#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uuj s LEU 3 N 0.00 3.81 0.84 7.52 1.43 -1.26 -5.12 118.68 125.90 1uuj s LEU 3 Ca 0.00 0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 53.09 1uuj s LEU 3 Cb 0.00 -1.95 0.09 0.00 0.03 0.00 0.00 46.19 44.36 1uuj s LEU 3 CO 0.00 0.20 1.09 -0.94 0.23 0.00 0.00 176.35 176.94 1uuj s SER 4 N 0.19 3.94 0.38 2.29 1.04 -1.26 -4.78 113.70 115.49 1uuj s SER 4 Ca 0.04 1.71 0.05 0.00 0.48 0.00 0.00 55.95 58.24 1uuj s SER 4 Cb -0.12 -2.38 0.76 0.00 0.10 0.00 0.00 66.02 64.38 1uuj s SER 4 CO 0.01 -2.38 2.02 -0.61 0.98 0.00 0.00 173.24 173.26 1uuj h GLN 5 N -1.37 0.68 -0.34 4.02 5.75 -1.99 0.20 115.11 122.06 1uuj h GLN 5 Ca -0.46 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 57.99 1uuj h GLN 5 Cb 1.26 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 29.64 1uuj h GLN 5 CO 0.52 0.45 0.18 0.07 -2.65 0.00 0.00 178.83 177.40 1uuj h ARG 6 N 0.70 0.48 -0.82 1.69 0.11 -1.99 0.22 114.38 114.77 1uuj h ARG 6 Ca 0.22 -0.06 -0.03 0.00 0.10 0.00 0.00 59.98 60.21 1uuj h ARG 6 Cb 0.02 -0.09 -0.04 0.00 1.11 0.00 0.00 29.97 30.97 1uuj h ARG 6 CO -0.05 0.42 0.39 1.96 0.10 0.00 0.00 179.97 182.78 1uuj h GLN 7 N 0.42 1.18 -0.28 0.08 4.20 -1.73 -1.61 115.11 117.38 1uuj h GLN 7 Ca 0.12 -0.17 -0.15 0.00 0.06 0.00 0.00 58.65 58.51 1uuj h GLN 7 Cb 0.08 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 1uuj h GLN 7 CO -0.02 0.91 -0.40 -0.09 -0.67 0.00 0.00 178.83 178.55 1uuj h ARG 8 N 1.17 0.76 -0.50 1.46 2.43 -0.67 0.55 114.38 119.57 1uuj h ARG 8 Ca 0.28 -0.45 -0.10 0.00 -0.81 0.00 0.00 59.98 58.90 1uuj h ARG 8 Cb 0.12 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1uuj h ARG 8 CO -0.04 1.08 -0.09 -0.44 -1.51 0.00 0.00 179.97 178.97 1uuj h ASP 9 N 0.51 0.91 -0.33 -3.80 3.32 -0.88 0.88 116.42 117.03 1uuj h ASP 9 Ca 0.03 -0.28 -0.05 0.00 0.02 0.00 0.00 57.03 56.75 1uuj h ASP 9 Cb 1.00 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 1uuj h ASP 9 CO 0.09 1.02 0.01 -0.33 -1.72 0.00 0.00 179.24 178.31 1uuj h GLU 10 N 0.82 0.58 -0.24 3.56 5.08 -1.08 -1.46 114.58 121.85 1uuj h GLU 10 Ca 0.14 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1uuj h GLU 10 Cb 0.61 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1uuj h GLU 10 CO 0.04 0.70 0.16 1.25 -1.00 0.00 0.00 179.01 180.16 1uuj h LEU 11 N 0.39 0.27 -0.72 1.33 5.85 -0.67 -1.17 115.31 120.58 1uuj h LEU 11 Ca 0.10 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 1uuj h LEU 11 Cb 0.43 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1uuj h LEU 11 CO 0.02 0.20 0.02 0.78 -0.34 0.00 0.00 178.44 179.11 1uuj h ASN 12 N 0.32 0.97 -0.70 1.25 2.35 -0.74 0.27 115.58 119.30 1uuj h ASN 12 Ca 0.09 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.57 1uuj h ASN 12 Cb -0.04 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.04 1uuj h ASN 12 CO -0.02 1.01 0.41 