#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2juj s THR 2 N 0.00 4.84 0.32 0.00 2.01 -1.26 -4.87 115.64 116.69 2juj s THR 2 Ca 0.00 1.93 0.00 0.00 0.31 0.00 0.00 61.69 63.93 2juj s THR 2 Cb 0.00 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 68.25 2juj s THR 2 CO 0.00 0.21 0.00 0.00 -0.69 0.00 0.00 174.62 174.14 2juj n ALA 3 N 3.66 -2.91 -3.36 7.40 0.00 -1.26 -4.83 120.51 119.22 2juj n ALA 3 Ca 0.04 0.45 -0.34 0.00 0.00 0.00 0.00 53.44 53.59 2juj n ALA 3 Cb 0.51 -1.06 -0.14 0.00 0.00 0.00 0.00 19.45 18.75 2juj n ALA 3 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2juj s SER 4 N -6.38 3.97 0.49 0.00 0.15 -1.26 -4.98 113.70 105.68 2juj s SER 4 Ca 0.00 -0.40 0.25 0.00 0.70 0.00 0.00 55.95 56.51 2juj s SER 4 Cb 0.00 -1.63 1.24 0.00 -1.71 0.00 0.00 66.02 63.92 2juj s SER 4 CO 0.00 0.08 1.98 1.55 1.20 0.00 0.00 173.24 178.05 2juj h PRO 5 N 7.33 0.00 0.14 5.44 0.13 -1.98 0.64 132.00 143.69 2juj h PRO 5 Ca -0.33 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.51 2juj h PRO 5 Cb 1.19 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 2juj h PRO 5 CO 0.58 0.17 -1.32 1.96 -0.23 0.00 0.00 178.00 179.16 2juj h GLN 6 N 0.00 0.29 -0.37 0.86 1.08 -1.98 -0.93 115.11 114.07 2juj h GLN 6 Ca -0.00 -0.50 -0.09 0.00 -1.45 0.00 0.00 58.65 56.61 2juj h GLN 6 Cb 0.48 0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 28.09 2juj h GLN 6 CO 0.02 1.22 -0.12 1.25 -0.95 0.00 0.00 178.83 180.26 2juj h LEU 7 N 0.08 0.74 -1.63 1.46 7.12 -1.91 -2.46 115.31 118.71 2juj h LEU 7 Ca -0.17 -0.38 0.01 0.00 0.13 0.00 0.00 57.88 57.47 2juj h LEU 7 Cb 2.00 -0.20 -0.02 0.00 -0.53 0.00 0.00 40.66 41.91 2juj h LEU 7 CO 0.20 0.95 0.26 -1.28 -0.13 0.00 0.00 178.44 178.44 2juj h SER 8 N 0.52 0.43 0.14 1.25 0.87 -0.85 -0.75 113.55 115.17 2juj h SER 8 Ca 0.09 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.59 2juj h SER 8 Cb 0.64 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 2juj h SER 8 CO 0.04 0.31 -0.18 0.28 -0.53 0.00 0.00 176.83 176.75 2juj h SER 9 N 0.51 0.08 -0.39 6.23 0.02 -0.72 -1.68 113.55 117.59 2juj h SER 9 Ca 0.15 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2juj h SER 9 Cb -0.03 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 2juj h SER 9 CO -0.03 0.27 0.24 -0.33 -1.14 0.00 0.00 176.83 175.84 2juj h GLU 10 N 0.08 0.53 -0.50 3.45 4.39 -0.70 -0.29 114.58 121.54 2juj h GLU 10 Ca 0.01 -0.04 0.06 0.00 0.34 0.00 0.00 59.36 59.73 2juj h GLU 10 Cb 0.37 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.86 2juj h GLU 10 CO 0.03 0.38 0.21 0.82 -1.16 0.00 0.00 179.01 179.29 2juj h ILE 11 N 0.52 0.88 -0.05 3.13 5.03 -1.35 -1.30 117.51 124.37 2juj h ILE 11 Ca 0.14 -0.14 0.02 0.00 -0.12 0.00 0.00 64.86 64.76 2juj h ILE 11 Cb -0.01 0.44 -0.00 0.00 -3.03 0.00 0.00 36.82 34.21 2juj h ILE 11 CO -0.03 0.07 0.05 -0.33 -0.68 0.00 0.00 178.15 177.24 2juj h GLU 12 N 0.41 0.00 0.12 2.37 5.08 -0.45 0.50 114.58 122.60 2juj h GLU 12 Ca 0.23 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 