#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 -1.66 -0.74 3.04 0.00 -1.26 -5.10 121.76 116.03 2juz s ALA 2 Ca 0.00 1.03 -0.27 0.00 0.00 0.00 0.00 51.96 52.72 2juz s ALA 2 Cb 0.00 0.25 0.03 0.00 0.00 0.00 0.00 23.12 23.40 2juz s ALA 2 CO 0.00 -0.48 1.28 -1.14 0.00 0.00 0.00 175.76 175.42 2juz s GLN 3 N -1.93 3.20 -0.00 0.00 0.74 -1.26 -4.71 119.66 115.70 2juz s GLN 3 Ca -0.08 -0.27 0.04 0.00 0.05 0.00 0.00 55.36 55.10 2juz s GLN 3 Cb -0.00 -4.20 -0.05 0.00 1.10 0.00 0.00 33.01 29.85 2juz s GLN 3 CO 0.03 -2.14 0.09 1.58 -0.55 0.00 0.00 175.29 174.30 2juz n HIS 4 N 9.33 0.00 -3.91 1.67 -0.00 -1.26 -4.95 115.22 116.09 2juz n HIS 4 Ca 0.03 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.93 2juz n HIS 4 Cb 0.49 -0.07 -0.16 0.00 -0.12 0.00 0.00 29.99 30.13 2juz n HIS 4 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 2juz s SER 5 N -2.23 2.86 -0.02 0.26 0.01 -1.26 -4.97 113.70 108.35 2juz s SER 5 Ca -0.01 -0.66 0.22 0.00 1.31 0.00 0.00 55.95 56.81 2juz s SER 5 Cb 0.02 -0.97 0.67 0.00 0.21 0.00 0.00 66.02 65.95 2juz s SER 5 CO 0.15 -0.17 1.56 1.17 0.41 0.00 0.00 173.24 176.37 2juz n LYS 6 N 4.84 2.93 -2.99 12.44 3.00 -1.26 -4.98 118.16 132.15 2juz n LYS 6 Ca -0.13 -2.72 -0.02 0.00 -0.00 0.00 0.00 58.31 55.44 2juz n LYS 6 Cb 0.48 -1.64 0.00 0.00 0.00 0.00 0.00 35.03 33.87 2juz n LYS 6 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2juz n TYR 7 N 1.57 -3.06 -2.96 5.64 4.01 -1.26 -4.99 117.16 116.12 2juz n TYR 7 Ca 0.25 1.18 -0.40 0.00 -0.16 0.00 0.00 57.90 58.78 2juz n TYR 7 Cb 0.68 -4.07 -0.05 0.00 -0.31 0.00 0.00 39.34 35.58 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 -2.89 7.33 0.57 7.72 0.01 -1.26 -4.93 113.70 120.25 2juz s SER 8 Ca 0.06 1.58 0.29 0.00 1.31 0.00 0.00 55.95 59.19 2juz s SER 8 Cb -0.02 -2.49 1.73 0.00 0.21 0.00 0.00 66.02 65.45 2juz s SER 8 CO 0.74 0.11 2.20 -2.24 0.41 0.00 0.00 173.24 174.46 2juz h ASP 9 N 4.98 0.00 0.15 2.44 2.03 -1.98 0.25 116.42 124.29 2juz h ASP 9 Ca -0.45 0.00 -0.24 0.00 -0.73 0.00 0.00 57.03 55.61 2juz h ASP 9 Cb 1.21 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.72 2juz h ASP 9 CO 0.68 0.04 -0.94 0.00 -1.03 0.00 0.00 179.24 177.99 2juz h ALA 10 N 1.96 0.30 -0.44 4.15 0.00 -1.99 -0.96 119.26 122.28 2juz h ALA 10 Ca -0.00 -0.68 -0.09 0.00 0.00 0.00 0.00 54.91 54.14 2juz h ALA 10 Cb 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2juz h ALA 10 CO 0.00 0.75 -0.08 1.96 0.00 0.00 0.00 179.25 181.89 2juz h GLN 11 N 0.33 0.83 0.23 0.00 1.08 -1.45 -2.72 115.11 113.42 2juz h GLN 11 Ca -0.09 -0.30 0.00 0.00 -1.45 0.00 0.00 58.65 56.81 2juz h GLN 11 Cb 1.57 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.93 2juz h GLN 11 CO 0.17 0.93 -0.22 1.25 -0.95 