#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufr s PHE 3 N 0.00 3.20 -0.11 -0.14 5.36 -1.26 -0.26 117.98 124.77 1ufr s PHE 3 Ca 0.00 0.99 -0.04 0.00 -0.96 0.00 0.00 56.93 56.91 1ufr s PHE 3 Cb 0.00 -3.71 -0.05 0.00 -0.34 0.00 0.00 43.02 38.92 1ufr s PHE 3 CO 0.00 -2.42 -0.13 1.17 -1.46 0.00 0.00 175.22 172.38 1ufr n LYS 4 N 3.46 0.24 -3.53 10.12 4.81 0.27 -4.90 118.16 128.63 1ufr n LYS 4 Ca 0.10 0.10 -0.07 0.00 -0.87 0.00 0.00 58.31 57.56 1ufr n LYS 4 Cb 0.42 -0.97 -0.02 0.00 0.02 0.00 0.00 35.03 34.48 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 -2.21 -1.90 -0.32 3.14 0.00 -0.94 -5.01 121.76 114.53 1ufr s ALA 5 Ca -0.15 1.22 -0.22 0.00 0.00 0.00 0.00 51.96 52.81 1ufr s ALA 5 Cb 0.06 0.17 -0.00 0.00 0.00 0.00 0.00 23.12 23.35 1ufr s ALA 5 CO 0.21 -0.63 0.73 -2.00 0.00 0.00 0.00 175.76 174.07 1ufr s GLU 6 N -2.76 3.90 0.00 0.00 2.12 -1.26 -0.37 118.70 120.33 1ufr s GLU 6 Ca 0.06 0.43 0.29 0.00 0.36 0.00 0.00 54.97 56.10 1ufr s GLU 6 Cb -0.01 -3.74 1.21 0.00 0.26 0.00 0.00 34.13 31.85 1ufr s GLU 6 CO -0.07 -0.67 1.89 1.28 -0.54 0.00 0.00 175.26 177.15 1ufr n LEU 7 N 6.12 0.08 -4.03 2.70 4.77 0.11 -4.95 117.00 121.79 1ufr n LEU 7 Ca 0.02 0.38 -0.10 0.00 -0.03 0.00 0.00 56.01 56.28 1ufr n LEU 7 Cb 0.48 -0.42 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 1ufr n LEU 7 CO 0.49 0.02 0.12 0.54 -1.33 0.00 0.00 177.39 177.23 1ufr s ASN 9 N -2.90 0.05 0.18 -1.43 2.20 -1.26 -4.96 114.94 106.82 1ufr s ASN 9 Ca 0.17 -1.06 -0.21 0.00 -0.94 0.00 0.00 52.86 50.82 1ufr s ASN 9 Cb 0.19 0.57 0.10 0.00 -2.00 0.00 0.00 41.25 40.12 1ufr s ASN 9 CO 0.53 -1.13 1.59 0.00 -2.94 0.00 0.00 177.10 175.16 1ufr h ALA 10 N 2.28 -0.09 -0.53 3.54 0.00 -1.94 -2.25 119.26 120.28 1ufr h ALA 10 Ca -0.28 0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.85 1ufr h ALA 10 Cb 1.25 0.77 -0.06 0.00 0.00 0.00 0.00 17.79 19.74 1ufr h ALA 10 CO 0.38 -0.69 0.19 -1.35 0.00 0.00 0.00 179.25 177.78 1ufr h PRO 11 N -0.19 0.36 -0.86 0.00 0.11 -2.06 -0.47 132.00 128.90 1ufr h PRO 11 Ca 0.21 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1ufr h PRO 11 Cb 0.55 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.57 1ufr h PRO 11 CO -0.64 0.24 0.00 0.39 -0.21 0.00 0.00 178.00 177.78 1ufr n GLU 12 N -5.00 0.07 0.00 1.05 1.02 -0.85 -1.49 120.64 115.45 1ufr n GLU 12 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1ufr n GLU 12 Cb 0.21 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 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 0.67 0.00 -0.08 3.49 0.63 -0.19 -1.61 116.66 119.58 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 0.03 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.93 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 0.29 -0.37 -0.14 2.43 -1.52 -0.92 114.38 114.15 1ufr h ARG 15 Ca 0.00 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1ufr h ARG 15 Cb 0.00 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 1ufr h ARG 15 CO 0.00 0.19 0.16 0.00 -1.51 0.00 0.00 179.97 178.81 1ufr h ALA 16 N 1.14 0.48 -0.10 2.80 0.00 -1.56 -2.18 119.26 119.85 1ufr h ALA 16 Ca 0.12 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1ufr h ALA 16 Cb 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1ufr h ALA 16 CO -0.08 0.06 -0.07 -0.07 0.00 0.00 0.00 179.25 179.10 1ufr h LEU 17 N 0.45 0.13 -0.31 0.00 3.38 -1.76 -0.19 115.31 117.01 1ufr h LEU 17 Ca 0.12 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 1ufr h LEU 17 Cb 0.16 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1ufr h LEU 17 CO -0.01 0.22 -0.33 1.88 0.09 0.00 0.00 178.44 180.29 1ufr h TYR 18 N 0.14 0.93 -0.50 1.13 -1.99 -0.81 -0.92 116.97 114.94 1ufr h TYR 18 Ca 0.03 -0.28 -0.01 0.00 2.00 0.00 0.00 58.73 60.47 1ufr h TYR 18 Cb 0.21 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 38.72 1ufr h TYR 18 CO 0.00 1.06 0.29 -0.09 -0.00 0.00 0.00 178.16 179.41 1ufr h ARG 19 N 0.53 0.69 -0.14 4.88 2.43 -0.74 -0.66 114.38 121.38 1ufr h ARG 19 Ca 0.05 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1ufr h ARG 19 Cb 0.91 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.28 1ufr h ARG 19 CO 0.08 0.52 -0.10 0.82 -1.51 0.00 0.00 179.97 179.78 1ufr h ILE 20 N 0.67 0.70 -0.22 1.20 1.08 -0.91 0.28 117.51 120.30 1ufr h ILE 20 Ca 0.18 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.70 1ufr h ILE 20 Cb 0.02 0.70 -0.07 0.00 -3.07 0.00 0.00 36.82 34.40 1ufr h ILE 20 CO -0.03 0.00 -0.32 0.00 -0.69 0.00 0.00 178.15 177.11 1ufr h ALA 21 N 0.99 -0.30 0.27 1.87 0.00 -0.62 0.12 119.26 121.59 1ufr h ALA 21 Ca 0.09 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1ufr h ALA 21 Cb 0.24 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1ufr h ALA 21 CO -0.20 -0.77 -0.17 0.45 0.00 0.00 0.00 179.25 178.56 1ufr h HIS 22 N -0.34 -0.43 -0.92 0.00 3.86 -0.69 -2.27 115.15 114.36 1ufr h HIS 22 Ca 0.12 -0.00 0.16 0.00 -1.16 0.00 0.00 60.37 59.49 1ufr h HIS 22 Cb 0.54 0.15 -0.08 0.00 1.06 0.00 0.00 27.41 29.08 1ufr h HIS 22 CO -0.44 -0.26 0.59 0.93 0.86 0.00 0.00 177.93 179.61 1ufr h GLU 23 N -0.42 0.64 0.23 2.45 5.08 0.10 0.11 114.58 122.77 1ufr h GLU 23 Ca -0.03 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1ufr h GLU 23 Cb 0.35 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1ufr h GLU 23 CO 0.03 0.43 -0.11 0.82 -1.00 0.00 0.00 179.01 179.17 1ufr h ILE 24 N 0.66 0.83 -0.26 3.13 2.04 -0.42 -0.32 117.51 123.17 1ufr h ILE 24 Ca 0.48 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 