#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 -7.03 -2.10 0.00 -2.24 -1.26 -4.76 114.28 96.89 2juj n THR 2 Ca 0.00 1.24 -0.29 0.00 -2.27 0.00 0.00 64.05 62.73 2juj n THR 2 Cb 0.00 -4.86 -0.05 0.00 -2.10 0.00 0.00 70.33 63.31 2juj n THR 2 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2juj s ALA 3 N -1.08 1.83 0.07 6.98 0.00 -1.26 -4.93 121.76 123.37 2juj s ALA 3 Ca -0.04 -1.85 -0.31 0.00 0.00 0.00 0.00 51.96 49.76 2juj s ALA 3 Cb 0.00 -4.61 -0.07 0.00 0.00 0.00 0.00 23.12 18.44 2juj s ALA 3 CO 0.39 -4.86 1.47 -1.54 0.00 0.00 0.00 175.76 171.22 2juj s SER 4 N 7.13 6.77 0.35 0.00 1.04 -1.26 -4.92 113.70 122.81 2juj s SER 4 Ca 0.68 2.30 0.14 0.00 0.48 0.00 0.00 55.95 59.55 2juj s SER 4 Cb -0.04 -2.57 0.65 0.00 0.10 0.00 0.00 66.02 64.17 2juj s SER 4 CO 0.05 -0.74 1.77 1.55 0.98 0.00 0.00 173.24 176.84 2juj h PRO 5 N 7.53 0.00 0.08 4.02 0.13 -1.98 -2.62 132.00 139.16 2juj h PRO 5 Ca -0.41 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.47 2juj h PRO 5 Cb 1.20 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.35 2juj h PRO 5 CO 0.90 0.43 -1.05 1.96 -0.23 0.00 0.00 178.00 180.01 2juj h GLN 6 N 0.00 0.58 -0.52 0.86 4.20 -1.97 0.20 115.11 118.45 2juj h GLN 6 Ca -0.00 -0.72 -0.08 0.00 0.06 0.00 0.00 58.65 57.91 2juj h GLN 6 Cb 0.80 0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.79 2juj h GLN 6 CO 0.06 1.31 0.02 1.25 -0.67 0.00 0.00 178.83 180.79 2juj h LEU 7 N 0.17 0.89 -1.18 1.46 7.12 -1.97 -0.45 115.31 121.35 2juj h LEU 7 Ca -0.15 -0.30 -0.07 0.00 0.13 0.00 0.00 57.88 57.48 2juj h LEU 7 Cb 1.74 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 41.62 2juj h LEU 7 CO 0.20 0.97 -0.24 -1.28 -0.13 0.00 0.00 178.44 177.97 2juj h SER 8 N 0.79 0.27 0.18 1.25 0.87 -1.45 -1.34 113.55 114.11 2juj h SER 8 Ca 0.15 -0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.60 2juj h SER 8 Cb 0.50 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 2juj h SER 8 CO 0.02 0.52 -0.17 0.28 -0.53 0.00 0.00 176.83 176.95 2juj h SER 9 N 0.25 0.00 -0.47 6.23 0.02 0.25 -2.13 113.55 117.69 2juj h SER 9 Ca 0.04 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2juj h SER 9 Cb 0.56 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 2juj h SER 9 CO 0.04 0.17 0.27 -0.33 -1.14 0.00 0.00 176.83 175.84 2juj h GLU 10 N 0.00 0.65 -0.27 3.45 4.39 0.08 0.86 114.58 123.74 2juj h GLU 10 Ca -0.00 -0.07 0.05 0.00 0.34 0.00 0.00 59.36 59.68 2juj h GLU 10 Cb 0.31 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 28.78 2juj h GLU 10 CO 0.02 0.50 -0.06 0.82 -1.16 0.00 0.00 179.01 179.13 2juj h ILE 11 N 0.63 0.74 -0.27 3.13 2.04 -1.34 -1.32 117.51 121.12 2juj h ILE 11 Ca 0.17 -0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.10 2juj h ILE 11 Cb 0.03 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 2juj h ILE 11 CO -0.03 0.00 0.21 -0.33 0.00 0.00 0.00 178.15 178.01 2juj h GLU 12 N 0.01 0.00 0.11 2.37 4.39 -0.74 0.26 114.58 120.98 2juj h GLU 12 Ca 0.13 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 2juj h GLU 12 