#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 0.54 0.00 0.00 -1.32 -1.26 -4.99 115.64 108.61 2juj s THR 2 Ca 0.00 -0.20 0.11 0.00 -1.21 0.00 0.00 61.69 60.39 2juj s THR 2 Cb 0.00 -0.52 0.18 0.00 -1.51 0.00 0.00 72.50 70.65 2juj s THR 2 CO 0.00 0.19 1.01 0.00 -2.21 0.00 0.00 174.62 173.61 2juj n ALA 3 N 3.53 2.60 -2.51 11.08 0.00 -1.26 -5.11 120.51 128.85 2juj n ALA 3 Ca -0.20 -1.36 -0.42 0.00 0.00 0.00 0.00 53.44 51.46 2juj n ALA 3 Cb 0.54 -0.49 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 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 -1.29 7.17 0.00 0.00 0.01 -1.26 -5.04 113.70 113.29 2juj s SER 4 Ca 0.14 1.90 0.00 0.00 1.31 0.00 0.00 55.95 59.30 2juj s SER 4 Cb 0.16 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.82 2juj s SER 4 CO -0.07 -0.41 0.00 -0.81 0.41 0.00 0.00 173.24 172.36 2juj n PRO 5 N 3.95 2.59 -0.07 12.44 -0.04 -1.26 -4.80 135.00 147.81 2juj n PRO 5 Ca 0.08 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.32 2juj n PRO 5 Cb 0.48 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.82 2juj n PRO 5 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2juj n GLN 6 N 0.00 0.62 -0.26 0.54 6.02 -1.26 -2.67 117.38 120.38 2juj n GLN 6 Ca 0.00 0.48 -0.06 0.00 -0.01 0.00 0.00 57.00 57.41 2juj n GLN 6 Cb 0.00 -1.73 0.05 0.00 1.02 0.00 0.00 30.24 29.58 2juj n GLN 6 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2juj h LEU 7 N -0.70 0.90 -1.68 1.08 7.12 -1.99 0.41 115.31 120.45 2juj h LEU 7 Ca -0.38 -0.10 -0.03 0.00 0.13 0.00 0.00 57.88 57.49 2juj h LEU 7 Cb 1.52 -0.23 -0.00 0.00 -0.53 0.00 0.00 40.66 41.42 2juj h LEU 7 CO -0.13 0.74 -0.15 -1.28 -0.13 0.00 0.00 178.44 177.49 2juj h SER 8 N 0.98 0.00 0.40 1.25 0.87 -1.92 -1.75 113.55 113.38 2juj h SER 8 Ca 0.25 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.68 2juj h SER 8 Cb 0.05 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 2juj h SER 8 CO -0.04 0.15 -0.55 0.28 -0.53 0.00 0.00 176.83 176.14 2juj h SER 9 N 0.00 0.18 -0.29 6.23 0.02 -0.72 -1.64 113.55 117.33 2juj h SER 9 Ca -0.00 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2juj h SER 9 Cb 0.46 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 2juj h SER 9 CO 0.02 0.69 0.19 -0.33 -1.14 0.00 0.00 176.83 176.26 2juj h GLU 10 N 0.12 0.37 0.11 3.45 4.39 -0.39 -0.86 114.58 121.77 2juj h GLU 10 Ca -0.00 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.69 2juj h GLU 10 Cb 1.01 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.54 2juj h GLU 10 CO 0.08 0.25 -0.22 0.82 -1.16 0.00 0.00 179.01 178.78 2juj h ILE 11 N 0.38 0.51 -0.16 3.13 2.04 -1.45 -2.50 117.51 119.46 2juj h ILE 11 Ca 0.11 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.01 2juj h ILE 11 Cb -0.04 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 2juj h ILE 11 CO -0.03 0.00 0.18 -0.33 0.00 0.00 0.00 178.15 177.97 2juj h GLU 12 N -0.41 0.00 0.08 2.37 4.39 -0.87 0.26 114.58 120.40 2juj h GLU 12 Ca 0.03 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 