#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 3.68 -0.10 -1.55 5.36 -1.26 -0.36 117.98 123.74 1ufr s PHE 3 Ca 0.00 1.71 -0.04 0.00 -0.96 0.00 0.00 56.93 57.64 1ufr s PHE 3 Cb 0.00 -3.11 -0.05 0.00 -0.34 0.00 0.00 43.02 39.52 1ufr s PHE 3 CO 0.00 0.01 -0.13 1.17 -1.46 0.00 0.00 175.22 174.82 1ufr n LYS 4 N 3.75 0.23 -3.59 10.12 4.81 0.14 -4.89 118.16 128.73 1ufr n LYS 4 Ca 0.06 0.09 -0.06 0.00 -0.87 0.00 0.00 58.31 57.53 1ufr n LYS 4 Cb 0.51 -0.95 -0.02 0.00 0.02 0.00 0.00 35.03 34.59 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 -1.85 -0.27 3.14 0.00 -0.96 -5.00 121.76 114.63 1ufr s ALA 5 Ca -0.14 0.84 -0.17 0.00 0.00 0.00 0.00 51.96 52.49 1ufr s ALA 5 Cb 0.05 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.54 1ufr s ALA 5 CO 0.20 -0.79 0.48 -2.00 0.00 0.00 0.00 175.76 173.64 1ufr s GLU 6 N -3.01 4.00 0.00 0.00 2.12 -1.26 -0.29 118.70 120.27 1ufr s GLU 6 Ca 0.08 0.20 0.28 0.00 0.36 0.00 0.00 54.97 55.89 1ufr s GLU 6 Cb -0.01 -3.67 1.08 0.00 0.26 0.00 0.00 34.13 31.79 1ufr s GLU 6 CO -0.05 -0.37 1.80 1.28 -0.54 0.00 0.00 175.26 177.38 1ufr n LEU 7 N 5.51 0.22 -4.03 2.70 4.77 0.14 -4.94 117.00 121.37 1ufr n LEU 7 Ca -0.05 0.26 -0.10 0.00 -0.03 0.00 0.00 56.01 56.09 1ufr n LEU 7 Cb 0.50 -0.36 -0.06 0.00 -2.33 0.00 0.00 43.42 41.17 1ufr n LEU 7 CO 0.40 0.05 0.08 0.54 -1.33 0.00 0.00 177.39 177.13 1ufr s ASN 9 N -2.86 -0.04 0.22 -1.43 2.20 -1.26 -4.97 114.94 106.80 1ufr s ASN 9 Ca 0.17 -1.00 -0.17 0.00 -0.94 0.00 0.00 52.86 50.93 1ufr s ASN 9 Cb 0.19 0.53 0.23 0.00 -2.00 0.00 0.00 41.25 40.20 1ufr s ASN 9 CO 0.56 -1.06 1.58 0.00 -2.94 0.00 0.00 177.10 175.24 1ufr h ALA 10 N 2.35 0.20 -0.55 3.54 0.00 -1.94 -2.10 119.26 120.76 1ufr h ALA 10 Ca -0.29 0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1ufr h ALA 10 Cb 1.25 0.78 -0.04 0.00 0.00 0.00 0.00 17.79 19.78 1ufr h ALA 10 CO 0.40 -0.57 0.32 -1.35 0.00 0.00 0.00 179.25 178.05 1ufr h PRO 11 N -0.07 0.60 -0.98 0.00 0.11 -2.06 -0.94 132.00 128.67 1ufr h PRO 11 Ca 0.31 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.39 1ufr h PRO 11 Cb 0.58 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1ufr h PRO 11 CO -0.81 0.40 0.00 0.39 -0.21 0.00 0.00 178.00 177.77 1ufr n GLU 12 N -4.80 0.16 0.00 1.05 1.02 -0.79 -1.57 120.64 115.71 1ufr n GLU 12 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1ufr n GLU 12 Cb 0.10 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 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 0.66 0.00 -0.11 3.49 0.63 -0.36 -1.70 116.66 119.28 1ufr n ARG 14 Ca 0.00 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.86 1ufr n ARG 14 Cb 0.06 0.00 0.01 0.00 0.45 0.00 0.00 32.46 32.98 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 0.39 -0.28 -0.14 2.43 -1.55 -1.23 114.38 114.00 1ufr h ARG 15 Ca 0.00 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1ufr h ARG 15 Cb 0.00 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1ufr h ARG 15 CO 0.00 0.26 0.07 0.00 -1.51 0.00 0.00 179.97 178.79 1ufr h ALA 16 N 1.18 0.37 -0.17 2.80 0.00 -1.58 -2.13 119.26 119.72 1ufr h ALA 16 Ca 0.15 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ufr h ALA 16 Cb 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1ufr h ALA 16 CO -0.09 0.03 0.10 -0.07 0.00 0.00 0.00 179.25 179.22 1ufr h LEU 17 N 0.29 0.20 -0.25 0.00 3.38 -1.76 0.30 115.31 117.46 1ufr h LEU 17 Ca 0.09 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1ufr h LEU 17 Cb 0.29 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1ufr h LEU 17 CO 0.00 0.16 -0.25 1.88 0.09 0.00 0.00 178.44 180.32 1ufr h TYR 18 N 0.23 0.74 -0.55 1.13 -1.99 -0.83 -0.77 116.97 114.94 1ufr h TYR 18 Ca 0.06 -0.22 -0.01 0.00 2.00 0.00 0.00 58.73 60.56 1ufr h TYR 18 Cb -0.00 -0.15 -0.03 0.00 2.00 0.00 0.00 36.73 38.55 1ufr h TYR 18 CO 0.00 0.93 0.31 -0.09 -0.00 0.00 0.00 178.16 179.32 1ufr h ARG 19 N 0.33 0.75 0.08 4.88 2.43 -0.72 -0.84 114.38 121.29 1ufr h ARG 19 Ca 0.04 -0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1ufr h ARG 19 Cb 0.81 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.17 1ufr h ARG 19 CO 0.06 0.56 -0.29 0.82 -1.51 0.00 0.00 179.97 179.62 1ufr h ILE 20 N 0.73 0.37 -0.44 1.20 1.08 -0.81 0.21 117.51 119.86 1ufr h ILE 20 Ca 0.19 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.74 1ufr h ILE 20 Cb 0.02 0.37 -0.09 0.00 -3.07 0.00 0.00 36.82 34.05 1ufr h ILE 20 CO -0.03 0.00 -0.40 0.00 -0.69 0.00 0.00 178.15 177.03 1ufr h ALA 21 N 0.24 -0.32 0.39 1.87 0.00 -0.67 0.16 119.26 120.94 1ufr h ALA 21 Ca 0.04 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1ufr h ALA 21 Cb 0.53 0.84 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1ufr h ALA 21 CO -0.19 -0.81 -0.31 0.45 0.00 0.00 0.00 179.25 178.39 1ufr h HIS 22 N -0.28 -0.84 -1.00 0.00 3.86 -0.76 -2.01 115.15 114.12 1ufr h HIS 22 Ca 0.16 -0.00 0.22 0.00 -1.16 0.00 0.00 60.37 59.59 1ufr h HIS 22 Cb 0.57 0.31 -0.10 0.00 1.06 0.00 0.00 27.41 29.25 1ufr h HIS 22 CO -0.61 -0.46 0.62 0.93 0.86 0.00 0.00 177.93 179.27 1ufr h GLU 23 N -0.71 0.57 0.12 2.45 5.08 0.14 0.20 114.58 122.42 1ufr h GLU 23 Ca -0.03 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1ufr h GLU 23 Cb 0.61 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1ufr h GLU 23 CO -0.01 0.38 -0.06 0.82 -1.00 0.00 0.00 179.01 179.14 1ufr h ILE 24 N 0.59 0.98 -0.29 3.13 2.04 -0.21 -0.66 117.51 123.09 1ufr h ILE 24 Ca 0.58 