#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uhs n SER 2 N 0.00 3.55 -2.63 1.61 2.88 -1.26 -4.85 113.62 112.93 1uhs n SER 2 Ca 0.00 -3.22 -0.09 0.00 -1.33 0.00 0.00 58.87 54.23 1uhs n SER 2 Cb 0.00 -0.85 0.04 0.00 -0.75 0.00 0.00 64.21 62.64 1uhs n SER 2 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1uhs n GLU 3 N 1.92 2.03 -0.15 -1.46 1.02 -1.26 -4.97 120.64 117.78 1uhs n GLU 3 Ca 0.22 -3.64 0.00 0.00 -0.02 0.00 0.00 57.16 53.72 1uhs n GLU 3 Cb 0.36 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 1uhs n GLU 3 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uhs n GLY 4 N -0.46 0.76 3.57 0.62 0.00 -1.26 -4.95 105.19 103.47 1uhs n GLY 4 Ca 0.16 -0.71 -0.16 0.00 0.00 0.00 0.00 46.02 45.32 1uhs n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uhs s ALA 5 N -2.10 0.72 0.35 4.61 0.00 -1.26 -4.81 121.76 119.27 1uhs s ALA 5 Ca 0.00 -1.29 0.03 0.00 0.00 0.00 0.00 51.96 50.70 1uhs s ALA 5 Cb 0.00 -4.65 -0.01 0.00 0.00 0.00 0.00 23.12 18.46 1uhs s ALA 5 CO 0.00 -6.31 0.39 0.00 0.00 0.00 0.00 175.76 169.84 1uhs s ALA 6 N 15.34 1.35 -0.20 0.00 0.00 -1.26 -5.06 121.76 131.93 1uhs s ALA 6 Ca 0.84 -1.82 -0.12 0.00 0.00 0.00 0.00 51.96 50.86 1uhs s ALA 6 Cb -0.08 1.31 0.05 0.00 0.00 0.00 0.00 23.12 24.40 1uhs s ALA 6 CO 0.13 -0.73 0.24 2.41 0.00 0.00 0.00 175.76 177.80 1uhs n THR 7 N -0.62-12.95 -0.99 0.00 -1.04 -1.26 -5.00 114.28 92.43 1uhs n THR 7 Ca 0.04 2.75 -0.31 0.00 -2.04 0.00 0.00 64.05 64.49 1uhs n THR 7 Cb 0.62 -6.62 0.26 0.00 -1.82 0.00 0.00 70.33 62.77 1uhs n THR 7 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1uhs s MET 8 N -0.75 -1.80 0.23 -2.82 1.00 -1.26 -5.09 119.30 108.81 1uhs s MET 8 Ca -0.27 -0.19 -0.05 0.00 0.00 0.00 0.00 55.69 55.18 1uhs s MET 8 Cb 0.02 -1.54 -0.03 0.00 0.00 0.00 0.00 34.83 33.28 1uhs s MET 8 CO 0.80 -4.07 0.28 -0.08 0.00 0.00 0.00 175.02 171.95 1uhs s THR 9 N -2.94 0.00 0.14 2.05 -1.32 -1.26 -5.02 115.64 107.28 1uhs s THR 9 Ca 0.72 -1.77 0.33 0.00 -1.21 0.00 0.00 61.69 59.76 1uhs s THR 9 Cb -0.08 -2.40 0.34 0.00 -1.51 0.00 0.00 72.50 68.85 1uhs s THR 9 CO 0.56 0.00 2.00 -0.33 -2.21 0.00 0.00 174.62 174.64 1uhs h GLU 10 N 2.45 0.00 0.01 7.08 5.08 -1.99 -1.49 114.58 125.72 1uhs h GLU 10 Ca -0.32 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 57.83 1uhs h GLU 10 Cb 1.25 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 1uhs h GLU 10 CO 0.45 0.00 -1.04 0.22 -1.00 0.00 0.00 179.01 177.64 1uhs h ASP 11 N 0.00 0.03 0.00 1.42 3.58 -1.97 -2.81 116.42 116.66 1uhs h ASP 11 Ca 0.00 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 1uhs h ASP 11 Cb 0.17 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.21 1uhs h ASP 11 CO 0.00 1.02 -0.06 1.56 -2.88 0.00 0.00 179.24 178.89 