#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 -1.00 -0.10 3.04 0.00 -1.26 -5.15 121.76 117.29 2juz s ALA 2 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 51.96 51.78 2juz s ALA 2 Cb 0.00 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 2juz s ALA 2 CO 0.00 -0.66 0.46 1.14 0.00 0.00 0.00 175.76 176.71 2juz s GLN 3 N -3.80 4.30 -0.37 0.00 -2.07 -1.26 -5.04 119.66 111.42 2juz s GLN 3 Ca 0.03 0.44 0.06 0.00 -1.82 0.00 0.00 55.36 54.06 2juz s GLN 3 Cb 0.02 -3.41 0.17 0.00 -1.09 0.00 0.00 33.01 28.70 2juz s GLN 3 CO -0.12 0.22 0.52 -3.38 -1.32 0.00 0.00 175.29 171.22 2juz s HIS 4 N 0.41 -1.23 -0.06 9.60 -3.43 -1.26 -5.14 115.29 114.18 2juz s HIS 4 Ca 0.25 0.03 -0.09 0.00 -0.80 0.00 0.00 55.06 54.45 2juz s HIS 4 Cb -0.15 0.04 0.02 0.00 -1.43 0.00 0.00 32.58 31.06 2juz s HIS 4 CO 0.10 -1.08 0.23 -1.12 -2.00 0.00 0.00 174.74 170.88 2juz s SER 5 N 1.92 -0.19 0.00 7.38 0.01 -1.26 -4.91 113.70 116.65 2juz s SER 5 Ca 0.15 0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.69 2juz s SER 5 Cb -0.09 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.55 2juz s SER 5 CO -0.11 -0.20 0.00 0.29 0.41 0.00 0.00 173.24 173.63 2juz n LYS 6 N 2.38 0.00 0.00 12.44 5.02 -1.26 -5.04 118.16 131.69 2juz n LYS 6 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 2juz n LYS 6 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.58 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 -0.88 0.00 -3.29 2.13 4.01 -1.26 -4.97 117.16 112.90 2juz n TYR 7 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.66 2juz n TYR 7 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 38.98 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 -1.00 0.01 0.12 7.72 0.01 -1.26 -5.00 113.70 114.29 2juz s SER 8 Ca 0.00 -0.90 0.22 0.00 1.31 0.00 0.00 55.95 56.58 2juz s SER 8 Cb 0.00 1.21 0.87 0.00 0.21 0.00 0.00 66.02 68.30 2juz s SER 8 CO 0.00 -0.27 1.67 -0.90 0.41 0.00 0.00 173.24 174.15 2juz n ASP 9 N 4.69 0.34 0.13 2.44 5.75 -1.26 -1.06 116.55 127.59 2juz n ASP 9 Ca 0.08 0.57 -0.22 0.00 -0.01 0.00 0.00 54.79 55.21 2juz n ASP 9 Cb 0.50 -0.65 -0.15 0.00 -1.03 0.00 0.00 41.12 39.79 2juz n ASP 9 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2juz h ALA 10 N 2.50 -0.06 -0.61 2.12 0.00 -1.97 -2.62 119.26 118.62 2juz h ALA 10 Ca 0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 54.91 53.99 2juz h ALA 10 Cb 0.40 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2juz h ALA 10 CO 0.00 0.80 0.24 0.37 0.00 0.00 0.00 179.25 180.67 2juz h GLN 11 N 0.12 0.89 -0.05 0.00 5.75 -1.71 -2.30 115.11 117.81 2juz h GLN 11 Ca -0.22 -0.14 0.03 0.00 -0.15 0.00 0.00 58.65 58.17 2juz h GLN 11 Cb 2.11 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 30.46 2juz h GLN 11 CO 0.25 0.73 -0.19 1.25 -2.65 0.00 0.00 178.83 178.22 2juz h LEU 12 N 0.88 -0.56 -1.22 -2.39 5.85 -1.07 -2.06 115.31 114.73 2juz h LEU 12 Ca 0.21 0.09 0.11 0.00 0.84 0.00 0.00 57.88 59.13 2juz h LEU 12 Cb 0.17 0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 2juz h LEU 12 CO -0.02 -0.25 0.57 0.28 -0.34 0.00 0.00 178.44 178.69 2juz h SER 13 N -0.28 0.75 -0.05 1.25 0.02 -1.06 -0.18 113.55 114.00 2juz h SER 13 Ca 0.07 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 2juz h SER 13 Cb 0.38 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2juz h SER 13 CO -0.21 0.42 -0.18 0.00 -1.14 0.00 0.00 176.83 175.72 2juz h ALA 14 N 1.57 1.26 -0.10 3.77 0.00 -0.88 0.83 119.26 125.72 2juz h ALA 14 Ca 0.43 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2juz h ALA 14 Cb 0.52 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2juz h ALA 14 CO -0.19 0.49 -0.28 0.82 0.00 0.00 0.00 179.25 180.09 2juz h ILE 15 N 0.38 1.40 -0.31 0.00 2.04 -0.40 -2.54 117.51 118.08 2juz h ILE 15 Ca 0.07 -1.62 -0.12 0.00 1.00 0.00 0.00 64.86 64.19 2juz h ILE 15 Cb 0.53 2.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.79 2juz h ILE 15 CO 0.03 0.47 -0.28 0.58 0.00 0.00 0.00 178.15 178.95 2juz h VAL 16 N -0.09 1.28 -0.63 1.67 2.07 -1.22 -2.02 116.25 117.30 2juz h VAL 16 Ca -0.01 -1.39 -0.00 0.00 0.82 0.00 0.00 66.70 66.12 2juz h VAL 16 Cb 0.90 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 2juz h VAL 16 CO 0.06 0.45 0.39 -1.13 0.02 0.00 0.00 177.57 177.36 2juz h ASN 17 N 0.55 0.75 -0.22 0.57 -0.73 -0.82 -0.15 115.58 115.53 2juz h ASN 17 Ca 0.07 -0.05 -0.04 0.00 1.87 0.00 0.00 56.30 58.15 2juz h ASN 17 Cb 0.77 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 39.16 2juz h ASN 17 CO 0.06 0.59 0.00 -0.78 -0.37 0.00 0.00 177.43 176.93 2juz h ASP 18 N 0.86 0.39 -0.73 1.15 1.82 -1.31 -2.16 116.42 116.43 2juz h ASP 18 Ca 0.23 -0.31 0.14 0.00 -0.39 0.00 0.00 57.03 56.70 2juz h ASP 18 Cb -0.03 -0.10 -0.10 0.00 0.68 0.00 0.00 39.33 39.78 2juz h ASP 18 CO -0.04 0.60 0.27 -0.03 -1.61 0.00 0.00 179.24 178.42 2juz h MET 19 N 0.17 0.39 -0.65 0.28 4.05 -0.91 0.43 114.93 118.69 2juz h MET 19 Ca 0.06 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.42 2juz h MET 19 Cb 0.40 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.08 2juz h MET 19 CO 0.01 0.26 0.26 0.82 0.23 0.00 0.00 176.91 178.49 2juz h ILE 20 N 0.40 1.24 -0.53 1.77 2.04 -0.83 0.84 117.51 122.44 2juz h ILE 20 Ca 0.40 -0.74 -0.09 0.00 1.00 0.00 0.00 64.86 65.44 2juz h ILE 20 Cb 0.62 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 2juz h ILE 20 CO -0.42 0.29 -0.00 0.00 0.00 0.00 0.00 178.15 178.02 2juz h ALA 21 N 1.11 0.71 -0.38 1.87 0.00 -0.36 -0.03 119.26 122.17 2juz h ALA 21 Ca 0.21 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2juz h ALA 21 Cb 0.21 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2juz h ALA 21 CO -0.02 0.54 0.23 0.28 0.00 0.00 0.00 179.25 180.28 2juz h VAL 22 N 0.81 1.13 -0.28 0.00 2.07 0.04 -0.77 116.25 119.24 2juz h VAL 22 Ca 0.15 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2juz h VAL 22 Cb 0.53 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2juz h VAL 22 CO 0.03 0.13 0.18 0.25 0.02 0.00 0.00 177.57 178.17 2juz h LEU 23 N 0.50 0.33 -1.63 2.57 5.85 -0.61 -2.25 115.31 120.06 2juz h LEU 23 Ca 0.14 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 2juz h LEU 23 Cb 0.00 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 2juz h LEU 23 CO -0.03 0.25 -0.20 -0.08 -0.34 0.00 0.00 178.44 178.05 