2juj h GLU 12 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2juj h GLU 12 CO -0.12 0.00 -0.04 -0.97 -1.16 0.00 0.00 179.01 176.72 2juj h ASN 13 N 0.00 -0.09 1.70 1.42 -0.73 -0.70 -2.81 115.58 114.38 2juj h ASN 13 Ca 0.08 -0.28 -0.05 0.00 1.87 0.00 0.00 56.30 57.91 2juj h ASN 13 Cb 0.43 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 39.03 2juj h ASN 13 CO -0.00 0.24 -0.26 0.17 -0.37 0.00 0.00 177.43 177.21 2juj h LEU 14 N -0.42 0.00 -1.12 0.34 -0.00 -1.26 -3.12 115.31 109.74 2juj h LEU 14 Ca -0.01 0.00 0.14 0.00 -0.00 0.00 0.00 57.88 58.01 2juj h LEU 14 Cb 0.36 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 40.94 2juj h LEU 14 CO 0.02 0.26 0.61 0.24 -0.00 0.00 0.00 178.44 179.57 2juj h MET 15 N 0.00 0.81 0.00 0.17 2.86 -0.48 -0.82 114.93 117.47 2juj h MET 15 Ca -0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2juj h MET 15 Cb 1.18 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.66 2juj h MET 15 CO 0.03 0.54 0.00 0.43 1.06 0.00 0.00 176.91 178.97 2juj n SER 16 N -4.62 0.00 0.09 1.22 7.64 -1.07 -0.70 113.62 116.18 2juj n SER 16 Ca 0.19 -0.25 0.12 0.00 1.01 0.00 0.00 58.87 59.94 2juj n SER 16 Cb 0.44 -0.15 0.13 0.00 -1.01 0.00 0.00 64.21 63.62 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 -1.32 -3.47 115.11 115.95 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 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 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 1.27 0.90 3.51 3.46 0.00 0.13 -5.04 105.19 109.42 2juj n GLY 18 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 1.39 -0.08 1.61 2.02 -1.24 -4.74 117.35 114.31 2juj s TYR 19 Ca 0.00 1.22 0.02 0.00 -0.37 0.00 0.00 57.07 57.94 2juj s TYR 19 Cb 0.00 -3.12 -0.02 0.00 -0.40 0.00 0.00 41.96 38.42 2juj s TYR 19 CO 0.00 -3.77 -0.13 -1.12 -1.57 0.00 0.00 175.55 168.96 2juj s SER 20 N -2.56 4.10 0.39 2.29 0.01 -1.26 -4.83 113.70 111.84 2juj s SER 20 Ca 0.68 -0.23 0.06 0.00 1.31 0.00 0.00 55.95 57.77 2juj s SER 20 Cb -0.25 -1.18 0.79 0.00 0.21 0.00 0.00 66.02 65.60 2juj s SER 20 CO 0.64 0.28 2.03 1.88 0.41 0.00 0.00 173.24 178.48 2juj h TYR 21 N 5.87 0.62 -0.28 2.43 0.05 -1.97 0.12 116.97 123.81 2juj h TYR 21 Ca -0.39 0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.47 2juj h TYR 21 Cb 1.18 -0.21 -0.06 0.00 1.01 0.00 0.00 36.73 38.65 2juj h TYR 21 CO 0.51 0.38 -0.11 -0.56 -1.05 0.00 0.00 178.16 177.33 2juj h GLN 22 N 0.66 -0.05 0.00 4.88 3.07 -1.99 0.38 115.11 122.05 2juj h GLN 22 Ca 0.20 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.78 2juj h GLN 22 Cb -0.01 0.01 -0.02 0.00 0.08 0.00 0.00 27.48 27.54 2juj h GLN 22 CO -0.05 -0.04 -0.88 -0.44 0.09 0.00 0.00 178.83 177.51 2juj h ASP 23 N -0.05 0.00 -0.00 0.06 3.32 -1.86 -2.70 116.42 115.19 2juj h ASP 23 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2juj h ASP 23 Cb 0.27 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 2juj h ASP 23 CO -0.32 0.69 0.00 0.40 -1.72 0.00 0.00 179.24 178.29 2juj