#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2juz n ALA 2 N 0.00 0.00 -2.22 3.17 0.00 -1.26 -4.94 120.51 115.26 2juz n ALA 2 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2juz n ALA 2 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2juz n ALA 2 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2juz s GLN 3 N 0.59 3.36 0.00 0.00 -0.21 -1.26 -4.75 119.66 117.39 2juz s GLN 3 Ca 0.00 0.97 0.00 0.00 0.02 0.00 0.00 55.36 56.35 2juz s GLN 3 Cb 0.00 -4.13 0.00 0.00 1.00 0.00 0.00 33.01 29.88 2juz s GLN 3 CO 0.00 -1.83 0.62 -2.39 -2.12 0.00 0.00 175.29 169.57 2juz n HIS 4 N 9.78 0.00 -2.49 0.91 1.44 -1.26 -4.99 115.22 118.61 2juz n HIS 4 Ca 0.18 -0.19 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 2juz n HIS 4 Cb 0.48 -0.02 -0.03 0.00 0.12 0.00 0.00 29.99 30.55 2juz n HIS 4 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 2juz s SER 5 N -0.37 6.28 -0.02 4.39 0.01 -1.26 -4.85 113.70 117.88 2juz s SER 5 Ca 0.00 0.15 0.10 0.00 1.31 0.00 0.00 55.95 57.51 2juz s SER 5 Cb 0.00 -2.55 0.31 0.00 0.21 0.00 0.00 66.02 63.99 2juz s SER 5 CO 0.00 -1.61 1.22 2.29 0.41 0.00 0.00 173.24 175.55 2juz n LYS 6 N 8.61 1.96 -2.70 12.44 2.85 -1.26 -4.95 118.16 135.11 2juz n LYS 6 Ca 0.10 -1.27 -0.05 0.00 -1.05 0.00 0.00 58.31 56.04 2juz n LYS 6 Cb 0.49 -1.37 0.01 0.00 -0.65 0.00 0.00 35.03 33.51 2juz n LYS 6 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2juz n TYR 7 N 0.46 -3.40 -4.55 5.58 4.02 -1.26 -5.04 117.16 112.98 2juz n TYR 7 Ca 0.12 1.42 -0.32 0.00 -0.01 0.00 0.00 57.90 59.11 2juz n TYR 7 Cb 0.36 -3.88 -0.11 0.00 -0.02 0.00 0.00 39.34 35.68 2juz n TYR 7 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 2juz s SER 8 N -2.15 4.41 0.50 7.72 0.01 -1.26 -4.98 113.70 117.95 2juz s SER 8 Ca 0.15 -0.19 0.17 0.00 1.31 0.00 0.00 55.95 57.38 2juz s SER 8 Cb -0.04 -0.98 1.23 0.00 0.21 0.00 0.00 66.02 66.44 2juz s SER 8 CO 0.72 0.29 2.11 -2.24 0.41 0.00 0.00 173.24 174.53 2juz h ASP 9 N 4.66 0.00 -0.26 2.44 2.03 -1.98 0.36 116.42 123.67 2juz h ASP 9 Ca -0.48 0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 55.65 2juz h ASP 9 Cb 1.16 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.66 2juz h ASP 9 CO 0.52 0.05 -0.46 0.00 -1.03 0.00 0.00 179.24 178.32 2juz h ALA 10 N 1.95 0.59 -0.16 4.15 0.00 -1.99 -0.71 119.26 123.09 2juz h ALA 10 Ca -0.00 -0.48 -0.13 0.00 0.00 0.00 0.00 54.91 54.30 2juz h ALA 10 Cb 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2juz h ALA 10 CO 0.01 0.68 -0.42 0.37 0.00 0.00 0.00 179.25 179.89 2juz h GLN 11 N 0.66 0.57 0.41 0.00 4.15 -1.55 -2.62 115.11 116.73 2juz h GLN 11 Ca 0.04 -0.40 -0.02 0.00 0.77 0.00 0.00 58.65 59.05 2juz h GLN 11 Cb 1.04 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.79 