66.00 1ufr h ILE 24 Cb 0.83 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 1ufr h ILE 24 CO -0.23 0.08 0.17 0.58 0.00 0.00 0.00 178.15 178.74 1ufr h VAL 25 N -0.47 1.07 -0.76 1.67 2.07 -0.70 -0.26 116.25 118.87 1ufr h VAL 25 Ca -0.03 -0.12 0.11 0.00 0.82 0.00 0.00 66.70 67.48 1ufr h VAL 25 Cb 0.36 0.69 -0.08 0.00 -1.52 0.00 0.00 31.29 30.74 1ufr h VAL 25 CO 0.05 0.06 0.38 -0.33 0.02 0.00 0.00 177.57 177.75 1ufr h GLU 26 N 0.35 0.60 -0.67 1.57 5.08 -0.77 0.29 114.58 121.02 1ufr h GLU 26 Ca 0.09 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1ufr h GLU 26 Cb -0.04 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 1ufr h GLU 26 CO -0.02 0.40 0.21 0.00 -1.00 0.00 0.00 179.01 178.59 1ufr h ALA 27 N 1.47 0.88 -0.12 3.43 0.00 -0.20 -2.41 119.26 122.30 1ufr h ALA 27 Ca 0.38 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ufr h ALA 27 Cb 0.44 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1ufr h ALA 27 CO -0.30 0.56 0.00 -1.71 0.00 0.00 0.00 179.25 177.80 1ufr n ASN 28 N -4.33 1.21 -2.47 0.00 4.05 -0.19 -4.88 115.26 108.66 1ufr n ASN 28 Ca 0.05 -1.63 -0.15 0.00 0.45 0.00 0.00 54.58 53.29 1ufr n ASN 28 Cb 0.22 -0.08 -0.01 0.00 1.23 0.00 0.00 39.78 41.15 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 0.02 -2.16 -0.41 1.20 4.76 0.92 -4.66 118.16 117.83 1ufr n LYS 29 Ca 0.16 0.73 0.00 0.00 -2.87 0.00 0.00 58.31 56.32 1ufr n LYS 29 Cb 0.26 -5.35 0.00 0.00 -1.84 0.00 0.00 35.03 28.09 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 -0.89 0.81 0.17 0.72 0.00 -0.64 -4.88 105.19 100.48 1ufr n GLY 30 Ca -0.17 -1.81 0.08 0.00 0.00 0.00 0.00 46.02 44.12 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 9.00 0.00 -1.68 2.61 -1.04 -1.26 -4.67 114.28 117.24 1ufr n THR 31 Ca 0.00 -0.21 -0.53 0.00 -2.04 0.00 0.00 64.05 61.26 1ufr n THR 31 Cb 0.00 1.09 -0.06 0.00 -1.82 0.00 0.00 70.33 69.54 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 -0.80 1.48 -1.26 -2.82 0.00 -1.26 -1.39 120.64 114.59 1ufr n GLU 32 Ca 0.05 0.54 -0.11 0.00 0.00 0.00 0.00 57.16 57.64 1ufr n GLU 32 Cb 0.30 -2.26 -0.05 0.00 0.00 0.00 0.00 31.44 29.43 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 3.86 1.06 3.79 8.31 0.00 -1.26 -4.72 105.19 116.23 1ufr n GLY 33 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.75 4.45 -0.14 0.99 2.96 -0.49 -0.16 118.68 123.54 1ufr s LEU 34 Ca 0.00 1.63 -0.27 0.00 -0.22 0.00 0.00 54.13 55.27 1ufr s LEU 34 Cb 0.00 -3.59 0.07 0.00 0.50 0.00 0.00 46.19 43.16 1ufr s LEU 34 CO 0.00 0.08 0.66 0.00 -1.32 0.00 0.00 176.35 175.77 1ufr s ALA 35 N -1.40 -1.68 0.08 5.97 0.00 -0.46 -4.32 121.76 119.95 1ufr s ALA 35 Ca 0.42 1.55 0.05 0.00 0.00 0.00 0.00 51.96 53.98 1ufr s ALA 35 Cb -0.20 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 1ufr s ALA 35 CO 0.24 -0.34 -0.02 -0.51 0.00 0.00 0.00 175.76 175.12 1ufr s LEU 36 N -0.48 3.37 -0.11 0.00 1.43 -0.42 -0.48 118.68 121.99 1ufr s LEU 36 Ca -0.06 -0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 52.82 1ufr s LEU 36 Cb -0.02 -2.09 0.04 0.00 0.03 0.00 0.00 46.19 44.14 1ufr s LEU 36 CO 0.06 0.19 0.01 -0.69 0.23 0.00 0.00 176.35 176.14 1ufr s VAL 37 N -1.26 0.46 0.10 -1.59 1.01 -0.02 0.10 120.40 119.21 1ufr s VAL 37 Ca 0.24 -0.10 -0.20 0.00 0.00 0.00 0.00 61.98 61.92 1ufr s VAL 37 Cb -0.12 -0.71 -0.07 0.00 0.00 0.00 0.00 36.38 35.48 1ufr s VAL 37 CO 0.16 0.13 0.60 -0.83 0.00 0.00 0.00 175.10 175.17 1ufr s GLY 38 N 1.92 2.69 0.36 4.51 0.00 -0.19 -0.34 107.32 116.27 1ufr s GLY 38 Ca 0.03 0.08 0.04 0.00 0.00 0.00 0.00 44.72 44.87 1ufr s GLY 38 CO -0.06 0.50 0.16 0.29 0.00 0.00 0.00 173.10 173.99 1ufr n ILE 39 N 1.60 0.00 -4.13 0.90 -5.35 -0.56 -1.24 119.36 110.57 1ufr n ILE 39 Ca -0.09 -2.18 -0.31 0.00 -0.27 0.00 0.00 62.75 59.90 1ufr n ILE 39 Cb 0.51 0.85 -0.03 0.00 -1.74 0.00 0.00 39.64 39.22 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 -0.78 -1.65 0.00 4.28 -0.00 -1.11 -2.06 115.22 113.90 1ufr n HIS 40 Ca -0.03 0.76 0.00 0.00 -0.00 0.00 0.00 57.72 58.45 1ufr n HIS 40 Cb 0.56 -3.24 0.00 0.00 -0.00 0.00 0.00 29.99 27.31 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 -4.41 0.00 0.88 3.57 -1.04 -1.26 -3.79 114.28 108.23 1ufr n THR 41 Ca -0.12 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 61.98 1ufr n THR 41 Cb 0.59 0.00 0.46 0.00 -1.82 0.00 0.00 70.33 69.56 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 0.30 0.11 -2.82 1.74 -1.26 -2.33 116.66 112.40 1ufr n ARG 42 Ca 0.00 0.10 -0.03 0.00 -0.77 0.00 0.00 57.85 57.15 1ufr n ARG 42 Cb 0.00 -1.50 0.16 0.00 -1.02 0.00 0.00 32.46 30.10 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 2.89 0.15 1.00 -0.13 0.00 -1.51 -3.00 103.07 102.47 1ufr h GLY 43 Ca 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 1ufr h GLY 43 CO 0.00 0.16 -0.29 -2.22 0.00 0.00 0.00 176.54 174.18 1ufr h ILE 44 N 0.10 0.40 -0.98 2.60 5.03 -1.57 0.14 117.51 123.24 1ufr h ILE 44 Ca -0.00 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 64.81 1ufr h ILE 44 Cb 1.05 0.40 -0.07 0.00 -3.03 0.00 0.00 36.82 35.17 1ufr h ILE 44 CO 0.08 0.00 0.63 -0.65 -0.68 0.00 0.00 178.15 177.54 1ufr h PRO 45 N -0.82 1.07 -0.52 2.37 0.11 -1.73 -1.67 132.00 130.82 1ufr h PRO 45 Ca -0.08 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.88 1ufr h PRO 45 Cb 0.63 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.47 1ufr h PRO 45 CO 0.13 0.71 -0.01 -0.07 -0.21 0.00 0.00 178.00 178.55 1ufr h LEU 46 N 1.10 0.86 