#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uxd s ILE 3 N 0.00 2.95 0.57 4.25 1.09 -1.26 -5.10 121.20 123.70 2uxd s ILE 3 Ca 0.00 -1.14 -0.19 0.00 -1.10 0.00 0.00 60.65 58.22 2uxd s ILE 3 Cb 0.00 -2.57 -0.05 0.00 -1.06 0.00 0.00 42.46 38.78 2uxd s ILE 3 CO 0.00 0.09 1.15 0.42 -0.10 0.00 0.00 174.94 176.50 2uxd s THR 4 N 1.30 3.00 0.27 2.92 -4.23 -1.26 -4.88 115.64 112.76 2uxd s THR 4 Ca -0.02 0.61 -0.00 0.00 -1.18 0.00 0.00 61.69 61.10 2uxd s THR 4 Cb -0.18 -3.24 0.25 0.00 1.34 0.00 0.00 72.50 70.68 2uxd s THR 4 CO -0.03 -0.14 1.77 0.11 -0.54 0.00 0.00 174.62 175.79 2uxd h LYS 5 N 1.03 0.66 -0.58 3.99 1.57 -2.00 -0.03 116.57 121.22 2uxd h LYS 5 Ca -0.50 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.21 2uxd h LYS 5 Cb 1.27 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.41 2uxd h LYS 5 CO 0.56 0.44 0.25 1.05 -0.57 0.00 0.00 179.45 181.18 2uxd h GLU 6 N 0.68 0.84 -0.86 3.15 9.09 -1.99 -1.40 114.58 124.11 2uxd h GLU 6 Ca 0.48 -0.14 0.09 0.00 0.05 0.00 0.00 59.36 59.84 2uxd h GLU 6 Cb 0.66 -0.14 -0.06 0.00 -1.65 0.00 0.00 28.75 27.55 2uxd h GLU 6 CO -0.35 0.71 0.56 0.93 0.05 0.00 0.00 179.01 180.90 2uxd h GLU 7 N 0.79 0.83 0.00 1.06 5.08 -1.38 -2.74 114.58 118.22 2uxd h GLU 7 Ca 0.19 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2uxd h GLU 7 Cb 0.16 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2uxd h GLU 7 CO -0.02 0.55 -0.22 -0.22 -1.00 0.00 0.00 179.01 178.10 2uxd h LYS 8 N 0.85 0.00 -0.43 2.33 3.64 -1.19 -3.34 116.57 118.44 2uxd h LYS 8 Ca 0.39 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.90 2uxd h LYS 8 Cb 0.39 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 2uxd h LYS 8 CO -0.16 0.88 0.49 1.96 -2.27 0.00 0.00 179.45 180.35 2uxd h GLN 9 N -1.00 0.00 -0.09 1.90 1.08 -1.22 0.58 115.11 116.35 2uxd h GLN 9 Ca -0.06 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 56.94 2uxd h GLN 9 Cb 0.94 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.38 2uxd h GLN 9 CO -0.03 0.00 -0.73 1.57 -0.95 0.00 0.00 178.83 178.69 2uxd h LYS 10 N 0.00 0.65 -0.20 1.46 5.09 -1.61 -2.97 116.57 118.99 2uxd h LYS 10 Ca 0.20 -0.58 -0.12 0.00 0.09 0.00 0.00 60.65 60.24 2uxd h LYS 10 Cb 1.18 0.14 -0.01 0.00 0.10 0.00 0.00 32.23 33.64 2uxd h LYS 10 CO -0.00 1.19 -0.39 0.28 -2.09 0.00 0.00 179.45 178.44 2uxd h VAL 11 N 0.31 1.30 0.00 0.07 2.07 -1.03 -0.63 116.25 118.34 2uxd h VAL 11 Ca -0.07 -1.53 -0.04 0.00 0.82 0.00 0.00 66.70 65.88 2uxd h VAL 11 Cb 1.38 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 2uxd h VAL 11 CO 0.15 0.48 -0.18 0.40 0.02 0.00 0.00 177.57 178.43 2uxd h ILE 12 N 0.39 0.86 0.00 4.57 2.04 -1.32 -2.01 117.51 122.04 2uxd h ILE 12 Ca 0.04 -0.70 -0.19 0.00 1.00 0.00 0.00 64.86 65.00 2uxd h ILE 12 Cb 0.86 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 38.31 2uxd h ILE 12 CO 0.07 0.18 -1.49 1.67 0.00 0.00 0.00 178.15 178.58 2uxd n GLN 13 N -3.92 0.62 0.26 2.37 7.27 -1.01 -1.64 117.38 121.33 2uxd n GLN 13 Ca -0.02 0.23 0.17 0.00 0.07 0.00 0.00 