0.03 -1.65 0.00 0.00 177.43 177.21 1uuj h ARG 13 N 0.92 0.97 -0.55 0.81 3.08 -1.02 -0.34 114.38 118.26 1uuj h ARG 13 Ca 0.17 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 1uuj h ARG 13 Cb 0.51 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1uuj h ARG 13 CO 0.02 0.70 0.01 0.00 -1.07 0.00 0.00 179.97 179.63 1uuj h ALA 14 N 1.46 0.74 -0.13 0.04 0.00 -0.65 -1.26 119.26 119.46 1uuj h ALA 14 Ca 0.25 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1uuj h ALA 14 Cb -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1uuj h ALA 14 CO -0.04 0.56 0.06 0.82 0.00 0.00 0.00 179.25 180.64 1uuj h ILE 15 N 0.84 1.14 -0.33 0.00 2.04 -0.65 -1.74 117.51 118.81 1uuj h ILE 15 Ca 0.16 -0.42 0.07 0.00 1.00 0.00 0.00 64.86 65.67 1uuj h ILE 15 Cb 0.53 1.18 -0.07 0.00 -0.74 0.00 0.00 36.82 37.72 1uuj h ILE 15 CO 0.03 0.13 -0.10 0.00 0.00 0.00 0.00 178.15 178.20 1uuj h ALA 16 N 0.91 0.19 -0.53 1.87 0.00 -0.83 -0.54 119.26 120.33 1uuj h ALA 16 Ca 0.04 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1uuj h ALA 16 Cb 0.15 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1uuj h ALA 16 CO -0.00 -0.48 0.27 0.22 0.00 0.00 0.00 179.25 179.25 1uuj h ASP 17 N -0.03 0.38 -0.57 0.00 3.58 -1.18 -1.94 116.42 116.67 1uuj h ASP 17 Ca 0.16 0.03 0.03 0.00 0.42 0.00 0.00 57.03 57.68 1uuj h ASP 17 Cb 0.28 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.25 1uuj h ASP 17 CO -0.36 0.26 0.33 0.22 -2.88 0.00 0.00 179.24 176.81 1uuj h TYR 18 N 0.51 0.61 -0.30 0.28 3.20 -0.70 -0.78 116.97 119.79 1uuj h TYR 18 Ca 0.24 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.10 1uuj h TYR 18 Cb 0.16 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 1uuj h TYR 18 CO -0.10 0.33 0.06 -0.07 -1.64 0.00 0.00 178.16 176.74 1uuj h LEU 19 N 0.64 0.47 -0.51 2.82 3.38 -0.39 -1.98 115.31 119.74 1uuj h LEU 19 Ca 0.24 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1uuj h LEU 19 Cb 0.07 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1uuj h LEU 19 CO -0.12 0.60 0.25 -0.09 0.09 0.00 0.00 178.44 179.17 1uuj h ARG 20 N 0.33 0.73 -0.44 1.13 2.43 -1.27 0.42 114.38 117.71 1uuj h ARG 20 Ca 0.09 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 1uuj h ARG 20 Cb 0.32 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 1uuj h ARG 20 CO 0.00 0.61 0.09 0.66 -1.51 0.00 0.00 179.97 179.82 1uuj h SER 21 N 0.68 0.62 0.22 -3.80 4.64 -0.94 -1.99 113.55 112.99 1uuj h SER 21 Ca 0.18 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1uuj h SER 21 Cb 0.11 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1uuj h SER 21 CO -0.02 0.64 -0.08 0.59 -0.87 0.00 0.00 176.83 177.09 1uuj n ASN 22 N -4.29 0.61 0.00 4.97 3.02 -0.76 -4.93 115.26 113.88 1uuj n ASN 22 Ca 0.03 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.74 1uuj n ASN 22 Cb 0.22 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 