2juz h GLU 24 N 0.37 0.00 -0.27 1.25 4.81 -0.80 -2.22 114.58 117.72 2juz h GLU 24 Ca 0.10 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.21 2juz h GLU 24 Cb -0.02 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 2juz h GLU 24 CO -0.02 0.20 -0.31 -0.22 -0.73 0.00 0.00 179.01 177.93 2juz h LYS 25 N 0.00 0.68 -0.01 1.92 3.64 -0.56 -3.24 116.57 118.99 2juz h LYS 25 Ca -0.00 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 2juz h LYS 25 Cb 0.47 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2juz h LYS 25 CO 0.03 0.99 -0.16 0.72 -2.27 0.00 0.00 179.45 178.75 2juz n HIS 26 N -4.27 0.00 -2.70 1.91 8.25 -1.01 -5.01 115.22 112.40 2juz n HIS 26 Ca -0.04 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.41 2juz n HIS 26 Cb 0.48 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.55 2juz n HIS 26 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2juz n LYS 27 N -0.00 -3.39 -3.89 -0.41 4.01 -0.86 -5.04 118.16 108.58 2juz n LYS 27 Ca 0.14 2.73 -0.29 0.00 -0.51 0.00 0.00 58.31 60.38 2juz n LYS 27 Cb 0.40 -5.33 -0.16 0.00 -0.51 0.00 0.00 35.03 29.43 2juz n LYS 27 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2juz s ALA 28 N -1.66 1.68 1.14 7.82 0.00 -1.25 -5.06 121.76 124.43 2juz s ALA 28 Ca 0.01 -1.11 -0.12 0.00 0.00 0.00 0.00 51.96 50.74 2juz s ALA 28 Cb -0.00 -1.31 0.27 0.00 0.00 0.00 0.00 23.12 22.07 2juz s ALA 28 CO 0.77 -1.09 1.04 -1.25 0.00 0.00 0.00 175.76 175.24 2juz s PRO 29 N 1.53 -0.72 0.56 0.00 0.04 -1.26 -4.34 135.00 130.81 2juz s PRO 29 Ca -0.03 0.94 0.28 0.00 0.04 0.00 0.00 61.00 62.22 2juz s PRO 29 Cb -0.18 -1.57 1.49 0.00 0.04 0.00 0.00 34.50 34.28 2juz s PRO 29 CO -0.07 -3.62 1.98 -0.24 0.04 0.00 0.00 177.00 175.09 2juz h VAL 30 N -2.55 0.54 0.21 -0.36 3.04 -2.00 0.21 116.25 115.33 2juz h VAL 30 Ca -0.59 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.09 2juz h VAL 30 Cb 1.33 0.71 0.00 0.00 -2.01 0.00 0.00 31.29 31.32 2juz h VAL 30 CO 0.49 0.00 -0.10 -0.78 -1.01 0.00 0.00 177.57 176.17 2juz h ASP 31 N 0.00 -0.24 -0.97 3.17 3.58 -2.00 -2.99 116.42 116.98 2juz h ASP 31 Ca 0.21 0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.69 2juz h ASP 31 Cb 0.98 0.06 -0.05 0.00 1.72 0.00 0.00 39.33 42.04 2juz h ASP 31 CO -0.00 0.14 0.64 -0.07 -2.88 0.00 0.00 179.24 177.07 2juz h LEU 32 N -0.91 1.09 -0.71 2.28 3.38 -1.74 -1.88 115.31 116.83 2juz h LEU 32 Ca -0.03 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 2juz h LEU 32 Cb 0.22 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2juz h LEU 32 CO 0.05 0.78 0.17 0.77 0.09 0.00 0.00 178.44 180.30 2juz h SER 33 N 1.28 1.07 -0.31 -0.43 4.64 -0.75 -0.16 113.55 118.89 2juz h SER 33 Ca 0.36 -0.23 -0.06 0.00 -0.47 0.00 0.00 61.79 61.39 2juz h SER 33 Cb -0.10 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.69 2juz h SER 33 CO -0.09 1.03 -0.01 0.25 -0.87 0.00 0.00 176.83 177.14 2juz h LEU 34 N 1.07 0.63 -0.57 5.97 6.46 -1.29 -1.05 115.31 126.52 2juz h LEU 34 Ca 0.22 -0.14 -0.09 0.00 -0.12 0.00 0.00 57.88 57.75 2juz h LEU 34 Cb 0.37 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.12 2juz h LEU 34 CO 0.00 0.71 -0.01 0.40 -0.62 0.00 0.00 178.44 178.92 2juz h ILE 35 N 0.62 1.27 0.05 4.05 2.04 -0.60 0.28 117.51 125.23 2juz h ILE 35 Ca 0.13 -1.14 -0.00 0.00 1.00 0.00 0.00 64.86 64.84 2juz h ILE 35 Cb 0.41 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 2juz h ILE 35 CO 0.02 0.41 -0.02 0.00 0.00 0.00 0.00 178.15 178.55 2juz h ALA 36 N 0.97 -0.07 -0.74 1.87 0.00 -0.58 0.69 119.26 121.40 2juz h ALA 36 Ca 0.16 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2juz h ALA 36 Cb 0.56 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2juz h ALA 36 CO 0.03 -0.54 0.49 -0.07 0.00 0.00 0.00 179.25 179.16 2juz h LEU 37 N -0.07 0.84 -0.01 0.00 4.07 -1.06 -0.79 115.31 118.30 2juz h LEU 37 Ca -0.01 -0.02 0.02 0.00 0.08 0.00 0.00 57.88 57.95 2juz h LEU 37 Cb 0.05 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.56 2juz h LEU 37 CO 0.01 0.60 -0.11 1.23 -1.08 0.00 0.00 178.44 179.09 2juz h GLY 38 N 0.99 -0.13 0.83 0.83 0.00 -0.10 0.39 103.07 105.88 2juz h GLY 38 Ca 0.28 0.13 0.03 0.00 0.00 0.00 0.00 47.33 47.77 2juz h GLY 38 CO -0.07 -0.12 0.29 3.43 0.00 0.00 0.00 176.54 180.08 2juz h ASN 39 N -0.19 0.45 -0.17 0.19 2.35 -0.62 -0.65 115.58 116.95 2juz h ASN 39 Ca 0.04 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 2juz h ASN 39 Cb 0.24 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 2juz h ASN 39 CO -0.11 0.31 0.07 -0.03 -1.65 0.00 0.00 177.43 176.02 2juz h MET 40 N 0.57 0.24 -0.26 0.81 4.05 -0.81 -1.79 114.93 117.74 2juz h MET 40 Ca 0.21 -0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.61 2juz h MET 40 Cb 0.06 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.80 2juz h MET 40 CO -0.11 0.30 0.14 0.00 0.23 0.00 0.00 176.91 177.46 2juz h ALA 41 N 0.93 0.32 0.23 0.39 0.00 -0.00 0.12 119.26 121.25 2juz h ALA 41 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2juz h ALA 41 Cb 0.14 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2juz h ALA 41 CO -0.01 -0.25 -0.15 1.03 0.00 0.00 0.00 179.25 179.87 2juz h SER 42 N 0.29 -0.38 -0.78 0.00 0.87 -1.03 0.77 113.55 113.29 2juz h SER 42 Ca 0.10 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2juz h SER 42 Cb 0.01 0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.05 2juz h SER 42 CO -0.06 -0.24 0.49 -1.13 -0.53 0.00 0.00 176.83 175.36 2juz h ASN 43 N -0.38 0.93 0.14 6.23 -1.24 -1.19 -2.35 115.58 117.71 2juz h ASN 43 Ca -0.02 -0.04 -0.01 0.00 0.71 0.00 0.00 56.30 56.94 2juz h ASN 43 Cb 0.32 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.14 2juz h ASN 43 CO 0.02 0.70 -0.07 0.25 -1.29 0.00 0.00 177.43 177.04 2juz h LEU 44 N 1.08 -0.16 -1.76 0.34 5.85 -0.31 -3.06 115.31 117.29 2juz h LEU 44 Ca 0.29 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 2juz h LEU 44 Cb -0.08 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 2juz h LEU 44 CO -0.06 0.26 -0.16 -0.07 -0.34 0.00 0.00 178.44 178.07 2juz h LEU 45 N -0.61 0.00 -2.04 2.25 3.38 -0.78 0.24 115.31 117.76 2juz h LEU 45 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2juz h LEU 45 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2juz h LEU 45 CO 0.03 0.16 0.00 0.35 0.09 0.00 0.00 178.44 179.07 