#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 3.16 -1.83 0.00 -2.24 -1.26 -4.58 114.28 107.53 2juj n THR 2 Ca 0.00 -1.65 -0.19 0.00 -2.27 0.00 0.00 64.05 59.94 2juj n THR 2 Cb 0.00 -2.10 -0.06 0.00 -2.10 0.00 0.00 70.33 66.08 2juj n THR 2 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2juj n ALA 3 N 2.71 -0.41 -2.18 6.98 0.00 -1.26 -4.91 120.51 121.44 2juj n ALA 3 Ca 0.48 0.25 -0.42 0.00 0.00 0.00 0.00 53.44 53.75 2juj n ALA 3 Cb 0.78 -1.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 2juj n ALA 3 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2juj s SER 4 N -2.39 6.82 0.62 0.00 0.01 -1.26 -4.89 113.70 112.61 2juj s SER 4 Ca 0.00 2.23 0.40 0.00 1.31 0.00 0.00 55.95 59.89 2juj s SER 4 Cb 0.00 -2.57 1.99 0.00 0.21 0.00 0.00 66.02 65.64 2juj s SER 4 CO 0.00 -0.70 2.21 -0.65 0.41 0.00 0.00 173.24 174.51 2juj h PRO 5 N 7.41 0.00 -0.21 12.44 0.11 -1.99 -2.25 132.00 147.51 2juj h PRO 5 Ca -0.40 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.57 2juj h PRO 5 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2juj h PRO 5 CO 0.89 0.00 -0.44 1.96 -0.21 0.00 0.00 178.00 180.19 2juj h GLN 6 N 0.00 0.51 -0.35 1.05 1.08 -1.98 0.16 115.11 115.59 2juj h GLN 6 Ca -0.00 -0.28 -0.10 0.00 -1.45 0.00 0.00 58.65 56.82 2juj h GLN 6 Cb 0.22 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 2juj h GLN 6 CO 0.00 0.86 -0.18 1.25 -0.95 0.00 0.00 178.83 179.81 2juj h LEU 7 N 0.42 0.76 -1.78 1.46 7.12 -1.80 -2.11 115.31 119.38 2juj h LEU 7 Ca 0.03 -0.41 -0.03 0.00 0.13 0.00 0.00 57.88 57.60 2juj h LEU 7 Cb 0.94 -0.21 -0.00 0.00 -0.53 0.00 0.00 40.66 40.86 2juj h LEU 7 CO 0.08 1.00 -0.12 -1.28 -0.13 0.00 0.00 178.44 178.00 2juj h SER 8 N 0.52 0.00 0.29 1.25 0.87 -1.35 -0.97 113.55 114.16 2juj h SER 8 Ca 0.08 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.55 2juj h SER 8 Cb 0.72 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 2juj h SER 8 CO 0.05 0.12 -0.36 0.28 -0.53 0.00 0.00 176.83 176.40 2juj h SER 9 N 0.00 0.10 -0.34 6.23 0.02 -0.05 -2.13 113.55 117.38 2juj h SER 9 Ca -0.00 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 2juj h SER 9 Cb 0.22 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 2juj h SER 9 CO 0.02 0.45 0.17 -0.33 -1.14 0.00 0.00 176.83 176.00 2juj h GLU 10 N 0.09 0.48 -0.18 3.45 4.39 -0.56 -0.04 114.58 122.20 2juj h GLU 10 Ca 0.01 -0.07 0.05 0.00 0.34 0.00 0.00 59.36 59.69 2juj h GLU 10 Cb 0.68 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 29.19 2juj h GLU 10 CO 0.05 0.43 -0.14 0.82 -1.16 0.00 0.00 179.01 179.01 2juj h ILE 11 N 0.41 0.60 -0.07 3.13 5.03 -1.42 -1.76 117.51 123.42 2juj h ILE 11 Ca 0.12 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.88 2juj h ILE 11 Cb 0.10 0.60 -0.00 0.00 -3.03 0.00 0.00 36.82 34.49 2juj h ILE 11 CO -0.02 0.00 0.07 -0.33 -0.68 0.00 0.00 178.15 177.20 2juj h GLU 12 N -0.15 0.00 0.07 2.37 4.39 -0.87 0.14 114.58 120.54 2juj h GLU 12 Ca 0.11 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 