0.10 2.35 3.38 -1.36 -1.70 115.31 120.04 1ufr h LEU 46 Ca 0.44 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1ufr h LEU 46 Cb 0.25 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1ufr h LEU 46 CO -0.18 0.93 -0.05 0.00 0.09 0.00 0.00 178.44 179.22 1ufr h ALA 47 N 1.16 -0.14 -0.89 1.53 0.00 -0.08 -0.84 119.26 120.01 1ufr h ALA 47 Ca 0.15 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.12 1ufr h ALA 47 Cb 0.50 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 1ufr h ALA 47 CO 0.03 -0.54 0.51 0.45 0.00 0.00 0.00 179.25 179.69 1ufr h HIS 48 N -0.21 0.91 -0.30 0.00 3.86 -1.15 0.15 115.15 118.39 1ufr h HIS 48 Ca -0.01 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.19 1ufr h HIS 48 Cb 0.17 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 1ufr h HIS 48 CO -0.05 0.31 0.03 0.00 0.86 0.00 0.00 177.93 179.08 1ufr h ARG 49 N 0.78 0.52 -0.82 2.45 3.08 -1.02 0.81 114.38 120.18 1ufr h ARG 49 Ca 0.45 -0.15 0.02 0.00 0.07 0.00 0.00 59.98 60.37 1ufr h ARG 49 Cb 0.52 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 1ufr h ARG 49 CO -0.30 0.64 0.54 0.82 -1.07 0.00 0.00 179.97 180.60 1ufr h ILE 50 N 0.33 1.18 -0.44 2.04 2.04 0.11 0.38 117.51 123.16 1ufr h ILE 50 Ca 0.09 -0.37 -0.09 0.00 1.00 0.00 0.00 64.86 65.49 1ufr h ILE 50 Cb 0.38 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1ufr h ILE 50 CO 0.01 0.20 -0.09 0.00 0.00 0.00 0.00 178.15 178.27 1ufr h ALA 51 N 1.50 0.60 -0.41 1.87 0.00 -0.42 -0.89 119.26 121.51 1ufr h ALA 51 Ca 0.31 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1ufr h ALA 51 Cb -0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1ufr h ALA 51 CO -0.07 0.48 0.22 -0.09 0.00 0.00 0.00 179.25 179.78 1ufr h ARG 52 N 0.67 0.43 -0.60 0.00 2.43 0.28 -1.60 114.38 115.99 1ufr h ARG 52 Ca 0.11 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.15 1ufr h ARG 52 Cb 0.62 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 1ufr h ARG 52 CO 0.04 0.28 -0.03 0.74 -1.51 0.00 0.00 179.97 179.49 1ufr h PHE 53 N 0.44 1.18 0.04 2.20 0.04 -0.79 -1.72 116.94 118.33 1ufr h PHE 53 Ca 0.17 -0.22 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1ufr h PHE 53 Cb 0.06 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 37.90 1ufr h PHE 53 CO -0.09 1.05 -0.04 0.82 -0.60 0.00 0.00 178.31 179.45 1ufr h ILE 54 N 0.97 0.91 -0.23 -0.55 2.04 -0.73 -1.97 117.51 117.96 1ufr h ILE 54 Ca 0.16 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.03 1ufr h ILE 54 Cb 0.60 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1ufr h ILE 54 CO 0.04 0.00 0.15 0.00 0.00 0.00 0.00 178.15 178.34 1ufr h ALA 55 N 0.87 1.85 -0.14 1.87 0.00 -1.24 0.42 119.26 122.90 1ufr h ALA 55 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1ufr h ALA 55 Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1ufr h ALA 55 CO -0.01 0.13 -0.11 1.49 0.00 0.00 0.00 179.25 180.75 1ufr h GLU 56 N 0.30 0.21 0.00 0.00 4.81 -0.54 0.40 114.58 119.77 1ufr h GLU 56 Ca 0.09 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1ufr h GLU 56 Cb -0.01 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1ufr h GLU 56 CO -0.02 0.34 0.00 1.97 -0.73 0.00 0.00 179.01 180.57 1ufr n PHE 57 N -4.30 0.00 0.00 0.92 1.16 -0.84 -4.69 117.46 109.70 1ufr n PHE 57 Ca -0.01 -0.34 0.00 0.00 -1.87 0.00 0.00 57.45 55.24 1ufr n PHE 57 Cb 0.25 -0.03 0.00 0.00 -1.61 0.00 0.00 39.48 38.08 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 -0.34 2.62 0.00 3.97 4.07 0.14 -5.06 120.64 126.04 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 0.24 -0.93 0.00 0.00 -0.06 0.00 0.00 31.44 30.70 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 2.48 1.87 3.71 8.31 0.00 0.13 -4.99 105.19 116.70 1ufr n GLY 59 Ca 0.00 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 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 1.79 -0.05 1.61 0.00 -1.26 -4.74 119.74 117.09 1ufr s LYS 60 Ca 0.00 1.64 -0.07 0.00 0.00 0.00 0.00 55.97 57.54 1ufr s LYS 60 Cb 0.00 -1.80 -0.04 0.00 0.00 0.00 0.00 37.83 35.98 1ufr s LYS 60 CO 0.00 -2.08 0.22 -2.00 0.00 0.00 0.00 175.35 171.49 1ufr s GLU 61 N -4.24 3.53 -0.17 1.78 2.12 -1.26 -3.88 118.70 116.58 1ufr s GLU 61 Ca 0.71 -0.09 -0.06 0.00 0.36 0.00 0.00 54.97 55.88 1ufr s GLU 61 Cb -0.26 -3.14 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 1ufr s GLU 61 CO 0.50 0.71 0.03 0.08 -0.54 0.00 0.00 175.26 176.04 1ufr s VAL 62 N -1.18 4.49 0.41 3.70 1.01 -1.26 -5.06 120.40 122.51 1ufr s VAL 62 Ca 0.22 -0.14 -0.26 0.00 0.00 0.00 0.00 61.98 61.80 1ufr s VAL 62 Cb -0.13 -3.01 -0.09 0.00 0.00 0.00 0.00 36.38 33.15 1ufr s VAL 62 CO 0.12 0.47 1.34 -2.84 0.00 0.00 0.00 175.10 174.19 1ufr s PRO 63 N 0.36 3.95 -0.20 2.72 0.02 -1.26 -4.86 135.00 135.72 1ufr s PRO 63 Ca 0.01 2.24 0.01 0.00 0.02 0.00 0.00 61.00 63.28 1ufr s PRO 63 Cb -0.13 -2.77 0.04 0.00 0.02 0.00 0.00 34.50 31.66 1ufr s PRO 63 CO 0.01 -0.54 -0.13 0.08 -0.33 0.00 0.00 177.00 176.08 1ufr s VAL 64 N -1.23 1.86 0.42 3.83 1.01 -1.26 -1.30 120.40 123.73 1ufr s VAL 64 Ca 0.57 -1.08 0.03 0.00 0.00 0.00 0.00 61.98 61.50 1ufr s VAL 64 Cb -0.40 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.13 1ufr s VAL 64 CO 0.52 0.26 0.61 -0.83 0.00 0.00 0.00 175.10 175.65 1ufr s GLY 65 N 1.31 1.64 -0.04 4.51 0.00 0.29 -4.90 107.32 110.13 1ufr s GLY 65 Ca -0.01 -1.28 0.04 0.00 0.00 0.00 0.00 44.72 43.47 1ufr s GLY 65 CO -0.09 -1.13 -0.14 0.14 0.00 0.00 0.00 173.10 171.88 1ufr s VAL 66 N -2.43 1.19 -0.43 1.40 1.01 