#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 -5.85 -4.15 0.00 -1.04 -1.26 -5.04 114.28 96.94 2juj n THR 2 Ca 0.00 -0.69 -0.11 0.00 -2.04 0.00 0.00 64.05 61.21 2juj n THR 2 Cb 0.00 -5.02 -0.10 0.00 -1.82 0.00 0.00 70.33 63.39 2juj n THR 2 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2juj s ALA 3 N -3.29 0.90 0.35 2.41 0.00 -1.26 -5.13 121.76 115.74 2juj s ALA 3 Ca 0.17 -1.25 -0.29 0.00 0.00 0.00 0.00 51.96 50.59 2juj s ALA 3 Cb -0.02 0.14 -0.11 0.00 0.00 0.00 0.00 23.12 23.13 2juj s ALA 3 CO 0.56 -0.20 1.49 0.43 0.00 0.00 0.00 175.76 178.03 2juj n SER 4 N 0.20 3.65 0.00 0.00 7.64 -1.26 -4.84 113.62 119.01 2juj n SER 4 Ca -0.14 1.20 0.00 0.00 1.01 0.00 0.00 58.87 60.95 2juj n SER 4 Cb 0.60 -1.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 2juj n SER 4 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2juj n PRO 5 N 0.90 0.00 0.22 1.43 -0.04 -1.26 0.04 135.00 136.29 2juj n PRO 5 Ca 0.04 0.39 0.09 0.00 -0.04 0.00 0.00 63.50 63.98 2juj n PRO 5 Cb 0.38 -1.55 0.44 0.00 -0.04 0.00 0.00 33.50 32.72 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 0.00 0.00 -0.36 0.54 4.20 -1.99 -0.85 115.11 116.66 2juj h GLN 6 Ca 0.00 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 2juj h GLN 6 Cb 0.10 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 2juj h GLN 6 CO 0.00 0.25 -0.38 1.25 -0.67 0.00 0.00 178.83 179.27 2juj h LEU 7 N 0.00 0.92 -1.89 1.46 7.12 -0.73 -2.26 115.31 119.92 2juj h LEU 7 Ca -0.00 -0.42 -0.03 0.00 0.13 0.00 0.00 57.88 57.56 2juj h LEU 7 Cb 0.77 -0.26 -0.00 0.00 -0.53 0.00 0.00 40.66 40.64 2juj h LEU 7 CO 0.03 1.19 -0.13 -1.28 -0.13 0.00 0.00 178.44 178.13 2juj h SER 8 N 0.71 0.00 0.40 1.25 0.87 -1.43 0.11 113.55 115.46 2juj h SER 8 Ca 0.06 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.52 2juj h SER 8 Cb 0.96 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.91 2juj h SER 8 CO 0.09 0.13 -0.46 0.28 -0.53 0.00 0.00 176.83 176.34 2juj h SER 9 N 0.00 0.08 -0.30 6.23 0.02 -0.64 -2.66 113.55 116.29 2juj h SER 9 Ca -0.00 -0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 2juj h SER 9 Cb 0.28 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 2juj h SER 9 CO 0.02 0.53 0.08 -0.33 -1.14 0.00 0.00 176.83 175.99 2juj h GLU 10 N 0.06 0.56 -0.35 3.45 4.39 -0.45 -1.08 114.58 121.16 2juj h GLU 10 Ca 0.00 -0.10 0.06 0.00 0.34 0.00 0.00 59.36 59.66 2juj h GLU 10 Cb 0.84 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 29.34 2juj h GLU 10 CO 0.06 0.53 0.03 0.82 -1.16 0.00 0.00 179.01 179.29 2juj h ILE 11 N 0.55 0.78 -0.11 3.13 2.04 -1.27 -1.15 117.51 121.48 2juj h ILE 11 Ca 0.13 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 65.97 2juj h ILE 11 Cb 0.23 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 2juj h ILE 11 CO -0.00 0.03 0.12 -0.33 0.00 0.00 0.00 178.15 177.96 2juj h GLU 12 N 0.14 0.00 -0.14 2.37 5.08 -1.09 0.28 114.58 121.22 2juj h GLU 12 Ca 0.17 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2juj h GLU 12 Cb 0.