h ILE 24 N 0.00 1.01 -0.42 0.35 2.04 -0.24 0.25 117.51 120.50 2juj h ILE 24 Ca -0.05 -0.02 -0.05 0.00 1.00 0.00 0.00 64.86 65.73 2juj h ILE 24 Cb 1.57 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.65 2juj h ILE 24 CO 0.08 0.01 0.05 -0.61 0.00 0.00 0.00 178.15 177.67 2juj h GLN 25 N -0.01 0.65 -0.43 2.37 -0.00 -0.33 -1.76 115.11 115.60 2juj h GLN 25 Ca 0.00 -0.14 0.02 0.00 -0.00 0.00 0.00 58.65 58.53 2juj h GLN 25 Cb 0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 27.48 27.37 2juj h GLN 25 CO -0.00 0.63 0.26 -0.22 0.00 0.00 0.00 178.83 179.50 2juj h LYS 26 N 0.62 0.51 -0.95 1.69 3.64 -1.08 -2.06 116.57 118.94 2juj h LYS 26 Ca 0.13 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.53 2juj h LYS 26 Cb 0.32 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 31.97 2juj h LYS 26 CO 0.01 0.34 0.62 0.00 -2.27 0.00 0.00 179.45 178.14 2juj h ALA 27 N 1.19 1.27 -0.86 5.00 0.00 0.26 -2.55 119.26 123.57 2juj h ALA 27 Ca 0.17 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2juj h ALA 27 Cb 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 2juj h ALA 27 CO -0.07 0.48 0.43 -0.07 0.00 0.00 0.00 179.25 180.01 2juj h LEU 28 N 1.18 1.12 -1.13 0.00 3.38 -0.66 0.31 115.31 119.51 2juj h LEU 28 Ca 0.39 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 58.14 2juj h LEU 28 Cb 0.04 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2juj h LEU 28 CO -0.13 0.93 -0.35 -0.37 0.09 0.00 0.00 178.44 178.61 2juj h VAL 29 N 1.22 1.27 0.00 1.22 -1.51 -1.02 0.43 116.25 117.87 2juj h VAL 29 Ca 0.30 -1.31 -0.20 0.00 -1.23 0.00 0.00 66.70 64.26 2juj h VAL 29 Cb 0.10 1.60 -0.03 0.00 -2.13 0.00 0.00 31.29 30.83 2juj h VAL 29 CO -0.04 0.39 -1.25 -0.29 -1.23 0.00 0.00 177.57 175.15 2juj h ILE 30 N 0.14 0.90 -0.41 7.19 -0.00 -1.38 -3.31 117.51 120.64 2juj h ILE 30 Ca 0.02 -2.52 0.00 0.00 -0.00 0.00 0.00 64.86 62.36 2juj h ILE 30 Cb 0.68 2.37 0.00 0.00 -0.00 0.00 0.00 36.82 39.88 2juj h ILE 30 CO 0.05 0.51 0.00 0.00 -0.00 0.00 0.00 178.15 178.71 2juj n ALA 31 N -2.40 2.76 -4.36 0.18 0.00 0.11 -4.90 120.51 111.89 2juj n ALA 31 Ca -0.08 -0.92 -0.37 0.00 0.00 0.00 0.00 53.44 52.08 2juj n ALA 31 Cb 0.90 -1.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.28 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 0.65 -1.52 -3.51 0.00 -0.00 0.08 -0.17 117.38 112.92 2juj n GLN 32 Ca 0.16 0.20 -0.22 0.00 -0.00 0.00 0.00 57.00 57.13 2juj n GLN 32 Cb 0.54 -4.46 0.05 0.00 -0.00 0.00 0.00 30.24 26.37 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 -2.67 -4.66 -4.89 2.61 4.13 0.13 -5.00 115.26 104.91 2juj n ASN 33 Ca -0.06 -0.83 -0.29 0.00 1.68 0.00 0.00 54.58 55.08 2juj n ASN 33 Cb 0.55 -4.34 -0.03 0.00 -1.54 0.00 0.00 39.78 34.42 2juj n ASN 33 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 2juj s ASN 34 N -3.70 6.49 0.00 6.41 3.84 0.76 -5.03 114.94 123.72 2juj s ASN 34 Ca 0.33 0.87 -0.12 0.00 0.21 0.00 0.00 52.86 54.14 2juj s ASN 34 Cb -0.08 -2.21 -0.07 0.00 -0.55 0.00 0.00 41.25 