#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 -1.97 0.00 2.02 -2.14 -3.47 112.91 107.35 2juj h THR 2 Ca 0.00 -0.61 -0.00 0.00 0.77 0.00 0.00 66.41 66.57 2juj h THR 2 Cb 0.00 0.00 -0.21 0.00 -1.74 0.00 0.00 68.15 66.20 2juj h THR 2 CO 0.00 0.00 0.10 0.00 0.37 0.00 0.00 175.52 175.99 2juj s ALA 3 N -3.73 -1.85 -0.02 6.16 0.00 -1.26 -5.15 121.76 115.91 2juj s ALA 3 Ca -0.07 2.22 -0.18 0.00 0.00 0.00 0.00 51.96 53.93 2juj s ALA 3 Cb 0.01 -1.33 -0.05 0.00 0.00 0.00 0.00 23.12 21.74 2juj s ALA 3 CO 0.20 -0.35 0.49 -1.12 0.00 0.00 0.00 175.76 174.98 2juj s SER 4 N 1.00 6.86 -0.64 0.00 0.01 -1.26 -4.96 113.70 114.71 2juj s SER 4 Ca -0.05 1.02 -0.11 0.00 1.31 0.00 0.00 55.95 58.12 2juj s SER 4 Cb -0.05 -2.30 -0.18 0.00 0.21 0.00 0.00 66.02 63.70 2juj s SER 4 CO -0.10 0.19 1.79 -0.81 0.41 0.00 0.00 173.24 174.73 2juj n PRO 5 N 2.43 0.10 -0.05 12.44 -0.04 -1.26 -4.69 135.00 143.93 2juj n PRO 5 Ca -0.10 -0.41 -0.20 0.00 -0.04 0.00 0.00 63.50 62.75 2juj n PRO 5 Cb 0.52 -1.90 -0.13 0.00 -0.04 0.00 0.00 33.50 31.95 2juj n PRO 5 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2juj h GLN 6 N 10.69 0.10 -0.37 0.54 4.20 -1.97 -2.63 115.11 125.68 2juj h GLN 6 Ca 0.01 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.52 2juj h GLN 6 Cb 1.04 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.87 2juj h GLN 6 CO 1.21 1.08 0.11 1.25 -0.67 0.00 0.00 178.83 181.81 2juj h LEU 7 N -0.70 0.55 -1.86 1.46 7.12 -1.98 0.44 115.31 120.34 2juj h LEU 7 Ca -0.28 -0.22 -0.02 0.00 0.13 0.00 0.00 57.88 57.49 2juj h LEU 7 Cb 1.45 -0.15 -0.00 0.00 -0.53 0.00 0.00 40.66 41.43 2juj h LEU 7 CO -0.06 0.62 -0.12 -1.28 -0.13 0.00 0.00 178.44 177.48 2juj h SER 8 N 0.46 0.00 0.42 1.25 0.87 -1.95 -1.11 113.55 113.48 2juj h SER 8 Ca 0.12 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.53 2juj h SER 8 Cb 0.28 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 2juj h SER 8 CO -0.00 0.12 -0.62 -1.28 -0.53 0.00 0.00 176.83 174.51 2juj h SER 9 N 0.00 0.22 -0.49 6.23 0.87 -0.72 -2.69 113.55 116.97 2juj h SER 9 Ca -0.00 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 2juj h SER 9 Cb 0.37 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 2juj h SER 9 CO 0.02 0.78 0.32 -0.33 -0.53 0.00 0.00 176.83 177.09 2juj h GLU 10 N 0.14 0.64 -0.48 2.24 4.39 0.33 -1.00 114.58 120.84 2juj h GLU 10 Ca -0.01 -0.04 0.09 0.00 0.34 0.00 0.00 59.36 59.75 2juj h GLU 10 Cb 1.13 -0.14 -0.08 0.00 -0.10 0.00 0.00 28.75 29.55 2juj h GLU 10 CO 0.09 0.43 -0.02 0.82 -1.16 0.00 0.00 179.01 179.18 2juj h ILE 11 N 0.66 0.60 0.00 3.13 2.04 -1.38 -0.75 117.51 121.81 2juj h ILE 11 Ca 0.18 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.99 2juj h ILE 11 Cb -0.07 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 36.51 2juj h ILE 11 CO -0.04 0.02 -0.05 -0.33 0.00 0.00 0.00 178.15 177.74 2juj h GLU 12 N 0.09 0.00 0.03 2.37 4.39 -0.97 -0.23 114.58 120.26 2juj h GLU 12 Ca 0.24 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.94 2juj h GLU 12 Cb 0.