#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 4.28 0.96 7.52 1.43 -1.26 -5.05 118.68 126.56 1uuj s LEU 3 Ca 0.00 1.83 -0.11 0.00 -1.03 0.00 0.00 54.13 54.82 1uuj s LEU 3 Cb 0.00 -4.09 0.17 0.00 0.03 0.00 0.00 46.19 42.30 1uuj s LEU 3 CO 0.00 -0.12 1.10 -0.94 0.23 0.00 0.00 176.35 176.62 1uuj s SER 4 N -1.69 2.67 0.33 2.29 1.04 -1.26 -4.76 113.70 112.32 1uuj s SER 4 Ca 0.52 1.85 0.02 0.00 0.48 0.00 0.00 55.95 58.81 1uuj s SER 4 Cb -0.17 -2.42 0.59 0.00 0.10 0.00 0.00 66.02 64.11 1uuj s SER 4 CO 0.23 -3.20 1.97 -0.61 0.98 0.00 0.00 173.24 172.60 1uuj h GLN 5 N -1.94 0.91 0.01 4.02 4.15 -1.98 0.90 115.11 121.18 1uuj h GLN 5 Ca -0.49 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 58.89 1uuj h GLN 5 Cb 1.28 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 28.75 1uuj h GLN 5 CO 0.47 0.60 -0.11 -0.09 -1.93 0.00 0.00 178.83 177.78 1uuj h ARG 6 N 0.94 -0.18 -0.73 1.69 2.43 -1.99 0.15 114.38 116.69 1uuj h ARG 6 Ca 0.30 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.42 1uuj h ARG 6 Cb 0.03 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 1uuj h ARG 6 CO -0.08 -0.12 0.22 1.96 -1.51 0.00 0.00 179.97 180.44 1uuj h GLN 7 N -0.19 1.15 -0.47 0.20 4.20 -1.82 -1.45 115.11 116.72 1uuj h GLN 7 Ca 0.04 -0.25 -0.11 0.00 0.06 0.00 0.00 58.65 58.39 1uuj h GLN 7 Cb 0.23 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1uuj h GLN 7 CO -0.10 0.98 -0.12 -0.09 -0.67 0.00 0.00 178.83 178.83 1uuj h ARG 8 N 1.09 0.91 -0.30 1.46 2.43 -0.61 -0.17 114.38 119.21 1uuj h ARG 8 Ca 0.24 -0.35 -0.11 0.00 -0.81 0.00 0.00 59.98 58.94 1uuj h ARG 8 Cb 0.32 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1uuj h ARG 8 CO -0.01 1.00 -0.29 -0.44 -1.51 0.00 0.00 179.97 178.73 1uuj h ASP 9 N 0.76 0.63 -0.17 -3.80 3.32 -0.83 0.21 116.42 116.54 1uuj h ASP 9 Ca 0.12 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 1uuj h ASP 9 Cb 0.67 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1uuj h ASP 9 CO 0.05 0.89 -0.01 -0.33 -1.72 0.00 0.00 179.24 178.11 1uuj h GLU 10 N 0.53 0.30 -0.43 3.56 5.08 -1.10 -1.65 114.58 120.87 1uuj h GLU 10 Ca 0.07 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1uuj h GLU 10 Cb 0.77 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 1uuj h GLU 10 CO 0.06 0.54 0.23 1.25 -1.00 0.00 0.00 179.01 180.08 1uuj h LEU 11 N 0.04 0.34 -0.84 1.33 5.85 -0.92 -1.31 115.31 119.79 1uuj h LEU 11 Ca 0.05 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1uuj h LEU 11 Cb 0.41 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1uuj h LEU 11 CO 0.01 0.24 0.22 0.78 -0.34 0.00 0.00 178.44 179.35 1uuj h ASN 12 N 0.45 1.01 -0.66 1.25 2.35 -0.91 0.42 115.58 119.49 1uuj h ASN 12 Ca 0.18 -0.18 0.03 0.00 -0.55 0.00 0.00 56.30 55.78 1uuj h ASN 12 Cb 0.07 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.14 1uuj h ASN 12 CO -0.12 0.94 0.41 -0.09 -1.65 0.00 0.00 177.43 176.92 1uuj h ARG 13 N 1.04 0.79 -0.86 0.81 2.43 -0.93 0.92 114.38 118.57 1uuj h ARG 13 Ca 0.23 