#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 6.47 -0.09 7.83 4.22 -1.26 -4.88 114.94 127.23 2ju3 s ASN 2 Ca 0.00 -2.77 -0.13 0.00 -2.14 0.00 0.00 52.86 47.83 2ju3 s ASN 2 Cb 0.00 -2.14 -0.10 0.00 1.28 0.00 0.00 41.25 40.30 2ju3 s ASN 2 CO 0.00 -0.52 0.43 0.15 -2.04 0.00 0.00 177.10 175.12 2ju3 h PHE 3 N 7.57 -0.12 -4.74 1.54 3.04 -1.92 -3.49 116.94 118.83 2ju3 h PHE 3 Ca 0.09 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.04 2ju3 h PHE 3 Cb 1.02 0.04 -0.02 0.00 2.56 0.00 0.00 35.95 39.54 2ju3 h PHE 3 CO 0.97 0.20 -0.76 -1.13 -2.02 0.00 0.00 178.31 175.57 2ju3 n SER 4 N -4.83 -5.37 0.00 0.41 3.41 -1.24 -4.96 113.62 101.04 2ju3 n SER 4 Ca -0.05 1.49 0.00 0.00 -0.26 0.00 0.00 58.87 60.05 2ju3 n SER 4 Cb 0.18 -3.98 0.00 0.00 -0.26 0.00 0.00 64.21 60.16 2ju3 n SER 4 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ju3 n GLY 5 N 1.94 -1.47 3.81 5.00 0.00 0.11 -4.91 105.19 109.67 2ju3 n GLY 5 Ca -0.08 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.17 4.23 -0.13 1.61 2.47 -1.26 0.42 119.74 125.91 2ju3 s LYS 6 Ca 0.00 0.76 -0.00 0.00 -1.56 0.00 0.00 55.97 55.17 2ju3 s LYS 6 Cb 0.00 -3.25 0.02 0.00 -1.46 0.00 0.00 37.83 33.15 2ju3 s LYS 6 CO 0.00 0.62 -0.10 0.71 0.16 0.00 0.00 175.35 176.74 2ju3 s TYR 7 N -1.05 1.72 -0.27 4.03 1.51 0.43 -2.77 117.35 120.95 2ju3 s TYR 7 Ca 0.29 -0.92 -0.15 0.00 -1.01 0.00 0.00 57.07 55.29 2ju3 s TYR 7 Cb -0.20 -1.36 -0.04 0.00 -0.11 0.00 0.00 41.96 40.26 2ju3 s TYR 7 CO 0.19 -0.57 0.36 -1.14 -1.11 0.00 0.00 175.55 173.29 2ju3 s GLN 8 N 1.63 4.00 0.23 -0.62 -0.44 0.26 -0.82 119.66 123.90 2ju3 s GLN 8 Ca 0.05 0.01 -0.31 0.00 -2.50 0.00 0.00 55.36 52.61 2ju3 s GLN 8 Cb -0.13 -3.66 -0.11 0.00 -1.64 0.00 0.00 33.01 27.48 2ju3 s GLN 8 CO -0.09 -0.28 1.54 0.08 0.50 0.00 0.00 175.29 177.03 2ju3 s VAL 9 N 2.06 2.44 -0.06 1.34 1.01 -1.23 -0.07 120.40 125.89 2ju3 s VAL 9 Ca 0.14 0.35 -0.10 0.00 0.00 0.00 0.00 61.98 62.38 2ju3 s VAL 9 Cb -0.16 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 2ju3 s VAL 9 CO 0.10 0.05 -0.19 0.00 0.00 0.00 0.00 175.10 175.06 2ju3 n GLN 10 N 2.86 0.28 -4.02 2.72 1.13 0.22 -4.84 117.38 115.74 2ju3 n GLN 10 Ca 0.10 0.11 -0.28 0.00 -1.94 0.00 0.00 57.00 54.98 2ju3 n GLN 10 Cb 0.39 -0.97 -0.05 0.00 0.11 0.00 0.00 30.24 29.71 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 -5.80 5.82 0.09 1.08 0.01 -0.84 -4.93 113.70 109.13 2ju3 s SER 11 Ca -0.15 0.04 -0.15 0.00 1.31 0.00 0.00 55.95 56.99 2ju3 s SER 11 Cb 0.02 -1.64 0.03 0.00 0.21 0.00 0.00 66.02 64.64 2ju3 s SER 11 CO 0.23 0.12 0.36 -1.10 0.41 0.00 0.00 173.24 173.25 2ju3 s GLN 12 N -2.79 0.96 0.07 12.44 -0.21 -1.26 0.19 119.66 129.06 2ju3 s GLN 12 Ca 0.32 -0.62 -0.00 0.00 0.02 0.00 0.00 55.36 55.07 2ju3 s GLN 12 Cb -0.11 0.42 -0.04 0.00 1.00 0.00 0.00 33.01 34.27 2ju3 s GLN 12 CO 0.25 -0.34 -0.03 -1.83 -2.12 0.00 0.00 175.29 171.21 2ju3 s GLU 13 N -3.27 0.70 -1.18 2.91 -1.05 -0.27 -4.82 118.70 111.72 2ju3 s GLU 13 Ca -0.00 -1.27 -0.02 0.00 -0.15 0.00 0.00 54.97 53.52 2ju3 s GLU 13 Cb 0.01 0.08 0.02 0.00 -0.44 0.00 0.00 34.13 33.80 2ju3 s GLU 13 CO -0.08 -0.09 0.16 0.09 0.95 0.00 0.00 175.26 176.29 2ju3 n ASN 14 N 0.05 -4.15 -0.06 0.83 4.13 -1.26 -1.42 115.26 113.39 2ju3 n ASN 14 Ca -0.13 0.01 -0.15 0.00 1.68 0.00 0.00 54.58 55.99 2ju3 n ASN 14 Cb 0.61 -3.48 -0.06 0.00 -1.54 0.00 0.00 39.78 35.31 2ju3 n ASN 14 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 2ju3 h PHE 15 N -0.34 0.93 0.94 3.10 3.04 -1.87 -2.97 116.94 119.76 2ju3 h PHE 15 Ca -0.35 -0.36 -0.05 0.00 3.98 0.00 0.00 57.97 61.20 2ju3 h PHE 15 Cb 1.25 -0.16 0.01 0.00 2.56 0.00 0.00 35.95 39.61 2ju3 h PHE 15 CO 0.67 1.15 -0.46 0.93 -2.02 0.00 0.00 178.31 178.59 2ju3 h GLU 16 N 0.44 -1.22 -0.28 1.11 5.08 -1.91 -1.93 114.58 115.87 2ju3 h GLU 16 Ca -0.01 0.08 0.08 0.00 -1.00 0.00 0.00 59.36 58.52 2ju3 h GLU 16 Cb 1.14 0.28 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 2ju3 h GLU 16 CO 0.11 -0.82 0.23 -1.00 -1.00 0.00 0.00 179.01 176.54 2ju3 h PRO 17 N -1.27 0.00 0.05 2.33 0.13 -1.95 1.81 132.00 133.10 2ju3 h PRO 17 Ca -0.13 