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2juj h GLU 12 CO -0.42 0.05 -0.01 -0.97 -1.16 0.00 0.00 179.01 176.50 2juj h ASN 13 N 0.00 -0.03 1.45 1.42 -1.24 0.13 -0.66 115.58 116.65 2juj h ASN 13 Ca -0.00 -0.35 -0.06 0.00 0.71 0.00 0.00 56.30 56.59 2juj h ASN 13 Cb 0.16 0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.21 2juj h ASN 13 CO 0.01 0.34 -0.30 0.17 -1.29 0.00 0.00 177.43 176.36 2juj h LEU 14 N -0.41 0.00 -1.19 0.34 -0.00 -1.38 -2.51 115.31 110.16 2juj h LEU 14 Ca -0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 57.96 2juj h LEU 14 Cb 0.38 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.98 2juj h LEU 14 CO 0.01 0.30 0.57 0.24 -0.00 0.00 0.00 178.44 179.56 2juj h MET 15 N 0.00 0.91 0.00 0.17 2.86 -0.92 -0.54 114.93 117.40 2juj h MET 15 Ca -0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2juj h MET 15 Cb 1.10 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.55 2juj h MET 15 CO 0.04 0.60 0.00 0.45 1.06 0.00 0.00 176.91 179.06 2juj n SER 16 N -4.51 0.00 0.07 1.22 2.88 -0.26 -0.58 113.62 112.44 2juj n SER 16 Ca 0.14 0.50 0.12 0.00 -1.33 0.00 0.00 58.87 58.30 2juj n SER 16 Cb 0.26 -0.50 0.13 0.00 -0.75 0.00 0.00 64.21 63.35 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 4.20 -1.15 -3.48 115.11 113.22 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 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 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 1.31 1.07 3.57 3.46 0.00 0.26 -4.56 105.19 110.29 2juj n GLY 18 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.51 0.13 -3.79 1.61 4.01 -1.16 -4.81 117.16 112.64 2juj n TYR 19 Ca 0.00 0.35 -0.37 0.00 -0.16 0.00 0.00 57.90 57.73 2juj n TYR 19 Cb 0.00 -1.98 -0.06 0.00 -0.31 0.00 0.00 39.34 36.98 2juj n TYR 19 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2juj s SER 20 N -1.98 6.40 0.44 7.72 0.01 -1.26 -4.68 113.70 120.35 2juj s SER 20 Ca 0.67 0.47 0.10 0.00 1.31 0.00 0.00 55.95 58.51 2juj s SER 20 Cb -0.28 -2.10 0.98 0.00 0.21 0.00 0.00 66.02 64.83 2juj s SER 20 CO 0.57 0.33 2.07 1.88 0.41 0.00 0.00 173.24 178.50 2juj h TYR 21 N 5.43 0.38 -0.18 2.43 0.05 -1.97 0.16 116.97 123.26 2juj h TYR 21 Ca -0.51 0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.33 2juj h TYR 21 Cb 1.21 -0.13 -0.04 0.00 1.01 0.00 0.00 36.73 38.78 2juj h TYR 21 CO 0.71 0.23 -0.10 -0.56 -1.05 0.00 0.00 178.16 177.39 2juj h GLN 22 N 0.40 -0.08 0.00 4.88 3.07 -2.00 0.75 115.11 122.13 2juj h GLN 22 Ca 0.13 0.01 -0.15 0.00 0.09 0.00 0.00 58.65 58.72 2juj h GLN 22 Cb 0.02 0.02 -0.02 0.00 0.08 0.00 0.00 27.48 27.57 2juj h GLN 22 CO -0.03 -0.05 -0.73 -0.44 0.09 0.00 0.00 178.83 177.67 2juj h ASP 23 N -0.08 0.00 -0.26 0.06 3.32 -1.88 -2.88 116.42 114.70 2juj h ASP 23 Ca 0.10 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.19 2juj h ASP 23 Cb 0.24 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.75 2juj h ASP 23 CO -0.24 0.73 0.02 0.40 -1.72 0.00 0.00 