#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2juj n THR 2 N 0.00 0.00 -1.19 0.00 5.66 -1.26 -5.04 114.28 112.46 2juj n THR 2 Ca 0.00 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.93 2juj n THR 2 Cb 0.00 0.75 -0.03 0.00 -1.55 0.00 0.00 70.33 69.50 2juj n THR 2 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2juj n ALA 3 N 0.00 -0.10 -2.07 1.79 0.00 -1.26 -4.97 120.51 113.91 2juj n ALA 3 Ca 0.00 0.11 -0.39 0.00 0.00 0.00 0.00 53.44 53.15 2juj n ALA 3 Cb 0.01 -1.42 -0.06 0.00 0.00 0.00 0.00 19.45 17.98 2juj n ALA 3 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2juj s SER 4 N -2.32 7.30 0.56 0.00 1.04 -1.26 -4.96 113.70 114.06 2juj s SER 4 Ca 0.00 1.54 0.25 0.00 0.48 0.00 0.00 55.95 58.21 2juj s SER 4 Cb 0.00 -2.46 1.60 0.00 0.10 0.00 0.00 66.02 65.26 2juj s SER 4 CO 0.00 0.23 2.19 -0.65 0.98 0.00 0.00 173.24 175.99 2juj h PRO 5 N 4.40 0.00 -0.05 4.02 0.11 -1.98 -1.14 132.00 137.36 2juj h PRO 5 Ca -0.48 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.40 2juj h PRO 5 Cb 1.21 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.33 2juj h PRO 5 CO 0.65 0.00 -0.90 1.96 -0.21 0.00 0.00 178.00 179.51 2juj h GLN 6 N 0.00 0.60 -0.26 1.05 1.08 -1.97 0.15 115.11 115.75 2juj h GLN 6 Ca 0.02 -0.57 -0.01 0.00 -1.45 0.00 0.00 58.65 56.64 2juj h GLN 6 Cb 0.09 0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 2juj h GLN 6 CO -0.00 1.19 0.14 1.25 -0.95 0.00 0.00 178.83 180.46 2juj h LEU 7 N 0.37 0.33 -1.41 1.46 7.12 -1.70 -1.14 115.31 120.34 2juj h LEU 7 Ca -0.08 -0.10 0.06 0.00 0.13 0.00 0.00 57.88 57.90 2juj h LEU 7 Cb 1.52 -0.09 -0.04 0.00 -0.53 0.00 0.00 40.66 41.53 2juj h LEU 7 CO 0.17 0.34 0.46 -1.28 -0.13 0.00 0.00 178.44 178.00 2juj h SER 8 N 0.31 0.63 0.07 1.25 0.87 -1.15 -0.59 113.55 114.95 2juj h SER 8 Ca 0.09 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.62 2juj h SER 8 Cb 0.08 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 2juj h SER 8 CO -0.01 0.41 -0.12 0.28 -0.53 0.00 0.00 176.83 176.85 2juj h SER 9 N 0.72 0.11 -0.11 6.23 0.02 0.28 -0.62 113.55 120.18 2juj h SER 9 Ca 0.30 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.23 2juj h SER 9 Cb 0.27 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 2juj h SER 9 CO -0.10 0.25 0.06 -0.33 -1.14 0.00 0.00 176.83 175.58 2juj h GLU 10 N 0.12 0.15 -0.33 3.45 4.39 0.07 0.17 114.58 122.60 2juj h GLU 10 Ca 0.03 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.76 2juj h GLU 10 Cb 0.29 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.87 2juj h GLU 10 CO 0.02 0.16 0.04 0.82 -1.16 0.00 0.00 179.01 178.89 2juj h ILE 11 N 0.10 0.80 0.00 3.13 5.03 -1.31 -1.48 117.51 123.79 2juj h ILE 11 Ca 0.04 -0.05 -0.00 0.00 -0.12 0.00 0.00 64.86 64.73 2juj h ILE 11 Cb 0.05 0.65 -0.00 0.00 -3.03 0.00 0.00 36.82 34.49 2juj h ILE 11 CO -0.01 0.03 -0.02 -0.33 -0.68 0.00 0.00 178.15 177.14 2juj h GLU 12 N 0.14 0.00 0.15 2.37 5.08 -0.62 0.85 114.58 122.54 2juj h GLU 12 Ca 0.16 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 2juj h GLU 12 