#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 0.00 -0.12 0.00 -1.32 -1.26 -5.03 115.64 107.91 2juj s THR 2 Ca 0.00 0.00 0.19 0.00 -1.21 0.00 0.00 61.69 60.67 2juj s THR 2 Cb 0.00 -1.00 -0.27 0.00 -1.51 0.00 0.00 72.50 69.72 2juj s THR 2 CO 0.00 0.00 0.34 0.00 -2.21 0.00 0.00 174.62 172.75 2juj n ALA 3 N 1.84 2.06 -2.68 11.08 0.00 -1.26 -4.92 120.51 126.63 2juj n ALA 3 Ca -0.11 -0.91 -0.36 0.00 0.00 0.00 0.00 53.44 52.06 2juj n ALA 3 Cb 0.56 -0.52 -0.09 0.00 0.00 0.00 0.00 19.45 19.41 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 -5.17 6.17 0.29 0.00 0.01 -1.26 -4.98 113.70 108.76 2juj s SER 4 Ca -0.08 0.18 0.07 0.00 1.31 0.00 0.00 55.95 57.43 2juj s SER 4 Cb 0.09 -2.11 0.44 0.00 0.21 0.00 0.00 66.02 64.66 2juj s SER 4 CO 0.86 0.09 1.69 1.55 0.41 0.00 0.00 173.24 177.84 2juj h PRO 5 N 7.22 0.23 -0.03 12.44 0.13 -1.98 -2.17 132.00 147.83 2juj h PRO 5 Ca -0.39 -0.11 -0.17 0.00 -0.87 0.00 0.00 66.00 64.45 2juj h PRO 5 Cb 1.16 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2juj h PRO 5 CO 0.69 0.62 -0.76 -0.56 -0.23 0.00 0.00 178.00 177.77 2juj h GLN 6 N 0.19 0.20 -0.15 0.86 3.07 -1.97 0.57 115.11 117.88 2juj h GLN 6 Ca 0.02 -0.18 -0.10 0.00 0.09 0.00 0.00 58.65 58.47 2juj h GLN 6 Cb 0.84 0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.44 2juj h GLN 6 CO 0.07 0.86 -0.31 1.25 0.09 0.00 0.00 178.83 180.80 2juj h LEU 7 N 0.13 0.53 -1.93 0.06 7.12 -1.96 0.41 115.31 119.68 2juj h LEU 7 Ca -0.03 -0.55 0.00 0.00 0.13 0.00 0.00 57.88 57.43 2juj h LEU 7 Cb 1.33 -0.15 -0.00 0.00 -0.53 0.00 0.00 40.66 41.30 2juj h LEU 7 CO 0.11 0.99 0.05 -1.28 -0.13 0.00 0.00 178.44 178.18 2juj h SER 8 N 0.10 0.08 0.72 1.25 0.87 -1.28 -1.94 113.55 113.36 2juj h SER 8 Ca 0.01 -0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.37 2juj h SER 8 Cb 0.90 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.82 2juj h SER 8 CO 0.07 0.06 -0.89 -1.28 -0.53 0.00 0.00 176.83 174.26 2juj h SER 9 N 0.10 0.14 -0.57 6.23 0.87 -0.44 -2.86 113.55 117.02 2juj h SER 9 Ca 0.03 -0.12 -0.08 0.00 -1.23 0.00 0.00 61.79 60.39 2juj h SER 9 Cb -0.01 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 2juj h SER 9 CO -0.01 0.95 0.05 1.05 -0.53 0.00 0.00 176.83 178.35 2juj h GLU 10 N 0.05 1.00 -0.13 2.24 -0.00 -0.13 -1.18 114.58 116.43 2juj h GLU 10 Ca -0.03 -0.28 0.02 0.00 -0.00 0.00 0.00 59.36 59.08 2juj h GLU 10 Cb 1.54 -0.11 -0.02 0.00 -0.00 0.00 0.00 28.75 30.15 2juj h GLU 10 CO 0.13 0.95 -0.02 0.82 -0.00 0.00 0.00 179.01 180.89 2juj h ILE 11 N 0.93 0.88 -0.06 -1.06 2.04 -1.49 -1.36 117.51 117.40 2juj h ILE 11 Ca 0.18 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 66.05 2juj h ILE 11 Cb 0.47 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 2juj h ILE 11 CO 0.02 0.00 0.06 -0.33 0.00 0.00 0.00 178.15 177.91 2juj h GLU 12 N 0.02 0.00 -0.06 2.37 5.08 -1.16 0.24 114.58 121.06 2juj h GLU 12 Ca 0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2juj h GLU 