#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2juz s ALA 2 N 0.00 3.39 0.17 3.17 0.00 -1.26 -5.06 121.76 122.17 2juz s ALA 2 Ca 0.00 -2.67 0.07 0.00 0.00 0.00 0.00 51.96 49.35 2juz s ALA 2 Cb 0.00 -2.74 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 2juz s ALA 2 CO 0.00 -1.93 -0.14 -0.65 0.00 0.00 0.00 175.76 173.04 2juz s GLN 3 N 1.06 1.19 0.00 0.00 -0.21 -1.26 -4.78 119.66 115.66 2juz s GLN 3 Ca 0.08 -1.44 0.00 0.00 0.02 0.00 0.00 55.36 54.03 2juz s GLN 3 Cb -0.24 -1.01 0.00 0.00 1.00 0.00 0.00 33.01 32.76 2juz s GLN 3 CO -0.02 0.18 0.00 1.58 -2.12 0.00 0.00 175.29 174.90 2juz n HIS 4 N 0.02 0.00 -1.56 0.91 -0.00 -1.26 -4.91 115.22 108.41 2juz n HIS 4 Ca -0.11 0.00 -0.46 0.00 0.46 0.00 0.00 57.72 57.61 2juz n HIS 4 Cb 0.59 -0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.41 2juz n HIS 4 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2juz n SER 5 N 0.63 2.94 0.00 0.26 2.88 -1.26 -0.89 113.62 118.18 2juz n SER 5 Ca 0.00 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 2juz n SER 5 Cb 0.00 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.00 2juz n SER 5 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2juz n LYS 6 N 8.51 0.00 -1.39 -1.46 5.02 -1.26 -4.87 118.16 122.71 2juz n LYS 6 Ca 0.33 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.26 2juz n LYS 6 Cb 0.38 -1.83 -0.04 0.00 -0.02 0.00 0.00 35.03 33.51 2juz n LYS 6 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2juz n TYR 7 N -1.89 2.14 -3.92 2.13 4.01 -0.06 -4.55 117.16 115.01 2juz n TYR 7 Ca 0.00 -2.83 -0.36 0.00 -0.16 0.00 0.00 57.90 54.55 2juz n TYR 7 Cb 0.00 -2.25 -0.08 0.00 -0.31 0.00 0.00 39.34 36.70 2juz n TYR 7 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2juz s SER 8 N 1.81 6.02 0.52 7.72 0.01 -1.26 -4.75 113.70 123.77 2juz s SER 8 Ca 0.67 0.27 0.23 0.00 1.31 0.00 0.00 55.95 58.42 2juz s SER 8 Cb 0.20 -1.99 1.34 0.00 0.21 0.00 0.00 66.02 65.79 2juz s SER 8 CO -0.06 0.28 2.01 0.44 0.41 0.00 0.00 173.24 176.32 2juz h ASP 9 N 5.94 0.04 0.66 2.44 5.19 -1.98 0.36 116.42 129.07 2juz h ASP 9 Ca -0.46 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 55.71 2juz h ASP 9 Cb 1.19 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.68 2juz h ASP 9 CO 0.66 0.02 -1.09 0.00 -3.12 0.00 0.00 179.24 175.71 2juz h ALA 10 N 1.77 0.26 -0.08 3.45 0.00 -1.96 -2.12 119.26 120.58 2juz h ALA 10 Ca 0.22 -0.84 -0.04 0.00 0.00 0.00 0.00 54.91 54.25 2juz h ALA 10 Cb 0.83 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2juz h ALA 10 CO -0.01 1.00 -0.10 0.37 0.00 0.00 0.00 179.25 180.50 2juz h GLN 11 N 0.08 0.21 -0.04 0.00 -0.00 -1.12 -2.54 115.11 111.70 2juz h GLN 11 Ca -0.09 -0.12 0.02 0.00 -0.00 0.00 0.00 58.65 58.46 2juz h GLN 11 Cb 1.80 0.01 -0.02 0.00 0.00 0.00 0.00 27.48 29.26 2juz h GLN 11 CO 0.17 0.67 -0.07 1.25 0.00 0.00 0.00 178.83 180.85 2juz h LEU 12 N -0.24 -0.21 -0.90 -2.39 5.85 -0.50 -2.56 115.31 114.36 2juz h LEU 12 Ca 0.01 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.87 2juz h LEU 12 Cb 0.65 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.70 2juz h LEU 12 CO 0.02 -0.10 0.54 0.28 -0.34 