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 66.06 1ufr h ILE 24 Cb 1.15 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 1ufr h ILE 24 CO -0.35 0.09 0.16 0.58 0.00 0.00 0.00 178.15 178.63 1ufr h VAL 25 N -0.33 1.12 -0.95 1.67 2.07 -0.40 -0.16 116.25 119.27 1ufr h VAL 25 Ca -0.02 -0.31 0.11 0.00 0.82 0.00 0.00 66.70 67.31 1ufr h VAL 25 Cb 0.27 0.80 -0.08 0.00 -1.52 0.00 0.00 31.29 30.77 1ufr h VAL 25 CO 0.03 0.12 0.59 -0.33 0.02 0.00 0.00 177.57 177.99 1ufr h GLU 26 N 0.35 0.92 -0.36 1.57 5.08 -0.63 0.11 114.58 121.62 1ufr h GLU 26 Ca 0.10 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1ufr h GLU 26 Cb 0.05 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1ufr h GLU 26 CO -0.02 0.61 0.04 0.00 -1.00 0.00 0.00 179.01 178.64 1ufr h ALA 27 N 1.51 0.48 -0.14 3.43 0.00 -0.32 -2.64 119.26 121.57 1ufr h ALA 27 Ca 0.46 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1ufr h ALA 27 Cb 0.43 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ufr h ALA 27 CO -0.26 0.20 0.00 -1.71 0.00 0.00 0.00 179.25 177.48 1ufr n ASN 28 N -4.55 0.93 -2.52 0.00 4.05 -0.15 -4.88 115.26 108.14 1ufr n ASN 28 Ca -0.01 -1.83 -0.12 0.00 0.45 0.00 0.00 54.58 53.06 1ufr n ASN 28 Cb 0.24 -0.10 -0.00 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 -0.06 -2.41 -0.51 1.20 4.76 0.31 -4.64 118.16 116.80 1ufr n LYS 29 Ca 0.10 0.54 0.00 0.00 -2.87 0.00 0.00 58.31 56.07 1ufr n LYS 29 Cb 0.17 -5.14 0.00 0.00 -1.84 0.00 0.00 35.03 28.22 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 -0.81 0.76 0.31 0.72 0.00 -0.73 -4.88 105.19 100.57 1ufr n GLY 30 Ca -0.12 -1.80 0.08 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.69 2.61 -1.04 -1.26 -4.69 114.28 117.21 1ufr n THR 31 Ca 0.00 -0.28 -0.53 0.00 -2.04 0.00 0.00 64.05 61.20 1ufr n THR 31 Cb 0.00 1.16 -0.06 0.00 -1.82 0.00 0.00 70.33 69.61 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 -0.35 1.63 -1.39 -2.82 0.00 -1.26 -1.64 120.64 114.80 1ufr n GLU 32 Ca 0.06 0.60 -0.14 0.00 0.00 0.00 0.00 57.16 57.67 1ufr n GLU 32 Cb 0.34 -2.35 -0.06 0.00 0.00 0.00 0.00 31.44 29.37 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 4.10 1.37 3.79 8.31 0.00 -1.26 -4.73 105.19 116.78 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 -3.58 4.53 -0.07 0.99 2.96 -0.65 -0.16 118.68 122.69 1ufr s LEU 34 Ca 0.00 1.50 -0.25 0.00 -0.22 0.00 0.00 54.13 55.16 1ufr s LEU 34 Cb 0.00 -3.23 0.05 0.00 0.50 0.00 0.00 46.19 43.51 1ufr s LEU 34 CO 0.00 0.20 0.56 0.00 -1.32 0.00 0.00 176.35 175.79 1ufr s ALA 35 N -1.21 -1.45 0.08 5.97 0.00 -0.54 -4.28 121.76 120.34 1ufr s ALA 35 Ca 0.35 1.11 0.07 0.00 0.00 0.00 0.00 51.96 53.48 1ufr s ALA 35 Cb -0.21 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 1ufr s ALA 35 CO 0.23 -0.32 -0.11 -0.51 0.00 0.00 0.00 175.76 175.05 1ufr s LEU 36 N -0.97 2.98 -0.10 0.00 1.43 -0.33 -0.50 118.68 121.19 1ufr s LEU 36 Ca -0.10 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 52.62 1ufr s LEU 36 Cb -0.02 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.46 1ufr s LEU 36 CO 0.07 0.20 -0.03 -0.69 0.23 0.00 0.00 176.35 176.13 1ufr s VAL 37 N -1.15 0.64 0.02 -1.59 1.01 0.31 0.12 120.40 119.76 1ufr s VAL 37 Ca 0.20 -0.09 -0.18 0.00 0.00 0.00 0.00 61.98 61.92 1ufr s VAL 37 Cb -0.11 -0.77 -0.06 0.00 0.00 0.00 0.00 36.38 35.44 1ufr s VAL 37 CO 0.12 0.27 0.50 -0.83 0.00 0.00 0.00 175.10 175.15 1ufr s GLY 38 N 1.86 2.57 0.33 4.51 0.00 -0.12 -0.09 107.32 116.38 1ufr s GLY 38 Ca 0.04 -0.08 0.04 0.00 0.00 0.00 0.00 44.72 44.72 1ufr s GLY 38 CO -0.07 0.39 0.14 0.29 0.00 0.00 0.00 173.10 173.86 1ufr n ILE 39 N 2.00 0.00 -4.19 0.90 -5.35 -0.66 -1.12 119.36 110.94 1ufr n ILE 39 Ca -0.11 -1.98 -0.34 0.00 -0.27 0.00 0.00 62.75 60.04 1ufr n ILE 39 Cb 0.51 0.77 -0.03 0.00 -1.74 0.00 0.00 39.64 39.15 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 -0.72 -1.66 0.00 4.28 -0.00 -1.12 -1.91 115.22 114.10 1ufr n HIS 40 Ca -0.03 0.77 0.00 0.00 -0.00 0.00 0.00 57.72 58.46 1ufr n HIS 40 Cb 0.51 -3.04 0.00 0.00 -0.00 0.00 0.00 29.99 27.45 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 0.70 3.57 -1.04 -1.26 -3.87 114.28 107.99 1ufr n THR 41 Ca -0.03 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.05 1ufr n THR 41 Cb 0.54 0.00 0.36 0.00 -1.82 0.00 0.00 70.33 69.41 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 0.25 0.10 -2.82 1.74 -1.26 -2.01 116.66 112.65 1ufr n ARG 42 Ca 0.00 0.12 -0.05 0.00 -0.77 0.00 0.00 57.85 57.15 1ufr n ARG 42 Cb 0.00 -1.50 0.09 0.00 -1.02 0.00 0.00 32.46 30.03 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 2.25 0.18 0.62 -0.13 0.00 -1.49 -3.01 103.07 101.49 1ufr h GLY 43 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1ufr h GLY 43 CO 0.00 0.22 -0.43 -2.22 0.00 0.00 0.00 176.54 174.12 1ufr h ILE 44 N 0.11 0.15 -0.98 2.60 5.03 -1.51 1.00 117.51 123.91 1ufr h ILE 44 Ca -0.02 0.00 0.09 0.00 -0.12 0.00 0.00 64.86 64.81 1ufr h ILE 44 Cb 1.24 0.15 -0.07 0.00 -3.03 0.00 0.00 36.82 35.10 1ufr h ILE 44 CO 0.10 0.00 0.62 -0.65 -0.68 0.00 0.00 178.15 177.54 1ufr h PRO 45 N -0.90 1.02 -0.32 2.37 0.11 -1.73 -0.76 132.00 131.78 1ufr h PRO 45 Ca -0.05 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.93 1ufr h PRO 45 Cb 0.78 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.65 1ufr h PRO 45 CO -0.04 0.67 -0.11 -0.07 -0.21 0.00 0.00 178.00 178.25 1ufr h LEU 46 N 1.05 0.52 0.06 2.35 3.38 -1.34 -1.64 115.31 119.68 1ufr h LEU 46 