#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2juj h THR 2 N 0.00 0.00 -2.64 0.00 1.35 -2.12 -3.50 112.91 106.00 2juj h THR 2 Ca 0.00 -0.12 -0.04 0.00 -0.55 0.00 0.00 66.41 65.70 2juj h THR 2 Cb 0.00 0.00 -0.15 0.00 -1.73 0.00 0.00 68.15 66.27 2juj h THR 2 CO 0.00 0.00 0.19 0.00 -0.25 0.00 0.00 175.52 175.46 2juj s ALA 3 N -2.96 -1.63 -0.06 6.62 0.00 -1.26 -5.14 121.76 117.34 2juj s ALA 3 Ca -0.01 0.78 -0.30 0.00 0.00 0.00 0.00 51.96 52.43 2juj s ALA 3 Cb 0.00 0.54 -0.03 0.00 0.00 0.00 0.00 23.12 23.63 2juj s ALA 3 CO 0.01 -0.61 1.20 0.45 0.00 0.00 0.00 175.76 176.81 2juj s SER 4 N -2.14 7.05 0.55 0.00 0.15 -1.26 -4.90 113.70 113.15 2juj s SER 4 Ca -0.04 1.81 0.34 0.00 0.70 0.00 0.00 55.95 58.76 2juj s SER 4 Cb -0.01 -2.56 1.39 0.00 -1.71 0.00 0.00 66.02 63.14 2juj s SER 4 CO -0.04 -0.58 1.99 1.55 1.20 0.00 0.00 173.24 177.36 2juj h PRO 5 N 7.45 0.00 0.16 5.44 0.13 -2.00 -0.66 132.00 142.52 2juj h PRO 5 Ca -0.34 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.50 2juj h PRO 5 Cb 1.16 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.30 2juj h PRO 5 CO 0.88 0.00 -1.39 1.96 -0.23 0.00 0.00 178.00 179.22 2juj h GLN 6 N 0.00 0.34 -0.06 0.86 4.20 -1.97 -2.40 115.11 116.08 2juj h GLN 6 Ca 0.00 -0.58 -0.00 0.00 0.06 0.00 0.00 58.65 58.12 2juj h GLN 6 Cb 0.50 0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.49 2juj h GLN 6 CO 0.00 1.28 0.02 1.25 -0.67 0.00 0.00 178.83 180.71 2juj h LEU 7 N -0.14 0.08 -1.43 1.46 7.12 -1.91 -1.31 115.31 119.17 2juj h LEU 7 Ca -0.28 -0.17 0.09 0.00 0.13 0.00 0.00 57.88 57.65 2juj h LEU 7 Cb 1.89 -0.02 -0.05 0.00 -0.53 0.00 0.00 40.66 41.95 2juj h LEU 7 CO 0.14 0.23 0.47 -1.28 -0.13 0.00 0.00 178.44 177.87 2juj h SER 8 N -0.07 0.58 0.05 1.25 0.87 -1.26 -1.22 113.55 113.76 2juj h SER 8 Ca 0.02 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.55 2juj h SER 8 Cb 0.17 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 2juj h SER 8 CO -0.00 0.36 -0.13 -1.28 -0.53 0.00 0.00 176.83 175.24 2juj h SER 9 N 0.65 0.17 -0.15 6.23 0.87 -0.74 0.30 113.55 120.87 2juj h SER 9 Ca 0.32 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 2juj h SER 9 Cb 0.41 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 2juj h SER 9 CO -0.11 0.32 0.06 -0.33 -0.53 0.00 0.00 176.83 176.24 2juj h GLU 10 N 0.17 0.23 -0.02 2.24 4.39 -0.17 0.20 114.58 121.63 2juj h GLU 10 Ca 0.04 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2juj h GLU 10 Cb 0.35 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2juj h GLU 10 CO 0.02 0.33 0.01 0.82 -1.16 0.00 0.00 179.01 179.03 2juj h ILE 11 N 0.09 1.00 0.00 3.13 2.04 -1.21 -2.28 117.51 120.27 2juj h ILE 11 Ca 0.05 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 2juj h ILE 11 Cb 0.19 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 2juj h ILE 11 CO -0.00 0.00 -0.08 -0.33 0.00 0.00 0.00 178.15 177.74 2juj h GLU 12 N 0.02 0.00 0.12 2.37 5.08 -0.27 0.00 114.58 121.90 2juj h GLU 12 Ca 