1uhs h GLN 12 N 0.01 0.00 -0.76 0.28 4.20 -1.60 -3.16 115.11 114.07 1uhs h GLN 12 Ca -0.03 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.71 1uhs h GLN 12 Cb 1.79 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.53 1uhs h GLN 12 CO 0.13 0.81 0.50 0.28 -0.67 0.00 0.00 178.83 179.88 1uhs h VAL 13 N -1.00 1.13 -0.12 -0.54 2.07 -1.56 0.36 116.25 116.60 1uhs h VAL 13 Ca -0.01 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1uhs h VAL 13 Cb 0.83 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1uhs h VAL 13 CO -0.01 0.17 0.07 -0.33 0.02 0.00 0.00 177.57 177.49 1uhs h GLU 14 N 0.94 0.16 -0.17 1.57 5.08 -1.62 -0.54 114.58 119.99 1uhs h GLU 14 Ca 0.30 -0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 58.42 1uhs h GLU 14 Cb 0.02 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.25 1uhs h GLU 14 CO -0.08 0.17 -0.75 0.82 -1.00 0.00 0.00 179.01 178.17 1uhs h ILE 15 N 0.11 1.27 -0.11 3.13 2.04 -1.42 -0.93 117.51 121.60 1uhs h ILE 15 Ca 0.04 -1.94 -0.01 0.00 1.00 0.00 0.00 64.86 63.95 1uhs h ILE 15 Cb 0.05 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 1uhs h ILE 15 CO -0.01 0.62 0.02 -0.07 0.00 0.00 0.00 178.15 178.71 1uhs h LEU 16 N 0.56 0.13 0.08 1.44 3.38 -0.20 -1.40 115.31 119.31 1uhs h LEU 16 Ca -0.04 -0.01 -0.31 0.00 0.09 0.00 0.00 57.88 57.61 1uhs h LEU 16 Cb 1.38 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 1uhs h LEU 16 CO 0.16 0.15 -1.65 -0.33 0.09 0.00 0.00 178.44 176.86 1uhs h GLU 17 N 0.15 0.17 -0.31 1.13 5.08 -1.04 -3.29 114.58 116.47 1uhs h GLU 17 Ca 0.04 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 58.06 1uhs h GLU 17 Cb 0.08 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1uhs h GLU 17 CO -0.00 0.96 -0.00 -0.92 -1.00 0.00 0.00 179.01 178.04 1uhs h TYR 18 N 0.05 0.49 -0.50 4.33 5.03 -0.70 -1.84 116.97 123.83 1uhs h TYR 18 Ca -0.28 -0.04 -0.05 0.00 2.58 0.00 0.00 58.73 60.94 1uhs h TYR 18 Cb 2.01 -0.14 -0.03 0.00 1.55 0.00 0.00 36.73 40.11 1uhs h TYR 18 CO 0.05 0.49 0.06 0.09 -1.32 0.00 0.00 178.16 177.52 1uhs n ASN 19 N -4.29 4.67 -0.00 -2.11 3.02 -0.57 -2.88 115.26 113.10 1uhs n ASN 19 Ca 0.01 -2.81 0.01 0.00 -0.03 0.00 0.00 54.58 51.76 1uhs n ASN 19 Cb 0.23 -0.66 -0.01 0.00 -0.61 0.00 0.00 39.78 38.73 1uhs n ASN 19 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1uhs n PHE 20 N 0.35 0.00 -0.00 3.10 7.35 -0.70 -3.77 117.46 123.79 1uhs n PHE 20 Ca 0.25 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.94 1uhs n PHE 20 Cb 1.06 -0.03 -0.00 0.00 0.35 0.00 0.00 39.48 40.86 1uhs n PHE 20 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1uhs n ASN 21 N -1.56 3.82 0.14 -2.13 3.02 -1.13 -4.12 115.26 113.29 1uhs n ASN 21 Ca -0.00 -0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.30 