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2juj h GLU 12 CO -0.26 0.00 0.03 -0.97 -1.00 0.00 0.00 179.01 176.82 2juj h ASN 13 N 0.00 0.21 1.33 1.42 -0.73 -0.69 -1.11 115.58 116.02 2juj h ASN 13 Ca 0.05 -0.23 -0.10 0.00 1.87 0.00 0.00 56.30 57.89 2juj h ASN 13 Cb 0.28 -0.06 -0.02 0.00 0.27 0.00 0.00 38.32 38.80 2juj h ASN 13 CO -0.00 0.39 -0.69 0.17 -0.37 0.00 0.00 177.43 176.92 2juj h LEU 14 N 0.03 0.00 -0.58 0.34 -0.00 -1.30 -3.31 115.31 110.49 2juj h LEU 14 Ca 0.04 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 58.00 2juj h LEU 14 Cb 0.26 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.85 2juj h LEU 14 CO 0.00 0.43 0.25 0.24 -0.00 0.00 0.00 178.44 179.36 2juj h MET 15 N 0.00 0.44 0.00 0.17 2.86 -0.34 -1.25 114.93 116.80 2juj h MET 15 Ca -0.04 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2juj h MET 15 Cb 1.36 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.92 2juj h MET 15 CO 0.05 0.29 0.00 -1.13 1.06 0.00 0.00 176.91 177.18 2juj n SER 16 N -4.94 0.00 0.04 1.22 3.41 -0.43 -0.54 113.62 112.37 2juj n SER 16 Ca 0.07 -0.11 0.12 0.00 -0.26 0.00 0.00 58.87 58.70 2juj n SER 16 Cb 0.22 -0.18 0.23 0.00 -0.26 0.00 0.00 64.21 64.23 2juj n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2juj n GLN 17 N -1.18 0.17 0.00 4.33 6.02 -0.47 -4.93 117.38 121.32 2juj n GLN 17 Ca 0.08 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 2juj n GLN 17 Cb 0.08 -1.61 0.00 0.00 1.02 0.00 0.00 30.24 29.73 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 1.40 1.06 3.70 1.08 0.00 0.30 -4.99 105.19 107.74 2juj n GLY 18 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 1.87 -0.20 1.61 2.02 -1.22 -4.82 117.35 114.61 2juj s TYR 19 Ca 0.00 1.69 -0.09 0.00 -0.37 0.00 0.00 57.07 58.29 2juj s TYR 19 Cb 0.00 -3.40 -0.05 0.00 -0.40 0.00 0.00 41.96 38.12 2juj s TYR 19 CO 0.00 -2.68 0.12 -1.12 -1.57 0.00 0.00 175.55 170.29 2juj s SER 20 N -2.41 6.07 0.56 2.29 0.01 -1.26 -4.71 113.70 114.25 2juj s SER 20 Ca 0.70 0.18 0.26 0.00 1.31 0.00 0.00 55.95 58.41 2juj s SER 20 Cb -0.26 -2.06 1.63 0.00 0.21 0.00 0.00 66.02 65.55 2juj s SER 20 CO 0.52 0.17 2.20 0.10 0.41 0.00 0.00 173.24 176.64 2juj h TYR 21 N 6.75 0.00 0.11 2.43 -0.00 -1.97 -0.22 116.97 124.07 2juj h TYR 21 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.33 2juj h TYR 21 Cb 1.16 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.88 2juj h TYR 21 CO 0.58 0.02 -0.09 -0.56 -0.00 0.00 0.00 178.16 178.12 2juj h GLN 22 N 0.00 -0.20 0.00 0.10 3.07 -2.00 -0.45 115.11 115.62 2juj h GLN 22 Ca -0.00 0.01 -0.06 0.00 0.09 0.00 0.00 58.65 58.69 2juj h GLN 22 Cb 0.05 0.05 -0.01 0.00 0.08 0.00 0.00 27.48 27.65 2juj h GLN 22 CO 0.00 -0.14 -0.47 -0.44 0.09 0.00 0.00 178.83 177.88 2juj h ASP 23 N -0.21 0.00 -0.09 0.06 5.19 -1.85 -3.03 116.42 116.48 2juj h ASP 23 Ca -0.00 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.43 2juj h ASP 23 Cb 0.19 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.68 2juj h ASP 23 CO -0.01 