Ca 0.45 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.29 1ufr h LEU 46 Cb 0.32 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1ufr h LEU 46 CO -0.22 0.66 -0.03 0.00 0.09 0.00 0.00 178.44 178.94 1ufr h ALA 47 N 1.39 -0.08 -0.67 1.53 0.00 0.61 -0.66 119.26 121.39 1ufr h ALA 47 Ca 0.09 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 54.99 1ufr h ALA 47 Cb 0.49 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 1ufr h ALA 47 CO 0.03 -0.43 0.23 0.45 0.00 0.00 0.00 179.25 179.53 1ufr h HIS 48 N -0.31 0.39 -0.50 0.00 3.86 -1.12 0.18 115.15 117.65 1ufr h HIS 48 Ca -0.01 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.20 1ufr h HIS 48 Cb 0.28 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 1ufr h HIS 48 CO 0.00 0.05 0.16 0.00 0.86 0.00 0.00 177.93 179.00 1ufr h ARG 49 N 0.39 0.78 -0.63 2.45 3.08 -1.15 0.16 114.38 119.46 1ufr h ARG 49 Ca 0.35 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 1ufr h ARG 49 Cb 0.50 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 1ufr h ARG 49 CO -0.37 0.73 0.34 0.82 -1.07 0.00 0.00 179.97 180.42 1ufr h ILE 50 N 0.68 1.19 -0.33 2.04 2.04 0.33 0.19 117.51 123.65 1ufr h ILE 50 Ca 0.16 -0.48 -0.09 0.00 1.00 0.00 0.00 64.86 65.46 1ufr h ILE 50 Cb 0.27 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1ufr h ILE 50 CO -0.01 0.21 -0.13 0.00 0.00 0.00 0.00 178.15 178.22 1ufr h ALA 51 N 1.51 0.46 -0.39 1.87 0.00 -0.11 -1.44 119.26 121.16 1ufr h ALA 51 Ca 0.22 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1ufr h ALA 51 Cb 0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1ufr h ALA 51 CO -0.04 0.35 0.13 -0.09 0.00 0.00 0.00 179.25 179.60 1ufr h ARG 52 N 0.45 0.27 -0.41 0.00 2.43 0.25 -1.36 114.38 116.01 1ufr h ARG 52 Ca 0.08 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.13 1ufr h ARG 52 Cb 0.66 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 1ufr h ARG 52 CO 0.04 0.18 -0.14 0.74 -1.51 0.00 0.00 179.97 179.28 1ufr h PHE 53 N 0.28 0.83 -0.05 2.20 0.04 -0.86 -1.82 116.94 117.56 1ufr h PHE 53 Ca 0.18 -0.16 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 1ufr h PHE 53 Cb 0.17 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 38.11 1ufr h PHE 53 CO -0.16 0.85 0.02 0.82 -0.60 0.00 0.00 178.31 179.24 1ufr h ILE 54 N 0.67 1.12 -0.22 -0.55 2.04 -0.72 -2.32 117.51 117.53 1ufr h ILE 54 Ca 0.11 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 1ufr h ILE 54 Cb 0.62 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 1ufr h ILE 54 CO 0.04 0.10 0.13 0.00 0.00 0.00 0.00 178.15 178.42 1ufr h ALA 55 N 0.88 1.83 0.00 1.87 0.00 -1.19 0.43 119.26 123.08 1ufr h ALA 55 Ca 0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1ufr h ALA 55 Cb 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1ufr h ALA 55 CO -0.00 0.15 -0.23 1.49 0.00 0.00 0.00 179.25 180.66 1ufr h GLU 56 N 0.29 0.00 0.00 0.00 4.81 -0.78 0.42 114.58 119.32 1ufr h GLU 56 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1ufr h GLU 56 Cb -0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1ufr h GLU 56 CO -0.02 0.23 0.00 1.97 -0.73 0.00 0.00 179.01 180.47 1ufr n PHE 57 N -4.24 0.00 0.00 0.92 1.16 -0.74 -4.70 117.46 109.86 1ufr n PHE 57 Ca -0.02 -0.31 0.00 0.00 -1.87 0.00 0.00 57.45 55.25 1ufr n PHE 57 Cb 0.29 -0.03 0.00 0.00 -1.61 0.00 0.00 39.48 38.13 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 -0.31 2.82 0.00 3.97 4.07 0.14 -5.07 120.64 126.27 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 0.26 -0.93 0.00 0.00 -0.06 0.00 0.00 31.44 30.71 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 2.53 1.88 3.72 8.31 0.00 0.13 -4.99 105.19 116.77 1ufr n GLY 59 Ca 0.00 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 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 1.99 -0.02 1.61 0.00 -1.26 -4.75 119.74 117.31 1ufr s LYS 60 Ca 0.00 1.66 -0.09 0.00 0.00 0.00 0.00 55.97 57.54 1ufr s LYS 60 Cb 0.00 -1.83 -0.05 0.00 0.00 0.00 0.00 37.83 35.95 1ufr s LYS 60 CO 0.00 -1.92 0.28 -2.00 0.00 0.00 0.00 175.35 171.70 1ufr s GLU 61 N -4.12 3.63 -0.17 1.78 2.12 -1.26 -3.94 118.70 116.74 1ufr s GLU 61 Ca 0.72 0.04 -0.07 0.00 0.36 0.00 0.00 54.97 56.02 1ufr s GLU 61 Cb -0.27 -3.13 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 1ufr s GLU 61 CO 0.48 0.69 0.05 0.08 -0.54 0.00 0.00 175.26 176.02 1ufr s VAL 62 N -1.19 4.72 0.43 3.70 1.01 -1.26 -5.07 120.40 122.75 1ufr s VAL 62 Ca 0.24 -0.06 -0.25 0.00 0.00 0.00 0.00 61.98 61.91 1ufr s VAL 62 Cb -0.14 -3.11 -0.08 0.00 0.00 0.00 0.00 36.38 33.05 1ufr s VAL 62 CO 0.12 0.48 1.26 -2.84 0.00 0.00 0.00 175.10 174.13 1ufr s PRO 63 N 0.25 3.86 -0.21 2.72 0.02 -1.26 -4.87 135.00 135.51 1ufr s PRO 63 Ca 0.03 2.05 0.01 0.00 0.02 0.00 0.00 61.00 63.12 1ufr s PRO 63 Cb -0.12 -2.64 0.04 0.00 0.02 0.00 0.00 34.50 31.80 1ufr s PRO 63 CO 0.01 -0.55 -0.11 0.08 -0.33 0.00 0.00 177.00 176.10 1ufr s VAL 64 N -1.34 1.79 0.47 3.83 1.01 -1.26 -1.18 120.40 123.72 1ufr s VAL 64 Ca 0.59 -1.13 0.02 0.00 0.00 0.00 0.00 61.98 61.46 1ufr s VAL 64 Cb -0.36 -1.85 0.01 0.00 0.00 0.00 0.00 36.38 34.19 1ufr s VAL 64 CO 0.45 0.16 0.68 -0.83 0.00 0.00 0.00 175.10 175.55 1ufr s GLY 65 N 1.33 1.69 -0.05 4.51 0.00 0.33 -4.90 107.32 110.22 1ufr s GLY 65 Ca -0.02 -1.24 0.03 0.00 0.00 0.00 0.00 44.72 43.49 1ufr s GLY 65 CO -0.08 -1.04 -0.14 0.14 0.00 0.00 0.00 173.10 171.98 1ufr s VAL 66 N -2.57 1.19 -0.42 1.40 1.01 0.96 -0.95 120.40 121.02 