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 1uuj h ARG 13 Cb 0.29 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 1uuj h ARG 13 CO -0.01 0.52 0.47 0.00 -1.51 0.00 0.00 179.97 179.45 1uuj h ALA 14 N 1.28 1.22 -0.24 2.80 0.00 -0.60 -0.90 119.26 122.82 1uuj h ALA 14 Ca 0.27 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1uuj h ALA 14 Cb 0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1uuj h ALA 14 CO -0.10 0.64 -0.10 0.82 0.00 0.00 0.00 179.25 180.50 1uuj h ILE 15 N 1.20 1.30 -0.49 0.00 2.04 -0.42 -1.65 117.51 119.48 1uuj h ILE 15 Ca 0.30 -1.16 -0.02 0.00 1.00 0.00 0.00 64.86 64.99 1uuj h ILE 15 Cb 0.02 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1uuj h ILE 15 CO -0.05 0.36 0.25 0.00 0.00 0.00 0.00 178.15 178.71 1uuj h ALA 16 N 0.73 0.63 -0.07 1.87 0.00 -0.55 -0.61 119.26 121.26 1uuj h ALA 16 Ca 0.06 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1uuj h ALA 16 Cb 0.59 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1uuj h ALA 16 CO 0.03 0.18 -0.31 -0.44 0.00 0.00 0.00 179.25 178.71 1uuj h ASP 17 N 0.65 0.14 -0.18 0.00 3.32 -1.12 -1.03 116.42 118.20 1uuj h ASP 17 Ca 0.17 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1uuj h ASP 17 Cb 0.10 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1uuj h ASP 17 CO -0.02 0.45 0.05 0.22 -1.72 0.00 0.00 179.24 178.22 1uuj h TYR 18 N 0.12 0.29 -0.16 4.55 3.20 -0.87 -1.33 116.97 122.77 1uuj h TYR 18 Ca 0.02 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.87 1uuj h TYR 18 Cb 0.62 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1uuj h TYR 18 CO 0.01 0.38 0.06 -0.07 -1.64 0.00 0.00 178.16 176.90 1uuj h LEU 19 N 0.11 0.09 0.07 2.82 3.38 -0.60 -1.44 115.31 119.73 1uuj h LEU 19 Ca 0.06 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1uuj h LEU 19 Cb 0.23 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1uuj h LEU 19 CO -0.00 0.07 -0.03 -0.09 0.09 0.00 0.00 178.44 178.48 1uuj h ARG 20 N 0.15 -0.09 0.00 1.13 2.43 -1.17 -0.10 114.38 116.73 1uuj h ARG 20 Ca 0.06 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1uuj h ARG 20 Cb 0.03 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1uuj h ARG 20 CO -0.06 0.05 -0.06 0.66 -1.51 0.00 0.00 179.97 179.05 1uuj h SER 21 N -0.21 0.00 -0.64 -3.80 4.64 -1.15 -3.03 113.55 109.36 1uuj h SER 21 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1uuj h SER 21 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1uuj h SER 21 CO 0.02 0.06 0.00 0.59 -0.87 0.00 0.00 176.83 176.63 1uuj n ASN 22 N -3.26 3.72 0.00 4.97 3.02 -0.55 -4.95 115.26 118.20 1uuj n ASN 22 Ca -0.01 -2.00 0.00 0.00 -0.03 0.00 0.00 54.58 52.55 1uuj n ASN 22 Cb 0.27 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 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 1.40 0.75 2.95 7.41 0.00 -1.10 -5.00 105.19 111.61 1uuj n GLY 23 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.38 2.70 0.09 1.61 4.01 -0.07 -4.81 117.16 118.31 1uuj n TYR 24 Ca 0.00 -2.72 -0.07 0.00 -0.16 