#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uuc s ILE 3 N 0.00 -0.29 0.58 0.52 1.01 -1.26 -5.14 121.20 116.62 2uuc s ILE 3 Ca 0.00 -0.14 -0.16 0.00 0.00 0.00 0.00 60.65 60.35 2uuc s ILE 3 Cb 0.00 -0.68 -0.05 0.00 0.01 0.00 0.00 42.46 41.74 2uuc s ILE 3 CO 0.00 -0.23 1.04 0.42 0.00 0.00 0.00 174.94 176.16 2uuc s THR 4 N 2.30 4.06 0.23 2.92 -4.23 -1.26 -4.77 115.64 114.89 2uuc s THR 4 Ca 0.06 0.95 -0.16 0.00 -1.18 0.00 0.00 61.69 61.37 2uuc s THR 4 Cb -0.16 -3.49 0.27 0.00 1.34 0.00 0.00 72.50 70.46 2uuc s THR 4 CO -0.13 -0.60 1.56 0.11 -0.54 0.00 0.00 174.62 175.03 2uuc h LYS 5 N 0.49 -0.02 0.14 3.99 6.56 -2.01 0.15 116.57 125.88 2uuc h LYS 5 Ca -0.47 0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.14 2uuc h LYS 5 Cb 1.21 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.83 2uuc h LYS 5 CO 0.59 -0.01 -0.34 1.05 -2.06 0.00 0.00 179.45 178.68 2uuc h GLU 6 N -0.02 -0.56 0.04 3.15 9.09 -1.96 1.95 114.58 126.27 2uuc h GLU 6 Ca 0.36 0.04 0.02 0.00 0.05 0.00 0.00 59.36 59.83 2uuc h GLU 6 Cb 0.62 0.13 -0.05 0.00 -1.65 0.00 0.00 28.75 27.79 2uuc h GLU 6 CO -0.96 -0.37 -0.48 0.93 0.05 0.00 0.00 179.01 178.18 2uuc h GLU 7 N -0.58 -0.63 -0.06 1.06 5.08 -1.44 1.56 114.58 119.57 2uuc h GLU 7 Ca 0.02 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2uuc h GLU 7 Cb 0.60 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 2uuc h GLU 7 CO -0.19 -0.42 -0.16 -0.22 -1.00 0.00 0.00 179.01 177.03 2uuc h LYS 8 N -0.65 -0.14 -1.00 2.33 1.63 -0.34 -1.31 116.57 117.08 2uuc h LYS 8 Ca 0.02 0.01 0.29 0.00 -0.85 0.00 0.00 60.65 60.12 2uuc h LYS 8 Cb 0.70 0.03 -0.14 0.00 -0.60 0.00 0.00 32.23 32.23 2uuc h LYS 8 CO -0.32 -0.10 0.58 1.96 -3.45 0.00 0.00 179.45 178.13 2uuc h GLN 9 N -0.15 0.43 0.18 1.90 1.08 0.36 -1.80 115.11 117.11 2uuc h GLN 9 Ca 0.01 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 2uuc h GLN 9 Cb 0.19 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 2uuc h GLN 9 CO -0.14 0.28 -0.18 -0.22 -0.95 0.00 0.00 178.83 177.63 2uuc h LYS 10 N 0.44 -0.35 -0.97 1.46 3.11 0.34 -1.97 116.57 118.63 2uuc h LYS 10 Ca 0.69 0.02 0.18 0.00 -2.81 0.00 0.00 60.65 58.74 2uuc h LYS 10 Cb 1.47 0.08 -0.10 0.00 -1.00 0.00 0.00 32.23 32.68 2uuc h LYS 10 CO -0.55 -0.23 0.57 -0.24 -2.81 0.00 0.00 179.45 176.20 2uuc h VAL 11 N -0.36 0.71 0.24 2.00 3.04 -0.94 0.46 116.25 121.41 2uuc h VAL 11 Ca -0.02 -0.25 -0.00 0.00 -1.01 0.00 0.00 66.70 65.41 2uuc h VAL 11 Cb 0.31 -0.09 -0.03 0.00 -2.01 0.00 0.00 31.29 29.47 2uuc h VAL 11 CO -0.02 0.13 -0.39 0.40 -1.01 0.00 0.00 177.57 176.68 2uuc h ILE 12 N 0.74 0.00 -0.29 3.17 2.04 -1.14 -1.21 117.51 120.82 2uuc h ILE 12 Ca 0.56 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.48 2uuc h ILE 12 Cb 0.84 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.85 2uuc h ILE 12 CO -0.38 0.00 -0.29 1.56 0.00 0.00 0.00 178.15 179.04 2uuc h GLN 13 N -0.67 -0.26 0.00 2.37 4.20 -0.54 0.69 115.11 120.89 2uuc h GLN 13 Ca -0.03 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2uuc h