0.00 0.00 178.83 180.02 2juz h LEU 12 N 0.66 -0.57 -0.58 1.46 5.85 -0.56 -2.55 115.31 119.02 2juz h LEU 12 Ca 0.12 0.05 0.12 0.00 0.84 0.00 0.00 57.88 59.00 2juz h LEU 12 Cb 0.61 0.20 -0.09 0.00 0.37 0.00 0.00 40.66 41.74 2juz h LEU 12 CO 0.04 -0.32 0.06 0.28 -0.34 0.00 0.00 178.44 178.16 2juz h SER 13 N -0.47 -0.13 -0.58 1.25 0.02 -1.07 0.11 113.55 112.68 2juz h SER 13 Ca -0.01 0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 2juz h SER 13 Cb 0.44 0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.15 2juz h SER 13 CO -0.04 -0.05 0.21 0.00 -1.14 0.00 0.00 176.83 175.82 2juz h ALA 14 N 1.50 1.22 -0.23 3.77 0.00 -1.39 0.73 119.26 124.85 2juz h ALA 14 Ca 0.31 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2juz h ALA 14 Cb 0.47 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2juz h ALA 14 CO -0.44 0.56 -0.09 0.82 0.00 0.00 0.00 179.25 180.10 2juz h ILE 15 N 0.90 1.30 -0.55 0.00 2.04 -0.50 -0.64 117.51 120.06 2juz h ILE 15 Ca 0.21 -1.13 -0.09 0.00 1.00 0.00 0.00 64.86 64.84 2juz h ILE 15 Cb 0.22 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 2juz h ILE 15 CO -0.01 0.35 -0.01 0.58 0.00 0.00 0.00 178.15 179.05 2juz h VAL 16 N 0.19 1.26 -0.80 1.67 2.07 -0.62 -0.15 116.25 119.88 2juz h VAL 16 Ca 0.05 -1.12 -0.03 0.00 0.82 0.00 0.00 66.70 66.43 2juz h VAL 16 Cb 0.57 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 2juz h VAL 16 CO 0.03 0.40 0.38 0.78 0.02 0.00 0.00 177.57 179.18 2juz h ASN 17 N 0.87 1.04 0.01 0.57 -0.26 -0.78 -1.46 115.58 115.57 2juz h ASN 17 Ca 0.16 -0.12 -0.00 0.00 -0.56 0.00 0.00 56.30 55.78 2juz h ASN 17 Cb 0.53 -0.27 0.00 0.00 -1.06 0.00 0.00 38.32 37.53 2juz h ASN 17 CO 0.03 0.87 -0.01 -0.78 -1.06 0.00 0.00 177.43 176.49 2juz h ASP 18 N 1.13 -0.02 -0.65 5.81 3.58 -0.53 -1.09 116.42 124.66 2juz h ASP 18 Ca 0.28 -0.14 0.12 0.00 0.42 0.00 0.00 57.03 57.71 2juz h ASP 18 Cb 0.11 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 41.08 2juz h ASP 18 CO -0.03 0.13 0.18 0.24 -2.88 0.00 0.00 179.24 176.88 2juz h MET 19 N -0.16 0.31 -0.46 0.28 2.86 -0.69 0.46 114.93 117.53 2juz h MET 19 Ca -0.00 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 2juz h MET 19 Cb 0.15 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 2juz h MET 19 CO 0.00 0.21 0.22 0.82 1.06 0.00 0.00 176.91 179.22 2juz h ILE 20 N 0.32 1.18 -0.51 -1.22 2.04 -1.07 -1.51 117.51 116.75 2juz h ILE 20 Ca 0.35 -0.52 -0.11 0.00 1.00 0.00 0.00 64.86 65.57 2juz h ILE 20 Cb 0.51 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 2juz h ILE 20 CO -0.40 0.20 -0.12 0.00 0.00 0.00 0.00 178.15 177.83 2juz h ALA 21 N 1.07 0.70 -0.24 1.87 0.00 0.19 0.14 119.26 122.98 2juz h ALA 21 Ca 0.16 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.74 