#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ju3 s ASN 2 N 0.00 6.55 -0.58 7.83 -0.87 -1.26 -4.80 114.94 121.80 2ju3 s ASN 2 Ca 0.00 -1.64 -0.01 0.00 -1.57 0.00 0.00 52.86 49.64 2ju3 s ASN 2 Cb 0.00 -2.52 0.43 0.00 -0.02 0.00 0.00 41.25 39.14 2ju3 s ASN 2 CO 0.00 -1.38 2.01 0.49 -2.57 0.00 0.00 177.10 175.65 2ju3 n PHE 3 N 8.24 2.92 -2.11 2.20 3.72 -1.26 -4.95 117.46 126.22 2ju3 n PHE 3 Ca 0.31 -2.70 -0.41 0.00 -0.05 0.00 0.00 57.45 54.60 2ju3 n PHE 3 Cb 0.50 -1.31 -0.02 0.00 -0.94 0.00 0.00 39.48 37.71 2ju3 n PHE 3 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2ju3 s SER 4 N -1.42 6.77 0.00 4.37 0.01 -1.24 -4.73 113.70 117.46 2ju3 s SER 4 Ca 0.58 2.61 0.00 0.00 1.31 0.00 0.00 55.95 60.45 2ju3 s SER 4 Cb 0.46 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 64.06 2ju3 s SER 4 CO 0.00 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 173.68 2ju3 n GLY 5 N 1.64 -1.49 3.65 3.44 0.00 0.29 -4.93 105.19 107.80 2ju3 n GLY 5 Ca 0.04 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.46 2ju3 n GLY 5 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ju3 s LYS 6 N -2.00 3.29 -0.16 1.61 2.47 -1.26 0.16 119.74 123.85 2ju3 s LYS 6 Ca 0.00 -0.40 -0.00 0.00 -1.56 0.00 0.00 55.97 54.01 2ju3 s LYS 6 Cb 0.00 -2.91 0.04 0.00 -1.46 0.00 0.00 37.83 33.50 2ju3 s LYS 6 CO 0.00 0.56 -0.07 0.71 0.16 0.00 0.00 175.35 176.71 2ju3 s TYR 7 N -0.47 1.77 -0.25 4.03 1.51 0.27 -3.03 117.35 121.18 2ju3 s TYR 7 Ca 0.09 -1.08 -0.16 0.00 -1.01 0.00 0.00 57.07 54.91 2ju3 s TYR 7 Cb -0.12 -1.36 -0.04 0.00 -0.11 0.00 0.00 41.96 40.34 2ju3 s TYR 7 CO 0.02 -0.61 0.41 -1.14 -1.11 0.00 0.00 175.55 173.11 2ju3 s GLN 8 N 1.61 4.06 0.22 -0.62 -0.44 -0.10 0.37 119.66 124.76 2ju3 s GLN 8 Ca 0.02 0.13 -0.32 0.00 -2.50 0.00 0.00 55.36 52.69 2ju3 s GLN 8 Cb -0.15 -3.63 -0.12 0.00 -1.64 0.00 0.00 33.01 27.48 2ju3 s GLN 8 CO -0.08 -0.24 1.71 0.28 0.50 0.00 0.00 175.29 177.46 2ju3 n VAL 9 N 4.96 0.16 -0.02 1.34 0.31 -0.89 -1.09 118.33 123.11 2ju3 n VAL 9 Ca -0.07 -0.04 -0.04 0.00 -0.01 0.00 0.00 64.34 64.17 2ju3 n VAL 9 Cb 0.51 -2.00 -0.01 0.00 -0.91 0.00 0.00 33.84 31.43 2ju3 n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ju3 n GLN 10 N 3.70 0.25 -3.63 5.55 1.13 0.18 -4.69 117.38 119.88 2ju3 n GLN 10 Ca 0.15 0.10 -0.32 0.00 -1.94 0.00 0.00 57.00 54.99 2ju3 n GLN 10 Cb 0.35 -0.93 -0.05 0.00 0.11 0.00 0.00 30.24 29.73 2ju3 n GLN 10 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2ju3 s SER 11 N -5.87 6.52 0.06 1.08 0.01 -0.94 -4.91 113.70 109.64 2ju3 s SER 11 Ca -0.14 0.65 -0.14 0.00 1.31 0.00 0.00 55.95 57.63 2ju3 s SER 11 Cb 0.02 -2.12 0.02 0.00 0.21 0.00 0.00 66.02 64.16 2ju3 s SER 11 CO 0.20 0.04 0.33 -1.10 0.41 0.00 0.00 173.24 173.12 2ju3 s GLN 12 N -2.64 0.87 0.05 12.44 -0.21 -1.26 0.17 119.66 129.09 2ju3 s GLN 12 Ca 0.42 -0.55 0.02 0.00 0.02 0.00 0.00 55.36 55.26 2ju3 s GLN 12 Cb -0.12 0.38 -0.03 0.00 1.00 0.00 0.00 33.01 34.24 2ju3 s GLN 12 CO 0.24 -0.30 -0.07 -1.21 -2.12 0.00 0.00 175.29 171.84 2ju3 s GLU 13 N -2.84 0.57 -1.59 2.91 2.02 0.21 -4.83 118.70 115.14 2ju3 s GLU 13 Ca -0.03 -0.89 -0.16 0.00 0.02 0.00 0.00 54.97 53.91 2ju3 s GLU 13 Cb 0.00 -0.18 0.12 0.00 0.10 0.00 0.00 34.13 34.17 2ju3 s GLU 13 CO -0.05 0.01 0.88 0.09 0.02 0.00 0.00 175.26 176.21 2ju3 n ASN 14 N 1.07 -4.19 -0.04 -0.19 3.02 -1.26 -1.49 115.26 112.17 2ju3 n ASN 14 Ca -0.20 -0.85 -0.15 0.00 -0.03 0.00 0.00 54.58 53.35 2ju3 n ASN 14 Cb 0.56 -3.38 -0.04 0.00 -0.61 0.00 0.00 39.78 36.32 2ju3 n ASN 14 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2ju3 h PHE 15 N -1.77 1.02 0.89 3.10 3.04 -1.88 -3.11 116.94 118.23 2ju3 h PHE 15 Ca -0.57 -0.40 -0.04 0.00 3.98 0.00 0.00 57.97 60.93 2ju3 h PHE 15 Cb 1.37 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 39.71 2ju3 h PHE 15 CO 0.60 1.22 -0.46 0.93 -2.02 0.00 0.00 178.31 178.58 2ju3 h GLU 16 N 0.58 -1.19 -0.16 1.11 5.08 -1.88 -0.34 114.58 117.78 2ju3 h GLU 16 Ca -0.01 0.08 0.05 0.00 -1.00 0.00 0.00 59.36 58.48 2ju3 h GLU 16 Cb 1.25 0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.76 2ju3 h GLU 16 CO 0.13 -0.79 0.13 -1.00 -1.00 0.00 0.00 179.01 176.48 2ju3 h PRO 17 N -1.23 0.00 0.07 2.33 0.13 -1.95 1.53 132.00 132.87 2ju3 