#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 -1.09 -1.24 1.61 3.41 -1.26 -5.05 113.62 110.00 1uhs n SER 2 Ca 0.00 -1.37 0.01 0.00 -0.26 0.00 0.00 58.87 57.25 1uhs n SER 2 Cb 0.00 1.72 0.11 0.00 -0.26 0.00 0.00 64.21 65.78 1uhs n SER 2 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1uhs n GLU 3 N -0.67 1.38 0.00 4.33 4.07 -1.26 -4.94 120.64 123.55 1uhs n GLU 3 Ca 0.02 -3.04 0.00 0.00 -0.06 0.00 0.00 57.16 54.08 1uhs n GLU 3 Cb 0.46 -1.21 0.00 0.00 -0.06 0.00 0.00 31.44 30.63 1uhs n GLU 3 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1uhs n GLY 4 N -0.53 0.50 3.49 8.31 0.00 -1.26 -5.09 105.19 110.62 1uhs n GLY 4 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.20 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 -4.00 -2.46 -0.57 4.61 0.00 -1.26 -5.04 121.76 113.05 1uhs s ALA 5 Ca 0.00 2.16 0.01 0.00 0.00 0.00 0.00 51.96 54.13 1uhs s ALA 5 Cb 0.00 -1.95 0.51 0.00 0.00 0.00 0.00 23.12 21.67 1uhs s ALA 5 CO 0.00 -0.95 1.91 0.00 0.00 0.00 0.00 175.76 176.72 1uhs n ALA 6 N 5.16 5.96 -0.06 0.00 0.00 -1.26 -4.48 120.51 125.83 1uhs n ALA 6 Ca -0.10 -3.35 -0.22 0.00 0.00 0.00 0.00 53.44 49.77 1uhs n ALA 6 Cb 0.51 -1.53 -0.12 0.00 0.00 0.00 0.00 19.45 18.31 1uhs n ALA 6 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1uhs n THR 7 N -0.97 1.63 -2.13 0.00 -1.04 -1.26 -4.96 114.28 105.54 1uhs n THR 7 Ca 0.59 -0.29 -0.28 0.00 -2.04 0.00 0.00 64.05 62.03 1uhs n THR 7 Cb 0.95 -1.91 0.14 0.00 -1.82 0.00 0.00 70.33 67.69 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 -2.45 1.22 0.49 -2.82 -1.94 -1.26 -5.11 119.30 107.43 1uhs s MET 8 Ca -0.27 -0.53 0.02 0.00 -1.71 0.00 0.00 55.69 53.20 1uhs s MET 8 Cb 0.07 -2.02 0.02 0.00 2.01 0.00 0.00 34.83 34.90 1uhs s MET 8 CO 0.65 -1.94 0.13 0.25 -0.01 0.00 0.00 175.02 174.10 1uhs n THR 9 N -3.38 0.00 0.10 2.05 -2.24 -1.26 -5.02 114.28 104.53 1uhs n THR 9 Ca 0.14 -2.19 -0.05 0.00 -2.27 0.00 0.00 64.05 59.67 1uhs n THR 9 Cb 0.60 0.28 0.08 0.00 -2.10 0.00 0.00 70.33 69.18 1uhs n THR 9 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1uhs h GLU 10 N 0.00 0.13 -0.07 -0.78 5.08 -1.99 -2.13 114.58 114.82 1uhs h GLU 10 Ca -0.37 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 57.80 1uhs h GLU 10 Cb 1.20 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1uhs h GLU 10 CO 0.61 0.80 -0.27 0.22 -1.00 0.00 0.00 179.01 179.36 1uhs h ASP 11 N 0.09 0.13 0.00 1.42 1.82 -1.98 -0.51 116.42 117.38 1uhs h ASP 11 Ca -0.02 -0.04 -0.06 0.00 -0.39 0.00 0.00 57.03 56.52 1uhs h ASP 11 Cb 1.28 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 41.25 1uhs h ASP 11 CO 0.10 0.40 -0.36 1.56 -1.61 0.00 0.00 179.24 179.33 1uhs h GLN 12 N 0.12 0.00 -0.12 0.28 4.20 -1.85 -3.19 115.11 114.54 1uhs h GLN 12 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1uhs h GLN 12 Cb 0.55 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 1uhs h GLN 12 CO 0.04 0.94 0.08 0.28 -0.67 0.00 0.00 178.83 179.50 1uhs h VAL 13 N -1.00 1.03 -0.41 -0.54 2.07 -1.39 0.51 116.25 116.53 1uhs h VAL 13 Ca -0.10 -0.07 -0.12 0.00 0.82 0.00 0.00 66.70 67.23 1uhs h VAL 13 Cb 1.03 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1uhs h VAL 13 CO -0.06 0.03 -0.23 -0.33 0.02 0.00 0.00 177.57 177.01 1uhs h GLU 14 N 0.17 0.87 0.21 1.57 5.08 -1.21 -2.34 114.58 118.94 1uhs h GLU 14 Ca 0.05 -0.40 -0.32 0.00 -1.00 0.00 0.00 59.36 57.69 1uhs h GLU 14 Cb -0.01 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.24 1uhs h GLU 14 CO -0.01 1.04 -1.47 0.82 -1.00 0.00 0.00 179.01 178.39 1uhs h ILE 15 N 0.69 1.27 -0.33 3.13 2.04 -1.36 -2.79 117.51 120.16 1uhs h ILE 15 Ca 0.09 -2.77 0.00 0.00 1.00 0.00 0.00 64.86 63.18 1uhs h ILE 15 Cb 0.80 2.97 -0.02 0.00 -0.74 0.00 0.00 36.82 39.83 1uhs h ILE 15 CO 0.07 0.84 0.22 -0.07 0.00 0.00 0.00 178.15 179.20 1uhs h LEU 16 N 0.12 0.38 0.02 1.44 3.38 -0.04 -1.83 115.31 118.78 1uhs h LEU 16 Ca -0.24 -0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.47 1uhs h LEU 16 Cb 2.11 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 42.74 1uhs h LEU 16 CO 0.24 0.28 -1.23 -0.33 0.09 0.00 0.00 178.44 177.49 1uhs h GLU 17 N 0.45 0.05 -0.02 1.13 5.08 -1.49 -3.29 114.58 116.48 1uhs h GLU 17 Ca 0.12 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 1uhs h GLU 17 Cb -0.05 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1uhs h GLU 17 CO -0.03 0.92 -0.28 -0.92 -1.00 0.00 0.00 179.01 177.70 1uhs h TYR 18 N 0.01 0.05 -0.44 4.33 5.03 -1.07 -2.10 116.97 122.78 1uhs h TYR 18 Ca -0.11 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.19 1uhs h TYR 18 Cb 1.87 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 40.13 1uhs h TYR 18 CO 0.01 0.32 0.01 0.09 -1.32 0.00 0.00 178.16 177.27 1uhs n ASN 19 N -4.19 4.59 -0.01 -2.11 3.02 -0.81 -2.47 115.26 113.28 1uhs n ASN 19 Ca -0.02 -2.71 -0.01 0.00 -0.03 0.00 0.00 54.58 51.81 1uhs n ASN 19 Cb 0.34 -0.64 -0.02 0.00 -0.61 0.00 0.00 39.78 38.85 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 0.46 0.00 -0.02 3.10 7.35 -0.80 -3.87 117.46 123.68 1uhs n PHE 20 Ca 0.21 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.89 1uhs n PHE 20 Cb 0.98 -0.11 -0.05 0.00 0.35 0.00 0.00 39.48 40.64 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 -2.13 3.40 -1.60 -2.13 3.02 -1.15 -4.21 115.26 110.48 1uhs n ASN 21 Ca -0.04 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.43 1uhs n ASN 21 Cb 0.57 