2juj h GLU 12 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2juj h GLU 12 CO -0.27 0.00 -0.04 -0.97 -1.16 0.00 0.00 179.01 176.57 2juj h ASN 13 N 0.00 -0.08 1.46 1.42 -0.00 -0.08 -1.70 115.58 116.60 2juj h ASN 13 Ca 0.03 -0.12 -0.09 0.00 -0.00 0.00 0.00 56.30 56.12 2juj h ASN 13 Cb 0.18 0.02 -0.01 0.00 -0.00 0.00 0.00 38.32 38.51 2juj h ASN 13 CO -0.00 0.07 -0.55 0.17 -0.00 0.00 0.00 177.43 177.12 2juj h LEU 14 N -0.24 0.00 -1.75 0.34 -0.00 -1.38 -3.20 115.31 109.07 2juj h LEU 14 Ca -0.01 0.00 0.10 0.00 -0.00 0.00 0.00 57.88 57.97 2juj h LEU 14 Cb 0.20 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.83 2juj h LEU 14 CO 0.02 0.38 0.36 0.24 -0.00 0.00 0.00 178.44 179.45 2juj h MET 15 N 0.00 0.27 -0.02 0.17 2.86 -0.53 -0.75 114.93 116.93 2juj h MET 15 Ca -0.02 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2juj h MET 15 Cb 1.31 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.91 2juj h MET 15 CO 0.05 0.18 0.04 1.03 1.06 0.00 0.00 176.91 179.26 2juj h SER 16 N 0.27 0.00 1.75 1.22 0.87 -1.31 0.57 113.55 116.93 2juj h SER 16 Ca 0.25 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.78 2juj h SER 16 Cb 0.62 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.57 2juj h SER 16 CO -0.05 0.00 -0.15 1.56 -0.53 0.00 0.00 176.83 177.66 2juj h GLN 17 N 0.00 0.00 0.00 2.24 4.20 -1.34 -3.47 115.11 116.74 2juj h GLN 17 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2juj h GLN 17 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 2juj h GLN 17 CO -0.00 0.15 0.00 0.41 -0.67 0.00 0.00 178.83 178.72 2juj n GLY 18 N 1.02 0.95 3.45 3.46 0.00 0.19 -5.00 105.19 109.27 2juj n GLY 18 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.52 -1.05 -3.77 1.61 4.01 -1.25 -4.88 117.16 111.31 2juj n TYR 19 Ca 0.00 0.01 -0.36 0.00 -0.16 0.00 0.00 57.90 57.38 2juj n TYR 19 Cb 0.00 -1.71 -0.07 0.00 -0.31 0.00 0.00 39.34 37.25 2juj n TYR 19 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2juj s SER 20 N -2.28 6.35 0.42 7.72 1.04 -1.26 -4.89 113.70 120.81 2juj s SER 20 Ca 0.65 0.41 0.11 0.00 0.48 0.00 0.00 55.95 57.59 2juj s SER 20 Cb -0.22 -2.10 0.91 0.00 0.10 0.00 0.00 66.02 64.71 2juj s SER 20 CO 0.65 0.29 1.99 1.88 0.98 0.00 0.00 173.24 179.03 2juj h TYR 21 N 5.77 0.23 -0.14 5.02 0.05 -1.97 0.39 116.97 126.33 2juj h TYR 21 Ca -0.48 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.28 2juj h TYR 21 Cb 1.19 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.86 2juj h TYR 21 CO 0.67 0.28 0.07 -0.56 -1.05 0.00 0.00 178.16 177.57 2juj h GLN 22 N 0.22 0.20 0.00 4.88 3.07 -1.99 -0.07 115.11 121.41 2juj h GLN 22 Ca 0.05 -0.03 -0.21 0.00 0.09 0.00 0.00 58.65 58.55 2juj h GLN 22 Cb 0.22 -0.04 -0.03 0.00 0.08 0.00 0.00 27.48 27.72 2juj h GLN 22 CO 0.01 0.24 -1.10 -0.44 0.09 0.00 0.00 178.83 177.63 2juj h ASP 23 N 0.10 0.00 -0.22 0.06 3.32 -1.90 -2.38 116.42 115.41 2juj h ASP 23 Ca 0.05 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.13 2juj h ASP 23 Cb 0.11 