h PRO 17 Ca -0.12 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2ju3 h PRO 17 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2ju3 h PRO 17 CO 0.18 0.00 -0.03 0.35 -0.23 0.00 0.00 178.00 178.27 2ju3 h PHE 18 N 0.00 -0.08 -0.11 1.56 3.57 -1.44 -2.55 116.94 117.89 2ju3 h PHE 18 Ca 0.08 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.47 2ju3 h PHE 18 Cb 0.33 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 2ju3 h PHE 18 CO 0.00 0.50 -0.40 0.52 -2.23 0.00 0.00 178.31 176.69 2ju3 h MET 19 N -0.78 0.24 -0.14 1.11 2.86 0.11 0.86 114.93 119.18 2ju3 h MET 19 Ca -0.01 -0.11 0.01 0.00 -2.06 0.00 0.00 59.70 57.52 2ju3 h MET 19 Cb 0.62 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 2ju3 h MET 19 CO 0.01 0.61 0.08 0.87 1.06 0.00 0.00 176.91 179.54 2ju3 h LYS 20 N 0.21 0.16 0.00 1.72 1.57 0.20 0.68 116.57 121.10 2ju3 h LYS 20 Ca 0.02 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2ju3 h LYS 20 Cb 0.81 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2ju3 h LYS 20 CO 0.06 0.10 0.00 0.00 -0.57 0.00 0.00 179.45 179.05 2ju3 h ALA 21 N 1.07 1.00 -0.00 3.86 0.00 -1.20 0.04 119.26 124.03 2ju3 h ALA 21 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2ju3 h ALA 21 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2ju3 h ALA 21 CO -0.03 0.00 -0.00 -1.33 0.00 0.00 0.00 179.25 177.88 2ju3 n MET 22 N -3.00 0.47 0.00 0.00 2.81 0.27 -4.87 117.12 112.81 2ju3 n MET 22 Ca 0.01 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 2ju3 n MET 22 Cb 0.33 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 2ju3 n MET 22 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ju3 n GLY 23 N 1.27 1.11 3.71 3.03 0.00 -0.01 -5.01 105.19 109.29 2ju3 n GLY 23 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 2ju3 n GLY 23 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ju3 s LEU 24 N 0.00 4.27 0.56 0.99 2.96 0.22 -4.97 118.68 122.71 2ju3 s LEU 24 Ca 0.00 0.90 -0.19 0.00 -0.22 0.00 0.00 54.13 54.62 2ju3 s LEU 24 Cb 0.00 -2.80 -0.05 0.00 0.50 0.00 0.00 46.19 43.84 2ju3 s LEU 24 CO 0.00 -0.06 1.15 -2.16 -1.32 0.00 0.00 176.35 173.97 2ju3 s PRO 25 N 0.81 3.23 0.37 0.98 0.04 -1.26 -4.00 135.00 135.17 2ju3 s PRO 25 Ca 0.29 1.68 0.12 0.00 0.04 0.00 0.00 61.00 63.12 2ju3 s PRO 25 Cb -0.16 -1.98 0.91 0.00 0.04 0.00 0.00 34.50 33.31 2ju3 s PRO 25 CO 0.12 -0.96 1.84 1.05 0.04 0.00 0.00 177.00 179.08 2ju3 h GLU 26 N 1.08 0.57 -0.42 4.56 9.09 -1.97 0.67 114.58 128.17 2ju3 h GLU 26 Ca -0.50 -0.03 -0.06 0.00 0.05 0.00 0.00 59.36 58.81 2ju3 h GLU 26 Cb 1.27 -0.13 -0.02 0.00 -1.65 0.00 0.00 28.75 28.23 2ju3 h GLU 26 CO 0.56 0.38 0.03 0.22 0.05 0.00 0.00 179.01 180.25 2ju3 h ASP 27 N 0.59 0.70 0.55 3.06 3.58 -2.00 0.15 116.42 123.06 2ju3 h ASP 27 Ca 0.49 -0.29 -0.16 0.00 0.42 0.00 0.00 57.03 57.50 2ju3 h ASP 27 Cb 0.97 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.81 2ju3 h ASP 27 CO -0.24 0.82 -0.70 -0.07 -2.88 0.00 0.00 179.24 176.17 2ju3 h LEU 28 N 0.56 0.15 -0.31 2.28 3.38 -1.51 -2.94 115.31 116.92 2ju3 h LEU 28 Ca 0.12 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.02 2ju3 h LEU 28 Cb 0.44 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 2ju3 h LEU 28 CO 0.02 0.79 0.13 0.40 0.09 0.00 0.00 178.44 179.87 2ju3 h ILE 29 N 0.08 0.96 0.00 1.22 1.08 0.74 0.32 117.51 121.90 2ju3 h ILE 29 Ca -0.01 -0.10 -0.05 0.00 -0.39 0.00 0.00 64.86 64.31 2ju3 h ILE 29 Cb 1.23 0.65 -0.01 0.00 -3.07 0.00 0.00 36.82 35.63 2ju3 h ILE 29 CO 0.10 0.05 -0.22 1.56 -0.69 0.00 0.00 178.15 178.96 2ju3 h GLN 30 N 0.29 0.00 0.00 2.37 1.08 -0.63 0.73 115.11 118.95 2ju3 h GLN 30 Ca 0.13 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.33 2ju3 h GLN 30 Cb 0.07 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.50 2ju3 h GLN 30 CO -0.11 0.22 -0.02 0.87 -0.95 0.00 0.00 178.83 178.84 2ju3 h LYS 31 N 0.00 0.00 0.00 1.46 1.57 -1.23 -3.29 116.57 115.08 2ju3 h LYS 31 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ju3 h LYS 31 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2ju3 h LYS 31 CO 0.03 0.31 0.00 0.78 -0.57 0.00 0.00 179.45 180.00 2ju3 h GLY 32 N -1.00 0.00 1.40 3.86 0.00 -0.38 -2.78 103.07 104.16 2ju3 h GLY 32 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.41 