1uuj n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uuj n GLY 23 N 1.22 0.67 2.74 7.41 0.00 -0.75 -4.96 105.19 111.52 1uuj n GLY 23 Ca 0.17 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1uuj n GLY 23 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1uuj n TYR 24 N -2.59 2.80 0.01 1.61 4.01 0.11 -4.76 117.16 118.35 1uuj n TYR 24 Ca 0.00 -2.80 -0.06 0.00 -0.16 0.00 0.00 57.90 54.88 1uuj n TYR 24 Cb 0.00 -1.91 0.13 0.00 -0.31 0.00 0.00 39.34 37.25 1uuj n TYR 24 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 1uuj h GLU 25 N 5.37 0.52 -0.23 -0.72 4.57 -1.88 -0.55 114.58 121.67 1uuj h GLU 25 Ca 0.49 -0.26 -0.06 0.00 -1.18 0.00 0.00 59.36 58.36 1uuj h GLU 25 Cb 0.52 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 1uuj h GLU 25 CO 1.58 0.83 -0.09 1.49 -1.18 0.00 0.00 179.01 181.64 1uuj h GLU 26 N 0.43 0.47 -0.83 1.92 4.81 -1.95 -1.55 114.58 117.88 1uuj h GLU 26 Ca 0.04 -0.20 0.04 0.00 -0.13 0.00 0.00 59.36 59.11 1uuj h GLU 26 Cb 0.88 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.19 1uuj h GLU 26 CO 0.07 0.73 0.53 0.00 -0.73 0.00 0.00 179.01 179.62 1uuj h ALA 27 N 0.73 1.10 -0.11 2.92 0.00 -1.91 -1.09 119.26 120.89 1uuj h ALA 27 Ca 0.05 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1uuj h ALA 27 Cb 0.58 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1uuj h ALA 27 CO 0.03 0.35 0.02 -0.92 0.00 0.00 0.00 179.25 178.73 1uuj h TYR 28 N 1.03 0.03 -0.03 0.00 3.20 -0.99 0.23 116.97 120.44 1uuj h TYR 28 Ca 0.33 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.24 1uuj h TYR 28 Cb 0.02 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 1uuj h TYR 28 CO -0.03 0.01 -0.14 1.03 -1.64 0.00 0.00 178.16 177.40 1uuj h SER 29 N 0.07 -0.40 -0.65 -2.11 0.87 -0.98 -0.93 113.55 109.42 1uuj h SER 29 Ca 0.05 0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.63 1uuj h SER 29 Cb 0.04 0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 1uuj h SER 29 CO -0.07 -0.19 0.25 0.58 -0.53 0.00 0.00 176.83 176.88 1uuj h VAL 30 N -0.21 1.24 -0.42 2.23 2.07 -1.10 -2.51 116.25 117.55 1uuj h VAL 30 Ca 0.06 -0.75 -0.15 0.00 0.82 0.00 0.00 66.70 66.68 1uuj h VAL 30 Cb 0.29 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1uuj h VAL 30 CO -0.15 0.30 -0.32 0.15 0.02 0.00 0.00 177.57 177.56 1uuj h PHE 31 N 0.91 1.12 -0.97 1.57 3.57 -0.72 -0.93 116.94 121.49 1uuj h PHE 31 Ca 0.22 -0.31 0.04 0.00 3.53 0.00 0.00 57.97 61.44 1uuj h PHE 31 Cb 0.21 -0.24 -0.06 0.00 2.79 0.00 0.00 35.95 38.65 1uuj h PHE 31 CO 0.01 1.14 0.64 -0.22 -2.23 0.00 0.00 178.31 177.65 1uuj h LYS 32 N 0.78 1.19 -0.17 1.11 3.64 -1.07 0.90 116.57 122.95 1uuj h LYS 32 Ca 0.08 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 1uuj h LYS 32 Cb 0.91 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1uuj h LYS 32 CO 0.08 0.79 -0.13 0.87 -2.27 0.00 0.00 179.45 178.80 