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2ju3 h PRO 17 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2ju3 h PRO 17 CO 0.21 0.00 -0.03 0.35 -0.23 0.00 0.00 178.00 178.30 2ju3 h PHE 18 N 0.00 -0.07 -0.11 1.56 3.57 -1.36 0.69 116.94 121.22 2ju3 h PHE 18 Ca 0.13 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.52 2ju3 h PHE 18 Cb 0.59 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 2ju3 h PHE 18 CO 0.00 0.42 -0.43 0.52 -2.23 0.00 0.00 178.31 176.59 2ju3 h MET 19 N -0.60 0.24 -0.30 1.11 2.86 -0.26 0.32 114.93 118.30 2ju3 h MET 19 Ca -0.01 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2ju3 h MET 19 Cb 0.52 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 2ju3 h MET 19 CO 0.01 0.63 0.19 0.87 1.06 0.00 0.00 176.91 179.67 2ju3 h LYS 20 N 0.20 0.40 0.00 1.72 1.57 0.27 0.79 116.57 121.52 2ju3 h LYS 20 Ca 0.02 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 2ju3 h LYS 20 Cb 0.84 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 2ju3 h LYS 20 CO 0.07 0.29 -0.24 0.00 -0.57 0.00 0.00 179.45 178.99 2ju3 h ALA 21 N 1.08 1.13 0.00 3.86 0.00 -0.66 0.12 119.26 124.79 2ju3 h ALA 21 Ca 0.11 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2ju3 h ALA 21 Cb -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2ju3 h ALA 21 CO -0.02 0.30 0.00 -1.33 0.00 0.00 0.00 179.25 178.20 2ju3 n MET 22 N -3.57 0.82 0.00 0.00 2.81 0.08 -4.85 117.12 112.42 2ju3 n MET 22 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2ju3 n MET 22 Cb 0.39 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 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 0.89 1.01 3.73 3.03 0.00 0.38 -5.00 105.19 109.23 2ju3 n GLY 23 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 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 4.37 0.38 0.99 2.96 0.25 -4.93 118.68 122.70 2ju3 s LEU 24 Ca 0.00 1.31 -0.25 0.00 -0.22 0.00 0.00 54.13 54.97 2ju3 s LEU 24 Cb 0.00 -3.15 -0.09 0.00 0.50 0.00 0.00 46.19 43.45 2ju3 s LEU 24 CO 0.00 -0.06 1.07 -2.16 -1.32 0.00 0.00 176.35 173.88 2ju3 s PRO 25 N 0.44 4.22 0.46 0.98 0.04 -1.26 -4.01 135.00 135.87 2ju3 s PRO 25 Ca 0.38 1.60 0.20 0.00 0.04 0.00 0.00 61.00 63.23 2ju3 s PRO 25 Cb -0.19 -2.66 1.19 0.00 0.04 0.00 0.00 34.50 32.87 2ju3 s PRO 25 CO 0.20 -0.11 1.90 1.05 0.04 0.00 0.00 177.00 180.08 2ju3 h GLU 26 N 2.72 0.28 -0.44 4.56 9.09 -1.96 0.69 114.58 129.52 2ju3 h GLU 26 Ca -0.48 -0.02 -0.09 0.00 0.05 0.00 0.00 59.36 58.82 2ju3 h GLU 26 Cb 1.22 -0.06 -0.01 0.00 -1.65 0.00 0.00 28.75 28.24 2ju3 h GLU 26 CO 0.63 0.18 -0.09 0.38 0.05 0.00 0.00 179.01 180.17 2ju3 h ASP 27 N 0.28 0.83 0.48 3.06 2.03 -1.99 0.26 116.42 121.38 2ju3 h ASP 27 Ca 0.40 -0.35 -0.18 0.00 -0.73 0.00 0.00 57.03 56.17 2ju3 h ASP 27 Cb 1.14 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 39.41 2ju3 h ASP 27 CO -0.11 0.99 -0.76 -0.07 -1.03 0.00 0.00 179.24 178.27 2ju3 h LEU 28 N 0.66 0.27 -0.29 0.15 3.38 -1.36 -3.14 115.31 114.98 2ju3 h LEU 28 Ca 0.11 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2ju3 h LEU 28 Cb 0.62 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2ju3 h LEU 28 CO 0.04 0.93 0.15 0.40 0.09 0.00 0.00 178.44 180.05 2ju3 h ILE 29 N 0.14 1.00 0.00 1.22 1.08 0.55 -1.19 117.51 120.31 2ju3 h ILE 29 Ca -0.03 -0.11 -0.01 0.00 -0.39 0.00 0.00 64.86 64.32 2ju3 h ILE 29 Cb 1.33 0.66 -0.00 0.00 -3.07 0.00 0.00 36.82 35.74 2ju3 h ILE 29 CO 0.12 0.06 -0.05 1.56 -0.69 0.00 0.00 178.15 179.15 2ju3 h GLN 30 N 0.32 0.00 0.00 2.37 1.08 -0.43 0.68 115.11 119.12 2ju3 h GLN 30 Ca 0.12 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.32 2ju3 h GLN 30 Cb 0.02 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2ju3 h GLN 30 CO -0.07 0.05 -0.00 0.87 -0.95 0.00 0.00 178.83 178.72 2ju3 h LYS 31 N 0.00 0.00 0.00 1.46 1.57 -1.40 -3.29 116.57 114.91 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 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2ju3 h LYS 31 CO 0.01 0.87 0.00 0.78 -0.57 0.00 0.00 179.45 180.53 2ju3 h GLY 32 N -1.00 0.00 1.97 3.86 0.00 -0.80 -3.24 103.07 103.86 2ju3 h GLY 32 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2ju3 h GLY 32 CO -0.00 0.00 0.01 1.70 0.00 0.00 0.00 176.54 178.25 2ju3 h LYS 33 N 0.00 0.00 0.00 4.80 3.64 0.29 0.31 116.57 125.61 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 0.