2juz h GLN 11 CO 0.10 1.01 -0.24 1.25 -1.93 0.00 0.00 178.83 179.03 2juz h LEU 12 N 0.22 -0.60 -1.25 -2.39 5.85 -0.35 -2.53 115.31 114.26 2juz h LEU 12 Ca -0.01 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.84 2juz h LEU 12 Cb 1.03 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 42.17 2juz h LEU 12 CO 0.09 -0.39 0.55 0.77 -0.34 0.00 0.00 178.44 179.12 2juz h SER 13 N -0.62 0.76 -0.82 1.25 4.64 -1.16 0.87 113.55 118.47 2juz h SER 13 Ca -0.05 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2juz h SER 13 Cb 0.50 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.41 2juz h SER 13 CO 0.06 0.46 0.52 0.00 -0.87 0.00 0.00 176.83 177.00 2juz h ALA 14 N 1.57 1.04 0.02 5.18 0.00 -1.27 0.25 119.26 126.05 2juz h ALA 14 Ca 0.39 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 2juz h ALA 14 Cb 0.38 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2juz h ALA 14 CO -0.16 0.47 -0.01 0.82 0.00 0.00 0.00 179.25 180.38 2juz h ILE 15 N 1.11 1.21 -0.51 0.00 2.04 -0.47 -2.64 117.51 118.25 2juz h ILE 15 Ca 0.30 -0.72 -0.09 0.00 1.00 0.00 0.00 64.86 65.35 2juz h ILE 15 Cb -0.10 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 2juz h ILE 15 CO -0.06 0.18 -0.03 0.58 0.00 0.00 0.00 178.15 178.82 2juz h VAL 16 N -0.34 1.26 -0.40 1.67 2.07 -0.95 -1.46 116.25 118.10 2juz h VAL 16 Ca -0.00 -1.11 0.05 0.00 0.82 0.00 0.00 66.70 66.46 2juz h VAL 16 Cb 0.32 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 2juz h VAL 16 CO 0.00 0.39 0.11 -1.13 0.02 0.00 0.00 177.57 176.97 2juz h ASN 17 N 0.81 0.09 -0.11 0.57 -0.73 -0.49 -0.60 115.58 115.11 2juz h ASN 17 Ca 0.15 0.05 -0.02 0.00 1.87 0.00 0.00 56.30 58.35 2juz h ASN 17 Cb 0.53 0.06 -0.00 0.00 0.27 0.00 0.00 38.32 39.17 2juz h ASN 17 CO 0.03 0.08 0.00 -0.78 -0.37 0.00 0.00 177.43 176.39 2juz h ASP 18 N 0.26 0.19 -0.62 1.15 3.58 -1.20 0.53 116.42 120.31 2juz h ASP 18 Ca 0.19 -0.31 0.12 0.00 0.42 0.00 0.00 57.03 57.45 2juz h ASP 18 Cb 0.19 -0.05 -0.09 0.00 1.72 0.00 0.00 39.33 41.10 2juz h ASP 18 CO -0.22 0.45 0.13 -0.03 -2.88 0.00 0.00 179.24 176.70 2juz h MET 19 N -0.08 0.26 -0.22 0.28 4.05 -0.92 0.45 114.93 118.75 2juz h MET 19 Ca 0.03 -0.02 -0.10 0.00 -0.28 0.00 0.00 59.70 59.34 2juz h MET 19 Cb 0.35 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 31.09 2juz h MET 19 CO 0.01 0.17 -0.25 0.82 0.23 0.00 0.00 176.91 177.88 2juz h ILE 20 N 0.26 1.33 -0.33 1.77 2.04 -1.02 -2.20 117.51 119.35 2juz h ILE 20 Ca 0.33 -1.44 -0.07 0.00 1.00 0.00 0.00 64.86 64.68 2juz h ILE 20 Cb 0.50 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 2juz h ILE 20 CO -0.42 0.44 -0.09 0.00 0.00 0.00 0.00 178.15 178.09 2juz h ALA 21 N 0.64 1.22 -0.18 1.87 0.00 0.17 0.25 119.26 123.24 