0.00 0.00 178.44 178.85 2juz h SER 13 N -0.10 0.80 -0.78 1.25 0.02 -1.40 -0.35 113.55 113.00 2juz h SER 13 Ca 0.04 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 2juz h SER 13 Cb 0.16 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 2juz h SER 13 CO -0.11 0.46 0.51 0.00 -1.14 0.00 0.00 176.83 176.55 2juz h ALA 14 N 1.48 1.00 -0.22 3.77 0.00 -1.10 0.15 119.26 124.33 2juz h ALA 14 Ca 0.43 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 2juz h ALA 14 Cb 0.37 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2juz h ALA 14 CO -0.24 0.38 -0.03 0.82 0.00 0.00 0.00 179.25 180.18 2juz h ILE 15 N 1.04 1.27 -0.51 0.00 1.08 -0.77 -1.01 117.51 118.61 2juz h ILE 15 Ca 0.29 -0.99 -0.04 0.00 -0.39 0.00 0.00 64.86 63.73 2juz h ILE 15 Cb -0.10 1.47 -0.02 0.00 -3.07 0.00 0.00 36.82 35.11 2juz h ILE 15 CO -0.07 0.30 0.17 0.58 -0.69 0.00 0.00 178.15 178.44 2juz h VAL 16 N 0.16 1.23 0.00 1.67 2.07 -0.83 -1.34 116.25 119.22 2juz h VAL 16 Ca 0.06 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 2juz h VAL 16 Cb 0.47 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2juz h VAL 16 CO 0.02 0.28 -0.11 0.78 0.02 0.00 0.00 177.57 178.56 2juz h ASN 17 N 0.70 0.00 -0.03 0.57 4.21 -0.68 -2.13 115.58 118.21 2juz h ASN 17 Ca 0.17 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.53 2juz h ASN 17 Cb 0.27 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.48 2juz h ASN 17 CO -0.01 0.11 -0.56 -0.78 -1.29 0.00 0.00 177.43 174.91 2juz h ASP 18 N 0.00 0.55 -0.81 5.81 3.58 -0.38 -1.81 116.42 123.36 2juz h ASP 18 Ca -0.00 -0.72 0.05 0.00 0.42 0.00 0.00 57.03 56.78 2juz h ASP 18 Cb 0.48 -0.17 -0.05 0.00 1.72 0.00 0.00 39.33 41.31 2juz h ASP 18 CO 0.01 1.19 0.53 0.24 -2.88 0.00 0.00 179.24 178.34 2juz h MET 19 N -0.04 0.92 -0.54 0.28 2.86 -0.84 0.46 114.93 118.03 2juz h MET 19 Ca -0.06 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.42 2juz h MET 19 Cb 1.25 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.68 2juz h MET 19 CO 0.11 0.61 -0.07 0.82 1.06 0.00 0.00 176.91 179.44 2juz h ILE 20 N 0.95 1.27 -0.45 -1.22 2.04 -1.36 -0.94 117.51 117.80 2juz h ILE 20 Ca 0.33 -1.22 -0.07 0.00 1.00 0.00 0.00 64.86 64.90 2juz h ILE 20 Cb 0.12 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 2juz h ILE 20 CO -0.11 0.43 -0.01 0.00 0.00 0.00 0.00 178.15 178.46 2juz h ALA 21 N 0.93 1.14 -0.22 1.87 0.00 -0.23 -1.06 119.26 121.69 2juz h ALA 21 Ca 0.14 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.81 2juz h ALA 21 Cb 0.63 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2juz h ALA 21 CO 0.04 0.55 0.10 0.28 0.00 0.00 0.00 179.25 180.23 2juz h VAL 22 N 0.70 0.98 -0.48 0.00 2.07 0.14 0.40 116.25 120.06 2juz h VAL 22 Ca 0.14 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.64 2juz h VAL 22 Cb 0.45 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 2juz h VAL 22 CO 0.02 0.04 0.18 0.25 0.02 0.00 0.00 177.57 178.08 2juz h LEU 23 N 0.22 0.19 -0.35 2.57 6.46 -0.72 -0.93 115.31 122.75 2juz h LEU 23 Ca 0.09 0.05 -0.19 0.00 -0.12 0.00 0.00 57.88 57.71 2juz h LEU 23 Cb 0.03 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.00 