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2ju3 h LYS 33 CO 0.00 0.00 -1.30 -3.47 -2.27 0.00 0.00 179.45 172.41 2ju3 n ASP 34 N -2.57 0.60 -4.74 4.20 2.03 -1.22 -4.94 116.55 109.91 2ju3 n ASP 34 Ca -0.02 -0.51 -0.40 0.00 0.52 0.00 0.00 54.79 54.37 2ju3 n ASP 34 Cb 0.06 1.25 -0.05 0.00 -0.72 0.00 0.00 41.12 41.66 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 -3.20 4.28 0.00 5.18 1.09 0.09 -4.89 121.20 123.76 2ju3 s ILE 35 Ca 0.02 2.04 0.00 0.00 -1.10 0.00 0.00 60.65 61.62 2ju3 s ILE 35 Cb 0.15 -4.31 0.00 0.00 -1.06 0.00 0.00 42.46 37.24 2ju3 s ILE 35 CO 0.86 0.42 0.00 0.29 -0.10 0.00 0.00 174.94 176.42 2ju3 n LYS 36 N 2.07 0.01 -0.19 2.79 5.02 -1.26 -4.93 118.16 121.66 2ju3 n LYS 36 Ca -0.00 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.31 2ju3 n LYS 36 Cb 0.48 -0.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.98 2ju3 n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ju3 n GLY 37 N 0.73 -2.07 3.62 0.72 0.00 -1.24 -4.70 105.19 102.24 2ju3 n GLY 37 Ca 0.00 -1.44 -0.34 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.22 4.50 0.10 1.61 1.01 -1.25 -3.54 120.40 120.61 2ju3 s VAL 38 Ca 0.00 -0.15 0.07 0.00 0.00 0.00 0.00 61.98 61.91 2ju3 s VAL 38 Cb 0.00 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 2ju3 s VAL 38 CO 0.00 0.50 -0.13 -0.44 0.00 0.00 0.00 175.10 175.03 2ju3 s SER 39 N 0.08 4.21 -0.06 3.32 0.01 0.00 -2.31 113.70 118.96 2ju3 s SER 39 Ca 0.03 -0.43 0.01 0.00 1.31 0.00 0.00 55.95 56.88 2ju3 s SER 39 Cb -0.13 -0.74 0.02 0.00 0.21 0.00 0.00 66.02 65.38 2ju3 s SER 39 CO 0.01 0.19 -0.09 -0.70 0.41 0.00 0.00 173.24 173.06 2ju3 s GLU 40 N -2.11 1.36 -0.19 12.44 2.12 0.68 0.16 118.70 133.17 2ju3 s GLU 40 Ca 0.20 -0.28 0.01 0.00 0.36 0.00 0.00 54.97 55.25 2ju3 s GLU 40 Cb -0.11 -1.22 0.04 0.00 0.26 0.00 0.00 34.13 33.10 2ju3 s GLU 40 CO 0.12 -0.05 -0.10 0.42 -0.54 0.00 0.00 175.26 175.11 2ju3 s ILE 41 N 0.89 1.56 -0.27 -3.70 -1.09 0.17 -0.41 121.20 118.34 2ju3 s ILE 41 Ca -0.11 -0.90 -0.01 0.00 -2.23 0.00 0.00 60.65 57.40 2ju3 s ILE 41 Cb -0.15 -1.62 0.04 0.00 -1.58 0.00 0.00 42.46 39.15 2ju3 s ILE 41 CO 0.01 0.21 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.20 2ju3 s VAL 42 N 1.44 2.83 -0.34 2.92 1.01 -0.24 0.07 120.40 128.09 2ju3 s VAL 42 Ca -0.00 -1.28 -0.11 0.00 0.00 0.00 0.00 61.98 60.59 2ju3 s VAL 42 Cb -0.16 -2.56 -0.00 0.00 0.00 0.00 0.00 36.38 33.67 2ju3 s VAL 42 CO -0.08 0.02 0.20 -2.28 0.00 0.00 0.00 175.10 172.95 2ju3 s HIS 43 N 1.26 3.21 -0.32 5.22 5.04 -1.26 0.13 115.29 128.57 2ju3 s HIS 43 Ca -0.04 -0.57 0.01 0.00 -1.54 0.00 0.00 55.06 52.92 2ju3 s HIS 43 Cb -0.19 -2.42 0.08 0.00 0.04 0.00 0.00 32.58 30.10 2ju3 s HIS 43 CO -0.03 -0.48 0.02 -2.00 -2.34 0.00 0.00 174.74 169.91 2ju3 s GLU 44 N 1.63 2.01 3.99 2.88 2.12 0.19 -4.75 118.70 126.77 2ju3 s GLU 44 Ca 0.04 -1.58 0.00 0.00 0.36 0.00 0.00 54.97 53.79 2ju3 s GLU 44 Cb -0.18 -3.19 0.00 0.00 0.26 0.00 0.00 34.13 31.03 2ju3 s GLU 44 CO 0.08 -0.79 0.00 0.41 -0.54 0.00 0.00 175.26 174.42 2ju3 n GLY 45 N 4.45 0.83 0.13 -1.50 0.00 -1.26 -1.63 105.19 106.22 2ju3 n GLY 45 Ca -0.06 0.43 -0.25 0.00 0.00 0.00 0.00 46.02 46.14 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 0.62 -2.35 1.61 4.01 -1.26 -4.96 118.16 115.83 2ju3 n LYS 46 Ca 0.00 0.22 -0.41 0.00 -0.51 0.00 0.00 58.31 57.61 2ju3 n LYS 46 Cb 0.00 -1.51 -0.03 0.00 -0.51 0.00 0.00 35.03 32.97 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 -2.51 4.49 -0.11 1.97 1.02 -0.64 -1.72 119.74 122.24 2ju3 s LYS 47 Ca -0.37 1.90 0.02 0.00 0.02 0.00 0.00 55.97 57.55 2ju3 s LYS 47 Cb 0.12 -3.22 0.01 0.00 -0.52 0.00 0.00 37.83 34.22 2ju3 s LYS 47 CO 0.54 -0.09 -0.18 0.08 -0.92 0.00 0.00 175.35 174.79 2ju3 s VAL 48 N -0.17 1.65 -0.08 3.17 1.01 0.20 0.57 120.40 126.75 2ju3 s VAL 48 Ca 0.52 -0.75 -0.20 0.00 0.00 0.00 0.00 61.98 61.56 2ju3 s VAL 48 Cb -0.33 