12 Cb 0.09 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 2juj h GLU 12 CO -0.13 0.00 0.01 -0.97 -1.00 0.00 0.00 179.01 176.93 2juj h ASN 13 N 0.00 0.10 1.41 1.42 -0.00 -0.06 -2.47 115.58 115.98 2juj h ASN 13 Ca 0.03 -0.24 -0.09 0.00 -0.00 0.00 0.00 56.30 56.00 2juj h ASN 13 Cb 0.16 -0.03 -0.01 0.00 -0.00 0.00 0.00 38.32 38.44 2juj h ASN 13 CO -0.00 0.32 -0.61 0.17 -0.00 0.00 0.00 177.43 177.31 2juj h LEU 14 N -0.13 0.00 -0.83 0.34 -0.00 -1.27 -3.31 115.31 110.12 2juj h LEU 14 Ca 0.02 0.00 0.11 0.00 -0.00 0.00 0.00 57.88 58.01 2juj h LEU 14 Cb 0.26 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 40.84 2juj h LEU 14 CO 0.00 0.37 0.46 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 -0.42 -1.14 114.93 117.10 2juj h MET 15 Ca -0.03 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2juj h MET 15 Cb 1.31 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.81 2juj h MET 15 CO 0.04 0.47 0.00 0.43 1.06 0.00 0.00 176.91 178.91 2juj n SER 16 N -4.79 0.32 0.12 1.22 7.64 -0.94 -0.60 113.62 116.60 2juj n SER 16 Ca 0.14 0.61 0.13 0.00 1.01 0.00 0.00 58.87 60.77 2juj n SER 16 Cb 0.32 -0.67 0.42 0.00 -1.01 0.00 0.00 64.21 63.27 2juj n SER 16 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2juj h GLN 17 N 0.00 0.00 0.00 1.43 4.20 -1.40 -3.46 115.11 115.88 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 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 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 0.99 0.86 3.59 3.46 0.00 0.23 -5.03 105.19 109.29 2juj n GLY 18 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 1.62 -0.13 1.61 2.02 -1.20 -4.86 117.35 114.41 2juj s TYR 19 Ca 0.00 1.38 -0.01 0.00 -0.37 0.00 0.00 57.07 58.07 2juj s TYR 19 Cb 0.00 -3.19 -0.02 0.00 -0.40 0.00 0.00 41.96 38.35 2juj s TYR 19 CO 0.00 -3.27 -0.08 -1.12 -1.57 0.00 0.00 175.55 169.51 2juj s SER 20 N -2.74 4.49 0.56 2.29 0.01 -1.26 -4.83 113.70 112.22 2juj s SER 20 Ca 0.67 -0.17 0.31 0.00 1.31 0.00 0.00 55.95 58.07 2juj s SER 20 Cb -0.23 -1.59 1.67 0.00 0.21 0.00 0.00 66.02 66.08 2juj s SER 20 CO 0.61 0.21 2.15 0.10 0.41 0.00 0.00 173.24 176.71 2juj h TYR 21 N 6.39 0.00 0.38 2.43 -0.00 -1.97 -0.42 116.97 123.78 2juj h TYR 21 Ca -0.33 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.38 2juj h TYR 21 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.93 2juj h TYR 21 CO 0.53 0.07 -0.18 -0.56 -0.00 0.00 0.00 178.16 178.01 2juj h GLN 22 N 0.00 -0.49 0.00 0.10 3.07 -1.99 0.21 115.11 116.01 2juj h GLN 22 Ca -0.00 0.03 -0.11 0.00 0.09 0.00 0.00 58.65 58.67 2juj h GLN 22 Cb 0.24 0.11 -0.02 0.00 0.08 0.00 0.00 27.48 27.90 2juj h GLN 22 CO 0.01 -0.33 -0.50 -0.44 0.09 0.00 0.00 178.83 177.66 2juj h ASP 23 N -0.51 0.00 -0.09 0.06 5.19 -1.87 -1.73 116.42 117.47 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 0.39 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 2juj h ASP 23 CO 0.08 0.50 0.04 0.40 -3.12 0.00 0.00 179.24 177.15 2juj h