2juz h ALA 21 Ca 0.03 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 2juz h ALA 21 Cb 0.82 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2juz h ALA 21 CO 0.06 0.51 -0.19 0.28 0.00 0.00 0.00 179.25 179.90 2juz h VAL 22 N 0.52 1.34 -0.41 0.00 2.07 -0.17 -1.65 116.25 117.95 2juz h VAL 22 Ca 0.10 -1.37 -0.02 0.00 0.82 0.00 0.00 66.70 66.23 2juz h VAL 22 Cb 0.47 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 2juz h VAL 22 CO 0.03 0.41 0.17 0.25 0.02 0.00 0.00 177.57 178.45 2juz h LEU 23 N 0.09 0.52 -1.19 2.57 5.85 -1.03 -1.53 115.31 120.60 2juz h LEU 23 Ca 0.03 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 2juz h LEU 23 Cb 0.74 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 2juz h LEU 23 CO 0.05 0.47 -0.16 -0.08 -0.34 0.00 0.00 178.44 178.38 2juz h GLU 24 N 0.58 0.36 -0.34 1.25 4.81 -0.33 0.48 114.58 121.39 2juz h GLU 24 Ca 0.14 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 2juz h GLU 24 Cb 0.11 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2juz h GLU 24 CO -0.02 0.52 -0.02 0.87 -0.73 0.00 0.00 179.01 179.64 2juz h LYS 25 N 0.34 0.62 -0.00 1.92 1.79 -0.29 -2.62 116.57 118.31 2juz h LYS 25 Ca 0.06 -0.21 -0.16 0.00 -2.18 0.00 0.00 60.65 58.16 2juz h LYS 25 Cb 0.49 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.07 2juz h LYS 25 CO 0.03 0.75 -0.77 1.25 -1.08 0.00 0.00 179.45 179.64 2juz h HIS 26 N 0.42 0.07 -5.23 -1.35 2.76 -1.35 -3.49 115.15 106.98 2juz h HIS 26 Ca 0.09 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 2juz h HIS 26 Cb 0.49 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.44 2juz h HIS 26 CO 0.04 0.79 -0.26 1.17 -1.30 0.00 0.00 177.93 178.38 2juz n LYS 27 N -3.66 -1.82 -2.82 5.26 3.00 0.17 -4.99 118.16 113.30 2juz n LYS 27 Ca -0.01 1.79 -0.40 0.00 -0.00 0.00 0.00 58.31 59.68 2juz n LYS 27 Cb 0.74 -5.57 -0.06 0.00 0.00 0.00 0.00 35.03 30.14 2juz n LYS 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2juz s ALA 28 N -2.76 3.37 0.00 3.14 0.00 -1.22 -4.95 121.76 119.35 2juz s ALA 28 Ca 0.13 0.54 -0.01 0.00 0.00 0.00 0.00 51.96 52.62 2juz s ALA 28 Cb -0.04 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 2juz s ALA 28 CO 0.73 0.23 2.01 -0.35 0.00 0.00 0.00 175.76 178.39 2juz n PRO 29 N 1.54 1.02 0.00 0.00 -0.04 -1.26 -4.81 135.00 131.46 2juz n PRO 29 Ca -0.03 -0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2juz n PRO 29 Cb 0.48 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 2juz n PRO 29 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2juz n VAL 30 N 1.64 0.00 0.22 0.52 0.31 -1.26 -4.52 118.33 115.24 2juz n VAL 30 Ca 0.04 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.22 2juz n VAL 30 Cb 0.50 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.36 