2juj h GLU 12 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2juj h GLU 12 CO -0.21 0.00 -0.06 -0.97 -1.00 0.00 0.00 179.01 176.78 2juj h ASN 13 N 0.00 -0.13 1.65 1.42 -0.73 0.14 -2.20 115.58 115.72 2juj h ASN 13 Ca 0.03 -0.14 -0.07 0.00 1.87 0.00 0.00 56.30 57.98 2juj h ASN 13 Cb 0.13 0.03 -0.01 0.00 0.27 0.00 0.00 38.32 38.75 2juj h ASN 13 CO -0.00 0.06 -0.34 0.17 -0.37 0.00 0.00 177.43 176.95 2juj h LEU 14 N -0.33 0.00 -1.41 0.34 -0.00 -1.41 -3.16 115.31 109.34 2juj h LEU 14 Ca -0.02 0.00 0.06 0.00 -0.00 0.00 0.00 57.88 57.92 2juj h LEU 14 Cb 0.27 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.89 2juj h LEU 14 CO 0.03 0.34 0.45 0.24 -0.00 0.00 0.00 178.44 179.50 2juj h MET 15 N 0.00 0.71 0.00 0.17 2.86 -0.77 -1.02 114.93 116.87 2juj h MET 15 Ca -0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2juj h MET 15 Cb 1.26 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.76 2juj h MET 15 CO 0.04 0.47 0.00 0.45 1.06 0.00 0.00 176.91 178.93 2juj n SER 16 N -4.47 0.00 0.05 1.22 2.88 -0.84 -1.62 113.62 110.83 2juj n SER 16 Ca 0.09 -0.77 0.11 0.00 -1.33 0.00 0.00 58.87 56.98 2juj n SER 16 Cb 0.20 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.62 2juj n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2juj n GLN 17 N -0.94 0.51 0.00 -1.46 6.02 -0.39 -4.96 117.38 116.16 2juj n GLN 17 Ca 0.14 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 2juj n GLN 17 Cb 0.07 -1.66 0.00 0.00 1.02 0.00 0.00 30.24 29.66 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 1.27 0.86 3.58 1.08 0.00 -0.64 -5.03 105.19 106.31 2juj n GLY 18 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 1.66 -0.19 1.61 2.02 -1.25 -4.91 117.35 114.28 2juj s TYR 19 Ca 0.00 1.28 -0.08 0.00 -0.37 0.00 0.00 57.07 57.89 2juj s TYR 19 Cb 0.00 -3.17 -0.04 0.00 -0.40 0.00 0.00 41.96 38.34 2juj s TYR 19 CO 0.00 -3.32 0.09 -1.12 -1.57 0.00 0.00 175.55 169.63 2juj s SER 20 N -2.82 5.90 0.45 2.29 0.01 -1.26 -4.87 113.70 113.40 2juj s SER 20 Ca 0.67 0.16 0.14 0.00 1.31 0.00 0.00 55.95 58.22 2juj s SER 20 Cb -0.23 -2.02 1.02 0.00 0.21 0.00 0.00 66.02 65.01 2juj s SER 20 CO 0.61 0.19 2.02 0.10 0.41 0.00 0.00 173.24 176.56 2juj h TYR 21 N 6.62 0.05 -0.02 2.43 -0.00 -1.97 -0.12 116.97 123.95 2juj h TYR 21 Ca -0.39 -0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.33 2juj h TYR 21 Cb 1.16 -0.02 -0.00 0.00 0.00 0.00 0.00 36.73 37.87 2juj h TYR 21 CO 0.57 0.17 0.01 -0.56 -0.00 0.00 0.00 178.16 178.35 2juj h GLN 22 N 0.05 0.03 -0.02 0.10 3.07 -1.99 0.70 115.11 117.05 2juj h GLN 22 Ca 0.01 -0.01 -0.15 0.00 0.09 0.00 0.00 58.65 58.59 2juj h GLN 22 Cb 0.25 -0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.79 2juj h GLN 22 CO 0.02 0.24 -0.67 -0.44 0.09 0.00 0.00 178.83 178.07 2juj h ASP 23 N -0.18 0.11 -0.33 0.06 3.32 -1.92 -1.81 116.42 115.67 2juj h ASP 23 Ca 0.01 -0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.03 2juj h ASP 23 Cb 0.22 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 2juj h