38.35 2juj s ASN 34 CO 0.80 -0.24 0.82 -0.29 -2.79 0.00 0.00 177.10 175.39 2juj h ILE 35 N 1.36 0.00 -0.01 -5.21 2.10 -1.94 -3.28 117.51 110.53 2juj h ILE 35 Ca -0.47 -0.19 -0.00 0.00 1.08 0.00 0.00 64.86 65.28 2juj h ILE 35 Cb 1.19 0.00 0.00 0.00 -1.09 0.00 0.00 36.82 36.92 2juj h ILE 35 CO 0.66 0.00 -0.01 -0.33 -1.08 0.00 0.00 178.15 177.38 2juj h GLU 36 N -0.63 0.02 -0.40 2.19 5.08 -1.97 -3.16 114.58 115.72 2juj h GLU 36 Ca -0.05 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2juj h GLU 36 Cb 0.34 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2juj h GLU 36 CO 0.07 0.60 0.14 1.98 -1.00 0.00 0.00 179.01 180.80 2juj h MET 37 N -0.55 0.57 0.14 2.33 4.05 -1.90 0.31 114.93 119.88 2juj h MET 37 Ca 0.00 -0.08 -0.01 0.00 -0.28 0.00 0.00 59.70 59.33 2juj h MET 37 Cb 0.60 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.29 2juj h MET 37 CO 0.00 0.49 -0.07 0.00 0.23 0.00 0.00 176.91 177.57 2juj h ALA 38 N 1.59 -0.19 0.00 0.39 0.00 -1.65 -0.99 119.26 118.40 2juj h ALA 38 Ca 0.14 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 2juj h ALA 38 Cb 0.15 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2juj h ALA 38 CO -0.01 -0.37 -0.27 1.57 0.00 0.00 0.00 179.25 180.17 2juj h LYS 39 N -0.68 0.00 0.00 0.00 2.10 -1.40 -2.44 116.57 114.15 2juj h LYS 39 Ca -0.02 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.43 2juj h LYS 39 Cb 0.50 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.82 2juj h LYS 39 CO 0.03 0.27 -0.88 -0.91 -2.00 0.00 0.00 179.45 175.97 2juj h ASN 40 N 0.00 0.24 -0.36 7.07 2.35 -0.39 -2.61 115.58 121.88 2juj h ASN 40 Ca -0.00 -0.20 -0.12 0.00 -0.55 0.00 0.00 56.30 55.43 2juj h ASN 40 Cb 0.51 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 2juj h ASN 40 CO 0.04 1.00 -0.23 0.40 -1.65 0.00 0.00 177.43 176.99 2juj h ILE 41 N 0.10 1.27 -0.03 2.81 1.08 -0.72 0.16 117.51 122.19 2juj h ILE 41 Ca -0.04 -1.36 0.02 0.00 -0.39 0.00 0.00 64.86 63.08 2juj h ILE 41 Cb 1.51 1.19 -0.03 0.00 -3.07 0.00 0.00 36.82 36.42 2juj h ILE 41 CO 0.13 0.46 -0.10 -0.07 -0.69 0.00 0.00 178.15 177.88 2juj h LEU 42 N 0.74 -0.30 -0.62 1.44 -0.00 -1.45 0.45 115.31 115.57 2juj h LEU 42 Ca 0.10 0.05 0.13 0.00 -0.00 0.00 0.00 57.88 58.16 2juj h LEU 42 Cb 0.77 0.13 -0.11 0.00 -0.00 0.00 0.00 40.66 41.45 2juj h LEU 42 CO 0.06 -0.14 -0.07 -0.09 -0.00 0.00 0.00 178.44 178.20 2juj h ARG 43 N -0.16 0.06 0.00 1.13 2.43 -1.09 -0.50 114.38 116.25 2juj h ARG 43 Ca 0.05 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.13 2juj h ARG 43 Cb 0.23 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 2juj h ARG 43 CO -0.12 0.04 -0.39 0.93 -1.51 0.00 0.00 179.97 178.92 2juj h GLU 44 N 0.06 0.00 0.00 0.20 5.08 -0.22 -3.43 114.58 116.27 2juj h GLU 44 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2juj h GLU 44 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2juj h GLU 44 CO -0.58 0.39 0.00 1.19 -1.00 0.00 0.00 179.01 179.00 2juj n PHE 45 N -3.26 0.00 -3.10 4.33 3.01 0.15 -5.06 