2juz h LEU 23 CO -0.07 0.14 -0.66 -0.08 -0.62 0.00 0.00 178.44 177.15 2juz h GLU 24 N 0.36 0.65 -0.13 1.25 4.81 -0.89 0.17 114.58 120.79 2juz h GLU 24 Ca 0.23 -0.47 -0.01 0.00 -0.13 0.00 0.00 59.36 58.98 2juz h GLU 24 Cb 0.22 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 2juz h GLU 24 CO -0.22 1.09 0.05 -0.22 -0.73 0.00 0.00 179.01 178.98 2juz h LYS 25 N 0.47 0.19 -0.38 1.92 3.64 0.14 -2.71 116.57 119.84 2juz h LYS 25 Ca -0.02 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2juz h LYS 25 Cb 1.25 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2juz h LYS 25 CO 0.13 0.28 0.00 1.58 -2.27 0.00 0.00 179.45 179.17 2juz n HIS 26 N -4.90 0.49 -3.39 1.91 -0.00 -0.38 -4.93 115.22 104.03 2juz n HIS 26 Ca -0.05 -0.24 -0.19 0.00 0.46 0.00 0.00 57.72 57.70 2juz n HIS 26 Cb 0.11 -0.02 0.06 0.00 -0.12 0.00 0.00 29.99 30.03 2juz n HIS 26 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2juz n LYS 27 N 0.50 -2.39 -3.39 1.57 4.76 -0.92 -4.97 118.16 113.33 2juz n LYS 27 Ca 0.12 0.76 -0.42 0.00 -2.87 0.00 0.00 58.31 55.90 2juz n LYS 27 Cb 0.32 -5.39 -0.09 0.00 -1.84 0.00 0.00 35.03 28.02 2juz n LYS 27 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2juz s ALA 28 N -3.42 3.47 0.79 7.82 0.00 0.55 -5.03 121.76 125.94 2juz s ALA 28 Ca 0.41 -1.38 -0.11 0.00 0.00 0.00 0.00 51.96 50.89 2juz s ALA 28 Cb -0.08 -2.89 0.07 0.00 0.00 0.00 0.00 23.12 20.21 2juz s ALA 28 CO 0.77 -1.28 1.09 -1.25 0.00 0.00 0.00 175.76 175.10 2juz s PRO 29 N 2.00 2.12 0.51 0.00 0.04 -1.26 -4.70 135.00 133.71 2juz s PRO 29 Ca 0.11 0.78 0.21 0.00 0.04 0.00 0.00 61.00 62.14 2juz s PRO 29 Cb -0.17 -1.91 1.29 0.00 0.04 0.00 0.00 34.50 33.75 2juz s PRO 29 CO 0.12 -1.63 2.02 -0.39 0.04 0.00 0.00 177.00 177.16 2juz h VAL 30 N -1.10 0.81 0.51 -0.36 -1.51 -1.98 0.20 116.25 112.83 2juz h VAL 30 Ca -0.46 -0.03 -0.02 0.00 -1.23 0.00 0.00 66.70 64.95 2juz h VAL 30 Cb 1.26 0.71 0.00 0.00 -2.13 0.00 0.00 31.29 31.13 2juz h VAL 30 CO 0.57 0.02 -0.24 0.44 -1.23 0.00 0.00 177.57 177.13 2juz h ASP 31 N 0.09 -0.58 0.40 4.19 5.19 -2.00 -2.38 116.42 121.34 2juz h ASP 31 Ca 0.22 0.02 -0.15 0.00 -0.62 0.00 0.00 57.03 56.50 2juz h ASP 31 Cb 0.74 0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.39 2juz h ASP 31 CO -0.02 -0.41 -0.62 -0.07 -3.12 0.00 0.00 179.24 175.00 2juz h LEU 32 N -0.68 0.24 -0.84 1.55 3.38 -1.80 -2.65 115.31 114.52 2juz h LEU 32 Ca -0.07 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.66 2juz h LEU 32 Cb 0.52 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2juz h LEU 32 CO 0.11 0.80 -0.16 0.77 0.09 0.00 0.00 178.44 180.05 2juz h SER 33 N 0.15 0.69 -0.50 -0.43 4.64 -0.70 0.23 113.55 117.63 2juz h SER 33 Ca -0.01 -0.22 -0.07 0.00 -0.47 0.00 0.00 61.79 61.02 2juz h SER 33 Cb 1.13 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 63.01 2juz h SER 33 CO 0.09 0.86 0.03 0.25 -0.87 0.00 0.00 176.83 177.20 2juz h LEU 34 N 0.62 0.83 -0.74 5.97 5.85 -1.25 0.27 115.31 126.87 2juz h LEU 34 Ca 0.10 -0.29 -0.09 0.00 0.84 0.00 0.00 57.88 58.44 2juz h LEU 34 Cb 0.63 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2juz h LEU 34 CO 