#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 6.07 -0.74 7.83 0.01 -1.26 -4.91 114.94 121.94 2ju3 s ASN 2 Ca 0.00 -2.31 -0.01 0.00 -0.71 0.00 0.00 52.86 49.82 2ju3 s ASN 2 Cb 0.00 -2.09 0.40 0.00 0.41 0.00 0.00 41.25 39.97 2ju3 s ASN 2 CO 0.00 -0.63 1.97 0.33 -1.51 0.00 0.00 177.10 177.26 2ju3 n PHE 3 N 4.42 3.10 -1.87 2.20 7.35 -1.26 -4.95 117.46 126.45 2ju3 n PHE 3 Ca 0.01 -2.65 -0.39 0.00 -0.76 0.00 0.00 57.45 53.66 2ju3 n PHE 3 Cb 0.42 -1.22 0.02 0.00 0.35 0.00 0.00 39.48 39.05 2ju3 n PHE 3 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2ju3 s SER 4 N -1.58 5.69 0.00 -2.13 0.01 -1.25 -4.82 113.70 109.61 2ju3 s SER 4 Ca 0.57 2.76 0.00 0.00 1.31 0.00 0.00 55.95 60.60 2ju3 s SER 4 Cb 0.47 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 64.06 2ju3 s SER 4 CO -0.23 -1.29 0.00 0.61 0.41 0.00 0.00 173.24 172.75 2ju3 n GLY 5 N 0.64 -1.59 3.77 3.44 0.00 0.18 -4.94 105.19 106.69 2ju3 n GLY 5 Ca 0.07 -1.10 -0.36 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.44 3.20 -0.16 1.61 2.47 -1.26 0.04 119.74 124.20 2ju3 s LYS 6 Ca 0.00 -0.28 -0.01 0.00 -1.56 0.00 0.00 55.97 54.12 2ju3 s LYS 6 Cb 0.00 -2.98 0.04 0.00 -1.46 0.00 0.00 37.83 33.43 2ju3 s LYS 6 CO 0.00 0.74 -0.03 0.71 0.16 0.00 0.00 175.35 176.93 2ju3 s TYR 7 N -0.94 1.41 -0.38 4.03 1.51 0.34 -3.11 117.35 120.20 2ju3 s TYR 7 Ca 0.14 -0.90 -0.19 0.00 -1.01 0.00 0.00 57.07 55.10 2ju3 s TYR 7 Cb -0.12 -1.18 0.01 0.00 -0.11 0.00 0.00 41.96 40.56 2ju3 s TYR 7 CO 0.03 -0.57 0.58 -1.14 -1.11 0.00 0.00 175.55 173.34 2ju3 s GLN 8 N 1.73 3.50 0.30 -0.62 2.00 0.26 -0.31 119.66 126.52 2ju3 s GLN 8 Ca 0.01 -0.20 -0.30 0.00 -2.00 0.00 0.00 55.36 52.87 2ju3 s GLN 8 Cb -0.15 -3.86 -0.11 0.00 0.80 0.00 0.00 33.01 29.68 2ju3 s GLN 8 CO -0.07 -0.80 1.57 0.08 -0.50 0.00 0.00 175.29 175.57 2ju3 s VAL 9 N 2.60 2.13 0.05 1.34 1.01 -0.91 0.14 120.40 126.76 2ju3 s VAL 9 Ca 0.21 0.11 -0.00 0.00 0.00 0.00 0.00 61.98 62.30 2ju3 s VAL 9 Cb -0.15 -3.07 -0.00 0.00 0.00 0.00 0.00 36.38 33.16 2ju3 s VAL 9 CO 0.15 0.02 -0.00 0.00 0.00 0.00 0.00 175.10 175.27 2ju3 n GLN 10 N 2.03 0.00 -3.65 2.72 10.64 0.13 -4.45 117.38 124.80 2ju3 n GLN 10 Ca 0.07 0.00 -0.33 0.00 -1.83 0.00 0.00 57.00 54.91 2ju3 n GLN 10 Cb 0.38 -0.50 -0.05 0.00 -0.86 0.00 0.00 30.24 29.21 2ju3 n GLN 10 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2ju3 s SER 11 N -5.51 6.55 0.10 2.61 0.15 -0.99 -4.92 113.70 111.69 2ju3 s SER 11 Ca -0.00 0.66 -0.14 0.00 0.70 0.00 0.00 55.95 57.17 2ju3 s SER 11 Cb 0.00 -2.12 0.02 0.00 -1.71 0.00 0.00 66.02 62.21 2ju3 s SER 11 CO 0.00 0.13 0.33 -1.10 1.20 0.00 0.00 173.24 173.80 2ju3 s GLN 12 N -2.23 0.97 0.08 5.44 -0.21 -1.26 0.18 119.66 122.64 2ju3 s GLN 12 Ca 0.36 -0.73 0.00 0.00 0.02 0.00 0.00 55.36 55.01 2ju3 s GLN 12 Cb -0.13 0.42 -0.04 0.00 1.00 0.00 0.00 33.01 34.26 2ju3 s GLN 12 CO 0.21 -0.35 -0.03 -1.83 -2.12 0.00 0.00 175.29 171.17 2ju3 s GLU 13 N -3.59 0.76 -1.47 2.91 -1.05 0.67 -4.84 118.70 112.09 2ju3 s GLU 13 Ca 0.02 -1.31 -0.05 0.00 -0.15 0.00 0.00 54.97 53.48 2ju3 s GLU 13 Cb 0.02 0.05 0.02 0.00 -0.44 0.00 0.00 34.13 33.78 2ju3 s GLU 13 CO -0.10 -0.10 0.45 0.09 0.95 0.00 0.00 175.26 176.55 2ju3 n ASN 14 N 0.01 -5.27 -0.06 0.83 3.02 -1.26 -2.11 115.26 110.42 2ju3 n ASN 14 Ca -0.12 -0.23 -0.15 0.00 -0.03 0.00 0.00 54.58 54.05 2ju3 n ASN 14 Cb 0.61 -4.31 -0.06 0.00 -0.61 0.00 0.00 39.78 35.41 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 -0.99 0.92 0.90 3.10 3.04 -1.89 -2.98 116.94 119.04 2ju3 h PHE 15 Ca -0.48 -0.35 -0.04 0.00 3.98 0.00 0.00 57.97 61.08 2ju3 h PHE 15 Cb 1.33 -0.16 0.01 0.00 2.56 0.00 0.00 35.95 39.68 2ju3 h PHE 15 CO 0.59 1.15 -0.46 0.93 -2.02 0.00 0.00 178.31 178.49 2ju3 h GLU 16 N 0.44 -1.20 -0.12 1.11 5.08 -1.89 -0.99 114.58 117.00 2ju3 h GLU 16 Ca -0.00 0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2ju3 h GLU 16 Cb 1.13 0.27 -0.00 0.00 0.50 0.00 0.00 28.75 30.64 2ju3 h GLU 16 CO 0.11 -0.80 0.10 -1.00 -1.00 0.00 0.00 179.01 176.43 2ju3 h PRO 17 N -1.24 0.00 0.07 2.33 0.13 -1.97 1.53 132.00 132.84 2ju3 h PRO 17 Ca -0.12 