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 2juj h ASP 23 CO -0.01 0.90 0.03 0.40 -1.72 0.00 0.00 179.24 178.84 2juj h ILE 24 N 0.00 0.88 -0.84 0.35 2.04 -0.11 0.22 117.51 120.05 2juj h ILE 24 Ca -0.08 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 2juj h ILE 24 Cb 1.75 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 38.56 2juj h ILE 24 CO 0.10 0.02 0.39 -0.61 0.00 0.00 0.00 178.15 178.06 2juj h GLN 25 N 0.10 1.21 -0.78 2.37 4.15 -1.01 -1.48 115.11 119.67 2juj h GLN 25 Ca 0.10 -0.18 0.08 0.00 0.77 0.00 0.00 58.65 59.42 2juj h GLN 25 Cb 0.11 -0.22 -0.07 0.00 0.21 0.00 0.00 27.48 27.52 2juj h GLN 25 CO -0.15 0.94 0.44 -0.22 -1.93 0.00 0.00 178.83 177.90 2juj h LYS 26 N 1.20 0.73 -0.64 1.69 3.64 -0.82 -0.60 116.57 121.77 2juj h LYS 26 Ca 0.29 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.57 2juj h LYS 26 Cb 0.13 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 2juj h LYS 26 CO -0.03 0.49 0.20 0.00 -2.27 0.00 0.00 179.45 177.83 2juj h ALA 27 N 1.42 0.83 -0.76 5.00 0.00 0.04 -2.99 119.26 122.80 2juj h ALA 27 Ca 0.37 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 2juj h ALA 27 Cb 0.31 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2juj h ALA 27 CO -0.23 0.50 0.27 -0.07 0.00 0.00 0.00 179.25 179.73 2juj h LEU 28 N 0.91 1.08 -1.42 0.00 3.38 -0.21 0.37 115.31 119.42 2juj h LEU 28 Ca 0.21 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2juj h LEU 28 Cb 0.29 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2juj h LEU 28 CO -0.01 0.98 -0.20 -0.37 0.09 0.00 0.00 178.44 178.94 2juj h VAL 29 N 1.12 1.19 0.04 1.22 -1.51 -1.02 0.28 116.25 117.56 2juj h VAL 29 Ca 0.25 -0.85 -0.29 0.00 -1.23 0.00 0.00 66.70 64.58 2juj h VAL 29 Cb 0.26 1.34 -0.03 0.00 -2.13 0.00 0.00 31.29 30.73 2juj h VAL 29 CO -0.01 0.26 -1.56 -0.29 -1.23 0.00 0.00 177.57 174.73 2juj h ILE 30 N 0.13 1.06 -0.18 7.19 -0.00 -1.39 -3.33 117.51 120.99 2juj h ILE 30 Ca 0.02 -2.83 0.00 0.00 -0.00 0.00 0.00 64.86 62.06 2juj h ILE 30 Cb 0.43 2.58 0.00 0.00 -0.00 0.00 0.00 36.82 39.83 2juj h ILE 30 CO 0.03 0.69 0.00 0.00 -0.00 0.00 0.00 178.15 178.87 2juj n ALA 31 N -2.58 2.49 -4.32 0.18 0.00 0.13 -4.88 120.51 111.53 2juj n ALA 31 Ca -0.15 -0.36 -0.38 0.00 0.00 0.00 0.00 53.44 52.56 2juj n ALA 31 Cb 1.03 -1.03 -0.04 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 0.04 -2.40 -3.19 0.00 0.00 0.60 -1.13 117.38 111.30 2juj n GLN 32 Ca 0.09 0.30 -0.14 0.00 0.00 0.00 0.00 57.00 57.24 2juj n GLN 32 Cb 0.18 -4.95 0.07 0.00 0.00 0.00 0.00 30.24 25.54 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 -2.61 -4.27 -4.82 2.61 4.13 0.66 -4.88 115.26 106.08 2juj n ASN 33 Ca 0.07 -0.61 -0.33 0.00 1.68 0.00 0.00 54.58 55.39 2juj n ASN 33 Cb 0.49 -4.75 -0.06 0.00 -1.54 0.00 0.00 39.78 33.91 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 -3.77 5.89 0.04 6.41 -0.87 -0.28 -4.95 114.94 117.41 2juj s ASN 34 Ca 0.22 0.22 -0.31 0.00 -1.57 0.00 0.00 52.86 51.42 2juj s ASN 34 Cb -0.03 -1.75 -0.18 0.00 -0.02 