179.24 178.43 2juj h ILE 24 N 0.00 0.83 -0.71 0.35 2.04 -0.43 0.41 117.51 119.99 2juj h ILE 24 Ca -0.01 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 2juj h ILE 24 Cb 1.55 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.32 2juj h ILE 24 CO 0.09 0.02 0.35 -0.61 0.00 0.00 0.00 178.15 178.00 2juj h GLN 25 N 0.10 1.01 -0.48 2.37 -0.00 -0.89 -1.46 115.11 115.76 2juj h GLN 25 Ca 0.12 -0.14 0.04 0.00 -0.00 0.00 0.00 58.65 58.67 2juj h GLN 25 Cb 0.15 -0.19 -0.04 0.00 0.00 0.00 0.00 27.48 27.40 2juj h GLN 25 CO -0.19 0.78 0.25 -0.22 0.00 0.00 0.00 178.83 179.45 2juj h LYS 26 N 1.01 0.49 -0.90 1.69 3.64 -1.03 -1.38 116.57 120.08 2juj h LYS 26 Ca 0.25 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.62 2juj h LYS 26 Cb 0.10 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 31.76 2juj h LYS 26 CO -0.03 0.32 0.59 0.00 -2.27 0.00 0.00 179.45 178.06 2juj h ALA 27 N 1.25 1.17 -0.59 5.00 0.00 0.44 -2.67 119.26 123.86 2juj h ALA 27 Ca 0.21 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 2juj h ALA 27 Cb 0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2juj h ALA 27 CO -0.14 0.49 0.09 -0.07 0.00 0.00 0.00 179.25 179.62 2juj h LEU 28 N 1.18 0.92 -1.16 0.00 3.38 -0.43 0.21 115.31 119.40 2juj h LEU 28 Ca 0.35 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 2juj h LEU 28 Cb -0.06 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 2juj h LEU 28 CO -0.10 0.93 -0.26 -0.37 0.09 0.00 0.00 178.44 178.73 2juj h VAL 29 N 0.91 1.24 0.03 1.22 -1.51 -0.93 0.40 116.25 117.61 2juj h VAL 29 Ca 0.18 -1.15 -0.28 0.00 -1.23 0.00 0.00 66.70 64.22 2juj h VAL 29 Cb 0.41 1.43 -0.03 0.00 -2.13 0.00 0.00 31.29 30.97 2juj h VAL 29 CO 0.01 0.35 -1.52 -0.29 -1.23 0.00 0.00 177.57 174.89 2juj h ILE 30 N 0.23 1.11 -0.26 7.19 -0.00 -1.37 -3.32 117.51 121.09 2juj h ILE 30 Ca 0.04 -2.87 0.00 0.00 -0.00 0.00 0.00 64.86 62.02 2juj h ILE 30 Cb 0.59 2.60 0.00 0.00 -0.00 0.00 0.00 36.82 40.01 2juj h ILE 30 CO 0.04 0.70 0.00 0.00 -0.00 0.00 0.00 178.15 178.89 2juj n ALA 31 N -2.56 2.47 -4.19 0.18 0.00 0.72 -4.90 120.51 112.23 2juj n ALA 31 Ca -0.14 -0.48 -0.29 0.00 0.00 0.00 0.00 53.44 52.53 2juj n ALA 31 Cb 1.02 -1.00 -0.07 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 0.28 -1.82 -4.21 0.00 0.00 0.26 0.55 117.38 112.45 2juj n GLN 32 Ca 0.10 0.21 -0.36 0.00 0.00 0.00 0.00 57.00 56.95 2juj n GLN 32 Cb 0.24 -3.97 -0.03 0.00 0.00 0.00 0.00 30.24 26.48 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 -2.91 -3.20 -4.79 2.61 6.94 0.12 -4.95 115.26 109.07 2juj n ASN 33 Ca -0.31 -0.99 -0.32 0.00 -0.02 0.00 0.00 54.58 52.94 2juj n ASN 33 Cb 0.69 -2.63 0.04 0.00 -2.36 0.00 0.00 39.78 35.51 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 -3.23 5.30 -0.00 0.53 0.01 0.19 -5.01 114.94 112.73 2juj s ASN 34 Ca 0.74 1.86 -0.04 0.00 -0.71 0.00 0.00 52.86 54.71 2juj s ASN 34 Cb -0.41 -2.53 -0.02 0.00 0.41 0.00 0.00 41.25 38.70 2juj s ASN 34 CO 0.91 -1.50 0.68 -0.29 -1.51 0.00 0.00 177.10 175.39 