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2juj h GLU 12 Cb -0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2juj h GLU 12 CO -0.00 0.08 -0.06 -0.97 -1.00 0.00 0.00 179.01 177.06 2juj h ASN 13 N 0.00 -0.13 1.42 1.42 -0.00 0.01 -2.40 115.58 115.90 2juj h ASN 13 Ca -0.00 -0.10 -0.09 0.00 -0.00 0.00 0.00 56.30 56.11 2juj h ASN 13 Cb 0.21 0.03 -0.01 0.00 -0.00 0.00 0.00 38.32 38.55 2juj h ASN 13 CO 0.01 0.02 -0.60 0.17 -0.00 0.00 0.00 177.43 177.03 2juj h LEU 14 N -0.27 0.00 -2.01 0.34 -0.00 -1.46 -3.26 115.31 108.64 2juj h LEU 14 Ca -0.02 0.00 0.15 0.00 -0.00 0.00 0.00 57.88 58.02 2juj h LEU 14 Cb 0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.86 2juj h LEU 14 CO 0.03 0.40 0.41 0.24 -0.00 0.00 0.00 178.44 179.52 2juj h MET 15 N 0.00 0.00 0.00 0.17 2.86 -0.78 -1.91 114.93 115.27 2juj h MET 15 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2juj h MET 15 Cb 1.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.99 2juj h MET 15 CO 0.05 0.00 0.00 0.45 1.06 0.00 0.00 176.91 178.47 2juj n SER 16 N -4.22 0.00 0.15 1.22 2.88 -0.92 -2.09 113.62 110.64 2juj n SER 16 Ca 0.10 0.46 0.05 0.00 -1.33 0.00 0.00 58.87 58.15 2juj n SER 16 Cb 0.63 -0.48 0.05 0.00 -0.75 0.00 0.00 64.21 63.66 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 7.50 -1.58 -3.47 115.11 116.10 2juj h GLN 17 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2juj h GLN 17 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.91 2juj h GLN 17 CO 0.00 0.37 0.00 0.41 -1.50 0.00 0.00 178.83 178.11 2juj n GLY 18 N 1.21 1.10 3.54 3.46 0.00 -0.89 -4.82 105.19 108.79 2juj n GLY 18 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 1.47 -0.17 1.61 2.02 -1.25 -4.92 117.35 114.11 2juj s TYR 19 Ca 0.00 1.26 -0.07 0.00 -0.37 0.00 0.00 57.07 57.89 2juj s TYR 19 Cb 0.00 -3.15 -0.04 0.00 -0.40 0.00 0.00 41.96 38.37 2juj s TYR 19 CO 0.00 -3.61 0.05 -1.12 -1.57 0.00 0.00 175.55 169.30 2juj s SER 20 N -2.64 5.57 0.51 2.29 0.01 -1.26 -4.93 113.70 113.26 2juj s SER 20 Ca 0.68 0.08 0.28 0.00 1.31 0.00 0.00 55.95 58.30 2juj s SER 20 Cb -0.24 -1.93 1.35 0.00 0.21 0.00 0.00 66.02 65.41 2juj s SER 20 CO 0.63 0.19 2.01 0.10 0.41 0.00 0.00 173.24 176.58 2juj h TYR 21 N 6.57 0.00 0.39 2.43 -0.00 -1.97 0.64 116.97 125.02 2juj h TYR 21 Ca -0.38 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.34 2juj h TYR 21 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.90 2juj h TYR 21 CO 0.57 0.13 -0.19 -0.56 -0.00 0.00 0.00 178.16 178.10 2juj h GLN 22 N 0.00 -0.51 0.00 0.10 3.07 -2.00 -1.75 115.11 114.02 2juj h GLN 22 Ca -0.00 0.03 -0.09 0.00 0.09 0.00 0.00 58.65 58.68 2juj h GLN 22 Cb 0.45 0.12 -0.01 0.00 0.08 0.00 0.00 27.48 28.12 2juj h GLN 22 CO 0.02 -0.34 -0.64 -0.44 0.09 0.00 0.00 178.83 177.51 2juj h ASP 23 N -0.53 0.00 0.01 0.06 5.19 -1.90 -2.94 116.42 116.32 2juj h ASP 23 Ca -0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 2juj h ASP 23 Cb 0.41 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.92 