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2juj h GLU 12 CO -0.27 0.00 -0.05 -0.97 -1.16 0.00 0.00 179.01 176.56 2juj h ASN 13 N 0.00 -0.13 1.30 1.42 -0.00 0.35 0.54 115.58 119.06 2juj h ASN 13 Ca 0.13 -0.10 -0.10 0.00 -0.00 0.00 0.00 56.30 56.23 2juj h ASN 13 Cb 0.55 0.03 -0.02 0.00 -0.00 0.00 0.00 38.32 38.89 2juj h ASN 13 CO -0.00 0.02 -0.73 0.17 -0.00 0.00 0.00 177.43 176.88 2juj h LEU 14 N -0.27 0.00 -0.60 0.34 -0.00 -1.36 -3.20 115.31 110.22 2juj h LEU 14 Ca -0.02 0.00 0.09 0.00 -0.00 0.00 0.00 57.88 57.95 2juj h LEU 14 Cb 0.22 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 40.81 2juj h LEU 14 CO 0.03 0.41 0.24 0.24 -0.00 0.00 0.00 178.44 179.35 2juj h MET 15 N 0.00 0.42 0.00 0.17 2.86 -0.36 -1.01 114.93 117.01 2juj h MET 15 Ca -0.05 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2juj h MET 15 Cb 1.35 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.92 2juj h MET 15 CO 0.05 0.28 -0.02 1.03 1.06 0.00 0.00 176.91 179.31 2juj h SER 16 N 0.43 0.00 1.08 1.22 0.87 -0.88 0.78 113.55 117.05 2juj h SER 16 Ca 0.30 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 2juj h SER 16 Cb 0.34 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2juj h SER 16 CO -0.28 0.02 -0.17 0.00 -0.53 0.00 0.00 176.83 175.86 2juj n GLN 17 N -3.29 0.14 0.00 2.24 6.02 -0.40 -4.90 117.38 117.19 2juj n GLN 17 Ca -0.02 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 2juj n GLN 17 Cb 0.12 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 29.74 2juj n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2juj n GLY 18 N 1.40 1.25 3.58 1.08 0.00 0.27 -4.95 105.19 107.83 2juj n GLY 18 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 2juj n GLY 18 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2juj n TYR 19 N -0.45 0.33 -3.59 1.61 4.01 -1.12 -4.89 117.16 113.07 2juj n TYR 19 Ca 0.00 0.39 -0.37 0.00 -0.16 0.00 0.00 57.90 57.76 2juj n TYR 19 Cb 0.00 -2.05 -0.07 0.00 -0.31 0.00 0.00 39.34 36.92 2juj n TYR 19 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2juj s SER 20 N -1.58 6.48 0.51 7.72 0.01 -1.26 -4.66 113.70 120.92 2juj s SER 20 Ca 0.72 0.56 0.25 0.00 1.31 0.00 0.00 55.95 58.78 2juj s SER 20 Cb -0.35 -2.17 1.38 0.00 0.21 0.00 0.00 66.02 65.08 2juj s SER 20 CO 0.52 0.18 2.07 0.10 0.41 0.00 0.00 173.24 176.52 2juj h TYR 21 N 6.13 0.00 -0.17 2.43 -0.00 -1.97 0.71 116.97 124.10 2juj h TYR 21 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.28 2juj h TYR 21 Cb 1.18 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.90 2juj h TYR 21 CO 0.64 0.12 0.11 -0.56 -0.00 0.00 0.00 178.16 178.47 2juj h GLN 22 N 0.00 0.23 0.00 0.10 3.07 -2.00 -1.10 115.11 115.40 2juj h GLN 22 Ca -0.00 -0.02 -0.11 0.00 0.09 0.00 0.00 58.65 58.61 2juj h GLN 22 Cb 0.30 -0.05 -0.02 0.00 0.08 0.00 0.00 27.48 27.80 2juj h GLN 22 CO 0.02 0.17 -0.56 -0.44 0.09 0.00 0.00 178.83 178.11 2juj h ASP 23 N 0.21 0.00 0.02 0.06 5.19 -1.76 -2.77 116.42 117.37 2juj h ASP 23 Ca 0.06 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.47 2juj h ASP 