GLN 13 Cb 0.62 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.46 2uuc h GLN 13 CO -0.13 -0.18 0.32 1.49 -0.67 0.00 0.00 178.83 179.67 2uuc h GLU 14 N -0.27 0.00 0.00 1.46 4.57 -0.65 -2.70 114.58 116.99 2uuc h GLU 14 Ca 0.15 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 2uuc h GLU 14 Cb 0.51 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 2uuc h GLU 14 CO -0.45 0.00 -0.40 1.19 -1.18 0.00 0.00 179.01 178.18 2uuc n PHE 15 N -2.12 0.00 -1.65 0.92 3.01 0.10 -5.05 117.46 112.67 2uuc n PHE 15 Ca -0.01 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 58.00 2uuc n PHE 15 Cb 0.34 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.79 2uuc n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2uuc n ALA 16 N -0.94 0.60 0.43 4.37 0.00 0.20 -4.43 120.51 120.75 2uuc n ALA 16 Ca 0.00 0.41 0.08 0.00 0.00 0.00 0.00 53.44 53.93 2uuc n ALA 16 Cb 0.00 -2.19 0.34 0.00 0.00 0.00 0.00 19.45 17.60 2uuc n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2uuc n ARG 17 N 1.53 0.05 -3.61 0.00 5.12 -1.26 -4.80 116.66 113.69 2uuc n ARG 17 Ca 0.11 0.32 -0.04 0.00 -1.93 0.00 0.00 57.85 56.31 2uuc n ARG 17 Cb 0.31 -1.60 -0.02 0.00 -1.16 0.00 0.00 32.46 29.99 2uuc n ARG 17 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 2uuc s PHE 18 N -3.09 -0.10 0.16 -1.55 -0.12 -1.26 -5.06 117.98 106.96 2uuc s PHE 18 Ca 0.06 0.06 -0.34 0.00 -0.05 0.00 0.00 56.93 56.65 2uuc s PHE 18 Cb 0.09 0.51 -0.15 0.00 -0.63 0.00 0.00 43.02 42.85 2uuc s PHE 18 CO 0.28 -0.17 1.46 -0.35 -0.05 0.00 0.00 175.22 176.39 2uuc n PRO 19 N -0.11 1.84 0.00 1.99 -0.04 -1.26 -1.23 135.00 136.19 2uuc n PRO 19 Ca 0.01 0.66 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 2uuc n PRO 19 Cb 0.58 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.68 2uuc n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2uuc n GLY 20 N 2.87 2.82 3.60 0.55 0.00 -1.26 -5.01 105.19 108.76 2uuc n GLY 20 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 2uuc n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2uuc s ASP 21 N -1.31 5.71 -0.13 1.61 3.68 -0.36 -4.80 116.67 121.06 2uuc s ASP 21 Ca 0.00 1.60 -0.00 0.00 2.13 0.00 0.00 52.55 56.27 2uuc s ASP 21 Cb 0.00 -2.52 -0.08 0.00 -1.45 0.00 0.00 42.92 38.87 2uuc s ASP 21 CO 0.00 -1.81 -0.12 0.35 0.13 0.00 0.00 175.17 173.72 2uuc n THR 22 N 7.54 0.73 -1.56 1.71 -2.24 -1.26 -4.53 114.28 114.67 2uuc n THR 22 Ca 0.26 -0.26 -0.27 0.00 -2.27 0.00 0.00 64.05 61.50 2uuc n THR 22 Cb 0.46 -1.07 0.08 0.00 -2.10 0.00 0.00 70.33 67.70 2uuc n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2uuc n GLY 23 N 2.78 5.84 3.88 3.38 0.00 -1.26 -4.63 105.19 115.18 2uuc n GLY 23 Ca -0.23 -2.21 -0.30 0.00 0.00 0.00 0.00 46.02 43.28 2uuc n GLY 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2uuc s SER 24 N -2.43 6.30 0.19 1.61 1.04 -1.26 -4.86 113.70 114.29 2uuc s SER 24 Ca 0.58 1.22 -0.16 0.00 0.48 0.00 0.00 55.95 58.07 2uuc s SER 24 Cb 0.46 -2.38 0.16 0.00 0.10 0.00 0.00 66.02 64.37 2uuc s SER 24 CO 0.02 -0.69 1.64 0.74 