2juz n THR 46 N -3.92 1.06 0.02 0.22 -2.24 -0.89 -4.32 114.28 104.21 2juz n THR 46 Ca -0.02 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 2juz n THR 46 Cb 0.25 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 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 0.64 0.03 -0.01 4.28 -1.04 -0.50 -5.02 114.28 112.66 2juz n THR 47 Ca 0.16 0.01 -0.00 0.00 -2.04 0.00 0.00 64.05 62.18 2juz n THR 47 Cb 0.57 -0.70 -0.00 0.00 -1.82 0.00 0.00 70.33 68.38 2juz n THR 47 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 2juz h SER 48 N 0.00 0.00 -3.70 8.00 4.64 -0.77 -3.47 113.55 118.25 2juz h SER 48 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 2juz h SER 48 Cb 0.17 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 62.39 2juz h SER 48 CO 0.00 0.08 0.53 1.33 -0.87 0.00 0.00 176.83 177.89 2juz n VAL 49 N -2.42 2.86 -1.58 0.95 0.24 -1.26 -4.81 118.33 112.31 2juz n VAL 49 Ca -0.00 -0.50 -0.54 0.00 -2.04 0.00 0.00 64.34 61.25 2juz n VAL 49 Cb 0.00 -1.61 -0.07 0.00 -1.47 0.00 0.00 33.84 30.69 2juz n VAL 49 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2juz n PRO 50 N -0.22 1.13 -0.11 7.34 -0.04 -1.26 -4.83 135.00 137.01 2juz n PRO 50 Ca 0.07 0.38 0.10 0.00 -0.04 0.00 0.00 63.50 64.01 2juz n PRO 50 Cb 0.41 -2.24 0.45 0.00 -0.04 0.00 0.00 33.50 32.09 2juz n PRO 50 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2juz h GLN 51 N 9.46 0.50 -0.42 0.54 3.07 -1.91 -0.10 115.11 126.25 2juz h GLN 51 Ca -0.37 -0.03 0.02 0.00 0.09 0.00 0.00 58.65 58.36 2juz h GLN 51 Cb 1.32 -0.11 -0.02 0.00 0.08 0.00 0.00 27.48 28.75 2juz h GLN 51 CO 0.99 0.33 0.28 1.15 0.09 0.00 0.00 178.83 181.67 2juz h THR 52 N 0.51 1.08 0.00 1.86 2.02 -2.01 -2.53 112.91 113.84 2juz h THR 52 Ca 0.29 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 67.28 2juz h THR 52 Cb 0.45 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 2juz h THR 52 CO -0.09 0.10 -0.15 0.00 0.37 0.00 0.00 175.52 175.75 2juz n GLN 53 N -4.48 1.13 -0.01 6.66 10.64 -0.71 -4.81 117.38 125.80 2juz n GLN 53 Ca 0.04 -2.46 -0.11 0.00 -1.83 0.00 0.00 57.00 52.64 2juz n GLN 53 Cb 0.10 -1.36 -0.05 0.00 -0.86 0.00 0.00 30.24 28.07 2juz n GLN 53 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2juz h GLU 55 N 0.12 0.18 -0.20 0.00 4.11 -1.87 0.12 114.58 117.05 2juz h GLU 55 Ca 0.04 -0.03 -0.17 0.00 0.07 0.00 0.00 59.36 59.28 2juz h GLU 55 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2juz h GLU 55 CO -0.03 0.24 -0.55 0.00 0.07 0.00 0.00 179.01 178.75 2juz h ALA 56 N 1.79 0.33 -0.35 1.06 0.00 -1.76 -2.26 119.26 118.07 2juz h ALA 56 Ca 0.04 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 2juz h ALA 56 Cb 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2juz h ALA 56 CO 0.01 0.54 -0.25 -0.07 0.00 0.00 0.00 179.25 179.48 2juz h LEU 57 N 0.42 0.71 -0.50 0.00 3.38 -0.40 -0.71 115.31 118.21 2juz h LEU 57 Ca -0.01 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 2juz h LEU 57 Cb 1.16 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 2juz h LEU 57 CO 0.12 0.93 0.25 0.00 0.09 0.00 0.00 178.44 179.83 2juz h ALA 58 N 1.12 0.65 -0.33 1.53 0.00 -0.76 0.18 