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2juj h GLU 12 CO -0.23 0.02 -0.07 -0.97 -1.00 0.00 0.00 179.01 176.76 2juj h ASN 13 N 0.00 -0.17 1.40 1.42 -0.73 0.43 0.52 115.58 118.45 2juj h ASN 13 Ca -0.00 -0.04 -0.08 0.00 1.87 0.00 0.00 56.30 58.04 2juj h ASN 13 Cb 0.05 0.04 -0.01 0.00 0.27 0.00 0.00 38.32 38.67 2juj h ASN 13 CO 0.00 -0.07 -0.62 0.17 -0.37 0.00 0.00 177.43 176.55 2juj h LEU 14 N -0.25 0.00 -0.50 0.34 -0.00 -1.41 -3.23 115.31 110.25 2juj h LEU 14 Ca -0.02 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.91 2juj h LEU 14 Cb 0.20 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.82 2juj h LEU 14 CO 0.03 0.36 0.24 0.24 -0.00 0.00 0.00 178.44 179.32 2juj h MET 15 N 0.00 0.46 0.00 0.17 2.86 -0.69 -1.53 114.93 116.20 2juj h MET 15 Ca -0.03 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2juj h MET 15 Cb 1.30 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.86 2juj h MET 15 CO 0.04 0.30 0.00 0.45 1.06 0.00 0.00 176.91 178.77 2juj n SER 16 N -4.90 0.42 0.13 1.22 2.88 0.16 -0.79 113.62 112.73 2juj n SER 16 Ca 0.04 0.63 0.13 0.00 -1.33 0.00 0.00 58.87 58.34 2juj n SER 16 Cb 0.14 -0.71 0.35 0.00 -0.75 0.00 0.00 64.21 63.24 2juj n SER 16 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2juj h GLN 17 N 0.00 0.00 0.00 -1.46 4.20 -1.36 -3.47 115.11 113.03 2juj h GLN 17 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2juj h GLN 17 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 2juj h GLN 17 CO 0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 2juj n GLY 18 N 1.27 0.90 3.52 3.46 0.00 0.03 -4.99 105.19 109.37 2juj n GLY 18 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 2juj n GLY 18 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2juj s TYR 19 N -2.00 1.35 -0.17 1.61 2.02 -1.22 -4.71 117.35 114.22 2juj s TYR 19 Ca 0.00 1.02 -0.05 0.00 -0.37 0.00 0.00 57.07 57.67 2juj s TYR 19 Cb 0.00 -3.14 -0.03 0.00 -0.40 0.00 0.00 41.96 38.39 2juj s TYR 19 CO 0.00 -3.77 0.01 -1.12 -1.57 0.00 0.00 175.55 169.10 2juj s SER 20 N -2.88 5.13 0.44 2.29 0.01 -1.26 -4.82 113.70 112.61 2juj s SER 20 Ca 0.68 -0.06 0.15 0.00 1.31 0.00 0.00 55.95 58.03 2juj s SER 20 Cb -0.22 -1.86 1.06 0.00 0.21 0.00 0.00 66.02 65.21 2juj s SER 20 CO 0.62 0.16 1.96 0.10 0.41 0.00 0.00 173.24 176.49 2juj h TYR 21 N 6.81 0.43 0.02 2.43 -0.00 -1.97 0.13 116.97 124.81 2juj h TYR 21 Ca -0.34 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.40 2juj h TYR 21 Cb 1.18 -0.14 -0.00 0.00 -0.00 0.00 0.00 36.73 37.77 2juj h TYR 21 CO 0.55 0.19 -0.02 -0.56 -0.00 0.00 0.00 178.16 178.32 2juj h GLN 22 N 0.39 -0.05 0.00 0.10 3.07 -1.99 -0.32 115.11 116.31 2juj h GLN 22 Ca 0.30 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.97 2juj h GLN 22 Cb 0.66 0.01 -0.01 0.00 0.08 0.00 0.00 27.48 28.22 2juj h GLN 22 CO -0.09 -0.03 -0.55 -0.44 0.09 0.00 0.00 178.83 177.81 2juj h ASP 23 N -0.05 0.00 -0.01 0.06 5.19 -1.85 -2.97 116.42 116.79 2juj h ASP 23 Ca 0.00 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.42 2juj h ASP 23 Cb 0.05 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.55 