2ju3 h GLY 32 CO -0.00 0.00 0.22 1.70 0.00 0.00 0.00 176.54 178.46 2ju3 h LYS 33 N 0.00 0.00 -0.01 4.80 3.64 -0.91 -0.48 116.57 123.60 2ju3 h LYS 33 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2ju3 h LYS 33 Cb 0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2ju3 h LYS 33 CO 0.00 0.00 -0.40 -3.47 -2.27 0.00 0.00 179.45 173.31 2ju3 n ASP 34 N -4.27 1.70 -4.71 4.20 2.03 -1.05 -4.91 116.55 109.54 2ju3 n ASP 34 Ca 0.04 -1.31 -0.42 0.00 0.52 0.00 0.00 54.79 53.62 2ju3 n ASP 34 Cb 0.38 0.36 -0.03 0.00 -0.72 0.00 0.00 41.12 41.11 2ju3 n ASP 34 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2ju3 s ILE 35 N -2.48 4.86 -0.02 5.18 1.09 -0.19 -5.03 121.20 124.61 2ju3 s ILE 35 Ca 0.21 2.05 -0.01 0.00 -1.10 0.00 0.00 60.65 61.80 2ju3 s ILE 35 Cb 0.18 -4.32 0.02 0.00 -1.06 0.00 0.00 42.46 37.29 2ju3 s ILE 35 CO 0.55 0.14 0.04 -0.54 -0.10 0.00 0.00 174.94 175.03 2ju3 s LYS 36 N 1.16 0.01 0.01 2.79 3.01 -1.26 -4.89 119.74 120.56 2ju3 s LYS 36 Ca 0.51 0.13 0.00 0.00 -1.01 0.00 0.00 55.97 55.60 2ju3 s LYS 36 Cb -0.21 -0.11 0.00 0.00 -1.01 0.00 0.00 37.83 36.51 2ju3 s LYS 36 CO 0.26 -0.09 0.02 0.41 0.51 0.00 0.00 175.35 176.47 2ju3 n GLY 37 N 3.63 1.50 3.61 -3.33 0.00 -1.08 -4.84 105.19 104.68 2ju3 n GLY 37 Ca -0.20 -2.07 -0.35 0.00 0.00 0.00 0.00 46.02 43.41 2ju3 n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ju3 s VAL 38 N 0.65 4.73 -0.24 1.61 1.01 -1.26 -2.08 120.40 124.82 2ju3 s VAL 38 Ca 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 2ju3 s VAL 38 Cb -0.00 -3.14 0.02 0.00 0.00 0.00 0.00 36.38 33.26 2ju3 s VAL 38 CO 0.01 0.44 -0.08 -0.94 0.00 0.00 0.00 175.10 174.53 2ju3 s SER 39 N 0.53 4.15 -0.21 3.32 1.04 0.16 -2.34 113.70 120.35 2ju3 s SER 39 Ca 0.03 -0.84 -0.11 0.00 0.48 0.00 0.00 55.95 55.51 2ju3 s SER 39 Cb -0.13 -1.64 -0.05 0.00 0.10 0.00 0.00 66.02 64.31 2ju3 s SER 39 CO 0.01 -0.11 0.18 -0.70 0.98 0.00 0.00 173.24 173.61 2ju3 s GLU 40 N 1.32 4.15 -0.19 4.02 2.12 0.13 0.93 118.70 131.18 2ju3 s GLU 40 Ca 0.01 -0.17 0.01 0.00 0.36 0.00 0.00 54.97 55.18 2ju3 s GLU 40 Cb -0.16 -3.48 0.04 0.00 0.26 0.00 0.00 34.13 30.79 2ju3 s GLU 40 CO -0.06 0.17 -0.11 0.42 -0.54 0.00 0.00 175.26 175.14 2ju3 s ILE 41 N 0.74 1.62 -0.22 -3.70 -1.09 0.12 -0.98 121.20 117.69 2ju3 s ILE 41 Ca 0.10 -0.91 0.01 0.00 -2.23 0.00 0.00 60.65 57.61 2ju3 s ILE 41 Cb -0.13 -1.65 0.05 0.00 -1.58 0.00 0.00 42.46 39.16 2ju3 s ILE 41 CO 0.02 0.24 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.22 2ju3 s VAL 42 N 1.42 1.49 -0.31 2.92 1.01 -0.94 0.10 120.40 126.09 2ju3 s VAL 42 Ca 0.00 -1.10 -0.09 0.00 0.00 0.00 0.00 61.98 60.80 2ju3 s VAL 42 Cb -0.15 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.52 2ju3 s VAL 42 CO -0.09 -0.02 0.13 -2.28 0.00 0.00 0.00 175.10 172.83 2ju3 s HIS 43 N 1.43 3.17 -0.24 5.22 5.04 -1.26 0.89 115.29 129.54 2ju3 s HIS 43 Ca -0.04 -0.78 0.02 0.00 -1.54 0.00 0.00 55.06 52.72 2ju3 s HIS 43 Cb -0.18 -2.32 0.05 0.00 0.04 0.00 0.00 32.58 30.17 2ju3 s HIS 43 CO -0.07 -0.52 -0.13 -1.83 -2.34 0.00 0.00 174.74 169.85 2ju3 s GLU 44 N 1.56 2.46 5.01 2.88 -1.05 0.12 -4.55 118.70 125.12 2ju3 s GLU 44 Ca 0.03 -1.20 0.00 0.00 -0.15 0.00 0.00 54.97 53.65 2ju3 s GLU 44 Cb -0.17 -2.82 0.00 0.00 -0.44 0.00 0.00 34.13 30.69 2ju3 s GLU 44 CO 0.05 -0.48 0.00 0.41 0.95 0.00 0.00 175.26 176.19 2ju3 n GLY 45 N 4.49 1.17 0.13 -3.83 0.00 -1.26 -1.87 105.19 104.02 2ju3 n GLY 45 Ca -0.16 0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 2ju3 n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ju3 n LYS 46 N 0.00 0.64 -2.46 1.61 4.01 -1.26 -4.96 118.16 115.74 2ju3 n LYS 46 Ca 0.00 0.33 -0.41 0.00 -0.51 0.00 0.00 58.31 57.72 2ju3 n LYS 46 Cb 0.00 -1.63 -0.04 0.00 -0.51 0.00 0.00 35.03 32.86 2ju3 n LYS 46 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2ju3 s LYS 47 N -2.48 4.56 -0.06 1.97 1.02 -0.78 -1.98 119.74 121.98 2ju3 s LYS 47 Ca -0.31 1.79 0.06 0.00 0.02 0.00 0.00 55.97 57.52 2ju3 s LYS 47 Cb 0.09 -3.26 -0.01 0.00 -0.52 0.00 0.00 37.83 34.13 2ju3 s LYS 47 CO 0.61 0.02 -0.25 0.08 -0.92 0.00 0.00 175.35 174.90 2ju3 s VAL 48 N -0.24 2.08 -0.00 3.17 1.01 0.18 0.11 120.40 126.70 2ju3 s VAL 48 Ca 0.50 -1.06 -0.22 0.00 0.00 