1uhs n ASN 21 Cb 0.05 -0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.06 1uhs n ASN 21 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1uhs h LYS 22 N -0.00 0.52 0.00 3.52 6.56 -1.77 -3.41 116.57 121.99 1uhs h LYS 22 Ca -0.01 -0.89 0.00 0.00 -1.06 0.00 0.00 60.65 58.69 1uhs h LYS 22 Cb 1.01 0.33 0.00 0.00 -0.57 0.00 0.00 32.23 33.00 1uhs h LYS 22 CO -0.00 1.43 0.00 0.28 -2.06 0.00 0.00 179.45 179.10 1uhs n VAL 23 N -3.70 0.00 -3.90 0.50 0.31 -1.23 -5.06 118.33 105.25 1uhs n VAL 23 Ca -0.18 0.43 -0.00 0.00 -0.01 0.00 0.00 64.34 64.57 1uhs n VAL 23 Cb 1.10 -1.32 0.01 0.00 -0.91 0.00 0.00 33.84 32.72 1uhs n VAL 23 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1uhs n ASN 24 N -1.94 -1.24 -0.04 4.52 0.23 -1.25 -5.01 115.26 110.54 1uhs n ASN 24 Ca 0.00 -1.49 -0.05 0.00 -0.53 0.00 0.00 54.58 52.51 1uhs n ASN 24 Cb 0.00 1.97 -0.04 0.00 -2.08 0.00 0.00 39.78 39.63 1uhs n ASN 24 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1uhs n LYS 25 N -0.69 0.61 -2.95 -3.83 4.01 -1.26 -3.69 118.16 110.36 1uhs n LYS 25 Ca 0.01 0.04 -0.31 0.00 -0.51 0.00 0.00 58.31 57.54 1uhs n LYS 25 Cb 0.49 -1.16 -0.03 0.00 -0.51 0.00 0.00 35.03 33.82 1uhs n LYS 25 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1uhs n HIS 26 N -2.66 3.67 -0.81 2.13 8.25 -1.26 -4.89 115.22 119.65 1uhs n HIS 26 Ca -0.14 -3.67 -0.30 0.00 -0.26 0.00 0.00 57.72 53.35 1uhs n HIS 26 Cb 0.66 -0.68 0.26 0.00 1.12 0.00 0.00 29.99 31.35 1uhs n HIS 26 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1uhs s PRO 27 N -3.47 -1.80 0.32 -0.41 0.04 -1.26 -5.07 135.00 123.34 1uhs s PRO 27 Ca 0.45 0.06 0.08 0.00 0.04 0.00 0.00 61.00 61.63 1uhs s PRO 27 Cb 0.23 -1.52 -0.03 0.00 0.04 0.00 0.00 34.50 33.22 1uhs s PRO 27 CO -0.11 -4.12 0.21 0.16 0.04 0.00 0.00 177.00 173.19 1uhs s ASP 28 N -3.55 5.11 0.58 6.66 1.47 -1.26 -4.97 116.67 120.71 1uhs s ASP 28 Ca 0.70 -0.54 0.30 0.00 1.18 0.00 0.00 52.55 54.19 1uhs s ASP 28 Cb -0.12 -0.98 1.37 0.00 -0.34 0.00 0.00 42.92 42.86 1uhs s ASP 28 CO 0.57 -0.25 1.74 -0.65 0.68 0.00 0.00 175.17 177.26 1uhs h PRO 29 N 1.43 0.00 -0.02 2.11 0.11 -1.98 0.31 132.00 133.96 1uhs h PRO 29 Ca -0.45 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 1uhs h PRO 29 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1uhs h PRO 29 CO 0.60 0.00 0.00 1.15 -0.21 0.00 0.00 178.00 179.55 1uhs h THR 30 N 0.00 1.21 -0.34 -1.15 2.02 -1.99 -0.58 112.91 112.07 1uhs h THR 30 Ca 0.36 -0.61 -0.11 0.00 0.77 0.00 0.00 66.41 66.82 1uhs h THR 30 Cb 1.82 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 69.80 1uhs h THR 30 CO -0.00 0.16 -0.20 0.74 0.37 0.00 0.00 175.52 176.59 1uhs h THR 31 N -0.21 1.29 -0.09 3.16 2.02 -1.35 -2.94 112.91 114.79 1uhs h THR 