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2ju3 h PRO 17 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 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 -0.10 1.56 3.57 -1.34 -1.07 116.94 119.47 2ju3 h PHE 18 Ca 0.06 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.45 2ju3 h PHE 18 Cb 0.26 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 2ju3 h PHE 18 CO 0.00 0.45 -0.41 0.52 -2.23 0.00 0.00 178.31 176.64 2ju3 h MET 19 N -0.68 0.23 -0.17 1.11 2.86 -0.06 -0.14 114.93 118.08 2ju3 h MET 19 Ca -0.01 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2ju3 h MET 19 Cb 0.57 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 2ju3 h MET 19 CO 0.01 0.61 0.11 0.87 1.06 0.00 0.00 176.91 179.58 2ju3 h LYS 20 N 0.19 0.23 0.00 1.72 1.57 0.21 0.67 116.57 121.17 2ju3 h LYS 20 Ca 0.02 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ju3 h LYS 20 Cb 0.81 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.07 2ju3 h LYS 20 CO 0.06 0.16 0.00 0.00 -0.57 0.00 0.00 179.45 179.11 2ju3 h ALA 21 N 1.05 1.00 0.00 3.86 0.00 -1.01 0.88 119.26 125.04 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 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2ju3 h ALA 21 CO -0.01 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.91 2ju3 n MET 22 N -3.03 0.09 0.00 0.00 2.81 -0.08 -4.88 117.12 112.03 2ju3 n MET 22 Ca 0.01 0.11 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 2ju3 n MET 22 Cb 0.32 -1.61 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 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 1.23 1.18 3.72 3.03 0.00 0.29 -5.03 105.19 109.61 2ju3 n GLY 23 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 4.31 0.42 0.99 2.96 0.21 -4.95 118.68 122.62 2ju3 s LEU 24 Ca 0.00 1.15 -0.24 0.00 -0.22 0.00 0.00 54.13 54.82 2ju3 s LEU 24 Cb 0.00 -3.04 -0.08 0.00 0.50 0.00 0.00 46.19 43.57 2ju3 s LEU 24 CO 0.00 -0.10 1.16 -2.16 -1.32 0.00 0.00 176.35 173.93 2ju3 s PRO 25 N 0.77 3.96 0.54 0.98 0.04 -1.26 -4.01 135.00 136.02 2ju3 s PRO 25 Ca 0.36 1.78 0.28 0.00 0.04 0.00 0.00 61.00 63.47 2ju3 s PRO 25 Cb -0.17 -2.56 1.45 0.00 0.04 0.00 0.00 34.50 33.25 2ju3 s PRO 25 CO 0.17 -0.39 1.94 1.05 0.04 0.00 0.00 177.00 179.82 2ju3 h GLU 26 N 2.41 0.00 -0.11 4.56 4.11 -1.96 0.69 114.58 124.28 2ju3 h GLU 26 Ca -0.49 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.93 2ju3 h GLU 26 Cb 1.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 2ju3 h GLU 26 CO 0.62 0.00 0.02 0.22 0.07 0.00 0.00 179.01 179.94 2ju3 h ASP 27 N 0.00 0.17 0.50 3.06 3.58 -1.99 0.30 116.42 122.05 2ju3 h ASP 27 Ca 0.32 -0.24 -0.14 0.00 0.42 0.00 0.00 57.03 57.39 2ju3 h ASP 27 Cb 1.32 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 42.31 2ju3 h ASP 27 CO -0.00 0.37 -0.63 -0.07 -2.88 0.00 0.00 179.24 176.02 2ju3 h LEU 28 N -0.03 0.14 -0.31 2.28 3.38 -1.23 -2.45 115.31 117.09 2ju3 h LEU 28 Ca 0.04 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.94 2ju3 h LEU 28 Cb 0.27 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2ju3 h LEU 28 CO 0.00 0.74 0.16 0.40 0.09 0.00 0.00 178.44 179.83 2ju3 h ILE 29 N 0.09 1.00 -0.13 1.22 1.08 0.47 0.40 117.51 121.64 2ju3 h ILE 29 Ca -0.01 -0.12 -0.05 0.00 -0.39 0.00 0.00 64.86 64.29 2ju3 h ILE 29 Cb 1.13 0.63 -0.01 0.00 -3.07 0.00 0.00 36.82 35.51 2ju3 h ILE 29 CO 0.09 0.06 -0.17 1.56 -0.69 0.00 0.00 178.15 179.00 2ju3 h GLN 30 N 0.34 0.21 0.16 2.37 1.08 -0.15 0.41 115.11 119.52 2ju3 h GLN 30 Ca 0.13 -0.05 -0.30 0.00 -1.45 0.00 0.00 58.65 56.98 2ju3 h GLN 30 Cb 0.03 -0.03 0.01 0.00 -0.05 0.00 0.00 27.48 27.45 2ju3 h GLN 30 CO -0.08 0.38 -1.35 0.87 -0.95 0.00 0.00 178.83 177.69 2ju3 h LYS 31 N 0.19 0.34 0.00 1.46 1.57 -0.97 -3.09 116.57 116.07 2ju3 h LYS 31 Ca 0.04 -0.57 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 2ju3 h LYS 31 Cb 0.42 0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.94 2ju3 h LYS 31 CO 0.03 1.26 -0.21 0.41 -0.57 0.00 0.00 179.45 180.37 2ju3 n GLY 32 N 1.60 -1.42 0.18 3.86 0.00 0.14 -4.01 105.19 105.53 2ju3 n GLY 32 Ca -0.12 -0.19 0.13 0.00 0.00 0.00 0.00 46.02 45.84 2ju3 n GLY 32 