0.00 0.00 61.98 61.20 2ju3 s VAL 48 Cb -0.31 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 2ju3 s VAL 48 CO 0.36 0.57 0.66 -0.75 0.00 0.00 0.00 175.10 175.94 2ju3 s LYS 49 N -0.15 4.39 -0.25 2.72 2.20 0.26 -0.78 119.74 128.13 2ju3 s LYS 49 Ca -0.04 0.84 -0.01 0.00 -0.36 0.00 0.00 55.97 56.41 2ju3 s LYS 49 Cb -0.14 -3.36 0.07 0.00 -1.51 0.00 0.00 37.83 32.89 2ju3 s LYS 49 CO 0.04 0.30 0.02 -0.51 -0.36 0.00 0.00 175.35 174.84 2ju3 s LEU 50 N -0.00 2.17 -0.31 5.43 1.02 0.15 -2.22 118.68 124.92 2ju3 s LEU 50 Ca 0.34 -1.24 -0.07 0.00 0.02 0.00 0.00 54.13 53.18 2ju3 s LEU 50 Cb -0.19 -0.94 0.01 0.00 0.02 0.00 0.00 46.19 45.10 2ju3 s LEU 50 CO 0.19 -0.31 0.09 -0.89 0.02 0.00 0.00 176.35 175.45 2ju3 s THR 51 N 1.57 3.98 -0.06 5.49 2.01 -0.16 -1.37 115.64 127.10 2ju3 s THR 51 Ca 0.01 -0.76 0.02 0.00 0.31 0.00 0.00 61.69 61.27 2ju3 s THR 51 Cb -0.18 -3.09 0.02 0.00 0.01 0.00 0.00 72.50 69.26 2ju3 s THR 51 CO -0.12 0.03 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.11 2ju3 s ILE 52 N 1.49 0.97 -0.24 1.82 1.01 0.10 0.19 121.20 126.54 2ju3 s ILE 52 Ca 0.02 -0.38 -0.10 0.00 0.00 0.00 0.00 60.65 60.20 2ju3 s ILE 52 Cb -0.18 -0.91 -0.05 0.00 0.01 0.00 0.00 42.46 41.34 2ju3 s ILE 52 CO 0.03 0.32 0.13 -0.89 0.00 0.00 0.00 174.94 174.53 2ju3 s THR 53 N 0.77 5.10 -0.49 2.92 2.01 -0.99 0.09 115.64 125.06 2ju3 s THR 53 Ca -0.13 0.09 -0.05 0.00 0.31 0.00 0.00 61.69 61.91 2ju3 s THR 53 Cb -0.15 -3.37 0.13 0.00 0.01 0.00 0.00 72.50 69.11 2ju3 s THR 53 CO 0.02 0.35 0.32 -0.31 -0.69 0.00 0.00 174.62 174.31 2ju3 s TYR 54 N 1.13 3.51 0.00 4.92 2.02 0.18 -2.63 117.35 126.49 2ju3 s TYR 54 Ca 0.06 -2.30 0.00 0.00 -0.37 0.00 0.00 57.07 54.47 2ju3 s TYR 54 Cb -0.14 -3.33 0.00 0.00 -0.40 0.00 0.00 41.96 38.09 2ju3 s TYR 54 CO 0.05 -0.95 0.00 0.41 -1.57 0.00 0.00 175.55 173.48 2ju3 n GLY 55 N 4.45 0.51 0.13 0.71 0.00 -1.26 -2.82 105.19 106.90 2ju3 n GLY 55 Ca -0.01 0.58 -0.25 0.00 0.00 0.00 0.00 46.02 46.34 2ju3 n GLY 55 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ju3 n SER 56 N 5.06 1.94 -4.88 1.61 3.41 -1.26 -4.98 113.62 114.51 2ju3 n SER 56 Ca 0.00 0.32 -0.30 0.00 -0.26 0.00 0.00 58.87 58.62 2ju3 n SER 56 Cb 0.00 -0.84 -0.03 0.00 -0.26 0.00 0.00 64.21 63.07 2ju3 n SER 56 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2ju3 s LYS 57 N -2.46 3.78 -0.16 4.33 1.02 -1.13 -5.07 119.74 120.06 2ju3 s LYS 57 Ca -0.33 0.43 0.00 0.00 0.02 0.00 0.00 55.97 56.09 2ju3 s LYS 57 Cb 0.10 -2.43 0.03 0.00 -0.52 0.00 0.00 37.83 35.01 2ju3 s LYS 57 CO 0.56 0.01 -0.12 0.08 -0.92 0.00 0.00 175.35 174.96 2ju3 s VAL 58 N -2.30 1.53 -0.25 3.17 1.01 -1.26 -0.64 120.40 121.66 2ju3 s VAL 58 Ca 0.51 -0.70 -0.15 0.00 0.00 0.00 0.00 61.98 61.63 2ju3 s VAL 58 Cb -0.10 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 2ju3 s VAL 58 CO 0.30 0.37 0.37 -0.63 0.00 0.00 0.00 175.10 175.50 2ju3 s ILE 59 N 1.49 5.19 -0.19 2.22 1.09 0.11 -4.93 121.20 126.18 2ju3 s ILE 59 Ca 0.03 0.59 0.01 0.00 -1.10 0.00 0.00 60.65 60.18 2ju3 s ILE 59 Cb -0.14 -3.70 0.02 0.00 -1.06 0.00 0.00 42.46 37.59 2ju3 s ILE 59 CO -0.10 0.20 -0.19 -2.28 -0.10 0.00 0.00 174.94 172.47 2ju3 s HIS 60 N 1.77 2.82 -0.01 3.97 2.46 -1.26 0.00 115.29 125.04 2ju3 s HIS 60 Ca 0.16 -1.65 -0.21 0.00 0.47 0.00 0.00 55.06 53.82 2ju3 s HIS 60 Cb -0.15 -1.93 0.04 0.00 -0.13 0.00 0.00 32.58 30.41 2ju3 s HIS 60 CO 0.09 -0.80 0.46 0.54 -2.47 0.00 0.00 174.74 172.55 2ju3 s ASN 61 N 1.29 -0.37 0.02 9.88 2.20 -0.47 -4.90 114.94 122.58 2ju3 s ASN 61 Ca 0.04 0.28 0.06 0.00 -0.94 0.00 0.00 52.86 52.30 2ju3 s ASN 61 Cb -0.13 0.41 -0.03 0.00 -2.00 0.00 0.00 41.25 39.50 2ju3 s ASN 61 CO -0.12 -0.55 -0.15 -1.61 -2.94 0.00 0.00 177.10 171.73 2ju3 s GLU 62 N -1.53 2.23 0.05 3.55 8.01 -1.26 0.29 118.70 130.04 2ju3 s GLU 62 Ca -0.11 -0.89 0.05 0.00 0.01 0.00 0.00 54.97 54.03 2ju3 s GLU 62 Cb -0.03 -2.28 -0.02 0.00 -4.31 0.00 0.00 34.13 27.49 2ju3 s GLU 62 CO 0.05 0.56 -0.13 -0.59 0.01 0.00 0.00 175.26 175.16 2ju3 s PHE 63 N -0.91 1.14 -0.17 1.61 -0.12 0.04 -4.81 117.98 114.76 2ju3 s PHE 63 Ca 0.15 -0.39 -0.06 0.00 -0.05 0.00 0.00 56.93 56.57 2ju3 s PHE 63 Cb -0.11 -0.66 -0.04 0.00 -0.63 0.00 0.00 43.02 41.58 2ju3 s PHE 63 CO 0.05 0.03 0.03 0.99 -0.05 