119.26 121.64 2juz h ALA 58 Ca 0.08 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2juz h ALA 58 Cb 0.74 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2juz h ALA 58 CO 0.06 0.20 -0.13 1.96 0.00 0.00 0.00 179.25 181.34 2juz h GLN 59 N 0.67 0.58 -0.52 0.00 1.08 -1.19 -0.48 115.11 115.25 2juz h GLN 59 Ca 0.17 -0.18 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 2juz h GLN 59 Cb 0.10 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 2juz h GLN 59 CO -0.02 0.70 0.14 0.00 -0.95 0.00 0.00 178.83 178.69 2juz h ALA 60 N 1.33 0.68 -0.15 3.87 0.00 -0.65 -0.99 119.26 123.34 2juz h ALA 60 Ca 0.10 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 2juz h ALA 60 Cb 0.53 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2juz h ALA 60 CO 0.03 0.36 -0.06 0.35 0.00 0.00 0.00 179.25 179.93 2juz h PHE 61 N 0.71 0.35 0.26 0.00 3.57 -0.68 -2.31 116.94 118.83 2juz h PHE 61 Ca 0.16 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 2juz h PHE 61 Cb 0.31 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.97 2juz h PHE 61 CO 0.02 0.61 -0.12 0.66 -2.23 0.00 0.00 178.31 177.25 2juz h SER 62 N -0.02 -0.30 -0.72 0.41 4.64 -1.05 -2.10 113.55 114.42 2juz h SER 62 Ca 0.04 -0.05 0.02 0.00 -0.47 0.00 0.00 61.79 61.32 2juz h SER 62 Cb 0.51 0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 62.64 2juz h SER 62 CO 0.02 -0.14 0.47 0.78 -0.87 0.00 0.00 176.83 177.10 2juz h ASN 63 N -0.44 0.78 -0.77 4.97 -0.26 -1.24 0.68 115.58 119.30 2juz h ASN 63 Ca -0.04 -0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.66 2juz h ASN 63 Cb 0.33 -0.19 -0.04 0.00 -1.06 0.00 0.00 38.32 37.37 2juz h ASN 63 CO 0.06 0.55 0.35 0.28 -1.06 0.00 0.00 177.43 177.61 2juz h SER 64 N 0.92 1.03 -0.41 5.81 0.02 -1.22 -0.73 113.55 118.97 2juz h SER 64 Ca 0.27 -0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 61.01 2juz h SER 64 Cb -0.02 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.24 2juz h SER 64 CO -0.07 0.89 -0.08 -0.07 -1.14 0.00 0.00 176.83 176.36 2juz h LEU 65 N 1.12 0.78 -0.48 5.07 3.38 -0.43 0.58 115.31 125.33 2juz h LEU 65 Ca 0.27 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.92 2juz h LEU 65 Cb 0.15 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 2juz h LEU 65 CO -0.03 0.95 0.26 0.40 0.09 0.00 0.00 178.44 180.11 2juz h ILE 66 N 0.59 1.00 0.00 1.22 1.08 -0.47 -0.42 117.51 120.51 2juz h ILE 66 Ca 0.11 -0.18 -0.04 0.00 -0.39 0.00 0.00 64.86 64.36 2juz h ILE 66 Cb 0.60 0.44 -0.01 0.00 -3.07 0.00 0.00 36.82 34.78 2juz h ILE 66 CO 0.04 0.09 -0.18 0.78 -0.69 0.00 0.00 178.15 178.19 2juz h ASN 67 N 0.51 0.00 -0.43 1.72 2.35 -1.09 -2.67 115.58 115.97 2juz h ASN 67 Ca 0.20 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.86 2juz h ASN 67 Cb 0.08 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 2juz h ASN 67 CO -0.12 0.18 -0.08 0.00 -1.65 0.00 0.00 177.43 175.76 2juz h ALA 68 N 1.82 0.59 -0.48 -0.83 0.00 -0.09 -0.97 119.26 119.30 2juz h ALA 68 Ca -0.00 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.60 2juz h ALA 68 Cb 1.