0.98 0.00 0.00 173.24 175.92 2uuc h THR 25 N 0.12 0.43 0.19 2.02 2.02 -1.99 -0.45 112.91 115.24 2uuc h THR 25 Ca -0.46 0.00 0.01 0.00 0.77 0.00 0.00 66.41 66.74 2uuc h THR 25 Cb 1.19 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 2uuc h THR 25 CO 0.62 0.00 -0.30 -0.33 0.37 0.00 0.00 175.52 175.88 2uuc h GLU 26 N -0.04 -0.54 -0.43 6.66 3.07 -1.92 -0.74 114.58 120.63 2uuc h GLU 26 Ca 0.24 0.04 0.09 0.00 -0.50 0.00 0.00 59.36 59.23 2uuc h GLU 26 Cb 0.42 0.12 -0.09 0.00 -0.84 0.00 0.00 28.75 28.35 2uuc h GLU 26 CO -0.55 -0.36 -0.27 0.28 -1.40 0.00 0.00 179.01 176.71 2uuc h VAL 27 N -0.56 0.29 0.23 3.13 2.07 -1.54 0.07 116.25 119.94 2uuc h VAL 27 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2uuc h VAL 27 Cb 0.56 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 2uuc h VAL 27 CO -0.13 0.00 -0.48 1.56 0.02 0.00 0.00 177.57 178.54 2uuc h GLN 28 N -0.19 -0.75 -0.88 1.57 4.20 -0.78 0.15 115.11 118.43 2uuc h GLN 28 Ca 0.20 0.05 0.20 0.00 0.06 0.00 0.00 58.65 59.15 2uuc h GLN 28 Cb 0.50 0.17 -0.11 0.00 0.30 0.00 0.00 27.48 28.34 2uuc h GLN 28 CO -0.54 -0.50 0.41 0.28 -0.67 0.00 0.00 178.83 177.81 2uuc h VAL 29 N -0.78 0.56 0.48 -0.54 2.07 -0.66 0.54 116.25 117.93 2uuc h VAL 29 Ca -0.02 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 2uuc h VAL 29 Cb 0.74 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2uuc h VAL 29 CO -0.20 0.09 -0.23 0.00 0.02 0.00 0.00 177.57 177.25 2uuc h ALA 30 N 1.66 -1.17 -0.81 1.67 0.00 -0.29 0.93 119.26 121.24 2uuc h ALA 30 Ca 0.53 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.44 2uuc h ALA 30 Cb 0.92 0.25 -0.15 0.00 0.00 0.00 0.00 17.79 18.82 2uuc h ALA 30 CO -0.47 -1.13 -0.30 -0.07 0.00 0.00 0.00 179.25 177.28 2uuc h LEU 31 N -0.64 -1.09 -0.37 0.00 4.07 0.23 0.27 115.31 117.78 2uuc h LEU 31 Ca -0.07 0.26 0.07 0.00 0.08 0.00 0.00 57.88 58.22 2uuc h LEU 31 Cb 0.49 0.61 -0.06 0.00 1.08 0.00 0.00 40.66 42.78 2uuc h LEU 31 CO 0.11 -0.29 -0.00 -0.07 -1.08 0.00 0.00 178.44 177.11 2uuc h LEU 32 N -0.05 -0.15 -1.55 1.67 3.38 0.15 -0.89 115.31 117.86 2uuc h LEU 32 Ca 0.34 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.48 2uuc h LEU 32 Cb 0.59 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 2uuc h LEU 32 CO -0.85 -0.04 0.42 0.74 0.09 0.00 0.00 178.44 178.80 2uuc h THR 33 N 0.10 0.94 0.46 0.22 2.02 0.21 0.23 112.91 117.08 2uuc h THR 33 Ca 0.18 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 2uuc h THR 33 Cb 0.26 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 2uuc h THR 33 CO -0.31 0.10 -0.22 0.25 0.37 0.00 0.00 175.52 175.71 2uuc h LEU 34 N 0.52 -0.52 0.64 2.58 6.46 0.23 -1.12 115.31 124.11 2uuc h LEU 34 Ca 0.28 -0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.99 2uuc h LEU 34 Cb 0.43 0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.49 2uuc h LEU 34 CO -0.09 -0.31 -0.40 0.03 -0.62 0.00 0.00 178.44 177.06 2uuc h ARG 35 N -0.69 -0.95 -0.81 1.25 3.08 -0.66 -0.05 114.38 115.54 2uuc h ARG 35 Ca -0.06 0.06 0.19 0.00 0.07 0.00 0.00 