57.00 57.46 2uxd n GLN 13 Cb 0.27 -1.80 0.75 0.00 2.41 0.00 0.00 30.24 31.87 2uxd n GLN 13 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 2uxd h GLU 14 N 0.00 0.00 0.00 3.69 4.57 -0.43 -3.31 114.58 119.09 2uxd h GLU 14 Ca -0.19 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 2uxd h GLU 14 Cb 1.68 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.27 2uxd h GLU 14 CO 0.05 0.00 -0.90 1.19 -1.18 0.00 0.00 179.01 178.17 2uxd n PHE 15 N -2.90 0.00 -1.55 0.92 3.01 -0.84 -5.07 117.46 111.04 2uxd n PHE 15 Ca 0.00 0.00 -0.58 0.00 1.01 0.00 0.00 57.45 57.88 2uxd n PHE 15 Cb 0.24 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.63 2uxd n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2uxd n ALA 16 N -1.68 -2.82 0.30 4.37 0.00 -0.65 -4.69 120.51 115.34 2uxd n ALA 16 Ca 0.00 0.57 0.19 0.00 0.00 0.00 0.00 53.44 54.20 2uxd n ALA 16 Cb 0.29 -1.85 0.92 0.00 0.00 0.00 0.00 19.45 18.81 2uxd n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2uxd h ARG 17 N 3.61 0.00 -1.23 0.00 2.47 -1.90 -3.46 114.38 113.87 2uxd h ARG 17 Ca -0.50 0.00 0.33 0.00 -1.26 0.00 0.00 59.98 58.55 2uxd h ARG 17 Cb 1.40 0.00 -0.17 0.00 -1.65 0.00 0.00 29.97 29.56 2uxd h ARG 17 CO 0.71 0.00 0.91 -0.59 0.56 0.00 0.00 179.97 181.56 2uxd s PHE 18 N -3.86 -0.04 0.07 3.04 -0.12 -1.26 -5.07 117.98 110.73 2uxd s PHE 18 Ca -0.02 0.00 -0.37 0.00 -0.05 0.00 0.00 56.93 56.49 2uxd s PHE 18 Cb 0.11 0.52 -0.18 0.00 -0.63 0.00 0.00 43.02 42.83 2uxd s PHE 18 CO 0.42 -0.12 1.21 -2.30 -0.05 0.00 0.00 175.22 174.39 2uxd n PRO 19 N -0.27 0.73 -0.18 1.99 -0.02 -1.26 -0.97 135.00 135.02 2uxd n PRO 19 Ca -0.03 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2uxd n PRO 19 Cb 0.60 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 2uxd n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2uxd n GLY 20 N 2.11 1.42 3.09 -1.23 0.00 -1.26 -4.95 105.19 104.37 2uxd n GLY 20 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 2uxd n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2uxd n ASP 21 N 0.00 2.44 0.23 1.61 4.64 -0.14 -4.65 116.55 120.68 2uxd n ASP 21 Ca 0.00 -2.54 -0.15 0.00 -1.38 0.00 0.00 54.79 50.72 2uxd n ASP 21 Cb 0.00 -0.95 -0.08 0.00 -1.04 0.00 0.00 41.12 39.05 2uxd n ASP 21 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 2uxd h THR 22 N 4.37 0.62 -3.08 5.18 1.35 -1.91 -3.41 112.91 116.02 2uxd h THR 22 Ca 0.37 -0.04 -0.62 0.00 -0.55 0.00 0.00 66.41 65.58 2uxd h THR 22 Cb 0.54 0.64 -0.40 0.00 -1.73 0.00 0.00 68.15 67.20 2uxd h THR 22 CO 1.83 0.01 -0.71 -0.83 -0.25 0.00 0.00 175.52 175.56 2uxd s GLY 23 N -2.15 1.83 0.29 5.82 0.00 -1.26 -4.77 107.32 107.07 2uxd s GLY 23 Ca -0.16 -2.72 0.10 0.00 0.00 0.00 0.00 44.72 41.94 2uxd s GLY 23 CO 0.63 1.42 -0.13 -0.45 0.00 0.00 0.00 173.10 174.57 2uxd s SER 24 N 0.25 3.32 0.57 1.64 0.15 -1.26 -4.91 113.70 113.46 2uxd s SER 24 Ca 0.17 -1.11 0.35 0.00 0.70 0.00 0.00 55.95 56.06 2uxd s SER 24 Cb -0.25 -0.26 1.46 0.00 -1.71 0.00 0.00 66.02 65.26 2uxd s SER 24 CO -0.00 -0.14 