0.13 -1.02 120.40 120.25 1ufr s VAL 66 Ca 0.49 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.96 1ufr s VAL 66 Cb -0.10 -1.04 0.23 0.00 0.00 0.00 0.00 36.38 35.48 1ufr s VAL 66 CO 0.35 0.35 0.60 -0.11 0.00 0.00 0.00 175.10 176.29 1ufr n LEU 67 N 3.24 -0.91 -4.57 3.92 7.94 -0.37 -0.38 117.00 125.87 1ufr n LEU 67 Ca -0.18 -4.20 -0.27 0.00 -1.11 0.00 0.00 56.01 50.25 1ufr n LEU 67 Cb 0.53 0.68 -0.07 0.00 0.53 0.00 0.00 43.42 45.10 1ufr n LEU 67 CO 0.25 2.01 1.48 -0.67 -1.11 0.00 0.00 177.39 179.35 1ufr n ASP 68 N 1.78 2.95 -4.69 1.96 -0.08 -0.96 -4.21 116.55 113.31 1ufr n ASP 68 Ca 0.19 -2.68 -0.34 0.00 -1.51 0.00 0.00 54.79 50.44 1ufr n ASP 68 Cb 0.55 -1.74 -0.09 0.00 2.34 0.00 0.00 41.12 42.18 1ufr n ASP 68 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1ufr s ILE 69 N 11.47 4.31 -0.01 5.18 2.07 -1.26 -1.50 121.20 141.46 1ufr s ILE 69 Ca 0.69 -0.32 -0.08 0.00 -1.41 0.00 0.00 60.65 59.53 1ufr s ILE 69 Cb -0.01 -2.84 0.01 0.00 0.13 0.00 0.00 42.46 39.75 1ufr s ILE 69 CO 0.14 0.55 0.17 -0.89 -1.91 0.00 0.00 174.94 173.00 1ufr s THR 70 N -0.94 0.07 -0.17 4.00 2.01 0.34 -2.74 115.64 118.20 1ufr s THR 70 Ca 0.15 -0.56 -0.04 0.00 0.31 0.00 0.00 61.69 61.54 1ufr s THR 70 Cb -0.11 -0.44 -0.03 0.00 0.01 0.00 0.00 72.50 71.93 1ufr s THR 70 CO 0.04 -0.31 -0.02 -0.76 -0.69 0.00 0.00 174.62 172.89 1ufr s LEU 71 N -1.18 3.30 -1.26 4.42 1.43 -1.26 0.83 118.68 124.97 1ufr s LEU 71 Ca -0.13 -0.14 -0.08 0.00 -1.03 0.00 0.00 54.13 52.76 1ufr s LEU 71 Cb -0.06 -1.81 0.18 0.00 0.03 0.00 0.00 46.19 44.53 1ufr s LEU 71 CO 0.02 0.13 1.90 -2.65 0.23 0.00 0.00 176.35 175.98 1ufr n PRO 83 N 3.77 3.91 -4.19 1.29 -0.02 -1.26 -5.17 135.00 133.32 1ufr n PRO 83 Ca -0.17 -3.68 -0.19 0.00 -2.02 0.00 0.00 63.50 57.44 1ufr n PRO 83 Cb 0.52 -2.82 -0.12 0.00 -0.02 0.00 0.00 33.50 31.06 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 -0.36 0.88 -0.03 -0.52 0.74 0.24 -5.14 119.66 115.46 1ufr s GLN 84 Ca 0.40 -1.00 -0.01 0.00 0.05 0.00 0.00 55.36 54.80 1ufr s GLN 84 Cb 0.10 -0.91 0.03 0.00 1.10 0.00 0.00 33.01 33.33 1ufr s GLN 84 CO 0.00 0.20 0.04 0.08 -0.55 0.00 0.00 175.29 175.06 1ufr s VAL 85 N -1.31 -0.02 0.15 1.34 1.01 -1.25 0.13 120.40 120.45 1ufr s VAL 85 Ca -0.00 0.29 0.06 0.00 0.00 0.00 0.00 61.98 62.32 1ufr s VAL 85 Cb -0.10 -0.17 -0.18 0.00 0.00 0.00 0.00 36.38 35.94 1ufr s VAL 85 CO 0.03 0.15 1.34 0.03 0.00 0.00 0.00 175.10 176.65 1ufr h ARG 86 N 7.89 0.07 -1.74 2.72 3.08 -1.67 -3.47 114.38 121.25 1ufr h ARG 86 Ca -0.28 -0.09 0.06 0.00 0.07 0.00 0.00 59.98 59.74 1ufr h ARG 86 Cb 1.12 0.03 -0.24 0.00 0.08 0.00 0.00 29.97 30.96 1ufr h ARG 86 CO 0.31 0.95 0.26 -2.00 -1.07 0.00 0.00 179.97 178.43 1ufr s GLU 87 N -2.95 0.55 -0.19 0.04 2.12 -1.26 -5.05 118.70 111.95 1ufr s GLU 87 Ca -0.01 0.85 0.01 0.00 0.36 0.00 0.00 54.97 56.19 1ufr s GLU 87 Cb 0.10 0.17 0.03 0.00 0.26 0.00 0.00 34.13 34.69 1ufr s GLU 87 CO 0.82 -0.10 -0.17 0.99 -0.54 0.00 0.00 175.26 176.26 1ufr s THR 88 N 1.09 2.00 -0.23 -1.70 2.01 -1.26 -2.25 115.64 115.29 1ufr s THR 88 Ca -0.06 -1.06 -0.02 0.00 0.31 0.00 0.00 61.69 60.87 1ufr s THR 88 Cb -0.04 -1.89 0.07 0.00 0.01 0.00 0.00 72.50 70.65 1ufr s THR 88 CO -0.13 0.38 0.05 -0.13 -0.69 0.00 0.00 174.62 174.11 1ufr s ARG 89 N 1.28 0.70 -0.52 4.92 0.52 0.49 -4.99 118.95 121.36 1ufr s ARG 89 Ca 0.02 -0.64 0.03 0.00 -0.52 0.00 0.00 55.73 54.62 1ufr s ARG 89 Cb -0.15 -2.05 0.15 0.00 0.52 0.00 0.00 34.95 33.42 1ufr s ARG 89 CO -0.11 -0.75 0.31 0.42 0.02 0.00 0.00 175.30 175.19 1ufr s ILE 90 N 1.78 1.90 -0.41 1.52 1.01 -1.26 0.20 121.20 125.94 1ufr s ILE 90 Ca 0.02 -3.14 0.00 0.00 0.00 0.00 0.00 60.65 57.54 1ufr s ILE 90 Cb -0.17 -2.30 0.00 0.00 0.01 0.00 0.00 42.46 40.00 1ufr s ILE 90 CO -0.14 -0.94 0.25 -2.65 0.00 0.00 0.00 174.94 171.46 1ufr n PRO 91 N 3.01 0.32 -3.90 2.79 -0.02 -1.26 -4.77 135.00 131.16 1ufr n PRO 91 Ca 0.13 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.53 1ufr n PRO 91 Cb 0.35 -1.27 -0.03 0.00 -0.02 0.00 0.00 33.50 32.54 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 0.00 0.00 -0.26 6.00 -0.12 -1.26 -5.12 117.98 117.22 1ufr s PHE 92 Ca 0.00 -0.45 -0.22 0.00 -0.05 0.00 0.00 56.93 56.21 1ufr s PHE 92 Cb 0.00 0.57 -0.01 0.00 -0.63 0.00 0.00 43.02 42.94 1ufr s PHE 92 CO 0.00 -1.20 0.70 0.34 -0.05 0.00 0.00 175.22 175.02 1ufr s ASP 93 N -2.96 6.66 0.39 1.98 -1.08 -1.26 -4.94 116.67 115.46 1ufr s ASP 93 Ca 0.15 0.79 0.18 0.00 -0.52 0.00 0.00 52.55 53.15 1ufr s ASP 93 Cb -0.04 -2.37 0.79 0.00 -1.46 0.00 0.00 42.92 39.83 1ufr s ASP 93 CO 0.08 -0.44 1.80 -0.07 0.52 0.00 0.00 175.17 177.06 1ufr h LEU 94 N 9.06 0.00 -9.47 -1.34 3.38 -1.95 -3.43 115.31 111.55 1ufr h LEU 94 Ca -0.25 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.11 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 0.81 0.35 0.68 0.41 0.09 0.00 0.00 178.44 180.78 1ufr n THR 95 N -3.70 0.21 -0.13 0.22 -1.04 -1.26 -1.95 114.28 106.64 1ufr n THR 95 Ca -0.01 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1ufr n THR 95 Cb 0.45 -1.36 0.00 0.00 -1.82 0.00 0.00 70.33 67.60 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 2.95 1.51 3.90 3.41 0.00 -0.22 -4.85 105.19 111.89 1ufr n GLY 96 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.07 3.14 -0.49 1.61 1.02 -0.82 -3.68 119.74 120.45 1ufr s LYS 97 Ca 0.00 0.24 -0.16 0.00 0.02 0.00 0.00 55.97 56.07 1ufr s LYS 97 Cb 0.00 -2.21 0.08 0.00 -0.52 0.00 0.00 37.83 35.17 1ufr s LYS 97 CO 0.00 -0.65 