#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 3.39 -3.98 0.00 5.66 -1.26 -4.95 114.28 113.15 2juj n THR 2 Ca 0.00 -4.06 -0.10 0.00 -3.05 0.00 0.00 64.05 56.84 2juj n THR 2 Cb 0.00 -1.22 -0.06 0.00 -1.55 0.00 0.00 70.33 67.50 2juj n THR 2 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2juj s ALA 3 N -3.93 -0.04 -0.08 1.79 0.00 -1.26 -5.13 121.76 113.12 2juj s ALA 3 Ca 0.54 -0.91 -0.30 0.00 0.00 0.00 0.00 51.96 51.30 2juj s ALA 3 Cb 0.45 0.98 -0.02 0.00 0.00 0.00 0.00 23.12 24.53 2juj s ALA 3 CO -0.27 -0.72 1.09 -1.12 0.00 0.00 0.00 175.76 174.74 2juj s SER 4 N -3.00 7.17 0.45 0.00 0.01 -1.26 -4.93 113.70 112.15 2juj s SER 4 Ca 0.20 1.66 0.20 0.00 1.31 0.00 0.00 55.95 59.32 2juj s SER 4 Cb 0.02 -2.56 1.09 0.00 0.21 0.00 0.00 66.02 64.78 2juj s SER 4 CO 0.04 -0.49 1.96 -0.65 0.41 0.00 0.00 173.24 174.51 2juj h PRO 5 N 7.22 0.00 -0.13 12.44 0.11 -1.98 -2.26 132.00 147.40 2juj h PRO 5 Ca -0.33 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.65 2juj h PRO 5 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2juj h PRO 5 CO 0.86 0.22 -0.50 -0.56 -0.21 0.00 0.00 178.00 177.81 2juj h GLN 6 N 0.00 0.34 -0.20 1.05 3.07 -1.98 0.55 115.11 117.94 2juj h GLN 6 Ca -0.00 -0.20 -0.17 0.00 0.09 0.00 0.00 58.65 58.38 2juj h GLN 6 Cb 0.46 0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.04 2juj h GLN 6 CO 0.03 0.76 -0.52 1.25 0.09 0.00 0.00 178.83 180.44 2juj h LEU 7 N 0.27 0.80 -1.68 0.06 7.12 -1.87 -2.71 115.31 117.30 2juj h LEU 7 Ca 0.01 -0.58 -0.03 0.00 0.13 0.00 0.00 57.88 57.42 2juj h LEU 7 Cb 0.98 -0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 40.87 2juj h LEU 7 CO 0.08 1.23 -0.09 -1.28 -0.13 0.00 0.00 178.44 178.26 2juj h SER 8 N 0.41 0.08 -0.07 1.25 0.87 -1.00 -0.39 113.55 114.71 2juj h SER 8 Ca -0.01 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 2juj h SER 8 Cb 1.14 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 2juj h SER 8 CO 0.11 0.19 0.03 0.28 -0.53 0.00 0.00 176.83 176.91 2juj h SER 9 N 0.09 0.13 -0.01 6.23 0.02 0.40 0.85 113.55 121.26 2juj h SER 9 Ca 0.02 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2juj h SER 9 Cb 0.22 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 2juj h SER 9 CO 0.01 0.14 0.01 -0.33 -1.14 0.00 0.00 176.83 175.51 2juj h GLU 10 N 0.15 0.01 -0.57 3.45 4.39 -0.86 -0.74 114.58 120.40 2juj h GLU 10 Ca 0.04 -0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.82 2juj h GLU 10 Cb 0.06 -0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.64 2juj h GLU 10 CO -0.00 0.04 0.20 0.82 -1.16 0.00 0.00 179.01 178.92 2juj h ILE 11 N -0.02 0.78 -0.04 3.13 5.03 -1.20 -0.12 117.51 125.08 2juj h ILE 11 Ca 0.00 -0.13 0.01 0.00 -0.12 0.00 0.00 64.86 64.63 2juj h ILE 11 Cb 0.03 0.37 -0.00 0.00 -3.03 0.00 0.00 36.82 34.19 2juj h ILE 11 CO -0.00 0.07 0.05 -0.33 -0.68 0.00 0.00 178.15 177.25 2juj h GLU 12 N 0.38 0.00 0.14 2.37 4.39 -0.46 0.72 114.58 122.12 2juj h GLU 12 Ca 0.29 