0.89 0.23 0.00 -0.61 0.00 0.00 39.78 40.86 1uhs n ASN 21 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1uhs n LYS 22 N -2.07 2.57 0.00 3.52 4.01 -1.03 -4.77 118.16 120.39 1uhs n LYS 22 Ca -0.07 -3.07 0.00 0.00 -0.51 0.00 0.00 58.31 54.66 1uhs n LYS 22 Cb 0.53 -2.01 0.00 0.00 -0.51 0.00 0.00 35.03 33.04 1uhs n LYS 22 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1uhs n VAL 23 N -0.80 0.00 -3.91 -0.18 0.31 -1.26 -4.88 118.33 107.61 1uhs n VAL 23 Ca 0.40 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.75 1uhs n VAL 23 Cb 1.26 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 34.20 1uhs n VAL 23 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1uhs s ASN 24 N -1.10 -0.01 -0.08 4.52 2.20 -1.25 -5.02 114.94 114.20 1uhs s ASN 24 Ca 0.00 -0.23 0.02 0.00 -0.94 0.00 0.00 52.86 51.72 1uhs s ASN 24 Cb 0.00 0.18 -0.07 0.00 -2.00 0.00 0.00 41.25 39.36 1uhs s ASN 24 CO 0.00 -0.34 -0.05 0.29 -2.94 0.00 0.00 177.10 174.05 1uhs n LYS 25 N -0.81 0.93 -3.08 3.55 4.01 -1.26 -3.98 118.16 117.52 1uhs n LYS 25 Ca 0.01 0.04 -0.28 0.00 -0.51 0.00 0.00 58.31 57.56 1uhs n LYS 25 Cb 0.60 -1.18 -0.05 0.00 -0.51 0.00 0.00 35.03 33.89 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 -2.63 3.82 -1.28 2.13 8.25 -1.26 -4.87 115.22 119.38 1uhs n HIS 26 Ca -0.15 -3.93 -0.30 0.00 -0.26 0.00 0.00 57.72 53.09 1uhs n HIS 26 Cb 0.68 -0.57 0.22 0.00 1.12 0.00 0.00 29.99 31.44 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 -3.19 -0.61 0.42 -0.41 0.04 -1.26 -5.09 135.00 124.89 1uhs s PRO 27 Ca 0.45 -0.08 0.08 0.00 0.04 0.00 0.00 61.00 61.49 1uhs s PRO 27 Cb 0.23 -1.67 -0.02 0.00 0.04 0.00 0.00 34.50 33.08 1uhs s PRO 27 CO -0.09 -3.31 0.38 -0.51 0.04 0.00 0.00 177.00 173.51 1uhs s ASP 28 N -4.07 5.05 0.61 6.66 1.01 -1.26 -4.96 116.67 119.71 1uhs s ASP 28 Ca 0.71 -0.74 0.30 0.00 0.71 0.00 0.00 52.55 53.52 1uhs s ASP 28 Cb -0.09 -0.58 1.61 0.00 1.01 0.00 0.00 42.92 44.87 1uhs s ASP 28 CO 0.55 -0.65 1.99 -0.65 0.21 0.00 0.00 175.17 176.63 1uhs h PRO 29 N 1.03 0.00 0.55 8.23 0.11 -1.98 -1.58 132.00 138.36 1uhs h PRO 29 Ca -0.41 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.67 1uhs h PRO 29 Cb 1.27 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.38 1uhs h PRO 29 CO 0.57 0.00 -0.26 1.15 -0.21 0.00 0.00 178.00 179.25 1uhs h THR 30 N 0.00 0.00 -0.70 -1.15 2.02 -2.00 -1.20 112.91 109.89 1uhs h THR 30 Ca 0.11 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 67.15 1uhs h THR 30 Cb 0.78 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 1uhs h THR 30 CO -0.00 0.00 0.24 0.74 0.37 0.00 0.00 175.52 176.87 1uhs h THR 31 N -0.83 1.25 -0.08 3.16 2.02 -1.88 -2.26 112.91 114.28 1uhs h THR 31 Ca -0.08 -0.83 0.01 0.00 0.77 0.00 0.00 66.41 66.28 1uhs h THR 31 Cb 0.56 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1uhs h THR 31 CO 0.12 0.33 0.06 0.25 0.37 0.00 0.00 175.52 176.65 1uhs h LEU 32 N 1.02 0.06 -0.99 2.58 5.85 -1.32 -1.52 115.31 120.99 1uhs h LEU 32 Ca 0.23 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.90 1uhs h LEU 32 Cb 0.26 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1uhs h LEU 32 CO -0.01 0.05 0.14 0.00 -0.34 0.00 0.00 178.44 178.27 1uhs h LEU 34 N 0.84 0.09 -0.21 0.00 3.38 -1.31 -2.92 115.31 115.18 1uhs h LEU 34 Ca 0.18 -0.05 -0.22 0.00 0.09 0.00 0.00 57.88 57.88 1uhs h LEU 34 Cb 0.30 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.03 1uhs h LEU 34 CO -0.00 0.67 -0.85 0.40 0.09 0.00 0.00 178.44 178.75 1uhs h ILE 35 N 0.06 1.33 0.00 1.22 2.04 -1.16 -2.38 117.51 118.63 1uhs h ILE 35 Ca -0.01 -2.18 -0.07 0.00 1.00 0.00 0.00 64.86 63.61 1uhs h ILE 35 Cb 1.08 2.19 -0.01 0.00 -0.74 0.00 0.00 36.82 39.34 1uhs h ILE 35 CO 0.08 0.67 -0.32 0.00 0.00 0.00 0.00 178.15 178.58 1uhs h ALA 36 N 0.68 1.47 0.15 1.87 0.00 -1.17 -1.69 119.26 120.57 1uhs h ALA 36 Ca -0.07 -0.29 -0.24 0.00 0.00 0.00 0.00 54.91 54.32 1uhs h ALA 36 Cb 1.47 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 19.24 1uhs h ALA 36 CO 0.16 0.40 -1.01 0.00 0.00 0.00 0.00 179.25 178.79 1uhs h ALA 37 N 1.68 -0.09 0.53 0.00 0.00 -1.48 0.09 119.26 119.99 1uhs h ALA 37 Ca -0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 54.91 54.15 1uhs h ALA 37 Cb 0.56 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.47 1uhs h ALA 37 CO 0.04 0.49 -0.25 1.49 0.00 0.00 0.00 179.25 181.02 1uhs h GLU 38 N -0.13 -0.68 -0.68 0.00 4.81 -1.31 -3.26 114.58 113.32 1uhs h GLU 38 Ca -0.17 0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1uhs h GLU 38 Cb 1.78 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 31.27 1uhs h GLU 38 CO 0.19 -0.46 0.43 0.00 -0.73 0.00 0.00 179.01 178.44 1uhs h ALA 39 N -1.54 0.89 0.00 2.92 0.00 -1.49 -3.47 119.26 116.58 1uhs h ALA 39 Ca -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1uhs h ALA 39 Cb 0.54 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1uhs h ALA 39 CO 0.12 0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.98 1uhs n GLY 40 N -1.29 1.86 1.76 0.00 0.00 -0.82 -4.81 105.19 101.90 1uhs n GLY 40 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 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 -4.90 0.99 4.77 -0.04 -5.00 117.00 112.81 1uhs n LEU 41 Ca 0.00 -1.57 -0.24 0.00 -0.03 0.00 0.00 56.01 54.17 1uhs n LEU 41 Cb 0.00 0.26 -0.04 0.00 -2.33 0.00 0.00 43.42 41.32 1uhs n LEU 41 CO 0.00 -0.23 -0.12 0.42 -1.33 0.00 0.00 177.39 176.13 