0.46 0.00 -0.92 0.00 0.00 175.35 174.24 1ufr s ALA 98 N -3.04 3.53 -0.21 5.17 0.00 0.77 0.70 121.76 128.67 1ufr s ALA 98 Ca 0.54 -2.08 -0.09 0.00 0.00 0.00 0.00 51.96 50.32 1ufr s ALA 98 Cb -0.11 -3.16 -0.05 0.00 0.00 0.00 0.00 23.12 19.81 1ufr s ALA 98 CO 0.48 -1.83 0.11 0.42 0.00 0.00 0.00 175.76 174.94 1ufr s ILE 99 N 1.87 5.09 -0.32 0.00 -1.09 -0.32 -1.35 121.20 125.07 1ufr s ILE 99 Ca 0.06 0.08 -0.06 0.00 -2.23 0.00 0.00 60.65 58.51 1ufr s ILE 99 Cb -0.24 -3.34 0.04 0.00 -1.58 0.00 0.00 42.46 37.34 1ufr s ILE 99 CO 0.07 0.40 0.08 -0.69 -1.23 0.00 0.00 174.94 173.58 1ufr s VAL 100 N 0.73 3.66 0.02 2.92 1.01 0.37 -0.05 120.40 129.06 1ufr s VAL 100 Ca 0.06 -1.10 -0.30 0.00 0.00 0.00 0.00 61.98 60.63 1ufr s VAL 100 Cb -0.13 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 1ufr s VAL 100 CO 0.02 -0.12 1.19 -0.76 0.00 0.00 0.00 175.10 175.43 1ufr s LEU 101 N 1.39 4.34 -0.20 3.92 1.43 -0.54 -0.84 118.68 128.19 1ufr s LEU 101 Ca -0.02 1.94 -0.03 0.00 -1.03 0.00 0.00 54.13 54.99 1ufr s LEU 101 Cb -0.19 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.45 1ufr s LEU 101 CO 0.02 -0.49 -0.07 -0.69 0.23 0.00 0.00 176.35 175.35 1ufr s VAL 102 N 1.41 3.24 0.05 -1.59 1.01 0.53 -0.45 120.40 124.60 1ufr s VAL 102 Ca 0.58 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 62.05 1ufr s VAL 102 Cb -0.28 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 1ufr s VAL 102 CO 0.27 0.46 -0.15 -0.62 0.00 0.00 0.00 175.10 175.06 1ufr s ASP 103 N 1.17 1.73 0.05 3.32 2.15 -0.20 -1.50 116.67 123.39 1ufr s ASP 103 Ca 0.02 -0.52 -0.16 0.00 0.43 0.00 0.00 52.55 52.32 1ufr s ASP 103 Cb -0.14 -0.09 -0.24 0.00 -0.30 0.00 0.00 42.92 42.14 1ufr s ASP 103 CO -0.02 0.00 1.14 -2.24 -0.17 0.00 0.00 175.17 173.89 1ufr h ASP 104 N 4.70 0.79 -3.40 -0.34 2.03 -1.85 -2.37 116.42 115.99 1ufr h ASP 104 Ca -0.39 -0.76 -0.35 0.00 -0.73 0.00 0.00 57.03 54.79 1ufr h ASP 104 Cb 1.18 -0.24 -0.37 0.00 -0.83 0.00 0.00 39.33 39.07 1ufr h ASP 104 CO 0.43 1.45 -0.74 -0.69 -1.03 0.00 0.00 179.24 178.66 1ufr s VAL 105 N -3.22 0.01 -0.26 4.15 1.01 -1.26 -1.24 120.40 119.59 1ufr s VAL 105 Ca -0.11 0.28 -0.15 0.00 0.00 0.00 0.00 61.98 62.00 1ufr s VAL 105 Cb 0.06 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 36.20 1ufr s VAL 105 CO 0.89 0.16 0.36 -0.22 0.00 0.00 0.00 175.10 176.29 1ufr s LEU 106 N 1.63 4.06 0.00 3.92 2.96 -0.12 -4.99 118.68 126.14 1ufr s LEU 106 Ca -0.02 0.30 0.00 0.00 -0.22 0.00 0.00 54.13 54.20 1ufr s LEU 106 Cb -0.13 -2.41 0.00 0.00 0.50 0.00 0.00 46.19 44.16 1ufr s LEU 106 CO -0.03 -0.15 0.00 0.00 -1.32 0.00 0.00 176.35 174.85 1ufr n TYR 107 N 5.13 0.00 0.56 5.38 9.36 -1.26 -1.78 117.16 134.55 1ufr n TYR 107 Ca -0.09 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.25 1ufr n TYR 107 Cb 0.51 0.00 0.45 0.00 -0.63 0.00 0.00 39.34 39.67 1ufr n TYR 107 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1ufr n THR 108 N 0.00 0.67 -0.13 2.97 -2.24 -1.25 -3.61 114.28 110.69 1ufr n THR 108 Ca 0.00 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1ufr n THR 108 Cb 0.00 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.37 1ufr n THR 108 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ufr n GLY 109 N 0.63 1.56 0.27 3.38 0.00 -1.26 -0.93 105.19 108.83 1ufr n GLY 109 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 3.04 0.59 0.01 1.61 3.08 -1.96 -0.16 114.38 120.58 1ufr h ARG 110 Ca 0.00 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 1ufr h ARG 110 Cb 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1ufr h ARG 110 CO 0.00 0.67 -0.00 1.15 -1.07 0.00 0.00 179.97 180.71 1ufr h THR 111 N 0.55 1.30 -0.42 2.04 2.02 -1.98 -0.99 112.91 115.43 1ufr h THR 111 Ca 0.10 -0.93 0.07 0.00 0.77 0.00 0.00 66.41 66.43 1ufr h THR 111 Cb 0.47 1.93 -0.06 0.00 -1.74 0.00 0.00 68.15 68.75 1ufr h THR 111 CO 0.02 0.24 0.05 0.00 0.37 0.00 0.00 175.52 176.21 1ufr h ALA 112 N 0.58 0.43 -0.78 6.16 0.00 -1.92 -0.79 119.26 122.94 1ufr h ALA 112 Ca -0.00 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1ufr h ALA 112 Cb 0.40 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1ufr h ALA 112 CO 0.00 -0.35 0.50 -0.09 0.00 0.00 0.00 179.25 179.31 1ufr h ARG 113 N 0.17 0.95 -0.87 0.00 1.12 -0.93 0.12 114.38 114.94 1ufr h ARG 113 Ca 0.21 -0.06 -0.03 0.00 -1.11 0.00 0.00 59.98 58.99 1ufr h ARG 113 Cb 0.27 -0.21 -0.04 0.00 -0.01 0.00 0.00 29.97 29.98 1ufr h ARG 113 CO -0.30 0.63 0.44 0.00 -3.11 0.00 0.00 179.97 177.63 1ufr h ALA 114 N 1.32 1.14 -0.41 2.80 0.00 -0.37 0.69 119.26 124.43 1ufr h ALA 114 Ca 0.31 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1ufr h ALA 114 Cb -0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1ufr h ALA 114 CO -0.11 0.67 0.03 0.00 0.00 0.00 0.00 179.25 179.84 1ufr h ALA 115 N 1.25 0.55 -0.82 0.00 0.00 -0.30 -1.74 119.26 118.19 1ufr h ALA 115 Ca 0.30 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1ufr h ALA 115 Cb 0.09 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1ufr h ALA 115 CO -0.04 0.30 0.54 1.25 0.00 0.00 0.00 179.25 181.30 1ufr h LEU 116 N 0.54 0.92 0.23 0.00 5.85 -0.26 -0.72 115.31 121.87 1ufr h LEU 116 Ca 0.12 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1ufr h LEU 116 Cb 0.43 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 1ufr h LEU 116 CO 0.02 0.65 -0.13 -0.78 -0.34 0.00 0.00 178.44 177.85 1ufr h ASP 117 N 1.08 -0.33 -0.53 1.25 3.58 -0.62 -2.57 116.42 118.28 1ufr h ASP 117 Ca 0.31 0.02 0.06 