59.98 60.24 2uuc h ARG 35 Cb 0.51 0.22 -0.14 0.00 0.08 0.00 0.00 29.97 30.63 2uuc h ARG 35 CO 0.10 -0.63 0.02 0.82 -1.07 0.00 0.00 179.97 179.21 2uuc h ILE 36 N -0.99 0.28 0.21 2.04 2.04 -0.60 0.26 117.51 120.74 2uuc h ILE 36 Ca -0.08 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 2uuc h ILE 36 Cb 0.80 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 2uuc h ILE 36 CO 0.08 0.02 -0.10 0.78 0.00 0.00 0.00 178.15 178.93 2uuc h ASN 37 N 0.09 -0.24 -0.65 1.72 -0.26 -0.91 0.44 115.58 115.77 2uuc h ASN 37 Ca 0.45 -0.21 0.11 0.00 -0.56 0.00 0.00 56.30 56.09 2uuc h ASN 37 Cb 0.83 0.06 -0.08 0.00 -1.06 0.00 0.00 38.32 38.07 2uuc h ASN 37 CO -0.72 0.10 0.24 -0.09 -1.06 0.00 0.00 177.43 175.90 2uuc h ARG 38 N -0.60 0.39 -0.41 0.81 2.43 -0.28 -0.74 114.38 115.98 2uuc h ARG 38 Ca -0.03 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.05 2uuc h ARG 38 Cb 0.44 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2uuc h ARG 38 CO 0.05 0.26 0.00 1.25 -1.51 0.00 0.00 179.97 180.01 2uuc h LEU 39 N 0.40 0.71 -0.97 3.80 7.12 -0.44 -2.60 115.31 123.33 2uuc h LEU 39 Ca 0.34 -0.31 0.10 0.00 0.13 0.00 0.00 57.88 58.14 2uuc h LEU 39 Cb 0.46 -0.19 -0.08 0.00 -0.53 0.00 0.00 40.66 40.33 2uuc h LEU 39 CO -0.35 0.84 0.61 0.28 -0.13 0.00 0.00 178.44 179.69 2uuc h SER 40 N 0.55 0.93 -0.54 1.25 0.02 0.12 -0.87 113.55 115.02 2uuc h SER 40 Ca 0.12 0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 61.00 2uuc h SER 40 Cb 0.48 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 2uuc h SER 40 CO 0.02 0.54 -0.05 -0.08 -1.14 0.00 0.00 176.83 176.12 2uuc h GLU 41 N 1.03 0.98 -0.80 3.45 4.57 -1.03 -2.68 114.58 120.10 2uuc h GLU 41 Ca 0.46 -0.34 0.09 0.00 -1.18 0.00 0.00 59.36 58.39 2uuc h GLU 41 Cb 0.35 -0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 28.79 2uuc h GLU 41 CO -0.23 1.01 0.45 1.25 -1.18 0.00 0.00 179.01 180.31 2uuc h HIS 42 N 0.85 0.81 -0.15 0.92 -0.00 -0.80 -2.18 115.15 114.60 2uuc h HIS 42 Ca 0.15 0.03 -0.13 0.00 -0.00 0.00 0.00 60.37 60.42 2uuc h HIS 42 Cb 0.60 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.76 2uuc h HIS 42 CO 0.04 0.33 -0.46 -0.07 -0.00 0.00 0.00 177.93 177.77 2uuc h LEU 43 N 0.75 0.40 -1.45 0.26 3.38 -1.13 -0.72 115.31 116.79 2uuc h LEU 43 Ca 0.39 -0.19 0.09 0.00 0.09 0.00 0.00 57.88 58.26 2uuc h LEU 43 Cb 0.36 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 2uuc h LEU 43 CO -0.25 0.80 0.47 0.11 0.09 0.00 0.00 178.44 179.67 2uuc h LYS 44 N 0.30 0.60 0.04 1.13 1.57 -1.06 -2.31 116.57 116.83 2uuc h LYS 44 Ca 0.02 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2uuc h LYS 44 Cb 0.93 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.11 2uuc h LYS 44 CO 0.08 0.40 -0.02 0.28 -0.57 0.00 0.00 179.45 179.62 2uuc h VAL 45 N 0.62 0.00 -2.14 0.50 2.07 -1.38 -3.40 116.25 112.52 2uuc h VAL 45 Ca 0.33 -0.37 -0.76 0.00 0.82 0.00 0.00 66.70 66.72 2uuc h VAL 45 Cb 0.47 0.00 -0.19 0.00 -1.52 0.00 0.00 31.29 30.05 2uuc h VAL 45 CO -0.11 0.00 1.42 1.41 0.02 0.00 0.00 177.57 180.30 2uuc