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.98 2juj h GLU 12 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2juj h GLU 12 CO -0.29 0.00 -0.07 -0.97 -1.16 0.00 0.00 179.01 176.52 2juj h ASN 13 N 0.00 -0.16 1.56 1.42 -0.73 0.50 0.41 115.58 118.58 2juj h ASN 13 Ca 0.02 -0.16 -0.07 0.00 1.87 0.00 0.00 56.30 57.96 2juj h ASN 13 Cb 0.11 0.04 -0.01 0.00 0.27 0.00 0.00 38.32 38.73 2juj h ASN 13 CO -0.00 0.07 -0.33 0.17 -0.37 0.00 0.00 177.43 176.97 2juj h LEU 14 N -0.39 0.00 -1.05 0.34 -0.00 -1.37 -2.93 115.31 109.91 2juj h LEU 14 Ca -0.02 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.87 2juj h LEU 14 Cb 0.31 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.93 2juj h LEU 14 CO 0.03 0.33 0.61 0.24 -0.00 0.00 0.00 178.44 179.66 2juj h MET 15 N 0.00 1.25 0.00 0.17 2.86 -0.77 -1.29 114.93 117.15 2juj h MET 15 Ca -0.00 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2juj h MET 15 Cb 1.20 -0.28 0.00 0.00 0.06 0.00 0.00 31.60 32.58 2juj h MET 15 CO 0.04 0.84 0.00 0.45 1.06 0.00 0.00 176.91 179.30 2juj n SER 16 N -4.38 0.27 0.11 1.22 2.88 0.12 -1.35 113.62 112.50 2juj n SER 16 Ca 0.11 0.57 0.07 0.00 -1.33 0.00 0.00 58.87 58.29 2juj n SER 16 Cb 0.02 -0.63 0.01 0.00 -0.75 0.00 0.00 64.21 62.87 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 -1.27 -3.48 115.11 113.10 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 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2juj h GLN 17 CO 0.00 0.17 0.00 0.41 -0.67 0.00 0.00 178.83 178.74 2juj n GLY 18 N 1.23 1.31 3.63 3.46 0.00 -0.46 -4.99 105.19 109.38 2juj n GLY 18 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.71 1.58 -0.17 1.61 2.02 -1.19 -4.94 117.35 114.56 2juj s TYR 19 Ca 0.00 1.62 -0.08 0.00 -0.37 0.00 0.00 57.07 58.24 2juj s TYR 19 Cb 0.00 -3.27 -0.05 0.00 -0.40 0.00 0.00 41.96 38.25 2juj s TYR 19 CO 0.00 -3.06 0.12 -1.12 -1.57 0.00 0.00 175.55 169.92 2juj s SER 20 N -2.66 6.14 0.38 2.29 0.01 -1.26 -4.73 113.70 113.86 2juj s SER 20 Ca 0.67 0.27 0.11 0.00 1.31 0.00 0.00 55.95 58.31 2juj s SER 20 Cb -0.23 -2.04 0.88 0.00 0.21 0.00 0.00 66.02 64.84 2juj s SER 20 CO 0.60 0.25 1.91 1.88 0.41 0.00 0.00 173.24 178.28 2juj h TYR 21 N 6.13 0.69 0.15 2.43 0.05 -1.97 0.14 116.97 124.59 2juj h TYR 21 Ca -0.45 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.34 2juj h TYR 21 Cb 1.18 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 38.70 2juj h TYR 21 CO 0.63 0.28 -0.07 -0.56 -1.05 0.00 0.00 178.16 177.39 2juj h GLN 22 N 0.61 -0.19 0.00 4.88 3.07 -1.99 -0.14 115.11 121.34 2juj h GLN 22 Ca 0.39 0.01 -0.07 0.00 0.09 0.00 0.00 58.65 59.08 2juj h GLN 22 Cb 0.67 0.04 -0.01 0.00 0.08 0.00 0.00 27.48 28.26 2juj h GLN 22 CO -0.15 -0.01 -0.34 -0.44 0.09 0.00 0.00 178.83 177.98 2juj h ASP 23 N -0.35 0.00 -0.06 0.06 3.32 -1.88 -2.24 116.42 115.28 2juj h ASP 23 Ca -0.02 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.04 2juj h ASP 23 Cb 0.27 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 2juj h ASP 23 CO 