1ufr s VAL 66 Ca 0.52 -0.56 0.07 0.00 0.00 0.00 0.00 61.98 62.00 1ufr s VAL 66 Cb -0.10 -1.05 0.22 0.00 0.00 0.00 0.00 36.38 35.45 1ufr s VAL 66 CO 0.37 0.36 0.53 -0.11 0.00 0.00 0.00 175.10 176.24 1ufr n LEU 67 N 3.42 -0.66 -4.58 3.92 7.94 -0.28 -0.12 117.00 126.64 1ufr n LEU 67 Ca -0.20 -4.30 -0.30 0.00 -1.11 0.00 0.00 56.01 50.10 1ufr n LEU 67 Cb 0.53 0.65 -0.05 0.00 0.53 0.00 0.00 43.42 45.07 1ufr n LEU 67 CO 0.25 1.99 1.56 -0.62 -1.11 0.00 0.00 177.39 179.46 1ufr s ASP 68 N -0.73 5.27 -0.04 1.96 -1.08 -0.92 -4.17 116.67 116.95 1ufr s ASP 68 Ca 0.34 -1.72 -0.00 0.00 -0.52 0.00 0.00 52.55 50.64 1ufr s ASP 68 Cb 0.13 -2.59 -0.03 0.00 -1.46 0.00 0.00 42.92 38.97 1ufr s ASP 68 CO -0.15 -2.82 0.01 -0.51 0.52 0.00 0.00 175.17 172.22 1ufr s ILE 69 N 10.10 4.30 -0.04 4.11 2.07 -1.26 -1.41 121.20 139.07 1ufr s ILE 69 Ca 0.66 -0.42 -0.12 0.00 -1.41 0.00 0.00 60.65 59.37 1ufr s ILE 69 Cb -0.00 -2.87 0.02 0.00 0.13 0.00 0.00 42.46 39.73 1ufr s ILE 69 CO 0.12 0.48 0.26 -0.89 -1.91 0.00 0.00 174.94 173.00 1ufr s THR 70 N -1.01 0.05 -0.18 4.00 2.01 0.34 -2.78 115.64 118.07 1ufr s THR 70 Ca 0.17 -0.37 -0.06 0.00 0.31 0.00 0.00 61.69 61.74 1ufr s THR 70 Cb -0.11 -0.51 -0.03 0.00 0.01 0.00 0.00 72.50 71.86 1ufr s THR 70 CO 0.07 -0.21 0.03 -0.76 -0.69 0.00 0.00 174.62 173.07 1ufr s LEU 71 N -0.87 3.57 -1.26 4.42 1.43 -1.26 0.64 118.68 125.34 1ufr s LEU 71 Ca -0.10 -0.04 -0.08 0.00 -1.03 0.00 0.00 54.13 52.89 1ufr s LEU 71 Cb -0.05 -1.90 0.18 0.00 0.03 0.00 0.00 46.19 44.45 1ufr s LEU 71 CO 0.02 0.14 1.91 -2.65 0.23 0.00 0.00 176.35 176.00 1ufr n PRO 83 N 3.77 3.90 -4.20 1.29 -0.02 -1.26 -5.17 135.00 133.31 1ufr n PRO 83 Ca -0.17 -3.65 -0.20 0.00 -2.02 0.00 0.00 63.50 57.47 1ufr n PRO 83 Cb 0.52 -2.83 -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 -0.29 0.89 -0.03 -0.52 0.74 0.21 -5.14 119.66 115.52 1ufr s GLN 84 Ca 0.41 -1.01 -0.01 0.00 0.05 0.00 0.00 55.36 54.80 1ufr s GLN 84 Cb 0.11 -0.95 0.03 0.00 1.10 0.00 0.00 33.01 33.29 1ufr s GLN 84 CO -0.00 0.21 0.04 0.08 -0.55 0.00 0.00 175.29 175.07 1ufr s VAL 85 N -1.29 -0.03 0.12 1.34 1.01 -1.25 0.13 120.40 120.43 1ufr s VAL 85 Ca 0.00 0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.31 1ufr s VAL 85 Cb -0.10 -0.15 -0.21 0.00 0.00 0.00 0.00 36.38 35.92 1ufr s VAL 85 CO 0.03 0.14 1.28 0.03 0.00 0.00 0.00 175.10 176.58 1ufr h ARG 86 N 7.77 0.07 -1.72 2.72 3.08 -1.64 -3.47 114.38 121.19 1ufr h ARG 86 Ca -0.31 -0.11 0.07 0.00 0.07 0.00 0.00 59.98 59.69 1ufr h ARG 86 Cb 1.12 0.04 -0.25 0.00 0.08 0.00 0.00 29.97 30.96 1ufr h ARG 86 CO 0.34 1.02 0.27 -2.00 -1.07 0.00 0.00 179.97 178.53 1ufr s GLU 87 N -2.79 0.53 -0.17 0.04 2.12 -1.26 -5.05 118.70 112.11 1ufr s GLU 87 Ca -0.00 0.84 0.01 0.00 0.36 0.00 0.00 54.97 56.18 1ufr s GLU 87 Cb 0.10 0.15 0.02 0.00 0.26 0.00 0.00 34.13 34.65 1ufr s GLU 87 CO 0.83 -0.10 -0.19 0.99 -0.54 0.00 0.00 175.26 176.25 1ufr s THR 88 N 1.16 2.00 -0.24 -1.70 2.01 -1.26 -2.17 115.64 115.45 1ufr s THR 88 Ca -0.07 -0.91 -0.03 0.00 0.31 0.00 0.00 61.69 61.00 1ufr s THR 88 Cb -0.04 -1.81 0.08 0.00 0.01 0.00 0.00 72.50 70.73 1ufr s THR 88 CO -0.14 0.53 0.09 -0.13 -0.69 0.00 0.00 174.62 174.28 1ufr s ARG 89 N 1.28 0.43 -0.52 4.92 0.52 0.82 -4.99 118.95 121.40 1ufr s ARG 89 Ca 0.04 -0.53 0.04 0.00 -0.52 0.00 0.00 55.73 54.75 1ufr s ARG 89 Cb -0.13 -1.76 0.14 0.00 0.52 0.00 0.00 34.95 33.72 1ufr s ARG 89 CO -0.12 -0.83 0.31 0.42 0.02 0.00 0.00 175.30 175.10 1ufr s ILE 90 N 1.93 2.07 -0.28 1.52 1.01 -1.26 -0.03 121.20 126.16 1ufr s ILE 90 Ca 0.05 -3.21 0.00 0.00 0.00 0.00 0.00 60.65 57.49 1ufr s ILE 90 Cb -0.17 -2.42 0.00 0.00 0.01 0.00 0.00 42.46 39.88 1ufr s ILE 90 CO -0.20 -0.91 0.26 -2.65 0.00 0.00 0.00 174.94 171.43 1ufr n PRO 91 N 3.00 0.30 -3.88 2.79 -0.02 -1.26 -4.76 135.00 131.16 1ufr n PRO 91 Ca 0.11 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.52 1ufr n PRO 91 Cb 0.35 -1.29 -0.02 0.00 -0.02 0.00 0.00 33.50 32.51 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 0.23 -0.06 -0.31 6.00 -0.12 -1.26 -5.13 117.98 117.33 1ufr s PHE 92 Ca 0.00 -0.41 -0.21 0.00 -0.05 0.00 0.00 56.93 56.26 1ufr s PHE 92 Cb 0.00 0.63 -0.00 0.00 -0.63 0.00 0.00 43.02 43.02 1ufr s PHE 92 CO 0.00 -1.23 0.69 0.34 -0.05 0.00 0.00 175.22 174.97 1ufr s ASP 93 N -2.95 6.54 0.46 1.98 -1.08 -1.26 -4.94 116.67 115.42 1ufr s ASP 93 Ca 0.13 0.46 0.23 0.00 -0.52 0.00 0.00 52.55 52.86 1ufr s ASP 93 Cb -0.05 -2.36 1.09 0.00 -1.46 0.00 0.00 42.92 40.14 1ufr s ASP 93 CO 0.08 -0.55 1.92 -0.07 0.52 0.00 0.00 175.17 177.07 1ufr h LEU 94 N 9.31 0.00 -9.55 -1.34 3.38 -1.95 -3.43 115.31 111.73 1ufr h LEU 94 Ca -0.26 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.13 1ufr h LEU 94 Cb 1.11 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.93 1ufr h LEU 94 CO 0.84 0.22 0.71 0.41 0.09 0.00 0.00 178.44 180.71 1ufr n THR 95 N -3.62 0.46 0.00 0.22 -1.04 -1.26 -2.14 114.28 106.91 1ufr n THR 95 Ca -0.01 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1ufr n THR 95 Cb 0.35 -1.50 0.00 0.00 -1.82 0.00 0.00 70.33 67.36 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 2.78 1.43 3.89 3.41 0.00 0.10 -4.84 105.19 111.96 1ufr n GLY 96 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 3.13 -0.49 1.61 1.02 -0.91 -3.55 119.74 120.56 1ufr s LYS 97 Ca 0.00 0.41 -0.16 0.00 0.02 0.00 0.00 55.97 56.24 1ufr s LYS 97 Cb 0.00 -2.13 0.07 0.00 -0.52 0.00 0.00 37.83 35.26 1ufr s LYS 