0.04 0.92 -0.06 0.40 -0.34 0.00 0.00 178.44 179.40 2juz h ILE 35 N 0.73 1.26 -0.16 4.05 2.04 -1.12 0.44 117.51 124.75 2juz h ILE 35 Ca 0.15 -1.16 -0.00 0.00 1.00 0.00 0.00 64.86 64.85 2juz h ILE 35 Cb 0.47 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 2juz h ILE 35 CO 0.02 0.41 0.10 0.00 0.00 0.00 0.00 178.15 178.67 2juz h ALA 36 N 1.10 0.20 -0.84 1.87 0.00 -0.26 0.34 119.26 121.68 2juz h ALA 36 Ca 0.14 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2juz h ALA 36 Cb 0.57 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2juz h ALA 36 CO 0.03 -0.29 0.42 -0.07 0.00 0.00 0.00 179.25 179.34 2juz h LEU 37 N 0.18 1.08 -0.35 0.00 3.38 -0.77 -0.18 115.31 118.66 2juz h LEU 37 Ca 0.06 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2juz h LEU 37 Cb 0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2juz h LEU 37 CO -0.01 0.89 0.07 1.23 0.09 0.00 0.00 178.44 180.72 2juz h GLY 38 N 1.20 0.61 0.97 0.83 0.00 -0.49 0.39 103.07 106.58 2juz h GLY 38 Ca 0.29 -0.39 0.01 0.00 0.00 0.00 0.00 47.33 47.24 2juz h GLY 38 CO -0.04 0.36 0.24 -0.57 0.00 0.00 0.00 176.54 176.54 2juz h ASN 39 N 0.41 0.41 0.15 0.19 -0.73 -0.05 -2.19 115.58 113.77 2juz h ASN 39 Ca 0.11 -0.01 -0.15 0.00 1.87 0.00 0.00 56.30 58.12 2juz h ASN 39 Cb 0.33 -0.10 -0.01 0.00 0.27 0.00 0.00 38.32 38.81 2juz h ASN 39 CO 0.00 0.30 -0.53 -0.03 -0.37 0.00 0.00 177.43 176.80 2juz h MET 40 N 0.49 0.42 0.57 6.67 4.05 -0.91 -2.00 114.93 124.23 2juz h MET 40 Ca 0.14 -0.26 -0.02 0.00 -0.28 0.00 0.00 59.70 59.28 2juz h MET 40 Cb -0.04 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.78 2juz h MET 40 CO -0.04 0.85 -0.37 0.00 0.23 0.00 0.00 176.91 177.58 2juz h ALA 41 N 1.10 -0.91 -0.65 0.39 0.00 0.04 0.11 119.26 119.34 2juz h ALA 41 Ca 0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2juz h ALA 41 Cb 1.04 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 2juz h ALA 41 CO 0.09 -1.03 0.28 0.66 0.00 0.00 0.00 179.25 179.25 2juz h SER 42 N -0.89 0.85 0.07 0.00 4.64 -1.42 0.19 113.55 116.99 2juz h SER 42 Ca -0.07 -0.10 0.02 0.00 -0.47 0.00 0.00 61.79 61.16 2juz h SER 42 Cb 0.73 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 2juz h SER 42 CO 0.06 0.75 -0.16 -1.13 -0.87 0.00 0.00 176.83 175.48 2juz h ASN 43 N 0.93 -0.44 -0.36 4.97 -1.24 -1.10 -1.61 115.58 116.73 2juz h ASN 43 Ca 0.22 0.05 -0.12 0.00 0.71 0.00 0.00 56.30 57.17 2juz h ASN 43 Cb 0.14 0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.35 2juz h ASN 43 CO -0.02 -0.22 -0.20 -0.07 -1.29 0.00 0.00 177.43 175.62 2juz h LEU 44 N -0.29 0.86 -1.98 0.34 3.38 -0.38 -2.56 115.31 114.67 2juz h LEU 44 Ca 0.03 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 2juz h LEU 44 Cb 0.32 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2juz h LEU 44 CO -0.10 1.04 -0.09 -0.07 0.09 0.00 0.00 178.44 179.31 2juz h LEU 45 N 0.74 0.00 -2.85 1.67 3.38 -0.79 0.16 115.31 117.63 2juz h LEU 45 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2juz h LEU 45 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2juz h LEU 45 CO 0.06 0.09 0.00 0.35 0.09 0.00 0.00 178.44 179.03 2juz n THR 46 N -3.52 1.18 