0.03 0.34 -0.02 0.40 -1.72 0.00 0.00 179.24 178.27 2juj h ILE 24 N 0.00 0.93 -0.79 0.35 2.04 -0.50 0.60 117.51 120.13 2juj h ILE 24 Ca -0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 2juj h ILE 24 Cb 1.21 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 38.18 2juj h ILE 24 CO 0.04 0.00 0.33 -0.61 0.00 0.00 0.00 178.15 177.91 2juj h GLN 25 N -0.01 1.17 -0.53 2.37 -0.00 -0.96 -1.88 115.11 115.26 2juj h GLN 25 Ca 0.03 -0.20 0.04 0.00 -0.00 0.00 0.00 58.65 58.52 2juj h GLN 25 Cb 0.06 -0.20 -0.04 0.00 0.00 0.00 0.00 27.48 27.30 2juj h GLN 25 CO -0.07 0.94 0.30 0.87 0.00 0.00 0.00 178.83 180.87 2juj h LYS 26 N 1.15 0.56 -0.77 1.69 1.57 -0.95 -1.96 116.57 117.86 2juj h LYS 26 Ca 0.27 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 59.02 2juj h LYS 26 Cb 0.19 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 2juj h LYS 26 CO -0.02 0.37 0.51 0.00 -0.57 0.00 0.00 179.45 179.74 2juj h ALA 27 N 1.26 1.46 -0.64 3.86 0.00 0.78 -2.48 119.26 123.51 2juj h ALA 27 Ca 0.23 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2juj h ALA 27 Cb 0.09 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2juj h ALA 27 CO -0.13 0.49 0.15 -0.07 0.00 0.00 0.00 179.25 179.70 2juj h LEU 28 N 1.03 0.94 -1.06 0.00 3.38 -0.61 0.22 115.31 119.22 2juj h LEU 28 Ca 0.29 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 2juj h LEU 28 Cb -0.10 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 2juj h LEU 28 CO -0.06 0.91 -0.42 -0.37 0.09 0.00 0.00 178.44 178.58 2juj h VAL 29 N 0.95 1.31 0.00 1.22 -1.51 -0.98 0.40 116.25 117.65 2juj h VAL 29 Ca 0.20 -1.50 -0.22 0.00 -1.23 0.00 0.00 66.70 63.95 2juj h VAL 29 Cb 0.34 1.76 -0.04 0.00 -2.13 0.00 0.00 31.29 31.22 2juj h VAL 29 CO 0.00 0.44 -1.33 -0.29 -1.23 0.00 0.00 177.57 175.16 2juj h ILE 30 N 0.08 0.98 -0.39 7.19 -0.00 -1.40 -3.32 117.51 120.65 2juj h ILE 30 Ca 0.00 -2.66 0.00 0.00 -0.00 0.00 0.00 64.86 62.21 2juj h ILE 30 Cb 0.79 2.43 0.00 0.00 -0.00 0.00 0.00 36.82 40.04 2juj h ILE 30 CO 0.06 0.56 0.00 0.00 -0.00 0.00 0.00 178.15 178.77 2juj n ALA 31 N -2.43 2.62 -4.22 0.18 0.00 0.76 -4.90 120.51 112.52 2juj n ALA 31 Ca -0.09 -0.80 -0.31 0.00 0.00 0.00 0.00 53.44 52.24 2juj n ALA 31 Cb 0.94 -0.99 -0.06 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 0.63 -1.90 -3.40 0.00 0.00 -0.18 0.31 117.38 112.84 2juj n GLN 32 Ca 0.14 0.23 -0.24 0.00 0.00 0.00 0.00 57.00 57.13 2juj n GLN 32 Cb 0.44 -4.18 0.00 0.00 0.00 0.00 0.00 30.24 26.50 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 -2.84 -4.01 -4.77 2.61 6.94 0.12 -4.98 115.26 108.34 2juj n ASN 33 Ca -0.22 -0.43 -0.39 0.00 -0.02 0.00 0.00 54.58 53.52 2juj n ASN 33 Cb 0.64 -3.30 -0.05 0.00 -2.36 0.00 0.00 39.78 34.71 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 -2.78 7.26 -0.00 0.53 -0.87 0.15 -4.99 114.94 114.24 2juj s ASN 34 Ca 0.42 2.05 -0.24 0.00 -1.57 0.00 0.00 52.86 53.52 2juj s ASN 34 Cb -0.22 -2.60 -0.16 0.00 -0.02 0.00 0.00 41.25 38.25 2juj s ASN 34 CO 