2juz h ALA 21 Cb 0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2juz h ALA 21 CO -0.02 0.63 0.09 0.28 0.00 0.00 0.00 179.25 180.22 2juz h VAL 22 N 0.85 0.94 -0.43 0.00 2.07 0.02 0.10 116.25 119.81 2juz h VAL 22 Ca 0.13 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.54 2juz h VAL 22 Cb 0.69 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 2juz h VAL 22 CO 0.05 0.04 0.11 0.25 0.02 0.00 0.00 177.57 178.04 2juz h LEU 23 N 0.20 0.64 -0.20 2.57 5.85 -1.13 -2.63 115.31 120.62 2juz h LEU 23 Ca 0.10 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.65 2juz h LEU 23 Cb 0.07 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 2juz h LEU 23 CO -0.10 0.70 -0.11 -0.08 -0.34 0.00 0.00 178.44 178.50 2juz h GLU 24 N 0.55 -0.09 -0.00 1.25 4.81 -0.26 0.30 114.58 121.14 2juz h GLU 24 Ca 0.14 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2juz h GLU 24 Cb 0.30 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2juz h GLU 24 CO -0.00 -0.06 -0.11 1.63 -0.73 0.00 0.00 179.01 179.74 2juz n LYS 25 N -5.27 0.18 -0.03 1.92 5.02 -0.02 -2.13 118.16 117.84 2juz n LYS 25 Ca -0.02 -0.04 -0.07 0.00 -2.02 0.00 0.00 58.31 56.17 2juz n LYS 25 Cb 0.18 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.56 2juz n LYS 25 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2juz n HIS 26 N -1.38 0.71 -2.93 2.13 8.25 -1.00 -5.06 115.22 115.96 2juz n HIS 26 Ca 0.09 0.25 -0.08 0.00 -0.26 0.00 0.00 57.72 57.73 2juz n HIS 26 Cb 0.31 -1.10 0.01 0.00 1.12 0.00 0.00 29.99 30.33 2juz n HIS 26 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2juz n LYS 27 N -2.92 -2.49 -4.44 -0.41 4.81 0.10 -5.02 118.16 107.80 2juz n LYS 27 Ca -0.19 2.12 -0.34 0.00 -0.87 0.00 0.00 58.31 59.03 2juz n LYS 27 Cb 1.03 -4.46 -0.12 0.00 0.02 0.00 0.00 35.03 31.49 2juz n LYS 27 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2juz s ALA 28 N -1.86 2.97 0.85 3.14 0.00 -1.25 -5.08 121.76 120.53 2juz s ALA 28 Ca 0.13 -0.82 -0.10 0.00 0.00 0.00 0.00 51.96 51.17 2juz s ALA 28 Cb -0.03 -1.52 0.11 0.00 0.00 0.00 0.00 23.12 21.68 2juz s ALA 28 CO 0.68 0.23 1.11 -1.25 0.00 0.00 0.00 175.76 176.54 2juz s PRO 29 N 0.32 1.58 0.52 0.00 0.04 -1.26 -4.60 135.00 131.60 2juz s PRO 29 Ca -0.04 1.31 0.29 0.00 0.04 0.00 0.00 61.00 62.60 2juz s PRO 29 Cb -0.14 -1.81 1.43 0.00 0.04 0.00 0.00 34.50 34.02 2juz s PRO 29 CO 0.03 -2.16 1.89 0.28 0.04 0.00 0.00 177.00 177.08 2juz h VAL 30 N -1.52 0.58 0.33 -0.36 2.07 -1.99 -0.46 116.25 114.90 2juz h VAL 30 Ca -0.44 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 2juz h VAL 30 Cb 1.25 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2juz h VAL 30 CO 0.47 0.01 -0.16 0.44 0.02 0.00 0.00 177.57 178.35 2juz h ASP 31 N 