0.01 0.22 -2.24 -0.62 -4.42 114.28 104.88 2juz n THR 46 Ca -0.02 -1.05 0.00 0.00 -2.27 0.00 0.00 64.05 60.71 2juz n THR 46 Cb 0.23 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 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 1.41 0.10 -0.08 4.28 -1.04 -0.53 -4.99 114.28 113.43 2juz n THR 47 Ca 0.23 0.03 -0.06 0.00 -2.04 0.00 0.00 64.05 62.22 2juz n THR 47 Cb 0.66 -1.15 -0.02 0.00 -1.82 0.00 0.00 70.33 68.00 2juz n THR 47 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2juz n SER 48 N -2.91 1.84 -4.77 8.00 2.88 0.46 -4.96 113.62 114.16 2juz n SER 48 Ca 0.00 0.56 -0.34 0.00 -1.33 0.00 0.00 58.87 57.76 2juz n SER 48 Cb 0.28 -0.84 0.03 0.00 -0.75 0.00 0.00 64.21 62.94 2juz n SER 48 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2juz s VAL 49 N -2.41 3.20 -0.16 2.46 -7.23 -1.25 -4.90 120.40 110.11 2juz s VAL 49 Ca -0.18 0.62 -0.36 0.00 -1.81 0.00 0.00 61.98 60.25 2juz s VAL 49 Cb 0.03 -3.16 -0.13 0.00 0.56 0.00 0.00 36.38 33.67 2juz s VAL 49 CO 0.27 -0.28 1.87 -0.81 -0.31 0.00 0.00 175.10 175.84 2juz n PRO 50 N -2.02 1.82 0.25 4.82 -0.04 -1.26 -4.83 135.00 133.74 2juz n PRO 50 Ca 0.11 0.66 0.11 0.00 -0.04 0.00 0.00 63.50 64.34 2juz n PRO 50 Cb 0.52 -2.49 0.66 0.00 -0.04 0.00 0.00 33.50 32.15 2juz n PRO 50 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2juz h GLN 51 N 8.93 0.00 0.00 0.54 4.20 -1.90 0.78 115.11 127.65 2juz h GLN 51 Ca -0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.24 2juz h GLN 51 Cb 1.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.07 2juz h GLN 51 CO 0.96 0.15 0.00 2.41 -0.67 0.00 0.00 178.83 181.68 2juz n THR 52 N -3.75 0.35 -0.35 -0.54 -1.04 -1.26 -3.07 114.28 104.63 2juz n THR 52 Ca -0.02 -0.02 0.01 0.00 -2.04 0.00 0.00 64.05 61.98 2juz n THR 52 Cb 0.26 -0.64 0.01 0.00 -1.82 0.00 0.00 70.33 68.14 2juz n THR 52 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2juz n GLN 53 N -1.74 2.13 0.44 -2.82 7.27 -0.05 -4.85 117.38 117.76 2juz n GLN 53 Ca 0.06 -1.34 -0.17 0.00 0.07 0.00 0.00 57.00 55.62 2juz n GLN 53 Cb 0.33 -0.91 -0.08 0.00 2.41 0.00 0.00 30.24 31.99 2juz n GLN 53 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2juz h GLU 55 N -1.19 0.00 0.10 0.00 -0.00 -1.88 0.86 114.58 112.47 2juz h GLU 55 Ca -0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.24 2juz h GLU 55 Cb 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.61 2juz h GLU 55 CO 0.19 0.00 -0.05 0.00 -0.00 0.00 0.00 179.01 179.15 2juz h ALA 56 N 2.01 -0.14 -0.28 1.06 0.00 -1.84 -2.48 119.26 117.59 2juz h ALA 56 Ca 0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 2juz h ALA 56 Cb 0.40 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2juz h ALA 56 CO 0.00 -0.29 -0.10 -0.07 0.00 0.00 0.00 179.25 178.79 2juz h LEU 57 N -0.71 0.44 -0.37 0.00 3.38 -0.42 0.15 115.31 117.78 2juz h LEU 57 Ca -0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2juz h LEU 57 Cb 0.54 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2juz h LEU 57 CO 0.02 0.58 0.21 0.00 0.09 0.00 0.00 178.44 179.34 2juz h ALA 58 N 1.47 0.48 -0.25 1.53 0.00 -0.90 0.11 119.26 121.69 2juz h ALA 58 Ca 0.08 