ILE 24 N 0.00 1.00 -0.43 0.35 2.04 -0.97 0.29 117.51 119.79 2juj h ILE 24 Ca -0.01 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 65.77 2juj h ILE 24 Cb 1.36 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 2juj h ILE 24 CO 0.07 0.02 0.06 -0.61 0.00 0.00 0.00 178.15 177.68 2juj h GLN 25 N 0.10 0.66 -0.18 2.37 4.15 -0.50 -1.91 115.11 119.79 2juj h GLN 25 Ca 0.04 -0.14 0.02 0.00 0.77 0.00 0.00 58.65 59.33 2juj h GLN 25 Cb 0.00 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 2juj h GLN 25 CO -0.02 0.64 0.07 -0.22 -1.93 0.00 0.00 178.83 177.36 2juj h LYS 26 N 0.63 0.16 -0.93 1.69 3.64 -0.84 -2.36 116.57 118.56 2juj h LYS 26 Ca 0.14 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.60 2juj h LYS 26 Cb 0.31 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.02 2juj h LYS 26 CO 0.01 0.10 0.57 0.00 -2.27 0.00 0.00 179.45 177.86 2juj h ALA 27 N 1.11 1.35 -0.71 5.00 0.00 0.14 -2.29 119.26 123.85 2juj h ALA 27 Ca 0.08 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2juj h ALA 27 Cb 0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2juj h ALA 27 CO -0.07 0.24 0.26 -0.07 0.00 0.00 0.00 179.25 179.61 2juj h LEU 28 N 0.97 0.99 -1.15 0.00 3.38 -0.87 0.12 115.31 118.75 2juj h LEU 28 Ca 0.44 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 58.16 2juj h LEU 28 Cb 0.35 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2juj h LEU 28 CO -0.23 0.90 -0.37 -0.37 0.09 0.00 0.00 178.44 178.45 2juj h VAL 29 N 1.04 1.28 0.00 1.22 -1.51 -0.94 0.45 116.25 117.79 2juj h VAL 29 Ca 0.24 -1.35 -0.24 0.00 -1.23 0.00 0.00 66.70 64.12 2juj h VAL 29 Cb 0.24 1.67 -0.04 0.00 -2.13 0.00 0.00 31.29 31.03 2juj h VAL 29 CO -0.02 0.39 -1.38 -0.29 -1.23 0.00 0.00 177.57 175.05 2juj h ILE 30 N 0.08 1.06 -0.36 7.19 -0.00 -1.41 -3.32 117.51 120.74 2juj h ILE 30 Ca 0.01 -2.79 0.00 0.00 -0.00 0.00 0.00 64.86 62.08 2juj h ILE 30 Cb 0.70 2.49 0.00 0.00 -0.00 0.00 0.00 36.82 40.02 2juj h ILE 30 CO 0.05 0.60 0.00 0.00 -0.00 0.00 0.00 178.15 178.81 2juj n ALA 31 N -2.45 2.48 -4.21 0.18 0.00 0.39 -4.90 120.51 112.00 2juj n ALA 31 Ca -0.10 -0.66 -0.33 0.00 0.00 0.00 0.00 53.44 52.36 2juj n ALA 31 Cb 0.97 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 0.56 -2.39 -4.13 0.00 0.00 -0.17 0.67 117.38 111.92 2juj n GLN 32 Ca 0.12 0.29 -0.34 0.00 0.00 0.00 0.00 57.00 57.07 2juj n GLN 32 Cb 0.33 -4.57 -0.01 0.00 0.00 0.00 0.00 30.24 25.99 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 -2.77 -3.62 -4.71 2.61 6.94 0.14 -4.96 115.26 108.89 2juj n ASN 33 Ca -0.11 -0.95 -0.42 0.00 -0.02 0.00 0.00 54.58 53.08 2juj n ASN 33 Cb 0.58 -3.08 -0.03 0.00 -2.36 0.00 0.00 39.78 34.90 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 -3.34 7.23 0.10 0.53 -0.87 0.21 -4.96 114.94 113.86 2juj s ASN 34 Ca 0.70 1.87 -0.27 0.00 -1.57 0.00 0.00 52.86 53.58 2juj s ASN 34 Cb -0.37 -2.58 -0.11 0.00 -0.02 0.00 0.00 41.25 38.17 2juj s ASN 34 CO 0.90 -0.35 1.66 -0.29 -2.57 0.00 