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2ju3 h LYS 33 N 0.00 0.00 -0.01 1.61 3.64 -0.09 0.23 116.57 121.95 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 0.53 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2ju3 h LYS 33 CO 0.00 0.00 -0.42 -3.47 -2.27 0.00 0.00 179.45 173.29 2ju3 n ASP 34 N -2.37 1.54 -4.61 4.20 2.03 -1.26 -4.89 116.55 111.19 2ju3 n ASP 34 Ca -0.01 -1.21 -0.43 0.00 0.52 0.00 0.00 54.79 53.66 2ju3 n ASP 34 Cb 0.07 0.36 -0.02 0.00 -0.72 0.00 0.00 41.12 40.82 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 -2.53 4.00 0.00 5.18 -1.09 0.07 -4.98 121.20 121.85 2ju3 s ILE 35 Ca 0.20 1.08 0.00 0.00 -2.23 0.00 0.00 60.65 59.70 2ju3 s ILE 35 Cb 0.18 -4.18 0.00 0.00 -1.58 0.00 0.00 42.46 36.89 2ju3 s ILE 35 CO 0.57 -0.63 0.00 0.29 -1.23 0.00 0.00 174.94 173.94 2ju3 n LYS 36 N 7.74 1.92 -3.81 2.79 4.01 -1.26 -4.84 118.16 124.71 2ju3 n LYS 36 Ca 0.16 0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 57.87 2ju3 n LYS 36 Cb 0.47 0.00 -0.04 0.00 -0.51 0.00 0.00 35.03 34.96 2ju3 n LYS 36 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 2ju3 s GLY 37 N -1.39 0.03 -0.28 0.72 0.00 -1.25 -2.53 107.32 102.62 2ju3 s GLY 37 Ca 0.00 -0.36 -0.10 0.00 0.00 0.00 0.00 44.72 44.26 2ju3 s GLY 37 CO 0.00 -0.29 0.15 0.14 0.00 0.00 0.00 173.10 173.11 2ju3 s VAL 38 N -3.91 4.94 0.04 1.40 1.01 -1.24 -2.14 120.40 120.50 2ju3 s VAL 38 Ca 0.12 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.10 2ju3 s VAL 38 Cb -0.02 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2ju3 s VAL 38 CO 0.02 0.24 0.11 -0.44 0.00 0.00 0.00 175.10 175.03 2ju3 s SER 39 N 1.70 5.79 -0.08 3.32 0.01 0.58 -2.29 113.70 122.73 2ju3 s SER 39 Ca 0.07 0.12 -0.00 0.00 1.31 0.00 0.00 55.95 57.44 2ju3 s SER 39 Cb -0.16 -1.66 0.02 0.00 0.21 0.00 0.00 66.02 64.44 2ju3 s SER 39 CO 0.08 0.22 -0.05 -0.70 0.41 0.00 0.00 173.24 173.20 2ju3 s GLU 40 N -2.14 1.10 -0.25 12.44 2.12 0.79 0.13 118.70 132.90 2ju3 s GLU 40 Ca 0.28 -0.12 -0.01 0.00 0.36 0.00 0.00 54.97 55.48 2ju3 s GLU 40 Cb -0.12 -1.23 0.03 0.00 0.26 0.00 0.00 34.13 33.07 2ju3 s GLU 40 CO 0.20 -0.22 -0.08 0.42 -0.54 0.00 0.00 175.26 175.04 2ju3 s ILE 41 N 1.56 2.68 -0.24 -3.70 -1.09 0.11 -0.68 121.20 119.83 2ju3 s ILE 41 Ca 0.00 -1.15 0.02 0.00 -2.23 0.00 0.00 60.65 57.29 2ju3 s ILE 41 Cb -0.13 -2.39 0.06 0.00 -1.58 0.00 0.00 42.46 38.42 2ju3 s ILE 41 CO -0.05 0.17 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.04 2ju3 s VAL 42 N 1.28 1.98 -0.25 2.92 1.01 -0.81 0.47 120.40 127.00 2ju3 s VAL 42 Ca -0.01 -1.44 -0.07 0.00 0.00 0.00 0.00 61.98 60.45 2ju3 s VAL 42 Cb -0.17 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 2ju3 s VAL 42 CO -0.05 0.01 0.07 -2.28 0.00 0.00 0.00 175.10 172.85 2ju3 s HIS 43 N 1.20 3.09 -0.27 5.22 5.04 -1.26 0.91 115.29 129.22 2ju3 s HIS 43 Ca -0.07 -0.40 0.02 0.00 -1.54 0.00 0.00 55.06 53.07 2ju3 s HIS 43 Cb -0.19 -2.23 0.07 0.00 0.04 0.00 0.00 32.58 30.27 2ju3 s HIS 43 CO -0.06 -0.34 -0.05 -2.00 -2.34 0.00 0.00 174.74 169.95 2ju3 s GLU 44 N 1.55 1.85 5.33 2.88 2.56 0.29 -4.54 118.70 128.61 2ju3 s GLU 44 Ca 0.06 -1.36 0.00 0.00 0.00 0.00 0.00 54.97 53.67 2ju3 s GLU 44 Cb -0.15 -2.84 0.00 0.00 2.00 0.00 0.00 34.13 33.14 2ju3 s GLU 44 CO 0.04 -0.68 0.00 0.41 -0.56 0.00 0.00 175.26 174.47 2ju3 n GLY 45 N 4.47 1.38 0.11 -1.50 0.00 -1.26 -1.24 105.19 107.14 2ju3 n GLY 45 Ca -0.09 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 0.68 -2.51 1.61 4.01 -1.26 -4.97 118.16 115.72 2ju3 n LYS 46 Ca 0.00 0.09 -0.41 0.00 -0.51 0.00 0.00 58.31 57.48 2ju3 n LYS 46 Cb 0.00 -1.58 -0.04 0.00 -0.51 0.00 0.00 35.03 32.90 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 -2.52 4.55 -0.09 1.97 1.02 -0.38 -1.65 119.74 122.65 2ju3 s LYS 47 Ca -0.15 1.71 0.03 0.00 0.02 0.00 0.00 55.97 57.58 2ju3 s LYS 47 Cb 0.07 -3.31 0.01 0.00 -0.52 0.00 0.00 37.83 34.08 2ju3 s LYS 47 CO 0.78 -0.01 -0.20 0.08 -0.92 0.00 0.00 175.35 175.08 2ju3 s VAL 48 N 0.16 1.73 0.07 3.17 1.01 0.24 0.10 120.40 126.88 2ju3 s VAL 48 Ca 0.52 -0.82 -0.21 0.00 0.00 0.00 0.00 61.98 61.47 2ju3 s VAL 48 Cb -0.29 -1.52 -0.07 0.00 0.00 0.00 0.00 36.38 34.51 2ju3 s VAL 48 CO 0.33 0.49 0.61 -0.54 0.00 0.00 0.00 175.10 175.99 2ju3 s LYS 49 N 0.52 4.29 -0.16 2.72 1.02 0.26 -1.61 119.74 126.77 2ju3 s LYS 49 Ca -0.16 0.81 -0.00 0.00 0.02 0.00 0.00 55.97 56.63 2ju3 s LYS 49 Cb -0.17 -3.27 0.04 0.00 -0.52 0.00 0.00 37.83 33.91 2ju3 s LYS 49 CO 0.06 0.56 -0.06 -0.51 -0.92 0.00 0.00 175.35 174.47 2ju3 s LEU 50 N -0.88 1.63 -0.28 3.17 1.02 0.13 -1.93 118.68 121.54 2ju3 s LEU 50 Ca 0.31 -0.64 -0.07 0.00 0.02 0.00 0.00 54.13 53.75 2ju3 s LEU 50 Cb -0.20 -0.95 0.00 0.00 0.02 0.00 0.00 46.19 45.07 2ju3 s LEU 50 CO 0.20 -0.17 0.07 -0.89 0.02 0.00 0.00 176.35 175.58 2ju3 s THR 51 N 1.61 3.96 -0.12 5.49 2.01 0.14 -1.11 115.64 127.63 2ju3 s THR 51 Ca 0.01 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.39 2ju3 s THR 51 Cb -0.15 -3.01 0.02 0.00 0.01 0.00 0.00 72.50 69.38 2ju3 s THR 51 CO -0.08 0.13 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.26 2ju3 s ILE 52 N 1.51 1.17 -0.11 1.82 1.09 0.06 -0.15 121.20 126.59 2ju3 s ILE 52 Ca 0.03 -0.39 -0.18 0.00 -1.10 0.00 0.00 60.65 59.01 2ju3 s ILE 52 Cb -0.17 -1.15 -0.04 0.00 -1.06 0.00 0.00 42.46 40.04 2ju3 s ILE 52 CO 0.02 0.39 0.48 -0.89 -0.10 0.00 0.00 174.94 174.84 2ju3 s THR 53 N 1.54 5.17 -0.53 2.92 2.01 -0.97 -0.45 115.64 125.34 2ju3 s THR 53 Ca 0.03 0.96 -0.05 0.00 0.31 0.00 0.00 61.69 62.94 2ju3 s THR 53 Cb -0.13 -3.82 0.14 0.00 0.01 0.00 0.00 72.50 68.70 2ju3 s THR 53 CO -0.07 0.34 0.35 -0.31 -0.69 0.00 0.00 174.62 174.24 2ju3 s TYR 54 N 0.54 3.50 0.00 4.92 1.51 0.17 -3.71 117.35 124.29 2ju3 s TYR 54 Ca 0.26 -2.39 0.00 0.00 -1.01 0.00 0.00 57.07 53.93 2ju3 s TYR 54 Cb -0.15 -3.31 0.00 0.00 -0.11 0.00 0.00 41.96 38.39 2ju3 s TYR 54 CO 0.11 -0.93 0.00 0.41 -1.11 0.00 0.00 175.55 174.03 2ju3 n GLY 55 N 4.21 0.58 1.35 0.71 0.00 -1.05 -2.97 105.19 108.02 2ju3 n GLY 55 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.41 0.04 -4.85 1.61 3.41 -1.26 -5.02 113.62 108.97 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 0.00 -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 -1.70 3.97 -0.16 4.33 2.47 -1.16 -5.04 119.74 122.46 2ju3 s LYS 57 Ca 0.00 0.74 0.00 0.00 -1.56 0.00 0.00 55.97 55.15 2ju3 s LYS 57 Cb 0.00 -2.33 0.03 0.00 -1.46 0.00 0.00 37.83 34.07 2ju3 s LYS 57 CO 0.00 0.00 -0.13 0.08 0.16 0.00 0.00 175.35 175.46 2ju3 s VAL 58 N -2.23 1.60 -0.16 4.02 1.01 -1.26 0.45 120.40 123.82 2ju3 s VAL 58 Ca 0.55 -0.73 -0.12 0.00 0.00 0.00 0.00 61.98 61.69 2ju3 s VAL 58 Cb -0.10 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 2ju3 s VAL 58 CO 0.23 0.39 0.23 -0.63 0.00 0.00 0.00 175.10 175.32 2ju3 s ILE 59 N 1.46 5.35 -0.19 2.22 1.01 0.41 -4.93 121.20 126.52 2ju3 s ILE 59 Ca 0.04 0.41 -0.00 0.00 0.00 0.00 0.00 60.65 61.09 2ju3 s ILE 59 Cb -0.14 -3.56 0.01 0.00 0.01 0.00 0.00 42.46 38.79 2ju3 s ILE 59 CO -0.10 0.44 -0.16 -2.28 0.00 0.00 0.00 174.94 172.84 2ju3 s HIS 60 N 0.20 2.82 -0.02 3.97 2.46 -1.26 -0.76 115.29 122.70 2ju3 s HIS 60 Ca 0.14 -1.48 -0.05 0.00 0.47 0.00 0.00 55.06 54.14 2ju3 s HIS 60 Cb -0.12 -1.96 0.00 0.00 -0.13 0.00 0.00 32.58 30.36 2ju3 s HIS 60 CO 0.02 -0.75 0.11 0.54 -2.47 0.00 0.00 174.74 172.20 2ju3 s ASN 61 N 1.34 -0.02 0.06 9.88 4.22 -0.27 -4.81 114.94 125.34 2ju3 s ASN 61 Ca 0.05 -0.03 0.08 0.00 -2.14 0.00 0.00 52.86 50.82 2ju3 s ASN 61 Cb -0.13 0.21 -0.03 0.00 1.28 0.00 0.00 41.25 42.58 2ju3 s ASN 61 CO -0.11 -0.21 -0.23 -0.70 -2.04 0.00 0.00 177.10 173.81 2ju3 s GLU 62 N -0.72 1.50 0.01 3.55 2.12 -1.26 0.17 118.70 124.07 2ju3 s GLU 62 Ca -0.08 -1.05 -0.00 0.00 0.36 0.00 0.00 54.97 54.20 2ju3 s GLU 62 Cb -0.05 -1.68 -0.01 0.00 0.26 0.00 0.00 34.13 32.65 2ju3 s GLU 62 CO 0.01 0.43 -0.02 -0.59 -0.54 0.00 0.00 175.26 174.54 2ju3 s PHE 63 N -0.86 0.17 -0.15 5.30 -0.12 -0.63 -4.67 117.98 117.02 2ju3 s PHE 63 Ca 0.09 -0.35 -0.06 0.00 -0.05 0.00 0.00 56.93 56.56 2ju3 s PHE 63 Cb -0.09 -0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.13 2ju3 s PHE 63 CO 0.02 -0.12 0.06 0.99 -0.05 0.00 0.00 175.22 176.12 2ju3 s THR 64 N -0.96 4.83 -0.08 -4.49 2.01 -1.26 0.79 115.64 116.48 2ju3 