23 Cb -0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2juj h ASP 23 CO -0.01 0.54 -0.01 0.40 -3.12 0.00 0.00 179.24 177.03 2juj h ILE 24 N 0.00 0.99 -0.41 0.35 2.04 -0.68 0.46 117.51 120.24 2juj h ILE 24 Ca -0.01 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 2juj h ILE 24 Cb 1.42 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 38.48 2juj h ILE 24 CO 0.07 0.01 0.12 -0.61 0.00 0.00 0.00 178.15 177.74 2juj h GLN 25 N -0.04 0.60 -0.34 2.37 -0.00 -1.23 -1.04 115.11 115.44 2juj h GLN 25 Ca -0.00 -0.09 -0.00 0.00 -0.00 0.00 0.00 58.65 58.55 2juj h GLN 25 Cb 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 27.48 27.39 2juj h GLN 25 CO 0.00 0.54 0.20 -0.22 0.00 0.00 0.00 178.83 179.35 2juj h LYS 26 N 0.59 0.46 -0.97 1.69 3.64 -1.09 -2.08 116.57 118.82 2juj h LYS 26 Ca 0.14 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 2juj h LYS 26 Cb 0.19 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 31.85 2juj h LYS 26 CO -0.01 0.36 0.63 0.00 -2.27 0.00 0.00 179.45 178.16 2juj h ALA 27 N 1.08 1.40 -0.51 5.00 0.00 0.74 -2.39 119.26 124.58 2juj h ALA 27 Ca 0.12 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2juj h ALA 27 Cb 0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2juj h ALA 27 CO -0.02 0.49 0.09 -0.07 0.00 0.00 0.00 179.25 179.73 2juj h LEU 28 N 1.19 0.75 -1.02 0.00 3.38 -0.63 0.33 115.31 119.31 2juj h LEU 28 Ca 0.40 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 58.12 2juj h LEU 28 Cb 0.07 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2juj h LEU 28 CO -0.14 0.77 -0.43 -0.37 0.09 0.00 0.00 178.44 178.36 2juj h VAL 29 N 0.77 1.32 0.04 1.22 -1.51 -0.87 0.62 116.25 117.83 2juj h VAL 29 Ca 0.16 -1.53 -0.29 0.00 -1.23 0.00 0.00 66.70 63.82 2juj h VAL 29 Cb 0.34 1.75 -0.03 0.00 -2.13 0.00 0.00 31.29 31.21 2juj h VAL 29 CO 0.00 0.45 -1.57 -0.29 -1.23 0.00 0.00 177.57 174.93 2juj h ILE 30 N 0.10 1.04 -0.23 7.19 -0.00 -1.34 -3.30 117.51 120.98 2juj h ILE 30 Ca 0.01 -2.82 0.00 0.00 -0.00 0.00 0.00 64.86 62.05 2juj h ILE 30 Cb 0.80 2.57 0.00 0.00 -0.00 0.00 0.00 36.82 40.20 2juj h ILE 30 CO 0.06 0.68 0.00 0.00 -0.00 0.00 0.00 178.15 178.89 2juj n ALA 31 N -2.58 2.48 -4.21 0.18 0.00 0.11 -4.91 120.51 111.58 2juj n ALA 31 Ca -0.15 -0.44 -0.37 0.00 0.00 0.00 0.00 53.44 52.47 2juj n ALA 31 Cb 1.03 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 19.41 2juj n ALA 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2juj n GLN 32 N 0.20 -0.64 -4.10 0.00 3.00 0.36 0.18 117.38 116.38 2juj n GLN 32 Ca 0.10 0.07 -0.30 0.00 -0.01 0.00 0.00 57.00 56.86 2juj n GLN 32 Cb 0.22 -3.06 -0.03 0.00 0.00 0.00 0.00 30.24 27.37 2juj n GLN 32 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2juj n ASN 33 N -2.53 -1.40 -4.85 1.08 6.94 0.19 -4.97 115.26 109.72 2juj n ASN 33 Ca -0.24 -1.04 -0.30 0.00 -0.02 0.00 0.00 54.58 52.98 2juj n ASN 33 Cb 0.63 -2.78 0.06 0.00 -2.36 0.00 0.00 39.78 35.33 2juj n ASN 33 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 2juj s ASN 34 N -3.94 5.24 0.00 0.53 0.01 0.13 -5.03 114.94 111.88 2juj s ASN 34 Ca 0.30 1.28 0.00 0.00 -0.71 0.00 0.00 52.86 53.73 2juj s ASN 34 Cb -0.17 -2.10 0.00 0.00 0.41 0.00 0.00 41.25 39.40 2juj s ASN 34 CO 0.92 -1.49 0.30 0.00 -1.51 0.00 0.00 177.10 175.32 2juj n ILE 35 N -3.12 0.00 0.09 0.60 3.06 -1.26 -3.86 119.36 114.86 2juj n ILE 35 Ca 0.07 0.74 -0.15 0.00 -2.50 0.00 0.00 62.75 60.91 2juj n ILE 35 Cb 0.56 -1.61 -0.09 0.00 0.54 0.00 0.00 39.64 39.03 2juj n ILE 35 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 2juj h GLU 36 N 0.00 0.34 -0.47 9.51 5.08 -1.97 -3.15 114.58 123.91 2juj h GLU 36 Ca 0.00 -0.46 0.01 0.00 -1.00 0.00 0.00 59.36 57.91 2juj h GLU 36 Cb 0.00 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2juj h GLU 36 CO 0.00 1.17 0.31 1.98 -1.00 0.00 0.00 179.01 181.47 2juj h MET 37 N 0.14 0.59 0.09 2.33 4.05 -1.91 0.42 114.93 120.65 2juj h MET 37 Ca -0.11 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.27 2juj h MET 37 Cb 1.79 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 32.46 2juj h MET 37 CO 0.19 0.39 -0.04 0.00 0.23 0.00 0.00 176.91 177.68 2juj h ALA 38 N 1.71 -0.11 0.00 0.39 0.00 -1.67 -2.19 119.26 117.40 2juj h ALA 38 Ca 0.18 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2juj h ALA 38 Cb -0.03 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2juj h ALA 38 CO -0.04 -0.23 -0.11 1.57 0.00 0.00 0.00 179.25 180.44 2juj h LYS 39 N -0.77 0.00 -0.17 0.00 2.10 -1.43 -2.02 116.57 114.28 2juj h LYS 39 Ca -0.01 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.43 2juj h LYS 39 Cb 0.59 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.92 2juj h LYS 39 CO 0.02 0.11 -0.72 -0.91 -2.00 0.00 0.00 179.45 175.95 2juj h ASN 40 N 0.00 0.85 -0.50 7.07 2.35 -0.18 -2.73 115.58 122.44 2juj h ASN 40 Ca -0.00 -0.54 -0.09 0.00 -0.55 0.00 0.00 56.30 55.12 2juj h ASN 40 Cb 0.20 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 2juj h ASN 40 CO 0.01 1.32 -0.02 0.40 -1.65 0.00 0.00 177.43 177.49 2juj h ILE 41 N 0.51 1.26 -0.52 2.81 1.08 -0.71 0.71 117.51 122.66 2juj h ILE 41 Ca -0.03 -1.12 0.01 0.00 -0.39 0.00 0.00 64.86 63.32 2juj h ILE 41 Cb 1.33 0.86 -0.03 0.00 -3.07 0.00 0.00 36.82 35.92 2juj h ILE 41 CO 0.15 0.40 0.34 -0.07 -0.69 0.00 0.00 178.15 178.28 2juj h LEU 42 N 0.86 0.60 -0.56 1.44 -0.00 -1.44 0.53 115.31 116.74 2juj h LEU 42 Ca 0.16 -0.01 0.05 0.00 -0.00 0.00 0.00 57.88 58.08 2juj h LEU 42 Cb 0.54 -0.15 -0.05 0.00 -0.00 0.00 0.00 40.66 41.00 2juj h LEU 42 CO 0.03 0.43 0.28 -0.09 -0.00 0.00 0.00 178.44 179.09 2juj h ARG 43 N 0.70 0.52 -0.16 1.13 1.12 -1.09 -2.46 114.38 114.13 2juj h ARG 43 Ca 0.19 -0.03 -0.21 0.00 -1.11 0.00 0.00 59.98 58.82 2juj h ARG 43 Cb -0.08 -0.12 0.01 0.00 -0.01 0.00 0.00 29.97 29.77 2juj h ARG 43 CO -0.04 0.34 -0.74 0.93 -3.11 0.00 0.00 179.97 177.35 2juj h GLU 44 N 0.53 0.75 0.00 0.20 5.08 -0.30 -3.44 114.58 117.41 2juj h GLU 44 Ca 0.25 -0.59 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2juj h GLU 44 Cb 0.18 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2juj h GLU 44 CO -0.18 1.21 