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 2ju3 s VAL 48 CO 0.38 0.47 0.56 -0.54 0.00 0.00 0.00 175.10 175.96 2ju3 s LYS 49 N 0.81 4.35 -0.09 2.72 1.02 0.35 -1.98 119.74 126.92 2ju3 s LYS 49 Ca -0.10 0.62 0.03 0.00 0.02 0.00 0.00 55.97 56.54 2ju3 s LYS 49 Cb -0.16 -3.41 -0.01 0.00 -0.52 0.00 0.00 37.83 33.73 2ju3 s LYS 49 CO 0.01 0.19 -0.19 -1.17 -0.92 0.00 0.00 175.35 173.27 2ju3 s LEU 50 N 0.45 2.39 -0.17 3.17 1.98 0.14 -1.07 118.68 125.57 2ju3 s LEU 50 Ca 0.30 -0.41 0.00 0.00 -2.89 0.00 0.00 54.13 51.13 2ju3 s LEU 50 Cb -0.16 -1.49 0.04 0.00 0.66 0.00 0.00 46.19 45.24 2ju3 s LEU 50 CO 0.14 0.22 -0.10 -0.89 -1.89 0.00 0.00 176.35 173.83 2ju3 s THR 51 N 0.00 1.46 -0.12 3.68 2.01 0.45 -1.94 115.64 121.17 2ju3 s THR 51 Ca -0.06 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.15 2ju3 s THR 51 Cb -0.15 -1.52 0.02 0.00 0.01 0.00 0.00 72.50 70.87 2ju3 s THR 51 CO 0.05 0.24 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.48 2ju3 s ILE 52 N 1.49 1.27 -0.25 1.82 1.09 -0.57 -0.23 121.20 125.83 2ju3 s ILE 52 Ca 0.01 -0.46 -0.09 0.00 -1.10 0.00 0.00 60.65 59.01 2ju3 s ILE 52 Cb -0.15 -1.23 -0.04 0.00 -1.06 0.00 0.00 42.46 39.98 2ju3 s ILE 52 CO -0.09 0.41 0.11 -0.89 -0.10 0.00 0.00 174.94 174.38 2ju3 s THR 53 N 1.48 4.74 -0.61 2.92 2.01 -0.98 0.12 115.64 125.33 2ju3 s THR 53 Ca 0.02 -0.03 -0.14 0.00 0.31 0.00 0.00 61.69 61.86 2ju3 s THR 53 Cb -0.13 -3.22 0.15 0.00 0.01 0.00 0.00 72.50 69.31 2ju3 s THR 53 CO -0.08 0.32 0.54 -0.31 -0.69 0.00 0.00 174.62 174.41 2ju3 s TYR 54 N 1.50 3.43 0.00 4.92 2.02 0.15 -3.70 117.35 125.67 2ju3 s TYR 54 Ca 0.06 -1.66 0.00 0.00 -0.37 0.00 0.00 57.07 55.10 2ju3 s TYR 54 Cb -0.15 -3.72 0.00 0.00 -0.40 0.00 0.00 41.96 37.69 2ju3 s TYR 54 CO 0.06 -1.00 0.00 0.41 -1.57 0.00 0.00 175.55 173.45 2ju3 n GLY 55 N 4.74 0.77 0.00 0.71 0.00 -1.26 -2.71 105.19 107.44 2ju3 n GLY 55 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 1.90 0.78 -4.85 1.61 3.41 -1.26 -4.86 113.62 110.34 2ju3 n SER 56 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 2ju3 n SER 56 Cb 0.00 0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 2ju3 n SER 56 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2ju3 s LYS 57 N -1.19 3.99 -0.02 4.33 2.47 -1.10 -5.03 119.74 123.19 2ju3 s LYS 57 Ca 0.00 0.73 0.07 0.00 -1.56 0.00 0.00 55.97 55.20 2ju3 s LYS 57 Cb 0.00 -2.35 -0.02 0.00 -1.46 0.00 0.00 37.83 34.00 2ju3 s LYS 57 CO 0.00 0.05 -0.22 0.08 0.16 0.00 0.00 175.35 175.42 2ju3 s VAL 58 N -2.15 1.72 -0.08 4.02 1.01 -1.26 0.31 120.40 123.97 2ju3 s VAL 58 Ca 0.55 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.61 2ju3 s VAL 58 Cb -0.10 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 2ju3 s VAL 58 CO 0.21 0.49 -0.07 -0.63 0.00 0.00 0.00 175.10 175.09 2ju3 s ILE 59 N -0.47 3.67 -0.17 2.22 1.01 0.12 -4.96 121.20 122.63 2ju3 s ILE 59 Ca 0.07 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.25 2ju3 s ILE 59 Cb -0.09 -2.51 0.01 0.00 0.01 0.00 0.00 42.46 39.88 2ju3 s ILE 59 CO -0.00 0.58 -0.18 -1.00 0.00 0.00 0.00 174.94 174.34 2ju3 s HIS 60 N -0.62 2.76 -0.08 3.97 3.76 -1.26 -1.51 115.29 122.31 2ju3 s HIS 60 Ca 0.09 -1.37 -0.13 0.00 -0.15 0.00 0.00 55.06 53.50 2ju3 s HIS 60 Cb -0.12 -1.90 0.03 0.00 1.11 0.00 0.00 32.58 31.71 2ju3 s HIS 60 CO 0.02 -0.66 0.33 0.54 -0.85 0.00 0.00 174.74 174.12 2ju3 s ASN 61 N 1.07 -0.29 -0.01 1.40 2.20 -0.82 -4.67 114.94 113.82 2ju3 s ASN 61 Ca -0.01 0.45 0.06 0.00 -0.94 0.00 0.00 52.86 52.42 2ju3 s ASN 61 Cb -0.14 0.54 -0.02 0.00 -2.00 0.00 0.00 41.25 39.64 2ju3 s ASN 61 CO -0.06 -0.25 -0.20 -0.70 -2.94 0.00 0.00 177.10 172.95 2ju3 s GLU 62 N -0.42 1.58 0.01 3.55 2.12 -1.26 0.27 118.70 124.56 2ju3 s GLU 62 Ca -0.05 -0.73 -0.02 0.00 0.36 0.00 0.00 54.97 54.53 2ju3 s GLU 62 Cb -0.04 -1.54 -0.01 0.00 0.26 0.00 0.00 34.13 32.80 2ju3 s GLU 62 CO 0.02 0.42 0.02 -0.59 -0.54 0.00 0.00 175.26 174.59 2ju3 s PHE 63 N -0.49 0.19 -0.13 5.30 -0.12 -0.84 -4.68 117.98 117.22 2ju3 s PHE 63 Ca 0.08 -0.41 -0.04 0.00 -0.05 0.00 0.00 56.93 56.51 2ju3 s PHE 63 Cb -0.08 -0.15 -0.03 0.00 -0.63 0.00 0.00 43.02 42.13 2ju3 s PHE 63 CO -0.01 -0.21 0.01 0.99 -0.05 0.00 0.00 175.22 175.96 2ju3 s THR 64 N -1.39 4.38 -0.05 -4.49 2.01 -1.26 0.62 115.64 115.46 2ju3 s THR 64 Ca -0.15 -0.20 -0.30 0.00 0.31 0.00 0.00 61.69 61.35 2ju3 s THR 64 Cb -0.09 -2.90 -0.05 0.00 0.01 0.00 0.00 72.50 69.47 2ju3 s THR 64 CO -0.00 0.54 1.57 -0.76 -0.69 0.00 0.00 174.62 175.28 2ju3 s LEU 65 N -0.24 4.31 0.00 4.42 2.01 -0.70 -2.41 118.68 126.06 2ju3 s LEU 65 Ca 0.06 2.17 0.00 0.00 0.01 0.00 0.00 54.13 56.37 2ju3 s LEU 65 Cb -0.12 -3.54 0.00 0.00 0.01 0.00 0.00 46.19 42.54 2ju3 s LEU 65 CO 0.02 -0.88 0.00 0.61 1.01 0.00 0.00 176.35 177.11 2ju3 n GLY 66 N 3.99 0.31 3.20 -3.19 0.00 -0.09 -4.87 105.19 104.54 2ju3 n GLY 66 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.83 1.09 -0.06 1.61 2.12 -1.01 -5.00 118.70 116.62 2ju3 s GLU 67 Ca 0.00 -0.89 -0.30 0.00 0.36 0.00 0.00 54.97 54.15 2ju3 s GLU 67 Cb 0.00 -1.16 -0.05 0.00 0.26 0.00 0.00 34.13 33.18 2ju3 s GLU 67 CO 0.00 0.29 1.55 -2.00 -0.54 0.00 0.00 175.26 174.55 2ju3 s GLU 68 N -1.31 4.21 0.12 4.30 -6.30 -1.26 -4.19 118.70 114.27 2ju3 s GLU 68 Ca 0.04 2.07 0.04 0.00 -2.50 0.00 0.00 54.97 54.62 2ju3 s GLU 68 Cb -0.09 -3.86 -0.04 0.00 0.00 0.00 0.00 34.13 30.14 2ju3 s GLU 68 CO 0.02 -0.78 -0.10 0.00 0.02 0.00 0.00 175.26 174.43 2ju3 s GLU 70 N -3.44 3.08 -0.23 0.00 2.02 -1.26 0.11 118.70 118.98 2ju3 s GLU 70 Ca 0.12 -0.46 -0.08 0.00 0.02 0.00 0.00 54.97 54.58 2ju3 s GLU 70 Cb 0.01 -2.87 -0.04 0.00 0.10 0.00 0.00 34.13 31.33 2ju3 s GLU 70 CO -0.00 0.66 0.10 -1.17 0.02 0.00 0.00 175.26 174.87 2ju3 s LEU 71 N -1.61 3.76 -0.22 1.80 1.98 0.26 -4.71 118.68 119.94 2ju3 s LEU 71 Ca 0.21 -0.03 -0.11 0.00 -2.89 0.00 0.00 54.13 51.32 2ju3 s LEU 71 Cb -0.12 -1.99 -0.05 0.00 0.66 0.00 0.00 46.19 44.69 2ju3 s LEU 71 CO 0.12 0.05 0.16 -0.70 -1.89 0.00 0.00 176.35 174.10 2ju3 s GLU 72 N 1.11 4.12 0.69 1.98 2.12 -1.26 -0.06 118.70 127.40 2ju3 s GLU 72 Ca 0.05 -0.22 -0.02 0.00 0.36 0.00 0.00 54.97 55.14 2ju3 s GLU 72 Cb -0.14 -3.49 0.10 0.00 0.26 0.00 0.00 34.13 30.85 2ju3 s GLU 72 CO 0.04 0.14 0.96 0.95 -0.54 0.00 0.00 175.26 176.82 2ju3 s THR 73 N 0.81 2.27 -1.77 -1.70 -4.23 -0.77 -4.74 115.64 105.51 2ju3 s THR 73 Ca 0.08 -0.54 0.20 0.00 -1.18 0.00 0.00 61.69 60.26 2ju3 s THR 73 Cb -0.13 -2.74 0.48 0.00 1.34 0.00 0.00 72.50 71.45 2ju3 s THR 73 CO 0.02 0.00 1.59 0.80 -0.54 0.00 0.00 174.62 176.49 2ju3 n MET 74 N -2.78 0.48 0.04 3.99 1.56 -1.26 -2.07 117.12 117.08 2ju3 n MET 74 Ca 0.12 0.04 0.11 0.00 -0.27 0.00 0.00 57.70 57.71 2ju3 n MET 74 Cb 0.60 -1.50 -0.03 0.00 2.15 0.00 0.00 33.22 34.44 2ju3 n MET 74 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 2ju3 n THR 75 N -1.12 0.24 0.00 1.12 -2.24 -1.26 -4.95 114.28 106.08 2ju3 n THR 75 Ca 0.13 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2ju3 n THR 75 Cb 0.10 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 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 1.30 3.26 3.65 3.38 0.00 -0.88 -5.04 105.19 110.86 2ju3 n GLY 76 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.78 4.09 -0.21 1.61 8.01 -1.26 -4.74 118.70 125.42 2ju3 s GLU 77 Ca 0.00 1.63 -0.05 0.00 0.01 0.00 0.00 54.97 56.56 2ju3 s GLU 77 Cb 0.00 -3.85 -0.02 0.00 -4.31 0.00 0.00 34.13 25.95 2ju3 s GLU 77 CO 0.00 -0.90 -0.02 0.21 0.01 0.00 0.00 175.26 174.56 2ju3 s LYS 78 N 3.88 3.50 -0.09 1.61 2.20 -1.26 -1.85 119.74 127.73 2ju3 s LYS 78 Ca 0.59 -0.57 0.03 0.00 -0.36 0.00 0.00 55.97 55.66 2ju3 s LYS 78 Cb -0.22 -3.06 -0.01 0.00 -1.51 0.00 0.00 37.83 33.03 2ju3 s LYS 78 CO 0.20 -0.10 -0.19 0.54 -0.36 0.00 0.00 175.35 175.44 2ju3 s VAL 79 N 1.26 2.54 0.02 4.02 0.11 0.91 -4.73 120.40 124.53 2ju3 s VAL 79 Ca 0.03 -0.87 -0.30 0.00 -2.93 0.00 0.00 61.98 57.92 2ju3 s VAL 79 Cb -0.14 -2.00 -0.08 0.00 -1.53 0.00 0.00 36.38 32.63 2ju3 s VAL 79 CO -0.00 0.55 1.81 -0.54 -3.33 0.00 0.00 175.10 173.60 2ju3 s LYS 80 N 0.08 4.16 -0.06 1.54 1.02 -1.26 0.92 119.74 126.14 2ju3 s LYS 80 Ca -0.08 2.43 -0.12 0.00 0.02 0.00 0.00 55.97 58.22 2ju3 s LYS 80 Cb -0.15 -3.99 0.02 0.00 -0.52 0.00 0.00 37.83 33.19 2ju3 s LYS 80 CO 0.05 -0.88 0.28 0.00 -0.92 0.00 