1uuj h LYS 33 N 1.23 0.38 -0.31 1.90 1.57 -1.17 -0.63 116.57 119.55 1uuj h LYS 33 Ca 0.39 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.93 1uuj h LYS 33 Cb 0.01 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1uuj h LYS 33 CO -0.12 0.73 -0.04 0.93 -0.57 0.00 0.00 179.45 180.38 1uuj h GLU 34 N 0.04 0.48 -0.02 3.15 5.08 -0.75 -2.25 114.58 120.31 1uuj h GLU 34 Ca 0.03 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1uuj h GLU 34 Cb 0.64 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1uuj h GLU 34 CO 0.03 0.54 -0.07 0.00 -1.00 0.00 0.00 179.01 178.52 1uuj n ALA 35 N -2.48 2.68 -3.87 3.43 0.00 0.27 -4.97 120.51 115.58 1uuj n ALA 35 Ca 0.01 -0.53 -0.30 0.00 0.00 0.00 0.00 53.44 52.62 1uuj n ALA 35 Cb 0.26 -1.03 0.01 0.00 0.00 0.00 0.00 19.45 18.69 1uuj n ALA 35 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1uuj n GLU 36 N 0.39 -2.04 -3.60 0.00 1.02 -0.46 -4.92 120.64 111.03 1uuj n GLU 36 Ca 0.16 0.38 -0.37 0.00 -0.02 0.00 0.00 57.16 57.31 1uuj n GLU 36 Cb 0.43 -4.11 -0.10 0.00 -0.02 0.00 0.00 31.44 27.65 1uuj n GLU 36 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1uuj s LEU 37 N -6.84 4.10 -0.02 -4.62 1.43 -0.37 -5.05 118.68 107.31 1uuj s LEU 37 Ca 0.25 0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.52 1uuj s LEU 37 Cb -0.10 -2.17 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 1uuj s LEU 37 CO 0.89 0.02 -0.07 -1.81 0.23 0.00 0.00 176.35 175.60 1uuj s ASP 38 N 1.21 4.58 0.33 2.29 1.01 -1.26 -4.77 116.67 120.06 1uuj s ASP 38 Ca 0.09 -0.11 -0.18 0.00 0.71 0.00 0.00 52.55 53.06 1uuj s ASP 38 Cb -0.14 -1.08 0.06 0.00 1.01 0.00 0.00 42.92 42.76 1uuj s ASP 38 CO 0.06 0.31 0.84 0.54 0.21 0.00 0.00 175.17 177.14 1uuj s ASN 40 N -1.16 -0.02 0.56 0.27 2.20 -1.26 -5.12 114.94 110.41 1uuj s ASN 40 Ca 0.15 -0.99 0.34 0.00 -0.94 0.00 0.00 52.86 51.42 1uuj s ASN 40 Cb -0.11 0.76 1.51 0.00 -2.00 0.00 0.00 41.25 41.41 1uuj s ASN 40 CO 0.05 -1.50 2.04 1.05 -2.94 0.00 0.00 177.10 175.80 1uuj h GLU 41 N 2.00 0.00 0.12 3.55 4.11 -2.06 -1.80 114.58 120.49 1uuj h GLU 41 Ca -0.30 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.12 1uuj h GLU 41 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1uuj h GLU 41 CO 0.38 0.03 -0.06 1.49 0.07 0.00 0.00 179.01 180.92 1uuj h GLU 42 N 0.00 -0.16 -0.87 1.06 4.57 -2.05 -3.23 114.58 113.92 1uuj h GLU 42 Ca -0.00 0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.22 1uuj h GLU 42 Cb 0.44 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.01 1uuj h GLU 42 CO 0.00 0.29 0.57 1.25 -1.18 0.00 0.00 179.01 179.94 1uuj h LEU 43 N -0.68 0.93 -1.85 1.64 6.46 -1.99 -2.90 115.31 116.92 1uuj h LEU 43 Ca -0.02 -0.01 0.13 0.00 -0.12 0.00 0.00 57.88 57.86 1uuj h LEU 43 Cb 0.52 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.20 1uuj h LEU 43 CO 0.03 0.65 0.37 -0.78 -0.62 0.00 0.00 178.44 