0.00 0.00 41.25 39.27 2juj s ASN 34 CO 0.67 0.28 1.42 -0.29 -2.57 0.00 0.00 177.10 176.61 2juj h ILE 35 N 3.21 0.24 0.05 0.60 2.10 -1.94 -2.85 117.51 118.92 2juj h ILE 35 Ca -0.50 -0.17 -0.00 0.00 1.08 0.00 0.00 64.86 65.27 2juj h ILE 35 Cb 1.19 0.29 0.00 0.00 -1.09 0.00 0.00 36.82 37.21 2juj h ILE 35 CO 0.63 0.02 -0.02 -0.33 -1.08 0.00 0.00 178.15 177.37 2juj h GLU 36 N -1.06 -0.07 -0.06 2.19 5.08 -1.97 -2.94 114.58 115.75 2juj h GLU 36 Ca -0.10 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 2juj h GLU 36 Cb 0.74 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2juj h GLU 36 CO 0.16 0.35 -0.21 1.98 -1.00 0.00 0.00 179.01 180.28 2juj h MET 37 N -0.50 0.11 0.09 2.33 4.05 -1.91 0.15 114.93 119.26 2juj h MET 37 Ca -0.01 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.38 2juj h MET 37 Cb 0.44 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.23 2juj h MET 37 CO 0.01 0.32 -0.05 0.00 0.23 0.00 0.00 176.91 177.42 2juj h ALA 38 N 1.69 -0.13 0.00 0.39 0.00 -1.56 -0.71 119.26 118.94 2juj h ALA 38 Ca 0.02 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2juj h ALA 38 Cb 0.43 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2juj h ALA 38 CO 0.03 -0.28 -0.17 1.57 0.00 0.00 0.00 179.25 180.39 2juj h LYS 39 N -0.70 0.00 0.00 0.00 2.10 -1.28 -1.09 116.57 115.60 2juj h LYS 39 Ca -0.01 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.45 2juj h LYS 39 Cb 0.55 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.86 2juj h LYS 39 CO 0.02 0.17 -0.85 -0.91 -2.00 0.00 0.00 179.45 175.89 2juj h ASN 40 N 0.00 0.09 -0.19 7.07 2.35 -0.70 -0.24 115.58 123.96 2juj h ASN 40 Ca -0.00 -0.08 -0.16 0.00 -0.55 0.00 0.00 56.30 55.51 2juj h ASN 40 Cb 0.33 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 2juj h ASN 40 CO 0.02 0.89 -0.48 0.40 -1.65 0.00 0.00 177.43 176.61 2juj h ILE 41 N 0.04 1.29 -0.15 2.81 1.08 -0.19 0.14 117.51 122.53 2juj h ILE 41 Ca -0.02 -1.68 0.00 0.00 -0.39 0.00 0.00 64.86 62.77 2juj h ILE 41 Cb 1.48 1.58 -0.01 0.00 -3.07 0.00 0.00 36.82 36.81 2juj h ILE 41 CO 0.12 0.54 0.09 -0.07 -0.69 0.00 0.00 178.15 178.14 2juj h LEU 42 N 0.60 0.17 -0.73 1.44 -0.00 -1.17 0.87 115.31 116.49 2juj h LEU 42 Ca 0.03 -0.02 0.16 0.00 -0.00 0.00 0.00 57.88 58.04 2juj h LEU 42 Cb 1.05 -0.04 -0.13 0.00 -0.00 0.00 0.00 40.66 41.54 2juj h LEU 42 CO 0.10 0.14 -0.09 -0.09 -0.00 0.00 0.00 178.44 178.51 2juj h ARG 43 N 0.18 0.04 -0.05 1.13 9.65 -0.77 -0.27 114.38 124.29 2juj h ARG 43 Ca 0.05 -0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 58.78 2juj h ARG 43 Cb -0.00 -0.01 0.01 0.00 -1.39 0.00 0.00 29.97 28.58 2juj h ARG 43 CO -0.01 0.03 -0.56 0.93 2.80 0.00 0.00 179.97 183.16 2juj h GLU 44 N 0.05 0.46 0.00 0.20 4.39 -0.32 -3.44 114.58 115.91 2juj h GLU 44 Ca 0.38 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2juj h GLU 44 Cb 0.62 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 2juj h GLU 44 CO -0.70 1.08 0.00 1.19 -1.16 0.00 0.00 179.01 179.41 2juj n PHE 45 N -4.23 