2juj h ILE 35 N -0.09 0.00 0.01 0.60 2.10 -1.92 -3.22 117.51 114.99 2juj h ILE 35 Ca -0.46 -0.06 -0.24 0.00 1.08 0.00 0.00 64.86 65.18 2juj h ILE 35 Cb 1.23 0.00 0.01 0.00 -1.09 0.00 0.00 36.82 36.97 2juj h ILE 35 CO 0.55 0.00 -1.00 -0.33 -1.08 0.00 0.00 178.15 176.29 2juj h GLU 36 N -0.19 0.52 -0.72 2.19 5.08 -1.97 -3.17 114.58 116.33 2juj h GLU 36 Ca -0.01 -0.57 -0.03 0.00 -1.00 0.00 0.00 59.36 57.74 2juj h GLU 36 Cb 0.10 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 2juj h GLU 36 CO 0.02 1.20 0.33 1.98 -1.00 0.00 0.00 179.01 181.54 2juj h MET 37 N 0.29 1.03 0.17 2.33 4.05 -1.91 0.15 114.93 121.05 2juj h MET 37 Ca -0.10 -0.15 -0.01 0.00 -0.28 0.00 0.00 59.70 59.16 2juj h MET 37 Cb 1.64 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 32.26 2juj h MET 37 CO 0.18 0.81 -0.08 0.00 0.23 0.00 0.00 176.91 178.05 2juj h ALA 38 N 1.34 -0.23 -0.17 0.39 0.00 -1.62 0.21 119.26 119.18 2juj h ALA 38 Ca 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2juj h ALA 38 Cb 0.12 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2juj h ALA 38 CO -0.03 -0.44 0.06 1.57 0.00 0.00 0.00 179.25 180.41 2juj h LYS 39 N -0.60 0.24 0.00 0.00 2.10 -1.48 -2.16 116.57 114.67 2juj h LYS 39 Ca -0.02 -0.02 -0.20 0.00 -2.00 0.00 0.00 60.65 58.41 2juj h LYS 39 Cb 0.45 -0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 31.70 2juj h LYS 39 CO 0.04 0.21 -1.00 -0.91 -2.00 0.00 0.00 179.45 175.79 2juj h ASN 40 N 0.24 0.00 -0.47 7.07 2.35 -0.60 -3.09 115.58 121.08 2juj h ASN 40 Ca 0.06 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.70 2juj h ASN 40 Cb 0.06 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 2juj h ASN 40 CO -0.01 0.88 -0.13 0.40 -1.65 0.00 0.00 177.43 176.93 2juj h ILE 41 N 0.00 1.27 -0.24 2.81 1.08 0.06 -0.45 117.51 122.04 2juj h ILE 41 Ca -0.05 -1.27 -0.00 0.00 -0.39 0.00 0.00 64.86 63.15 2juj h ILE 41 Cb 1.71 1.02 -0.01 0.00 -3.07 0.00 0.00 36.82 36.47 2juj h ILE 41 CO 0.11 0.44 0.14 -0.07 -0.69 0.00 0.00 178.15 178.08 2juj h LEU 42 N 0.84 0.29 -0.85 1.44 3.38 -1.54 1.16 115.31 120.04 2juj h LEU 42 Ca 0.13 -0.06 0.21 0.00 0.09 0.00 0.00 57.88 58.25 2juj h LEU 42 Cb 0.68 -0.07 -0.13 0.00 0.09 0.00 0.00 40.66 41.22 2juj h LEU 42 CO 0.05 0.27 0.27 -0.09 0.09 0.00 0.00 178.44 179.03 2juj h ARG 43 N 0.30 0.27 0.04 1.13 2.43 -1.41 0.95 114.38 118.10 2juj h ARG 43 Ca 0.09 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.13 2juj h ARG 43 Cb 0.03 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2juj h ARG 43 CO -0.02 0.18 -0.46 0.93 -1.51 0.00 0.00 179.97 179.09 2juj h GLU 44 N 0.28 0.24 0.00 0.20 5.08 -0.39 -3.43 114.58 116.56 2juj h GLU 44 Ca 0.52 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2juj h GLU 44 Cb 1.01 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2juj h GLU 44 CO -0.58 1.07 -0.08 0.35 -1.00 0.00 0.00 179.01 178.77 2juj h PHE 45 N -0.45 0.00 -3.36 4.33 3.57 0.20 -3.48 116.94 117.75 2juj h PHE 45 Ca -0.07 0.00 -0.66 0.00 3.53 0.00 