97 CO 0.00 -0.76 0.46 0.00 -0.92 0.00 0.00 175.35 174.13 1ufr s ALA 98 N -3.17 3.52 -0.19 5.17 0.00 0.77 0.87 121.76 128.73 1ufr s ALA 98 Ca 0.55 -2.06 -0.09 0.00 0.00 0.00 0.00 51.96 50.36 1ufr s ALA 98 Cb -0.11 -3.16 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 1ufr s ALA 98 CO 0.50 -1.83 0.11 0.42 0.00 0.00 0.00 175.76 174.96 1ufr s ILE 99 N 1.89 5.21 -0.29 0.00 -1.09 -0.07 -1.47 121.20 125.39 1ufr s ILE 99 Ca 0.07 0.12 -0.03 0.00 -2.23 0.00 0.00 60.65 58.57 1ufr s ILE 99 Cb -0.23 -3.36 0.04 0.00 -1.58 0.00 0.00 42.46 37.32 1ufr s ILE 99 CO 0.08 0.46 0.00 -0.69 -1.23 0.00 0.00 174.94 173.56 1ufr s VAL 100 N 0.26 3.16 0.02 2.92 1.01 0.34 0.08 120.40 128.19 1ufr s VAL 100 Ca 0.07 -1.18 -0.30 0.00 0.00 0.00 0.00 61.98 60.57 1ufr s VAL 100 Cb -0.11 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 1ufr s VAL 100 CO -0.01 -0.01 1.08 -0.76 0.00 0.00 0.00 175.10 175.40 1ufr s LEU 101 N 1.32 4.36 -0.19 3.92 1.43 -0.06 -0.53 118.68 128.93 1ufr s LEU 101 Ca -0.02 1.81 -0.01 0.00 -1.03 0.00 0.00 54.13 54.87 1ufr s LEU 101 Cb -0.19 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.46 1ufr s LEU 101 CO -0.01 -0.36 -0.12 -0.69 0.23 0.00 0.00 176.35 175.40 1ufr s VAL 102 N 1.10 2.83 0.05 -1.59 1.01 0.87 -0.20 120.40 124.46 1ufr s VAL 102 Ca 0.55 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.89 1ufr s VAL 102 Cb -0.25 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 1ufr s VAL 102 CO 0.28 0.48 -0.15 -0.62 0.00 0.00 0.00 175.10 175.10 1ufr s ASP 103 N 1.18 1.75 0.01 3.32 2.15 0.10 -1.65 116.67 123.52 1ufr s ASP 103 Ca 0.02 -0.51 -0.20 0.00 0.43 0.00 0.00 52.55 52.28 1ufr s ASP 103 Cb -0.14 -0.10 -0.21 0.00 -0.30 0.00 0.00 42.92 42.17 1ufr s ASP 103 CO -0.04 0.01 1.14 -2.24 -0.17 0.00 0.00 175.17 173.86 1ufr h ASP 104 N 4.72 0.49 -3.40 -0.34 2.03 -1.84 -2.34 116.42 115.73 1ufr h ASP 104 Ca -0.39 -0.71 -0.38 0.00 -0.73 0.00 0.00 57.03 54.81 1ufr h ASP 104 Cb 1.18 -0.15 -0.36 0.00 -0.83 0.00 0.00 39.33 39.18 1ufr h ASP 104 CO 0.43 1.13 -0.75 -0.69 -1.03 0.00 0.00 179.24 178.32 1ufr s VAL 105 N -3.39 0.23 -0.30 4.15 1.01 -1.26 -0.97 120.40 119.88 1ufr s VAL 105 Ca -0.14 0.12 -0.15 0.00 0.00 0.00 0.00 61.98 61.81 1ufr s VAL 105 Cb 0.04 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 1ufr s VAL 105 CO 0.80 0.19 0.38 -0.22 0.00 0.00 0.00 175.10 176.25 1ufr s LEU 106 N 1.42 4.17 0.00 3.92 2.96 -0.08 -4.99 118.68 126.07 1ufr s LEU 106 Ca -0.04 0.11 0.00 0.00 -0.22 0.00 0.00 54.13 53.98 1ufr s LEU 106 Cb -0.13 -2.41 0.00 0.00 0.50 0.00 0.00 46.19 44.15 1ufr s LEU 106 CO -0.03 -0.25 0.00 0.00 -1.32 0.00 0.00 176.35 174.75 1ufr n TYR 107 N 5.38 0.00 0.37 5.38 9.36 -1.26 -1.87 117.16 134.52 1ufr n TYR 107 Ca -0.08 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.28 1ufr n TYR 107 Cb 0.50 0.00 0.50 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 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1ufr h THR 108 Cb 0.00 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 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 0.38 1.07 0.23 5.82 0.00 -1.26 -0.66 105.19 110.77 1ufr n GLY 109 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 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 3.57 0.48 -0.15 1.61 3.08 -1.96 0.34 114.38 121.36 1ufr h ARG 110 Ca 0.00 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.79 1ufr h ARG 110 Cb 0.00 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 1ufr h ARG 110 CO 0.00 0.75 -0.12 1.15 -1.07 0.00 0.00 179.97 180.68 1ufr h THR 111 N 0.41 1.34 -0.32 2.04 2.02 -1.98 -0.76 112.91 115.67 1ufr h THR 111 Ca 0.05 -1.25 0.02 0.00 0.77 0.00 0.00 66.41 66.00 1ufr h THR 111 Cb 0.77 1.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.99 1ufr h THR 111 CO 0.06 0.37 0.17 0.00 0.37 0.00 0.00 175.52 176.48 1ufr h ALA 112 N 0.63 0.39 -0.62 6.16 0.00 -1.93 -1.15 119.26 122.73 1ufr h ALA 112 Ca 0.03 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1ufr h ALA 112 Cb 0.63 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1ufr h ALA 112 CO 0.03 -0.21 0.39 -0.09 0.00 0.00 0.00 179.25 179.37 1ufr h ARG 113 N 0.34 0.75 -0.91 0.00 1.12 -0.85 0.11 114.38 114.93 1ufr h ARG 113 Ca 0.13 -0.04 0.01 0.00 -1.11 0.00 0.00 59.98 58.96 1ufr h ARG 113 Cb 0.03 -0.17 -0.05 0.00 -0.01 0.00 0.00 29.97 29.78 1ufr h ARG 113 CO -0.08 0.49 0.60 0.00 -3.11 0.00 0.00 179.97 177.87 1ufr h ALA 114 N 1.27 1.34 -0.38 2.80 0.00 -0.63 0.88 119.26 124.54 1ufr h ALA 114 Ca 0.25 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1ufr h ALA 114 Cb 0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1ufr h ALA 114 CO -0.10 0.61 -0.14 0.00 0.00 0.00 0.00 179.25 179.62 1ufr h ALA 115 N 1.42 0.53 -0.90 0.00 0.00 -0.35 -1.91 119.26 118.06 1ufr h ALA 115 Ca 0.33 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ufr h ALA 115 Cb -0.13 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 1ufr h ALA 115 CO -0.07 0.44 0.60 1.25 0.00 0.00 0.00 179.25 181.47 1ufr h LEU 116 N 0.58 1.03 0.11 0.00 5.85 -0.07 -0.76 115.31 122.04 1ufr h LEU 116 Ca 0.09 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1ufr h LEU 116 Cb 0.68 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1ufr h LEU 116 CO 0.05 0.74 -0.05 -0.78 -0.34 0.00 0.00 178.44 178.06 1ufr h ASP 117 N 1.21 -0.12 -0.31 1.25 3.58 -0.60 -2.40 116.42 119.04 1ufr h ASP 117 Ca 0.33 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.82 