0.00 175.35 173.89 2ju3 s ALA 81 N 3.96 -0.71 -0.28 5.17 0.00 0.30 -4.91 121.76 125.28 2ju3 s ALA 81 Ca 0.81 0.52 -0.09 0.00 0.00 0.00 0.00 51.96 53.21 2ju3 s ALA 81 Cb -0.39 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 2ju3 s ALA 81 CO 0.36 -0.20 0.12 0.08 0.00 0.00 0.00 175.76 176.13 2ju3 s VAL 82 N -0.61 4.54 -0.19 0.00 1.01 -1.26 -2.56 120.40 121.33 2ju3 s VAL 82 Ca -0.07 -0.28 -0.05 0.00 0.00 0.00 0.00 61.98 61.58 2ju3 s VAL 82 Cb -0.04 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 2ju3 s VAL 82 CO 0.02 0.19 -0.00 0.54 0.00 0.00 0.00 175.10 175.84 2ju3 s VAL 83 N 1.62 4.00 0.15 2.92 0.11 -1.26 -4.56 120.40 123.39 2ju3 s VAL 83 Ca 0.05 -0.30 -0.05 0.00 -2.93 0.00 0.00 61.98 58.75 2ju3 s VAL 83 Cb -0.16 -2.80 -0.03 0.00 -1.53 0.00 0.00 36.38 31.87 2ju3 s VAL 83 CO 0.06 0.44 0.17 -0.75 -3.33 0.00 0.00 175.10 171.69 2ju3 s LYS 84 N 0.82 1.05 -0.52 1.54 2.20 -1.14 -0.91 119.74 122.77 2ju3 s LYS 84 Ca 0.00 -1.33 -0.29 0.00 -0.36 0.00 0.00 55.97 54.00 2ju3 s LYS 84 Cb -0.14 0.31 0.03 0.00 -1.51 0.00 0.00 37.83 36.51 2ju3 s LYS 84 CO 0.02 -0.34 1.18 -1.64 -0.36 0.00 0.00 175.35 174.20 2ju3 s MET 85 N -4.02 3.62 0.03 4.03 -1.94 -1.26 -0.30 119.30 119.46 2ju3 s MET 85 Ca 0.22 0.43 0.07 0.00 -1.71 0.00 0.00 55.69 54.70 2ju3 s MET 85 Cb 0.05 -3.96 -0.02 0.00 2.01 0.00 0.00 34.83 32.91 2ju3 s MET 85 CO 0.02 -1.53 -0.20 -2.00 -0.01 0.00 0.00 175.02 171.29 2ju3 s GLU 86 N 4.72 1.38 0.00 2.03 2.12 0.26 -4.51 118.70 124.70 2ju3 s GLU 86 Ca 0.46 -0.88 0.00 0.00 0.36 0.00 0.00 54.97 54.91 2ju3 s GLU 86 Cb -0.07 -1.46 0.00 0.00 0.26 0.00 0.00 34.13 32.86 2ju3 s GLU 86 CO 0.29 0.38 0.00 0.41 -0.54 0.00 0.00 175.26 175.80 2ju3 n GLY 87 N 1.98 0.68 4.04 -1.50 0.00 -1.26 -3.97 105.19 105.16 2ju3 n GLY 87 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 0.00 -0.08 1.61 -0.08 -1.26 -4.38 116.55 112.36 2ju3 n ASP 88 Ca 0.00 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.20 2ju3 n ASP 88 Cb 0.00 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.34 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 1.46 1.29 -3.04 1.67 3.02 -1.26 -4.99 115.26 113.42 2ju3 n ASN 89 Ca 0.00 -0.01 -0.15 0.00 -0.03 0.00 0.00 54.58 54.39 2ju3 n ASN 89 Cb 0.00 0.77 -0.04 0.00 -0.61 0.00 0.00 39.78 39.91 2ju3 n ASN 89 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2ju3 n LYS 90 N -2.62 0.68 -3.95 3.52 4.81 -1.00 -2.91 118.16 116.68 2ju3 n LYS 90 Ca -0.26 -2.88 -0.29 0.00 -0.87 0.00 0.00 58.31 54.00 2ju3 n LYS 90 Cb 0.99 2.72 -0.04 0.00 0.02 0.00 0.00 35.03 38.73 2ju3 n LYS 90 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 2ju3 s MET 91 N -2.86 3.36 -0.11 1.64 -1.94 -1.14 -0.58 119.30 117.67 2ju3 s MET 91 Ca 0.30 -0.53 -0.02 0.00 -1.71 0.00 0.00 55.69 53.74 2ju3 s MET 91 Cb -0.01 -2.97 -0.03 0.00 2.01 0.00 0.00 34.83 33.83 2ju3 s MET 91 CO 0.22 0.58 -0.03 0.08 -0.01 0.00 0.00 175.02 175.85 2ju3 s VAL 92 N -1.57 4.01 -0.13 -6.03 1.01 0.59 -1.89 120.40 116.39 2ju3 s VAL 92 Ca 0.34 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 2ju3 s VAL 92 Cb -0.12 -2.70 0.04 0.00 0.00 0.00 0.00 36.38 33.59 2ju3 s VAL 92 CO 0.27 0.56 -0.04 0.28 0.00 0.00 0.00 175.10 176.17 2ju3 s THR 93 N -0.37 0.88 -0.24 3.92 -1.32 0.63 -2.91 115.64 116.24 2ju3 s THR 93 Ca 0.06 -0.37 -0.13 0.00 -1.21 0.00 0.00 61.69 60.04 2ju3 s THR 93 Cb -0.12 -1.04 -0.05 0.00 -1.51 0.00 0.00 72.50 69.78 2ju3 s THR 93 CO 0.02 0.19 0.26 0.42 -2.21 0.00 0.00 174.62 173.30 2ju3 s THR 94 N 1.75 5.28 -0.03 5.08 -4.23 -1.26 -2.05 115.64 120.18 2ju3 s THR 94 Ca 0.03 0.39 -0.23 0.00 -1.18 0.00 0.00 61.69 60.69 2ju3 s THR 94 Cb -0.14 -3.60 0.05 0.00 1.34 0.00 0.00 72.50 70.15 2ju3 s THR 94 CO -0.07 0.28 0.51 0.72 -0.54 0.00 0.00 174.62 175.52 2ju3 s PHE 95 N 1.33 -0.43 -1.46 3.99 -0.71 0.05 -4.56 117.98 116.19 2ju3 s PHE 95 Ca 0.12 0.71 0.00 0.00 -1.04 0.00 0.00 56.93 56.72 2ju3 s PHE 95 Cb -0.14 0.27 0.00 0.00 -1.21 0.00 0.00 43.02 41.93 2ju3 s PHE 95 CO 0.07 -0.51 0.00 1.63 -1.34 0.00 0.00 175.22 175.06 2ju3 n LYS 96 N 1.04 -1.43 -0.59 1.99 5.02 -1.26 -0.13 118.16 122.81 2ju3 n LYS 96 Ca -0.20 0.81 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 2ju3 n LYS 96 Cb 0.57 -5.13 0.00 0.00 -0.02 0.00 0.00 35.03 30.45 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 -0.35 1.20 3.87 0.72 0.00 -1.26 -5.03 105.19 104.34 2ju3 n GLY 97 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.35 5.15 -0.14 -0.61 -5.25 0.82 -4.71 121.20 113.12 2ju3 s ILE 98 Ca 0.00 -0.43 -0.02 0.00 -0.99 0.00 0.00 60.65 59.21 2ju3 s ILE 98 Cb 0.00 -3.47 -0.02 0.00 2.95 0.00 0.00 42.46 41.91 2ju3 s ILE 98 CO 0.00 0.19 -0.07 -0.54 -1.79 0.00 0.00 174.94 172.73 2ju3 s LYS 99 N -2.30 3.47 -0.12 0.37 3.01 0.21 -0.77 119.74 123.61 2ju3 s LYS 99 Ca 0.31 -0.58 -0.01 0.00 -1.01 0.00 0.00 55.97 54.68 2ju3 s LYS 99 Cb -0.13 -2.78 0.03 0.00 -1.01 0.00 0.00 37.83 33.94 2ju3 s LYS 99 CO 0.24 0.29 -0.03 0.45 0.51 0.00 0.00 175.35 176.80 2ju3 s SER 100 N 0.21 2.22 -0.07 2.83 0.15 -0.87 0.11 113.70 118.29 2ju3 s SER 100 Ca -0.04 -0.37 -0.01 0.00 0.70 0.00 0.00 55.95 56.22 2ju3 s SER 100 Cb -0.14 -0.70 -0.03 0.00 -1.71 0.00 0.00 66.02 63.43 2ju3 s SER 100 CO 0.04 -0.18 -0.00 0.68 1.20 0.00 0.00 173.24 174.97 2ju3 s VAL 101 N 1.79 4.25 -0.01 4.45 -7.23 0.28 -0.27 120.40 123.66 2ju3 s VAL 101 Ca 0.03 -0.32 0.05 0.00 -1.81 0.00 0.00 61.98 59.93 2ju3 s VAL 101 Cb -0.14 -2.80 -0.01 0.00 0.56 0.00 0.00 36.38 33.99 2ju3 s VAL 101 CO -0.07 0.57 -0.16 -0.89 -0.31 0.00 0.00 175.10 174.24 2ju3 s THR 102 N -0.91 1.27 -0.04 5.32 2.01 -0.79 0.63 115.64 123.13 2ju3 s THR 102 Ca 0.14 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.49 2ju3 s THR 102 Cb -0.11 -1.06 0.00 0.00 0.01 0.00 0.00 72.50 71.34 2ju3 s THR 102 CO 0.04 0.36 -0.13 -0.70 -0.69 0.00 0.00 174.62 173.49 2ju3 s GLU 103 N -0.36 1.42 -0.44 4.92 2.12 0.23 -2.38 118.70 124.20 2ju3 s GLU 103 Ca 0.06 -0.46 -0.15 0.00 0.36 0.00 0.00 54.97 54.78 2ju3 s GLU 103 Cb -0.06 -1.26 0.05 0.00 0.26 0.00 0.00 34.13 33.12 2ju3 s GLU 103 CO -0.01 0.17 0.34 0.12 -0.54 0.00 0.00 175.26 175.34 2ju3 s PHE 104 N 0.17 3.25 -0.43 5.30 2.19 -1.15 -0.02 117.98 127.30 2ju3 s PHE 104 Ca -0.05 -0.87 -0.00 0.00 0.33 0.00 0.00 56.93 56.34 2ju3 s PHE 104 Cb -0.11 -2.93 0.12 0.00 -1.31 0.00 0.00 43.02 38.79 2ju3 s PHE 104 CO 0.02 -0.73 0.20 -0.80 1.83 0.00 0.00 175.22 175.74 2ju3 s ASN 105 N 2.22 5.05 0.98 6.13 -0.87 0.87 -4.76 114.94 124.55 2ju3 s ASN 105 Ca 0.04 -2.25 0.00 0.00 -1.57 0.00 0.00 52.86 49.08 2ju3 s ASN 105 Cb -0.22 -1.76 0.00 0.00 -0.02 0.00 0.00 41.25 39.24 2ju3 s ASN 105 CO 0.07 -0.45 0.00 0.61 -2.57 0.00 0.00 177.10 174.76 2ju3 n GLY 106 N 4.24 0.30 0.12 0.66 0.00 -1.26 0.13 105.19 109.38 2ju3 n GLY 106 Ca 0.01 0.65 0.02 0.00 0.00 0.00 0.00 46.02 46.70 2ju3 n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ju3 n ASP 107 N 7.91 0.97 -4.84 1.61 5.75 -1.26 -5.03 116.55 121.66 2ju3 n ASP 107 Ca 0.00 -0.99 -0.23 0.00 -0.01 0.00 0.00 54.79 53.56 2ju3 n ASP 107 Cb 0.00 0.33 -0.04 0.00 -1.03 0.00 0.00 41.12 40.38 2ju3 n ASP 107 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2ju3 s THR 108 N -0.69 4.60 0.07 2.12 -4.23 0.12 -2.44 115.64 115.19 2ju3 s THR 108 Ca 0.04 -1.23 0.10 0.00 -1.18 0.00 0.00 61.69 59.42 2ju3 s THR 108 Cb 0.03 -3.44 -0.03 0.00 1.34 0.00 0.00 72.50 70.40 2ju3 s THR 108 CO 0.09 -0.27 -0.25 -0.63 -0.54 0.00 0.00 174.62 173.02 2ju3 s ILE 109 N -1.99 2.26 -0.26 2.99 1.01 0.18 -0.09 121.20 125.30 2ju3 s ILE 109 Ca 0.33 -1.48 0.02 0.00 0.00 0.00 0.00 60.65 59.52 2ju3 s ILE 109 Cb -0.09 -1.93 0.06 0.00 0.01 0.00 0.00 42.46 40.51 2ju3 s ILE 109 CO 0.25 0.28 -0.09 -0.89 0.00 0.00 0.00 174.94 174.49 2ju3 s THR 110 N -0.90 2.33 -0.28 2.92 2.01 0.98 0.99 115.64 123.68 2ju3 s THR 110 Ca 0.13 -1.54 -0.11 0.00 0.31 0.00 0.00 61.69 60.48 2ju3 s THR 110 Cb -0.10 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 2ju3 s THR 110 CO 0.04 -0.01 0.18 0.21 -0.69 0.00 0.00 174.62 174.35 2ju3 s ASN 111 N 1.14 5.88 -0.27 3.53 3.04 0.40 0.74 114.94 129.40 2ju3 s ASN 111 Ca -0.07 -0.10 -0.00 0.00 0.04 0.00 0.00 52.86 52.72 2ju3 s ASN 111 Cb -0.19 -2.09 0.05 0.00 -1.54 0.00 0.00 41.25 37.47 2ju3 s ASN 111 CO -0.05 -0.07 -0.06 -0.89 -3.04 0.00 0.00 177.10 172.99 2ju3 s THR 112 N 1.73 2.67 -0.10 -5.21 2.01 0.21 0.58 115.64 117.52 2ju3 s THR 112 Ca 0.07 -1.36 -0.05 0.00 0.31 0.00 0.00 61.69 60.65 2ju3 s THR 112 Cb -0.16 -2.