0.05 -0.37 0.37 0.57 3.32 -2.00 -2.90 116.42 115.45 2juz h ASP 31 Ca 0.42 -0.18 -0.13 0.00 0.02 0.00 0.00 57.03 57.16 2juz h ASP 31 Cb 1.60 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 41.23 2juz h ASP 31 CO -0.03 0.04 -0.54 -0.07 -1.72 0.00 0.00 179.24 176.92 2juz h LEU 32 N -0.86 0.20 -0.64 1.55 3.38 -1.60 -2.56 115.31 114.78 2juz h LEU 32 Ca -0.04 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 2juz h LEU 32 Cb 0.52 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 2juz h LEU 32 CO 0.07 0.71 0.21 0.77 0.09 0.00 0.00 178.44 180.29 2juz h SER 33 N 0.14 0.93 -0.53 -0.43 4.64 -1.21 0.59 113.55 117.68 2juz h SER 33 Ca 0.00 -0.20 -0.10 0.00 -0.47 0.00 0.00 61.79 61.02 2juz h SER 33 Cb 1.01 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.83 2juz h SER 33 CO 0.08 0.88 -0.05 -0.07 -0.87 0.00 0.00 176.83 176.81 2juz h LEU 34 N 0.92 0.98 -0.41 5.97 3.38 -1.29 -1.03 115.31 123.83 2juz h LEU 34 Ca 0.21 -0.29 -0.17 0.00 0.09 0.00 0.00 57.88 57.72 2juz h LEU 34 Cb 0.28 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2juz h LEU 34 CO -0.01 1.06 -0.45 0.40 0.09 0.00 0.00 178.44 179.52 2juz h ILE 35 N 0.90 1.28 -0.03 1.22 2.04 -1.16 0.26 117.51 122.02 2juz h ILE 35 Ca 0.15 -1.64 -0.00 0.00 1.00 0.00 0.00 64.86 64.37 2juz h ILE 35 Cb 0.59 1.51 -0.00 0.00 -0.74 0.00 0.00 36.82 38.18 2juz h ILE 35 CO 0.04 0.54 0.02 0.00 0.00 0.00 0.00 178.15 178.74 2juz h ALA 36 N 0.81 0.03 -0.76 1.87 0.00 -0.74 0.10 119.26 120.57 2juz h ALA 36 Ca 0.04 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2juz h ALA 36 Cb 1.04 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2juz h ALA 36 CO 0.10 -0.44 0.49 -0.07 0.00 0.00 0.00 179.25 179.33 2juz h LEU 37 N -0.02 0.83 0.16 0.00 -0.00 -1.12 -0.29 115.31 114.88 2juz h LEU 37 Ca 0.01 -0.01 0.02 0.00 -0.00 0.00 0.00 57.88 57.89 2juz h LEU 37 Cb 0.05 -0.19 -0.03 0.00 -0.00 0.00 0.00 40.66 40.48 2juz h LEU 37 CO -0.00 0.59 -0.31 1.23 -0.00 0.00 0.00 178.44 179.94 2juz h GLY 38 N 0.98 -0.62 1.00 0.83 0.00 -0.03 0.41 103.07 105.65 2juz h GLY 38 Ca 0.29 0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.97 2juz h GLY 38 CO -0.09 -0.25 0.38 -0.57 0.00 0.00 0.00 176.54 176.02 2juz h ASN 39 N -0.56 0.87 -0.33 0.19 -1.24 -0.62 -2.13 115.58 111.76 2juz h ASN 39 Ca 0.02 -0.09 -0.05 0.00 0.71 0.00 0.00 56.30 56.88 2juz h ASN 39 Cb 0.57 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.38 2juz h ASN 39 CO -0.15 0.71 -0.00 -0.03 -1.29 0.00 0.00 177.43 176.67 2juz h MET 40 N 0.96 0.58 -0.97 6.67 4.05 -0.79 -1.62 114.93 123.81 2juz h MET 40 Ca 0.25 -0.19 0.02 0.00 -0.28 0.00 0.00 59.70 59.50 2juz h MET 40 Cb 0.04 -0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 30.73 2juz h MET 40 CO -0.04 0.71 0.63 0.00 0.23 0.00 0.00 176.91 178.45 2juz h ALA 41 N 0.85 1.25 -0.20 0.39 0.00 -0.05 0.75 119.26 122.24 2juz h ALA 41 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2juz h ALA 41 Cb 0.45 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2juz h ALA 41 CO 0.02 0.56 0.13 0.77 0.00 0.00 0.00 179.25 180.73 2juz h SER 42 N 1.26 0.23 -0.75 0.00 0.02 -1.16 -0.36 113.55 112.79 2juz h SER 42 Ca 0.37 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.35 2juz h SER 42 Cb -0.07 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.36 2juz h SER 42 CO -0.10 0.18 0.46 -1.13 -1.14 0.00 0.00 176.83 175.10 2juz h ASN 43 N 0.27 0.74 0.00 3.07 -1.24 -0.39 -1.82 115.58 116.22 2juz h ASN 43 Ca 0.07 0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.09 2juz h ASN 43 Cb -0.02 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 38.88 2juz h ASN 43 CO -0.02 0.50 -0.00 -0.07 -1.29 0.00 0.00 177.43 176.56 2juz h LEU 44 N 0.88 -0.00 -2.52 0.34 3.38 -0.58 -2.70 115.31 114.11 2juz h LEU 44 Ca 0.31 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2juz h LEU 44 Cb 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2juz h LEU 44 CO -0.13 0.26 -0.02 -0.07 0.09 0.00 0.00 178.44 178.57 2juz h LEU 45 N -0.27 0.00 -3.06 1.67 3.38 -0.80 0.24 115.31 116.48 2juz h LEU 45 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2juz h LEU 45 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2juz h LEU 45 CO 0.00 0.02 0.00 0.35 0.09 0.00 0.00 178.44 178.90 2juz n THR 46 N -3.37 1.66 0.00 0.22 -2.24 -0.71 -4.46 114.28 105.39 2juz n THR 46 Ca -0.02 -1.18 0.00 0.00 -2.27 0.00 0.00 64.05 60.58 2juz n THR 46 Cb 0.13 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 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 1.16 0.00 -0.06 4.28 -1.04 0.06 -4.99 114.28 113.69 2juz n THR 47 Ca 0.25 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 62.07 2juz n THR 47 Cb 0.82 -0.67 -0.13 0.00 -1.82 0.00 0.00 70.33 68.53 2juz n THR 47 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2juz n SER 48 N -2.59 2.00 -4.83 8.00 3.41 0.64 -4.94 113.62 115.30 2juz n SER 48 Ca 0.00 0.05 -0.32 0.00 -0.26 0.00 0.00 58.87 58.33 2juz n SER 48 Cb 0.09 -0.61 -0.05 0.00 -0.26 0.00 0.00 64.21 63.38 2juz n SER 48 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2juz s VAL 49 N -2.54 4.49 0.01 -3.33 -7.23 -1.25 -4.97 120.40 105.59 2juz s VAL 49 Ca -0.28 1.29 -0.37 0.00 -1.81 0.00 0.00 61.98 60.81 2juz s VAL 49 Cb 0.08 -3.66 -0.16 0.00 0.56 0.00 0.00 36.38 33.19 2juz s VAL 49 CO 0.69 -0.50 1.45 -0.81 -0.31 0.00 0.00 175.10 175.62 2juz n PRO 50 N -1.10 1.24 0.18 4.82 -0.04 -1.26 -4.79 135.00 134.04 2juz n PRO 50 Ca 0.06 0.45 0.04 0.00 -0.04 0.00 0.00 63.50 