0.00 -3.70 4.33 3.01 0.30 -4.99 117.46 112.17 2juj n PHE 45 Ca -0.09 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.01 2juj n PHE 45 Cb 0.64 -0.03 -0.09 0.00 -0.01 0.00 0.00 39.48 39.99 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 -0.51 5.30 0.58 -4.37 0.11 -0.17 -5.01 120.40 116.33 2juj s VAL 46 Ca 0.00 0.16 0.09 0.00 -2.93 0.00 0.00 61.98 59.29 2juj s VAL 46 Cb 0.00 -3.46 0.09 0.00 -1.53 0.00 0.00 36.38 31.48 2juj s VAL 46 CO 0.00 0.37 0.80 -0.94 -3.33 0.00 0.00 175.10 172.01 2juj s SER 47 N 0.89 5.05 -1.25 3.54 1.04 -1.26 -4.23 113.70 117.48 2juj s SER 47 Ca 0.07 -0.79 -0.16 0.00 0.48 0.00 0.00 55.95 55.56 2juj s SER 47 Cb -0.13 0.24 0.12 0.00 0.10 0.00 0.00 66.02 66.35 2juj s SER 47 CO 0.03 -1.37 1.57 -0.63 0.98 0.00 0.00 173.24 173.82 2juj s ILE 48 N -2.70 4.59 -0.30 -1.02 1.01 -1.26 -4.82 121.20 116.70 2juj s ILE 48 Ca 0.62 -2.27 -0.03 0.00 0.00 0.00 0.00 60.65 58.97 2juj s ILE 48 Cb -0.06 -5.05 0.06 0.00 0.01 0.00 0.00 42.46 37.42 2juj s ILE 48 CO 0.39 -1.81 2.59 -1.54 0.00 0.00 0.00 174.94 174.56 2juj n SER 49 N 6.98 6.18 -4.49 3.58 3.41 -1.26 -4.86 113.62 123.17 2juj n SER 49 Ca 0.42 -2.98 -0.35 0.00 -0.26 0.00 0.00 58.87 55.71 2juj n SER 49 Cb 0.44 -1.19 -0.12 0.00 -0.26 0.00 0.00 64.21 63.08 2juj n SER 49 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2juj s SER 50 N 0.69 5.05 0.00 4.04 0.15 -1.26 -4.97 113.70 117.40 2juj s SER 50 Ca 0.46 -0.14 0.24 0.00 0.70 0.00 0.00 55.95 57.21 2juj s SER 50 Cb 0.29 -1.87 0.19 0.00 -1.71 0.00 0.00 66.02 62.93 2juj s SER 50 CO -0.09 0.07 1.25 -0.81 1.20 0.00 0.00 173.24 174.86 2juj n PRO 51 N 4.18 2.04 0.00 5.44 -0.04 -1.26 -5.09 135.00 140.28 2juj n PRO 51 Ca -0.17 -1.67 0.00 0.00 -0.04 0.00 0.00 63.50 61.62 2juj n PRO 51 Cb 0.52 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 2juj n PRO 51 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2juj n ALA 52 N 0.98 0.00 -2.69 0.55 0.00 -1.26 -4.80 120.51 113.28 2juj n ALA 52 Ca 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.51 2juj n ALA 52 Cb 0.56 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.12 2juj n ALA 52 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2juj n HIS 53 N -1.42 -2.29 -1.09 0.00 -0.00 -1.26 -4.93 115.22 104.23 2juj n HIS 53 Ca 0.00 -1.81 0.01 0.00 0.46 0.00 0.00 57.72 56.38 2juj n HIS 53 Cb 0.00 1.57 0.01 0.00 -0.12 0.00 0.00 29.99 31.46 2juj n HIS 53 CO 0.00 0.00 0.00 1.33 0.46 0.00 0.00 176.34 178.13 2juj n VAL 54 N -0.65 0.37 -1.61 3.57 0.24 -1.26 -4.99 118.33 114.00 2juj n VAL 54 Ca -0.06 -0.41 -0.19 0.00 -2.04 0.00 0.00 64.34 61.65 2juj n VAL 54 Cb 0.84 0.66 -0.08 0.00 -1.47 0.00 0.00 33.84 33.79 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 -0.23 -0.31 -1.83 2.33 0.00 -1.26 -5.33 120.51 113.87 2juj n ALA 55 Ca 0.02 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2juj n ALA 55 Cb 0.52 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.02 2juj n ALA 55 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75