0.00 0.00 57.90 54.94 1uuj n TYR 24 Cb 0.00 -1.63 0.02 0.00 -0.31 0.00 0.00 39.34 37.42 1uuj n TYR 24 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1uuj h GLU 25 N 5.64 0.18 -0.24 -0.72 4.39 -1.89 -0.90 114.58 121.04 1uuj h GLU 25 Ca 0.30 -0.18 -0.17 0.00 0.34 0.00 0.00 59.36 59.65 1uuj h GLU 25 Cb 0.63 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1uuj h GLU 25 CO 1.47 0.90 -0.52 1.49 -1.16 0.00 0.00 179.01 181.20 1uuj h GLU 26 N 0.10 0.78 -0.87 2.33 4.81 -1.96 -1.65 114.58 118.13 1uuj h GLU 26 Ca -0.03 -0.51 0.09 0.00 -0.13 0.00 0.00 59.36 58.77 1uuj h GLU 26 Cb 1.43 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 30.81 1uuj h GLU 26 CO 0.12 1.14 0.52 0.00 -0.73 0.00 0.00 179.01 180.06 1uuj h ALA 27 N 0.63 1.23 -0.18 2.92 0.00 -1.95 -1.55 119.26 120.36 1uuj h ALA 27 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1uuj h ALA 27 Cb 1.13 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1uuj h ALA 27 CO 0.11 0.19 0.11 -0.92 0.00 0.00 0.00 179.25 178.75 1uuj h TYR 28 N 0.89 0.23 -0.29 0.00 3.20 -1.00 -0.06 116.97 119.95 1uuj h TYR 28 Ca 0.40 0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.33 1uuj h TYR 28 Cb 0.31 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.45 1uuj h TYR 28 CO -0.04 0.17 -0.02 0.77 -1.64 0.00 0.00 178.16 177.39 1uuj h SER 29 N 0.22 -0.17 -0.20 -2.11 0.02 -0.89 0.13 113.55 110.56 1uuj h SER 29 Ca 0.06 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1uuj h SER 29 Cb 0.00 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1uuj h SER 29 CO -0.01 -0.05 0.08 0.58 -1.14 0.00 0.00 176.83 176.28 1uuj h VAL 30 N 0.06 1.17 -0.31 2.27 2.07 -1.17 -3.05 116.25 117.27 1uuj h VAL 30 Ca 0.14 -0.50 -0.16 0.00 0.82 0.00 0.00 66.70 66.99 1uuj h VAL 30 Cb 0.19 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1uuj h VAL 30 CO -0.25 0.16 -0.44 0.15 0.02 0.00 0.00 177.57 177.21 1uuj h PHE 31 N 0.16 0.98 -0.56 1.57 3.57 -0.81 -1.44 116.94 120.41 1uuj h PHE 31 Ca 0.07 -0.31 -0.01 0.00 3.53 0.00 0.00 57.97 61.25 1uuj h PHE 31 Cb 0.18 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 1uuj h PHE 31 CO -0.01 1.10 0.32 1.57 -2.23 0.00 0.00 178.31 179.05 1uuj h LYS 32 N 0.65 0.76 -0.07 1.11 2.10 -0.98 0.16 116.57 120.30 1uuj h LYS 32 Ca 0.04 -0.07 -0.18 0.00 -2.00 0.00 0.00 60.65 58.45 1uuj h LYS 32 Cb 1.01 -0.16 0.01 0.00 -0.90 0.00 0.00 32.23 32.19 1uuj h LYS 32 CO 0.10 0.56 -0.64 -0.22 -2.00 0.00 0.00 179.45 177.24 1uuj h LYS 33 N 0.78 0.56 -0.73 0.07 1.63 -1.37 -0.15 116.57 117.35 1uuj h LYS 33 Ca 0.20 -0.51 0.02 0.00 -0.85 0.00 0.00 60.65 59.51 1uuj h LYS 33 Cb 0.00 0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 31.72 1uuj h LYS 33 CO -0.03 1.13 0.49 0.93 -3.45 0.00 0.00 179.45 178.51 1uuj h GLU 34 N 0.15 0.92 -0.01 1.90 5.08 -0.71 -1.98 114.58 119.93 1uuj h GLU 34 Ca -0.06 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1uuj h GLU 34 Cb 1.31 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1uuj h GLU 34 CO 0.13 