1.72 0.74 1.20 0.00 0.00 173.24 176.76 2uxd h THR 25 N 2.24 0.29 0.05 6.45 2.02 -1.98 0.33 112.91 122.30 2uxd h THR 25 Ca -0.40 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 2uxd h THR 25 Cb 1.25 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 2uxd h THR 25 CO 0.65 0.00 -0.02 -0.33 0.37 0.00 0.00 175.52 176.19 2uxd h GLU 26 N 0.00 -0.06 0.04 6.66 3.07 -1.94 -2.86 114.58 119.49 2uxd h GLU 26 Ca 0.52 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 59.39 2uxd h GLU 26 Cb 2.30 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 30.18 2uxd h GLU 26 CO -0.01 0.35 -0.43 0.28 -1.40 0.00 0.00 179.01 177.81 2uxd h VAL 27 N -0.98 0.00 -0.66 3.13 2.07 -1.02 -0.62 116.25 118.17 2uxd h VAL 27 Ca -0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 2uxd h VAL 27 Cb 0.44 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.10 2uxd h VAL 27 CO 0.01 0.00 -0.45 1.56 0.02 0.00 0.00 177.57 178.71 2uxd h GLN 28 N -0.57 -0.18 -0.11 1.57 4.20 -0.66 0.58 115.11 119.94 2uxd h GLN 28 Ca 0.00 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.76 2uxd h GLN 28 Cb 0.59 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.37 2uxd h GLN 28 CO -0.26 -0.12 -0.14 0.28 -0.67 0.00 0.00 178.83 177.92 2uxd h VAL 29 N -0.19 0.63 0.05 -0.54 2.07 -1.24 0.79 116.25 117.82 2uxd h VAL 29 Ca 0.19 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.72 2uxd h VAL 29 Cb 0.55 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 2uxd h VAL 29 CO -0.74 0.00 -0.32 0.00 0.02 0.00 0.00 177.57 176.53 2uxd h ALA 30 N 0.87 -0.81 -0.72 1.67 0.00 0.50 0.28 119.26 121.05 2uxd h ALA 30 Ca 0.08 -0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.09 2uxd h ALA 30 Cb 0.30 0.74 -0.13 0.00 0.00 0.00 0.00 17.79 18.70 2uxd h ALA 30 CO -0.21 -0.89 -0.06 -0.07 0.00 0.00 0.00 179.25 178.02 2uxd h LEU 31 N -0.44 -0.45 0.48 0.00 3.38 0.45 -0.39 115.31 118.35 2uxd h LEU 31 Ca -0.00 0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 2uxd h LEU 31 Cb 0.45 0.37 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 2uxd h LEU 31 CO -0.19 -0.19 -0.50 -0.07 0.09 0.00 0.00 178.44 177.58 2uxd h LEU 32 N 0.07 -1.38 -0.92 1.67 3.38 0.14 -1.72 115.31 116.55 2uxd h LEU 32 Ca 0.38 0.11 0.27 0.00 0.09 0.00 0.00 57.88 58.72 2uxd h LEU 32 Cb 0.63 0.46 -0.15 0.00 0.09 0.00 0.00 40.66 41.69 2uxd h LEU 32 CO -0.67 -0.65 0.28 0.74 0.09 0.00 0.00 178.44 178.23 2uxd h THR 33 N -0.98 0.25 -0.17 0.22 2.02 0.64 0.20 112.91 115.10 2uxd h THR 33 Ca -0.06 -0.06 0.02 0.00 0.77 0.00 0.00 66.41 67.08 2uxd h THR 33 Cb 0.85 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 2uxd h THR 33 CO -0.07 0.03 -0.34 0.25 0.37 0.00 0.00 175.52 175.76 2uxd h LEU 34 N 0.19 -1.11 -0.39 2.58 6.46 -0.20 0.92 115.31 123.76 2uxd h LEU 34 Ca 0.61 0.14 0.08 0.00 -0.12 0.00 0.00 57.88 58.58 2uxd h LEU 34 Cb 1.29 0.44 -0.07 0.00 -0.73 0.00 0.00 40.66 41.60 2uxd h LEU 34 CO -0.69 -0.27 -0.09 0.03 -0.62 0.00 0.00 178.44 176.80 2uxd h ARG 35 N -0.30 0.01 0.12 1.25 3.08 -0.33 -2.11 