0.00 0.42 0.00 0.00 57.03 57.85 1ufr h ASP 117 Cb -0.08 0.10 -0.06 0.00 1.72 0.00 0.00 39.33 41.02 1ufr h ASP 117 CO -0.08 -0.22 0.23 0.00 -2.88 0.00 0.00 179.24 176.28 1ufr h ALA 118 N 0.42 0.67 0.09 -0.78 0.00 -0.81 -2.32 119.26 116.54 1ufr h ALA 118 Ca -0.02 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1ufr h ALA 118 Cb 0.28 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1ufr h ALA 118 CO 0.03 -0.15 -0.20 -0.07 0.00 0.00 0.00 179.25 178.85 1ufr h LEU 119 N 0.43 -0.57 -2.17 0.00 3.38 -1.02 -2.16 115.31 113.20 1ufr h LEU 119 Ca 0.25 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.33 1ufr h LEU 119 Cb 0.23 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1ufr h LEU 119 CO -0.22 -0.28 0.14 0.40 0.09 0.00 0.00 178.44 178.56 1ufr h ILE 120 N -0.38 0.67 0.00 1.22 2.04 -1.20 0.30 117.51 120.17 1ufr h ILE 120 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.89 1ufr h ILE 120 Cb 0.40 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1ufr h ILE 120 CO -0.12 0.00 0.00 0.47 0.00 0.00 0.00 178.15 178.50 1ufr n ASP 121 N -4.11 0.44 -0.00 1.72 8.00 -0.83 -3.33 116.55 118.43 1ufr n ASP 121 Ca 0.01 0.56 0.08 0.00 0.71 0.00 0.00 54.79 56.15 1ufr n ASP 121 Cb 0.26 -0.67 -0.10 0.00 -0.02 0.00 0.00 41.12 40.58 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 -1.93 0.42 0.00 0.64 4.77 0.98 -5.08 117.00 116.79 1ufr n LEU 122 Ca 0.05 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1ufr n LEU 122 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1ufr n LEU 122 CO 0.25 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1ufr n GLY 123 N 1.46 -0.94 2.88 -0.72 0.00 -0.71 -4.73 105.19 102.43 1ufr n GLY 123 Ca 0.00 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.00 2.18 0.75 1.61 1.81 -1.26 -4.20 118.95 117.85 1ufr s ARG 124 Ca 0.00 -3.01 -0.15 0.00 -1.72 0.00 0.00 55.73 50.85 1ufr s ARG 124 Cb 0.00 -3.23 0.04 0.00 -0.45 0.00 0.00 34.95 31.30 1ufr s ARG 124 CO 0.00 -1.23 1.10 -2.30 -0.68 0.00 0.00 175.30 172.18 1ufr n PRO 125 N 2.43 0.44 -0.04 3.54 -0.02 -1.23 -1.06 135.00 139.06 1ufr n PRO 125 Ca 0.15 0.21 -0.05 0.00 -2.02 0.00 0.00 63.50 61.80 1ufr n PRO 125 Cb 0.35 -2.35 0.15 0.00 -0.02 0.00 0.00 33.50 31.63 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 -0.45 0.64 -3.00 -0.52 2.43 0.20 -3.42 114.38 110.25 1ufr h ARG 126 Ca -0.47 -0.23 -0.03 0.00 -0.81 0.00 0.00 59.98 58.43 1ufr h ARG 126 Cb 1.32 -0.04 -0.13 0.00 -0.42 0.00 0.00 29.97 30.70 1ufr h ARG 126 CO 0.47 0.80 0.14 0.50 -1.51 0.00 0.00 179.97 180.37 1ufr s ARG 127 N -4.61 1.21 -0.12 0.20 3.52 -1.08 -5.00 118.95 113.07 1ufr s ARG 127 Ca -0.08 -0.45 -0.02 0.00 -0.13 0.00 0.00 55.73 55.04 1ufr s ARG 127 Cb 0.14 0.55 0.04 0.00 -1.56 0.00 0.00 34.95 34.12 1ufr s ARG 127 CO 0.81 -0.50 0.03 0.42 -0.81 0.00 0.00 175.30 175.25 1ufr s ILE 128 N -3.50 0.31 0.38 4.11 1.01 -1.26 -1.17 121.20 121.08 1ufr s ILE 128 Ca 0.00 -0.07 0.07 0.00 0.00 0.00 0.00 60.65 60.65 1ufr s ILE 128 Cb -0.00 -0.64 0.00 0.00 0.01 0.00 0.00 42.46 41.83 1ufr s ILE 128 CO -0.11 0.05 0.52 -0.31 0.00 0.00 0.00 174.94 175.09 1ufr s TYR 129 N 1.98 2.94 -0.15 3.97 1.51 0.93 -4.98 117.35 123.54 1ufr s TYR 129 Ca 0.03 -0.33 -0.01 0.00 -1.01 0.00 0.00 57.07 55.75 1ufr s TYR 129 Cb -0.14 -2.20 0.04 0.00 -0.11 0.00 0.00 41.96 39.55 1ufr s TYR 129 CO -0.06 -0.23 -0.02 -1.17 -1.11 0.00 0.00 175.55 172.96 1ufr s LEU 130 N -4.26 1.28 -0.10 -1.29 2.96 -1.26 -1.47 118.68 114.54 1ufr s LEU 130 Ca 0.50 -0.56 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 1ufr s LEU 130 Cb -0.10 -0.74 -0.02 0.00 0.50 0.00 0.00 46.19 45.84 1ufr s LEU 130 CO 0.32 -0.21 -0.13 0.00 -1.32 0.00 0.00 176.35 175.01 1ufr s ALA 131 N 1.76 2.66 0.01 5.97 0.00 0.41 -0.01 121.76 132.56 1ufr s ALA 131 Ca 0.01 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.06 1ufr s ALA 131 Cb -0.15 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 21.84 1ufr s ALA 131 CO -0.07 0.38 -0.02 0.14 0.00 0.00 0.00 175.76 176.19 1ufr s VAL 132 N -0.12 0.16 0.05 0.00 -7.23 -0.25 -1.03 120.40 111.98 1ufr s VAL 132 Ca -0.01 -0.30 -0.25 0.00 -1.81 0.00 0.00 61.98 59.60 1ufr s VAL 132 Cb -0.14 -0.18 -0.17 0.00 0.56 0.00 0.00 36.38 36.45 1ufr s VAL 132 CO 0.03 -0.10 1.56 0.25 -0.31 0.00 0.00 175.10 176.54 1ufr h LEU 133 N 5.71 -0.11 -7.97 1.32 5.85 -1.20 0.86 115.31 119.77 1ufr h LEU 133 Ca -0.27 -0.14 -0.34 0.00 0.84 0.00 0.00 57.88 57.97 1ufr h LEU 133 Cb 1.21 0.03 -0.28 0.00 0.37 0.00 0.00 40.66 41.99 1ufr h LEU 133 CO 0.48 0.07 -0.76 0.68 -0.34 0.00 0.00 178.44 178.57 1ufr s VAL 134 N -5.53 0.50 -0.29 1.05 -7.23 -0.37 -0.80 120.40 107.73 1ufr s VAL 134 Ca -0.14 -0.35 -0.02 0.00 -1.81 0.00 0.00 61.98 59.66 1ufr s VAL 134 Cb 0.04 -0.44 0.04 0.00 0.56 0.00 0.00 36.38 36.59 1ufr s VAL 134 CO 0.65 0.09 -0.01 -0.62 -0.31 0.00 0.00 175.10 174.90 1ufr s ASP 135 N -0.29 4.79 -0.20 4.85 2.15 -0.90 -0.94 116.67 126.13 1ufr s ASP 135 Ca 0.01 -1.17 0.11 0.00 0.43 0.00 0.00 52.55 51.94 1ufr s ASP 135 Cb -0.03 -1.71 0.68 0.00 -0.30 0.00 0.00 42.92 41.56 1ufr s ASP 135 CO -0.00 -0.23 1.55 -2.11 -0.17 0.00 0.00 175.17 174.20 1ufr n ARG 136 N 4.64 4.23 0.00 4.34 1.85 -0.74 -1.22 116.66 129.77 1ufr n ARG 136 Ca -0.14 -2.63 0.00 0.00 -1.00 0.00 0.00 57.85 54.08 1ufr n ARG 136 Cb 0.44 -2.14 0.00 0.00 -1.05 0.00 0.00 32.46 29.71 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 0.50 -0.35 1.98 2.89 0.00 -1.26 -4.20 105.19 104.75 1ufr n GLY 137 Ca 0.24 -0.96 -0.06 