0.26 -0.04 0.40 -3.12 0.00 0.00 179.24 176.73 2juj h ILE 24 N 0.00 0.87 -0.75 0.35 2.04 -0.75 0.65 117.51 119.92 2juj h ILE 24 Ca -0.02 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 2juj h ILE 24 Cb 1.21 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 38.13 2juj h ILE 24 CO 0.03 0.00 0.38 -0.61 0.00 0.00 0.00 178.15 177.95 2juj h GLN 25 N -0.03 1.05 -0.91 2.37 4.15 -1.14 -1.16 115.11 119.44 2juj h GLN 25 Ca 0.05 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.32 2juj h GLN 25 Cb 0.10 -0.20 -0.04 0.00 0.21 0.00 0.00 27.48 27.55 2juj h GLN 25 CO -0.11 0.79 0.51 0.87 -1.93 0.00 0.00 178.83 178.97 2juj h LYS 26 N 1.05 1.26 -0.54 1.69 1.57 -1.27 -2.11 116.57 118.21 2juj h LYS 26 Ca 0.26 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.82 2juj h LYS 26 Cb 0.07 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 2juj h LYS 26 CO -0.04 0.91 0.03 0.00 -0.57 0.00 0.00 179.45 179.78 2juj h ALA 27 N 1.28 1.03 -0.49 3.86 0.00 0.11 -2.93 119.26 122.11 2juj h ALA 27 Ca 0.32 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2juj h ALA 27 Cb 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2juj h ALA 27 CO -0.05 0.61 0.11 -0.07 0.00 0.00 0.00 179.25 179.85 2juj h LEU 28 N 0.85 0.69 -0.95 0.00 3.38 -0.60 0.29 115.31 118.97 2juj h LEU 28 Ca 0.16 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 2juj h LEU 28 Cb 0.46 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2juj h LEU 28 CO 0.02 0.69 -0.50 -0.37 0.09 0.00 0.00 178.44 178.37 2juj h VAL 29 N 0.72 1.35 0.00 1.22 -1.51 -1.24 0.28 116.25 117.08 2juj h VAL 29 Ca 0.16 -1.71 -0.17 0.00 -1.23 0.00 0.00 66.70 63.75 2juj h VAL 29 Cb 0.28 1.89 -0.03 0.00 -2.13 0.00 0.00 31.29 31.30 2juj h VAL 29 CO -0.00 0.50 -1.17 -0.29 -1.23 0.00 0.00 177.57 175.38 2juj h ILE 30 N 0.06 0.78 -0.45 7.19 -0.00 -1.42 -3.34 117.51 120.32 2juj h ILE 30 Ca -0.00 -2.31 0.00 0.00 -0.00 0.00 0.00 64.86 62.55 2juj h ILE 30 Cb 0.90 2.28 0.00 0.00 -0.00 0.00 0.00 36.82 40.00 2juj h ILE 30 CO 0.07 0.44 0.00 0.00 -0.00 0.00 0.00 178.15 178.66 2juj n ALA 31 N -2.37 2.50 -4.22 0.18 0.00 0.10 -4.91 120.51 111.79 2juj n ALA 31 Ca -0.06 -0.83 -0.32 0.00 0.00 0.00 0.00 53.44 52.23 2juj n ALA 31 Cb 0.85 -0.97 -0.06 0.00 0.00 0.00 0.00 19.45 19.27 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 0.81 -1.96 -4.13 0.00 0.00 -0.31 0.32 117.38 112.10 2juj n GLN 32 Ca 0.15 0.24 -0.33 0.00 0.00 0.00 0.00 57.00 57.06 2juj n GLN 32 Cb 0.42 -4.25 -0.02 0.00 0.00 0.00 0.00 30.24 26.39 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 -2.83 -2.43 -4.74 2.61 6.94 0.83 -4.79 115.26 110.85 2juj n ASN 33 Ca -0.20 -1.00 -0.40 0.00 -0.02 0.00 0.00 54.58 52.95 2juj n ASN 33 Cb 0.63 -2.88 -0.05 0.00 -2.36 0.00 0.00 39.78 35.12 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 -3.63 7.45 0.11 0.53 0.01 0.15 -4.97 114.94 114.59 2juj s ASN 34 Ca 0.51 1.73 -0.20 0.00 -0.71 0.00 0.00 52.86 54.19 2juj s ASN 34 Cb -0.27 -2.55 -0.08 0.00 0.41 0.00 0.00 41.25 38.75 