31 Ca 0.01 -1.33 -0.02 0.00 0.77 0.00 0.00 66.41 65.83 1uhs h THR 31 Cb 0.26 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1uhs h THR 31 CO 0.00 0.44 -0.05 0.25 0.37 0.00 0.00 175.52 176.53 1uhs h LEU 32 N 0.52 0.12 -1.24 2.58 5.85 -1.35 -1.60 115.31 120.20 1uhs h LEU 32 Ca 0.07 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 1uhs h LEU 32 Cb 0.75 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1uhs h LEU 32 CO 0.06 0.19 -0.27 0.00 -0.34 0.00 0.00 178.44 178.08 1uhs h LEU 34 N 0.16 0.47 -0.92 0.00 3.38 -1.27 -3.28 115.31 113.86 1uhs h LEU 34 Ca 0.02 -0.51 -0.11 0.00 0.09 0.00 0.00 57.88 57.37 1uhs h LEU 34 Cb 0.57 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1uhs h LEU 34 CO 0.04 1.40 -0.49 0.40 0.09 0.00 0.00 178.44 179.88 1uhs h ILE 35 N 0.08 1.35 -0.22 1.22 2.04 -1.16 -1.50 117.51 119.32 1uhs h ILE 35 Ca -0.15 -1.70 -0.06 0.00 1.00 0.00 0.00 64.86 63.95 1uhs h ILE 35 Cb 2.00 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 39.93 1uhs h ILE 35 CO 0.21 0.50 -0.11 0.00 0.00 0.00 0.00 178.15 178.75 1uhs h ALA 36 N 1.41 1.40 0.06 1.87 0.00 -1.33 -2.19 119.26 120.48 1uhs h ALA 36 Ca 0.00 -0.23 -0.29 0.00 0.00 0.00 0.00 54.91 54.39 1uhs h ALA 36 Cb 0.90 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1uhs h ALA 36 CO 0.07 0.41 -1.56 0.00 0.00 0.00 0.00 179.25 178.17 1uhs h ALA 37 N 1.55 0.47 0.18 0.00 0.00 -1.58 0.29 119.26 120.17 1uhs h ALA 37 Ca 0.07 -1.23 -0.01 0.00 0.00 0.00 0.00 54.91 53.74 1uhs h ALA 37 Cb 0.41 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1uhs h ALA 37 CO 0.02 1.33 -0.09 1.49 0.00 0.00 0.00 179.25 182.00 1uhs h GLU 38 N 0.04 -0.23 -0.69 0.00 4.81 -1.08 -3.30 114.58 114.13 1uhs h GLU 38 Ca -0.24 0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 58.93 1uhs h GLU 38 Cb 1.98 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 31.39 1uhs h GLU 38 CO 0.12 -0.16 0.13 0.00 -0.73 0.00 0.00 179.01 178.38 1uhs h ALA 39 N -1.86 0.91 0.00 2.92 0.00 -1.61 -3.47 119.26 116.16 1uhs h ALA 39 Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1uhs h ALA 39 Cb 0.19 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1uhs h ALA 39 CO 0.04 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.37 1uhs n GLY 40 N -0.61 1.92 0.63 0.00 0.00 -1.02 -4.80 105.19 101.32 1uhs n GLY 40 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 1uhs n GLY 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uhs n LEU 41 N 0.00 0.00 -4.71 0.99 4.77 0.97 -4.98 117.00 114.04 1uhs n LEU 41 Ca 0.00 -0.53 -0.23 0.00 -0.03 0.00 0.00 56.01 55.23 1uhs n LEU 41 Cb 0.00 0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 1uhs n LEU 41 CO 0.00 -0.16 -0.24 0.42 -1.33 0.00 0.00 177.39 176.08 1uhs s THR 42 N -1.01 