 -0.09 0.14 -0.92 0.00 0.00 175.35 174.86 1ufr s VAL 164 N -0.05 0.71 0.12 3.17 -7.23 -0.59 -0.22 120.40 116.30 1ufr s VAL 164 Ca -0.04 -0.50 -0.23 0.00 -1.81 0.00 0.00 61.98 59.40 1ufr s VAL 164 Cb -0.14 -0.62 -0.05 0.00 0.56 0.00 0.00 36.38 36.13 1ufr s VAL 164 CO 0.04 0.12 1.30 -0.62 -0.31 0.00 0.00 175.10 175.63 1ufr n GLU 165 N 2.64 -0.33 0.06 4.82 -0.58 -1.17 0.10 120.64 126.19 1ufr n GLU 165 Ca -0.15 1.28 0.21 0.00 -0.42 0.00 0.00 57.16 58.08 1ufr n GLU 165 Cb 0.57 -1.89 0.67 0.00 -0.57 0.00 0.00 31.44 30.22 1ufr n GLU 165 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1ufr h GLU 166 N 0.00 0.00 0.00 3.49 3.07 -1.94 0.71 114.58 119.91 1ufr h GLU 166 Ca 0.12 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.96 1ufr h GLU 166 Cb 0.30 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.21 1ufr h GLU 166 CO -0.69 0.00 -1.08 0.28 -1.40 0.00 0.00 179.01 176.11 1ufr n VAL 167 N -3.48 0.08 0.60 3.13 0.31 -0.09 -4.82 118.33 114.05 1ufr n VAL 167 Ca 0.09 -0.03 0.07 0.00 -0.01 0.00 0.00 64.34 64.46 1ufr n VAL 167 Cb 0.79 -0.57 0.02 0.00 -0.91 0.00 0.00 33.84 33.17 1ufr n VAL 167 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1ufr n ASP 168 N -2.52 1.70 0.00 4.52 8.00 0.28 -4.98 116.55 123.56 1ufr n ASP 168 Ca -0.03 -1.35 0.00 0.00 0.71 0.00 0.00 54.79 54.13 1ufr n ASP 168 Cb 0.53 0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.94 1ufr n ASP 168 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ufr n GLY 169 N 0.96 0.65 3.58 0.44 0.00 0.24 -4.91 105.19 106.15 1ufr n GLY 169 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 1ufr n GLY 169 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ufr s GLU 170 N -0.19 0.86 -0.46 1.61 2.12 -1.26 -4.76 118.70 116.61 1ufr s GLU 170 Ca 0.00 0.82 -0.19 0.00 0.36 0.00 0.00 54.97 55.96 1ufr s GLU 170 Cb 0.00 0.41 0.04 0.00 0.26 0.00 0.00 34.13 34.84 1ufr s GLU 170 CO 0.00 -0.14 0.58 -0.51 -0.54 0.00 0.00 175.26 174.65 1ufr s ASP 171 N 0.06 6.25 -0.10 -1.70 1.01 -1.26 -1.55 116.67 119.38 1ufr s ASP 171 Ca -0.02 -0.64 -0.30 0.00 0.71 0.00 0.00 52.55 52.30 1ufr s ASP 171 Cb -0.04 -2.28 0.07 0.00 1.01 0.00 0.00 42.92 41.68 1ufr s ASP 171 CO 0.03 -0.77 0.70 -0.60 0.21 0.00 0.00 175.17 174.74 1ufr s ARG 172 N 2.57 0.99 -0.20 8.23 3.52 0.69 -2.99 118.95 131.76 1ufr s ARG 172 Ca 0.17 0.43 0.01 0.00 -0.13 0.00 0.00 55.73 56.20 1ufr s ARG 172 Cb -0.17 0.47 0.03 0.00 -1.56 0.00 0.00 34.95 33.72 1ufr s ARG 172 CO 0.15 -0.27 -0.17 0.08 -0.81 0.00 0.00 175.30 174.28 1ufr s VAL 173 N -0.82 2.22 0.03 7.11 1.01 -1.26 0.63 120.40 129.31 1ufr s VAL 173 Ca -0.08 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 60.91 1ufr s VAL 173 Cb -0.01 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 1ufr s VAL 173 CO 0.08 0.41 -0.08 -1.61 0.00 0.00 0.00 175.10 173.90 1ufr s GLU 174 N 1.27 2.44 -0.20 2.72 2.02 0.70 0.06 118.70 127.70 1ufr s GLU 174 Ca 0.02 -0.80 -0.05 0.00 0.02 0.00 0.00 54.97 54.17 1ufr s GLU 174 Cb -0.15 -2.44 -0.02 0.00 0.10 0.00 0.00 34.13 31.63 1ufr s GLU 174 CO -0.10 0.58 -0.01 -1.17 0.02 0.00 0.00 175.26 174.58 1ufr s LEU 175 N -1.56 3.22 0.42 1.80 2.96 0.64 -0.68 118.68 125.48 1ufr s LEU 175 Ca 0.18 -0.22 0.06 0.00 -0.22 0.00 0.00 54.13 53.93 1ufr s LEU 175 Cb -0.11 -1.81 -0.07 0.00 0.50 0.00 0.00 46.19 44.70 1ufr s LEU 175 CO 0.08 0.06 0.01 0.26 -1.32 0.00 0.00 176.35 175.45 1ufr s TRP 176 N 1.00 2.43 -0.06 5.38 0.52 0.51 -0.61 118.94 128.11 1ufr s TRP 176 Ca 0.01 -0.71 -0.25 0.00 0.02 0.00 0.00 56.10 55.17 1ufr s TRP 176 Cb -0.14 -1.76 0.06 0.00 -1.15 0.00 0.00 33.47 30.47 1ufr s TRP 176 CO 0.01 0.41 0.57 -2.00 0.02 0.00 0.00 176.95 175.97 1ufr s GLU 177 N -3.74 0.91 0.00 4.98 2.12 -0.39 -1.07 118.70 121.51 1ufr s GLU 177 Ca 0.31 0.22 0.10 0.00 0.36 0.00 0.00 54.97 55.95 1ufr s GLU 177 Cb 0.09 0.42 0.08 0.00 0.26 0.00 0.00 34.13 34.98 1ufr s GLU 177 CO 0.16 -0.26 0.81 -2.13 -0.54 0.00 0.00 175.26 173.30