114.38 116.10 2uxd h ARG 35 Ca 0.03 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.09 2uxd h ARG 35 Cb 0.39 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 2uxd h ARG 35 CO -0.32 0.00 -0.45 0.82 -1.07 0.00 0.00 179.97 178.96 2uxd h ILE 36 N 0.01 0.00 -0.82 2.04 2.04 -0.36 -0.91 117.51 119.51 2uxd h ILE 36 Ca 0.19 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.25 2uxd h ILE 36 Cb 0.28 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.23 2uxd h ILE 36 CO -0.39 0.00 0.19 0.78 0.00 0.00 0.00 178.15 178.73 2uxd h ASN 37 N -0.65 -0.03 0.00 1.72 -0.26 -0.60 0.21 115.58 115.97 2uxd h ASN 37 Ca -0.01 0.18 0.00 0.00 -0.56 0.00 0.00 56.30 55.91 2uxd h ASN 37 Cb 0.65 0.25 0.00 0.00 -1.06 0.00 0.00 38.32 38.16 2uxd h ASN 37 CO -0.23 -0.11 0.00 0.54 -1.06 0.00 0.00 177.43 176.57 2uxd n ARG 38 N -5.21 0.00 -0.67 0.81 5.12 -0.82 -2.20 116.66 113.70 2uxd n ARG 38 Ca 0.18 0.27 0.51 0.00 -1.93 0.00 0.00 57.85 56.88 2uxd n ARG 38 Cb 0.58 -1.22 0.80 0.00 -1.16 0.00 0.00 32.46 31.45 2uxd n ARG 38 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2uxd n LEU 39 N -1.23 0.04 0.15 0.55 -0.00 -0.40 0.13 117.00 116.23 2uxd n LEU 39 Ca 0.00 1.08 -0.12 0.00 -0.00 0.00 0.00 56.01 56.97 2uxd n LEU 39 Cb 0.00 -0.54 -0.07 0.00 -0.00 0.00 0.00 43.42 42.81 2uxd n LEU 39 CO 0.00 -1.11 0.46 0.28 -0.00 0.00 0.00 177.39 177.03 2uxd h SER 40 N 0.00 -0.35 -0.09 1.96 0.02 -0.43 -1.47 113.55 113.19 2uxd h SER 40 Ca 0.93 -0.19 0.03 0.00 -0.84 0.00 0.00 61.79 61.72 2uxd h SER 40 Cb 3.61 0.09 -0.00 0.00 0.14 0.00 0.00 62.40 66.24 2uxd h SER 40 CO -0.11 0.08 0.15 -0.08 -1.14 0.00 0.00 176.83 175.73 2uxd h GLU 41 N -0.86 0.00 -0.17 3.45 4.57 0.18 0.18 114.58 121.93 2uxd h GLU 41 Ca -0.04 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.00 2uxd h GLU 41 Cb 0.52 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 2uxd h GLU 41 CO 0.07 0.00 -0.43 1.25 -1.18 0.00 0.00 179.01 178.72 2uxd h HIS 42 N 0.00 0.77 0.00 0.92 2.76 -1.07 -3.05 115.15 115.48 2uxd h HIS 42 Ca 0.04 -0.29 0.00 0.00 -2.20 0.00 0.00 60.37 57.92 2uxd h HIS 42 Cb 0.34 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.16 2uxd h HIS 42 CO 0.00 1.05 0.00 1.28 -1.30 0.00 0.00 177.93 178.96 2uxd n LEU 43 N -4.24 0.00 0.13 0.26 4.77 0.57 -1.65 117.00 116.84 2uxd n LEU 43 Ca -0.06 0.01 0.10 0.00 -0.03 0.00 0.00 56.01 56.03 2uxd n LEU 43 Cb 0.55 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.67 2uxd n LEU 43 CO 0.46 -0.00 0.24 0.11 -1.33 0.00 0.00 177.39 176.87 2uxd h LYS 44 N 0.00 0.00 0.00 3.23 1.57 -1.23 -3.31 116.57 116.83 2uxd h LYS 44 Ca 0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 2uxd h LYS 44 Cb 0.01 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 2uxd h LYS 44 CO 0.00 0.04 -2.01 0.28 -0.57 0.00 0.00 179.45 177.19 2uxd n VAL 45 N -2.84 1.52 -2.95 0.50 0.31 -0.92 -4.65 118.33 109.30 2uxd n VAL 45 Ca 0.01 -0.22 -0.43 0.00 -0.01 0.00 0.00 64.34 63.69 2uxd n VAL 45 Cb 0.57 -2.00 0.01 0.00 -0.91 0.00 0.00 33.84 31.51 2uxd n