64.01 2juz n PRO 50 Cb 0.54 -2.11 0.44 0.00 -0.04 0.00 0.00 33.50 32.32 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 5.29 0.08 0.00 0.54 1.08 -1.93 0.14 115.11 120.31 2juz h GLN 51 Ca -0.47 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 56.70 2juz h GLN 51 Cb 1.33 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.74 2juz h GLN 51 CO 0.83 0.28 -0.02 1.15 -0.95 0.00 0.00 178.83 180.12 2juz h THR 52 N 0.08 0.04 -0.27 -0.54 2.02 -2.01 -3.08 112.91 109.15 2juz h THR 52 Ca 0.01 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.37 2juz h THR 52 Cb 0.40 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 2juz h THR 52 CO 0.03 0.02 0.00 0.00 0.37 0.00 0.00 175.52 175.94 2juz n GLN 53 N -3.11 2.83 0.08 6.66 1.13 -0.03 -4.73 117.38 120.22 2juz n GLN 53 Ca 0.02 -2.24 -0.12 0.00 -1.94 0.00 0.00 57.00 52.72 2juz n GLN 53 Cb 0.44 -1.42 -0.05 0.00 0.11 0.00 0.00 30.24 29.32 2juz n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2juz h GLU 55 N -0.38 0.00 -0.26 0.00 5.08 -1.84 -1.79 114.58 115.38 2juz h GLU 55 Ca 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2juz h GLU 55 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2juz h GLU 55 CO -0.17 0.63 0.13 0.00 -1.00 0.00 0.00 179.01 178.60 2juz h ALA 56 N 1.28 0.34 0.00 3.43 0.00 -1.77 0.82 119.26 123.36 2juz h ALA 56 Ca -0.05 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 2juz h ALA 56 Cb 1.59 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 2juz h ALA 56 CO 0.08 -0.11 -0.66 -0.07 0.00 0.00 0.00 179.25 178.50 2juz h LEU 57 N 0.30 0.00 -0.03 0.00 4.07 -0.59 -0.76 115.31 118.31 2juz h LEU 57 Ca 0.09 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.05 2juz h LEU 57 Cb 0.11 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.84 2juz h LEU 57 CO -0.01 0.66 0.02 0.00 -1.08 0.00 0.00 178.44 178.02 2juz h ALA 58 N 1.34 0.04 -0.02 1.53 0.00 -0.96 0.81 119.26 122.00 2juz h ALA 58 Ca -0.01 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2juz h ALA 58 Cb 1.19 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2juz h ALA 58 CO 0.09 -0.41 -0.48 1.96 0.00 0.00 0.00 179.25 180.41 2juz h GLN 59 N -0.06 0.06 -0.02 0.00 4.20 -0.80 -1.45 115.11 117.04 2juz h GLN 59 Ca 0.01 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 2juz h GLN 59 Cb 0.10 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 2juz h GLN 59 CO -0.00 0.53 0.01 0.00 -0.67 0.00 0.00 178.83 178.70 2juz h ALA 60 N 1.47 0.03 -0.91 3.87 0.00 -0.83 0.58 119.26 123.46 2juz h ALA 60 Ca -0.00 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2juz h ALA 60 Cb 0.87 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 2juz h ALA 60 CO 0.07 -0.40 0.60 0.35 0.00 0.00 0.00 179.25 179.87 2juz