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.21 -0.74 -1.86 1.61 -0.00 -1.26 -4.39 115.22 107.37 1ufr n HIS 138 Ca 0.00 0.27 -0.37 0.00 -0.00 0.00 0.00 57.72 57.62 1ufr n HIS 138 Cb 0.00 -2.21 0.05 0.00 -0.00 0.00 0.00 29.99 27.83 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 -5.17 2.78 0.00 -0.41 1.81 -1.24 -3.85 118.95 112.88 1ufr s ARG 139 Ca 0.13 1.98 0.00 0.00 -1.72 0.00 0.00 55.73 56.12 1ufr s ARG 139 Cb -0.06 -1.92 0.00 0.00 -0.45 0.00 0.00 34.95 32.52 1ufr s ARG 139 CO 0.19 -1.39 0.41 0.39 -0.68 0.00 0.00 175.30 174.22 1ufr n GLU 140 N -1.68 0.13 -3.97 3.54 1.02 -0.10 -4.96 120.64 114.61 1ufr n GLU 140 Ca 0.14 -0.49 -0.08 0.00 -0.02 0.00 0.00 57.16 56.71 1ufr n GLU 140 Cb 0.48 -0.75 -0.09 0.00 -0.02 0.00 0.00 31.44 31.06 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 -0.16 1.94 0.00 -4.62 1.43 -1.20 -5.04 118.68 111.03 1ufr s LEU 141 Ca 0.00 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.35 1ufr s LEU 141 Cb 0.00 0.59 0.00 0.00 0.03 0.00 0.00 46.19 46.81 1ufr s LEU 141 CO 0.00 -0.62 1.15 -2.65 0.23 0.00 0.00 176.35 174.46 1ufr n PRO 142 N 0.24 0.73 -3.71 1.29 -0.02 -1.26 -4.84 135.00 127.42 1ufr n PRO 142 Ca -0.16 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.00 1ufr n PRO 142 Cb 0.61 -1.13 -0.05 0.00 -0.02 0.00 0.00 33.50 32.91 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 0.42 5.20 0.05 4.25 -1.09 -1.26 -5.10 121.20 123.68 1ufr s ILE 143 Ca 0.00 0.03 -0.12 0.00 -2.23 0.00 0.00 60.65 58.33 1ufr s ILE 143 Cb 0.00 -3.62 0.01 0.00 -1.58 0.00 0.00 42.46 37.27 1ufr s ILE 143 CO 0.00 0.11 0.26 -0.13 -1.23 0.00 0.00 174.94 173.96 1ufr s ARG 144 N -2.46 0.79 0.00 2.79 1.81 -1.26 -4.98 118.95 115.64 1ufr s ARG 144 Ca 0.38 -0.60 -0.20 0.00 -1.72 0.00 0.00 55.73 53.59 1ufr s ARG 144 Cb -0.13 0.34 -0.06 0.00 -0.45 0.00 0.00 34.95 34.66 1ufr s ARG 144 CO 0.23 -0.25 0.57 0.00 -0.68 0.00 0.00 175.30 175.17 1ufr s ALA 145 N -2.76 3.52 0.13 2.13 0.00 -1.26 -4.76 121.76 118.75 1ufr s ALA 145 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 51.96 51.89 1ufr s ALA 145 Cb -0.00 -2.69 -0.09 0.00 0.00 0.00 0.00 23.12 20.34 1ufr s ALA 145 CO -0.05 0.22 1.31 -0.44 0.00 0.00 0.00 175.76 176.81 1ufr h ASP 146 N 5.42 0.52 -3.76 0.00 3.32 -0.81 -3.44 116.42 117.66 1ufr h ASP 146 Ca -0.46 -0.42 -0.54 0.00 0.02 0.00 0.00 57.03 55.64 1ufr h ASP 146 Cb 1.20 -0.16 -0.32 0.00 0.22 0.00 0.00 39.33 40.28 1ufr h ASP 146 CO 0.68 1.21 -0.83 -0.36 -1.72 0.00 0.00 179.24 178.23 1ufr s PHE 147 N -3.27 1.57 -0.04 4.55 0.08 -0.80 -5.01 117.98 115.07 1ufr s PHE 147 Ca -0.06 -0.48 0.01 0.00 0.12 0.00 0.00 56.93 56.52 1ufr s PHE 147 Cb 0.09 -1.09 0.02 0.00 -0.57 0.00 0.00 43.02 41.47 1ufr s PHE 147 CO 0.86 -0.19 -0.03 0.08 -0.10 0.00 0.00 175.22 175.84 1ufr s VAL 148 N 0.21 0.43 -0.01 -0.44 1.01 -1.26 -1.09 120.40 119.25 1ufr s VAL 148 Ca -0.07 -0.08 -0.24 0.00 0.00 0.00 0.00 61.98 61.59 1ufr s VAL 148 Cb -0.12 -0.47 -0.17 0.00 0.00 0.00 0.00 36.38 35.62 1ufr s VAL 148 CO 0.03 0.19 1.20 1.23 0.00 0.00 0.00 175.10 177.75 1ufr h GLY 149 N 7.09 -0.25 -5.28 4.51 0.00 0.31 -3.47 103.07 105.98 1ufr h GLY 149 Ca -0.39 0.09 -0.09 0.00 0.00 0.00 0.00 47.33 46.94 1ufr h GLY 149 CO 0.48 -0.09 -0.16 1.25 0.00 0.00 0.00 176.54 178.01 1ufr s LYS 150 N -4.40 0.54 -0.20 4.80 2.20 0.02 -4.92 119.74 117.77 1ufr s LYS 150 Ca -0.14 0.76 -0.21 0.00 -0.36 0.00 0.00 55.97 56.02 1ufr s LYS 150 Cb 0.02 0.19 -0.02 0.00 -1.51 0.00 0.00 37.83 36.50 1ufr s LYS 150 CO 0.57 -0.10 0.64 -0.80 -0.36 0.00 0.00 175.35 175.30 1ufr s ASN 151 N 0.69 6.68 -0.30 1.43 0.01 -1.26 -2.11 114.94 120.08 1ufr s ASN 151 Ca -0.03 0.83 0.03 0.00 -0.71 0.00 0.00 52.86 52.98 1ufr s ASN 151 Cb -0.05 -2.35 0.08 0.00 0.41 0.00 0.00 41.25 39.34 1ufr s ASN 151 CO -0.05 -0.29 -0.01 -0.69 -1.51 0.00 0.00 177.10 174.55 1ufr s VAL 152 N 2.00 2.17 0.06 1.60 1.01 -0.36 -4.96 120.40 121.91 1ufr s VAL 152 Ca 0.29 -2.01 -0.31 0.00 0.00 0.00 0.00 61.98 59.95 1ufr s VAL 152 Cb -0.16 -2.47 -0.08 0.00 0.00 0.00 0.00 36.38 33.68 1ufr s VAL 152 CO 0.10 -0.37 1.59 -2.84 0.00 0.00 0.00 175.10 173.58 1ufr s PRO 153 N 1.02 4.22 0.31 2.72 0.02 -1.26 -4.16 135.00 137.86 1ufr s PRO 153 Ca 0.03 2.25 0.03 0.00 0.02 0.00 0.00 61.00 63.33 1ufr s PRO 153 Cb -0.19 -3.56 -0.06 0.00 0.02 0.00 0.00 34.50 30.71 1ufr s PRO 153 CO -0.07 -0.69 0.08 0.95 -0.33 0.00 0.00 177.00 176.94 1ufr s THR 154 N 2.46 0.94 0.19 0.99 -4.23 -1.26 -5.09 115.64 109.64 1ufr s THR 154 Ca 0.71 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.28 1ufr s THR 154 Cb -0.38 -2.72 -0.04 0.00 1.34 0.00 0.00 72.50 70.70 1ufr s THR 154 CO 0.31 0.00 0.14 -0.94 -0.54 0.00 0.00 174.62 173.59 1ufr s SER 155 N -3.44 5.44 0.31 3.99 1.04 -1.26 -5.00 113.70 114.79 1ufr s SER 155 Ca 0.36 -0.20 0.09 0.00 0.48 0.00 0.00 55.95 56.68 1ufr s SER 155 Cb 0.08 -1.39 0.88 0.00 0.10 0.00 0.00 66.02 65.69 1ufr s SER 155 CO 0.15 0.04 1.71 0.03 0.98 0.00 0.00 173.24 176.15 1ufr h ARG 156 N 2.16 0.47 0.00 4.02 3.08 -2.01 -1.24 114.38 120.86 1ufr h ARG 156 Ca -0.48 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.46 1ufr h ARG 156 Cb 1.21 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 1ufr h ARG 156 CO 0.62 0.31 -0.42 0.66 -1.07 0.00 0.00 179.97 180.07 1ufr h SER 157 N 0.49 0.00 -3.86 7.04 4.64 -1.95 -3.46 113.55 116.45 1ufr h SER 157 Ca 0.64 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 61.49 1ufr h SER 157 Cb 1.26 0.00 0.17 0.00 -0.31 0.00 0.00 