VAL 45 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2uxd n HIS 46 N -4.33 2.28 0.29 3.52 8.25 -0.66 -4.81 115.22 119.77 2uxd n HIS 46 Ca -0.43 -2.57 0.17 0.00 -0.26 0.00 0.00 57.72 54.64 2uxd n HIS 46 Cb 0.77 -1.27 0.93 0.00 1.12 0.00 0.00 29.99 31.55 2uxd n HIS 46 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2uxd h LYS 47 N 5.33 0.00 -0.30 -0.41 1.57 -1.83 -0.26 116.57 120.67 2uxd h LYS 47 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2uxd h LYS 47 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2uxd h LYS 47 CO 1.34 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 181.85 2uxd n LYS 48 N -2.80 1.84 -2.37 3.15 5.02 -1.26 -4.43 118.16 117.31 2uxd n LYS 48 Ca -0.02 -1.29 -0.41 0.00 -2.02 0.00 0.00 58.31 54.57 2uxd n LYS 48 Cb 0.17 -1.34 0.01 0.00 -0.02 0.00 0.00 35.03 33.85 2uxd n LYS 48 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2uxd n ASP 49 N 0.53 7.57 0.12 4.39 -0.08 -0.11 -4.75 116.55 124.23 2uxd n ASP 49 Ca 0.14 -3.43 0.20 0.00 -1.51 0.00 0.00 54.79 50.19 2uxd n ASP 49 Cb 0.33 -1.26 0.74 0.00 2.34 0.00 0.00 41.12 43.27 2uxd n ASP 49 CO 0.00 0.00 0.00 0.45 0.12 0.00 0.00 177.20 177.77 2uxd h HIS 50 N 4.46 0.00 0.41 -0.67 3.86 -1.85 -2.19 115.15 119.17 2uxd h HIS 50 Ca 0.60 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.78 2uxd h HIS 50 Cb 0.33 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.80 2uxd h HIS 50 CO 1.44 0.00 -0.20 0.45 0.86 0.00 0.00 177.93 180.48 2uxd h HIS 51 N 0.00 -0.51 -0.96 2.45 3.86 -1.98 -2.48 115.15 115.53 2uxd h HIS 51 Ca 0.17 -0.01 0.17 0.00 -1.16 0.00 0.00 60.37 59.54 2uxd h HIS 51 Cb 1.10 0.17 -0.09 0.00 1.06 0.00 0.00 27.41 29.65 2uxd h HIS 51 CO 0.00 -0.19 0.61 0.77 0.86 0.00 0.00 177.93 179.98 2uxd h SER 52 N -0.95 0.71 -0.55 2.45 0.02 -1.83 -0.96 113.55 112.44 2uxd h SER 52 Ca -0.06 0.06 0.08 0.00 -0.84 0.00 0.00 61.79 61.03 2uxd h SER 52 Cb 0.55 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.96 2uxd h SER 52 CO 0.09 0.31 0.21 -0.74 -1.14 0.00 0.00 176.83 175.56 2uxd h HIS 53 N 0.72 0.36 -0.84 3.45 6.17 -1.23 0.28 115.15 124.07 2uxd h HIS 53 Ca 0.51 0.03 0.10 0.00 0.71 0.00 0.00 60.37 61.72 2uxd h HIS 53 Cb 0.83 -0.08 -0.06 0.00 2.52 0.00 0.00 27.41 30.62 2uxd h HIS 53 CO -0.00 0.11 0.54 -0.09 0.71 0.00 0.00 177.93 179.20 2uxd h ARG 54 N 0.39 0.76 -0.65 5.26 2.43 -0.71 0.35 114.38 122.21 2uxd h ARG 54 Ca 0.27 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.41 2uxd h ARG 54 Cb 0.30 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 2uxd h ARG 54 CO -0.27 0.51 0.43 0.78 -1.51 0.00 0.00 179.97 179.91 2uxd h GLY 55 N 0.79 0.90 0.51 2.80 0.00 -0.88 -2.01 103.07 105.19 2uxd h GLY 55 Ca 0.39 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 2uxd h GLY 55 CO -0.16 0.30 -0.47 -2.00 0.00 0.00 0.00 176.54 174.21 2uxd h LEU 56 N 0.82 -1.29 -1.51 3.11 5.85 0.27 -0.72 115.31 121.85 2uxd h LEU 56 Ca 0.25 0.11 0.24 0.00 0.84 0.00 0.00 57.88 59.32 2uxd h LEU 56 Cb 0.00 0.43 -0.07 0.00 0.37 0.00 0.00 40.66 