0.00 0.00 175.22 176.27 2ju3 s THR 64 N -1.02 4.49 0.05 -4.49 2.01 -1.26 0.47 115.64 115.88 2ju3 s THR 64 Ca -0.01 -0.14 -0.30 0.00 0.31 0.00 0.00 61.69 61.54 2ju3 s THR 64 Cb -0.09 -3.00 -0.08 0.00 0.01 0.00 0.00 72.50 69.34 2ju3 s THR 64 CO 0.01 0.47 1.69 -0.76 -0.69 0.00 0.00 174.62 175.35 2ju3 s LEU 65 N 0.34 4.37 -0.49 4.42 2.01 -0.84 -2.12 118.68 126.38 2ju3 s LEU 65 Ca 0.01 2.47 0.00 0.00 0.01 0.00 0.00 54.13 56.62 2ju3 s LEU 65 Cb -0.13 -3.55 0.00 0.00 0.01 0.00 0.00 46.19 42.52 2ju3 s LEU 65 CO 0.01 -0.92 0.00 0.61 1.01 0.00 0.00 176.35 177.06 2ju3 n GLY 66 N 4.09 0.67 3.05 -3.19 0.00 0.41 -4.88 105.19 105.34 2ju3 n GLY 66 Ca 0.17 -0.26 -0.19 0.00 0.00 0.00 0.00 46.02 45.73 2ju3 n GLY 66 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ju3 s GLU 67 N -1.82 0.78 -0.34 1.61 2.56 -0.90 -5.01 118.70 115.59 2ju3 s GLU 67 Ca 0.00 -0.45 -0.29 0.00 0.00 0.00 0.00 54.97 54.23 2ju3 s GLU 67 Cb 0.00 -0.75 -0.00 0.00 2.00 0.00 0.00 34.13 35.37 2ju3 s GLU 67 CO 0.00 0.20 1.54 -2.00 -0.56 0.00 0.00 175.26 174.44 2ju3 s GLU 68 N -0.49 3.59 0.04 4.30 2.12 -1.26 -3.94 118.70 123.06 2ju3 s GLU 68 Ca 0.02 1.23 0.06 0.00 0.36 0.00 0.00 54.97 56.64 2ju3 s GLU 68 Cb -0.05 -4.06 -0.03 0.00 0.26 0.00 0.00 34.13 30.25 2ju3 s GLU 68 CO -0.00 -1.54 -0.13 0.00 -0.54 0.00 0.00 175.26 173.05 2ju3 s GLU 70 N -1.58 4.18 -0.03 0.00 2.02 -1.26 0.67 118.70 122.69 2ju3 s GLU 70 Ca 0.17 0.32 0.01 0.00 0.02 0.00 0.00 54.97 55.48 2ju3 s GLU 70 Cb -0.11 -3.56 -0.03 0.00 0.10 0.00 0.00 34.13 30.53 2ju3 s GLU 70 CO 0.08 -0.11 -0.02 -0.51 0.02 0.00 0.00 175.26 174.71 2ju3 s LEU 71 N 1.53 3.41 -0.06 1.80 1.43 0.22 -4.86 118.68 122.15 2ju3 s LEU 71 Ca 0.22 -0.00 0.06 0.00 -1.03 0.00 0.00 54.13 53.37 2ju3 s LEU 71 Cb -0.15 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 2ju3 s LEU 71 CO 0.09 0.31 -0.25 -0.70 0.23 0.00 0.00 176.35 176.04 2ju3 s GLU 72 N -1.28 2.56 0.32 1.70 2.12 -1.26 0.91 118.70 123.77 2ju3 s GLU 72 Ca 0.17 -0.90 0.04 0.00 0.36 0.00 0.00 54.97 54.64 2ju3 s GLU 72 Cb -0.11 -2.17 0.06 0.00 0.26 0.00 0.00 34.13 32.16 2ju3 s GLU 72 CO 0.07 0.38 0.44 0.25 -0.54 0.00 0.00 175.26 175.86 2ju3 n THR 73 N 2.94 0.00 1.51 -1.70 -2.24 -0.95 -4.83 114.28 109.00 2ju3 n THR 73 Ca -0.17 -0.98 0.13 0.00 -2.27 0.00 0.00 64.05 60.75 2ju3 n THR 73 Cb 0.52 -0.81 0.74 0.00 -2.10 0.00 0.00 70.33 68.68 2ju3 n THR 73 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65 2ju3 n MET 74 N -1.72 0.66 0.05 -0.78 0.00 -1.26 -2.49 117.12 111.58 2ju3 n MET 74 Ca 0.09 0.02 0.08 0.00 0.00 0.00 0.00 57.70 57.88 2ju3 n MET 74 Cb 0.31 -1.50 -0.07 0.00 0.00 0.00 0.00 33.22 31.97 2ju3 n MET 74 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2ju3 n THR 75 N -1.11 0.64 0.00 3.17 -2.24 -1.26 -4.95 114.28 108.53 2ju3 n THR 75 Ca 0.17 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 2ju3 n THR 75 Cb 0.13 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 2ju3 n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ju3 n GLY 76 N 1.28 2.75 3.69 3.38 0.00 -1.04 -5.06 105.19 110.18 2ju3 n GLY 76 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 2ju3 n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ju3 s GLU 77 N -0.65 4.41 -0.04 1.61 8.01 -1.26 -4.76 118.70 126.01 2ju3 s GLU 77 Ca 0.00 1.46 0.02 0.00 0.01 0.00 0.00 54.97 56.46 2ju3 s GLU 77 Cb 0.00 -3.54 -0.03 0.00 -4.31 0.00 0.00 34.13 26.25 2ju3 s GLU 77 CO 0.00 -0.34 -0.08 0.21 0.01 0.00 0.00 175.26 175.06 2ju3 s LYS 78 N 2.03 2.66 -0.02 1.61 2.36 -1.26 -2.25 119.74 124.88 2ju3 s LYS 78 Ca 0.50 -0.61 0.03 0.00 -2.55 0.00 0.00 55.97 53.33 2ju3 s LYS 78 Cb -0.20 -2.54 -0.00 0.00 -1.05 0.00 0.00 37.83 34.04 2ju3 s LYS 78 CO 0.19 0.64 -0.09 0.54 1.55 0.00 0.00 175.35 178.18 2ju3 s VAL 79 N -0.86 0.77 0.07 4.02 0.11 0.26 -4.89 120.40 119.88 2ju3 s VAL 79 Ca 0.14 -0.38 -0.31 0.00 -2.93 0.00 0.00 61.98 58.50 2ju3 s VAL 79 Cb -0.11 -0.67 -0.08 0.00 -1.53 0.00 0.00 36.38 33.99 2ju3 s VAL 79 CO 0.03 0.23 1.71 -0.54 -3.33 0.00 0.00 175.10 173.21 2ju3 s LYS 80 N 0.02 4.18 0.05 1.54 1.02 -1.26 0.71 119.74 126.00 2ju3 s LYS 80 Ca -0.00 2.40 -0.01 0.00 0.02 0.00 0.00 55.97 58.37 2ju3 s LYS 80 Cb -0.06 -3.68 -0.04 0.00 -0.52 0.00 0.00 37.83 33.53 