#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 6.04 0.02 7.83 0.01 -1.26 -4.93 114.94 122.65 2ju3 s ASN 2 Ca 0.00 -2.36 -0.13 0.00 -0.71 0.00 0.00 52.86 49.66 2ju3 s ASN 2 Cb 0.00 -2.08 -0.07 0.00 0.41 0.00 0.00 41.25 39.51 2ju3 s ASN 2 CO 0.00 -0.61 1.10 -0.26 -1.51 0.00 0.00 177.10 175.82 2ju3 h PHE 3 N 7.99 -0.44 -4.65 2.20 0.04 -1.92 -3.48 116.94 116.68 2ju3 h PHE 3 Ca -0.08 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.68 2ju3 h PHE 3 Cb 1.04 0.15 -0.01 0.00 2.20 0.00 0.00 35.95 39.32 2ju3 h PHE 3 CO 0.80 -0.28 -0.78 -1.13 -0.60 0.00 0.00 178.31 176.32 2ju3 n SER 4 N -3.40 -6.36 0.00 2.17 3.41 -1.23 -4.99 113.62 103.22 2ju3 n SER 4 Ca -0.06 1.59 0.00 0.00 -0.26 0.00 0.00 58.87 60.14 2ju3 n SER 4 Cb 0.19 -4.23 0.00 0.00 -0.26 0.00 0.00 64.21 59.90 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 1.91 -0.84 3.83 5.00 0.00 0.23 -4.94 105.19 110.37 2ju3 n GLY 5 Ca -0.04 -1.05 -0.38 0.00 0.00 0.00 0.00 46.02 44.55 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 3.87 -0.14 1.61 2.47 -1.26 0.27 119.74 124.56 2ju3 s LYS 6 Ca 0.00 0.31 -0.01 0.00 -1.56 0.00 0.00 55.97 54.71 2ju3 s LYS 6 Cb 0.00 -3.23 0.04 0.00 -1.46 0.00 0.00 37.83 33.17 2ju3 s LYS 6 CO 0.00 0.66 -0.04 0.71 0.16 0.00 0.00 175.35 176.85 2ju3 s TYR 7 N -0.93 1.38 -0.15 4.03 1.51 0.32 -2.97 117.35 120.55 2ju3 s TYR 7 Ca 0.22 -0.82 -0.19 0.00 -1.01 0.00 0.00 57.07 55.27 2ju3 s TYR 7 Cb -0.16 -1.17 -0.04 0.00 -0.11 0.00 0.00 41.96 40.49 2ju3 s TYR 7 CO 0.11 -0.54 0.52 1.14 -1.11 0.00 0.00 175.55 175.67 2ju3 s GLN 8 N 1.74 4.28 0.08 -0.62 -2.07 0.74 -0.79 119.66 123.02 2ju3 s GLN 8 Ca 0.02 0.48 -0.31 0.00 -1.82 0.00 0.00 55.36 53.74 2ju3 s GLN 8 Cb -0.14 -3.50 -0.09 0.00 -1.09 0.00 0.00 33.01 28.19 2ju3 s GLN 8 CO -0.07 -0.00 1.64 0.08 -1.32 0.00 0.00 175.29 175.62 2ju3 s VAL 9 N 1.15 2.97 0.00 3.63 1.01 -1.00 0.21 120.40 128.37 2ju3 s VAL 9 Ca 0.26 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.72 2ju3 s VAL 9 Cb -0.15 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.92 2ju3 s VAL 9 CO 0.11 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.21 2ju3 n GLN 10 N 5.38 0.00 -2.51 2.72 6.02 0.63 -4.57 117.38 125.04 2ju3 n GLN 10 Ca 0.16 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.72 2ju3 n GLN 10 Cb 0.40 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.64 2ju3 n GLN 10 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2ju3 s SER 11 N -0.77 7.08 0.14 1.08 0.01 -0.93 -3.71 113.70 116.60 2ju3 s SER 11 Ca 0.00 1.72 0.07 0.00 1.31 0.00 0.00 55.95 59.06 2ju3 s SER 11 Cb 0.00 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 2ju3 s SER 11 CO 0.00 -0.58 -0.17 -1.10 0.41 0.00 0.00 173.24 171.80 2ju3 s GLN 12 N 2.35 1.15 0.10 12.44 1.11 -1.26 0.20 119.66 135.75 2ju3 s GLN 12 Ca 0.54 -1.30 0.01 0.00 0.01 0.00 0.00 55.36 54.62 2ju3 s GLN 12 Cb -0.23 -1.16 -0.04 0.00 -1.01 0.00 0.00 33.01 30.57 2ju3 s GLN 12 CO 0.20 0.24 -0.05 -1.21 0.01 0.00 0.00 175.29 174.47 2ju3 s GLU 13 N -2.62 0.85 -1.63 2.91 2.02 0.71 -4.89 118.70 116.06 2ju3 s GLU 13 Ca 0.12 -1.35 -0.01 0.00 