41.39 2uxd h LEU 56 CO -0.06 -0.62 0.64 -0.07 -0.34 0.00 0.00 178.44 177.99 2uxd h LEU 57 N -0.92 0.38 0.52 2.25 4.07 -1.25 0.42 115.31 120.78 2uxd h LEU 57 Ca -0.05 0.05 -0.03 0.00 0.08 0.00 0.00 57.88 57.94 2uxd h LEU 57 Cb 0.81 -0.01 0.01 0.00 1.08 0.00 0.00 40.66 42.55 2uxd h LEU 57 CO -0.08 0.12 -0.25 0.24 -1.08 0.00 0.00 178.44 177.38 2uxd h MET 58 N 0.36 -0.68 0.35 1.13 2.86 -0.54 -2.14 114.93 116.27 2uxd h MET 58 Ca 0.52 0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 58.19 2uxd h MET 58 Cb 1.39 0.15 0.00 0.00 0.06 0.00 0.00 31.60 33.20 2uxd h MET 58 CO -0.20 -0.45 -0.17 0.52 1.06 0.00 0.00 176.91 177.67 2uxd h MET 59 N -0.71 -0.45 -0.43 1.72 2.86 0.78 -1.73 114.93 116.98 2uxd h MET 59 Ca -0.07 0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.65 2uxd h MET 59 Cb 0.54 0.10 -0.09 0.00 0.06 0.00 0.00 31.60 32.22 2uxd h MET 59 CO 0.12 -0.22 -0.54 0.28 1.06 0.00 0.00 176.91 177.61 2uxd h VAL 60 N -0.60 0.02 -0.54 -2.22 2.07 -0.38 -0.29 116.25 114.31 2uxd h VAL 60 Ca -0.05 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.56 2uxd h VAL 60 Cb 0.44 0.02 -0.07 0.00 -1.52 0.00 0.00 31.29 30.16 2uxd h VAL 60 CO 0.08 0.00 0.16 1.23 0.02 0.00 0.00 177.57 179.05 2uxd h GLY 61 N -0.37 0.71 0.26 2.17 0.00 -1.37 -0.50 103.07 103.97 2uxd h GLY 61 Ca 0.09 -0.07 0.08 0.00 0.00 0.00 0.00 47.33 47.44 2uxd h GLY 61 CO -0.61 -0.04 -0.01 -1.61 0.00 0.00 0.00 176.54 174.27 2uxd h GLN 62 N 0.31 0.10 -0.19 4.80 5.75 -0.28 0.16 115.11 125.75 2uxd h GLN 62 Ca 0.27 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.76 2uxd h GLN 62 Cb 0.35 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.87 2uxd h GLN 62 CO -0.31 0.07 0.10 -0.09 -2.65 0.00 0.00 178.83 175.95 2uxd h ARG 63 N 0.10 0.27 -0.53 1.69 2.43 -0.11 -0.59 114.38 117.63 2uxd h ARG 63 Ca 0.22 -0.03 0.15 0.00 -0.81 0.00 0.00 59.98 59.50 2uxd h ARG 63 Cb 0.32 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 2uxd h ARG 63 CO -0.37 0.27 0.38 -0.09 -1.51 0.00 0.00 179.97 178.65 2uxd h ARG 64 N 0.20 0.04 0.00 0.20 1.12 -0.03 -0.68 114.38 115.23 2uxd h ARG 64 Ca 0.07 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.94 2uxd h ARG 64 Cb 0.08 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.04 2uxd h ARG 64 CO -0.01 0.03 0.00 -2.13 -3.11 0.00 0.00 179.97 174.75 2uxd n ARG 65 N -4.39 0.00 -0.25 0.20 3.00 0.45 -1.40 116.66 114.27 2uxd n ARG 65 Ca 0.10 0.50 0.00 0.00 -0.00 0.00 0.00 57.85 58.45 2uxd n ARG 65 Cb 0.58 -1.39 0.07 0.00 0.00 0.00 0.00 32.46 31.73 2uxd n ARG 65 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2uxd h LEU 66 N 0.00 -0.77 -0.29 6.15 3.38 -0.91 0.53 115.31 123.39 2uxd h LEU 66 Ca 0.00 0.22 0.06 0.00 0.09 0.00 0.00 57.88 58.26 2uxd h LEU 66 Cb 0.00 0.48 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 2uxd h LEU 66 CO 0.00 -0.25 -0.13 -0.07 0.09 0.00 0.00 178.44 178.07 2uxd h LEU 67 N -0.03 -0.45 -1.88 1.67 3.38 -1.19 0.35 115.31 117.16 2uxd h LEU 67 Ca 0.34 0.11 0.16 0.00 0.09 0.00 0.00 57.88 58.57 2uxd h