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2juz h ALA 58 Cb 0.43 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2juz h ALA 58 CO 0.02 -0.01 -0.32 1.96 0.00 0.00 0.00 179.25 180.90 2juz h GLN 59 N 0.48 0.53 0.13 0.00 1.08 -1.02 -0.18 115.11 116.12 2juz h GLN 59 Ca 0.13 -0.23 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 2juz h GLN 59 Cb 0.04 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2juz h GLN 59 CO -0.02 0.79 -0.06 0.00 -0.95 0.00 0.00 178.83 178.59 2juz h ALA 60 N 1.20 -0.17 -0.82 3.87 0.00 -0.57 0.91 119.26 123.68 2juz h ALA 60 Ca 0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2juz h ALA 60 Cb 0.78 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 2juz h ALA 60 CO 0.06 -0.59 0.45 0.35 0.00 0.00 0.00 179.25 179.52 2juz h PHE 61 N -0.18 1.13 0.46 0.00 3.57 -0.68 -0.65 116.94 120.58 2juz h PHE 61 Ca -0.02 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 2juz h PHE 61 Cb 0.14 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.49 2juz h PHE 61 CO -0.07 0.79 -0.49 1.03 -2.23 0.00 0.00 178.31 177.34 2juz h SER 62 N 1.14 -1.34 -0.23 0.41 0.87 -0.72 -0.80 113.55 112.88 2juz h SER 62 Ca 0.29 0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.95 2juz h SER 62 Cb 0.04 0.45 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 2juz h SER 62 CO -0.05 -0.64 0.13 0.78 -0.53 0.00 0.00 176.83 176.52 2juz h ASN 63 N -0.96 0.31 -0.57 6.23 -0.26 -0.65 -0.37 115.58 119.31 2juz h ASN 63 Ca -0.05 -0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 55.65 2juz h ASN 63 Cb 0.84 -0.08 -0.03 0.00 -1.06 0.00 0.00 38.32 38.00 2juz h ASN 63 CO -0.08 0.26 0.29 0.28 -1.06 0.00 0.00 177.43 177.12 2juz h SER 64 N 0.35 0.73 -0.47 5.81 0.02 -0.74 -0.78 113.55 118.47 2juz h SER 64 Ca 0.09 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 2juz h SER 64 Cb 0.03 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 2juz h SER 64 CO -0.01 0.64 0.17 -0.07 -1.14 0.00 0.00 176.83 176.42 2juz h LEU 65 N 0.77 0.67 -0.54 5.07 3.38 0.36 0.30 115.31 125.32 2juz h LEU 65 Ca 0.20 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 58.02 2juz h LEU 65 Cb 0.09 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2juz h LEU 65 CO -0.03 0.68 0.29 0.40 0.09 0.00 0.00 178.44 179.88 2juz h ILE 66 N 0.63 0.99 -0.25 1.22 1.08 -0.82 0.10 117.51 120.46 2juz h ILE 66 Ca 0.16 -0.20 -0.13 0.00 -0.39 0.00 0.00 64.86 64.30 2juz h ILE 66 Cb 0.23 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 34.34 2juz h ILE 66 CO -0.01 0.10 -0.38 -1.13 -0.69 0.00 0.00 178.15 176.04 2juz h ASN 67 N 0.57 0.60 0.02 1.72 -1.24 -0.95 0.86 115.58 117.16 2juz h ASN 67 Ca 0.23 -0.26 -0.00 0.00 0.71 0.00 0.00 56.30 56.98 2juz h ASN 67 Cb 0.10 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 38.98 2juz h ASN 67 CO -0.14 0.92 -0.01 0.00 -1.29 0.00 0.00 177.43 176.92 2juz h ALA 68 N 1.11 -0.02 -0.24 1.57 0.00 -0.18 -1.42 119.26 120.08 2juz h ALA 68 Ca 0.04 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2juz h ALA 68 Cb 0.88 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2juz h ALA 68 CO 0.08 -0.43 -0.10 0.28 0.00 0.00 0.00 179.25 