0.52 -0.13 1.15 -0.29 -2.57 0.00 0.00 177.10 175.77 2juj h ILE 35 N 2.81 0.66 -0.10 0.60 6.09 -1.93 -2.86 117.51 122.77 2juj h ILE 35 Ca -0.47 -0.67 -0.01 0.00 -1.37 0.00 0.00 64.86 62.34 2juj h ILE 35 Cb 1.21 0.98 -0.00 0.00 0.47 0.00 0.00 36.82 39.47 2juj h ILE 35 CO 0.66 0.12 0.01 -0.33 -3.07 0.00 0.00 178.15 175.54 2juj h GLU 36 N -0.81 0.17 -0.16 2.19 5.08 -1.96 -1.20 114.58 117.89 2juj h GLU 36 Ca -0.04 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 2juj h GLU 36 Cb 0.51 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2juj h GLU 36 CO 0.07 0.41 -0.16 1.98 -1.00 0.00 0.00 179.01 180.30 2juj h MET 37 N -0.08 0.26 0.09 2.33 4.05 -1.90 0.57 114.93 120.26 2juj h MET 37 Ca 0.03 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.38 2juj h MET 37 Cb 0.32 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.09 2juj h MET 37 CO 0.00 0.43 -0.04 0.00 0.23 0.00 0.00 176.91 177.53 2juj h ALA 38 N 1.59 -0.12 0.00 0.39 0.00 -1.35 -0.56 119.26 119.21 2juj h ALA 38 Ca 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2juj h ALA 38 Cb 0.44 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2juj h ALA 38 CO 0.03 -0.31 -0.10 1.57 0.00 0.00 0.00 179.25 180.44 2juj h LYS 39 N -0.65 0.00 -0.04 0.00 2.10 -1.00 -1.92 116.57 115.05 2juj h LYS 39 Ca -0.01 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.39 2juj h LYS 39 Cb 0.52 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.87 2juj h LYS 39 CO 0.02 0.10 -0.96 -0.91 -2.00 0.00 0.00 179.45 175.70 2juj h ASN 40 N 0.00 0.89 -0.66 7.07 2.35 -0.84 -2.54 115.58 121.86 2juj h ASN 40 Ca -0.00 -0.67 -0.06 0.00 -0.55 0.00 0.00 56.30 55.02 2juj h ASN 40 Cb 0.18 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 2juj h ASN 40 CO 0.01 1.48 0.20 0.40 -1.65 0.00 0.00 177.43 177.87 2juj h ILE 41 N 0.42 1.25 -0.08 2.81 1.08 -0.36 0.31 117.51 122.94 2juj h ILE 41 Ca -0.10 -0.88 -0.00 0.00 -0.39 0.00 0.00 64.86 63.49 2juj h ILE 41 Cb 1.61 0.51 -0.00 0.00 -3.07 0.00 0.00 36.82 35.87 2juj h ILE 41 CO 0.19 0.34 0.05 -0.07 -0.69 0.00 0.00 178.15 177.97 2juj h LEU 42 N 1.00 0.10 -1.52 1.44 -0.00 -1.43 0.61 115.31 115.51 2juj h LEU 42 Ca 0.22 -0.04 0.14 0.00 -0.00 0.00 0.00 57.88 58.20 2juj h LEU 42 Cb 0.30 -0.02 -0.05 0.00 -0.00 0.00 0.00 40.66 40.88 2juj h LEU 42 CO -0.01 0.10 0.50 -0.09 -0.00 0.00 0.00 178.44 178.95 2juj h ARG 43 N 0.08 0.47 0.00 1.13 1.12 -0.89 0.68 114.38 116.97 2juj h ARG 43 Ca 0.03 -0.03 -0.20 0.00 -1.11 0.00 0.00 59.98 58.67 2juj h ARG 43 Cb 0.03 -0.11 -0.03 0.00 -0.01 0.00 0.00 29.97 29.85 2juj h ARG 43 CO -0.01 0.31 -1.24 0.93 -3.11 0.00 0.00 179.97 176.86 2juj h GLU 44 N 0.48 0.00 0.00 0.20 5.08 0.11 -3.45 114.58 117.00 2juj h GLU 44 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 2juj h GLU 44 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2juj h GLU 44 CO -0.13 0.52 0.00 1.19 -1.00 0.00 0.00 179.01 179.60 2juj n PHE 45 N -3.09 0.00 -3.47 4.33 3.72 0.21 -5.03 117.46 114.14 2juj n PHE 