ASP 23 CO -0.00 0.74 0.09 0.40 -1.72 0.00 0.00 179.24 178.75 2juj h ILE 24 N 0.06 0.87 -0.59 0.35 2.04 -0.77 0.49 117.51 119.95 2juj h ILE 24 Ca -0.01 -0.07 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 2juj h ILE 24 Cb 1.19 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 2juj h ILE 24 CO 0.09 0.04 0.12 -0.61 0.00 0.00 0.00 178.15 177.79 2juj h GLN 25 N 0.21 0.93 -0.70 2.37 -0.00 -0.72 -1.68 115.11 115.52 2juj h GLN 25 Ca 0.15 -0.21 -0.00 0.00 -0.00 0.00 0.00 58.65 58.59 2juj h GLN 25 Cb 0.15 -0.13 -0.03 0.00 0.00 0.00 0.00 27.48 27.47 2juj h GLN 25 CO -0.18 0.85 0.43 -0.22 0.00 0.00 0.00 178.83 179.71 2juj h LYS 26 N 0.88 0.94 -0.57 1.69 3.64 -0.55 -1.92 116.57 120.68 2juj h LYS 26 Ca 0.19 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2juj h LYS 26 Cb 0.36 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 2juj h LYS 26 CO 0.00 0.65 0.28 0.00 -2.27 0.00 0.00 179.45 178.11 2juj h ALA 27 N 1.23 1.41 -0.61 5.00 0.00 0.53 -2.72 119.26 124.11 2juj h ALA 27 Ca 0.25 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2juj h ALA 27 Cb -0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2juj h ALA 27 CO -0.05 0.47 0.03 -0.07 0.00 0.00 0.00 179.25 179.62 2juj h LEU 28 N 0.80 1.01 -1.23 0.00 3.38 -0.56 0.51 115.31 119.22 2juj h LEU 28 Ca 0.20 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 2juj h LEU 28 Cb 0.08 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2juj h LEU 28 CO -0.03 1.05 -0.34 -0.37 0.09 0.00 0.00 178.44 178.84 2juj h VAL 29 N 0.96 1.26 0.00 1.22 -1.51 -1.12 0.37 116.25 117.43 2juj h VAL 29 Ca 0.18 -1.23 -0.19 0.00 -1.23 0.00 0.00 66.70 64.23 2juj h VAL 29 Cb 0.52 1.61 -0.03 0.00 -2.13 0.00 0.00 31.29 31.26 2juj h VAL 29 CO 0.02 0.36 -1.18 -0.29 -1.23 0.00 0.00 177.57 175.25 2juj h ILE 30 N 0.06 0.88 -0.48 7.19 -0.00 -1.44 -3.32 117.51 120.40 2juj h ILE 30 Ca 0.01 -2.45 0.00 0.00 -0.00 0.00 0.00 64.86 62.41 2juj h ILE 30 Cb 0.64 2.35 0.00 0.00 -0.00 0.00 0.00 36.82 39.81 2juj h ILE 30 CO 0.05 0.50 0.00 0.00 -0.00 0.00 0.00 178.15 178.70 2juj n ALA 31 N -2.38 2.49 -4.13 0.18 0.00 0.16 -4.90 120.51 111.92 2juj n ALA 31 Ca -0.07 -0.88 -0.35 0.00 0.00 0.00 0.00 53.44 52.15 2juj n ALA 31 Cb 0.88 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 19.33 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 0.88 -2.84 -3.31 0.00 0.00 0.04 -0.65 117.38 111.51 2juj n GLN 32 Ca 0.16 0.34 -0.16 0.00 0.00 0.00 0.00 57.00 57.34 2juj n GLN 32 Cb 0.44 -5.05 0.08 0.00 0.00 0.00 0.00 30.24 25.71 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 -2.55 -2.71 -4.89 2.61 4.13 0.11 -5.03 115.26 106.93 2juj n ASN 33 Ca 0.08 -0.54 -0.31 0.00 1.68 0.00 0.00 54.58 55.48 2juj n ASN 33 Cb 0.49 -4.61 -0.05 0.00 -1.54 0.00 0.00 39.78 34.07 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 -4.05 6.51 -0.03 6.41 0.01 0.17 -5.03 114.94 118.94 2juj s ASN 34 Ca 0.09 0.67 -0.23 0.00 -0.71 0.00 0.00 52.86 52.68 2juj s ASN 34 Cb -0.04 -2.12 -0.17 0.00 0.41 0.00 0.00 41.25 39.33 