1ufr h ASP 117 Cb -0.13 0.03 -0.03 0.00 1.72 0.00 0.00 39.33 40.92 1ufr h ASP 117 CO -0.08 -0.09 0.11 0.00 -2.88 0.00 0.00 179.24 176.30 1ufr h ALA 118 N 0.76 0.35 0.13 -0.78 0.00 -0.86 -2.24 119.26 116.61 1ufr h ALA 118 Ca -0.01 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1ufr h ALA 118 Cb 0.11 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1ufr h ALA 118 CO 0.02 -0.29 -0.33 -0.07 0.00 0.00 0.00 179.25 178.58 1ufr h LEU 119 N 0.24 -0.96 -2.14 0.00 3.38 -1.02 -1.72 115.31 113.10 1ufr h LEU 119 Ca 0.14 0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.29 1ufr h LEU 119 Cb 0.11 0.36 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1ufr h LEU 119 CO -0.14 -0.42 0.26 0.40 0.09 0.00 0.00 178.44 178.63 1ufr h ILE 120 N -0.56 0.51 0.00 1.22 2.04 -1.19 0.40 117.51 119.92 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 0.59 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1ufr h ILE 120 CO -0.19 0.00 0.00 0.47 0.00 0.00 0.00 178.15 178.43 1ufr n ASP 121 N -3.89 0.00 -0.00 1.72 8.00 -0.67 -3.40 116.55 118.32 1ufr n ASP 121 Ca 0.04 0.30 0.06 0.00 0.71 0.00 0.00 54.79 55.90 1ufr n ASP 121 Cb 0.41 -0.43 -0.07 0.00 -0.02 0.00 0.00 41.12 41.00 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 -1.43 0.40 0.00 0.64 4.77 0.13 -5.09 117.00 116.42 1ufr n LEU 122 Ca 0.09 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 1ufr n LEU 122 Cb 0.28 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 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 1.43 -0.51 2.94 -0.72 0.00 -0.91 -4.72 105.19 102.70 1ufr n GLY 123 Ca 0.01 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.63 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 2.19 0.67 1.61 1.81 -1.26 -4.22 118.95 117.74 1ufr s ARG 124 Ca 0.00 -2.89 -0.17 0.00 -1.72 0.00 0.00 55.73 50.94 1ufr s ARG 124 Cb 0.00 -3.38 -0.00 0.00 -0.45 0.00 0.00 34.95 31.12 1ufr s ARG 124 CO 0.00 -1.18 1.28 -2.14 -0.68 0.00 0.00 175.30 172.58 1ufr s PRO 125 N -0.72 2.45 0.31 3.54 0.02 -1.22 -0.72 135.00 138.67 1ufr s PRO 125 Ca 0.20 2.02 0.02 0.00 0.02 0.00 0.00 61.00 63.26 1ufr s PRO 125 Cb -0.18 -1.84 0.51 0.00 0.02 0.00 0.00 34.50 33.02 1ufr s PRO 125 CO -0.06 -1.66 1.86 -0.09 -0.33 0.00 0.00 177.00 176.71 1ufr h ARG 126 N 0.38 0.67 -2.90 5.54 2.43 0.43 -3.42 114.38 117.50 1ufr h ARG 126 Ca -0.50 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 58.51 1ufr h ARG 126 Cb 1.33 -0.10 -0.13 0.00 -0.42 0.00 0.00 29.97 30.65 1ufr h ARG 126 CO 0.52 0.64 0.20 0.50 -1.51 0.00 0.00 179.97 180.33 1ufr s ARG 127 N -5.10 1.25 -0.11 0.20 3.52 -1.09 -5.00 118.95 112.61 1ufr s ARG 127 Ca -0.09 -0.40 -0.02 0.00 -0.13 0.00 0.00 55.73 55.09 1ufr s ARG 127 Cb 0.16 0.58 0.04 0.00 -1.56 0.00 0.00 34.95 34.16 1ufr s ARG 127 CO 0.78 -0.53 0.03 0.42 -0.81 0.00 0.00 175.30 175.18 1ufr s ILE 128 N -3.48 0.30 0.30 4.11 1.01 -1.26 -0.89 121.20 121.30 1ufr s ILE 128 Ca -0.00 -0.05 0.06 0.00 0.00 0.00 0.00 60.65 60.66 1ufr s ILE 128 Cb -0.01 -0.62 -0.02 0.00 0.01 0.00 0.00 42.46 41.82 1ufr s ILE 128 CO -0.11 0.07 0.39 -0.31 0.00 0.00 0.00 174.94 174.98 1ufr s TYR 129 N 1.99 3.16 -0.16 3.97 1.51 0.11 -4.98 117.35 122.94 1ufr s TYR 129 Ca 0.03 -0.18 0.00 0.00 -1.01 0.00 0.00 57.07 55.92 1ufr s TYR 129 Cb -0.14 -1.80 0.03 0.00 -0.11 0.00 0.00 41.96 39.94 1ufr s TYR 129 CO -0.06 0.18 -0.11 -1.17 -1.11 0.00 0.00 175.55 173.28 1ufr s LEU 130 N -4.06 1.82 -0.12 -1.29 2.96 -1.26 -0.88 118.68 115.84 1ufr s LEU 130 Ca 0.40 -0.62 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 1ufr s LEU 130 Cb -0.09 -1.12 -0.01 0.00 0.50 0.00 0.00 46.19 45.47 1ufr s LEU 130 CO 0.29 -0.11 -0.16 0.00 -1.32 0.00 0.00 176.35 175.05 1ufr s ALA 131 N 1.50 2.50 0.00 5.97 0.00 0.72 -0.31 121.76 132.14 1ufr s ALA 131 Ca 0.02 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.09 1ufr s ALA 131 Cb -0.14 -1.09 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 1ufr s ALA 131 CO -0.09 0.27 -0.05 0.14 0.00 0.00 0.00 175.76 176.03 1ufr s VAL 132 N 0.30 0.42 0.06 0.00 -7.23 0.09 -0.72 120.40 113.32 1ufr s VAL 132 Ca -0.12 -0.31 -0.25 0.00 -1.81 0.00 0.00 61.98 59.49 1ufr s VAL 132 Cb -0.16 -0.37 -0.17 0.00 0.56 0.00 0.00 36.38 36.24 1ufr s VAL 132 CO 0.06 0.06 1.60 0.25 -0.31 0.00 0.00 175.10 176.77 1ufr h LEU 133 N 5.86 -0.12 -7.95 1.32 5.85 -1.09 0.70 115.31 119.88 1ufr h LEU 133 Ca -0.29 -0.09 -0.33 0.00 0.84 0.00 0.00 57.88 58.01 1ufr h LEU 133 Cb 1.19 0.03 -0.28 0.00 0.37 0.00 0.00 40.66 41.98 1ufr h LEU 133 CO 0.49 0.02 -0.75 0.68 -0.34 0.00 0.00 178.44 178.53 1ufr s VAL 134 N -5.71 0.46 -0.30 1.05 -7.23 -0.14 -0.71 120.40 107.81 1ufr s VAL 134 Ca -0.14 -0.33 -0.01 0.00 -1.81 0.00 0.00 61.98 59.68 1ufr s VAL 134 Cb 0.05 -0.40 0.05 0.00 0.56 0.00 0.00 36.38 36.63 1ufr s VAL 134 CO 0.65 0.07 -0.01 -0.62 -0.31 0.00 0.00 175.10 174.88 1ufr s ASP 135 N -0.29 4.85 -0.14 4.85 2.15 -0.87 -0.91 116.67 126.31 1ufr s ASP 135 Ca 0.01 -1.29 0.12 0.00 0.43 0.00 0.00 52.55 51.81 1ufr s ASP 135 Cb -0.03 -1.70 0.58 0.00 -0.30 0.00 0.00 42.92 41.47 1ufr s ASP 135 CO -0.00 -0.26 1.41 -2.11 -0.17 0.00 0.00 175.17 174.05 1ufr n ARG 136 N 4.60 3.54 0.00 4.34 1.85 -0.78 -1.22 116.66 128.99 1ufr n ARG 136 Ca -0.13 -2.24 0.00 0.00 -1.00 0.00 0.00 57.85 54.48 1ufr n ARG 136 Cb 0.43 -1.94 0.00 0.00 -1.05 0.00 0.00 32.46 29.91 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 0.64 -0.75 2.10 2.89 0.00 -1.26 -4.09 105.19 104.74 1ufr n GLY 137 Ca 0.20 -1.