0.02 0.00 0.00 54.97 53.74 2ju3 s GLU 13 Cb -0.06 -0.16 0.00 0.00 0.10 0.00 0.00 34.13 34.01 2ju3 s GLU 13 CO 0.05 -0.05 0.16 0.09 0.02 0.00 0.00 175.26 175.53 2ju3 n ASN 14 N -0.05 -5.65 -0.06 -0.19 4.13 -1.26 -2.21 115.26 109.96 2ju3 n ASN 14 Ca -0.11 -0.07 -0.15 0.00 1.68 0.00 0.00 54.58 55.93 2ju3 n ASN 14 Cb 0.61 -4.68 -0.06 0.00 -1.54 0.00 0.00 39.78 34.11 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 -0.36 0.87 0.81 3.10 3.04 -1.88 -3.07 116.94 119.46 2ju3 h PHE 15 Ca -0.48 -0.33 -0.04 0.00 3.98 0.00 0.00 57.97 61.10 2ju3 h PHE 15 Cb 1.35 -0.16 -0.00 0.00 2.56 0.00 0.00 35.95 39.70 2ju3 h PHE 15 CO 0.58 1.12 -0.48 0.93 -2.02 0.00 0.00 178.31 178.43 2ju3 h GLU 16 N 0.38 -1.16 -0.28 1.11 5.08 -1.89 -0.85 114.58 116.98 2ju3 h GLU 16 Ca -0.00 0.08 0.08 0.00 -1.00 0.00 0.00 59.36 58.52 2ju3 h GLU 16 Cb 1.09 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 2ju3 h GLU 16 CO 0.11 -0.77 0.22 -1.00 -1.00 0.00 0.00 179.01 176.56 2ju3 h PRO 17 N -1.20 0.00 0.04 2.33 0.13 -1.97 1.53 132.00 132.85 2ju3 h PRO 17 Ca -0.11 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.02 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 0.12 0.00 -0.02 0.35 -0.23 0.00 0.00 178.00 178.23 2ju3 h PHE 18 N 0.00 -0.05 -0.09 1.56 3.57 -1.39 -1.79 116.94 118.75 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 0.56 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 2ju3 h PHE 18 CO 0.00 0.59 -0.43 0.52 -2.23 0.00 0.00 178.31 176.76 2ju3 h MET 19 N -0.75 0.21 -0.20 1.11 2.86 -0.18 0.07 114.93 118.05 2ju3 h MET 19 Ca -0.01 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2ju3 h MET 19 Cb 0.65 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 2ju3 h MET 19 CO 0.01 0.60 0.13 0.87 1.06 0.00 0.00 176.91 179.58 2ju3 h LYS 20 N 0.17 0.26 0.00 1.72 1.57 0.21 0.71 116.57 121.22 2ju3 h LYS 20 Ca 0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ju3 h LYS 20 Cb 0.83 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2ju3 h LYS 20 CO 0.06 0.17 0.00 0.00 -0.57 0.00 0.00 179.45 179.12 2ju3 h ALA 21 N 1.08 1.00 -0.00 3.86 0.00 -1.10 0.54 119.26 124.64 2ju3 h ALA 21 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2ju3 h ALA 21 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2ju3 h ALA 21 CO -0.02 0.00 -0.01 -1.33 0.00 0.00 0.00 179.25 177.90 2ju3 n MET 22 N -2.90 0.12 0.00 0.00 2.81 -0.01 -4.88 117.12 112.26 2ju3 n MET 22 Ca 0.02 -0.00 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 1.44 1.22 3.70 3.03 0.00 0.17 -5.02 105.19 109.74 2ju3 n GLY 23 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 4.24 0.61 0.99 2.96 0.22 -4.96 118.68 122.74 2ju3 s LEU 24 Ca 0.00 0.83 -0.17 0.00 -0.22 0.00 0.00 54.13 54.57 2ju3 s LEU 24 Cb 0.00 -2.77 -0.03 0.00 0.50 0.00 0.00 46.19 43.90 2ju3 s LEU 24 CO 0.00 -0.09 1.12 -2.16 -1.32 0.00 0.00 176.35 173.90 2ju3 s PRO 25 N 1.02 3.05 0.28 0.98 0.04 -1.26 -3.92 135.00 135.20 2ju3 s PRO 25 Ca 0.27 1.49 0.03 0.00 0.04 0.00 0.00 61.00 62.83 2ju3 s PRO 25 Cb -0.16 -1.98 0.64 0.00 0.04 0.00 0.00 34.50 33.05 2ju3 s PRO 25 CO 0.11 -1.07 