0.00 177.10 176.45 2juj h ILE 35 N 4.54 0.54 -0.25 0.60 2.10 -1.93 -1.09 117.51 122.03 2juj h ILE 35 Ca -0.42 0.00 -0.07 0.00 1.08 0.00 0.00 64.86 65.46 2juj h ILE 35 Cb 1.22 0.54 -0.01 0.00 -1.09 0.00 0.00 36.82 37.48 2juj h ILE 35 CO 0.77 0.00 -0.11 1.05 -1.08 0.00 0.00 178.15 178.78 2juj h GLU 36 N -0.43 0.51 -0.05 2.19 4.11 -1.96 -3.02 114.58 115.93 2juj h GLU 36 Ca 0.01 -0.22 -0.16 0.00 0.07 0.00 0.00 59.36 59.05 2juj h GLU 36 Cb 0.42 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2juj h GLU 36 CO -0.08 0.77 -0.69 1.98 0.07 0.00 0.00 179.01 181.06 2juj h MET 37 N 0.24 0.24 0.19 1.06 4.05 -1.87 -1.89 114.93 116.94 2juj h MET 37 Ca 0.06 -0.19 -0.01 0.00 -0.28 0.00 0.00 59.70 59.27 2juj h MET 37 Cb 0.61 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.46 2juj h MET 37 CO 0.04 0.84 -0.09 0.00 0.23 0.00 0.00 176.91 177.92 2juj h ALA 38 N 1.11 -0.25 0.00 0.39 0.00 -1.23 0.35 119.26 119.63 2juj h ALA 38 Ca -0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2juj h ALA 38 Cb 1.24 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 2juj h ALA 38 CO 0.11 -0.45 -0.19 1.57 0.00 0.00 0.00 179.25 180.29 2juj h LYS 39 N -0.63 0.00 -0.25 0.00 2.10 -1.56 -0.85 116.57 115.39 2juj h LYS 39 Ca -0.03 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.48 2juj h LYS 39 Cb 0.46 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.78 2juj h LYS 39 CO 0.04 0.19 -0.46 -0.91 -2.00 0.00 0.00 179.45 176.31 2juj h ASN 40 N 0.00 0.69 -0.41 7.07 2.35 -1.23 -2.75 115.58 121.30 2juj h ASN 40 Ca -0.00 -0.33 -0.12 0.00 -0.55 0.00 0.00 56.30 55.29 2juj h ASN 40 Cb 0.35 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 2juj h ASN 40 CO 0.02 1.04 -0.20 0.40 -1.65 0.00 0.00 177.43 177.05 2juj h ILE 41 N 0.51 1.27 -0.50 2.81 1.08 0.43 0.04 117.51 123.16 2juj h ILE 41 Ca 0.03 -1.34 0.01 0.00 -0.39 0.00 0.00 64.86 63.17 2juj h ILE 41 Cb 0.99 1.13 -0.03 0.00 -3.07 0.00 0.00 36.82 35.84 2juj h ILE 41 CO 0.09 0.46 0.31 -0.07 -0.69 0.00 0.00 178.15 178.25 2juj h LEU 42 N 0.79 0.52 -0.85 1.44 3.38 -1.28 0.72 115.31 120.03 2juj h LEU 42 Ca 0.11 -0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.18 2juj h LEU 42 Cb 0.75 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.30 2juj h LEU 42 CO 0.06 0.37 0.49 -0.09 0.09 0.00 0.00 178.44 179.36 2juj h ARG 43 N 0.63 0.77 -0.36 1.13 1.12 -1.14 0.16 114.38 116.68 2juj h ARG 43 Ca 0.19 -0.05 -0.14 0.00 -1.11 0.00 0.00 59.98 58.87 2juj h ARG 43 Cb -0.03 -0.17 -0.01 0.00 -0.01 0.00 0.00 29.97 29.75 2juj h ARG 43 CO -0.07 0.51 -0.32 0.93 -3.11 0.00 0.00 179.97 177.91 2juj h GLU 44 N 0.79 0.86 0.00 0.20 4.39 -0.03 -3.43 114.58 117.36 2juj h GLU 44 Ca 0.42 -0.44 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2juj h GLU 44 Cb 0.43 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2juj h GLU 44 CO -0.27 1.08 0.00 0.34 -1.16 0.00 0.00 179.01 179.00 2juj n PHE 45 N -4.15 0.00 -3.79 4.33 7.35 0.24 -5.04 117.46 116.40 