n HIS 46 N -3.16 4.06 0.17 1.57 8.25 -0.31 -4.81 115.22 120.99 2uuc n HIS 46 Ca -0.01 -3.16 0.06 0.00 -0.26 0.00 0.00 57.72 54.35 2uuc n HIS 46 Cb 0.02 -1.96 0.28 0.00 1.12 0.00 0.00 29.99 29.45 2uuc n HIS 46 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2uuc n LYS 47 N 4.25 0.06 0.00 -0.41 5.02 -0.88 -1.99 118.16 124.21 2uuc n LYS 47 Ca 0.35 0.49 0.11 0.00 -2.02 0.00 0.00 58.31 57.25 2uuc n LYS 47 Cb 0.39 -1.68 0.12 0.00 -0.02 0.00 0.00 35.03 33.85 2uuc n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2uuc n LYS 48 N -1.81 0.14 -1.00 1.97 4.76 -1.26 -4.57 118.16 116.40 2uuc n LYS 48 Ca 0.00 -0.10 -0.26 0.00 -2.87 0.00 0.00 58.31 55.08 2uuc n LYS 48 Cb 0.06 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 31.71 2uuc n LYS 48 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2uuc n ASP 49 N -1.34 6.42 -0.29 4.39 2.03 -0.84 -4.70 116.55 122.22 2uuc n ASP 49 Ca 0.06 -2.42 0.10 0.00 0.52 0.00 0.00 54.79 53.05 2uuc n ASP 49 Cb 0.34 -1.30 0.26 0.00 -0.72 0.00 0.00 41.12 39.70 2uuc n ASP 49 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 2uuc h HIS 50 N 5.14 0.64 -0.20 -0.67 3.86 -1.86 -2.06 115.15 119.99 2uuc h HIS 50 Ca 0.58 0.04 0.05 0.00 -1.16 0.00 0.00 60.37 59.89 2uuc h HIS 50 Cb 0.45 -0.15 -0.07 0.00 1.06 0.00 0.00 27.41 28.70 2uuc h HIS 50 CO 1.86 0.03 -0.33 0.45 0.86 0.00 0.00 177.93 180.79 2uuc h HIS 51 N 0.46 -0.92 -1.00 2.45 3.86 -2.00 0.13 115.15 118.13 2uuc h HIS 51 Ca 0.50 0.04 0.13 0.00 -1.16 0.00 0.00 60.37 59.89 2uuc h HIS 51 Cb 0.87 0.43 -0.09 0.00 1.06 0.00 0.00 27.41 29.69 2uuc h HIS 51 CO -0.14 -0.40 0.63 0.77 0.86 0.00 0.00 177.93 179.65 2uuc h SER 52 N -0.37 0.91 -0.10 2.45 0.02 -1.79 0.18 113.55 114.86 2uuc h SER 52 Ca 0.11 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.14 2uuc h SER 52 Cb 0.55 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 2uuc h SER 52 CO -0.40 0.46 0.12 -0.74 -1.14 0.00 0.00 176.83 175.13 2uuc h HIS 53 N 0.96 0.00 -0.20 3.45 6.17 -0.43 0.12 115.15 125.22 2uuc h HIS 53 Ca 0.51 0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.57 2uuc h HIS 53 Cb 0.54 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.46 2uuc h HIS 53 CO -0.00 0.00 0.07 -0.09 0.71 0.00 0.00 177.93 178.62 2uuc h ARG 54 N 0.00 0.30 -0.08 5.26 9.65 0.19 -1.73 114.38 127.97 2uuc h ARG 54 Ca 0.05 -0.06 0.03 0.00 -1.10 0.00 0.00 59.98 58.90 2uuc h ARG 54 Cb 0.28 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.78 2uuc h ARG 54 CO -0.00 0.39 -0.13 0.78 2.80 0.00 0.00 179.97 183.81 2uuc h GLY 55 N 0.16 -0.08 -0.45 2.80 0.00 -0.76 -1.72 103.07 103.01 2uuc h GLY 55 Ca 0.07 0.15 0.11 0.00 0.00 0.00 0.00 47.33 47.65 2uuc h GLY 55 CO -0.00 -0.13 -0.34 -2.00 0.00 0.00 0.00 176.54 174.07 2uuc h LEU 56 N -0.17 -1.18 -0.89 3.11 5.85 -1.09 0.19 115.31 121.13 2uuc h LEU 56 Ca 0.07 0.23 0.18 0.00 0.84 0.00 0.00 57.88 59.20 2uuc h LEU 56 Cb 0.28 0.59 -0.10 0.00 0.37 0.00 0.00 40.66 41.79 2uuc h LEU 56 CO -0.19 -0.30 0.46 0.25 -0.34 0.00 0.00 178.44 178.32 2uuc h LEU 57 N -0.15 0.52 -0.30 2.25 5.85 -0.68 -0.99 115.31 121.81 2uuc h LEU 57 Ca 0.24 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 59.00 2uuc h LEU 57 Cb 0.55 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 2uuc h LEU 57 CO -0.70 0.17 -0.06 0.24 -0.34 0.00 0.00 178.44 177.75 2uuc h MET 58 N 0.59 0.58 0.47 1.25 2.86 0.18 -2.48 114.93 118.37 2uuc h MET 58 Ca 0.51 -0.22 -0.02 0.00 -2.06 0.00 0.00 59.70 57.91 2uuc h MET 58 Cb 0.82 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.44 2uuc h MET 58 CO -0.41 0.76 -0.22 0.52 1.06 0.00 0.00 176.91 178.62 2uuc h MET 59 N 0.35 -0.60 -1.10 1.72 2.86 -0.48 0.24 114.93 117.92 2uuc h MET 59 Ca 0.08 0.04 0.33 0.00 -2.06 0.00 0.00 59.70 58.09 2uuc h MET 59 Cb 0.54 0.14 -0.13 0.00 0.06 0.00 0.00 31.60 32.21 2uuc h MET 59 CO 0.03 -0.34 0.67 0.28 1.06 0.00 0.00 176.91 178.61 2uuc h VAL 60 N -0.75 0.33 0.02 -2.22 2.07 -1.25 0.59 116.25 115.03 2uuc h VAL 60 Ca -0.06 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 2uuc h VAL 60 Cb 0.54 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2uuc h VAL 60 CO 0.10 0.05 -0.01 1.23 0.02 0.00 0.00 177.57 178.97 2uuc h GLY 61 N 0.29 -0.03 0.17 2.17 0.00 -0.94 -2.23 103.07 102.50 2uuc h GLY 61 Ca 0.71 0.01 0.19 0.00 0.00 0.00 0.00 47.33 48.24 2uuc h GLY 61 CO -0.46 -0.01 0.61 -1.61 0.00 0.00 0.00 176.54 175.07 2uuc h GLN 62 N -0.76 0.72 0.22 4.80 5.75 0.24 -0.01 115.11 126.06 2uuc h GLN 62 Ca -0.00 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 2uuc h GLN 62 Cb 0.70 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 29.09 2uuc h GLN 62 CO 0.00 0.47 -0.10 -0.09 -2.65 0.00 0.00 178.83 176.46 2uuc h ARG 63 N 0.74 -0.28 -0.59 1.69 2.43 0.03 -2.38 114.38 116.02 2uuc h ARG 63 Ca 0.56 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.87 2uuc h ARG 63 Cb 0.91 0.06 -0.11 0.00 -0.42 0.00 0.00 29.97 30.41 2uuc h ARG 63 CO -0.35 -0.02 -0.17 0.00 -1.51 0.00 0.00 179.97 177.91 2uuc h ARG 64 N -0.51 -0.03 -0.09 0.20 3.08 -0.46 -0.02 114.38 116.56 2uuc h ARG 64 Ca -0.03 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.06 2uuc h ARG 64 Cb 0.38 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.38 2uuc h ARG 64 CO 0.05 -0.02 -0.45 0.00 -1.07 0.00 0.00 179.97 178.48 2uuc h ARG 65 N -0.03 -0.52 0.66 0.04 3.08 -0.90 0.29 114.38 116.99 2uuc h ARG 65 Ca 0.28 0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.34 2uuc h ARG 65 Cb 0.46 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 2uuc h ARG 65 CO -0.62 -0.35 -0.50 -0.07 -1.07 0.00 0.00 179.97 177.36 2uuc h LEU 66 N -0.54 -1.31 -0.80 3.04 3.38 -0.73 -1.40 115.31 116.95 2uuc h LEU 66 Ca 0.06 0.09 0.19 0.00 0.09 0.00 0.00 57.88 58.31 2uuc h LEU 66 Cb 0.65 0.40 -0.12 0.00 0.09 0.00 0.00 40.66 41.69 2uuc h LEU 66 CO -0.38 -0.72 0.21 -0.07 0.09 0.00 0.00 178.44 177.57 2uuc h LEU 67 N -1.12 0.02 -0.73 1.67 3.38 -0.86 0.59 115.31 118.28 2uuc h LEU 67 Ca -0.09 0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.11 2uuc h LEU 67 Cb 0.93 0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.84 