3.32 0.53 -5.08 -4.23 -1.26 -4.19 115.64 103.71 1uhs s THR 42 Ca 0.02 -1.74 0.21 0.00 -1.18 0.00 0.00 61.69 58.99 1uhs s THR 42 Cb -0.00 -2.97 0.33 0.00 1.34 0.00 0.00 72.50 71.19 1uhs s THR 42 CO 0.01 -0.27 2.09 -0.33 -0.54 0.00 0.00 174.62 175.59 1uhs h GLU 43 N 1.66 0.00 0.26 3.99 5.08 -1.93 -1.44 114.58 122.20 1uhs h GLU 43 Ca -0.44 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.90 1uhs h GLU 43 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1uhs h GLU 43 CO 0.62 0.00 -0.12 1.49 -1.00 0.00 0.00 179.01 180.00 1uhs h GLU 44 N 0.00 -0.33 -0.28 2.33 4.81 -1.97 -1.71 114.58 117.43 1uhs h GLU 44 Ca 0.10 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.38 1uhs h GLU 44 Cb 0.42 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 1uhs h GLU 44 CO -0.00 0.02 0.11 1.96 -0.73 0.00 0.00 179.01 180.37 1uhs h GLN 45 N -0.79 0.23 -0.08 1.92 4.20 -1.86 -1.58 115.11 117.15 1uhs h GLN 45 Ca -0.04 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1uhs h GLN 45 Cb 0.51 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1uhs h GLN 45 CO 0.06 0.15 -0.01 1.15 -0.67 0.00 0.00 178.83 179.51 1uhs h THR 46 N 0.24 1.07 -0.11 -0.54 2.02 -1.34 -1.90 112.91 112.35 1uhs h THR 46 Ca 0.12 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 1uhs h THR 46 Cb 0.08 1.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1uhs h THR 46 CO -0.12 0.08 -0.01 1.56 0.37 0.00 0.00 175.52 177.41 1uhs h GLN 47 N 0.12 0.19 -0.73 6.66 4.20 -0.34 -2.10 115.11 123.11 1uhs h GLN 47 Ca 0.03 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 1uhs h GLN 47 Cb 0.11 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 1uhs h GLN 47 CO 0.00 0.46 0.28 0.87 -0.67 0.00 0.00 178.83 179.78 1uhs h LYS 48 N -0.09 1.09 0.47 1.46 1.79 -1.02 -0.76 116.57 119.50 1uhs h LYS 48 Ca 0.03 -0.20 -0.02 0.00 -2.18 0.00 0.00 60.65 58.28 1uhs h LYS 48 Cb 0.38 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 1uhs h LYS 48 CO 0.01 0.90 -0.25 2.35 -1.08 0.00 0.00 179.45 181.37 1uhs h TRP 49 N 1.04 -0.65 0.21 -1.35 7.01 -1.31 0.27 115.95 121.17 1uhs h TRP 49 Ca 0.24 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.22 1uhs h TRP 49 Cb 0.22 0.22 -0.00 0.00 -2.10 0.00 0.00 29.16 27.50 1uhs h TRP 49 CO 0.02 -0.40 -0.11 0.74 -2.79 0.00 0.00 178.44 175.90 1uhs h PHE 50 N -0.67 -0.29 -0.85 2.65 -1.00 -1.32 0.73 116.94 116.19 1uhs h PHE 50 Ca -0.06 -0.01 0.06 0.00 2.81 0.00 0.00 57.97 60.78 1uhs h PHE 50 Cb 0.53 0.10 -0.06 0.00 3.61 0.00 0.00 35.95 40.13 1uhs h PHE 50 CO -0.06 -0.18 0.53 -0.22 -1.61 0.00 0.00 178.31 176.77 1uhs h LYS 51 N -0.30 0.94 -0.13 1.51 3.64 -1.09 -0.59 116.57 120.54 1uhs h LYS 51 Ca -0.03 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.14 1uhs h LYS 51 Cb 0.24 