1.77 1.05 0.04 0.00 0.00 177.00 178.91 2ju3 h GLU 26 N 0.56 0.70 -0.49 4.56 9.09 -1.97 0.70 114.58 127.74 2ju3 h GLU 26 Ca -0.48 -0.04 -0.04 0.00 0.05 0.00 0.00 59.36 58.85 2ju3 h GLU 26 Cb 1.25 -0.16 -0.02 0.00 -1.65 0.00 0.00 28.75 28.18 2ju3 h GLU 26 CO 0.55 0.46 0.16 0.22 0.05 0.00 0.00 179.01 180.46 2ju3 h ASP 27 N 0.72 0.70 0.52 3.06 3.58 -1.99 0.31 116.42 123.32 2ju3 h ASP 27 Ca 0.53 -0.20 -0.16 0.00 0.42 0.00 0.00 57.03 57.62 2ju3 h ASP 27 Cb 0.77 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.62 2ju3 h ASP 27 CO -0.37 0.72 -0.70 -0.07 -2.88 0.00 0.00 179.24 175.94 2ju3 h LEU 28 N 0.66 0.18 -0.48 2.28 3.38 -1.59 -2.92 115.31 116.81 2ju3 h LEU 28 Ca 0.16 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.04 2ju3 h LEU 28 Cb 0.26 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 2ju3 h LEU 28 CO -0.01 0.82 0.27 0.40 0.09 0.00 0.00 178.44 180.01 2ju3 h ILE 29 N 0.10 1.02 0.00 1.22 1.08 0.93 -2.07 117.51 119.79 2ju3 h ILE 29 Ca -0.02 -0.19 -0.01 0.00 -0.39 0.00 0.00 64.86 64.26 2ju3 h ILE 29 Cb 1.24 0.43 -0.00 0.00 -3.07 0.00 0.00 36.82 35.42 2ju3 h ILE 29 CO 0.10 0.10 -0.06 1.56 -0.69 0.00 0.00 178.15 179.16 2ju3 h GLN 30 N 0.54 0.00 0.00 2.37 4.20 -0.21 0.68 115.11 122.68 2ju3 h GLN 30 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2ju3 h GLN 30 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2ju3 h GLN 30 CO -0.11 0.06 -0.68 1.63 -0.67 0.00 0.00 178.83 179.07 2ju3 n LYS 31 N -3.55 0.17 -0.01 1.46 5.02 -0.83 -3.96 118.16 116.47 2ju3 n LYS 31 Ca -0.02 0.03 0.03 0.00 -2.02 0.00 0.00 58.31 56.33 2ju3 n LYS 31 Cb 0.18 -1.59 -0.05 0.00 -0.02 0.00 0.00 35.03 33.56 2ju3 n LYS 31 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ju3 n GLY 32 N 1.41 -0.29 0.32 0.72 0.00 -0.65 -4.79 105.19 101.92 2ju3 n GLY 32 Ca 0.04 -0.15 0.15 0.00 0.00 0.00 0.00 46.02 46.06 2ju3 n GLY 32 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2ju3 h LYS 33 N 0.00 0.00 -0.02 1.61 2.10 0.20 -1.03 116.57 119.43 2ju3 h LYS 33 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2ju3 h LYS 33 Cb 0.39 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 2ju3 h LYS 33 CO 0.00 0.00 -0.20 -0.40 -2.00 0.00 0.00 179.45 176.86 2ju3 n ASP 34 N -4.11 2.20 -4.74 7.07 5.75 -1.26 -4.81 116.55 116.65 2ju3 n ASP 34 Ca 0.01 -1.60 -0.40 0.00 -0.01 0.00 0.00 54.79 52.79 2ju3 n ASP 34 Cb 0.29 0.24 -0.05 0.00 -1.03 0.00 0.00 41.12 40.56 2ju3 n ASP 34 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2ju3 s ILE 35 N -1.88 4.15 0.00 2.12 1.09 -0.39 -4.95 121.20 121.34 2ju3 s ILE 35 Ca 0.19 2.00 0.00 0.00 -1.10 0.00 0.00 60.65 61.74 2ju3 s ILE 35 Cb 0.16 -4.27 0.00 0.00 -1.06 0.00 0.00 42.46 37.28 2ju3 s ILE 35 CO 0.36 0.41 0.00 0.29 -0.10 0.00 0.00 174.94 175.90 2ju3 n LYS 36 N 1.97 0.00 0.00 2.79 4.01 -1.26 -4.84 118.16 120.83 2ju3 n LYS 36 Ca -0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2ju3 n LYS 36 Cb 0.47 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.99 2ju3 n LYS 36 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2ju3 n GLY 37 N 2.28 0.72 3.63 0.72 0.00 -1.23 -0.70 105.19 110.61 2ju3 n GLY 37 Ca 0.00 -2.16 -0.34 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.90 4.71 0.11 1.61 1.01 -1.23 -2.37 120.40 123.33 2ju3 s VAL 38 Ca 0.00 -0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.00 2ju3 s VAL 38 Cb 0.00 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 2ju3 s VAL 38 CO 0.00 0.48 -0.16 -0.44 0.00 0.00 0.00 175.10 174.98 2ju3 s SER 39 N 0.25 4.02 -0.03 3.32 0.01 0.03 -0.69 113.70 120.61 2ju3 s SER 39 Ca 0.03 -0.51 0.03 0.00 1.31 0.00 0.00 55.95 56.82 2ju3 s SER 39 Cb -0.12 -0.63 -0.00 0.00 0.21 0.00 0.00 66.02 65.48 2ju3 s SER 39 CO 0.01 0.18 -0.13 -0.70 0.41 0.00 0.00 173.24 173.01 2ju3 s GLU 40 N -2.11 1.30 -0.20 12.44 2.12 0.27 0.12 118.70 132.64 2ju3 s GLU 40 Ca 0.19 -0.45 0.01 0.00 0.36 0.00 0.00 54.97 55.07 2ju3 s GLU 40 Cb -0.11 -1.18 0.04 0.00 0.26 0.00 0.00 34.13 33.15 2ju3 s GLU 40 CO 0.11 0.19 -0.10 0.42 -0.54 0.00 0.00 175.26 175.34 2ju3 s ILE 41 N 0.06 1.65 -0.04 -3.70 -1.09 0.14 -1.03 121.20 117.18 2ju3 s ILE 41 Ca -0.02 -1.02 0.06 0.00 -2.23 0.00 0.00 60.65 57.44 2ju3 s ILE 41 Cb -0.09 -1.72 -0.01 0.00 -1.58 0.00 0.00 42.46 39.05 2ju3 s ILE 41 CO 0.01 0.16 -0.21 -0.69 -1.23 0.00 0.00 174.94 172.98 2ju3 s VAL 42 N 1.39 1.74 -0.15 2.92 1.01 -0.54 0.75 120.40 127.52 2ju3 s VAL 42 Ca -0.01 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.07 2ju3 s VAL 42 Cb -0.16 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.77 2ju3 s VAL 42 CO -0.08 0.49 -0.19 -2.28 0.00 0.00 0.00 175.10 173.04 2ju3 s HIS 43 N -0.25 2.58 -0.26 5.22 5.04 -1.26 0.22 115.29 126.58 2ju3 s HIS 43 Ca 0.01 -1.42 0.03 0.00 -1.54 0.00 0.00 55.06 52.14 2ju3 s HIS 43 Cb -0.11 -1.79 0.06 0.00 0.04 0.00 0.00 32.58 30.78 2ju3 s HIS 43 CO 0.01 -0.69 -0.10 -1.83 -2.34 0.00 0.00 174.74 169.80 2ju3 s GLU 44 N 1.12 2.12 4.69 2.88 -1.05 0.13 -4.78 118.70 123.80 2ju3 s GLU 44 Ca -0.00 -1.31 0.00 0.00 -0.15 0.00 0.00 54.97 53.51 2ju3 s GLU 44 Cb -0.14 -2.85 0.00 0.00 -0.44 0.00 0.00 34.13 30.70 2ju3 s GLU 44 CO -0.08 -0.59 0.00 0.41 0.95 0.00 0.00 175.26 175.96 2ju3 n GLY 45 N 4.46 0.99 0.13 -3.83 0.00 -1.26 -1.41 105.19 104.28 2ju3 n GLY 45 Ca -0.13 0.37 -0.19 0.00 0.00 0.00 0.00 46.02 46.07 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 0.61 -2.34 1.61 4.01 -1.26 -4.98 118.16 115.81 2ju3 n LYS 46 Ca 0.00 0.16 -0.41 0.00 -0.51 0.00 0.00 58.31 57.54 2ju3 n LYS 46 Cb 0.00 -1.49 -0.03 0.00 -0.51 0.00 0.00 35.03 33.00 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 -2.49 4.46 -0.08 1.97 1.02 -0.50 -2.04 119.74 122.07 2ju3 s LYS 47 Ca -0.34 1.91 0.03 0.00 0.02 0.00 0.00 55.97 57.59 2ju3 s LYS 47 Cb 0.09 -3.24 -0.01 0.00 -0.52 0.00 0.00 37.83 34.14 2ju3 s LYS 47 CO 0.56 -0.16 -0.19 0.08 -0.92 0.00 0.00 175.35 174.72 2ju3 s VAL 48 N 0.17 2.62 -0.31 3.17 1.01 0.74 0.19 120.40 127.99 2ju3 s VAL 48 Ca 0.55 -0.85 -0.23 0.00 0.00 0.00 0.00 61.98 61.45 2ju3 s VAL 48 Cb -0.33 -2.03 -0.00 0.00 0.00 0.00 0.00 36.38 34.02 2ju3 s VAL 48 CO 0.36 0.56 0.75 -0.54 0.00 0.00 0.00 175.10 176.23 2ju3 s LYS 49 N -0.10 3.93 -0.32 2.72 1.02 0.58 -1.52 