2juz n VAL 30 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 2juz h ASP 31 N 0.00 -0.82 -0.86 4.52 3.58 -2.00 -1.57 116.42 119.27 2juz h ASP 31 Ca 0.00 0.07 0.03 0.00 0.42 0.00 0.00 57.03 57.55 2juz h ASP 31 Cb 0.00 0.27 -0.05 0.00 1.72 0.00 0.00 39.33 41.27 2juz h ASP 31 CO 0.00 -0.45 0.56 -0.07 -2.88 0.00 0.00 179.24 176.40 2juz h LEU 32 N -0.67 0.93 -1.32 2.28 3.38 -1.93 -2.00 115.31 115.99 2juz h LEU 32 Ca -0.02 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2juz h LEU 32 Cb 0.60 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2juz h LEU 32 CO -0.04 0.65 -0.34 0.77 0.09 0.00 0.00 178.44 179.57 2juz h SER 33 N 1.09 0.00 0.80 -0.43 4.64 -1.83 -1.07 113.55 116.75 2juz h SER 33 Ca 0.34 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.51 2juz h SER 33 Cb -0.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 2juz h SER 33 CO -0.11 0.34 -0.69 -0.07 -0.87 0.00 0.00 176.83 175.44 2juz h LEU 34 N 0.00 0.00 -0.16 5.97 3.38 -0.58 -1.12 115.31 122.80 2juz h LEU 34 Ca -0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 2juz h LEU 34 Cb 0.61 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.37 2juz h LEU 34 CO 0.04 0.69 -0.61 0.40 0.09 0.00 0.00 178.44 179.05 2juz h ILE 35 N 0.00 1.31 -0.78 1.22 2.04 -0.81 0.18 117.51 120.67 2juz h ILE 35 Ca -0.01 -1.84 0.00 0.00 1.00 0.00 0.00 64.86 64.01 2juz h ILE 35 Cb 1.27 1.99 -0.04 0.00 -0.74 0.00 0.00 36.82 39.30 2juz h ILE 35 CO 0.09 0.58 0.50 0.00 0.00 0.00 0.00 178.15 179.31 2juz h ALA 36 N 0.55 0.99 -0.38 1.87 0.00 -1.17 0.30 119.26 121.42 2juz h ALA 36 Ca -0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2juz h ALA 36 Cb 1.24 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2juz h ALA 36 CO 0.13 0.43 0.22 1.25 0.00 0.00 0.00 179.25 181.28 2juz h LEU 37 N 1.07 0.47 -0.19 0.00 6.46 -1.09 -0.19 115.31 121.83 2juz h LEU 37 Ca 0.28 -0.08 0.01 0.00 -0.12 0.00 0.00 57.88 57.98 2juz h LEU 37 Cb -0.08 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 39.71 2juz h LEU 37 CO -0.06 0.41 0.10 1.23 -0.62 0.00 0.00 178.44 179.50 2juz h GLY 38 N 0.49 0.26 0.48 3.75 0.00 0.03 0.41 103.07 108.49 2juz h GLY 38 Ca 0.13 -0.07 0.06 0.00 0.00 0.00 0.00 47.33 47.45 2juz h GLY 38 CO -0.02 0.06 -0.01 -0.57 0.00 0.00 0.00 176.54 176.00 2juz h ASN 39 N 0.21 -0.14 -0.38 0.19 -0.73 -0.24 -1.25 115.58 113.23 2juz h ASN 39 Ca 0.08 0.07 -0.13 0.00 1.87 0.00 0.00 56.30 58.19 2juz h ASN 39 Cb 0.01 0.13 -0.01 0.00 0.27 0.00 0.00 38.32 38.73 2juz h ASN 39 CO -0.05 -0.04 -0.28 -0.03 -0.37 0.00 0.00 177.43 176.67 2juz h MET 40 N 0.08 0.87 -0.38 6.67 4.05 -0.67 -1.70 114.93 123.86 2juz h MET 40 Ca 0.15 -0.42 0.02 0.00 -0.28 0.00 0.00 59.70 59.18 2juz h MET 40 Cb 