2ju3 s LYS 80 CO 0.00 -0.78 -0.03 0.00 -0.92 0.00 0.00 175.35 173.62 2ju3 s ALA 81 N 2.93 0.54 -0.18 5.17 0.00 0.21 -4.87 121.76 125.56 2ju3 s ALA 81 Ca 0.76 -1.22 0.01 0.00 0.00 0.00 0.00 51.96 51.51 2ju3 s ALA 81 Cb -0.41 0.28 0.02 0.00 0.00 0.00 0.00 23.12 23.01 2ju3 s ALA 81 CO 0.34 -0.37 -0.20 0.08 0.00 0.00 0.00 175.76 175.61 2ju3 s VAL 82 N -3.91 2.09 -0.19 0.00 1.01 -1.26 0.85 120.40 119.00 2ju3 s VAL 82 Ca 0.07 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 2ju3 s VAL 82 Cb 0.08 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 2ju3 s VAL 82 CO -0.10 0.54 -0.06 0.54 0.00 0.00 0.00 175.10 176.02 2ju3 s VAL 83 N 1.29 3.38 0.20 2.92 0.11 -1.25 -4.22 120.40 122.83 2ju3 s VAL 83 Ca 0.05 -0.51 -0.05 0.00 -2.93 0.00 0.00 61.98 58.54 2ju3 s VAL 83 Cb -0.13 -2.50 -0.03 0.00 -1.53 0.00 0.00 36.38 32.19 2ju3 s VAL 83 CO -0.13 0.46 0.23 -0.75 -3.33 0.00 0.00 175.10 171.59 2ju3 s LYS 84 N 0.99 1.24 0.14 1.54 2.20 -1.13 -0.44 119.74 124.28 2ju3 s LYS 84 Ca -0.00 -1.43 -0.30 0.00 -0.36 0.00 0.00 55.97 53.88 2ju3 s LYS 84 Cb -0.15 0.33 -0.06 0.00 -1.51 0.00 0.00 37.83 36.44 2ju3 s LYS 84 CO 0.00 -0.44 1.00 -1.64 -0.36 0.00 0.00 175.35 173.91 2ju3 s MET 85 N -4.08 4.68 -0.09 4.03 -1.94 -1.26 -1.08 119.30 119.57 2ju3 s MET 85 Ca 0.29 1.52 -0.06 0.00 -1.71 0.00 0.00 55.69 55.74 2ju3 s MET 85 Cb 0.05 -3.34 -0.04 0.00 2.01 0.00 0.00 34.83 33.50 2ju3 s MET 85 CO 0.08 0.20 0.15 -2.00 -0.01 0.00 0.00 175.02 173.44 2ju3 s GLU 86 N -0.18 3.43 -1.11 2.03 2.12 -0.91 -4.85 118.70 119.23 2ju3 s GLU 86 Ca 0.47 -0.19 -0.21 0.00 0.36 0.00 0.00 54.97 55.40 2ju3 s GLU 86 Cb -0.25 -3.15 -0.08 0.00 0.26 0.00 0.00 34.13 30.91 2ju3 s GLU 86 CO 0.31 0.75 1.92 0.41 -0.54 0.00 0.00 175.26 178.11 2ju3 n GLY 87 N 1.69 1.86 0.76 -1.50 0.00 -1.26 -3.62 105.19 103.11 2ju3 n GLY 87 Ca -0.17 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.84 2ju3 n GLY 87 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ju3 n ASP 88 N 11.17 0.00 0.00 1.61 -0.08 -1.26 -5.07 116.55 122.92 2ju3 n ASP 88 Ca 0.47 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.75 2ju3 n ASP 88 Cb 0.44 0.15 0.00 0.00 2.34 0.00 0.00 41.12 44.05 2ju3 n ASP 88 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2ju3 n ASN 89 N -1.57 0.00 -3.22 1.67 5.03 -1.24 -5.01 115.26 110.92 2ju3 n ASN 89 Ca 0.00 0.00 -0.14 0.00 0.87 0.00 0.00 54.58 55.31 2ju3 n ASN 89 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 38.72 2ju3 n ASN 89 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2ju3 s LYS 90 N -1.00 1.94 0.10 3.52 1.02 -1.22 -3.12 119.74 120.98 2ju3 s LYS 90 Ca 0.00 -1.73 0.02 0.00 0.02 0.00 0.00 55.97 54.28 2ju3 s LYS 90 Cb 0.00 0.46 -0.04 0.00 -0.52 0.00 0.00 37.83 37.73 2ju3 s LYS 90 CO 0.00 -0.81 0.17 -1.64 -0.92 0.00 0.00 175.35 172.14 2ju3 s MET 91 N -2.99 3.16 -0.06 1.68 -1.94 -1.09 -2.14 119.30 115.91 2ju3 s MET 91 Ca 0.29 -0.62 0.01 0.00 -1.71 0.00 0.00 55.69 53.66 2ju3 s MET 91 Cb -0.01 -2.86 -0.03 0.00 2.01 0.00 0.00 34.83 33.94 2ju3 s MET 91 CO 0.20 0.56 -0.06 0.08 -0.01 0.00 0.00 175.02 175.78 2ju3 s VAL 92 N -1.54 3.74 -0.03 -6.03 1.01 -0.24 -2.09 120.40 115.21 2ju3 s VAL 92 Ca 0.32 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.83 2ju3 s VAL 92 Cb -0.12 -2.54 0.01 0.00 0.00 0.00 0.00 36.38 33.74 2ju3 s VAL 92 CO 0.25 0.58 -0.06 0.28 0.00 0.00 0.00 175.10 176.16 2ju3 s THR 93 N -0.83 0.58 -0.19 3.92 -1.32 0.78 -2.83 115.64 115.75 2ju3 s THR 93 Ca 0.13 -0.20 -0.04 0.00 -1.21 0.00 0.00 61.69 60.36 2ju3 s THR 93 Cb -0.11 -0.56 -0.02 0.00 -1.51 0.00 0.00 72.50 70.30 2ju3 s THR 93 CO 0.02 0.21 -0.03 -0.89 -2.21 0.00 0.00 174.62 171.72 2ju3 s THR 94 N 0.52 3.71 -0.05 5.08 2.01 -1.26 -0.34 115.64 125.31 2ju3 s THR 94 Ca -0.07 -0.40 -0.11 0.00 0.31 0.00 0.00 61.69 61.42 2ju3 s THR 94 Cb -0.11 -2.66 0.02 0.00 0.01 0.00 0.00 72.50 69.76 2ju3 s THR 94 CO 0.00 0.45 0.25 0.72 -0.69 0.00 0.00 174.62 175.35 2ju3 s PHE 95 N 0.95 -0.19 -1.06 4.92 -0.71 0.13 -4.34 117.98 117.68 2ju3 s PHE 95 Ca 0.00 0.41 0.00 0.00 -1.04 0.00 0.00 56.93 56.31 2ju3 s PHE 95 Cb -0.14 0.07 0.00 0.00 -1.21 0.00 0.00 43.02 41.73 2ju3 s PHE 95 CO 0.01 -0.25 0.00 1.63 -1.34 0.00 0.00 175.22 175.28 2ju3 n LYS 96 N 2.14 -1.59 -0.06 1.99 5.02 -1.26 -0.53 118.16 123.87 2ju3 n LYS 96 Ca -0.17 0.73 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 2ju3 n LYS 96 Cb 0.57 -4.92 0.00 0.00 -0.02 0.00 0.00 35.03 30.66 2ju3 n LYS 96 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ju3 n GLY 97 N 0.09 1.03 3.87 0.72 0.00 -1.26 -5.04 105.19 104.60 2ju3 n GLY 97 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 2ju3 n GLY 97 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2ju3 s ILE 98 N -2.43 5.12 -0.18 -0.61 -5.25 0.31 -4.86 121.20 113.30 2ju3 s ILE 98 Ca 0.00 0.38 -0.04 0.00 -0.99 0.00 0.00 60.65 60.00 2ju3 s ILE 98 Cb 0.00 -3.64 -0.02 0.00 2.95 0.00 0.00 42.46 41.75 2ju3 s ILE 98 CO 0.00 0.26 -0.03 -0.54 -1.79 0.00 0.00 174.94 172.84 2ju3 s LYS 99 N -2.00 3.57 -0.05 0.37 3.01 -0.14 0.21 119.74 124.71 2ju3 s LYS 99 Ca 0.34 -0.55 0.02 0.00 -1.01 0.00 0.00 55.97 54.76 2ju3 s LYS 99 Cb -0.14 -2.97 0.01 0.00 -1.01 0.00 0.00 37.83 33.73 2ju3 s LYS 99 CO 0.19 0.07 -0.11 -1.12 0.51 0.00 0.00 175.35 174.89 2ju3 s SER 100 N 0.81 1.56 -0.12 2.83 0.01 0.54 0.11 113.70 119.43 2ju3 s SER 100 Ca -0.01 -0.26 -0.06 0.00 1.31 0.00 0.00 55.95 56.93 2ju3 s SER 100 Cb -0.14 -0.67 -0.04 0.00 0.21 0.00 0.00 66.02 65.37 2ju3 s SER 100 CO 0.02 0.03 0.11 0.54 0.41 0.00 0.00 173.24 174.34 2ju3 s VAL 101 N 0.60 5.22 -0.05 3.43 0.11 0.41 -0.15 120.40 129.97 2ju3 s VAL 101 Ca -0.12 0.10 0.06 0.00 -2.93 0.00 0.00 61.98 59.10 2ju3 s VAL 101 Cb -0.14 -3.27 -0.02 0.00 -1.53 0.00 0.00 36.38 31.42 2ju3 s VAL 101 CO 0.03 0.59 -0.24 -0.89 -3.33 0.00 0.00 175.10 171.26 2ju3 s THR 102 N -0.82 2.22 -0.01 5.04 2.01 -0.89 0.27 115.64 123.46 2ju3 s THR 102 Ca 0.13 -1.02 0.04 0.00 0.31 0.00 0.00 61.69 61.15 2ju3 s THR 102 Cb -0.12 -1.80 -0.01 0.00 0.01 0.00 0.00 72.50 70.58 2ju3 s THR 102 CO 0.03 0.57 -0.13 -0.70 -0.69 0.00 0.00 174.62 173.71 2ju3 s GLU 103 N -0.38 1.02 -0.33 4.92 2.12 0.26 -2.68 118.70 123.63 2ju3 s GLU 103 Ca 0.03 -0.46 -0.02 0.00 0.36 0.00 0.00 54.97 54.88 2ju3 s GLU 103 Cb -0.12 -0.99 0.06 0.00 0.26 0.00 0.00 34.13 33.34 2ju3 s GLU 103 CO 0.02 0.27 0.05 0.12 -0.54 0.00 0.00 175.26 175.18 2ju3 s PHE 104 N -0.32 3.36 -0.44 5.30 2.19 -1.18 0.23 117.98 127.11 2ju3 s PHE 104 Ca 0.05 -2.02 -0.02 0.00 0.33 0.00 0.00 56.93 55.27 2ju3 s PHE 104 Cb -0.05 -2.40 0.12 0.00 -1.31 0.00 0.00 43.02 39.38 2ju3 s PHE 104 CO -0.00 -0.84 0.24 1.21 1.83 0.00 0.00 175.22 177.65 2ju3 s ASN 105 N 1.37 5.21 1.34 6.13 3.04 -0.36 -4.75 114.94 126.92 2ju3 s ASN 105 Ca -0.01 -2.20 0.00 0.00 0.04 0.00 0.00 52.86 50.69 2ju3 s ASN 105 Cb -0.20 -1.82 0.00 0.00 -1.54 0.00 0.00 41.25 37.69 2ju3 s ASN 105 CO -0.02 -0.50 0.00 0.61 -3.04 0.00 0.00 177.10 174.15 2ju3 n GLY 106 N 4.36 1.12 0.33 1.21 0.00 -1.26 -1.63 105.19 109.32 2ju3 n GLY 106 Ca -0.00 0.33 0.08 0.00 0.00 0.00 0.00 46.02 46.43 2ju3 n GLY 106 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ju3 n ASP 107 N 9.97 1.53 -4.42 1.61 9.92 -1.26 -4.97 116.55 128.93 2ju3 n ASP 107 Ca 0.00 -1.27 -0.26 0.00 -0.53 0.00 0.00 54.79 52.73 2ju3 n ASP 107 Cb 0.00 0.50 -0.11 0.00 -0.64 0.00 0.00 41.12 40.87 2ju3 n ASP 107 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2ju3 s THR 108 N -1.88 2.34 -0.03 -3.53 2.01 -0.64 -2.22 115.64 111.68 2ju3 s THR 108 Ca 0.12 -2.08 0.06 0.00 0.31 0.00 0.00 61.69 60.11 2ju3 s THR 108 Cb 0.12 -2.13 -0.02 0.00 0.01 0.00 0.00 72.50 70.48 2ju3 s THR 108 CO 0.40 -0.17 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.32 2ju3 s ILE 109 N -1.81 2.45 -0.21 1.82 1.01 0.41 -1.22 121.20 123.64 2ju3 s ILE 109 Ca 0.22 -0.95 -0.05 0.00 0.00 0.00 0.00 60.65 59.86 2ju3 s ILE 109 Cb -0.07 -1.90 -0.02 0.00 0.01 0.00 0.00 42.46 40.47 2ju3 s ILE 109 CO 0.10 0.58 0.01 -0.89 0.00 0.00 0.00 174.94 174.74 2ju3 s THR 110 N -0.63 3.92 -0.28 2.92 2.01 0.14 0.36 115.64 124.07 2ju3 s THR 110 Ca 0.10 -0.32 -0.04 0.00 0.31 0.00 0.00 61.69 61.74 2ju3 s THR 110 Cb -0.10 -2.79 0.03 0.00 0.01 0.00 0.00 72.50 69.65 2ju3 s THR 110 CO -0.00 0.41 0.02 0.20 -0.69 0.00 0.00 174.62 174.56 2ju3 s ASN 111 N 1.19 4.81 -0.26 3.53 0.02 0.41 0.90 114.94 125.54 2ju3 s ASN 111 Ca 0.03 -0.91 0.00 0.00 -1.02 0.00 0.00 52.86 50.96 2ju3 s ASN 111 Cb -0.14 -1.77 0.04 0.00 0.02 0.00 0.00 41.25 39.40 2ju3 s ASN 111 CO 0.01 -0.19 -0.08 -0.89 0.02 0.00 0.00 177.10 175.97 2ju3 s THR 112 N 1.38 2.58 -0.10 1.60 2.01 0.14 0.66 115.64 123.91 2ju3 s THR 112 Ca -0.00 -1.32 -0.04 0.00 0.31 0.00 0.00 61.69 60.64 2ju3 s THR 112 Cb -0.18 -2.