0.61 -0.10 0.00 -1.00 0.00 0.00 179.01 178.65 1uuj n ALA 35 N -2.43 2.77 -3.69 3.43 0.00 0.52 -4.95 120.51 116.15 1uuj n ALA 35 Ca 0.09 -0.41 -0.23 0.00 0.00 0.00 0.00 53.44 52.89 1uuj n ALA 35 Cb 0.07 -1.18 0.05 0.00 0.00 0.00 0.00 19.45 18.39 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 -0.24 -5.81 -3.76 0.00 1.02 -0.71 -4.98 120.64 106.16 1uuj n GLU 36 Ca 0.17 0.68 -0.36 0.00 -0.02 0.00 0.00 57.16 57.63 1uuj n GLU 36 Cb 0.34 -5.48 -0.07 0.00 -0.02 0.00 0.00 31.44 26.20 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 -6.87 4.28 0.00 -4.62 1.43 -0.15 -5.04 118.68 107.71 1uuj s LEU 37 Ca 0.25 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.70 1uuj s LEU 37 Cb -0.12 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 43.98 1uuj s LEU 37 CO 0.79 0.25 0.00 0.47 0.23 0.00 0.00 176.35 178.09 1uuj n ASP 38 N 3.00 0.00 0.00 2.29 8.00 -1.26 -4.69 116.55 123.88 1uuj n ASP 38 Ca -0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.33 1uuj n ASP 38 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 1uuj n ASP 38 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1uuj n ASN 40 N 0.00 0.00 -0.23 -2.24 5.15 -1.26 -5.10 115.26 111.58 1uuj n ASN 40 Ca 0.00 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 53.97 1uuj n ASN 40 Cb 0.00 0.00 0.20 0.00 -0.53 0.00 0.00 39.78 39.45 1uuj n ASN 40 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1uuj h GLU 41 N 0.00 1.03 -0.96 1.20 4.57 -2.05 0.10 114.58 118.47 1uuj h GLU 41 Ca 0.00 -0.10 0.10 0.00 -1.18 0.00 0.00 59.36 58.18 1uuj h GLU 41 Cb 0.00 -0.21 -0.07 0.00 -0.16 0.00 0.00 28.75 28.31 1uuj h GLU 41 CO 0.00 0.74 0.61 0.93 -1.18 0.00 0.00 179.01 180.11 1uuj h GLU 42 N 1.04 0.95 0.17 1.92 5.08 -2.03 -1.69 114.58 120.02 1uuj h GLU 42 Ca 0.27 -0.06 -0.35 0.00 -1.00 0.00 0.00 59.36 58.22 1uuj h GLU 42 Cb -0.01 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.03 1uuj h GLU 42 CO -0.05 0.63 -1.77 1.25 -1.00 0.00 0.00 179.01 178.08 1uuj h LEU 43 N 0.98 0.57 -1.56 1.33 5.85 -1.72 -3.39 115.31 117.38 1uuj h LEU 43 Ca 0.45 -0.90 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 1uuj h LEU 43 Cb 0.40 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1uuj h LEU 43 CO -0.21 1.76 -0.01 0.44 -0.34 0.00 0.00 178.44 180.08 1uuj h ASP 44 N 0.10 0.24 0.10 1.25 3.32 -0.75 -1.68 116.42 119.00 1uuj h ASP 44 Ca -0.35 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 56.61 1uuj h ASP 44 Cb 2.09 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 41.56 1uuj h ASP 44 CO 0.17 0.30 -0.20 0.07 -1.72 0.00 0.00 179.24 177.86 1uuj h LYS 45 N 0.26 0.20 0.00 3.56 2.10 -1.50 -1.46 116.57 119.73 1uuj h LYS 45 Ca 0.06 -0.06 -0.15 0.00 -2.00 0.00 0.00 60.65 58.51 1uuj h LYS 45 Cb 0.20 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.49 1uuj h LYS 45 CO 0.01 0.40 -0.72 0.87 -2.00 0.00 0.00 179.45 178.01 1uuj h LYS 46 N 0.19 0.00 0.00 0.07 1.57 -1.52 -3.19 116.57 113.69 1uuj h LYS 46 Ca 0.03 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 