178.08 1uuj h ASP 44 N 1.09 0.14 -0.92 1.25 3.58 -1.39 -1.70 116.42 118.47 1uuj h ASP 44 Ca 0.34 0.01 0.17 0.00 0.42 0.00 0.00 57.03 57.97 1uuj h ASP 44 Cb 0.01 -0.02 -0.08 0.00 1.72 0.00 0.00 39.33 40.96 1uuj h ASP 44 CO -0.10 0.08 0.59 0.11 -2.88 0.00 0.00 179.24 177.04 1uuj h LYS 45 N 0.16 0.61 0.00 0.28 1.57 -1.52 0.14 116.57 117.80 1uuj h LYS 45 Ca 0.25 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1uuj h LYS 45 Cb 0.79 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1uuj h LYS 45 CO -0.04 0.40 0.00 0.87 -0.57 0.00 0.00 179.45 180.11 1uuj h LYS 46 N 0.62 0.00 -0.02 3.15 1.57 -1.49 -3.19 116.57 117.22 1uuj h LYS 46 Ca 0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 1uuj h LYS 46 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1uuj h LYS 46 CO -0.23 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.31 1uuj n TYR 47 N -2.57 0.00 -2.08 -1.35 4.01 0.40 -4.92 117.16 110.65 1uuj n TYR 47 Ca 0.02 -0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.33 1uuj n TYR 47 Cb 0.27 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.27 1uuj n TYR 47 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1uuj s ALA 48 N -0.88 3.64 0.00 -0.72 0.00 -0.73 -1.63 121.76 121.44 1uuj s ALA 48 Ca 0.12 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1uuj s ALA 48 Cb 0.09 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1uuj s ALA 48 CO 0.13 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.41 1uuj n GLY 49 N 3.74 0.35 0.26 0.00 0.00 -1.26 -4.90 105.19 103.38 1uuj n GLY 49 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 1uuj n GLY 49 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1uuj h LEU 50 N 0.00 0.96 -0.42 0.99 5.85 -1.64 -1.89 115.31 119.16 1uuj h LEU 50 Ca 0.00 -0.45 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 1uuj h LEU 50 Cb 0.29 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1uuj h LEU 50 CO 0.00 1.21 0.15 0.25 -0.34 0.00 0.00 178.44 179.71 1uuj h LEU 51 N 0.72 0.59 -0.87 2.25 5.85 -1.80 -1.40 115.31 120.66 1uuj h LEU 51 Ca 0.07 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 1uuj h LEU 51 Cb 0.92 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 1uuj h LEU 51 CO 0.08 0.62 0.27 -0.33 -0.34 0.00 0.00 178.44 178.74 1uuj h GLU 52 N 0.54 1.09 -0.01 1.25 5.08 -1.91 -1.29 114.58 119.33 1uuj h GLU 52 Ca 0.14 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1uuj h GLU 52 Cb 0.22 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1uuj h GLU 52 CO -0.01 0.91 0.00 -0.22 -1.00 0.00 0.00 179.01 178.69 1uuj h LYS 53 N 1.06 0.01 -0.54 2.33 3.64 -1.12 -0.71 116.57 121.24 1uuj h LYS 53 Ca 0.24 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1uuj h LYS 53 Cb 0.24 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1uuj h LYS 53 CO -0.02 0.13 0.25 -0.22 -2.27 0.00 0.00 179.45 177.33 1uuj h LYS 