2juj h ASP 23 CO 0.08 0.38 -0.01 0.40 -3.12 0.00 0.00 179.24 176.97 2juj h ILE 24 N 0.00 0.97 -0.32 0.35 2.04 -0.81 0.41 117.51 120.15 2juj h ILE 24 Ca -0.03 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.76 2juj h ILE 24 Cb 1.32 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 2juj h ILE 24 CO 0.04 0.00 -0.08 -0.61 0.00 0.00 0.00 178.15 177.51 2juj h GLN 25 N -0.03 0.53 -0.90 2.37 4.15 -1.39 -1.62 115.11 118.23 2juj h GLN 25 Ca 0.00 -0.14 -0.01 0.00 0.77 0.00 0.00 58.65 59.27 2juj h GLN 25 Cb 0.03 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.61 2juj h GLN 25 CO -0.00 0.62 0.51 -0.22 -1.93 0.00 0.00 178.83 177.81 2juj h LYS 26 N 0.50 1.24 -0.77 1.69 3.64 -1.23 -1.40 116.57 120.24 2juj h LYS 26 Ca 0.10 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 2juj h LYS 26 Cb 0.45 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 2juj h LYS 26 CO 0.02 0.89 0.30 0.00 -2.27 0.00 0.00 179.45 178.40 2juj h ALA 27 N 1.28 1.07 -0.46 5.00 0.00 0.54 -2.84 119.26 123.85 2juj h ALA 27 Ca 0.32 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2juj h ALA 27 Cb -0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2juj h ALA 27 CO -0.05 0.65 0.01 -0.07 0.00 0.00 0.00 179.25 179.79 2juj h LEU 28 N 1.12 0.72 -1.06 0.00 3.38 -0.46 0.33 115.31 119.33 2juj h LEU 28 Ca 0.26 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 2juj h LEU 28 Cb 0.22 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2juj h LEU 28 CO -0.02 0.78 -0.47 -0.37 0.09 0.00 0.00 178.44 178.45 2juj h VAL 29 N 0.70 1.34 0.02 1.22 -1.51 -1.06 0.37 116.25 117.33 2juj h VAL 29 Ca 0.14 -1.60 -0.27 0.00 -1.23 0.00 0.00 66.70 63.74 2juj h VAL 29 Cb 0.42 1.86 -0.04 0.00 -2.13 0.00 0.00 31.29 31.41 2juj h VAL 29 CO 0.02 0.46 -1.49 -0.29 -1.23 0.00 0.00 177.57 175.04 2juj h ILE 30 N 0.00 1.13 -0.30 7.19 -0.00 -1.35 -3.33 117.51 120.86 2juj h ILE 30 Ca -0.00 -2.91 0.00 0.00 -0.00 0.00 0.00 64.86 61.94 2juj h ILE 30 Cb 0.83 2.60 0.00 0.00 -0.00 0.00 0.00 36.82 40.24 2juj h ILE 30 CO 0.06 0.69 0.00 0.00 -0.00 0.00 0.00 178.15 178.90 2juj n ALA 31 N -2.53 2.55 -3.95 0.18 0.00 0.11 -4.90 120.51 111.98 2juj n ALA 31 Ca -0.12 -0.59 -0.31 0.00 0.00 0.00 0.00 53.44 52.42 2juj n ALA 31 Cb 1.02 -0.99 -0.07 0.00 0.00 0.00 0.00 19.45 19.41 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 0.39 -0.84 -2.20 0.00 -0.00 0.24 0.35 117.38 115.33 2juj n GLN 32 Ca 0.11 0.10 -0.12 0.00 -0.00 0.00 0.00 57.00 57.09 2juj n GLN 32 Cb 0.33 -3.42 -0.01 0.00 -0.00 0.00 0.00 30.24 27.13 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 -1.99 -3.80 -4.79 2.61 4.13 0.10 -5.02 115.26 106.50 2juj n ASN 33 Ca -0.05 -0.00 -0.34 0.00 1.68 0.00 0.00 54.58 55.87 2juj n ASN 33 Cb 0.44 -3.00 -0.01 0.00 -1.54 0.00 0.00 39.78 35.67 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 -2.48 5.94 -0.05 6.41 0.01 0.16 -4.99 114.94 119.94 2juj s ASN 34 Ca 0.00 2.00 -0.23 0.00 -0.71 0.00 0.00 52.86 53.93 2juj s ASN 34 Cb 0.00 -2.56 -0.18 