s THR 64 Ca -0.10 -0.03 -0.30 0.00 0.31 0.00 0.00 61.69 61.57 2ju3 s THR 64 Cb -0.07 -3.14 -0.05 0.00 0.01 0.00 0.00 72.50 69.26 2ju3 s THR 64 CO -0.01 0.51 1.57 -0.76 -0.69 0.00 0.00 174.62 175.25 2ju3 s LEU 65 N -0.09 4.29 0.00 4.42 2.01 -0.66 -2.37 118.68 126.29 2ju3 s LEU 65 Ca 0.07 2.12 0.00 0.00 0.01 0.00 0.00 54.13 56.33 2ju3 s LEU 65 Cb -0.12 -3.53 0.00 0.00 0.01 0.00 0.00 46.19 42.55 2ju3 s LEU 65 CO 0.01 -0.89 0.00 0.61 1.01 0.00 0.00 176.35 177.09 2ju3 n GLY 66 N 4.02 0.43 3.15 -3.19 0.00 0.38 -4.90 105.19 105.07 2ju3 n GLY 66 Ca 0.17 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 -0.46 1.12 -0.25 1.61 2.12 -1.00 -4.99 118.70 116.85 2ju3 s GLU 67 Ca 0.00 -0.68 -0.29 0.00 0.36 0.00 0.00 54.97 54.36 2ju3 s GLU 67 Cb 0.00 -1.12 -0.02 0.00 0.26 0.00 0.00 34.13 33.25 2ju3 s GLU 67 CO 0.00 0.29 1.58 -2.00 -0.54 0.00 0.00 175.26 174.60 2ju3 s GLU 68 N -0.78 3.75 0.06 4.30 2.12 -1.26 -4.02 118.70 122.88 2ju3 s GLU 68 Ca 0.04 1.55 0.08 0.00 0.36 0.00 0.00 54.97 57.00 2ju3 s GLU 68 Cb -0.07 -4.03 -0.03 0.00 0.26 0.00 0.00 34.13 30.26 2ju3 s GLU 68 CO 0.00 -1.34 -0.22 0.00 -0.54 0.00 0.00 175.26 173.17 2ju3 s GLU 70 N -1.55 4.25 -0.19 0.00 2.02 -1.26 0.10 118.70 122.06 2ju3 s GLU 70 Ca 0.14 0.11 -0.08 0.00 0.02 0.00 0.00 54.97 55.16 2ju3 s GLU 70 Cb -0.10 -3.45 -0.04 0.00 0.10 0.00 0.00 34.13 30.64 2ju3 s GLU 70 CO 0.05 0.19 0.09 -1.17 0.02 0.00 0.00 175.26 174.43 2ju3 s LEU 71 N 0.63 3.95 -0.16 1.80 1.98 0.18 -4.78 118.68 122.28 2ju3 s LEU 71 Ca 0.17 0.13 -0.05 0.00 -2.89 0.00 0.00 54.13 51.48 2ju3 s LEU 71 Cb -0.13 -2.01 -0.04 0.00 0.66 0.00 0.00 46.19 44.67 2ju3 s LEU 71 CO 0.05 0.17 0.03 -0.70 -1.89 0.00 0.00 176.35 174.01 2ju3 s GLU 72 N 0.38 3.72 0.69 1.98 2.12 -1.26 -0.76 118.70 125.57 2ju3 s GLU 72 Ca 0.05 -0.39 0.03 0.00 0.36 0.00 0.00 54.97 55.01 2ju3 s GLU 72 Cb -0.12 -3.06 0.12 0.00 0.26 0.00 0.00 34.13 31.33 2ju3 s GLU 72 CO -0.01 0.35 0.95 0.95 -0.54 0.00 0.00 175.26 176.97 2ju3 s THR 73 N 0.12 2.07 -1.81 -1.70 -4.23 -1.18 -4.82 115.64 104.09 2ju3 s THR 73 Ca 0.03 -0.73 0.30 0.00 -1.18 0.00 0.00 61.69 60.11 2ju3 s THR 73 Cb -0.13 -2.34 0.74 0.00 1.34 0.00 0.00 72.50 72.11 2ju3 s THR 73 CO 0.01 0.00 2.09 0.80 -0.54 0.00 0.00 174.62 176.98 2ju3 n MET 74 N -2.69 0.77 0.00 3.99 1.56 -1.26 -2.36 117.12 117.13 2ju3 n MET 74 Ca 0.16 0.00 0.12 0.00 -0.27 0.00 0.00 57.70 57.71 2ju3 n MET 74 Cb 0.61 -1.50 0.17 0.00 2.15 0.00 0.00 33.22 34.65 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 -1.09 0.00 0.00 1.12 -2.24 -1.26 -4.94 114.28 105.86 2ju3 n THR 75 Ca 0.20 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 2ju3 n THR 75 Cb 0.15 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 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 1.40 2.85 3.64 3.38 0.00 -1.00 -4.99 105.19 110.47 2ju3 n GLY 76 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 2ju3 n GLY 76 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ju3 s GLU 77 N -0.07 3.94 -0.06 1.61 2.12 -1.26 -4.68 118.70 120.29 2ju3 s GLU 77 Ca 0.00 1.55 -0.04 0.00 0.36 0.00 0.00 54.97 56.84 2ju3 s GLU 77 Cb 0.00 -3.93 -0.04 0.00 0.26 0.00 0.00 34.13 30.42 2ju3 s GLU 77 CO 0.00 -1.10 0.13 0.21 -0.54 0.00 0.00 175.26 173.96 2ju3 s LYS 78 N 4.25 3.34 -0.03 4.30 2.36 -1.26 -3.13 119.74 129.58 2ju3 s LYS 78 Ca 0.63 -0.27 0.05 0.00 -2.55 0.00 0.00 55.97 53.83 2ju3 s LYS 78 Cb -0.22 -3.07 -0.01 0.00 -1.05 0.00 0.00 37.83 33.48 2ju3 s LYS 78 CO 0.25 0.72 -0.19 0.54 1.55 0.00 0.00 175.35 178.21 2ju3 s VAL 79 N -1.14 1.54 0.14 4.02 0.11 0.06 -4.88 120.40 120.25 2ju3 s VAL 79 Ca 0.20 -0.81 -0.30 0.00 -2.93 0.00 0.00 61.98 58.15 2ju3 s VAL 79 Cb -0.12 -1.30 -0.07 0.00 -1.53 0.00 0.00 36.38 33.36 2ju3 s VAL 79 CO 0.10 0.44 1.02 -1.59 -3.33 0.00 0.00 175.10 171.74 2ju3 s LYS 80 N -0.23 4.66 0.01 1.54 -2.85 -1.26 0.48 119.74 122.10 2ju3 s LYS 80 Ca 0.02 1.56 -0.05 0.00 -1.00 0.00 0.00 55.97 56.50 2ju3 s LYS 80 Cb -0.10 -3.33 -0.01 0.00 -2.06 0.00 0.00 37.83 32.33 2ju3 s LYS 80 CO 0.01 0.17 0.08 0.00 0.10 0.00 0.00 175.35 175.70 2ju3 s ALA 81 N -0.14 -0.14 -0.31 