54 N -0.11 0.79 -0.11 1.90 1.63 -1.09 -0.05 116.57 119.53 1uuj h LYS 54 Ca 0.00 -0.12 -0.00 0.00 -0.85 0.00 0.00 60.65 59.68 1uuj h LYS 54 Cb 0.13 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 1uuj h LYS 54 CO -0.00 0.65 0.06 2.35 -3.45 0.00 0.00 179.45 179.07 1uuj h TRP 55 N 0.73 0.14 -0.42 1.91 2.91 -1.11 -1.90 115.95 118.21 1uuj h TRP 55 Ca 0.19 0.00 -0.08 0.00 1.13 0.00 0.00 58.89 60.12 1uuj h TRP 55 Cb 0.13 -0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 28.72 1uuj h TRP 55 CO -0.00 0.12 -0.06 1.79 -1.03 0.00 0.00 178.44 179.26 1uuj h THR 56 N 0.11 1.27 -0.65 2.65 1.35 -0.98 -1.10 112.91 115.56 1uuj h THR 56 Ca 0.04 -1.13 0.08 0.00 -0.55 0.00 0.00 66.41 64.85 1uuj h THR 56 Cb 0.02 1.14 -0.06 0.00 -1.73 0.00 0.00 68.15 67.52 1uuj h THR 56 CO -0.01 0.38 0.32 0.28 -0.25 0.00 0.00 175.52 176.25 1uuj h SER 57 N 0.61 0.43 -0.27 5.36 0.02 -0.79 -2.21 113.55 116.70 1uuj h SER 57 Ca 0.11 0.05 -0.19 0.00 -0.84 0.00 0.00 61.79 60.92 1uuj h SER 57 Cb 0.57 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1uuj h SER 57 CO 0.03 0.26 -0.57 0.58 -1.14 0.00 0.00 176.83 175.99 1uuj h VAL 58 N 0.58 1.27 -0.61 2.27 2.07 -1.00 -1.81 116.25 119.03 1uuj h VAL 58 Ca 0.31 -1.75 -0.05 0.00 0.82 0.00 0.00 66.70 66.03 1uuj h VAL 58 Cb 0.29 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1uuj h VAL 58 CO -0.24 0.57 0.18 0.40 0.02 0.00 0.00 177.57 178.50 1uuj h ILE 59 N 0.66 1.23 -0.60 4.57 2.04 -1.07 0.23 117.51 124.57 1uuj h ILE 59 Ca 0.01 -0.82 -0.10 0.00 1.00 0.00 0.00 64.86 64.95 1uuj h ILE 59 Cb 1.19 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 1uuj h ILE 59 CO 0.13 0.31 -0.02 -0.09 0.00 0.00 0.00 178.15 178.48 1uuj h ARG 60 N 0.89 1.08 -0.66 2.37 2.43 -1.20 -0.19 114.38 119.10 1uuj h ARG 60 Ca 0.20 -0.35 -0.08 0.00 -0.81 0.00 0.00 59.98 58.93 1uuj h ARG 60 Cb 0.28 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 1uuj h ARG 60 CO -0.01 1.06 0.10 -0.07 -1.51 0.00 0.00 179.97 179.54 1uuj h LEU 61 N 0.98 1.05 -1.02 3.80 3.38 -0.88 -1.87 115.31 120.74 1uuj h LEU 61 Ca 0.17 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1uuj h LEU 61 Cb 0.59 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1uuj h LEU 61 CO 0.03 1.05 0.06 1.56 0.09 0.00 0.00 178.44 181.23 1uuj h GLN 62 N 1.02 0.76 -0.13 1.13 4.20 0.02 -0.18 115.11 121.94 1uuj h GLN 62 Ca 0.20 -0.18 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 1uuj h GLN 62 Cb 0.45 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1uuj h GLN 62 CO 0.01 0.73 -0.37 0.87 -0.67 0.00 0.00 178.83 179.41 1uuj h LYS 63 N 0.72 0.27 -0.24 1.46 1.57 -0.78 -2.73 116.57 116.85 1uuj h LYS 63 Ca 0.15 -0.12 -0.20 0.00 -1.87 0.00 0.00 60.65 58.61 1uuj h LYS 63 Cb 0.36 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1uuj h LYS 63 CO 0.01 0.61 -0.63 0.87 -0.57 0.00 0.00 179.45 179.74 1uuj h LYS 64 