0.21 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.98 2juz h MET 40 CO -0.27 1.06 0.21 0.00 0.23 0.00 0.00 176.91 178.15 2juz h ALA 41 N 0.79 0.47 -0.32 0.39 0.00 -0.01 0.79 119.26 121.37 2juz h ALA 41 Ca 0.07 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2juz h ALA 41 Cb 0.85 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2juz h ALA 41 CO 0.07 -0.13 0.20 0.77 0.00 0.00 0.00 179.25 180.16 2juz h SER 42 N 0.43 0.34 -0.37 0.00 0.02 -1.12 0.17 113.55 113.03 2juz h SER 42 Ca 0.15 -0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.15 2juz h SER 42 Cb 0.02 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 2juz h SER 42 CO -0.08 0.25 0.12 -1.13 -1.14 0.00 0.00 176.83 174.84 2juz h ASN 43 N 0.41 0.11 -0.21 3.07 -1.24 -0.77 -1.16 115.58 115.79 2juz h ASN 43 Ca 0.12 0.05 -0.09 0.00 0.71 0.00 0.00 56.30 57.09 2juz h ASN 43 Cb -0.03 0.04 -0.00 0.00 0.73 0.00 0.00 38.32 39.06 2juz h ASN 43 CO -0.04 0.10 -0.21 -0.07 -1.29 0.00 0.00 177.43 175.92 2juz h LEU 44 N 0.26 0.55 -0.02 0.34 3.38 -0.60 -2.78 115.31 116.45 2juz h LEU 44 Ca 0.17 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2juz h LEU 44 Cb 0.17 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2juz h LEU 44 CO -0.19 0.91 0.00 0.18 0.09 0.00 0.00 178.44 179.43 2juz n LEU 45 N -4.42 0.02 -0.64 1.67 4.77 0.59 -0.10 117.00 118.89 2juz n LEU 45 Ca -0.05 0.50 0.06 0.00 -0.03 0.00 0.00 56.01 56.50 2juz n LEU 45 Cb 0.41 -0.50 0.12 0.00 -2.33 0.00 0.00 43.42 41.12 2juz n LEU 45 CO 0.42 -0.25 0.57 0.35 -1.33 0.00 0.00 177.39 177.15 2juz n THR 46 N -1.52 0.59 0.00 -5.08 -2.24 -0.46 -4.68 114.28 100.89 2juz n THR 46 Ca 0.04 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 2juz n THR 46 Cb 0.18 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 2juz n THR 46 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2juz n THR 47 N 0.69 0.00 -1.39 4.28 -1.04 -0.51 -4.92 114.28 111.38 2juz n THR 47 Ca 0.11 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.10 2juz n THR 47 Cb 0.40 -0.52 0.21 0.00 -1.82 0.00 0.00 70.33 68.60 2juz n THR 47 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2juz n SER 48 N -2.27 2.62 -4.33 8.00 7.64 0.86 -4.97 113.62 121.16 2juz n SER 48 Ca 0.00 -3.66 -0.25 0.00 1.01 0.00 0.00 58.87 55.97 2juz n SER 48 Cb 0.16 -0.61 -0.12 0.00 -1.01 0.00 0.00 64.21 62.63 2juz n SER 48 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2juz s VAL 49 N -3.18 1.92 0.18 0.44 -7.23 -1.25 -4.98 120.40 106.29 2juz s VAL 49 Ca 0.44 -1.68 -0.32 0.00 -1.81 0.00 0.00 61.98 58.60 2juz s VAL 49 Cb 0.39 -1.75 -0.12 0.00 0.56 0.00 0.00 36.38 35.46 2juz s VAL 49 CO 0.01 -0.05 1.72 -2.65 -0.31 0.00 0.00 175.10 173.81 2juz n PRO 50 N 0.89 2.63 -0.22 4.82 -0.02 -1.26 -4.90 135.00 136.94 2juz n PRO 50 Ca -0.18 0.95 -0.06 0.00 -2.02 0.00 0.00 63.50 62.19 2juz n PRO 50 Cb 0.54 -2.79 0.04 0.00 -0.02 0.00 0.00 33.50 31.27 2juz n PRO 50 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2juz h GLN 51 N 6.95 0.84 -0.00 -0.52 7.50 -1.99 0.49 115.11 128.37 2juz h GLN 51 Ca -0.44 -0.08 0.00 0.00 0.50 0.00 0.00 58.65 58.63 2juz h GLN 51 Cb 1.22 -0.17 0.00 0.00 0.05 0.00 0.00 27.48 28.57 2juz h GLN 51 CO 0.94 0.61 -0.52 -2.37 -1.50 0.00 0.00 178.83 175.99 2juz n THR 52 N -4.60 0.00 -0.99 -0.54 5.66 -1.26 -3.77 114.28 108.78 2juz n THR 52 Ca 0.04 -0.01 0.09 0.00 -3.05 0.00 0.00 64.05 61.12 2juz n THR 52 Cb 0.06 0.33 0.16 0.00 -1.55 0.00 0.00 70.33 69.33 2juz n THR 52 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2juz n GLN 53 N -1.41 1.74 -0.12 1.09 6.02 -0.93 -4.73 117.38 119.05 2juz n GLN 53 Ca 0.06 -2.57 -0.09 0.00 -0.01 0.00 0.00 57.00 54.39 2juz n GLN 53 Cb 0.34 -1.55 -0.01 0.00 1.02 0.00 0.00 30.24 30.05 2juz n GLN 53 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2juz h GLU 55 N 0.48 0.83 0.52 0.00 5.08 -1.86 -1.71 114.58 117.91 2juz h GLU 55 Ca 0.13 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2juz h GLU 55 Cb 0.03 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.17 2juz h GLU 55 CO -0.02 0.79 -0.25 0.00 -1.00 0.00 0.00 179.01 178.53 2juz h ALA 56 N 1.00 -0.69 -0.30 3.43 0.00 -1.84 -0.26 119.26 120.59 2juz h ALA 56 Ca 0.16 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2juz h ALA 56 Cb 0.34 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2juz h ALA 56 CO 0.00 -0.85 -0.12 -0.07 0.00 0.00 0.00 179.25 178.22 2juz h LEU 57 N -0.78 0.50 -0.59 0.00 4.07 -1.37 0.87 115.31 118.01 2juz h LEU 57 Ca -0.07 -0.13 -0.10 0.00 0.08 0.00 0.00 57.88 57.66 2juz h LEU 57 Cb 0.57 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.15 2juz h LEU 57 CO 0.12 0.65 -0.02 0.00 -1.08 0.00 0.00 178.44 178.11 2juz h ALA 58 N 1.40 0.80 -0.45 1.53 0.00 -1.21 -0.29 119.26 121.04 2juz h ALA 58 Ca 0.09 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 2juz h ALA 58 Cb 0.49 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2juz h ALA 58 CO 0.03 0.66 -0.26 0.37 0.00 0.00 0.00 179.25 180.04 2juz h GLN 59 N 0.95 0.97 -0.36 0.00 5.75 -0.52 -2.43 115.11 119.48 2juz h GLN 59 Ca 0.16 -0.44 -0.01 0.00 -0.15 0.00 0.00 58.65 58.22 2juz h GLN 59 Cb 0.59 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.10 2juz h GLN 59 CO 0.03 1.11 0.19 0.00 -2.65 0.00 0.00 178.83 177.51 2juz h ALA 60 N 0.86 0.46 0.02 3.38 0.00 -0.61 0.40 119.26 123.76 2juz h ALA 60 Ca 0.10 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2juz h ALA 60 Cb 0.84 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2juz