0.59 0.00 0.29 -4.91 121.76 117.15 2ju3 s ALA 81 Ca 0.48 -0.35 -0.09 0.00 0.00 0.00 0.00 51.96 52.00 2ju3 s ALA 81 Cb -0.26 0.15 -0.00 0.00 0.00 0.00 0.00 23.12 23.01 2ju3 s ALA 81 CO 0.32 -0.21 0.13 0.08 0.00 0.00 0.00 175.76 176.08 2ju3 s VAL 82 N -1.61 4.38 -0.13 0.00 1.01 -1.26 0.28 120.40 123.07 2ju3 s VAL 82 Ca -0.14 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 2ju3 s VAL 82 Cb -0.07 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 2ju3 s VAL 82 CO -0.00 0.07 -0.10 0.54 0.00 0.00 0.00 175.10 175.61 2ju3 s VAL 83 N 1.57 3.36 0.17 2.92 0.11 -1.26 -4.29 120.40 122.99 2ju3 s VAL 83 Ca 0.04 -0.56 -0.07 0.00 -2.93 0.00 0.00 61.98 58.46 2ju3 s VAL 83 Cb -0.17 -2.43 -0.02 0.00 -1.53 0.00 0.00 36.38 32.23 2ju3 s VAL 83 CO 0.05 0.52 0.25 -0.75 -3.33 0.00 0.00 175.10 171.84 2ju3 s LYS 84 N 0.27 1.17 0.13 1.54 2.20 -1.16 -0.47 119.74 123.41 2ju3 s LYS 84 Ca -0.07 -1.29 -0.30 0.00 -0.36 0.00 0.00 55.97 53.95 2ju3 s LYS 84 Cb -0.15 0.35 -0.06 0.00 -1.51 0.00 0.00 37.83 36.46 2ju3 s LYS 84 CO 0.04 -0.42 0.97 -1.64 -0.36 0.00 0.00 175.35 173.95 2ju3 s MET 85 N -4.01 4.71 0.13 4.03 -1.94 -1.26 -0.83 119.30 120.13 2ju3 s MET 85 Ca 0.22 1.47 -0.12 0.00 -1.71 0.00 0.00 55.69 55.55 2ju3 s MET 85 Cb 0.04 -3.36 -0.07 0.00 2.01 0.00 0.00 34.83 33.45 2ju3 s MET 85 CO 0.03 0.24 0.49 -2.00 -0.01 0.00 0.00 175.02 173.77 2ju3 s GLU 86 N -0.15 3.87 -1.02 2.03 2.12 0.12 -4.85 118.70 120.83 2ju3 s GLU 86 Ca 0.46 0.34 -0.26 0.00 0.36 0.00 0.00 54.97 55.87 2ju3 s GLU 86 Cb -0.24 -2.92 -0.21 0.00 0.26 0.00 0.00 34.13 31.02 2ju3 s GLU 86 CO 0.30 0.49 2.03 0.41 -0.54 0.00 0.00 175.26 177.95 2ju3 n GLY 87 N 0.70 0.04 1.19 -1.50 0.00 -1.26 -3.28 105.19 101.07 2ju3 n GLY 87 Ca -0.05 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 17.56 0.00 0.00 1.61 -0.08 -1.26 -5.07 116.55 129.31 2ju3 n ASP 88 Ca 0.43 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.71 2ju3 n ASP 88 Cb 0.46 0.28 0.00 0.00 2.34 0.00 0.00 41.12 44.20 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 -1.89 0.00 -2.13 1.67 3.02 -1.21 -4.98 115.26 109.75 2ju3 n ASN 89 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.47 2ju3 n ASN 89 Cb 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 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 -1.09 0.41 -3.97 3.52 4.81 -1.18 -3.17 118.16 117.49 2ju3 n LYS 90 Ca 0.00 -1.58 -0.29 0.00 -0.87 0.00 0.00 58.31 55.57 2ju3 n LYS 90 Cb 0.00 1.53 -0.04 0.00 0.02 0.00 0.00 35.03 36.54 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 -2.44 3.25 -0.07 1.64 -1.94 -0.59 -0.70 119.30 118.45 2ju3 s MET 91 Ca 0.16 -0.58 0.03 0.00 -1.71 0.00 0.00 55.69 53.59 2ju3 s MET 91 Cb -0.01 -2.91 -0.02 0.00 2.01 0.00 0.00 34.83 33.90 2ju3 s MET 91 CO 0.12 0.56 -0.14 0.08 -0.01 0.00 0.00 175.02 175.63 2ju3 s VAL 92 N -1.57 3.02 -0.00 -6.03 1.01 -0.01 -0.44 120.40 116.37 2ju3 s VAL 92 Ca 0.33 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.61 2ju3 s VAL 92 Cb -0.12 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 2ju3 s VAL 92 CO 0.26 0.57 -0.07 0.28 0.00 0.00 0.00 175.10 176.15 2ju3 s THR 93 N -0.45 0.53 -0.17 3.92 -1.32 0.86 -2.99 115.64 116.02 2ju3 s THR 93 Ca 0.05 -0.31 -0.01 0.00 -1.21 0.00 0.00 61.69 60.22 2ju3 s THR 93 Cb -0.12 -0.45 -0.01 0.00 -1.51 0.00 0.00 72.50 70.42 2ju3 s THR 93 CO 0.02 0.13 -0.11 0.42 -2.21 0.00 0.00 174.62 172.87 2ju3 s THR 94 N -0.19 2.96 -0.05 5.08 -4.23 -1.26 -0.54 115.64 117.40 2ju3 s THR 94 Ca 0.02 -0.66 -0.19 0.00 -1.18 0.00 0.00 61.69 59.69 2ju3 s THR 94 Cb -0.03 -2.28 0.04 0.00 1.34 0.00 0.00 72.50 71.57 2ju3 s THR 94 CO -0.00 0.49 0.42 0.72 -0.54 0.00 0.00 174.62 175.70 2ju3 s PHE 95 N 0.94 -0.34 -1.04 3.99 -0.71 0.21 -4.39 117.98 116.64 2ju3 s PHE 95 Ca -0.02 0.62 0.00 0.00 -1.04 0.00 0.00 56.93 56.49 2ju3 s PHE 95 Cb -0.15 0.18 0.00 0.00 -1.21 0.00 0.00 43.02 41.84 2ju3 s PHE 95 CO -0.01 -0.41 0.00 1.63 -1.34 0.00 0.00 175.22 175.09 2ju3 n LYS 96 N 1.47 -1.90 -0.88 1.99 5.02 -1.26 -0.40 118.16 122.20 2ju3 n LYS 96 Ca -0.20 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 2ju3 n LYS 96 Cb 