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1uhs h LYS 51 CO 0.04 0.62 -0.54 1.96 -2.27 0.00 0.00 179.45 179.26 1uhs h GLN 52 N 0.96 0.60 -0.12 1.90 4.20 -0.17 -3.15 115.11 119.33 1uhs h GLN 52 Ca 0.37 -0.47 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1uhs h GLN 52 Cb 0.17 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1uhs h GLN 52 CO -0.17 1.09 0.08 -0.09 -0.67 0.00 0.00 178.83 179.07 1uhs h ARG 53 N 0.25 0.15 -0.50 1.46 9.65 0.92 -1.65 114.38 124.66 1uhs h ARG 53 Ca -0.03 -0.01 -0.05 0.00 -1.10 0.00 0.00 59.98 58.79 1uhs h ARG 53 Cb 1.18 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.70 1uhs h ARG 53 CO 0.11 0.10 0.11 -0.07 2.80 0.00 0.00 179.97 183.02 1uhs h LEU 54 N 0.15 0.71 -1.88 3.80 3.38 -1.07 0.17 115.31 120.57 1uhs h LEU 54 Ca 0.04 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1uhs h LEU 54 Cb -0.00 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1uhs h LEU 54 CO -0.01 0.70 -0.09 0.00 0.09 0.00 0.00 178.44 179.13 1uhs h ALA 55 N 1.39 1.75 0.02 1.53 0.00 -1.34 -1.53 119.26 121.08 1uhs h ALA 55 Ca 0.16 -0.09 -0.33 0.00 0.00 0.00 0.00 54.91 54.66 1uhs h ALA 55 Cb 0.28 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1uhs h ALA 55 CO -0.00 0.12 -2.00 0.39 0.00 0.00 0.00 179.25 177.76 1uhs n GLU 56 N -4.29 0.67 0.09 0.00 -0.58 -0.83 -3.91 120.64 111.78 1uhs n GLU 56 Ca -0.03 0.19 -0.13 0.00 -0.42 0.00 0.00 57.16 56.78 1uhs n GLU 56 Cb 0.17 -1.68 -0.08 0.00 -0.57 0.00 0.00 31.44 29.28 1uhs n GLU 56 CO 0.00 0.00 0.00 2.35 -0.48 0.00 0.00 177.13 179.00 1uhs h TRP 57 N 0.01 -0.18 -0.27 -0.32 7.01 -0.35 -0.54 115.95 121.32 1uhs h TRP 57 Ca -0.40 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 60.63 1uhs h TRP 57 Cb 2.08 0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 29.18 1uhs h TRP 57 CO 0.01 0.04 0.18 0.00 -2.79 0.00 0.00 178.44 175.88 1uhs h ARG 58 N -0.39 0.21 -0.07 2.65 3.08 -1.49 0.23 114.38 118.59 1uhs h ARG 58 Ca -0.02 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 59.91 1uhs h ARG 58 Cb 0.31 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1uhs h ARG 58 CO 0.03 0.14 -0.36 0.00 -1.07 0.00 0.00 179.97 178.71 1uhs h ARG 59 N 0.21 0.37 -0.11 0.04 3.08 -1.61 -2.11 114.38 114.25 1uhs h ARG 59 Ca 0.11 -0.30 -0.03 0.00 0.07 0.00 0.00 59.98 59.83 1uhs h ARG 59 Cb 0.19 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 1uhs h ARG 59 CO -0.02 0.95 -0.05 0.77 -1.07 0.00 0.00 179.97 180.54 1uhs h SER 60 N -0.10 0.24 0.26 7.04 0.02 -0.51 -3.34 113.55 117.15 1uhs h SER 60 Ca -0.02 -0.41 -0.01 0.00 -0.84 0.00 0.00 61.79 60.50 1uhs h SER 60 Cb 1.01 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.49 1uhs h SER 60 CO 0.07 0.59 -0.13 -0.33 -1.14 0.00 0.00 176.83 175.90 