2juj s ASN 34 CO 0.91 0.05 1.71 -0.29 -1.51 0.00 0.00 177.10 177.97 2juj h ILE 35 N 3.74 1.09 -0.01 0.60 2.10 -1.93 -2.35 117.51 120.75 2juj h ILE 35 Ca -0.44 -0.25 -0.01 0.00 1.08 0.00 0.00 64.86 65.25 2juj h ILE 35 Cb 1.21 0.93 0.00 0.00 -1.09 0.00 0.00 36.82 37.86 2juj h ILE 35 CO 0.70 0.09 -0.02 -0.33 -1.08 0.00 0.00 178.15 177.51 2juj h GLU 36 N 0.20 0.02 -0.23 2.19 5.08 -1.96 -3.07 114.58 116.82 2juj h GLU 36 Ca 0.06 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 2juj h GLU 36 Cb 0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2juj h GLU 36 CO -0.01 0.66 -0.27 1.98 -1.00 0.00 0.00 179.01 180.37 2juj h MET 37 N -0.61 0.44 0.15 2.33 4.05 -1.89 -1.83 114.93 117.57 2juj h MET 37 Ca -0.00 -0.17 -0.01 0.00 -0.28 0.00 0.00 59.70 59.24 2juj h MET 37 Cb 0.66 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.44 2juj h MET 37 CO 0.00 0.67 -0.07 0.00 0.23 0.00 0.00 176.91 177.75 2juj h ALA 38 N 1.33 -0.20 0.00 0.39 0.00 -1.51 0.53 119.26 119.80 2juj h ALA 38 Ca 0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2juj h ALA 38 Cb 0.68 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2juj h ALA 38 CO 0.05 -0.49 -0.12 1.57 0.00 0.00 0.00 179.25 180.25 2juj h LYS 39 N -0.44 0.00 0.08 0.00 2.10 -1.43 -1.78 116.57 115.09 2juj h LYS 39 Ca -0.02 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.36 2juj h LYS 39 Cb 0.35 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.69 2juj h LYS 39 CO 0.03 0.12 -1.13 -0.91 -2.00 0.00 0.00 179.45 175.57 2juj h ASN 40 N 0.00 0.64 -0.45 7.07 2.35 -1.14 -2.22 115.58 121.83 2juj h ASN 40 Ca -0.00 -0.58 -0.08 0.00 -0.55 0.00 0.00 56.30 55.09 2juj h ASN 40 Cb 0.22 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 2juj h ASN 40 CO 0.02 1.40 -0.00 0.40 -1.65 0.00 0.00 177.43 177.59 2juj h ILE 41 N 0.21 1.25 0.38 2.81 1.08 -0.40 0.35 117.51 123.19 2juj h ILE 41 Ca -0.13 -1.06 -0.00 0.00 -0.39 0.00 0.00 64.86 63.28 2juj h ILE 41 Cb 1.80 0.86 -0.03 0.00 -3.07 0.00 0.00 36.82 36.38 2juj h ILE 41 CO 0.20 0.38 -0.41 -0.07 -0.69 0.00 0.00 178.15 177.56 2juj h LEU 42 N 0.81 -1.12 -0.96 1.44 -0.00 -1.33 0.64 115.31 114.78 2juj h LEU 42 Ca 0.15 0.10 0.26 0.00 -0.00 0.00 0.00 57.88 58.39 2juj h LEU 42 Cb 0.49 0.38 -0.13 0.00 -0.00 0.00 0.00 40.66 41.40 2juj h LEU 42 CO 0.02 -0.55 0.50 -0.09 -0.00 0.00 0.00 178.44 178.32 2juj h ARG 43 N -0.82 0.42 0.23 1.13 1.12 -0.77 0.67 114.38 116.36 2juj h ARG 43 Ca -0.03 -0.03 -0.33 0.00 -1.11 0.00 0.00 59.98 58.49 2juj h ARG 43 Cb 0.74 -0.09 0.03 0.00 -0.01 0.00 0.00 29.97 30.63 2juj h ARG 43 CO -0.08 0.28 -1.44 0.93 -3.11 0.00 0.00 179.97 176.55 2juj h GLU 44 N 0.43 0.49 0.00 0.20 5.08 0.10 -3.44 114.58 117.44 2juj h GLU 44 Ca 0.64 -0.83 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2juj h GLU 44 Cb 1.29 0.31 0.00 0.00 0.50 0.00 0.00 28.75 30.85 2juj h GLU 44 CO -0.54 1.40 0.00 1.19 -1.00 0.00 0.00 179.01 180.06 2juj n PHE 45 N -3.68 0.00 -3.38 4.33 3.01 0.22 -5.01 117.46 112.95 2juj n PHE 45 Ca -0.15 