119.74 126.06 2ju3 s LYS 49 Ca -0.04 0.50 -0.05 0.00 0.02 0.00 0.00 55.97 56.41 2ju3 s LYS 49 Cb -0.14 -3.73 0.04 0.00 -0.52 0.00 0.00 37.83 33.47 2ju3 s LYS 49 CO 0.04 -0.67 0.06 -0.51 -0.92 0.00 0.00 175.35 173.35 2ju3 s LEU 50 N 2.89 4.08 -0.28 3.17 1.02 0.52 -1.46 118.68 128.61 2ju3 s LEU 50 Ca 0.31 -1.12 -0.05 0.00 0.02 0.00 0.00 54.13 53.29 2ju3 s LEU 50 Cb -0.14 -1.81 0.02 0.00 0.02 0.00 0.00 46.19 44.27 2ju3 s LEU 50 CO 0.13 -0.28 0.04 -0.89 0.02 0.00 0.00 176.35 175.36 2ju3 s THR 51 N 1.36 3.59 -0.12 5.49 2.01 -0.20 -0.74 115.64 127.04 2ju3 s THR 51 Ca -0.02 -0.84 0.00 0.00 0.31 0.00 0.00 61.69 61.14 2ju3 s THR 51 Cb -0.19 -2.86 0.02 0.00 0.01 0.00 0.00 72.50 69.48 2ju3 s THR 51 CO 0.01 0.10 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.31 2ju3 s ILE 52 N 1.43 1.19 -0.15 1.82 1.09 0.34 0.96 121.20 127.89 2ju3 s ILE 52 Ca 0.01 -0.40 -0.22 0.00 -1.10 0.00 0.00 60.65 58.94 2ju3 s ILE 52 Cb -0.17 -1.16 -0.03 0.00 -1.06 0.00 0.00 42.46 40.04 2ju3 s ILE 52 CO 0.00 0.39 0.67 -0.89 -0.10 0.00 0.00 174.94 175.02 2ju3 s THR 53 N 1.51 5.02 -0.51 2.92 2.01 0.13 0.02 115.64 126.74 2ju3 s THR 53 Ca 0.02 1.32 -0.05 0.00 0.31 0.00 0.00 61.69 63.29 2ju3 s THR 53 Cb -0.13 -4.00 0.13 0.00 0.01 0.00 0.00 72.50 68.52 2ju3 s THR 53 CO -0.07 0.15 0.34 -0.31 -0.69 0.00 0.00 174.62 174.04 2ju3 s TYR 54 N 1.55 3.50 0.00 4.92 1.51 0.24 -3.51 117.35 125.57 2ju3 s TYR 54 Ca 0.33 -2.32 0.00 0.00 -1.01 0.00 0.00 57.07 54.06 2ju3 s TYR 54 Cb -0.16 -3.33 0.00 0.00 -0.11 0.00 0.00 41.96 38.36 2ju3 s TYR 54 CO 0.13 -0.94 0.00 0.41 -1.11 0.00 0.00 175.55 174.03 2ju3 n GLY 55 N 4.34 0.61 0.00 0.71 0.00 0.12 -2.57 105.19 108.40 2ju3 n GLY 55 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 1.60 0.00 -4.86 1.61 3.41 -1.26 -4.94 113.62 109.19 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 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 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 -1.00 3.92 -0.16 4.33 2.47 -1.06 -5.06 119.74 123.18 2ju3 s LYS 57 Ca 0.00 0.68 0.00 0.00 -1.56 0.00 0.00 55.97 55.09 2ju3 s LYS 57 Cb 0.00 -2.34 0.03 0.00 -1.46 0.00 0.00 37.83 34.06 2ju3 s LYS 57 CO 0.00 -0.02 -0.13 0.08 0.16 0.00 0.00 175.35 175.44 2ju3 s VAL 58 N -2.28 1.57 -0.27 4.02 1.01 -1.26 0.83 120.40 124.01 2ju3 s VAL 58 Ca 0.55 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 61.71 2ju3 s VAL 58 Cb -0.10 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 2ju3 s VAL 58 CO 0.25 0.39 0.21 -0.63 0.00 0.00 0.00 175.10 175.33 2ju3 s ILE 59 N 1.48 5.30 -0.19 2.22 1.01 0.10 -4.91 121.20 126.21 2ju3 s ILE 59 Ca 0.04 0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.93 2ju3 s ILE 59 Cb -0.13 -3.55 0.02 0.00 0.01 0.00 0.00 42.46 38.81 2ju3 s ILE 59 CO -0.10 0.25 -0.19 -2.28 0.00 0.00 0.00 174.94 172.62 2ju3 s HIS 60 N 1.71 2.82 -0.11 3.97 2.46 -1.26 -0.50 115.29 124.37 2ju3 s HIS 60 Ca 0.08 -1.72 -0.09 0.00 0.47 0.00 0.00 55.06 53.80 2ju3 s HIS 60 Cb -0.16 -1.91 0.03 0.00 -0.13 0.00 0.00 32.58 30.41 2ju3 s HIS 60 CO 0.10 -0.81 0.29 -0.80 -2.47 0.00 0.00 174.74 171.05 2ju3 s