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 2ju3 s THR 112 CO -0.01 0.08 0.05 -0.32 -0.69 0.00 0.00 174.62 173.73 2ju3 s MET 113 N 1.23 3.20 -0.20 4.92 1.75 0.52 0.15 119.30 130.87 2ju3 s MET 113 Ca -0.04 -0.30 0.00 0.00 -1.25 0.00 0.00 55.69 54.10 2ju3 s MET 113 Cb -0.18 -2.96 0.05 0.00 2.84 0.00 0.00 34.83 34.58 2ju3 s MET 113 CO -0.05 0.71 -0.06 0.99 -0.65 0.00 0.00 175.02 175.96 2ju3 s THR 114 N -0.87 1.37 -0.37 10.11 2.01 0.29 0.47 115.64 128.65 2ju3 s THR 114 Ca 0.13 -0.92 -0.06 0.00 0.31 0.00 0.00 61.69 61.16 2ju3 s THR 114 Cb -0.12 -1.56 0.07 0.00 0.01 0.00 0.00 72.50 70.90 2ju3 s THR 114 CO 0.03 0.05 0.16 -0.22 -0.69 0.00 0.00 174.62 173.95 2ju3 s LEU 115 N 1.50 4.74 0.00 4.42 0.20 0.48 -0.97 118.68 129.05 2ju3 s LEU 115 Ca -0.02 -1.49 0.00 0.00 0.69 0.00 0.00 54.13 53.31 2ju3 s LEU 115 Cb -0.17 -1.87 0.00 0.00 -0.43 0.00 0.00 46.19 43.72 2ju3 s LEU 115 CO -0.07 -0.44 0.00 0.61 -0.29 0.00 0.00 176.35 176.16 2ju3 n GLY 116 N 4.76 0.49 0.09 7.98 0.00 -1.26 -0.20 105.19 117.06 2ju3 n GLY 116 Ca -0.09 0.67 -0.10 0.00 0.00 0.00 0.00 46.02 46.50 2ju3 n GLY 116 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ju3 n ASP 117 N 4.12 0.39 -4.71 1.61 2.03 -1.26 -4.91 116.55 113.81 2ju3 n ASP 117 Ca 0.00 0.16 -0.42 0.00 0.52 0.00 0.00 54.79 55.05 2ju3 n ASP 117 Cb 0.00 0.55 -0.03 0.00 -0.72 0.00 0.00 41.12 40.92 2ju3 n ASP 117 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2ju3 s ILE 118 N -2.53 4.82 -0.04 5.18 -4.36 0.72 -5.04 121.20 119.94 2ju3 s ILE 118 Ca -0.09 2.04 0.02 0.00 -0.26 0.00 0.00 60.65 62.36 2ju3 s ILE 118 Cb 0.07 -4.31 -0.03 0.00 1.25 0.00 0.00 42.46 39.44 2ju3 s ILE 118 CO 0.82 0.19 -0.07 0.54 0.24 0.00 0.00 174.94 176.66 2ju3 s VAL 119 N 0.85 3.67 -0.01 8.37 0.11 -1.26 -0.39 120.40 131.75 2ju3 s VAL 119 Ca 0.51 -0.59 0.01 0.00 -2.93 0.00 0.00 61.98 58.98 2ju3 s VAL 119 Cb -0.21 -2.53 0.00 0.00 -1.53 0.00 0.00 36.38 32.11 2ju3 s VAL 119 CO 0.28 0.53 -0.04 -0.47 -3.33 0.00 0.00 175.10 172.07 2ju3 s TYR 120 N -0.87 0.40 0.02 1.54 5.04 0.18 -4.70 117.35 118.95 2ju3 s TYR 120 Ca 0.14 -0.07 0.03 0.00 -2.44 0.00 0.00 57.07 54.73 2ju3 s TYR 120 Cb -0.11 -0.31 -0.02 0.00 0.35 0.00 0.00 41.96 41.88 2ju3 s TYR 120 CO 0.04 -0.04 -0.09 0.21 -1.34 0.00 0.00 175.55 174.32 2ju3 s LYS 121 N 0.17 0.64 0.01 4.97 2.36 -0.56 0.20 119.74 127.53 2ju3 s LYS 121 Ca -0.01 -0.53 0.01 0.00 -2.55 0.00 0.00 55.97 52.89 2ju3 s LYS 121 Cb -0.05 -0.57 -0.01 0.00 -1.05 0.00 0.00 37.83 36.15 2ju3 s LYS 121 CO -0.00 0.14 -0.04 1.03 1.55 0.00 0.00 175.35 178.02 2ju3 s ARG 122 N -0.84 0.34 -0.21 4.03 0.52 0.21 0.64 118.95 123.64 2ju3 s ARG 122 Ca -0.01 -0.37 0.01 0.00 -0.52 0.00 0.00 55.73 54.84 2ju3 s ARG 122 Cb -0.06 -0.20 0.03 0.00 0.52 0.00 0.00 34.95 35.24 2ju3 s ARG 122 CO 0.00 0.04 -0.15 0.08 0.02 0.00 0.00 175.30 175.30 2ju3 s VAL 123 N -0.66 2.24 -0.23 3.52 1.01 0.44 0.16 120.40 126.88 2ju3 s VAL 123 Ca -0.05 -1.15 -0.09 0.00 0.00 0.00 0.00 61.98 60.69 2ju3 s VAL 123 Cb -0.05 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 2ju3 s VAL 123 CO -0.00 0.32 0.13 -0.44 0.00 0.00 0.00 175.10 175.11 2ju3 s SER 124 N 1.24 5.84 0.06 3.32 0.01 0.16 0.48 113.70 124.82 2ju3 s SER 124 Ca 0.00 0.05 0.08 0.00 1.31 0.00 0.00 55.95 57.38 2ju3 s SER 124 Cb -0.16 -2.05 -0.03 0.00 0.21 0.00 0.00 66.02 63.99 2ju3 s SER 124 CO -0.09 0.07 -0.18 -0.75 0.41 0.00 0.00 173.24 172.70 2ju3 s LYS 125 N 1.03 2.00 0.28 12.44 2.36 -0.25 0.16 119.74 137.76 2ju3 s LYS 125 Ca 0.06 -1.03 -0.30 0.00 -2.55 0.00 0.00 55.97 52.15 2ju3 s LYS 125 Cb -0.14 -2.17 -0.12 0.00 -1.05 0.00 0.00 37.83 34.35 2ju3 s LYS 125 CO 0.04 0.52 1.55 0.54 1.55 0.00 0.00 175.35 179.55 2ju3 n ARG 126 N 1.33 2.55 0.00 4.03 1.74 -0.94 -0.92 116.66 124.45 2ju3 n ARG 126 Ca -0.16 0.91 0.12 0.00 -0.77 0.00 0.00 57.85 57.95 2ju3 n ARG 126 Cb 0.52 -2.66 0.18 0.00 -1.02 0.00 0.00 32.46 29.48 2ju3 n ARG 126 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55