0.00 57.97 60.77 2juj h PHE 45 Cb 1.27 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 39.87 2juj h PHE 45 CO 0.19 0.00 -0.65 0.54 -2.23 0.00 0.00 178.31 176.17 2juj s VAL 46 N -1.43 4.12 0.04 1.41 0.11 0.27 -5.04 120.40 119.88 2juj s VAL 46 Ca -0.02 -0.68 0.06 0.00 -2.93 0.00 0.00 61.98 58.40 2juj s VAL 46 Cb 0.00 -2.87 -0.03 0.00 -1.53 0.00 0.00 36.38 31.95 2juj s VAL 46 CO 0.03 0.32 -0.14 -0.94 -3.33 0.00 0.00 175.10 171.05 2juj s SER 47 N -1.72 4.11 -0.12 3.54 1.04 -1.26 -4.43 113.70 114.87 2juj s SER 47 Ca 0.21 -0.35 -0.21 0.00 0.48 0.00 0.00 55.95 56.08 2juj s SER 47 Cb -0.12 -0.77 -0.04 0.00 0.10 0.00 0.00 66.02 65.20 2juj s SER 47 CO 0.12 0.25 0.62 -0.63 0.98 0.00 0.00 173.24 174.58 2juj s ILE 48 N -0.99 5.08 -0.10 -1.02 1.01 -1.26 -4.94 121.20 118.98 2juj s ILE 48 Ca 0.16 1.23 0.16 0.00 0.00 0.00 0.00 60.65 62.21 2juj s ILE 48 Cb -0.11 -3.95 -0.15 0.00 0.01 0.00 0.00 42.46 38.26 2juj s ILE 48 CO 0.07 0.24 0.80 0.77 0.00 0.00 0.00 174.94 176.82 2juj h SER 49 N 6.93 0.00 -3.36 3.58 4.64 -1.99 -3.46 113.55 119.89 2juj h SER 49 Ca -0.38 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.37 2juj h SER 49 Cb 1.18 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.21 2juj h SER 49 CO 0.76 0.67 0.07 -0.44 -0.87 0.00 0.00 176.83 177.02 2juj s SER 50 N -5.86 6.96 -0.00 4.97 0.01 -1.26 -5.04 113.70 113.48 2juj s SER 50 Ca -0.03 1.15 -0.30 0.00 1.31 0.00 0.00 55.95 58.08 2juj s SER 50 Cb 0.08 -2.40 -0.03 0.00 0.21 0.00 0.00 66.02 63.88 2juj s SER 50 CO 0.81 -0.11 1.04 -2.16 0.41 0.00 0.00 173.24 173.23 2juj s PRO 51 N 0.83 4.50 0.77 12.44 0.04 -1.26 -4.87 135.00 147.44 2juj s PRO 51 Ca 0.36 1.51 -0.11 0.00 0.04 0.00 0.00 61.00 62.80 2juj s PRO 51 Cb -0.17 -3.45 0.05 0.00 0.04 0.00 0.00 34.50 30.96 2juj s PRO 51 CO 0.17 -0.15 1.09 0.00 0.04 0.00 0.00 177.00 178.14 2juj s ALA 52 N 1.23 2.38 0.11 8.56 0.00 -1.26 -4.88 121.76 127.90 2juj s ALA 52 Ca 0.53 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.38 2juj s ALA 52 Cb -0.23 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.76 2juj s ALA 52 CO 0.27 -1.57 0.00 0.72 0.00 0.00 0.00 175.76 175.17 2juj n HIS 53 N -3.34 -1.02 0.16 0.00 8.25 -1.26 -4.85 115.22 113.16 2juj n HIS 53 Ca 0.07 0.54 0.06 0.00 -0.26 0.00 0.00 57.72 58.13 2juj n HIS 53 Cb 0.55 -1.73 0.07 0.00 1.12 0.00 0.00 29.99 30.00 2juj n HIS 53 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2juj h VAL 54 N 0.48 0.55 -3.17 1.59 2.07 -2.05 -3.44 116.25 112.28 2juj h VAL 54 Ca 0.00 -1.78 -0.59 0.00 0.82 0.00 0.00 66.70 65.15 2juj h VAL 54 Cb 0.00 2.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.96 2juj h VAL 54 CO 0.00 0.31 -0.10 0.00 0.02 0.00 0.00 177.57 177.80 2juj s ALA 55 N -3.05 3.61 0.00 1.67 0.00 -1.26 -5.25 121.76 117.48 2juj s ALA 55 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.94 2juj s ALA 55 Cb 0.07 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.63 2juj s ALA 55 CO 0.73 0.38 0.09 2.41 0.00 0.00 0.00 175.76 179.36