45 Ca -0.07 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.93 2juj n PHE 45 Cb 0.90 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.34 2juj n PHE 45 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2juj s VAL 46 N -0.06 5.23 0.46 -4.37 0.11 0.11 -5.00 120.40 116.87 2juj s VAL 46 Ca 0.00 0.16 0.02 0.00 -2.93 0.00 0.00 61.98 59.23 2juj s VAL 46 Cb 0.00 -3.70 0.02 0.00 -1.53 0.00 0.00 36.38 31.17 2juj s VAL 46 CO 0.00 0.07 0.17 -1.54 -3.33 0.00 0.00 175.10 170.48 2juj n SER 47 N 5.24 2.88 -4.52 3.54 3.41 -1.25 -4.09 113.62 118.83 2juj n SER 47 Ca -0.11 -2.79 -0.27 0.00 -0.26 0.00 0.00 58.87 55.44 2juj n SER 47 Cb 0.50 0.14 -0.10 0.00 -0.26 0.00 0.00 64.21 64.49 2juj n SER 47 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2juj s ILE 48 N -2.48 2.93 -0.58 -1.33 -4.36 -1.26 -4.93 121.20 109.19 2juj s ILE 48 Ca 0.13 -1.71 -0.04 0.00 -0.26 0.00 0.00 60.65 58.77 2juj s ILE 48 Cb -0.01 -2.42 0.06 0.00 1.25 0.00 0.00 42.46 41.34 2juj s ILE 48 CO 0.08 -0.07 2.73 -0.24 0.24 0.00 0.00 174.94 177.69 2juj n SER 49 N 0.26 6.68 -4.80 4.36 2.88 -1.26 -4.98 113.62 116.76 2juj n SER 49 Ca -0.12 -3.18 -0.34 0.00 -1.33 0.00 0.00 58.87 53.90 2juj n SER 49 Cb 0.55 -1.26 -0.02 0.00 -0.75 0.00 0.00 64.21 62.73 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 0.39 6.20 0.00 -3.46 1.04 -1.26 -4.91 113.70 111.71 2juj s SER 50 Ca 0.58 1.90 0.00 0.00 0.48 0.00 0.00 55.95 58.92 2juj s SER 50 Cb 0.35 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.92 2juj s SER 50 CO -0.20 -0.88 0.44 -2.65 0.98 0.00 0.00 173.24 170.93 2juj n PRO 51 N -1.23 0.59 -1.72 4.02 -0.02 -1.26 -4.46 135.00 130.92 2juj n PRO 51 Ca 0.09 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.16 2juj n PRO 51 Cb 0.53 -1.15 -0.00 0.00 -0.02 0.00 0.00 33.50 32.85 2juj n PRO 51 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2juj n ALA 52 N -0.15 5.89 -3.34 3.55 0.00 -1.26 -4.83 120.51 120.38 2juj n ALA 52 Ca 0.00 -3.87 -0.12 0.00 0.00 0.00 0.00 53.44 49.45 2juj n ALA 52 Cb 0.07 -3.45 -0.03 0.00 0.00 0.00 0.00 19.45 16.04 2juj n ALA 52 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2juj s HIS 53 N 2.70 -0.48 -1.30 0.00 -3.43 -1.26 -5.08 115.29 106.44 2juj s HIS 53 Ca 0.50 0.34 -0.16 0.00 -0.80 0.00 0.00 55.06 54.94 2juj s HIS 53 Cb 0.14 0.47 0.10 0.00 -1.43 0.00 0.00 32.58 31.86 2juj s HIS 53 CO -0.08 -0.78 1.73 1.33 -2.00 0.00 0.00 174.74 174.95 2juj n VAL 54 N -0.15 3.99 -0.01 -5.38 0.24 -1.26 -4.72 118.33 111.05 2juj n VAL 54 Ca -0.17 -4.15 -0.00 0.00 -2.04 0.00 0.00 64.34 57.98 2juj n VAL 54 Cb 0.64 -2.42 -0.00 0.00 -1.47 0.00 0.00 33.84 30.59 2juj n VAL 54 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2juj h ALA 55 N 7.11 0.00 -0.03 2.33 0.00 -1.98 -3.56 119.26 123.13 2juj h ALA 55 Ca 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2juj h ALA 55 Cb 0.82 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2juj h ALA 55 CO 1.47 0.01 0.00 0.25 0.00 0.00 0.00 179.25 180.98