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2juz h ALA 68 CO 0.02 0.45 0.32 0.28 0.00 0.00 0.00 179.25 180.32 2juz h VAL 69 N 0.64 1.12 -0.96 0.00 2.07 -0.98 -1.36 116.25 116.78 2juz h VAL 69 Ca 0.11 -0.22 0.09 0.00 0.82 0.00 0.00 66.70 67.50 2juz h VAL 69 Cb 0.60 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 30.71 2juz h VAL 69 CO 0.04 0.12 0.62 0.11 0.02 0.00 0.00 177.57 178.47 2juz h LYS 70 N 0.65 1.00 0.00 1.57 1.57 -1.29 -0.33 116.57 119.74 2juz h LYS 70 Ca 0.18 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 2juz h LYS 70 Cb -0.07 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.01 2juz h LYS 70 CO -0.04 0.66 -0.18 1.15 -0.57 0.00 0.00 179.45 180.47 2juz h THR 71 N 1.03 0.44 0.00 -0.16 2.02 -0.37 0.23 112.91 116.11 2juz h THR 71 Ca 0.44 -0.99 -0.10 0.00 0.77 0.00 0.00 66.41 66.53 2juz h THR 71 Cb 0.32 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 2juz h THR 71 CO -0.19 0.17 -0.47 0.03 0.37 0.00 0.00 175.52 175.43 2juz h ARG 72 N 0.00 0.00 0.13 6.66 2.47 -0.03 -3.33 114.38 120.28 2juz h ARG 72 Ca -0.00 0.00 -0.35 0.00 -1.26 0.00 0.00 59.98 58.37 2juz h ARG 72 Cb 0.69 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.00 2juz h ARG 72 CO 0.02 0.46 -1.87 -0.07 0.56 0.00 0.00 179.97 179.08 2juz h LEU 73 N 0.00 0.42-10.24 3.04 3.38 -0.67 -3.48 115.31 107.76 2juz h LEU 73 Ca -0.01 -0.91 -0.52 0.00 0.09 0.00 0.00 57.88 56.53 2juz h LEU 73 Cb 1.36 -0.14 0.14 0.00 0.09 0.00 0.00 40.66 42.11 2juz h LEU 73 CO 0.06 1.81 0.34 -0.70 0.09 0.00 0.00 178.44 180.04 2juz s GLU 74 N -2.54 2.20 0.06 1.13 2.56 0.76 -5.05 118.70 117.81 2juz s GLU 74 Ca -0.22 1.44 0.09 0.00 0.00 0.00 0.00 54.97 56.28 2juz s GLU 74 Cb 0.06 -1.87 -0.03 0.00 2.00 0.00 0.00 34.13 34.29 2juz s GLU 74 CO 0.77 -1.73 -0.24 -1.01 -0.56 0.00 0.00 175.26 172.49 2juz s HIS 75 N -2.47 2.13 -0.10 5.30 3.76 -1.26 -4.92 115.29 117.72 2juz s HIS 75 Ca 0.67 -0.40 0.01 0.00 -0.15 0.00 0.00 55.06 55.19 2juz s HIS 75 Cb -0.22 -1.25 -0.02 0.00 1.11 0.00 0.00 32.58 32.20 2juz s HIS 75 CO 0.49 0.14 -0.11 -3.38 -0.85 0.00 0.00 174.74 171.03 2juz s HIS 76 N -0.85 2.83 0.36 1.40 -3.43 -1.26 -5.12 115.29 109.23 2juz s HIS 76 Ca 0.10 -0.38 0.05 0.00 -0.80 0.00 0.00 55.06 54.04 2juz s HIS 76 Cb -0.10 -1.78 -0.07 0.00 -1.43 0.00 0.00 32.58 29.20 2juz s HIS 76 CO 0.02 -0.01 0.04 -1.01 -2.00 0.00 0.00 174.74 171.79 2juz s HIS 77 N -0.09 2.18 -0.26 0.38 3.76 -1.26 -5.01 115.29 114.98 2juz s HIS 77 Ca -0.01 -0.85 -0.05 0.00 -0.15 0.00 0.00 55.06 54.00 2juz s HIS 77 Cb -0.14 -1.48 0.01 0.00 1.11 0.00 0.00 32.58 32.08 2juz s HIS 77 CO 0.03 0.18 0.17 1.58 -0.85 0.00 0.00 174.74 175.85 2juz n HIS 78 N -0.81 -2.82 0.09 1.40 -0.00 -1.26 -4.95 115.22 106.87 2juz n HIS 78 Ca -0.04 1.21 0.02 0.00 -0.00 0.00 0.00 57.72 58.92 2juz n HIS 78 Cb 0.67 -3.39 -0.02 0.00 -0.00 0.00 0.00 29.99 27.25 2juz n HIS 78 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 2juz h HIS 79 N 1.96 0.00 0.00 1.57 2.07 -2.07 -3.57 115.15 115.10 2juz h HIS 79 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2juz h HIS 79 Cb 0.29 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.27 2juz h HIS 79 CO 0.03 0.49 0.00 1.58 -3.07 0.00 0.00 177.93 176.96