h PHE 61 N -0.10 1.14 0.94 0.00 3.57 -0.70 -1.17 116.94 120.62 2juz h PHE 61 Ca 0.01 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 2juz h PHE 61 Cb 0.14 -0.39 0.01 0.00 2.79 0.00 0.00 35.95 38.50 2juz h PHE 61 CO -0.03 0.71 -0.47 0.77 -2.23 0.00 0.00 178.31 177.06 2juz h SER 62 N 1.22 -1.13 -0.27 0.41 0.02 -0.97 -2.53 113.55 110.30 2juz h SER 62 Ca 0.34 0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 61.28 2juz h SER 62 Cb -0.11 0.30 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 2juz h SER 62 CO -0.08 -0.78 -0.01 0.78 -1.14 0.00 0.00 176.83 175.59 2juz h ASN 63 N -1.29 0.57 -0.27 3.07 2.35 -0.81 -2.00 115.58 117.21 2juz h ASN 63 Ca -0.13 -0.12 -0.09 0.00 -0.55 0.00 0.00 56.30 55.41 2juz h ASN 63 Cb 0.99 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 39.20 2juz h ASN 63 CO 0.20 0.65 -0.15 0.77 -1.65 0.00 0.00 177.43 177.25 2juz h SER 64 N 0.57 0.69 -0.24 5.81 4.64 -1.23 -1.08 113.55 122.71 2juz h SER 64 Ca 0.12 -0.21 -0.13 0.00 -0.47 0.00 0.00 61.79 61.10 2juz h SER 64 Cb 0.38 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 2juz h SER 64 CO 0.01 0.85 -0.30 -0.07 -0.87 0.00 0.00 176.83 176.46 2juz h LEU 65 N 0.63 0.77 -0.36 5.97 -0.00 -0.98 0.24 115.31 121.58 2juz h LEU 65 Ca 0.10 -0.31 0.02 0.00 -0.00 0.00 0.00 57.88 57.69 2juz h LEU 65 Cb 0.60 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 41.03 2juz h LEU 65 CO 0.04 1.02 0.21 0.40 -0.00 0.00 0.00 178.44 180.10 2juz h ILE 66 N 0.64 1.03 -0.40 1.22 1.08 -0.91 0.02 117.51 120.18 2juz h ILE 66 Ca 0.07 -0.14 -0.01 0.00 -0.39 0.00 0.00 64.86 64.39 2juz h ILE 66 Cb 0.82 0.57 -0.02 0.00 -3.07 0.00 0.00 36.82 35.12 2juz h ILE 66 CO 0.07 0.08 0.21 -1.13 -0.69 0.00 0.00 178.15 176.69 2juz h ASN 67 N 0.42 0.52 -0.12 1.72 -1.24 -0.99 -0.96 115.58 114.93 2juz h ASN 67 Ca 0.14 -0.11 0.00 0.00 0.71 0.00 0.00 56.30 57.05 2juz h ASN 67 Cb 0.01 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 38.92 2juz h ASN 67 CO -0.07 0.47 0.07 0.00 -1.29 0.00 0.00 177.43 176.61 2juz h ALA 68 N 1.06 0.14 -0.53 1.57 0.00 -0.57 -0.01 119.26 120.93 2juz h ALA 68 Ca 0.14 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2juz h ALA 68 Cb 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2juz h ALA 68 CO -0.02 -0.37 0.18 0.28 0.00 0.00 0.00 179.25 179.31 2juz h VAL 69 N 0.15 1.23 -0.53 0.00 2.07 -0.91 -1.66 116.25 116.59 2juz h VAL 69 Ca 0.04 -0.76 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 2juz h VAL 69 Cb -0.01 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 2juz h VAL 69 CO -0.02 0.28 0.15 0.50 0.02 0.00 0.00 177.57 178.50 2juz h LYS 70 N 0.72 0.80 -0.08 1.57 3.64 -0.93 0.16 116.57 122.45 2juz h LYS 70 Ca 0.17 -0.15 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 2juz h LYS 70 Cb 0.26 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2juz h LYS 70 CO -0.01 0.71 -0.50 1.15 -2.27 0.00 0.00 179.45 178.53 2juz h THR 71 N 0.78 1.35 0.00 1.00 2.02 -0.72 -1.25 112.91 116.09 2juz h THR 71 Ca 0.18 -1.74 -0.08 0.00 0.77 0.00 0.00 66.41 65.54 2juz h THR 71 Cb 0.25 1.