LEU 67 Cb 0.54 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 2uxd h LEU 67 CO -0.75 -0.17 0.56 -0.09 0.09 0.00 0.00 178.44 178.08 2uxd h ARG 68 N -0.09 0.00 0.21 1.13 2.43 0.32 0.11 114.38 118.49 2uxd h ARG 68 Ca 0.15 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 2uxd h ARG 68 Cb 0.32 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 2uxd h ARG 68 CO -0.35 0.00 -0.10 -0.92 -1.51 0.00 0.00 179.97 177.09 2uxd h TYR 69 N 0.00 -0.26 -0.18 2.20 3.20 0.08 -3.26 116.97 118.74 2uxd h TYR 69 Ca 0.26 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.14 2uxd h TYR 69 Cb 1.37 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.71 2uxd h TYR 69 CO 0.00 -0.16 -0.11 1.28 -1.64 0.00 0.00 178.16 177.53 2uxd n LEU 70 N -4.73 -0.19 0.30 2.82 4.77 0.25 0.61 117.00 120.83 2uxd n LEU 70 Ca -0.04 1.13 0.10 0.00 -0.03 0.00 0.00 56.01 57.17 2uxd n LEU 70 Cb 0.11 -0.44 0.47 0.00 -2.33 0.00 0.00 43.42 41.23 2uxd n LEU 70 CO 0.09 -0.67 1.08 -0.61 -1.33 0.00 0.00 177.39 175.95 2uxd h GLN 71 N 0.00 0.00 0.06 3.23 4.15 -1.37 0.13 115.11 121.32 2uxd h GLN 71 Ca 0.03 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.12 2uxd h GLN 71 Cb 0.08 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 2uxd h GLN 71 CO -0.17 0.00 -1.79 -2.13 -1.93 0.00 0.00 178.83 172.80 2uxd n ARG 72 N -2.79 0.67 0.04 1.69 0.63 0.20 -3.89 116.66 113.21 2uxd n ARG 72 Ca 0.00 0.37 -0.02 0.00 -0.92 0.00 0.00 57.85 57.29 2uxd n ARG 72 Cb 0.69 -1.70 -0.01 0.00 0.45 0.00 0.00 32.46 31.89 2uxd n ARG 72 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2uxd h GLU 73 N -0.41 -0.13 -3.04 -0.14 4.39 0.85 -3.40 114.58 112.71 2uxd h GLU 73 Ca -0.43 0.01 -0.69 0.00 0.34 0.00 0.00 59.36 58.59 2uxd h GLU 73 Cb 1.72 0.03 -0.36 0.00 -0.10 0.00 0.00 28.75 30.04 2uxd h GLU 73 CO -0.07 -0.09 -0.13 -3.47 -1.16 0.00 0.00 179.01 174.10 2uxd n ASP 74 N -3.20 4.27 -0.42 1.42 -0.08 -0.22 -4.91 116.55 113.41 2uxd n ASP 74 Ca -0.02 -3.23 0.39 0.00 -1.51 0.00 0.00 54.79 50.42 2uxd n ASP 74 Cb 0.05 -0.98 0.61 0.00 2.34 0.00 0.00 41.12 43.15 2uxd n ASP 74 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2uxd h PRO 75 N 5.52 0.00 0.01 -0.67 0.13 -1.67 0.26 132.00 135.58 2uxd h PRO 75 Ca 0.17 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.28 2uxd h PRO 75 Cb 0.75 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 2uxd h PRO 75 CO 0.90 0.00 -0.11 1.49 -0.23 0.00 0.00 178.00 180.05 2uxd h GLU 76 N 0.00 0.01 -0.82 0.86 4.57 -1.91 -3.15 114.58 114.14 2uxd h GLU 76 Ca 0.68 -0.03 0.19 0.00 -1.18 0.00 0.00 59.36 59.02 2uxd h GLU 76 Cb 3.25 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 31.80 2uxd h GLU 76 CO -0.01 1.01 0.55 0.00 -1.18 0.00 0.00 179.01 179.39 2uxd h ARG 77 N -0.97 0.32 0.54 1.92 3.08 -0.86 -1.82 114.38 116.60 2uxd h ARG 77 Ca -0.03 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 2uxd h ARG 77 Cb 1.05 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 31.03 2uxd h ARG 77 CO -0.00 0.21 -0.26 -0.92 -1.07 0.00 0.00 