1uhs s THR 42 N -2.01 4.97 0.51 -5.08 -4.23 -1.26 -4.34 115.64 104.21 1uhs s THR 42 Ca 0.03 -0.98 0.17 0.00 -1.18 0.00 0.00 61.69 59.73 1uhs s THR 42 Cb 0.00 -3.61 0.29 0.00 1.34 0.00 0.00 72.50 70.52 1uhs s THR 42 CO 0.02 -0.20 2.12 -0.33 -0.54 0.00 0.00 174.62 175.69 1uhs h GLU 43 N 1.84 0.03 0.13 3.99 5.08 -1.93 -1.47 114.58 122.25 1uhs h GLU 43 Ca -0.49 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.86 1uhs h GLU 43 Cb 1.21 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1uhs h GLU 43 CO 0.64 0.02 -0.06 1.49 -1.00 0.00 0.00 179.01 180.10 1uhs h GLU 44 N 0.03 -0.17 -0.36 2.33 4.57 -1.98 0.11 114.58 119.12 1uhs h GLU 44 Ca 0.05 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.20 1uhs h GLU 44 Cb 0.15 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 1uhs h GLU 44 CO -0.00 0.15 0.06 1.96 -1.18 0.00 0.00 179.01 180.00 1uhs h GLN 45 N -0.51 0.53 -0.00 1.92 4.20 -1.87 -2.28 115.11 117.10 1uhs h GLN 45 Ca -0.02 -0.09 -0.17 0.00 0.06 0.00 0.00 58.65 58.43 1uhs h GLN 45 Cb 0.40 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 1uhs h GLN 45 CO 0.03 0.51 -0.79 1.15 -0.67 0.00 0.00 178.83 179.05 1uhs h THR 46 N 0.52 1.54 -0.60 -0.54 2.02 -1.21 -3.10 112.91 111.55 1uhs h THR 46 Ca 0.12 -2.65 -0.01 0.00 0.77 0.00 0.00 66.41 64.65 1uhs h THR 46 Cb 0.24 2.44 -0.03 0.00 -1.74 0.00 0.00 68.15 69.06 1uhs h THR 46 CO 0.00 0.76 0.35 -0.61 0.37 0.00 0.00 175.52 176.39 1uhs h GLN 47 N 0.03 0.82 -0.26 6.66 4.15 -0.18 -2.35 115.11 123.98 1uhs h GLN 47 Ca -0.01 -0.08 -0.11 0.00 0.77 0.00 0.00 58.65 59.22 1uhs h GLN 47 Cb 1.40 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.91 1uhs h GLN 47 CO 0.11 0.60 -0.30 0.87 -1.93 0.00 0.00 178.83 178.18 1uhs h LYS 48 N 0.81 0.53 -0.63 1.69 1.79 -1.55 -1.32 116.57 117.89 1uhs h LYS 48 Ca 0.21 -0.22 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 1uhs h LYS 48 Cb 0.00 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.60 1uhs h LYS 48 CO -0.04 0.77 0.29 2.35 -1.08 0.00 0.00 179.45 181.74 1uhs h TRP 49 N 0.46 0.88 0.01 -1.35 7.01 -1.38 0.70 115.95 122.28 1uhs h TRP 49 Ca 0.06 -0.03 -0.23 0.00 2.11 0.00 0.00 58.89 60.80 1uhs h TRP 49 Cb 0.75 -0.28 -0.03 0.00 -2.10 0.00 0.00 29.16 27.50 1uhs h TRP 49 CO 0.03 0.65 -1.13 0.74 -2.79 0.00 0.00 178.44 175.94 1uhs h PHE 50 N 0.89 0.04 -0.06 2.65 -1.00 -1.23 -1.80 116.94 116.42 1uhs h PHE 50 Ca 0.22 -0.03 -0.17 0.00 2.81 0.00 0.00 57.97 60.80 1uhs h PHE 50 Cb 0.10 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.65 1uhs h PHE 50 CO 0.01 1.02 -0.72 -0.22 -1.61 0.00 0.00 178.31 176.80 1uhs h LYS 51 N 0.01 0.29 0.20 1.51 3.64 -0.82 -2.92 116.57 118.48 1uhs h LYS 51 Ca -0.06 -0.24 -0.35 0.00 -1.27 0.00 0.00 60.65 58.73 1uhs h LYS 51 Cb 1.82 0.05 0.01 0.00 -0.41 0.00 0.00 32.23 33.71 1uhs h LYS 51 CO 0.13 0.89 -1.72 1.96 -2.27 0.00 0.00 179.45 178.44 1uhs h GLN 52 N 0.20 0.41 -0.09 1.90 4.20 -0.95 -3.33 115.11 117.45 1uhs h GLN 52 Ca -0.02 -0.71 0.03 0.00 0.06 0.00 0.00 58.65 58.00 1uhs h GLN 52 Cb 1.28 0.26 -0.00 0.00 0.30 0.00 0.00 27.48 29.32 1uhs h GLN 52 CO 0.12 1.34 0.06 -0.09 -0.67 0.00 0.00 178.83 179.59 1uhs h ARG 53 N 0.10 0.00 -0.12 1.46 9.65 -1.39 -0.99 114.38 123.09 1uhs h ARG 53 Ca -0.33 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.53 1uhs h ARG 53 Cb 2.10 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.68 1uhs h ARG 53 CO 0.19 0.00 0.02 -0.07 2.80 0.00 0.00 179.97 182.91 1uhs h LEU 54 N 0.00 0.15 -1.50 3.80 3.38 -1.62 -1.25 115.31 118.28 1uhs h LEU 54 Ca 0.04 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1uhs h LEU 54 Cb 0.17 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1uhs h LEU 54 CO -0.00 0.18 0.37 0.00 0.09 0.00 0.00 178.44 179.08 1uhs h ALA 55 N 1.85 1.70 0.12 1.53 0.00 -1.34 -0.35 119.26 122.77 1uhs h ALA 55 Ca 0.04 -0.03 -0.34 0.00 0.00 0.00 0.00 54.91 54.59 1uhs h ALA 55 Cb 0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1uhs h ALA 55 CO -0.00 0.24 -1.78 0.93 0.00 0.00 0.00 179.25 178.64 1uhs h GLU 56 N 0.66 0.25 -0.42 0.00 4.39 -1.47 -3.35 114.58 114.64 1uhs h GLU 56 Ca 0.22 -0.44 -0.02 0.00 0.34 0.00 0.00 59.36 59.47 1uhs h GLU 56 Cb 0.07 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1uhs h GLU 56 CO -0.06 1.11 0.19 2.35 -1.16 0.00 0.00 179.01 181.44 1uhs h TRP 57 N 0.07 0.58 -0.23 4.33 7.01 -0.93 -1.73 115.95 125.05 1uhs h TRP 57 Ca -0.34 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 60.61 1uhs h TRP 57 Cb 2.04 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 28.91 1uhs h TRP 57 CO 0.07 0.44 -0.01 0.00 -2.79 0.00 0.00 178.44 176.15 1uhs h ARG 58 N 0.59 0.34 0.03 2.65 3.08 -1.20 -0.57 114.38 119.30 1uhs h ARG 58 Ca 0.15 -0.06 -0.22 0.00 0.07 0.00 0.00 59.98 59.92 1uhs h ARG 58 Cb 0.09 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1uhs h ARG 58 CO -0.02 0.38 -1.00 0.00 -1.07 0.00 0.00 179.97 178.26 1uhs h ARG 59 N 0.34 0.12 0.29 0.04 2.47 -1.47 -1.23 114.38 114.93 1uhs h ARG 59 Ca 0.08 -0.17 -0.01 0.00 -1.26 0.00 0.00 59.98 58.62 1uhs h ARG 59 Cb 0.24 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.62 1uhs h ARG 59 CO 0.01 1.02 -0.14 0.77 0.56 0.00 0.00 179.97 182.18 1uhs h SER 60 N 0.05 -0.33 0.19 7.04 0.02 -0.84 -3.37 113.55 116.31 1uhs h SER 60 Ca -0.05 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1uhs h SER 60 Cb 1.70 0.09 0.00 0.00 0.14 0.00 0.00 62.40 64.33 1uhs h SER 60 CO 