2juj h ASP 23 CO -0.01 0.36 -0.03 0.40 -3.12 0.00 0.00 179.24 176.83 2juj h ILE 24 N 0.00 0.91 -0.54 0.35 2.04 -0.64 0.41 117.51 120.04 2juj h ILE 24 Ca -0.02 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 2juj h ILE 24 Cb 1.29 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 38.26 2juj h ILE 24 CO 0.04 0.00 0.24 -0.61 0.00 0.00 0.00 178.15 177.82 2juj h GLN 25 N -0.05 0.77 -0.59 2.37 -0.00 -1.12 -1.82 115.11 114.67 2juj h GLN 25 Ca 0.02 -0.10 -0.01 0.00 -0.00 0.00 0.00 58.65 58.55 2juj h GLN 25 Cb 0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 27.48 27.39 2juj h GLN 25 CO -0.04 0.61 0.32 -0.22 0.00 0.00 0.00 178.83 179.50 2juj h LYS 26 N 0.76 0.83 -0.90 1.69 3.64 -1.23 -2.23 116.57 119.13 2juj h LYS 26 Ca 0.19 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 2juj h LYS 26 Cb 0.12 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 31.73 2juj h LYS 26 CO -0.02 0.64 0.59 0.00 -2.27 0.00 0.00 179.45 178.39 2juj h ALA 27 N 1.14 1.18 -0.67 5.00 0.00 0.54 -2.61 119.26 123.85 2juj h ALA 27 Ca 0.21 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2juj h ALA 27 Cb 0.06 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2juj h ALA 27 CO -0.03 0.46 0.24 -0.07 0.00 0.00 0.00 179.25 179.86 2juj h LEU 28 N 1.15 0.92 -1.21 0.00 3.38 -0.78 0.16 115.31 118.94 2juj h LEU 28 Ca 0.35 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 2juj h LEU 28 Cb -0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 2juj h LEU 28 CO -0.11 0.84 -0.37 -0.37 0.09 0.00 0.00 178.44 178.53 2juj h VAL 29 N 0.98 1.27 0.00 1.22 -1.51 -1.05 0.20 116.25 117.36 2juj h VAL 29 Ca 0.22 -1.30 -0.13 0.00 -1.23 0.00 0.00 66.70 64.27 2juj h VAL 29 Cb 0.22 1.66 -0.02 0.00 -2.13 0.00 0.00 31.29 31.03 2juj h VAL 29 CO -0.02 0.37 -1.02 -0.29 -1.23 0.00 0.00 177.57 175.39 2juj h ILE 30 N 0.05 0.59 -0.12 7.19 -0.00 -1.38 -3.33 117.51 120.51 2juj h ILE 30 Ca 0.00 -1.99 0.00 0.00 -0.00 0.00 0.00 64.86 62.87 2juj h ILE 30 Cb 0.67 2.14 0.00 0.00 -0.00 0.00 0.00 36.82 39.63 2juj h ILE 30 CO 0.05 0.34 0.00 0.00 -0.00 0.00 0.00 178.15 178.54 2juj n ALA 31 N -2.31 2.54 -4.37 0.18 0.00 0.54 -4.89 120.51 112.20 2juj n ALA 31 Ca -0.04 -0.44 -0.39 0.00 0.00 0.00 0.00 53.44 52.57 2juj n ALA 31 Cb 0.77 -1.14 -0.05 0.00 0.00 0.00 0.00 19.45 19.03 2juj n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2juj n GLN 32 N 0.08 -2.05 -3.46 0.00 0.00 -0.06 0.42 117.38 112.32 2juj n GLN 32 Ca 0.16 0.27 -0.22 0.00 0.00 0.00 0.00 57.00 57.21 2juj n GLN 32 Cb 0.28 -4.92 0.07 0.00 0.00 0.00 0.00 30.24 25.67 2juj n GLN 32 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2juj n ASN 33 N -2.57 -6.06 -4.78 2.61 4.13 0.51 -4.62 115.26 104.49 2juj n ASN 33 Ca 0.09 -0.47 -0.39 0.00 1.68 0.00 0.00 54.58 55.49 2juj n ASN 33 Cb 0.47 -4.70 -0.06 0.00 -1.54 0.00 0.00 39.78 33.95 2juj n ASN 33 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 2juj s ASN 34 N -3.23 7.41 0.08 6.41 0.01 0.17 -4.94 114.94 120.85 2juj s ASN 34 Ca 0.52 1.70 -0.30 0.00 -0.71 0.00 0.00 52.86 