62.40 63.52 1ufr h SER 157 CO -0.52 0.42 0.18 -1.61 -0.87 0.00 0.00 176.83 174.43 1ufr s GLU 158 N -3.18 0.52 -0.04 4.77 2.02 -0.47 -3.71 118.70 118.61 1ufr s GLU 158 Ca 0.03 0.85 -0.03 0.00 0.02 0.00 0.00 54.97 55.84 1ufr s GLU 158 Cb 0.08 -1.72 0.02 0.00 0.10 0.00 0.00 34.13 32.61 1ufr s GLU 158 CO 0.72 -2.76 0.11 0.08 0.02 0.00 0.00 175.26 173.43 1ufr s VAL 159 N -2.79 -0.01 -0.18 2.63 1.01 -0.05 -4.87 120.40 116.14 1ufr s VAL 159 Ca 0.65 0.04 -0.07 0.00 0.00 0.00 0.00 61.98 62.61 1ufr s VAL 159 Cb -0.20 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 1ufr s VAL 159 CO 0.59 0.02 0.04 -0.69 0.00 0.00 0.00 175.10 175.06 1ufr s VAL 160 N 0.30 4.61 -0.20 2.92 1.01 -1.26 -0.16 120.40 127.62 1ufr s VAL 160 Ca -0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 1ufr s VAL 160 Cb -0.03 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1ufr s VAL 160 CO -0.01 0.46 -0.11 -0.54 0.00 0.00 0.00 175.10 174.90 1ufr s LYS 161 N 0.40 3.23 -0.21 2.72 1.02 -0.04 -4.99 119.74 121.86 1ufr s LYS 161 Ca 0.02 -0.71 -0.08 0.00 0.02 0.00 0.00 55.97 55.22 1ufr s LYS 161 Cb -0.13 -2.81 -0.04 0.00 -0.52 0.00 0.00 37.83 34.34 1ufr s LYS 161 CO 0.01 -0.16 0.08 0.08 -0.92 0.00 0.00 175.35 174.44 1ufr s VAL 162 N 1.30 4.74 -0.08 3.17 1.01 -1.26 -0.49 120.40 128.78 1ufr s VAL 162 Ca 0.04 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.01 1ufr s VAL 162 Cb -0.14 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 1ufr s VAL 162 CO -0.06 0.40 -0.16 -0.54 0.00 0.00 0.00 175.10 174.74 1ufr s LYS 163 N 0.88 2.84 0.00 2.72 1.02 0.25 -4.99 119.74 122.46 1ufr s LYS 163 Ca 0.04 -0.74 0.02 0.00 0.02 0.00 0.00 55.97 55.31 1ufr s LYS 163 Cb -0.14 -2.42 -0.01 0.00 -0.52 0.00 0.00 37.83 34.75 1ufr s LYS 163 CO 0.03 0.41 -0.06 0.14 -0.92 0.00 0.00 175.35 174.95 1ufr s VAL 164 N -0.20 0.49 0.11 3.17 -7.23 -0.48 -0.42 120.40 115.84 1ufr s VAL 164 Ca -0.01 -0.34 -0.21 0.00 -1.81 0.00 0.00 61.98 59.61 1ufr s VAL 164 Cb -0.13 -0.43 -0.05 0.00 0.56 0.00 0.00 36.38 36.33 1ufr s VAL 164 CO 0.03 0.09 1.27 -0.62 -0.31 0.00 0.00 175.10 175.56 1ufr n GLU 165 N 2.79 -0.30 -0.02 4.82 -0.58 -1.17 0.10 120.64 126.28 1ufr n GLU 165 Ca -0.14 1.25 0.24 0.00 -0.42 0.00 0.00 57.16 58.09 1ufr n GLU 165 Cb 0.58 -1.84 0.68 0.00 -0.57 0.00 0.00 31.44 30.28 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 0.23 114.58 119.43 1ufr h GLU 166 Ca 0.11 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.92 1ufr h GLU 166 Cb 0.28 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 1ufr h GLU 166 CO -0.65 0.00 -1.20 0.28 -1.40 0.00 0.00 179.01 176.04 1ufr n VAL 167 N -3.65 0.20 0.42 3.13 0.31 -0.01 -4.82 118.33 113.91 1ufr n VAL 167 Ca 0.13 -0.09 0.05 0.00 -0.01 0.00 0.00 64.34 64.42 1ufr n VAL 167 Cb 0.89 -0.70 0.03 0.00 -0.91 0.00 0.00 33.84 33.15 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 -2.48 1.67 0.00 4.52 8.00 0.28 -4.97 116.55 123.58 1ufr n ASP 168 Ca -0.06 -1.34 0.00 0.00 0.71 0.00 0.00 54.79 54.10 1ufr n ASP 168 Cb 0.57 0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.79 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 0.64 0.69 3.58 0.44 0.00 0.06 -4.90 105.19 105.70 1ufr n GLY 169 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.21 0.88 -0.47 1.61 2.12 -1.26 -4.75 118.70 116.62 1ufr s GLU 170 Ca 0.00 0.77 -0.19 0.00 0.36 0.00 0.00 54.97 55.90 1ufr s GLU 170 Cb 0.00 0.42 0.04 0.00 0.26 0.00 0.00 34.13 34.85 1ufr s GLU 170 CO 0.00 -0.16 0.60 -0.51 -0.54 0.00 0.00 175.26 174.65 1ufr s ASP 171 N -0.07 6.25 -0.11 -1.70 1.01 -1.26 -1.39 116.67 119.41 1ufr s ASP 171 Ca -0.03 -0.66 -0.30 0.00 0.71 0.00 0.00 52.55 52.27 1ufr s ASP 171 Cb -0.04 -2.29 0.09 0.00 1.01 0.00 0.00 42.92 41.69 1ufr s ASP 171 CO 0.03 -0.79 0.77 -0.60 0.21 0.00 0.00 175.17 174.79 1ufr s ARG 172 N 2.61 0.90 -0.19 8.23 3.52 0.44 -2.80 118.95 131.67 1ufr s ARG 172 Ca 0.17 0.32 0.01 0.00 -0.13 0.00 0.00 55.73 56.10 1ufr s ARG 172 Cb -0.17 0.43 0.02 0.00 -1.56 0.00 0.00 34.95 33.67 1ufr s ARG 172 CO 0.15 -0.26 -0.19 0.08 -0.81 0.00 0.00 175.30 174.27 1ufr s VAL 173 N -0.95 2.17 0.08 7.11 1.01 -1.26 0.84 120.40 129.40 1ufr s VAL 173 Ca -0.07 -0.92 0.07 0.00 0.00 0.00 0.00 61.98 61.06 1ufr s VAL 173 Cb -0.01 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 1ufr s VAL 173 CO 0.06 0.52 -0.13 -1.61 0.00 0.00 0.00 175.10 173.94 1ufr s GLU 174 N 1.30 2.09 -0.18 2.72 2.02 0.35 0.07 118.70 127.08 1ufr s GLU 174 Ca 0.05 -1.01 -0.04 0.00 0.02 0.00 0.00 54.97 53.99 1ufr s GLU 174 Cb -0.13 -2.26 -0.02 0.00 0.10 0.00 0.00 34.13 31.81 1ufr s GLU 174 CO -0.12 0.52 -0.04 -1.17 0.02 0.00 0.00 175.26 174.47 1ufr s LEU 175 N -1.93 3.09 0.39 1.80 2.96 0.50 -0.86 118.68 124.63 1ufr s LEU 175 Ca 0.19 -0.24 0.07 0.00 -0.22 0.00 0.00 54.13 53.92 1ufr s LEU 175 Cb -0.11 -1.76 -0.08 0.00 0.50 0.00 0.00 46.19 44.75 1ufr s LEU 175 CO 0.10 0.09 0.01 0.26 -1.32 0.00 0.00 176.35 175.50 1ufr s TRP 176 N 0.83 2.40 -0.04 5.38 0.52 0.77 -0.57 118.94 128.23 1ufr s TRP 176 Ca -0.01 -0.72 -0.25 0.00 0.02 0.00 0.00 56.10 55.15 1ufr s TRP 176 Cb -0.15 -1.65 0.05 0.00 -1.15 0.00 0.00 33.47 30.58 1ufr s TRP 176 CO 0.02 0.37 0.54 -2.00 0.02 0.00 0.00 176.95 175.90 1ufr s GLU 177 N -3.74 0.90 0.00 4.98 2.12 0.64 -0.87 118.70 122.73 1ufr s GLU 177 Ca 0.35 0.12 0.08 0.00 0.36 0.00 0.00 54.97 55.88 1ufr s GLU 177 Cb 0.09 0.42 0.06 0.00 0.26 0.00 0.00 34.13 34.96 1ufr s GLU 177 CO 0.17 -0.27 0.75 -2.13 -0.54 0.00 0.00 175.26 173.25