2uuc h LEU 67 CO 0.03 -0.07 0.42 -0.09 0.09 0.00 0.00 178.44 178.81 2uuc h ARG 68 N 0.26 0.75 -0.04 1.13 2.43 -0.06 0.04 114.38 118.88 2uuc h ARG 68 Ca 0.47 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.60 2uuc h ARG 68 Cb 0.87 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.25 2uuc h ARG 68 CO -0.57 0.49 0.02 -0.92 -1.51 0.00 0.00 179.97 177.49 2uuc h TYR 69 N 0.77 0.05 0.47 2.20 3.20 0.12 -2.59 116.97 121.19 2uuc h TYR 69 Ca 0.33 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.18 2uuc h TYR 69 Cb 0.19 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 2uuc h TYR 69 CO -0.06 0.12 -0.42 1.25 -1.64 0.00 0.00 178.16 177.41 2uuc h LEU 70 N -0.03 -1.12 -2.20 2.82 7.12 -0.39 -1.75 115.31 119.76 2uuc h LEU 70 Ca 0.01 0.09 0.01 0.00 0.13 0.00 0.00 57.88 58.12 2uuc h LEU 70 Cb 0.09 0.36 -0.00 0.00 -0.53 0.00 0.00 40.66 40.58 2uuc h LEU 70 CO -0.00 -0.59 0.27 0.06 -0.13 0.00 0.00 178.44 178.05 2uuc h GLN 71 N -0.89 0.00 0.00 1.25 -0.00 -0.98 0.48 115.11 114.98 2uuc h GLN 71 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.60 2uuc h GLN 71 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.25 2uuc h GLN 71 CO -0.03 0.00 -0.76 -2.13 -0.00 0.00 0.00 178.83 175.91 2uuc n ARG 72 N -3.06 0.18 -0.06 0.06 0.63 -0.72 -3.58 116.66 110.11 2uuc n ARG 72 Ca -0.01 0.02 -0.06 0.00 -0.92 0.00 0.00 57.85 56.87 2uuc n ARG 72 Cb 0.34 -1.58 -0.10 0.00 0.45 0.00 0.00 32.46 31.57 2uuc n ARG 72 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2uuc n GLU 73 N -1.82 1.88 -2.83 -0.14 -0.58 0.14 -4.86 120.64 112.43 2uuc n GLU 73 Ca 0.04 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.68 2uuc n GLU 73 Cb 0.40 -1.32 0.02 0.00 -0.57 0.00 0.00 31.44 29.97 2uuc n GLU 73 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2uuc n ASP 74 N -2.49 -2.60 0.19 1.62 -0.08 0.69 -5.00 116.55 108.89 2uuc n ASP 74 Ca -0.21 -3.10 0.03 0.00 -1.51 0.00 0.00 54.79 50.00 2uuc n ASP 74 Cb 0.89 1.44 0.17 0.00 2.34 0.00 0.00 41.12 45.96 2uuc n ASP 74 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2uuc h PRO 75 N 4.32 0.00 0.00 -0.67 0.13 -1.70 -1.28 132.00 132.80 2uuc h PRO 75 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2uuc h PRO 75 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2uuc h PRO 75 CO 0.27 0.00 -0.05 1.49 -0.23 0.00 0.00 178.00 179.48 2uuc h GLU 76 N 0.00 0.00 -1.28 0.86 4.57 -1.91 -2.87 114.58 113.95 2uuc h GLU 76 Ca 0.00 0.00 0.37 0.00 -1.18 0.00 0.00 59.36 58.55 2uuc h GLU 76 Cb 1.20 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.72 2uuc h GLU 76 CO 0.00 0.00 0.89 0.00 -1.18 0.00 0.00 179.01 178.72 2uuc h ARG 77 N -0.42 0.09 0.00 1.92 3.08 -1.64 0.53 114.38 117.94 2uuc h ARG 77 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2uuc h ARG 77 Cb 0.05 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2uuc h ARG 77 CO 0.00 0.06 0.00 0.98 -1.07 0.00 0.00 179.97 179.94 2uuc n TYR 78 N -4.31 0.00 -0.35 3.04 9.36 -0.83 0.15 117.16 124.22 2uuc n TYR 78 Ca 0.30 0.00 