h ALA 60 CO 0.07 -0.01 -0.06 0.35 0.00 0.00 0.00 179.25 179.60 2juz h PHE 61 N 0.45 -0.15 0.48 0.00 3.57 -1.02 0.17 116.94 120.42 2juz h PHE 61 Ca 0.12 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 2juz h PHE 61 Cb 0.07 0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.88 2juz h PHE 61 CO -0.02 -0.10 -0.24 1.03 -2.23 0.00 0.00 178.31 176.75 2juz h SER 62 N -0.12 -0.56 -0.72 0.41 0.87 -1.25 -2.37 113.55 109.81 2juz h SER 62 Ca 0.02 0.02 0.13 0.00 -1.23 0.00 0.00 61.79 60.73 2juz h SER 62 Cb 0.14 0.15 -0.09 0.00 -0.44 0.00 0.00 62.40 62.16 2juz h SER 62 CO -0.05 -0.40 0.28 -1.13 -0.53 0.00 0.00 176.83 175.00 2juz h ASN 63 N -0.65 0.27 -0.34 6.23 -0.73 -0.06 0.20 115.58 120.49 2juz h ASN 63 Ca -0.06 0.10 -0.04 0.00 1.87 0.00 0.00 56.30 58.17 2juz h ASN 63 Cb 0.50 0.08 -0.02 0.00 0.27 0.00 0.00 38.32 39.15 2juz h ASN 63 CO 0.10 0.12 0.09 -1.28 -0.37 0.00 0.00 177.43 176.09 2juz h SER 64 N 0.44 0.58 0.11 1.15 0.87 -0.82 -0.61 113.55 115.27 2juz h SER 64 Ca 0.39 -0.09 -0.24 0.00 -1.23 0.00 0.00 61.79 60.62 2juz h SER 64 Cb 0.56 -0.15 0.01 0.00 -0.44 0.00 0.00 62.40 62.38 2juz h SER 64 CO -0.38 0.59 -0.93 -0.07 -0.53 0.00 0.00 176.83 175.50 2juz h LEU 65 N 0.61 0.75 -0.59 2.23 3.38 -0.35 -1.60 115.31 119.74 2juz h LEU 65 Ca 0.14 -0.57 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 2juz h LEU 65 Cb 0.25 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2juz h LEU 65 CO -0.00 1.37 0.35 0.40 0.09 0.00 0.00 178.44 180.65 2juz h ILE 66 N 0.36 1.18 -0.87 1.22 1.08 -0.27 0.15 117.51 120.36 2juz h ILE 66 Ca -0.09 -0.41 -0.02 0.00 -0.39 0.00 0.00 64.86 63.95 2juz h ILE 66 Cb 1.57 0.38 -0.04 0.00 -3.07 0.00 0.00 36.82 35.66 2juz h ILE 66 CO 0.18 0.19 0.48 -1.13 -0.69 0.00 0.00 178.15 177.17 2juz h ASN 67 N 0.80 1.09 -0.71 1.72 -1.24 -1.11 -0.03 115.58 116.10 2juz h ASN 67 Ca 0.21 -0.10 -0.02 0.00 0.71 0.00 0.00 56.30 57.10 2juz h ASN 67 Cb -0.01 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 38.73 2juz h ASN 67 CO -0.04 0.87 0.37 0.00 -1.29 0.00 0.00 177.43 177.34 2juz h ALA 68 N 1.26 0.91 -0.63 1.57 0.00 -0.42 -1.01 119.26 120.94 2juz h ALA 68 Ca 0.31 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2juz h ALA 68 Cb 0.03 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2juz h ALA 68 CO -0.05 0.45 0.26 0.28 0.00 0.00 0.00 179.25 180.19 2juz h VAL 69 N 0.98 1.23 0.25 0.00 2.07 -0.28 -0.23 116.25 120.27 2juz h VAL 69 Ca 0.25 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 2juz h VAL 69 Cb 0.07 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2juz h VAL 69 CO -0.04 0.28 -0.21 0.11 0.02 0.00 0.00 177.57 177.73 2juz h LYS 70 N 0.88 -0.46 0.00 1.57 1.79 -0.46 0.09 116.57 119.97 2juz h LYS 70 Ca 0.21 