2juj n PHE 45 Ca -0.03 0.00 -0.36 0.00 -0.76 0.00 0.00 57.45 56.30 2juj n PHE 45 Cb 0.51 -0.01 -0.06 0.00 0.35 0.00 0.00 39.48 40.27 2juj n PHE 45 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2juj s VAL 46 N -0.43 5.37 0.43 -2.13 0.11 0.46 -5.03 120.40 119.18 2juj s VAL 46 Ca 0.00 0.24 0.07 0.00 -2.93 0.00 0.00 61.98 59.36 2juj s VAL 46 Cb 0.00 -3.51 -0.05 0.00 -1.53 0.00 0.00 36.38 31.30 2juj s VAL 46 CO 0.00 0.51 0.17 -0.94 -3.33 0.00 0.00 175.10 171.50 2juj s SER 47 N -1.34 4.37 -0.36 3.54 1.04 -1.26 -4.41 113.70 115.27 2juj s SER 47 Ca 0.21 -1.16 -0.12 0.00 0.48 0.00 0.00 55.95 55.36 2juj s SER 47 Cb -0.13 -0.33 0.01 0.00 0.10 0.00 0.00 66.02 65.66 2juj s SER 47 CO 0.11 -0.60 0.24 -0.63 0.98 0.00 0.00 173.24 173.33 2juj s ILE 48 N -2.64 4.99 -0.13 -1.02 1.01 -1.26 -4.84 121.20 117.30 2juj s ILE 48 Ca 0.37 -0.54 0.12 0.00 0.00 0.00 0.00 60.65 60.60 2juj s ILE 48 Cb 0.04 -3.68 0.27 0.00 0.01 0.00 0.00 42.46 39.10 2juj s ILE 48 CO 0.21 -0.14 1.21 -0.24 0.00 0.00 0.00 174.94 175.97 2juj n SER 49 N 5.08 -0.43 -4.27 3.58 2.88 -1.26 -5.11 113.62 114.09 2juj n SER 49 Ca -0.12 -2.07 -0.32 0.00 -1.33 0.00 0.00 58.87 55.03 2juj n SER 49 Cb 0.48 0.20 -0.16 0.00 -0.75 0.00 0.00 64.21 63.98 2juj n SER 49 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2juj s SER 50 N -1.60 3.13 1.01 -3.46 0.01 -1.26 -5.14 113.70 106.40 2juj s SER 50 Ca 0.12 -0.51 -0.03 0.00 1.31 0.00 0.00 55.95 56.85 2juj s SER 50 Cb 0.25 -0.99 0.04 0.00 0.21 0.00 0.00 66.02 65.53 2juj s SER 50 CO -0.07 0.23 0.20 -2.65 0.41 0.00 0.00 173.24 171.35 2juj n PRO 51 N 3.07 -0.63 0.09 12.44 -0.02 -1.26 -4.96 135.00 143.74 2juj n PRO 51 Ca -0.18 -0.31 -0.02 0.00 -2.02 0.00 0.00 63.50 60.97 2juj n PRO 51 Cb 0.52 -0.23 0.23 0.00 -0.02 0.00 0.00 33.50 34.00 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 -2.02 1.12 -3.00 3.55 0.00 -2.01 -3.44 119.26 113.46 2juj h ALA 52 Ca -0.07 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2juj h ALA 52 Cb 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2juj h ALA 52 CO 0.05 0.58 0.00 0.72 0.00 0.00 0.00 179.25 180.59 2juj n HIS 53 N -4.04 0.00 -2.18 0.00 8.25 -1.26 -4.93 115.22 111.06 2juj n HIS 53 Ca -0.01 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.42 2juj n HIS 53 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 2juj n HIS 53 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2juj n VAL 54 N 0.00 -6.00 -3.80 1.59 0.31 -1.26 -5.07 118.33 104.09 2juj n VAL 54 Ca 0.00 0.24 -0.21 0.00 -0.01 0.00 0.00 64.34 64.36 2juj n VAL 54 Cb 0.00 -5.42 -0.03 0.00 -0.91 0.00 0.00 33.84 27.48 2juj n VAL 54 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2juj s ALA 55 N -2.20 3.88 0.00 3.52 0.00 -1.26 -5.08 121.76 120.61 2juj s ALA 55 Ca 0.08 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.48 2juj s ALA 55 Cb -0.02 -1.31 0.00 0.00 0.00 0.00 0.00 23.12 21.78 2juj s ALA 55 CO 0.36 0.05 0.00 2.41 0.00 0.00 0.00 175.76 178.58