179.97 177.93 2uxd h TYR 78 N 0.33 -0.68 -0.89 3.04 3.20 -1.47 -1.28 116.97 119.23 2uxd h TYR 78 Ca 0.41 -0.02 0.26 0.00 3.14 0.00 0.00 58.73 62.53 2uxd h TYR 78 Cb 1.11 0.22 -0.04 0.00 1.54 0.00 0.00 36.73 39.57 2uxd h TYR 78 CO -0.00 -0.42 0.69 0.00 -1.64 0.00 0.00 178.16 176.79 2uxd h ARG 79 N -0.77 0.00 0.02 1.82 3.08 -1.39 -1.47 114.38 115.67 2uxd h ARG 79 Ca -0.07 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 2uxd h ARG 79 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 2uxd h ARG 79 CO 0.12 0.00 -0.01 0.00 -1.07 0.00 0.00 179.97 179.01 2uxd h ALA 80 N 1.45 -0.73 -0.45 0.04 0.00 -1.02 -2.76 119.26 115.79 2uxd h ALA 80 Ca 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2uxd h ALA 80 Cb 1.81 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.61 2uxd h ALA 80 CO -0.00 -0.73 0.00 1.28 0.00 0.00 0.00 179.25 179.80 2uxd n LEU 81 N -2.10 0.00 -0.31 0.00 4.77 -0.51 -1.49 117.00 117.36 2uxd n LEU 81 Ca -0.00 0.67 -0.05 0.00 -0.03 0.00 0.00 56.01 56.60 2uxd n LEU 81 Cb 0.01 -0.30 -0.01 0.00 -2.33 0.00 0.00 43.42 40.80 2uxd n LEU 81 CO 0.01 -0.30 0.57 0.40 -1.33 0.00 0.00 177.39 176.74 2uxd h ILE 82 N 0.00 0.05 0.00 -0.08 2.04 -1.66 -1.85 117.51 116.01 2uxd h ILE 82 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 2uxd h ILE 82 Cb 0.00 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.12 2uxd h ILE 82 CO 0.00 0.00 0.16 1.21 0.00 0.00 0.00 178.15 179.52 2uxd n GLU 83 N -5.42 0.37 -0.01 2.37 2.13 -0.55 -0.46 120.64 119.07 2uxd n GLU 83 Ca 0.06 -0.13 0.00 0.00 0.66 0.00 0.00 57.16 57.74 2uxd n GLU 83 Cb 0.36 -1.51 0.00 0.00 0.27 0.00 0.00 31.44 30.55 2uxd n GLU 83 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2uxd n LYS 84 N 2.44 0.00 0.00 5.31 4.81 -0.70 -4.96 118.16 125.06 2uxd n LYS 84 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 2uxd n LYS 84 Cb 0.18 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.23 2uxd n LYS 84 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2uxd n LEU 85 N 0.00 0.00 -0.87 3.14 4.77 0.39 -4.99 117.00 119.45 2uxd n LEU 85 Ca 0.00 -0.19 -0.11 0.00 -0.03 0.00 0.00 56.01 55.69 2uxd n LEU 85 Cb 0.02 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.06 2uxd n LEU 85 CO 0.00 0.22 -0.10 0.61 -1.33 0.00 0.00 177.39 176.79 2uxd n GLY 86 N 0.00 1.00 3.84 -0.72 0.00 -1.15 -4.93 105.19 103.23 2uxd n GLY 86 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2uxd n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2uxd s ILE 87 N -1.84 4.35 -0.40 -0.61 1.01 -1.25 -4.41 121.20 118.04 2uxd s ILE 87 Ca 0.00 0.76 -0.22 0.00 0.00 0.00 0.00 60.65 61.19 2uxd s ILE 87 Cb 0.00 -3.62 0.03 0.00 0.01 0.00 0.00 42.46 38.88 2uxd s ILE 87 CO 0.00 -1.00 0.53 0.54 0.00 0.00 0.00 174.94 175.02 2uxd n ARG 88 N -2.95 -2.20 0.00 2.79 5.12 -1.26 -4.82 116.66 113.34 2uxd n ARG 88 Ca 0.07 1.86 0.00 0.00 -1.93 0.00 0.00 57.85 57.84 2uxd n ARG 88 Cb 0.54 -4.07 0.00 0.00 -1.16 0.00 0.00 32.46 27.77 2uxd n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11