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 57.93 2juj n PHE 45 Cb 1.09 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 40.50 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 -0.84 5.07 0.32 -4.37 0.11 0.14 -5.03 120.40 115.80 2juj s VAL 46 Ca 0.00 0.94 0.07 0.00 -2.93 0.00 0.00 61.98 60.06 2juj s VAL 46 Cb 0.00 -3.79 -0.02 0.00 -1.53 0.00 0.00 36.38 31.04 2juj s VAL 46 CO 0.00 0.45 0.32 -0.44 -3.33 0.00 0.00 175.10 172.09 2juj s SER 47 N -0.21 5.49 0.00 3.54 0.01 -1.26 -4.18 113.70 117.09 2juj s SER 47 Ca 0.25 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.13 2juj s SER 47 Cb -0.16 -1.11 0.00 0.00 0.21 0.00 0.00 66.02 64.95 2juj s SER 47 CO 0.12 -0.32 0.00 -0.38 0.41 0.00 0.00 173.24 173.08 2juj n ILE 48 N -1.40 0.00 -3.33 1.44 5.41 -1.26 -4.66 119.36 115.55 2juj n ILE 48 Ca -0.03 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.51 2juj n ILE 48 Cb 0.59 -1.05 0.06 0.00 -0.71 0.00 0.00 39.64 38.53 2juj n ILE 48 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2juj n SER 49 N 0.00 -5.97 -4.72 4.38 2.88 -1.26 -4.93 113.62 103.99 2juj n SER 49 Ca 0.00 -0.42 -0.42 0.00 -1.33 0.00 0.00 58.87 56.70 2juj n SER 49 Cb 0.00 -4.66 -0.03 0.00 -0.75 0.00 0.00 64.21 58.77 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 -3.11 6.41 0.89 -3.46 0.01 -1.26 -4.99 113.70 108.19 2juj s SER 50 Ca 0.46 2.84 -0.14 0.00 1.31 0.00 0.00 55.95 60.42 2juj s SER 50 Cb -0.20 -2.60 0.15 0.00 0.21 0.00 0.00 66.02 63.58 2juj s SER 50 CO 0.56 -0.94 1.25 -2.16 0.41 0.00 0.00 173.24 172.36 2juj s PRO 51 N 0.95 1.20 1.31 12.44 0.05 -1.26 -4.66 135.00 145.03 2juj s PRO 51 Ca 0.73 -0.25 0.00 0.00 0.05 0.00 0.00 61.00 61.53 2juj s PRO 51 Cb -0.49 -1.91 0.00 0.00 0.05 0.00 0.00 34.50 32.15 2juj s PRO 51 CO 0.34 -2.05 0.00 0.00 0.05 0.00 0.00 177.00 175.34 2juj n ALA 52 N -3.54 0.00 -3.61 8.56 0.00 -1.26 -4.62 120.51 116.04 2juj n ALA 52 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.44 2juj n ALA 52 Cb 0.60 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.92 2juj n ALA 52 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2juj s HIS 53 N 0.00 -0.27 0.00 0.00 5.65 -1.26 -5.02 115.29 114.39 2juj s HIS 53 Ca 0.00 0.66 0.00 0.00 0.25 0.00 0.00 55.06 55.97 2juj s HIS 53 Cb 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 32.58 31.42 2juj s HIS 53 CO 0.00 -0.19 0.00 0.28 -0.65 0.00 0.00 174.74 174.18 2juj n VAL 54 N 3.99 0.00 -3.14 0.89 0.31 -1.26 -5.07 118.33 114.04 2juj n VAL 54 Ca -0.23 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.07 2juj n VAL 54 Cb 0.54 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.73 2juj n VAL 54 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2juj n ALA 55 N -2.53 -2.53 -0.34 3.52 0.00 -1.26 -5.12 120.51 112.24 2juj n ALA 55 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2juj n ALA 55 Cb 0.40 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.42 2juj n ALA 55 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91