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.13 -0.96 -1.91 1.61 -0.00 -1.26 -4.40 115.22 107.16 1ufr n HIS 138 Ca 0.00 0.37 -0.37 0.00 -0.00 0.00 0.00 57.72 57.72 1ufr n HIS 138 Cb 0.00 -2.86 0.04 0.00 -0.00 0.00 0.00 29.99 27.17 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 2.89 0.00 -0.41 1.81 -1.25 -3.80 118.95 113.21 1ufr s ARG 139 Ca 0.11 1.95 0.00 0.00 -1.72 0.00 0.00 55.73 56.07 1ufr s ARG 139 Cb -0.05 -1.96 0.00 0.00 -0.45 0.00 0.00 34.95 32.49 1ufr s ARG 139 CO 0.28 -1.30 0.42 0.39 -0.68 0.00 0.00 175.30 174.41 1ufr n GLU 140 N -1.57 0.04 -3.95 3.54 1.02 0.17 -4.96 120.64 114.92 1ufr n GLU 140 Ca 0.14 -0.50 -0.08 0.00 -0.02 0.00 0.00 57.16 56.70 1ufr n GLU 140 Cb 0.48 -0.79 -0.09 0.00 -0.02 0.00 0.00 31.44 31.03 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 -0.15 1.86 0.00 -4.62 1.43 -1.20 -5.04 118.68 110.95 1ufr s LEU 141 Ca 0.00 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 1ufr s LEU 141 Cb 0.00 0.65 0.00 0.00 0.03 0.00 0.00 46.19 46.87 1ufr s LEU 141 CO 0.00 -0.62 0.88 -2.65 0.23 0.00 0.00 176.35 174.19 1ufr n PRO 142 N 0.25 0.69 -3.50 1.29 -0.02 -1.26 -4.83 135.00 127.62 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 -1.16 -0.05 0.00 -0.02 0.00 0.00 33.50 32.88 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 0.40 5.01 0.04 4.25 -1.09 -1.26 -5.09 121.20 123.45 1ufr s ILE 143 Ca 0.00 0.34 -0.15 0.00 -2.23 0.00 0.00 60.65 58.61 1ufr s ILE 143 Cb 0.00 -3.62 0.02 0.00 -1.58 0.00 0.00 42.46 37.28 1ufr s ILE 143 CO 0.00 -0.02 0.33 -0.13 -1.23 0.00 0.00 174.94 173.89 1ufr s ARG 144 N -2.72 0.83 -0.01 2.79 1.81 -1.26 -5.00 118.95 115.39 1ufr s ARG 144 Ca 0.45 -0.45 -0.17 0.00 -1.72 0.00 0.00 55.73 53.83 1ufr s ARG 144 Cb -0.12 0.36 -0.06 0.00 -0.45 0.00 0.00 34.95 34.69 1ufr s ARG 144 CO 0.22 -0.27 0.48 0.00 -0.68 0.00 0.00 175.30 175.05 1ufr s ALA 145 N -2.47 3.59 0.10 2.13 0.00 -1.26 -4.75 121.76 119.10 1ufr s ALA 145 Ca -0.05 -0.12 -0.05 0.00 0.00 0.00 0.00 51.96 51.73 1ufr s ALA 145 Cb -0.01 -2.55 -0.19 0.00 0.00 0.00 0.00 23.12 20.37 1ufr s ALA 145 CO -0.03 0.31 1.22 -0.44 0.00 0.00 0.00 175.76 176.82 1ufr h ASP 146 N 5.27 0.52 -3.39 0.00 3.32 -1.05 -3.44 116.42 117.65 1ufr h ASP 146 Ca -0.48 -0.48 -0.54 0.00 0.02 0.00 0.00 57.03 55.55 1ufr h ASP 146 Cb 1.21 -0.16 -0.33 0.00 0.22 0.00 0.00 39.33 40.26 1ufr h ASP 146 CO 0.66 1.31 -0.83 -0.36 -1.72 0.00 0.00 179.24 178.31 1ufr s PHE 147 N -2.99 1.66 -0.06 4.55 0.08 -0.78 -5.02 117.98 115.42 1ufr s PHE 147 Ca -0.05 -0.64 0.02 0.00 0.12 0.00 0.00 56.93 56.37 1ufr s PHE 147 Cb 0.08 -1.19 0.02 0.00 -0.57 0.00 0.00 43.02 41.35 1ufr s PHE 147 CO 0.88 -0.31 -0.08 0.08 -0.10 0.00 0.00 175.22 175.68 1ufr s VAL 148 N 0.65 0.84 -0.01 -0.44 1.01 -1.26 -0.73 120.40 120.46 1ufr s VAL 148 Ca -0.15 -0.30 -0.25 0.00 0.00 0.00 0.00 61.98 61.28 1ufr s VAL 148 Cb -0.16 -0.81 -0.18 0.00 0.00 0.00 0.00 36.38 35.23 1ufr s VAL 148 CO 0.04 0.29 1.25 1.23 0.00 0.00 0.00 175.10 177.91 1ufr h GLY 149 N 7.09 -0.14 -5.20 4.51 0.00 0.27 -3.46 103.07 106.14 1ufr h GLY 149 Ca -0.34 0.05 -0.10 0.00 0.00 0.00 0.00 47.33 46.93 1ufr h GLY 149 CO 0.47 -0.05 -0.16 1.25 0.00 0.00 0.00 176.54 178.05 1ufr s LYS 150 N -4.41 0.55 -0.20 4.80 2.20 0.11 -4.93 119.74 117.86 1ufr s LYS 150 Ca -0.15 0.67 -0.17 0.00 -0.36 0.00 0.00 55.97 55.95 1ufr s LYS 150 Cb 0.02 0.26 -0.03 0.00 -1.51 0.00 0.00 37.83 36.57 1ufr s LYS 150 CO 0.62 -0.07 0.48 -0.80 -0.36 0.00 0.00 175.35 175.21 1ufr s ASN 151 N 0.29 6.51 -0.32 1.43 0.01 -1.26 -2.05 114.94 119.56 1ufr s ASN 151 Ca -0.00 0.61 0.04 0.00 -0.71 0.00 0.00 52.86 52.79 1ufr s ASN 151 Cb -0.03 -2.27 0.09 0.00 0.41 0.00 0.00 41.25 39.44 1ufr s ASN 151 CO 0.00 -0.15 0.01 -0.69 -1.51 0.00 0.00 177.10 174.76 1ufr s VAL 152 N 1.57 2.19 0.09 1.60 1.01 -0.36 -4.96 120.40 121.53 1ufr s VAL 152 Ca 0.22 -2.12 -0.31 0.00 0.00 0.00 0.00 61.98 59.78 1ufr s VAL 152 Cb -0.15 -2.53 -0.09 0.00 0.00 0.00 0.00 36.38 33.61 1ufr s VAL 152 CO 0.09 -0.45 1.66 -2.84 0.00 0.00 0.00 175.10 173.56 1ufr s PRO 153 N 0.99 4.19 0.36 2.72 0.02 -1.26 -4.19 135.00 137.83 1ufr s PRO 153 Ca 0.06 2.37 0.04 0.00 0.02 0.00 0.00 61.00 63.48 1ufr s PRO 153 Cb -0.19 -3.53 -0.05 0.00 0.02 0.00 0.00 34.50 30.75 1ufr s PRO 153 CO -0.08 -0.73 0.08 0.95 -0.33 0.00 0.00 177.00 176.90 1ufr s THR 154 N 2.42 0.96 0.20 0.99 -4.23 -1.26 -5.08 115.64 109.64 1ufr s THR 154 Ca 0.74 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.32 1ufr s THR 154 Cb -0.41 -2.60 -0.04 0.00 1.34 0.00 0.00 72.50 70.79 1ufr s THR 154 CO 0.33 0.00 0.08 -0.94 -0.54 0.00 0.00 174.62 173.54 1ufr s SER 155 N -3.54 5.10 0.34 3.99 1.04 -1.26 -5.00 113.70 114.36 1ufr s SER 155 Ca 0.31 -0.33 0.12 0.00 0.48 0.00 0.00 55.95 56.52 1ufr s SER 155 Cb 0.06 -1.19 0.93 0.00 0.10 0.00 0.00 66.02 65.92 1ufr s SER 155 CO 0.14 0.04 1.75 0.03 0.98 0.00 0.00 173.24 176.19 1ufr h ARG 156 N 2.25 0.54 0.00 4.02 3.08 -2.01 -1.45 114.38 120.82 1ufr h ARG 156 Ca -0.47 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.51 1ufr h ARG 156 Cb 1.22 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.14 1ufr h ARG 156 CO 0.60 0.36 -0.16 0.66 -1.07 0.00 0.00 179.97 180.36 1ufr h SER 157 N 0.56 0.00 -4.18 7.04 4.64 -1.95 -3.46 113.55 116.20 1ufr h SER 157 Ca 0.61 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 61.44 1ufr h SER 157 Cb 1.24 