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 2juz h LYS 70 Cb 0.19 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 2juz h LYS 70 CO -0.02 -0.31 0.00 1.15 -1.08 0.00 0.00 179.45 179.19 2juz h THR 71 N -0.48 0.00 0.24 -0.16 2.02 -1.15 0.38 112.91 113.75 2juz h THR 71 Ca -0.01 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 2juz h THR 71 Cb 0.43 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 2juz h THR 71 CO -0.03 0.00 -0.11 -0.09 0.37 0.00 0.00 175.52 175.66 2juz h ARG 72 N 0.00 -0.31 -0.02 6.66 9.65 -0.51 -3.35 114.38 126.51 2juz h ARG 72 Ca 0.00 0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.90 2juz h ARG 72 Cb 0.58 0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 29.23 2juz h ARG 72 CO 0.00 0.03 0.00 1.25 2.80 0.00 0.00 179.97 184.05 2juz h LEU 73 N -0.94 0.02 -8.13 3.80 5.85 -0.87 -3.37 115.31 111.67 2juz h LEU 73 Ca -0.03 -0.24 -0.69 0.00 0.84 0.00 0.00 57.88 57.76 2juz h LEU 73 Cb 0.48 -0.01 -0.19 0.00 0.37 0.00 0.00 40.66 41.32 2juz h LEU 73 CO 0.05 0.26 0.33 -0.70 -0.34 0.00 0.00 178.44 178.04 2juz s GLU 74 N -5.24 3.18 -0.01 1.25 -6.30 0.13 -4.75 118.70 106.96 2juz s GLU 74 Ca -0.14 -1.35 0.01 0.00 -2.50 0.00 0.00 54.97 50.99 2juz s GLU 74 Cb 0.04 -4.37 0.01 0.00 0.00 0.00 0.00 34.13 29.82 2juz s GLU 74 CO 0.67 -1.63 0.81 -2.39 0.02 0.00 0.00 175.26 172.75 2juz n HIS 75 N 6.54 0.00 -2.21 5.30 1.44 -1.25 -4.29 115.22 120.74 2juz n HIS 75 Ca -0.02 -0.31 -0.28 0.00 -2.01 0.00 0.00 57.72 55.10 2juz n HIS 75 Cb 0.44 -0.04 0.02 0.00 0.12 0.00 0.00 29.99 30.53 2juz n HIS 75 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2juz n HIS 76 N -0.33 3.16 -0.02 -1.40 -0.00 -1.26 -4.92 115.22 110.45 2juz n HIS 76 Ca 0.01 -2.76 -0.05 0.00 -0.00 0.00 0.00 57.72 54.92 2juz n HIS 76 Cb 0.38 -0.36 -0.04 0.00 -0.00 0.00 0.00 29.99 29.98 2juz n HIS 76 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2juz h HIS 77 N 2.47 -0.59 -3.16 1.57 -0.00 -2.00 -3.37 115.15 110.07 2juz h HIS 77 Ca 0.37 0.02 -0.57 0.00 -0.00 0.00 0.00 60.37 60.20 2juz h HIS 77 Cb 1.01 0.27 -0.05 0.00 -0.00 0.00 0.00 27.41 28.64 2juz h HIS 77 CO 0.90 -0.19 0.69 -3.38 -0.00 0.00 0.00 177.93 175.95 2juz s HIS 78 N -3.95 3.39 -0.13 2.45 -3.43 -1.26 -4.45 115.29 107.91 2juz s HIS 78 Ca -0.05 1.49 -0.05 0.00 -0.80 0.00 0.00 55.06 55.65 2juz s HIS 78 Cb 0.03 -3.25 0.02 0.00 -1.43 0.00 0.00 32.58 27.94 2juz s HIS 78 CO 0.22 -0.47 0.10 1.58 -2.00 0.00 0.00 174.74 174.17 2juz n HIS 79 N 5.64 -2.56 1.14 0.38 -0.00 -1.26 -5.20 115.22 113.37 2juz n HIS 79 Ca 0.10 1.39 0.13 0.00 -0.00 0.00 0.00 57.72 59.34 2juz n HIS 79 Cb 0.47 -2.95 0.22 0.00 -0.00 0.00 0.00 29.99 27.74 2juz n HIS 79 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06