179.08 2juz h VAL 69 N -0.20 1.20 -0.76 0.00 2.07 -0.78 -0.34 116.25 117.45 2juz h VAL 69 Ca -0.00 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.67 2juz h VAL 69 Cb 0.19 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 2juz h VAL 69 CO 0.00 0.28 0.49 0.50 0.02 0.00 0.00 177.57 178.86 2juz h LYS 70 N 0.36 1.00 0.07 1.57 1.63 -0.41 0.18 116.57 120.97 2juz h LYS 70 Ca 0.07 -0.07 -0.28 0.00 -0.85 0.00 0.00 60.65 59.53 2juz h LYS 70 Cb 0.40 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 31.79 2juz h LYS 70 CO 0.02 0.68 -1.38 1.15 -3.45 0.00 0.00 179.45 176.46 2juz h THR 71 N 1.03 1.30 0.11 1.00 2.02 -0.82 0.27 112.91 117.82 2juz h THR 71 Ca 0.28 -2.98 0.01 0.00 0.77 0.00 0.00 66.41 64.49 2juz h THR 71 Cb -0.09 2.76 -0.02 0.00 -1.74 0.00 0.00 68.15 69.06 2juz h THR 71 CO -0.06 0.82 -0.14 -0.09 0.37 0.00 0.00 175.52 176.43 2juz h ARG 72 N 0.04 -0.28 0.14 6.66 9.65 -0.46 -3.27 114.38 126.86 2juz h ARG 72 Ca -0.18 0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.72 2juz h ARG 72 Cb 1.95 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 30.59 2juz h ARG 72 CO 0.15 -0.19 -0.07 1.25 2.80 0.00 0.00 179.97 183.92 2juz h LEU 73 N -0.29 -0.16 0.00 3.80 5.85 -0.78 -3.47 115.31 120.26 2juz h LEU 73 Ca 0.01 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2juz h LEU 73 Cb 0.29 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2juz h LEU 73 CO -0.06 0.41 0.00 1.21 -0.34 0.00 0.00 178.44 179.66 2juz n GLU 74 N -4.88 0.00 0.00 1.25 2.13 0.95 -2.87 120.64 117.23 2juz n GLU 74 Ca -0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.77 2juz n GLU 74 Cb 0.19 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.90 2juz n GLU 74 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2juz n HIS 75 N 0.00 0.00 -2.09 4.31 -0.00 -1.26 -5.00 115.22 111.18 2juz n HIS 75 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.69 2juz n HIS 75 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2juz n HIS 75 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2juz n HIS 76 N 0.00 -1.42 -1.63 1.57 -0.00 -1.14 -4.89 115.22 107.71 2juz n HIS 76 Ca 0.00 0.57 -0.44 0.00 0.46 0.00 0.00 57.72 58.30 2juz n HIS 76 Cb 0.00 -2.60 -0.04 0.00 -0.12 0.00 0.00 29.99 27.24 2juz n HIS 76 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2juz n HIS 77 N -0.63 2.25 -2.12 1.57 1.44 -1.26 -4.82 115.22 111.65 2juz n HIS 77 Ca 0.04 -0.18 0.05 0.00 -2.01 0.00 0.00 57.72 55.62 2juz n HIS 77 Cb 0.27 -2.73 0.08 0.00 0.12 0.00 0.00 29.99 27.73 2juz n HIS 77 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2juz n HIS 78 N 8.72 0.00 -0.84 -1.40 1.44 -1.26 -4.71 115.22 117.18 2juz n HIS 78 Ca 0.25 -0.80 0.02 0.00 -2.01 0.00 0.00 57.72 55.18 2juz n HIS 78 Cb 0.38 -0.17 0.02 0.00 0.12 0.00 0.00 29.99 30.34 2juz n HIS 78 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2juz n HIS 79 N -0.13 0.00 -0.92 -1.40 1.44 -1.26 -5.32 115.22 107.62 2juz n HIS 79 Ca 0.10 -0.34 0.00 0.00 -2.01 0.00 0.00 57.72 55.47 2juz n HIS 79 Cb 0.95 -0.05 0.00 0.00 0.12 0.00 0.00 29.99 31.01 2juz n HIS 79 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11