N 0.23 0.84 -0.77 3.15 1.57 -0.57 -1.87 116.57 119.15 1uuj h LYS 64 Ca 0.03 -0.58 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 1uuj h LYS 64 Cb 0.76 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1uuj h LYS 64 CO 0.06 1.21 0.00 0.28 -0.57 0.00 0.00 179.45 180.43 1uuj n VAL 65 N -3.98 0.03 0.00 0.50 0.31 -0.15 -1.36 118.33 113.67 1uuj n VAL 65 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1uuj n VAL 65 Cb 0.67 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 33.38 1uuj n VAL 65 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1uuj n GLU 67 N 0.65 0.00 -0.08 5.55 1.02 -0.71 -0.63 120.64 126.45 1uuj n GLU 67 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 1uuj n GLU 67 Cb 0.02 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.39 1uuj n GLU 67 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1uuj h LEU 68 N 0.00 0.67 -1.24 -4.62 3.38 -1.49 -2.60 115.31 109.41 1uuj h LEU 68 Ca 0.00 -0.50 -0.04 0.00 0.09 0.00 0.00 57.88 57.43 1uuj h LEU 68 Cb 0.00 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1uuj h LEU 68 CO 0.00 1.04 0.12 -0.33 0.09 0.00 0.00 178.44 179.36 1uuj h GLU 69 N 0.32 0.64 -0.30 1.13 4.39 -1.12 -1.60 114.58 118.03 1uuj h GLU 69 Ca 0.03 -0.11 -0.18 0.00 0.34 0.00 0.00 59.36 59.44 1uuj h GLU 69 Cb 0.88 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.42 1uuj h GLU 69 CO 0.07 0.58 -0.53 0.66 -1.16 0.00 0.00 179.01 178.63 1uuj h SER 70 N 0.63 0.98 0.25 1.42 4.64 -1.80 0.67 113.55 120.33 1uuj h SER 70 Ca 0.15 -0.51 -0.11 0.00 -0.47 0.00 0.00 61.79 60.84 1uuj h SER 70 Cb 0.22 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 1uuj h SER 70 CO -0.01 1.31 -0.44 0.11 -0.87 0.00 0.00 176.83 176.94 1uuj h LYS 71 N 0.68 0.25 0.00 4.77 1.57 -1.24 -2.13 116.57 120.46 1uuj h LYS 71 Ca 0.02 -0.13 -0.17 0.00 -1.87 0.00 0.00 60.65 58.50 1uuj h LYS 71 Cb 1.14 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 1uuj h LYS 71 CO 0.12 0.65 -0.82 1.25 -0.57 0.00 0.00 179.45 180.08 1uuj h LEU 72 N 0.20 0.00 -0.13 2.94 5.85 -0.97 -2.94 115.31 120.27 1uuj h LEU 72 Ca 0.01 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.54 1uuj h LEU 72 Cb 0.87 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.91 1uuj h LEU 72 CO 0.07 0.82 -0.67 0.78 -0.34 0.00 0.00 178.44 179.10 1uuj h ASN 73 N 0.00 0.81 0.67 1.25 -0.26 0.61 -2.95 115.58 115.71 1uuj h ASN 73 Ca -0.01 -0.64 -0.11 0.00 -0.56 0.00 0.00 56.30 54.99 1uuj h ASN 73 Cb 1.53 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 38.54 1uuj h ASN 73 CO 0.11 1.32 -0.50 1.05 -1.06 0.00 0.00 177.43 178.34 1uuj h GLU 74 N 0.35 0.00 0.00 0.81 4.11 -1.50 -3.50 114.58 114.85 1uuj h GLU 74 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1uuj h GLU 74 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1uuj h GLU 74 CO 0.14 0.50 0.00 0.00 0.07 0.00 0.00 179.01 179.72