117.46 113.53 2juj n PHE 45 Ca 0.02 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.09 2juj n PHE 45 Cb 0.64 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 40.05 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 -0.41 4.62 0.49 -4.37 0.11 -0.27 -5.03 120.40 115.55 2juj s VAL 46 Ca 0.00 1.49 0.07 0.00 -2.93 0.00 0.00 61.98 60.61 2juj s VAL 46 Cb 0.00 -4.04 0.02 0.00 -1.53 0.00 0.00 36.38 30.84 2juj s VAL 46 CO 0.00 0.49 0.50 -0.44 -3.33 0.00 0.00 175.10 172.32 2juj s SER 47 N -0.80 4.99 -0.20 3.54 0.01 -1.26 -4.39 113.70 115.59 2juj s SER 47 Ca 0.34 -0.89 -0.15 0.00 1.31 0.00 0.00 55.95 56.56 2juj s SER 47 Cb -0.21 -0.08 -0.04 0.00 0.21 0.00 0.00 66.02 65.90 2juj s SER 47 CO 0.22 -0.96 0.34 -0.63 0.41 0.00 0.00 173.24 172.63 2juj s ILE 48 N -2.60 5.24 -0.19 1.44 1.01 -1.26 -4.88 121.20 119.97 2juj s ILE 48 Ca 0.48 0.60 0.29 0.00 0.00 0.00 0.00 60.65 62.01 2juj s ILE 48 Cb -0.04 -3.68 0.34 0.00 0.01 0.00 0.00 42.46 39.09 2juj s ILE 48 CO 0.29 0.29 1.85 0.28 0.00 0.00 0.00 174.94 177.65 2juj h SER 49 N 7.26 0.00 -3.77 3.58 0.02 -1.99 -3.44 113.55 115.21 2juj h SER 49 Ca -0.37 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.07 2juj h SER 49 Cb 1.16 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.72 2juj h SER 49 CO 0.71 0.00 0.47 -0.55 -1.14 0.00 0.00 176.83 176.32 2juj s SER 50 N -5.27 7.29 0.00 3.07 0.15 -1.26 -4.91 113.70 112.77 2juj s SER 50 Ca 0.03 2.23 -0.03 0.00 0.70 0.00 0.00 55.95 58.88 2juj s SER 50 Cb 0.09 -2.62 -0.16 0.00 -1.71 0.00 0.00 66.02 61.62 2juj s SER 50 CO 0.52 -0.13 2.44 -0.81 1.20 0.00 0.00 173.24 176.46 2juj n PRO 51 N 1.35 1.26 -2.32 5.44 -0.04 -1.26 -4.88 135.00 134.55 2juj n PRO 51 Ca -0.01 -0.58 -0.43 0.00 -0.04 0.00 0.00 63.50 62.45 2juj n PRO 51 Cb 0.45 -1.74 -0.02 0.00 -0.04 0.00 0.00 33.50 32.15 2juj n PRO 51 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2juj s ALA 52 N 1.48 3.11 0.45 0.55 0.00 -1.26 -5.00 121.76 121.09 2juj s ALA 52 Ca 0.39 -0.03 -0.12 0.00 0.00 0.00 0.00 51.96 52.20 2juj s ALA 52 Cb 0.18 -3.91 -0.07 0.00 0.00 0.00 0.00 23.12 19.33 2juj s ALA 52 CO 0.00 -2.26 0.85 -1.01 0.00 0.00 0.00 175.76 173.33 2juj s HIS 53 N 5.33 3.48 -0.34 0.00 3.76 -1.26 -4.97 115.29 121.28 2juj s HIS 53 Ca 0.63 1.17 0.04 0.00 -0.15 0.00 0.00 55.06 56.74 2juj s HIS 53 Cb -0.16 -2.55 0.50 0.00 1.11 0.00 0.00 32.58 31.49 2juj s HIS 53 CO 0.31 -0.22 1.65 1.33 -0.85 0.00 0.00 174.74 176.96 2juj n VAL 54 N -1.49 2.56 -3.61 -0.90 0.24 -1.26 -4.60 118.33 109.27 2juj n VAL 54 Ca 0.04 -1.37 -0.29 0.00 -2.04 0.00 0.00 64.34 60.68 2juj n VAL 54 Cb 0.54 -0.58 -0.12 0.00 -1.47 0.00 0.00 33.84 32.21 2juj n VAL 54 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2juj s ALA 55 N -2.41 1.84 0.00 2.33 0.00 -1.26 -5.38 121.76 116.88 2juj s ALA 55 Ca 0.42 -2.48 0.00 0.00 0.00 0.00 0.00 51.96 49.89 2juj s ALA 55 Cb 0.35 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.68 2juj s ALA 55 CO 0.08 -2.06 0.49 -2.37 0.00 0.00 0.00 175.76 171.91