1uhs h GLU 61 N -0.12 -0.34 0.00 3.45 4.39 -0.66 -3.49 114.58 117.80 1uhs h GLU 61 Ca 0.03 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1uhs h GLU 61 Cb 0.50 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1uhs h GLU 61 CO 0.02 -0.23 0.00 0.41 -1.16 0.00 0.00 179.01 178.05 1uhs n GLY 62 N -1.18 0.84 3.93 -3.84 0.00 -0.79 -5.09 105.19 99.06 1uhs n GLY 62 Ca -0.04 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 45.09 1uhs n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uhs s LEU 63 N 0.00 3.40 0.00 0.99 1.02 -1.24 -5.10 118.68 117.75 1uhs s LEU 63 Ca 0.00 0.53 0.00 0.00 0.02 0.00 0.00 54.13 54.68 1uhs s LEU 63 Cb 0.00 -3.38 0.00 0.00 0.02 0.00 0.00 46.19 42.83 1uhs s LEU 63 CO 0.00 -0.92 0.00 -0.81 0.02 0.00 0.00 176.35 174.64 1uhs n PRO 64 N -2.38 -0.64 -3.50 1.29 -0.04 -1.26 -5.11 135.00 123.37 1uhs n PRO 64 Ca 0.03 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.33 1uhs n PRO 64 Cb 0.58 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.99 1uhs n PRO 64 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1uhs s SER 65 N -1.52 -0.61 -0.53 3.54 0.01 -1.26 -5.06 113.70 108.27 1uhs s SER 65 Ca 0.00 0.52 0.02 0.00 1.31 0.00 0.00 55.95 57.80 1uhs s SER 65 Cb 0.00 0.53 0.44 0.00 0.21 0.00 0.00 66.02 67.20 1uhs s SER 65 CO 0.00 -0.67 1.66 -0.62 0.41 0.00 0.00 173.24 174.02 1uhs n GLU 66 N 0.59 3.09 -2.06 12.44 -0.58 -1.26 -5.02 120.64 127.83 1uhs n GLU 66 Ca -0.18 -3.73 -0.42 0.00 -0.42 0.00 0.00 57.16 52.42 1uhs n GLU 66 Cb 0.59 -2.28 -0.03 0.00 -0.57 0.00 0.00 31.44 29.15 1uhs n GLU 66 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1uhs n ARG 68 N 4.79 2.19 0.21 0.00 0.63 -1.26 -4.60 116.66 118.62 1uhs n ARG 68 Ca 0.14 -3.25 0.15 0.00 -0.92 0.00 0.00 57.85 53.97 1uhs n ARG 68 Cb 0.41 -2.01 0.57 0.00 0.45 0.00 0.00 32.46 31.89 1uhs n ARG 68 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 1uhs h SER 69 N 1.21 0.00 -4.34 6.15 0.02 -2.04 -3.48 113.55 111.08 1uhs h SER 69 Ca 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 1uhs h SER 69 Cb 1.88 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 64.37 1uhs h SER 69 CO 0.75 0.00 -0.87 0.52 -1.14 0.00 0.00 176.83 176.09 1uhs n VAL 70 N -2.72 -9.08 -3.91 2.27 0.31 -1.26 -5.10 118.33 98.84 1uhs n VAL 70 Ca 0.02 1.54 -0.09 0.00 -0.01 0.00 0.00 64.34 65.80 1uhs n VAL 70 Cb 0.29 -5.71 -0.05 0.00 -0.91 0.00 0.00 33.84 27.47 1uhs n VAL 70 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1uhs s THR 71 N -0.73 0.02 -2.00 2.52 -4.23 -1.26 -5.28 115.64 104.67 1uhs s THR 71 Ca -0.10 -1.21 0.24 0.00 -1.18 0.00 0.00 61.69 59.43 1uhs s THR 71 Cb 0.01 -1.95 0.67 0.00 1.34 0.00 0.00 72.50 72.57 1uhs s THR 71 CO 0.52 -0.09 1.77 0.47 -0.54 0.00 0.00 174.62 176.75