1uuj h LYS 46 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1uuj h LYS 46 CO 0.03 0.72 -0.62 1.88 -0.57 0.00 0.00 179.45 180.88 1uuj h TYR 47 N 0.00 0.00 -0.92 -1.35 -1.99 -1.08 -3.41 116.97 108.22 1uuj h TYR 47 Ca -0.01 0.00 0.25 0.00 2.00 0.00 0.00 58.73 60.97 1uuj h TYR 47 Cb 1.39 0.00 -0.13 0.00 2.00 0.00 0.00 36.73 39.98 1uuj h TYR 47 CO 0.00 0.34 0.40 0.00 -0.00 0.00 0.00 178.16 178.90 1uuj h ALA 48 N 1.66 1.52 -0.31 3.88 0.00 -1.26 -1.79 119.26 122.96 1uuj h ALA 48 Ca -0.03 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1uuj h ALA 48 Cb 1.29 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1uuj h ALA 48 CO 0.04 -0.41 0.00 0.41 0.00 0.00 0.00 179.25 179.29 1uuj n GLY 49 N -1.34 1.55 0.07 0.00 0.00 -1.26 -3.82 105.19 100.39 1uuj n GLY 49 Ca 0.24 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 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 4.10 0.09 -0.58 0.99 5.85 -1.54 0.44 115.31 124.67 1uuj h LEU 50 Ca 0.00 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.51 1uuj h LEU 50 Cb 0.92 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.89 1uuj h LEU 50 CO 0.00 0.30 0.35 0.25 -0.34 0.00 0.00 178.44 179.00 1uuj h LEU 51 N -0.12 0.57 -0.44 2.25 5.85 -1.82 0.61 115.31 122.21 1uuj h LEU 51 Ca 0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1uuj h LEU 51 Cb 0.25 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1uuj h LEU 51 CO 0.00 0.40 0.25 -0.33 -0.34 0.00 0.00 178.44 178.42 1uuj h GLU 52 N 0.69 0.60 -0.33 1.25 5.08 -1.87 -0.33 114.58 119.68 1uuj h GLU 52 Ca 0.23 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.48 1uuj h GLU 52 Cb 0.03 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1uuj h GLU 52 CO -0.10 0.47 0.02 -0.22 -1.00 0.00 0.00 179.01 178.18 1uuj h LYS 53 N 0.58 0.56 0.06 2.33 3.64 -0.62 -1.65 116.57 121.47 1uuj h LYS 53 Ca 0.16 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1uuj h LYS 53 Cb 0.03 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1uuj h LYS 53 CO -0.03 0.68 -0.05 -0.22 -2.27 0.00 0.00 179.45 177.55 1uuj h LYS 54 N 0.37 -0.12 -0.16 1.90 3.64 -0.71 -0.22 116.57 121.28 1uuj h LYS 54 Ca 0.10 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.53 1uuj h LYS 54 Cb 0.41 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.21 1uuj h LYS 54 CO 0.01 -0.08 -0.15 2.35 -2.27 0.00 0.00 179.45 179.31 1uuj h TRP 55 N -0.13 -0.38 -0.15 1.91 2.91 -0.99 -0.33 115.95 118.80 1uuj h TRP 55 Ca 0.00 0.02 -0.18 0.00 1.13 0.00 0.00 58.89 59.87 1uuj h TRP 55 Cb 0.12 0.19 -0.00 0.00 -0.51 0.00 0.00 29.16 28.96 1uuj h TRP 55 CO -0.09 -0.22 -0.64 1.79 -1.03 0.00 0.00 178.44 178.25 1uuj h THR 56 N -0.17 1.33 -0.67 2.65 1.35 -1.14 -1.27 112.91 114.99 1uuj h THR 56 Ca 0.10 -1.93 0.05 0.00 -0.55 0.00 0.00 66.41 64.08 1uuj h THR 56 Cb 0.32 1.90 -0.05 0.00 -1.73 0.00 0.00 68.15 68.59 1uuj h THR 56 CO -0.26 0.60 0.39 0.28 -0.25 0.00 0.00 175.52 176.28 1uuj h SER 57 N 0.41 0.61 0.07 5.36 0.02 -0.71 -1.55 113.55 117.76 1uuj h SER 57 Ca -0.01 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1uuj h SER 57 Cb 1.21 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1uuj h SER 57 CO 0.12 0.40 -0.03 0.58 -1.14 0.00 0.00 176.83 176.76 1uuj h VAL 58 N 0.74 1.12 -0.90 2.27 2.07 -0.88 -1.20 116.25 119.47 1uuj h VAL 58 Ca 0.29 -0.67 0.08 0.00 0.82 0.00 0.00 66.70 67.22 1uuj h VAL 58 Cb 0.12 1.55 -0.07 0.00 -1.52 0.00 0.00 31.29 31.38 1uuj h VAL 58 CO -0.15 0.17 0.56 0.40 0.02 0.00 0.00 177.57 178.56 1uuj h ILE 59 N -0.39 1.01 -0.40 4.57 2.04 -1.11 0.76 117.51 123.99 1uuj h ILE 59 Ca -0.01 -0.34 0.02 0.00 1.00 0.00 0.00 64.86 65.54 1uuj h ILE 59 Cb 0.34 -0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.34 1uuj h ILE 59 CO 0.02 0.18 0.22 -0.09 0.00 0.00 0.00 178.15 178.47 1uuj h ARG 60 N 0.98 0.43 -0.58 2.37 2.43 -1.18 -1.07 114.38 117.75 1uuj h ARG 60 Ca 0.41 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.46 1uuj h ARG 60 Cb 0.25 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1uuj h ARG 60 CO -0.20 0.28 -0.02 -0.07 -1.51 0.00 0.00 179.97 178.46 1uuj h LEU 61 N 0.44 1.00 -1.08 3.80 3.38 -0.73 -2.21 115.31 119.91 1uuj h LEU 61 Ca 0.16 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1uuj h LEU 61 Cb 0.04 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 1uuj h LEU 61 CO -0.09 1.06 0.57 1.56 0.09 0.00 0.00 178.44 181.63 1uuj h GLN 62 N 0.93 1.19 -0.62 1.13 4.20 -0.58 0.27 115.11 121.63 1uuj h GLN 62 Ca 0.16 -0.09 -0.10 0.00 0.06 0.00 0.00 58.65 58.69 1uuj h GLN 62 Cb 0.56 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 1uuj h GLN 62 CO 0.03 0.81 0.01 0.87 -0.67 0.00 0.00 178.83 179.87 1uuj h LYS 63 N 1.22 1.09 -0.30 1.46 1.57 -0.99 -2.89 116.57 117.73 1uuj h LYS 63 Ca 0.32 -0.34 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1uuj h LYS 63 Cb -0.11 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1uuj h LYS 63 CO -0.07 1.05 -0.08 -0.22 -0.57 0.00 0.00 179.45 179.57 1uuj h LYS 64 N 0.99 0.58 -1.37 3.15 3.64 -0.97 -1.74 116.57 120.86 1uuj h LYS 64 Ca 0.18 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1uuj h LYS 64 Cb 0.56 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1uuj h LYS 64 CO 0.03 0.78 0.00 0.28 -2.27 0.00 0.00 179.45 178.27 1uuj n VAL 65 N -4.47 0.00 0.00 2.00 0.31 0.04 -1.44 118.33 114.77 1uuj n VAL 65 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1uuj n VAL 65 Cb 0.32 -0.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 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 0.83 0.00 -0.21 5.55 1.02 -0.66 -0.67 120.64 126.51 1uuj n GLU 67 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 1uuj n GLU 67 Cb 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 31.44 31.52 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 0.97 -0.57 -4.62 3.38 -1.52 -1.89 115.31 111.06 1uuj h LEU 68 Ca 0.00 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 1uuj h LEU 68 Cb 0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1uuj