54.07 2juj s ASN 34 Cb -0.23 -2.52 -0.16 0.00 0.41 0.00 0.00 41.25 38.75 2juj s ASN 34 CO 0.64 0.16 1.65 -0.29 -1.51 0.00 0.00 177.10 177.76 2juj h ILE 35 N 3.18 0.49 -0.17 0.60 2.10 -1.95 -2.86 117.51 118.90 2juj h ILE 35 Ca -0.47 0.00 -0.15 0.00 1.08 0.00 0.00 64.86 65.33 2juj h ILE 35 Cb 1.20 0.49 0.00 0.00 -1.09 0.00 0.00 36.82 37.43 2juj h ILE 35 CO 0.66 0.00 -0.46 -0.33 -1.08 0.00 0.00 178.15 176.94 2juj h GLU 36 N -0.63 0.62 -0.39 2.19 5.08 -1.96 -2.88 114.58 116.60 2juj h GLU 36 Ca -0.05 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 2juj h GLU 36 Cb 0.51 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 2juj h GLU 36 CO 0.06 1.05 0.19 1.98 -1.00 0.00 0.00 179.01 181.30 2juj h MET 37 N 0.29 0.54 0.11 2.33 4.05 -1.89 0.31 114.93 120.66 2juj h MET 37 Ca -0.01 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.35 2juj h MET 37 Cb 1.08 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.77 2juj h MET 37 CO 0.10 0.41 -0.05 0.00 0.23 0.00 0.00 176.91 177.60 2juj h ALA 38 N 1.68 -0.14 0.00 0.39 0.00 -1.49 0.16 119.26 119.85 2juj h ALA 38 Ca 0.14 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2juj h ALA 38 Cb 0.05 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2juj h ALA 38 CO -0.02 -0.32 -0.14 1.57 0.00 0.00 0.00 179.25 180.33 2juj h LYS 39 N -0.66 0.00 0.23 0.00 2.10 -1.26 -2.11 116.57 114.88 2juj h LYS 39 Ca -0.01 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.30 2juj h LYS 39 Cb 0.51 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.87 2juj h LYS 39 CO 0.02 0.14 -1.48 -0.91 -2.00 0.00 0.00 179.45 175.23 2juj h ASN 40 N 0.00 0.78 -0.46 7.07 2.35 -0.32 -2.66 115.58 122.34 2juj h ASN 40 Ca -0.00 -0.85 -0.09 0.00 -0.55 0.00 0.00 56.30 54.80 2juj h ASN 40 Cb 0.27 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 2juj h ASN 40 CO 0.02 1.67 -0.05 0.40 -1.65 0.00 0.00 177.43 177.82 2juj h ILE 41 N 0.14 1.26 -0.35 2.81 1.08 -0.43 0.15 117.51 122.16 2juj h ILE 41 Ca -0.25 -1.14 -0.00 0.00 -0.39 0.00 0.00 64.86 63.08 2juj h ILE 41 Cb 2.14 0.92 -0.02 0.00 -3.07 0.00 0.00 36.82 36.79 2juj h ILE 41 CO 0.26 0.40 0.21 -0.07 -0.69 0.00 0.00 178.15 178.26 2juj h LEU 42 N 0.82 0.42 -1.42 1.44 -0.00 -1.48 0.66 115.31 115.75 2juj h LEU 42 Ca 0.14 -0.05 0.16 0.00 -0.00 0.00 0.00 57.88 58.13 2juj h LEU 42 Cb 0.56 -0.11 -0.06 0.00 -0.00 0.00 0.00 40.66 41.05 2juj h LEU 42 CO 0.03 0.34 0.56 -0.09 -0.00 0.00 0.00 178.44 179.28 2juj h ARG 43 N 0.46 0.53 0.05 1.13 1.12 -1.00 -0.30 114.38 116.38 2juj h ARG 43 Ca 0.13 -0.03 -0.28 0.00 -1.11 0.00 0.00 59.98 58.68 2juj h ARG 43 Cb -0.00 -0.12 -0.03 0.00 -0.01 0.00 0.00 29.97 29.81 2juj h ARG 43 CO -0.02 0.35 -1.48 0.93 -3.11 0.00 0.00 179.97 176.64 2juj h GLU 44 N 0.55 0.11 0.00 0.20 5.08 -0.01 -3.45 114.58 117.05 2juj h GLU 44 Ca 0.43 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2juj h GLU 44 Cb 0.85 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2juj h GLU 44 CO -0.17 0.89 0.00 1.19 -1.00 0.00 0.00 179.01 179.91 2juj n PHE 45 N -3.29 0.00 -3.62 4.33 3.01 0.22 -5.03 117.46 113.08 2juj n PHE 45 Ca -0.13 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 57.96 2juj n PHE 45 Cb 1.02 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 40.40 2juj n PHE 45 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2juj s VAL 46 N -0.40 5.34 0.53 -4.37 0.11 -0.20 -5.02 120.40 116.39 2juj s VAL 46 Ca 0.00 0.31 0.09 0.00 -2.93 0.00 0.00 61.98 59.45 2juj s VAL 46 Cb 0.00 -3.54 0.06 0.00 -1.53 0.00 0.00 36.38 31.37 2juj s VAL 46 CO 0.00 0.36 0.72 -0.44 -3.33 0.00 0.00 175.10 172.41 2juj s SER 47 N 0.83 5.25 0.00 3.54 0.01 -1.26 -4.25 113.70 117.82 2juj s SER 47 Ca 0.10 -0.74 0.00 0.00 1.31 0.00 0.00 55.95 56.63 2juj s SER 47 Cb -0.13 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.13 2juj s SER 47 CO 0.03 -1.17 0.00 -0.38 0.41 0.00 0.00 173.24 172.13 2juj n ILE 48 N -2.12 0.00 -3.44 1.44 5.41 -1.26 -4.75 119.36 114.64 2juj n ILE 48 Ca 0.13 0.00 -0.19 0.00 1.00 0.00 0.00 62.75 63.70 2juj n ILE 48 Cb 0.61 -0.68 0.08 0.00 -0.71 0.00 0.00 39.64 38.94 2juj n ILE 48 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 2juj n SER 49 N 0.00 -3.35 -4.70 4.38 7.64 -1.26 -4.98 113.62 111.35 2juj n SER 49 Ca 0.00 -0.58 -0.41 0.00 1.01 0.00 0.00 58.87 58.89 2juj n SER 49 Cb 0.00 -4.95 -0.04 0.00 -1.01 0.00 0.00 64.21 58.21 2juj n SER 49 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2juj s SER 50 N -4.00 7.18 0.00 6.43 1.04 -1.26 -5.02 113.70 118.07 2juj s SER 50 Ca 0.18 1.44 0.00 0.00 0.48 0.00 0.00 55.95 58.04 2juj s SER 50 Cb -0.08 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.54 2juj s SER 50 CO 0.71 -0.26 0.00 -0.81 0.98 0.00 0.00 173.24 173.86 2juj n PRO 51 N 4.19 0.00 -3.69 4.02 -0.05 -1.26 -5.09 135.00 133.11 2juj n PRO 51 Ca 0.04 0.00 -0.11 0.00 -0.05 0.00 0.00 63.50 63.38 2juj n PRO 51 Cb 0.50 -0.12 -0.06 0.00 -0.05 0.00 0.00 33.50 33.77 2juj n PRO 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2juj s ALA 52 N -4.08 -0.81 -1.17 0.55 0.00 -1.26 -4.95 121.76 110.04 2juj s ALA 52 Ca 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 51.96 51.85 2juj s ALA 52 Cb 0.00 0.52 -0.02 0.00 0.00 0.00 0.00 23.12 23.61 2juj s ALA 52 CO 0.00 -0.54 0.82 1.58 0.00 0.00 0.00 175.76 177.62 2juj n HIS 53 N 0.11 -2.11 1.53 0.00 -0.00 -1.26 -4.88 115.22 108.60 2juj n HIS 53 Ca -0.17 0.75 0.14 0.00 -0.00 0.00 0.00 57.72 58.45 2juj n HIS 53 Cb 0.62 -4.13 0.61 0.00 -0.00 0.00 0.00 29.99 27.09 2juj n HIS 53 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.34 177.67 2juj n VAL 54 N -3.91 0.00 0.00 3.57 0.24 -1.26 -4.26 118.33 112.71 2juj n VAL 54 Ca -0.17 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 2juj n VAL 54 Cb 0.64 0.13 0.00 0.00 -1.47 0.00 0.00 33.84 33.14 2juj n VAL 54 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2juj n ALA 55 N -0.48 0.00 -1.75 2.33 0.00 -1.26 -5.10 120.51 114.26 2juj n ALA 55 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2juj n ALA 55 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 2juj n ALA 55 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13