ASN 61 N 1.27 -0.31 -0.15 9.88 0.01 0.08 -4.88 114.94 120.84 2ju3 s ASN 61 Ca 0.03 0.60 -0.09 0.00 -0.71 0.00 0.00 52.86 52.69 2ju3 s ASN 61 Cb -0.14 0.57 -0.05 0.00 0.41 0.00 0.00 41.25 42.05 2ju3 s ASN 61 CO -0.12 -0.12 0.16 -1.61 -1.51 0.00 0.00 177.10 173.90 2ju3 s GLU 62 N 0.42 3.85 0.01 -0.60 8.01 -1.26 -0.36 118.70 128.78 2ju3 s GLU 62 Ca -0.02 -0.13 0.08 0.00 0.01 0.00 0.00 54.97 54.91 2ju3 s GLU 62 Cb -0.04 -3.31 -0.03 0.00 -4.31 0.00 0.00 34.13 26.44 2ju3 s GLU 62 CO -0.02 0.52 -0.24 -0.59 0.01 0.00 0.00 175.26 174.94 2ju3 s PHE 63 N -0.30 2.40 -0.16 1.61 -0.12 -0.58 -4.81 117.98 116.02 2ju3 s PHE 63 Ca 0.12 -0.37 -0.19 0.00 -0.05 0.00 0.00 56.93 56.44 2ju3 s PHE 63 Cb -0.12 -1.47 -0.04 0.00 -0.63 0.00 0.00 43.02 40.77 2ju3 s PHE 63 CO 0.02 0.09 0.52 0.99 -0.05 0.00 0.00 175.22 176.79 2ju3 s THR 64 N -0.75 5.13 -0.09 -4.49 2.01 -1.26 -0.19 115.64 116.00 2ju3 s THR 64 Ca 0.12 1.00 -0.29 0.00 0.31 0.00 0.00 61.69 62.83 2ju3 s THR 64 Cb -0.10 -3.85 -0.07 0.00 0.01 0.00 0.00 72.50 68.49 2ju3 s THR 64 CO 0.01 0.23 2.02 -0.76 -0.69 0.00 0.00 174.62 175.44 2ju3 s LEU 65 N 1.22 3.99 -1.48 4.42 2.01 -0.87 -1.17 118.68 126.80 2ju3 s LEU 65 Ca 0.26 2.25 0.00 0.00 0.01 0.00 0.00 54.13 56.65 2ju3 s LEU 65 Cb -0.15 -3.52 0.00 0.00 0.01 0.00 0.00 46.19 42.52 2ju3 s LEU 65 CO 0.10 -1.43 0.00 0.61 1.01 0.00 0.00 176.35 176.65 2ju3 n GLY 66 N 5.02 0.78 3.04 -3.19 0.00 0.45 -4.92 105.19 106.37 2ju3 n GLY 66 Ca 0.24 -0.28 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.92 0.63 -0.04 1.61 2.56 -0.32 -4.93 118.70 114.30 2ju3 s GLU 67 Ca 0.00 -0.49 -0.30 0.00 0.00 0.00 0.00 54.97 54.18 2ju3 s GLU 67 Cb 0.00 -0.56 -0.05 0.00 2.00 0.00 0.00 34.13 35.52 2ju3 s GLU 67 CO 0.00 0.14 1.40 -2.00 -0.56 0.00 0.00 175.26 174.24 2ju3 s GLU 68 N -0.73 4.27 0.21 4.30 2.12 -1.26 -3.77 118.70 123.83 2ju3 s GLU 68 Ca -0.01 1.93 0.09 0.00 0.36 0.00 0.00 54.97 57.34 2ju3 s GLU 68 Cb -0.06 -3.65 -0.05 0.00 0.26 0.00 0.00 34.13 30.63 2ju3 s GLU 68 CO 0.00 -0.62 -0.17 0.00 -0.54 0.00 0.00 175.26 173.93 2ju3 s GLU 70 N -3.39 4.08 -0.23 0.00 2.02 -1.26 0.12 118.70 120.03 2ju3 s GLU 70 Ca 0.23 -0.25 -0.08 0.00 0.02 0.00 0.00 54.97 54.88 2ju3 s GLU 70 Cb -0.03 -3.54 -0.04 0.00 0.10 0.00 0.00 34.13 30.62 2ju3 s GLU 70 CO 0.09 0.06 0.10 -0.51 0.02 0.00 0.00 175.26 175.01 2ju3 s LEU 71 N 1.06 3.73 -0.19 1.80 2.01 0.18 -4.85 118.68 122.43 2ju3 s LEU 71 Ca 0.08 -0.05 -0.09 0.00 0.01 0.00 0.00 54.13 54.08 2ju3 s LEU 71 Cb -0.14 -1.99 -0.05 0.00 0.01 0.00 0.00 46.19 44.03 2ju3 s LEU 71 CO 0.05 0.04 0.10 -0.70 1.01 0.00 0.00 176.35 176.85 2ju3 s GLU 72 N 1.18 4.10 0.30 1.70 2.12 -1.26 0.10 118.70 126.94 2ju3 s GLU 72 Ca 0.05 -0.27 -0.01 0.00 0.36 0.00 0.00 54.97 55.10 2ju3 s GLU 72 Cb -0.14 -3.34 0.06 0.00 0.26 0.00 0.00 34.13 30.96 2ju3 s GLU 72 CO 0.04 0.28 0.41 0.25 -0.54 0.00 0.00 175.26 175.70 2ju3 n THR 73 N 3.55 0.00 0.81 -1.70 -2.24 -0.82 -4.80 114.28 109.08 2ju3 n THR 73 Ca -0.16 -0.57 0.09 0.00 -2.27 0.00 0.00 64.05 61.14 2ju3 n THR 73 Cb 0.52 -1.29 0.46 0.00 -2.10 0.00 0.00 70.33 67.92 2ju3 n THR 73 