0.00 0.41 0.00 0.00 41.25 38.92 2juj s ASN 34 CO 0.00 -1.06 0.95 -0.29 -1.51 0.00 0.00 177.10 175.19 2juj h ILE 35 N 1.14 1.04 -0.01 0.60 2.10 -1.90 -3.15 117.51 117.34 2juj h ILE 35 Ca -0.49 -1.24 -0.12 0.00 1.08 0.00 0.00 64.86 64.09 2juj h ILE 35 Cb 1.24 1.75 0.01 0.00 -1.09 0.00 0.00 36.82 38.73 2juj h ILE 35 CO 0.58 0.27 -0.48 -0.33 -1.08 0.00 0.00 178.15 177.10 2juj h GLU 36 N -0.79 0.34 -0.01 2.19 5.08 -1.94 -2.57 114.58 116.88 2juj h GLU 36 Ca -0.02 -0.36 -0.04 0.00 -1.00 0.00 0.00 59.36 57.95 2juj h GLU 36 Cb 0.56 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2juj h GLU 36 CO 0.03 1.04 -0.17 1.98 -1.00 0.00 0.00 179.01 180.88 2juj h MET 37 N -0.21 0.02 0.05 2.33 4.05 -1.90 0.30 114.93 119.56 2juj h MET 37 Ca -0.06 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.36 2juj h MET 37 Cb 1.20 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.00 2juj h MET 37 CO 0.10 0.19 -0.02 0.00 0.23 0.00 0.00 176.91 177.40 2juj h ALA 38 N 1.81 -0.07 -0.11 0.39 0.00 -1.59 -2.53 119.26 117.16 2juj h ALA 38 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 2juj h ALA 38 Cb 0.32 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2juj h ALA 38 CO 0.02 -0.16 0.03 1.57 0.00 0.00 0.00 179.25 180.71 2juj h LYS 39 N -0.82 0.15 -0.34 0.00 2.10 -1.13 -1.65 116.57 114.88 2juj h LYS 39 Ca -0.01 -0.01 -0.13 0.00 -2.00 0.00 0.00 60.65 58.50 2juj h LYS 39 Cb 0.66 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.95 2juj h LYS 39 CO 0.01 0.15 -0.28 -0.91 -2.00 0.00 0.00 179.45 176.41 2juj h ASN 40 N 0.15 0.84 -0.51 7.07 2.35 -0.48 -1.31 115.58 123.69 2juj h ASN 40 Ca 0.04 -0.45 -0.09 0.00 -0.55 0.00 0.00 56.30 55.25 2juj h ASN 40 Cb 0.06 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 2juj h ASN 40 CO -0.00 1.12 -0.01 0.40 -1.65 0.00 0.00 177.43 177.29 2juj h ILE 41 N 0.57 1.26 0.04 2.81 1.08 -0.90 0.27 117.51 122.64 2juj h ILE 41 Ca 0.06 -1.10 -0.00 0.00 -0.39 0.00 0.00 64.86 63.43 2juj h ILE 41 Cb 0.86 0.84 0.00 0.00 -3.07 0.00 0.00 36.82 35.45 2juj h ILE 41 CO 0.07 0.40 -0.02 -0.07 -0.69 0.00 0.00 178.15 177.84 2juj h LEU 42 N 0.87 -0.04 -1.34 1.44 -0.00 -1.27 0.57 115.31 115.54 2juj h LEU 42 Ca 0.16 -0.01 0.15 0.00 -0.00 0.00 0.00 57.88 58.18 2juj h LEU 42 Cb 0.52 0.01 -0.07 0.00 -0.00 0.00 0.00 40.66 41.12 2juj h LEU 42 CO 0.03 -0.02 0.57 -0.09 -0.00 0.00 0.00 178.44 178.93 2juj h ARG 43 N -0.07 0.61 0.03 1.13 1.12 -0.63 0.17 114.38 116.73 2juj h ARG 43 Ca -0.01 -0.04 -0.23 0.00 -1.11 0.00 0.00 59.98 58.59 2juj h ARG 43 Cb 0.05 -0.14 -0.03 0.00 -0.01 0.00 0.00 29.97 29.85 2juj h ARG 43 CO 0.01 0.40 -1.14 0.93 -3.11 0.00 0.00 179.97 177.06 2juj h GLU 44 N 0.63 0.06 0.00 0.20 5.08 -0.05 -3.45 114.58 117.05 2juj h GLU 44 Ca 0.45 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 2juj h GLU 44 Cb 0.79 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2juj h GLU 44 CO -0.20 0.99 0.00 1.19 -1.00 0.00 0.00 179.01 179.99 2juj n PHE 45 N -3.35 0.00 -3.55 4.33 3.01 