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.82 2ju3 s THR 112 CO 0.10 0.01 0.09 -0.32 -0.69 0.00 0.00 174.62 173.81 2ju3 s MET 113 N 1.22 3.27 -0.13 4.92 0.00 0.43 0.10 119.30 129.11 2ju3 s MET 113 Ca -0.05 -0.24 0.00 0.00 0.00 0.00 0.00 55.69 55.40 2ju3 s MET 113 Cb -0.19 -3.04 0.02 0.00 0.00 0.00 0.00 34.83 31.62 2ju3 s MET 113 CO -0.04 0.75 -0.11 0.99 0.00 0.00 0.00 175.02 176.62 2ju3 s THR 114 N -0.98 1.28 -0.34 10.11 2.01 0.31 0.90 115.64 128.93 2ju3 s THR 114 Ca 0.15 -0.45 -0.02 0.00 0.31 0.00 0.00 61.69 61.67 2ju3 s THR 114 Cb -0.12 -1.24 0.07 0.00 0.01 0.00 0.00 72.50 71.22 2ju3 s THR 114 CO 0.04 0.41 0.08 -0.22 -0.69 0.00 0.00 174.62 174.23 2ju3 s LEU 115 N 1.58 4.43 0.00 4.42 0.20 0.83 -0.62 118.68 129.51 2ju3 s LEU 115 Ca 0.04 -1.56 0.00 0.00 0.69 0.00 0.00 54.13 53.30 2ju3 s LEU 115 Cb -0.13 -1.76 0.00 0.00 -0.43 0.00 0.00 46.19 43.88 2ju3 s LEU 115 CO -0.09 -0.37 0.00 0.61 -0.29 0.00 0.00 176.35 176.21 2ju3 n GLY 116 N 4.61 0.53 0.11 7.98 0.00 -1.26 -0.12 105.19 117.04 2ju3 n GLY 116 Ca -0.09 0.64 -0.16 0.00 0.00 0.00 0.00 46.02 46.42 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 3.47 1.52 -4.68 1.61 2.03 -1.26 -4.89 116.55 114.35 2ju3 n ASP 117 Ca 0.00 0.25 -0.43 0.00 0.52 0.00 0.00 54.79 55.14 2ju3 n ASP 117 Cb 0.00 -0.42 -0.02 0.00 -0.72 0.00 0.00 41.12 39.95 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 -2.57 4.32 -0.04 5.18 -4.36 0.83 -5.02 121.20 119.55 2ju3 s ILE 118 Ca -0.16 1.63 -0.01 0.00 -0.26 0.00 0.00 60.65 61.85 2ju3 s ILE 118 Cb 0.07 -4.05 -0.04 0.00 1.25 0.00 0.00 42.46 39.70 2ju3 s ILE 118 CO 0.78 -0.04 0.05 0.54 0.24 0.00 0.00 174.94 176.51 2ju3 s VAL 119 N 2.57 4.63 -0.01 8.37 0.11 -1.26 -0.12 120.40 134.69 2ju3 s VAL 119 Ca 0.54 -0.30 0.01 0.00 -2.93 0.00 0.00 61.98 59.30 2ju3 s VAL 119 Cb -0.23 -3.04 0.00 0.00 -1.53 0.00 0.00 36.38 31.58 2ju3 s VAL 119 CO 0.19 0.47 -0.03 -0.47 -3.33 0.00 0.00 175.10 171.93 2ju3 s TYR 120 N -1.06 0.32 0.06 1.54 5.04 0.26 -4.66 117.35 118.84 2ju3 s TYR 120 Ca 0.18 -0.06 0.04 0.00 -2.44 0.00 0.00 57.07 54.80 2ju3 s TYR 120 Cb -0.12 -0.22 -0.03 0.00 0.35 0.00 0.00 41.96 41.94 2ju3 s TYR 120 CO 0.09 -0.02 -0.11 0.21 -1.34 0.00 0.00 175.55 174.38 2ju3 s LYS 121 N 0.03 0.69 0.02 4.97 2.20 -0.50 0.16 119.74 127.31 2ju3 s LYS 121 Ca 0.00 -0.89 0.01 0.00 -0.36 0.00 0.00 55.97 54.73 2ju3 s LYS 121 Cb -0.03 -0.54 -0.02 0.00 -1.51 0.00 0.00 37.83 35.74 2ju3 s LYS 121 CO -0.00 0.11 -0.04 1.03 -0.36 0.00 0.00 175.35 176.08 2ju3 s ARG 122 N -1.82 0.34 -0.20 4.03 0.52 0.20 -1.11 118.95 120.90 2ju3 s ARG 122 Ca -0.05 -0.48 -0.00 0.00 -0.52 0.00 0.00 55.73 54.68 2ju3 s ARG 122 Cb -0.09 -0.11 0.02 0.00 0.52 0.00 0.00 34.95 35.29 2ju3 s ARG 122 CO 0.01 0.01 -0.14 0.08 0.02 0.00 0.00 175.30 175.28 2ju3 s VAL 123 N -0.98 2.43 0.10 3.52 1.01 0.50 0.15 120.40 127.13 2ju3 s VAL 123 Ca -0.09 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 2ju3 s VAL 123 Cb -0.07 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 2ju3 s VAL 123 CO -0.00 0.42 0.27 -0.44 0.00 0.00 0.00 175.10 175.35 2ju3 s SER 124 N 1.31 6.38 0.09 3.32 0.01 0.28 0.69 113.70 125.79 2ju3 s SER 124 Ca 0.03 0.33 0.07 0.00 1.31 0.00 0.00 55.95 57.70 2ju3 s SER 124 Cb -0.14 -1.98 -0.03 0.00 0.21 0.00 0.00 66.02 64.07 2ju3 s SER 124 CO -0.09 0.11 -0.19 -0.75 0.41 0.00 0.00 173.24 172.73 2ju3 s LYS 125 N -2.71 1.09 0.52 12.44 2.47 0.90 0.50 119.74 134.95 2ju3 s LYS 125 Ca 0.36 -1.08 -0.21 0.00 -1.56 0.00 0.00 55.97 53.49 2ju3 s LYS 125 Cb -0.12 -1.27 -0.06 0.00 -1.46 0.00 0.00 37.83 34.91 2ju3 s LYS 125 CO 0.27 0.30 1.14 -0.98 0.16 0.00 0.00 175.35 176.25 2ju3 s ARG 126 N -1.75 3.48 0.00 4.03 1.70 -1.02 0.90 118.95 126.28 2ju3 s ARG 126 Ca 0.05 1.67 0.00 0.00 -0.47 0.00 0.00 55.73 56.97 2ju3 s ARG 126 Cb -0.10 -2.13 0.00 0.00 -0.57 0.00 0.00 34.95 32.15 2ju3 s ARG 126 CO 0.03 -0.76 0.32 0.44 -1.08 0.00 0.00 175.30 174.25