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2ju3 n MET 74 N -1.77 0.16 0.01 -0.78 1.56 -1.26 -2.26 117.12 112.77 2ju3 n MET 74 Ca 0.06 0.13 0.11 0.00 -0.27 0.00 0.00 57.70 57.74 2ju3 n MET 74 Cb 0.23 -1.50 0.04 0.00 2.15 0.00 0.00 33.22 34.14 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 -1.38 0.05 0.00 1.12 -2.24 -1.26 -4.94 114.28 105.64 2ju3 n THR 75 Ca 0.07 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2ju3 n THR 75 Cb 0.19 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 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 1.45 3.37 3.69 3.38 0.00 -0.96 -5.03 105.19 111.10 2ju3 n GLY 76 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.74 4.41 -0.08 1.61 -6.30 -1.26 -4.69 118.70 111.65 2ju3 s GLU 77 Ca 0.00 1.55 -0.00 0.00 -2.50 0.00 0.00 54.97 54.02 2ju3 s GLU 77 Cb 0.00 -3.51 -0.03 0.00 0.00 0.00 0.00 34.13 30.59 2ju3 s GLU 77 CO 0.00 -0.32 -0.05 0.21 0.02 0.00 0.00 175.26 175.12 2ju3 s LYS 78 N 1.85 2.90 -0.02 4.30 2.20 -1.26 -1.93 119.74 127.77 2ju3 s LYS 78 Ca 0.53 -0.51 0.04 0.00 -0.36 0.00 0.00 55.97 55.67 2ju3 s LYS 78 Cb -0.22 -2.67 -0.00 0.00 -1.51 0.00 0.00 37.83 33.42 2ju3 s LYS 78 CO 0.22 0.63 -0.13 0.54 -0.36 0.00 0.00 175.35 176.26 2ju3 s VAL 79 N -0.72 1.05 -0.03 4.02 0.11 0.12 -4.88 120.40 120.07 2ju3 s VAL 79 Ca 0.11 -0.54 -0.30 0.00 -2.93 0.00 0.00 61.98 58.33 2ju3 s VAL 79 Cb -0.11 -0.90 -0.07 0.00 -1.53 0.00 0.00 36.38 33.77 2ju3 s VAL 79 CO 0.02 0.31 1.82 -0.54 -3.33 0.00 0.00 175.10 173.37 2ju3 s LYS 80 N -0.09 4.08 0.01 1.54 1.02 -1.26 0.52 119.74 125.56 2ju3 s LYS 80 Ca 0.01 2.33 0.00 0.00 0.02 0.00 0.00 55.97 58.33 2ju3 s LYS 80 Cb -0.07 -4.09 -0.01 0.00 -0.52 0.00 0.00 37.83 33.14 2ju3 s LYS 80 CO 0.00 -0.99 -0.02 0.00 -0.92 0.00 0.00 175.35 173.42 2ju3 s ALA 81 N 4.52 0.12 -0.28 5.17 0.00 0.32 -4.90 121.76 126.71 2ju3 s ALA 81 Ca 0.81 -0.32 -0.10 0.00 0.00 0.00 0.00 51.96 52.35 2ju3 s ALA 81 Cb -0.37 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 2ju3 s ALA 81 CO 0.35 -0.06 0.16 0.08 0.00 0.00 0.00 175.76 176.28 2ju3 s VAL 82 N -0.73 4.94 -0.18 0.00 1.01 -1.26 -0.32 120.40 123.87 2ju3 s VAL 82 Ca -0.07 -0.03 -0.08 0.00 0.00 0.00 0.00 61.98 61.79 2ju3 s VAL 82 Cb -0.05 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2ju3 s VAL 82 CO -0.00 0.23 0.09 0.54 0.00 0.00 0.00 175.10 175.96 2ju3 s VAL 83 N 1.70 5.06 0.10 2.92 0.11 -1.25 -3.71 120.40 125.33 2ju3 s VAL 83 Ca 0.06 0.06 -0.04 0.00 -2.93 0.00 0.00 61.98 59.13 2ju3 s VAL 83 Cb -0.16 -3.28 -0.02 0.00 -1.53 0.00 0.00 36.38 31.39 2ju3 s VAL 83 CO 0.08 0.47 0.10 -0.75 -3.33 0.00 0.00 175.10 171.67 2ju3 s LYS 84 N 0.19 0.83 -0.54 1.54 2.20 -0.75 0.17 119.74 123.38 2ju3 s LYS 84 Ca 0.06 -1.19 -0.27 0.00 -0.36 0.00 0.00 55.97 54.21 2ju3 s LYS 84 Cb -0.12 0.28 0.03 0.00 -1.51 0.00 0.00 37.83 36.51 2ju3 s LYS 84 CO -0.00 -0.24 1.08 -1.64 -0.36 0.00 0.00 175.35 174.19 2ju3 s MET 85 N -3.94 3.49 0.02 4.03 -1.94 -1.26 0.77 119.30 120.47 2ju3 s MET 85 Ca 0.12 0.13 0.06 0.00 -1.71 0.00 0.00 55.69 54.29 2ju3 s MET 85 Cb 0.06 -4.00 -0.02 0.00 2.01 0.00 0.00 