h LEU 68 CO 0.00 0.94 -0.02 -0.33 0.09 0.00 0.00 178.44 179.11 1uuj h GLU 69 N 0.97 1.02 -0.39 1.13 5.08 -1.14 -0.61 114.58 120.63 1uuj h GLU 69 Ca 0.20 -0.34 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1uuj h GLU 69 Cb 0.36 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 1uuj h GLU 69 CO 0.00 1.02 0.23 1.03 -1.00 0.00 0.00 179.01 180.30 1uuj h SER 70 N 0.91 0.38 -0.83 1.42 0.87 -1.76 0.09 113.55 114.63 1uuj h SER 70 Ca 0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1uuj h SER 70 Cb 0.58 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.42 1uuj h SER 70 CO 0.03 0.28 0.52 0.11 -0.53 0.00 0.00 176.83 177.24 1uuj h LYS 71 N 0.48 1.11 -0.17 2.24 1.57 -1.13 -1.70 116.57 118.96 1uuj h LYS 71 Ca 0.15 -0.09 -0.13 0.00 -1.87 0.00 0.00 60.65 58.72 1uuj h LYS 71 Cb -0.00 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 1uuj h LYS 71 CO -0.07 0.76 -0.46 1.25 -0.57 0.00 0.00 179.45 180.36 1uuj h LEU 72 N 1.13 0.46 -0.80 2.94 5.85 -0.85 -1.57 115.31 122.47 1uuj h LEU 72 Ca 0.30 -0.22 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 1uuj h LEU 72 Cb -0.08 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 1uuj h LEU 72 CO -0.06 0.85 -0.34 0.78 -0.34 0.00 0.00 178.44 179.34 1uuj h ASN 73 N 0.34 0.53 -0.44 1.25 -0.26 -0.78 -0.96 115.58 115.25 1uuj h ASN 73 Ca 0.02 -0.21 -0.01 0.00 -0.56 0.00 0.00 56.30 55.54 1uuj h ASN 73 Cb 0.94 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 38.04 1uuj h ASN 73 CO 0.08 0.83 0.24 1.05 -1.06 0.00 0.00 177.43 178.57 1uuj h GLU 74 N 0.43 0.62 -0.28 0.81 -0.00 -1.03 -0.65 114.58 114.48 1uuj h GLU 74 Ca 0.05 -0.08 0.04 0.00 -0.00 0.00 0.00 59.36 59.37 1uuj h GLU 74 Cb 0.80 -0.12 -0.04 0.00 -0.00 0.00 0.00 28.75 29.39 1uuj h GLU 74 CO 0.06 0.50 0.05 0.00 -0.00 0.00 0.00 179.01 179.62 1uuj h ALA 75 N 1.09 0.29 -0.22 1.06 0.00 -1.09 -0.47 119.26 119.91 1uuj h ALA 75 Ca 0.16 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1uuj h ALA 75 Cb 0.06 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1uuj h ALA 75 CO -0.02 -0.36 -0.25 0.87 0.00 0.00 0.00 179.25 179.48 1uuj h LYS 76 N 0.15 0.42 0.00 0.00 1.57 -0.84 -2.03 116.57 115.85 1uuj h LYS 76 Ca 0.13 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 1uuj h LYS 76 Cb 0.14 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1uuj h LYS 76 CO -0.18 0.64 -0.28 0.93 -0.57 0.00 0.00 179.45 179.99 1uuj h GLU 77 N 0.37 0.00 -0.28 3.15 5.08 -0.73 -2.97 114.58 119.21 1uuj h GLU 77 Ca 0.06 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 1uuj h GLU 77 Cb 0.65 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1uuj h GLU 77 CO 0.05 0.28 -0.25 0.93 -1.00 0.00 0.00 179.01 179.01 1uuj h GLU 78 N 0.00 0.67 -0.03 2.33 5.08 -0.37 -3.51 114.58 118.75 1uuj h GLU 78 Ca -0.00 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1uuj h GLU 78 Cb 0.66 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1uuj h GLU 78 CO 0.04 0.95 0.00 1.19 -1.00 0.00 0.00 179.01 180.19