2juj s ASN 34 CO 0.65 -0.01 1.05 -0.29 -1.51 0.00 0.00 177.10 176.99 2juj h ILE 35 N 1.94 0.91 -0.11 0.60 2.10 -1.92 -3.10 117.51 117.93 2juj h ILE 35 Ca -0.46 -0.99 -0.08 0.00 1.08 0.00 0.00 64.86 64.41 2juj h ILE 35 Cb 1.17 1.45 0.00 0.00 -1.09 0.00 0.00 36.82 38.35 2juj h ILE 35 CO 0.71 0.21 -0.23 -0.33 -1.08 0.00 0.00 178.15 177.42 2juj h GLU 36 N -0.76 0.35 -0.05 2.19 5.08 -1.96 -2.48 114.58 116.94 2juj h GLU 36 Ca -0.02 -0.23 -0.09 0.00 -1.00 0.00 0.00 59.36 58.01 2juj h GLU 36 Cb 0.52 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2juj h GLU 36 CO 0.04 0.83 -0.39 1.98 -1.00 0.00 0.00 179.01 180.47 2juj h MET 37 N -0.09 0.10 0.08 2.33 4.05 -1.91 -1.05 114.93 118.45 2juj h MET 37 Ca 0.00 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.37 2juj h MET 37 Cb 0.83 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.63 2juj h MET 37 CO 0.05 0.49 -0.04 0.00 0.23 0.00 0.00 176.91 177.64 2juj h ALA 38 N 1.51 -0.10 0.00 0.39 0.00 -1.54 -0.89 119.26 118.63 2juj h ALA 38 Ca 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2juj h ALA 38 Cb 0.74 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2juj h ALA 38 CO 0.06 -0.29 -0.05 1.57 0.00 0.00 0.00 179.25 180.53 2juj h LYS 39 N -0.64 0.00 0.04 0.00 2.10 -1.32 -1.05 116.57 115.70 2juj h LYS 39 Ca -0.01 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.40 2juj h LYS 39 Cb 0.53 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.86 2juj h LYS 39 CO 0.02 0.05 -1.03 -0.91 -2.00 0.00 0.00 179.45 175.58 2juj h ASN 40 N 0.00 0.42 -0.31 7.07 2.35 -1.14 -1.98 115.58 121.98 2juj h ASN 40 Ca -0.00 -0.37 -0.11 0.00 -0.55 0.00 0.00 56.30 55.26 2juj h ASN 40 Cb 0.09 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 2juj h ASN 40 CO 0.01 1.21 -0.21 0.40 -1.65 0.00 0.00 177.43 177.19 2juj h ILE 41 N 0.14 1.27 -0.04 2.81 1.08 -0.26 0.90 117.51 123.41 2juj h ILE 41 Ca -0.09 -1.32 0.01 0.00 -0.39 0.00 0.00 64.86 63.08 2juj h ILE 41 Cb 1.70 1.18 -0.01 0.00 -3.07 0.00 0.00 36.82 36.61 2juj h ILE 41 CO 0.17 0.44 -0.04 -0.07 -0.69 0.00 0.00 178.15 177.96 2juj h LEU 42 N 0.69 -0.11 -2.01 1.44 3.38 -1.21 0.88 115.31 118.38 2juj h LEU 42 Ca 0.10 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.25 2juj h LEU 42 Cb 0.72 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 2juj h LEU 42 CO 0.06 -0.05 0.43 -0.09 0.09 0.00 0.00 178.44 178.88 2juj h ARG 43 N -0.05 0.00 0.12 1.13 1.12 -0.75 0.22 114.38 116.17 2juj h ARG 43 Ca 0.03 0.00 -0.34 0.00 -1.11 0.00 0.00 59.98 58.56 2juj h ARG 43 Cb 0.09 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.03 2juj h ARG 43 CO -0.07 0.00 -1.85 0.93 -3.11 0.00 0.00 179.97 175.87 2juj h GLU 44 N 0.00 0.26 0.00 0.20 5.08 -0.07 -3.45 114.58 116.60 2juj h GLU 44 Ca 0.26 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2juj h GLU 44 Cb 1.13 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2juj h GLU 44 CO -0.00 1.21 0.00 1.19 -1.00 0.00 0.00 179.01 180.41 2juj n PHE 45 N -3.63 0.00 -3.82 4.33 3.01 0.30 -4.99 117.46 112.66 2juj n PHE 45 Ca -0.31 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 57.80 2juj n PHE 45 Cb 1.00 -0.06 -0.10 0.00 -0.01 0.00 0.00 39.48 40.31 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 -0.54 5.00 0.42 -4.37 0.11 0.67 -5.01 120.40 116.67 2juj s VAL 46 Ca 0.00 0.05 0.08 0.00 -2.93 0.00 0.00 61.98 59.18 2juj s VAL 46 Cb 0.00 -3.30 -0.01 0.00 -1.53 0.00 0.00 36.38 31.54 2juj s VAL 46 CO 0.00 0.40 0.44 -0.94 -3.33 0.00 0.00 175.10 171.67 2juj s SER 47 N 0.80 5.26 -1.12 3.54 1.04 -1.26 -4.08 113.70 117.87 2juj s SER 47 Ca 0.06 -0.63 -0.17 0.00 0.48 0.00 0.00 55.95 55.68 2juj s SER 47 Cb -0.13 -0.60 0.12 0.00 0.10 0.00 0.00 66.02 65.51 2juj s SER 47 CO 0.02 -0.69 1.41 -0.63 0.98 0.00 0.00 173.24 174.34 2juj s ILE 48 N -2.43 4.61 -0.41 -1.02 1.01 -1.26 -4.73 121.20 116.96 2juj s ILE 48 Ca 0.50 -1.93 0.05 0.00 0.00 0.00 0.00 60.65 59.27 2juj s ILE 48 Cb -0.05 -4.95 0.52 0.00 0.01 0.00 0.00 42.46 37.98 2juj s ILE 48 CO 0.30 -1.72 1.64 -0.24 0.00 0.00 0.00 174.94 174.92 2juj n SER 49 N 6.91 4.39 -4.78 3.58 2.88 -1.26 -4.98 113.62 120.36 2juj n SER 49 Ca 0.35 -3.75 -0.38 0.00 -1.33 0.00 0.00 58.87 53.76 2juj n SER 49 Cb 0.46 -0.70 -0.06 0.00 -0.75 0.00 0.00 64.21 63.16 2juj n SER 49 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2juj s SER 50 N -2.33 7.34 -0.84 -3.46 1.04 -1.26 -4.94 113.70 109.25 2juj s SER 50 Ca 0.53 1.70 -0.05 0.00 0.48 0.00 0.00 55.95 58.60 2juj s SER 50 Cb 0.45 -2.52 -0.06 0.00 0.10 0.00 0.00 66.02 63.99 2juj s SER 50 CO 0.02 0.08 2.12 -2.65 0.98 0.00 0.00 173.24 173.79 2juj n PRO 51 N 1.06 2.00 0.14 4.02 -0.02 -1.26 -4.36 135.00 136.58 2juj n PRO 51 Ca -0.02 -1.38 0.12 0.00 -2.02 0.00 0.00 63.50 60.20 2juj n PRO 51 Cb 0.49 -2.39 0.18 0.00 -0.02 0.00 0.00 33.50 31.77 2juj n PRO 51 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2juj h ALA 52 N 6.15 0.81 -6.02 3.55 0.00 -1.96 -3.48 119.26 118.32 2juj h ALA 52 Ca 0.46 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 55.02 2juj h ALA 52 Cb 0.21 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2juj h ALA 52 CO 1.35 0.00 -0.92 -2.39 0.00 0.00 0.00 179.25 177.29 2juj n HIS 53 N -2.65 -1.85 -2.84 0.00 1.44 -1.26 -4.88 115.22 103.19 2juj n HIS 53 Ca 0.03 0.77 -0.41 0.00 -2.01 0.00 0.00 57.72 56.10 2juj n HIS 53 Cb 0.50 -1.78 -0.04 0.00 0.12 0.00 0.00 29.99 28.80 2juj n HIS 53 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 2juj s VAL 54 N -1.98 4.91 -0.26 0.61 -7.23 -1.26 -5.03 120.40 110.16 2juj s VAL 54 Ca 0.15 1.79 -0.04 0.00 -1.81 0.00 0.00 61.98 62.08 2juj s VAL 54 Cb -0.02 -4.20 0.01 0.00 0.56 0.00 0.00 36.38 32.74 2juj s VAL 54 CO 0.70 0.14 -0.01 0.00 -0.31 0.00 0.00 175.10 175.62 2juj s ALA 55 N 1.29 2.84 0.00 1.32 0.00 -1.26 -5.30 121.76 120.65 2juj s ALA 55 Ca 0.45 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 51.00 2juj s ALA 55 Cb -0.19 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.09 2juj s ALA 55 CO 0.21 -0.78 0.00 -2.37 0.00 0.00 0.00 175.76 172.82