0.15 0.01 -0.09 -0.33 -1.14 0.00 0.00 176.83 175.42 1uhs h GLU 61 N -0.89 -0.25 -2.34 3.45 5.08 -1.28 -3.50 114.58 114.86 1uhs h GLU 61 Ca -0.04 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1uhs h GLU 61 Cb 0.30 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1uhs h GLU 61 CO 0.07 0.05 0.00 0.41 -1.00 0.00 0.00 179.01 178.53 1uhs n GLY 62 N -0.40 -2.24 3.72 -3.84 0.00 -0.46 -5.08 105.19 96.87 1uhs n GLY 62 Ca -0.09 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 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 3.65 1.13 0.99 1.02 -1.25 -5.09 118.68 119.14 1uhs s LEU 63 Ca 0.00 0.04 -0.18 0.00 0.02 0.00 0.00 54.13 54.02 1uhs s LEU 63 Cb 0.00 -2.12 0.26 0.00 0.02 0.00 0.00 46.19 44.35 1uhs s LEU 63 CO 0.00 0.27 1.14 -2.16 0.02 0.00 0.00 176.35 175.62 1uhs s PRO 64 N -1.65 -0.67 -0.06 1.29 0.04 -1.26 -5.03 135.00 127.67 1uhs s PRO 64 Ca 0.21 -0.04 0.02 0.00 0.04 0.00 0.00 61.00 61.24 1uhs s PRO 64 Cb -0.12 -1.66 0.07 0.00 0.04 0.00 0.00 34.50 32.83 1uhs s PRO 64 CO 0.12 -3.35 1.00 0.43 0.04 0.00 0.00 177.00 175.24 1uhs n SER 65 N -4.51 -0.98 -2.66 6.66 7.64 -1.26 -4.98 113.62 113.53 1uhs n SER 65 Ca 0.12 -1.85 -0.20 0.00 1.01 0.00 0.00 58.87 57.95 1uhs n SER 65 Cb 0.59 0.34 0.03 0.00 -1.01 0.00 0.00 64.21 64.15 1uhs n SER 65 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1uhs n GLU 66 N -0.27 -3.95 -1.40 1.43 -0.58 -1.26 -4.90 120.64 109.72 1uhs n GLU 66 Ca -0.23 0.86 -0.32 0.00 -0.42 0.00 0.00 57.16 57.04 1uhs n GLU 66 Cb 0.69 -5.53 0.08 0.00 -0.57 0.00 0.00 31.44 26.11 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 -0.92 2.08 -4.35 0.00 1.85 -1.26 -4.96 116.66 109.10 1uhs n ARG 68 Ca 0.59 0.61 -0.26 0.00 -1.00 0.00 0.00 57.85 57.79 1uhs n ARG 68 Cb 0.80 -3.18 -0.10 0.00 -1.05 0.00 0.00 32.46 28.92 1uhs n ARG 68 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1uhs s SER 69 N 7.70 3.94 -0.13 2.89 0.01 -1.26 -5.04 113.70 121.80 1uhs s SER 69 Ca 0.99 -0.72 0.15 0.00 1.31 0.00 0.00 55.95 57.69 1uhs s SER 69 Cb -0.36 -0.54 -0.22 0.00 0.21 0.00 0.00 66.02 65.11 1uhs s SER 69 CO 0.37 0.10 0.13 0.55 0.41 0.00 0.00 173.24 174.79 1uhs n VAL 70 N -0.01 0.89 -4.06 3.43 3.14 -1.26 -4.90 118.33 115.57 1uhs n VAL 70 Ca -0.11 -0.64 -0.33 0.00 -2.96 0.00 0.00 64.34 60.30 1uhs n VAL 70 Cb 0.56 -0.42 -0.15 0.00 -1.06 0.00 0.00 33.84 32.77 1uhs n VAL 70 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1uhs s THR 71 N -2.59 2.32 0.00 1.55 -1.32 -1.26 -5.37 115.64 108.96 1uhs s THR 71 Ca -0.08 -1.20 0.00 0.00 -1.21 0.00 0.00 61.69 59.20 1uhs s THR 71 Cb 0.06 -2.16 0.00 0.00 -1.51 0.00 0.00 72.50 68.89 1uhs s THR 71 CO 0.70 0.26 0.00 -0.67 -2.21 0.00 0.00 174.62 172.69