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 2juz h THR 71 CO -0.01 0.51 -0.41 0.03 0.37 0.00 0.00 175.52 176.02 2juz h ARG 72 N 0.17 0.00 -0.36 6.66 3.08 -0.55 -3.08 114.38 120.30 2juz h ARG 72 Ca 0.01 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 2juz h ARG 72 Cb 0.95 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 2juz h ARG 72 CO 0.08 0.35 -0.38 1.25 -1.07 0.00 0.00 179.97 180.20 2juz h LEU 73 N 0.00 0.95 0.00 3.04 5.85 -0.43 -3.45 115.31 121.27 2juz h LEU 73 Ca -0.01 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2juz h LEU 73 Cb 1.28 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.04 2juz h LEU 73 CO 0.05 1.23 0.00 -0.62 -0.34 0.00 0.00 178.44 178.76 2juz n GLU 74 N -4.10 1.15 -3.21 1.25 -0.58 -0.50 -4.85 120.64 109.81 2juz n GLU 74 Ca -0.03 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.57 2juz n GLU 74 Cb 0.54 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 31.42 2juz n GLU 74 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2juz n HIS 75 N -0.88 -2.92 -3.27 -0.32 -0.00 -1.25 -4.88 115.22 101.69 2juz n HIS 75 Ca 0.00 1.17 -0.39 0.00 0.46 0.00 0.00 57.72 58.96 2juz n HIS 75 Cb 0.00 -3.45 -0.07 0.00 -0.12 0.00 0.00 29.99 26.35 2juz n HIS 75 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2juz s HIS 76 N -2.61 3.39 -1.04 1.57 3.76 -1.26 -4.96 115.29 114.14 2juz s HIS 76 Ca 0.15 0.77 -0.23 0.00 -0.15 0.00 0.00 55.06 55.60 2juz s HIS 76 Cb -0.03 -2.64 0.01 0.00 1.11 0.00 0.00 32.58 31.04 2juz s HIS 76 CO 0.81 -0.05 1.69 -1.01 -0.85 0.00 0.00 174.74 175.32 2juz s HIS 77 N 1.46 2.29 -0.27 1.40 3.76 -1.26 -4.55 115.29 118.12 2juz s HIS 77 Ca 0.24 -0.38 0.22 0.00 -0.15 0.00 0.00 55.06 54.99 2juz s HIS 77 Cb -0.15 -4.44 0.50 0.00 1.11 0.00 0.00 32.58 29.60 2juz s HIS 77 CO 0.09 -1.79 1.11 1.58 -0.85 0.00 0.00 174.74 174.88 2juz n HIS 78 N 10.89 1.15 -3.88 1.40 -0.00 -1.26 -5.11 115.22 118.41 2juz n HIS 78 Ca 0.38 -2.18 -0.24 0.00 -0.00 0.00 0.00 57.72 55.68 2juz n HIS 78 Cb 0.49 -0.19 -0.02 0.00 -0.00 0.00 0.00 29.99 30.26 2juz n HIS 78 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2juz s HIS 79 N -3.64 3.47 -2.54 1.57 3.76 -1.26 -5.31 115.29 111.35 2juz s HIS 79 Ca 0.27 0.10 0.28 0.00 -0.15 0.00 0.00 55.06 55.56 2juz s HIS 79 Cb 0.34 -1.67 0.98 0.00 1.11 0.00 0.00 32.58 33.34 2juz s HIS 79 CO -0.04 0.44 1.71 1.58 -0.85 0.00 0.00 174.74 177.58