0.00 1.19 -1.00 0.00 0.00 179.01 180.22 2juj n PHE 45 N -3.93 0.00 -2.33 4.33 3.01 0.18 -5.03 117.46 113.68 2juj n PHE 45 Ca -0.07 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.04 2juj n PHE 45 Cb 0.72 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.18 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 0.00 3.30 0.38 -4.37 0.11 -0.94 -5.03 120.40 113.85 2juj s VAL 46 Ca 0.00 0.88 0.08 0.00 -2.93 0.00 0.00 61.98 60.01 2juj s VAL 46 Cb 0.00 -3.40 -0.06 0.00 -1.53 0.00 0.00 36.38 31.39 2juj s VAL 46 CO 0.00 -0.11 0.05 -0.44 -3.33 0.00 0.00 175.10 171.27 2juj s SER 47 N -1.65 4.11 -0.09 3.54 0.01 -1.26 -4.47 113.70 113.88 2juj s SER 47 Ca 0.67 -1.15 0.02 0.00 1.31 0.00 0.00 55.95 56.80 2juj s SER 47 Cb -0.24 -0.46 -0.02 0.00 0.21 0.00 0.00 66.02 65.52 2juj s SER 47 CO 0.28 -0.38 -0.16 -0.63 0.41 0.00 0.00 173.24 172.76 2juj s ILE 48 N -2.61 2.87 -0.80 1.44 1.01 -1.26 -4.84 121.20 117.01 2juj s ILE 48 Ca 0.36 -0.75 0.24 0.00 0.00 0.00 0.00 60.65 60.50 2juj s ILE 48 Cb 0.04 -2.16 0.01 0.00 0.01 0.00 0.00 42.46 40.36 2juj s ILE 48 CO 0.20 0.55 1.32 -1.20 0.00 0.00 0.00 174.94 175.81 2juj n SER 49 N 3.08 0.59 -4.72 3.58 7.64 -1.26 -4.92 113.62 117.61 2juj n SER 49 Ca -0.18 -0.09 -0.42 0.00 1.01 0.00 0.00 58.87 59.19 2juj n SER 49 Cb 0.52 0.29 -0.03 0.00 -1.01 0.00 0.00 64.21 63.99 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 -3.63 6.48 0.15 6.43 1.04 -1.26 -4.96 113.70 117.96 2juj s SER 50 Ca 0.08 2.76 -0.29 0.00 0.48 0.00 0.00 55.95 58.98 2juj s SER 50 Cb 0.15 -2.60 -0.07 0.00 0.10 0.00 0.00 66.02 63.60 2juj s SER 50 CO 0.72 -0.89 0.91 -2.84 0.98 0.00 0.00 173.24 172.12 2juj s PRO 51 N 0.86 4.71 -0.30 4.02 0.02 -1.26 -4.61 135.00 138.44 2juj s PRO 51 Ca 0.70 1.38 -0.03 0.00 0.02 0.00 0.00 61.00 63.08 2juj s PRO 51 Cb -0.46 -3.33 0.00 0.00 0.02 0.00 0.00 34.50 30.73 2juj s PRO 51 CO 0.34 0.36 0.09 0.00 -0.33 0.00 0.00 177.00 177.47 2juj n ALA 52 N 2.22 -3.37 -0.08 -1.55 0.00 -1.26 -5.01 120.51 111.46 2juj n ALA 52 Ca -0.01 0.56 -0.10 0.00 0.00 0.00 0.00 53.44 53.89 2juj n ALA 52 Cb 0.49 -1.34 -0.05 0.00 0.00 0.00 0.00 19.45 18.54 2juj n ALA 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2juj h HIS 53 N 2.58 0.00 -0.38 0.00 3.86 -1.93 -3.37 115.15 115.91 2juj h HIS 53 Ca 0.00 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.00 2juj h HIS 53 Cb 0.16 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 28.51 2juj h HIS 53 CO 0.02 0.54 0.27 1.33 0.86 0.00 0.00 177.93 180.95 2juj n VAL 54 N -4.59 1.99 0.55 2.45 0.24 -1.26 -4.38 118.33 113.34 2juj n VAL 54 Ca -0.13 -0.87 -0.02 0.00 -2.04 0.00 0.00 64.34 61.28 2juj n VAL 54 Cb 0.36 -0.90 0.06 0.00 -1.47 0.00 0.00 33.84 31.89 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 0.00 3.00 -1.66 2.33 0.00 -1.26 -5.33 120.51 117.59 2juj n ALA 55 Ca 0.23 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2juj n ALA 55 Cb 0.88 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 19.26 2juj n ALA 55 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91