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 63.47 1ufr h SER 157 CO -0.40 0.16 0.28 -1.61 -0.87 0.00 0.00 176.83 174.40 1ufr s GLU 158 N -3.20 1.69 -0.00 4.77 2.02 -0.55 -3.44 118.70 120.00 1ufr s GLU 158 Ca 0.05 0.93 -0.00 0.00 0.02 0.00 0.00 54.97 55.97 1ufr s GLU 158 Cb 0.06 -1.85 -0.00 0.00 0.10 0.00 0.00 34.13 32.44 1ufr s GLU 158 CO 0.68 -1.97 0.01 0.08 0.02 0.00 0.00 175.26 174.08 1ufr s VAL 159 N -2.94 0.01 -0.18 2.63 1.01 0.12 -4.86 120.40 116.19 1ufr s VAL 159 Ca 0.62 -0.08 -0.05 0.00 0.00 0.00 0.00 61.98 62.47 1ufr s VAL 159 Cb -0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 36.38 36.13 1ufr s VAL 159 CO 0.56 -0.04 0.00 -0.69 0.00 0.00 0.00 175.10 174.93 1ufr s VAL 160 N -0.12 4.13 -0.19 2.92 1.01 -1.26 -0.37 120.40 126.52 1ufr s VAL 160 Ca -0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 1ufr s VAL 160 Cb -0.01 -2.85 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 1ufr s VAL 160 CO -0.00 0.45 -0.07 -0.54 0.00 0.00 0.00 175.10 174.94 1ufr s LYS 161 N 0.67 3.38 -0.21 2.72 1.02 -0.14 -4.99 119.74 122.19 1ufr s LYS 161 Ca -0.00 -0.64 -0.07 0.00 0.02 0.00 0.00 55.97 55.28 1ufr s LYS 161 Cb -0.14 -2.89 -0.03 0.00 -0.52 0.00 0.00 37.83 34.25 1ufr s LYS 161 CO 0.02 -0.07 0.05 0.08 -0.92 0.00 0.00 175.35 174.51 1ufr s VAL 162 N 1.12 4.38 -0.08 3.17 1.01 -1.26 -0.54 120.40 128.20 1ufr s VAL 162 Ca 0.01 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.85 1ufr s VAL 162 Cb -0.15 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 1ufr s VAL 162 CO -0.01 0.41 -0.13 -0.54 0.00 0.00 0.00 175.10 174.82 1ufr s LYS 163 N 0.96 2.80 0.01 2.72 1.02 0.22 -4.99 119.74 122.47 1ufr s LYS 163 Ca 0.03 -0.68 0.01 0.00 0.02 0.00 0.00 55.97 55.35 1ufr s LYS 163 Cb -0.14 -2.48 -0.01 0.00 -0.52 0.00 0.00 37.83 34.68 1ufr s LYS 163 CO 0.02 0.50 -0.04 0.14 -0.92 0.00 0.00 175.35 175.06 1ufr s VAL 164 N -0.41 0.28 0.11 3.17 -7.23 -0.53 -0.81 120.40 114.99 1ufr s VAL 164 Ca 0.05 -0.35 -0.22 0.00 -1.81 0.00 0.00 61.98 59.64 1ufr s VAL 164 Cb -0.12 -0.28 -0.05 0.00 0.56 0.00 0.00 36.38 36.49 1ufr s VAL 164 CO 0.02 -0.05 1.33 -0.62 -0.31 0.00 0.00 175.10 175.47 1ufr n GLU 165 N 2.63 -0.31 -0.09 4.82 -0.58 -1.18 0.11 120.64 126.05 1ufr n GLU 165 Ca -0.15 1.31 0.26 0.00 -0.42 0.00 0.00 57.16 58.16 1ufr n GLU 165 Cb 0.58 -1.93 0.68 0.00 -0.57 0.00 0.00 31.44 30.20 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 0.89 114.58 120.09 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 0.29 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 1ufr h GLU 166 CO -0.67 0.00 -1.19 0.28 -1.40 0.00 0.00 179.01 176.03 1ufr n VAL 167 N -3.75 0.19 0.46 3.13 0.31 -0.21 -4.81 118.33 113.65 1ufr n VAL 167 Ca 0.16 -0.09 0.05 0.00 -0.01 0.00 0.00 64.34 64.45 1ufr n VAL 167 Cb 0.99 -0.72 0.02 0.00 -0.91 0.00 0.00 33.84 33.21 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 -2.43 1.50 0.00 4.52 8.00 0.30 -4.97 116.55 123.47 1ufr n ASP 168 Ca -0.05 -1.25 0.00 0.00 0.71 0.00 0.00 54.79 54.20 1ufr n ASP 168 Cb 0.57 0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.95 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 0.79 0.80 3.51 0.44 0.00 0.30 -4.91 105.19 106.12 1ufr n GLY 169 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.10 0.76 -0.45 1.61 2.12 -1.26 -4.76 118.70 116.62 1ufr s GLU 170 Ca 0.00 0.75 -0.20 0.00 0.36 0.00 0.00 54.97 55.88 1ufr s GLU 170 Cb 0.00 0.37 0.03 0.00 0.26 0.00 0.00 34.13 34.79 1ufr s GLU 170 CO 0.00 -0.12 0.60 -0.51 -0.54 0.00 0.00 175.26 174.69 1ufr s ASP 171 N 0.08 6.27 -0.12 -1.70 1.01 -1.26 -1.46 116.67 119.50 1ufr s ASP 171 Ca -0.02 -0.55 -0.30 0.00 0.71 0.00 0.00 52.55 52.40 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 0.02 -0.77 0.82 -0.60 0.21 0.00 0.00 175.17 174.84 1ufr s ARG 172 N 2.66 0.84 -0.20 8.23 3.52 0.01 -2.81 118.95 131.20 1ufr s ARG 172 Ca 0.19 0.31 0.01 0.00 -0.13 0.00 0.00 55.73 56.11 1ufr s ARG 172 Cb -0.16 0.40 0.03 0.00 -1.56 0.00 0.00 34.95 33.66 1ufr s ARG 172 CO 0.16 -0.24 -0.17 0.08 -0.81 0.00 0.00 175.30 174.31 1ufr s VAL 173 N -0.93 2.13 0.04 7.11 1.01 -1.26 0.71 120.40 129.22 1ufr s VAL 173 Ca -0.06 -1.07 0.05 0.00 0.00 0.00 0.00 61.98 60.89 1ufr s VAL 173 Cb -0.01 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1ufr s VAL 173 CO 0.05 0.41 -0.08 -1.61 0.00 0.00 0.00 175.10 173.87 1ufr s GLU 174 N 1.26 2.39 -0.18 2.72 2.02 0.30 0.24 118.70 127.45 1ufr s GLU 174 Ca 0.02 -0.84 -0.05 0.00 0.02 0.00 0.00 54.97 54.12 1ufr s GLU 174 Cb -0.15 -2.42 -0.03 0.00 0.10 0.00 0.00 34.13 31.64 1ufr s GLU 174 CO -0.11 0.57 -0.00 -1.17 0.02 0.00 0.00 175.26 174.57 1ufr s LEU 175 N -1.69 3.38 0.36 1.80 2.96 0.61 -0.96 118.68 125.13 1ufr s LEU 175 Ca 0.19 -0.11 0.06 0.00 -0.22 0.00 0.00 54.13 54.05 1ufr s LEU 175 Cb -0.11 -1.84 -0.07 0.00 0.50 0.00 0.00 46.19 44.67 1ufr s LEU 175 CO 0.10 0.13 0.02 0.26 -1.32 0.00 0.00 176.35 175.54 1ufr s TRP 176 N 0.59 2.23 0.03 5.38 0.52 0.51 -0.68 118.94 127.51 1ufr s TRP 176 Ca -0.01 -0.79 -0.21 0.00 0.02 0.00 0.00 56.10 55.11 1ufr s TRP 176 Cb -0.14 -1.49 0.05 0.00 -1.15 0.00 0.00 33.47 30.74 1ufr s TRP 176 CO 0.02 0.25 0.48 -2.00 0.02 0.00 0.00 176.95 175.73 1ufr s GLU 177 N -3.78 0.97 0.00 4.98 2.12 0.51 -0.70 118.70 122.79 1ufr s GLU 177 Ca 0.35 -0.21 0.04 0.00 0.36 0.00 0.00 54.97 55.51 1ufr s GLU 177 Cb 0.09 0.44 0.03 0.00 0.26 0.00 0.00 34.13 34.95 1ufr s GLU 177 CO 0.16 -0.33 0.64 -2.13 -0.54 0.00 0.00 175.26 173.06