0.28 0.00 3.32 0.00 0.00 57.90 61.80 2uuc n TYR 78 Cb 1.30 -0.33 0.54 0.00 -0.63 0.00 0.00 39.34 40.22 2uuc n TYR 78 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2uuc h ARG 79 N 0.00 0.20 0.88 2.98 3.08 -0.85 0.25 114.38 120.92 2uuc h ARG 79 Ca 0.00 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 2uuc h ARG 79 Cb 0.00 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.01 2uuc h ARG 79 CO 0.00 0.14 -0.42 0.00 -1.07 0.00 0.00 179.97 178.61 2uuc h ALA 80 N 1.82 -1.18 -0.64 0.04 0.00 -0.68 -0.77 119.26 117.84 2uuc h ALA 80 Ca 0.77 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 55.50 2uuc h ALA 80 Cb 1.98 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 20.16 2uuc h ALA 80 CO -0.58 -1.16 0.30 1.25 0.00 0.00 0.00 179.25 179.05 2uuc h LEU 81 N -1.18 0.39 0.49 0.00 6.46 0.30 0.28 115.31 122.05 2uuc h LEU 81 Ca -0.12 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.68 2uuc h LEU 81 Cb 0.91 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.82 2uuc h LEU 81 CO 0.20 0.24 -0.29 0.40 -0.62 0.00 0.00 178.44 178.36 2uuc h ILE 82 N 0.54 0.40 -0.54 4.05 2.04 -1.03 0.14 117.51 123.11 2uuc h ILE 82 Ca 0.31 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.27 2uuc h ILE 82 Cb 0.30 0.40 -0.11 0.00 -0.74 0.00 0.00 36.82 36.67 2uuc h ILE 82 CO -0.25 0.00 -0.30 -0.08 0.00 0.00 0.00 178.15 177.53 2uuc h GLU 83 N -0.74 -0.15 0.68 2.37 4.57 -0.47 2.49 114.58 123.33 2uuc h GLU 83 Ca -0.06 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.10 2uuc h GLU 83 Cb 0.60 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 2uuc h GLU 83 CO 0.06 -0.10 -0.35 -0.22 -1.18 0.00 0.00 179.01 177.22 2uuc h LYS 84 N -0.16 -0.91 0.00 1.92 3.64 -0.75 -2.73 116.57 117.58 2uuc h LYS 84 Ca 0.23 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 2uuc h LYS 84 Cb 0.53 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 2uuc h LYS 84 CO -0.63 -0.61 0.00 -0.07 -2.27 0.00 0.00 179.45 175.87 2uuc h LEU 85 N -0.95 0.00 -2.44 5.20 3.38 -0.25 -3.47 115.31 116.79 2uuc h LEU 85 Ca -0.09 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.67 2uuc h LEU 85 Cb 0.74 0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.64 2uuc h LEU 85 CO 0.14 0.00 -0.66 0.61 0.09 0.00 0.00 178.44 178.62 2uuc n GLY 86 N -0.83 -0.63 0.00 0.83 0.00 0.83 -5.05 105.19 100.35 2uuc n GLY 86 Ca -0.02 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.33 2uuc n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2uuc n ILE 87 N -2.94 0.00 -4.57 -0.61 5.41 -0.98 -5.03 119.36 110.63 2uuc n ILE 87 Ca -0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.67 2uuc n ILE 87 Cb 0.60 -0.46 0.00 0.00 -0.71 0.00 0.00 39.64 39.07 2uuc n ILE 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2uuc n ARG 88 N -0.15 0.00 0.00 0.38 5.12 -1.26 -4.91 116.66 115.84 2uuc n ARG 88 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2uuc n ARG 88 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2uuc n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11