0.56 -5.03 0.00 0.00 -0.02 0.00 0.00 35.03 30.55 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 -0.56 0.96 3.77 0.72 0.00 -1.26 -5.02 105.19 103.80 2ju3 n GLY 97 Ca -0.12 0.00 -0.31 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 -3.76 4.54 -0.15 -0.61 -5.25 0.47 -4.85 121.20 111.59 2ju3 s ILE 98 Ca 0.00 -0.66 -0.01 0.00 -0.99 0.00 0.00 60.65 58.98 2ju3 s ILE 98 Cb 0.00 -3.14 -0.02 0.00 2.95 0.00 0.00 42.46 42.25 2ju3 s ILE 98 CO 0.00 0.21 -0.10 -0.54 -1.79 0.00 0.00 174.94 172.72 2ju3 s LYS 99 N -2.15 3.45 -0.04 0.37 3.01 -0.43 -0.62 119.74 123.34 2ju3 s LYS 99 Ca 0.27 -0.64 0.02 0.00 -1.01 0.00 0.00 55.97 54.61 2ju3 s LYS 99 Cb -0.12 -2.75 0.01 0.00 -1.01 0.00 0.00 37.83 33.96 2ju3 s LYS 99 CO 0.19 0.16 -0.10 -1.12 0.51 0.00 0.00 175.35 175.00 2ju3 s SER 100 N 0.51 1.35 -0.06 2.83 0.01 0.30 0.86 113.70 119.49 2ju3 s SER 100 Ca -0.07 -0.21 0.01 0.00 1.31 0.00 0.00 55.95 56.99 2ju3 s SER 100 Cb -0.15 -0.47 -0.03 0.00 0.21 0.00 0.00 66.02 65.57 2ju3 s SER 100 CO 0.04 0.04 -0.06 0.54 0.41 0.00 0.00 173.24 174.21 2ju3 s VAL 101 N 0.41 3.75 -0.04 3.43 0.11 0.33 -0.10 120.40 128.30 2ju3 s VAL 101 Ca -0.07 -0.48 0.06 0.00 -2.93 0.00 0.00 61.98 58.55 2ju3 s VAL 101 Cb -0.11 -2.54 -0.01 0.00 -1.53 0.00 0.00 36.38 32.18 2ju3 s VAL 101 CO 0.01 0.58 -0.21 -0.89 -3.33 0.00 0.00 175.10 171.27 2ju3 s THR 102 N -0.83 1.68 -0.04 5.04 2.01 0.41 0.54 115.64 124.45 2ju3 s THR 102 Ca 0.13 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.28 2ju3 s THR 102 Cb -0.11 -1.42 0.00 0.00 0.01 0.00 0.00 72.50 70.98 2ju3 s THR 102 CO 0.02 0.48 -0.12 -0.70 -0.69 0.00 0.00 174.62 173.60 2ju3 s GLU 103 N -0.24 1.40 -0.47 4.92 2.12 0.20 -1.54 118.70 125.09 2ju3 s GLU 103 Ca 0.01 -0.42 -0.17 0.00 0.36 0.00 0.00 54.97 54.75 2ju3 s GLU 103 Cb -0.11 -1.23 0.06 0.00 0.26 0.00 0.00 34.13 33.11 2ju3 s GLU 103 CO 0.01 0.13 0.46 0.12 -0.54 0.00 0.00 175.26 175.44 2ju3 s PHE 104 N 0.28 3.17 -0.44 5.30 2.19 -1.19 0.25 117.98 127.55 2ju3 s PHE 104 Ca -0.06 -0.69 -0.03 0.00 0.33 0.00 0.00 56.93 56.47 2ju3 s PHE 104 Cb -0.11 -3.18 0.12 0.00 -1.31 0.00 0.00 43.02 38.53 2ju3 s PHE 104 CO 0.02 -0.83 0.24 1.21 1.83 0.00 0.00 175.22 177.69 2ju3 s ASN 105 N 2.41 5.29 1.62 6.13 3.84 0.15 -4.75 114.94 129.63 2ju3 s ASN 105 Ca 0.09 -2.12 0.00 0.00 0.21 0.00 0.00 52.86 51.04 2ju3 s ASN 105 Cb -0.21 -1.85 0.00 0.00 -0.55 0.00 0.00 41.25 38.64 2ju3 s ASN 105 CO 0.10 -0.54 0.00 0.61 -2.79 0.00 0.00 177.10 174.48 2ju3 n GLY 106 N 4.49 1.22 0.46 1.21 0.00 -1.26 -0.39 105.19 110.92 2ju3 n GLY 106 Ca -0.01 0.33 0.06 0.00 0.00 0.00 0.00 46.02 46.39 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 10.89 1.97 -4.68 1.61 8.00 -1.26 -4.99 116.55 128.09 2ju3 n ASP 107 Ca 0.00 -1.49 -0.24 0.00 0.71 0.00 0.00 54.79 53.77 2ju3 n ASP 107 Cb 0.00 -0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.03 2ju3 n ASP 107 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2ju3 s THR 108 N -0.96 3.73 -0.15 -3.53 -4.23 0.47 -3.09 115.64 107.88 2ju3 s THR 108 Ca 0.14 -1.61 0.02 0.00 -1.18 0.00 0.00 61.69 59.06 2ju3 s THR 108 Cb 0.10 -2.94 0.01 0.00 1.34 0.00 0.00 72.50 71.00 2ju3 s THR 108 CO 0.14 -0.25 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.14 2ju3 s ILE 109 N -2.02 2.17 -0.34 2.99 1.01 0.29 0.32 121.20 125.61 2ju3 s ILE 109 Ca 0.30 -0.93 -0.13 0.00 0.00 0.00 0.00 60.65 59.89 2ju3 s ILE 109 Cb -0.08 -1.88 -0.02 0.00 0.01 0.00 0.00 42.46 40.49 2ju3 s ILE 109 CO 0.20 0.54 0.24 -0.89 0.00 0.00 0.00 174.94 175.03 2ju3 s THR 110 N 0.93 5.25 -0.27 2.92 2.01 0.14 1.00 115.64 127.61 2ju3 s THR 110 Ca -0.04 -0.23 -0.10 0.00 0.31 0.00 0.00 61.69 61.63 2ju3 s THR 110 Cb -0.15 -3.69 -0.05 0.00 0.01 0.00 0.00 72.50 68.62 2ju3 s THR 110 CO -0.04 -0.01 0.16 0.21 -0.69 0.00 0.00 174.62 174.25 2ju3 s ASN 111 N 1.72 5.86 -0.24 3.53 3.84 0.39 0.58 114.94 130.62 2ju3 s ASN 111 Ca 0.06 -0.03 -0.00 0.00 0.21 0.00 0.00 52.86 53.10 2ju3 s ASN 111 Cb -0.17 -2.08 0.03 0.00 -0.55 0.00 0.00 41.25 38.48 2ju3 s ASN 111 CO 0.10 -0.02 -0.10 -0.89 -2.79 0.00 0.00 177.10 173.40 2ju3 s THR 112 N 1.59 2.56 -0.11 -5.21 2.01 0.19 0.61 115.64 117.27 2ju3 s THR 112 Ca 0.07 -1.16 -0.05 0.00 0.31 0.00 0.00 61.69 60.86 2ju3 s THR 112 Cb -0.15 -2.31 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 2ju3 s THR 112 CO 0.08 0.21 0.09 -0.32 -0.69 0.00 0.00 174.62 173.99 2ju3 s MET 113 N 1.27 3.31 -0.20 4.92 1.75 0.51 0.12 119.30 130.98 2ju3 s MET 113 Ca -0.01 -0.23 0.00 0.00 -1.25 0.00 0.00 55.69 54.20 2ju3 s MET 113 Cb -0.17 -3.06 0.05 0.00 2.84 0.00 0.00 34.83 34.49 2ju3 s MET 113 CO -0.06 0.73 -0.07 0.99 -0.65 0.00 0.00 175.02 175.96 2ju3 s THR 114 N -0.92 1.43 -0.35 10.11 2.01 0.25 0.96 115.64 129.14 2ju3 s THR 114 Ca 0.14 -0.98 -0.03 0.00 0.31 0.00 0.00 61.69 61.13 2ju3 s THR 114 Cb -0.12 -1.62 0.07 0.00 0.01 0.00 0.00 72.50 70.84 2ju3 s THR 114 CO 0.03 0.05 0.09 -0.22 -0.69 0.00 0.00 174.62 173.88 2ju3 s LEU 115 N 1.47 4.44 0.00 4.42 0.20 0.77 -1.31 118.68 128.67 2ju3 s LEU 115 Ca -0.02 -1.49 0.00 0.00 0.69 0.00 0.00 54.13 53.30 2ju3 s LEU 115 Cb -0.17 -1.79 0.00 0.00 -0.43 0.00 0.00 46.19 43.80 2ju3 s LEU 115 CO -0.07 -0.37 0.00 0.61 -0.29 0.00 0.00 176.35 176.23 2ju3 n GLY 116 N 4.66 0.41 0.03 7.98 0.00 -1.26 0.00 105.19 117.01 2ju3 n GLY 116 Ca -0.09 0.48 0.02 0.00 0.00 0.00 0.00 46.02 46.43 2ju3 n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ju3 n ASP 117 N 3.05 1.24 -4.70 1.61 8.00 -1.26 -4.95 116.55 119.54 2ju3 n ASP 117 Ca 0.00 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 2ju3 n ASP 117 Cb 0.00 1.43 -0.04 0.00 -0.02 0.00 0.00 41.12 42.49 2ju3 n ASP 117 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2ju3 s ILE 118 N -2.86 4.91 -0.04 0.53 -4.36 0.10 -5.04 121.20 114.44 2ju3 s ILE 118 Ca -0.07 1.78 0.02 0.00 -0.26 0.00 0.00 60.65 62.12 2ju3 s ILE 118 Cb 0.08 -4.20 -0.03 0.00 1.25 0.00 0.00 42.46 39.57 2ju3 s ILE 118 CO 0.66 0.13 -0.06 0.54 0.24 0.00 0.00 174.94 176.45 2ju3 s VAL 119 N 1.38 3.72 -0.02 8.37 0.11 -1.26 -0.16 120.40 132.54 2ju3 s VAL 119 Ca 0.44 -0.60 0.04 0.00 -2.93 0.00 0.00 61.98 58.94 2ju3 s VAL 119 Cb -0.19 -2.57 -0.01 0.00 -1.53 0.00 0.00 36.38 32.09 2ju3 s VAL 119 CO 0.20 0.50 -0.14 -0.47 -3.33 0.00 0.00 175.10 171.86 2ju3 s TYR 120 N -0.90 1.32 0.05 1.54 5.04 0.27 -4.67 117.35 120.00 2ju3 s TYR 120 Ca 0.15 -0.27 0.04 0.00 -2.44 0.00 0.00 57.07 54.55 2ju3 s TYR 120 Cb -0.11 -0.86 -0.02 0.00 0.35 0.00 0.00 41.96 41.32 2ju3 s TYR 120 CO 0.04 -0.04 -0.12 0.21 -1.34 0.00 0.00 175.55 174.30 2ju3 s LYS 121 N -0.27 0.80 0.01 4.97 2.36 -0.90 0.19 119.74 126.91 2ju3 s LYS 121 Ca 0.04 -0.77 0.01 0.00 -2.55 0.00 0.00 55.97 52.70 2ju3 s LYS 121 Cb -0.06 -0.77 -0.01 0.00 -1.05 0.00 0.00 37.83 35.94 2ju3 s LYS 121 CO -0.00 0.18 -0.05 1.03 1.55 0.00 0.00 175.35 178.06 2ju3 s ARG 122 N -1.30 0.38 -0.23 4.03 0.52 0.20 -0.23 118.95 122.32 2ju3 s ARG 122 Ca -0.01 -0.31 0.00 0.00 -0.52 0.00 0.00 55.73 54.89 2ju3 s ARG 122 Cb -0.08 -0.30 0.03 0.00 0.52 0.00 0.00 34.95 35.12 2ju3 s ARG 122 CO 0.01 0.07 -0.12 0.08 0.02 0.00 0.00 175.30 175.37 2ju3 s VAL 123 N -0.46 2.49 -0.18 3.52 1.01 0.47 0.15 120.40 127.40 2ju3 s VAL 123 Ca -0.02 -1.10 -0.09 0.00 0.00 0.00 0.00 61.98 60.77 2ju3 s VAL 123 Cb -0.04 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 2ju3 s VAL 123 CO -0.00 0.27 0.11 -0.44 0.00 0.00 0.00 175.10 175.04 2ju3 s SER 124 N 1.27 6.05 0.02 3.32 0.01 0.28 0.18 113.70 124.82 2ju3 s SER 124 Ca 0.00 0.21 0.06 0.00 1.31 0.00 0.00 55.95 57.53 2ju3 s SER 124 Cb -0.16 -2.04 -0.03 0.00 0.21 0.00 0.00 66.02 64.00 2ju3 s SER 124 CO -0.07 0.21 -0.16 -0.75 0.41 0.00 0.00 173.24 172.87 2ju3 s LYS 125 N 0.19 2.21 0.28 12.44 2.36 0.12 0.10 119.74 137.44 2ju3 s LYS 125 Ca 0.07 -0.90 -0.29 0.00 -2.55 0.00 0.00 55.97 52.30 2ju3 s LYS 125 Cb -0.11 -2.25 -0.10 0.00 -1.05 0.00 0.00 37.83 34.31 2ju3 s LYS 125 CO -0.01 0.56 1.37 -0.98 1.55 0.00 0.00 175.35 177.84 2ju3 s ARG 126 N -1.28 4.32 0.00 4.03 1.70 -1.18 -0.57 118.95 125.97 2ju3 s ARG 126 Ca 0.14 2.24 0.21 0.00 -0.47 0.00 0.00 55.73 57.85 2ju3 s ARG 126 Cb -0.11 -3.10 0.17 0.00 -0.57 0.00 0.00 34.95 31.34 2ju3 s ARG 126 CO 0.04 -0.30 1.17 0.44 -1.08 0.00 0.00 175.30 175.57