0.20 -5.04 117.46 113.06 2juj n PHE 45 Ca -0.04 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.05 2juj n PHE 45 Cb 0.97 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 40.36 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 -0.02 5.30 0.14 -4.37 0.11 0.41 -5.01 120.40 116.97 2juj s VAL 46 Ca 0.00 0.45 0.08 0.00 -2.93 0.00 0.00 61.98 59.58 2juj s VAL 46 Cb 0.00 -3.60 -0.04 0.00 -1.53 0.00 0.00 36.38 31.21 2juj s VAL 46 CO 0.00 0.34 -0.19 -0.44 -3.33 0.00 0.00 175.10 171.49 2juj s SER 47 N 0.79 2.56 0.23 3.54 0.01 -1.26 -4.10 113.70 115.47 2juj s SER 47 Ca 0.14 -0.80 -0.25 0.00 1.31 0.00 0.00 55.95 56.34 2juj s SER 47 Cb -0.13 -0.14 -0.09 0.00 0.21 0.00 0.00 66.02 65.87 2juj s SER 47 CO 0.04 -0.02 0.84 0.27 0.41 0.00 0.00 173.24 174.79 2juj s ILE 48 N -1.78 4.30 -0.61 1.44 -4.36 -1.26 -4.95 121.20 113.98 2juj s ILE 48 Ca 0.12 1.74 0.11 0.00 -0.26 0.00 0.00 60.65 62.36 2juj s ILE 48 Cb -0.07 -4.10 0.60 0.00 1.25 0.00 0.00 42.46 40.14 2juj s ILE 48 CO 0.05 0.37 1.42 -0.24 0.24 0.00 0.00 174.94 176.79 2juj n SER 49 N 1.16 4.35 -4.24 4.36 2.88 -1.26 -4.82 113.62 116.05 2juj n SER 49 Ca -0.02 -2.62 -0.32 0.00 -1.33 0.00 0.00 58.87 54.58 2juj n SER 49 Cb 0.49 -0.61 -0.16 0.00 -0.75 0.00 0.00 64.21 63.18 2juj n SER 49 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2juj s SER 50 N -0.62 3.26 0.11 -3.46 0.15 -1.26 -5.00 113.70 106.88 2juj s SER 50 Ca 0.40 -0.52 0.20 0.00 0.70 0.00 0.00 55.95 56.73 2juj s SER 50 Cb 0.30 -1.45 0.81 0.00 -1.71 0.00 0.00 66.02 63.97 2juj s SER 50 CO 0.13 0.15 1.61 -2.65 1.20 0.00 0.00 173.24 173.69 2juj n PRO 51 N 3.59 0.09 0.00 5.44 -0.02 -1.26 -4.89 135.00 137.94 2juj n PRO 51 Ca -0.19 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2juj n PRO 51 Cb 0.53 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 2juj n PRO 51 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2juj n ALA 52 N -1.62 0.00 -0.03 3.55 0.00 -1.26 -4.04 120.51 117.11 2juj n ALA 52 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.33 2juj n ALA 52 Cb 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.56 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 0.00 0.17 -3.10 0.00 3.86 -1.98 -3.42 115.15 110.68 2juj h HIS 53 Ca 0.00 -0.08 -0.57 0.00 -1.16 0.00 0.00 60.37 58.56 2juj h HIS 53 Cb 0.00 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.40 2juj h HIS 53 CO 0.00 0.82 1.09 0.08 0.86 0.00 0.00 177.93 180.78 2juj s VAL 54 N -3.36 3.86 -0.44 2.45 1.01 -1.26 -4.81 120.40 117.85 2juj s VAL 54 Ca -0.16 0.91 0.12 0.00 0.00 0.00 0.00 61.98 62.85 2juj s VAL 54 Cb 0.01 -4.05 -0.14 0.00 0.00 0.00 0.00 36.38 32.20 2juj s VAL 54 CO 0.72 -0.59 0.45 0.00 0.00 0.00 0.00 175.10 175.68 2juj n ALA 55 N 8.73 3.31 1.19 5.51 0.00 -1.26 -4.63 120.51 133.36 2juj n ALA 55 Ca 0.17 -0.32 0.13 0.00 0.00 0.00 0.00 53.44 53.42 2juj n ALA 55 Cb 0.47 -0.43 0.27 0.00 0.00 0.00 0.00 19.45 19.76 2juj n ALA 55 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91