34.83 32.88 2ju3 s MET 85 CO -0.06 -1.53 -0.18 -2.00 -0.01 0.00 0.00 175.02 171.24 2ju3 s GLU 86 N 4.46 1.26 0.00 2.03 2.12 0.03 -4.61 118.70 123.98 2ju3 s GLU 86 Ca 0.39 -0.78 0.00 0.00 0.36 0.00 0.00 54.97 54.94 2ju3 s GLU 86 Cb -0.09 -1.29 0.00 0.00 0.26 0.00 0.00 34.13 33.01 2ju3 s GLU 86 CO 0.25 0.34 0.00 0.41 -0.54 0.00 0.00 175.26 175.71 2ju3 n GLY 87 N 2.12 0.65 4.06 -1.50 0.00 -1.25 -4.00 105.19 105.28 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 -0.10 1.61 2.03 -1.26 -4.31 116.55 114.52 2ju3 n ASP 88 Ca 0.00 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.21 2ju3 n ASP 88 Cb 0.00 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.24 2ju3 n ASP 88 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2ju3 n ASN 89 N 1.80 0.15 -2.24 1.67 3.02 -1.26 -4.98 115.26 113.42 2ju3 n ASN 89 Ca 0.00 -0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.46 2ju3 n ASN 89 Cb 0.00 0.95 -0.02 0.00 -0.61 0.00 0.00 39.78 40.10 2ju3 n ASN 89 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2ju3 n LYS 90 N -2.75 0.43 -4.11 3.52 5.02 -1.18 -2.87 118.16 116.22 2ju3 n LYS 90 Ca -0.33 -1.74 -0.29 0.00 -2.02 0.00 0.00 58.31 53.94 2ju3 n LYS 90 Cb 1.14 1.67 -0.07 0.00 -0.02 0.00 0.00 35.03 37.75 2ju3 n LYS 90 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2ju3 s MET 91 N -2.50 2.67 -0.12 1.97 -1.94 -0.34 -0.79 119.30 118.24 2ju3 s MET 91 Ca 0.18 -0.85 -0.03 0.00 -1.71 0.00 0.00 55.69 53.28 2ju3 s MET 91 Cb -0.01 -2.58 -0.03 0.00 2.01 0.00 0.00 34.83 34.23 2ju3 s MET 91 CO 0.13 0.52 -0.02 0.08 -0.01 0.00 0.00 175.02 175.73 2ju3 s VAL 92 N -1.47 4.13 -0.05 -6.03 1.01 0.23 -0.74 120.40 117.47 2ju3 s VAL 92 Ca 0.28 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.97 2ju3 s VAL 92 Cb -0.11 -2.77 0.02 0.00 0.00 0.00 0.00 36.38 33.52 2ju3 s VAL 92 CO 0.20 0.54 -0.04 0.28 0.00 0.00 0.00 175.10 176.08 2ju3 s THR 93 N -0.23 0.58 -0.22 3.92 -1.32 0.14 -1.81 115.64 116.70 2ju3 s THR 93 Ca 0.05 -0.12 -0.09 0.00 -1.21 0.00 0.00 61.69 60.33 2ju3 s THR 93 Cb -0.13 -0.62 -0.04 0.00 -1.51 0.00 0.00 72.50 70.20 2ju3 s THR 93 CO 0.02 0.25 0.10 -0.89 -2.21 0.00 0.00 174.62 171.89 2ju3 s THR 94 N 1.12 4.89 -0.07 5.08 2.01 -1.24 -0.89 115.64 126.54 2ju3 s THR 94 Ca -0.08 0.01 -0.17 0.00 0.31 0.00 0.00 61.69 61.77 2ju3 s THR 94 Cb -0.14 -3.26 0.04 0.00 0.01 0.00 0.00 72.50 69.15 2ju3 s THR 94 CO -0.01 0.38 0.40 0.72 -0.69 0.00 0.00 174.62 175.41 2ju3 s PHE 95 N 0.99 -0.34 -1.53 4.92 -0.71 0.14 -4.13 117.98 117.33 2ju3 s PHE 95 Ca 0.05 0.67 0.00 0.00 -1.04 0.00 0.00 56.93 56.62 2ju3 s PHE 95 Cb -0.14 0.16 0.00 0.00 -1.21 0.00 0.00 43.02 41.83 2ju3 s PHE 95 CO 0.03 -0.36 0.00 1.63 -1.34 0.00 0.00 175.22 175.18 2ju3 n LYS 96 N 1.76 -1.51 -0.11 1.99 5.02 -1.26 -0.33 118.16 123.73 2ju3 n LYS 96 Ca -0.18 0.85 0.00 0.00 -2.02 0.00 0.00 58.31 56.96 2ju3 n LYS 96 Cb 0.56 -5.22 0.00 0.00 -0.02 0.00 0.00 35.03 30.36 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 -0.43 1.60 3.90 0.72 0.00 -1.26 -5.03 105.19 104.70 2ju3 n GLY 97 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.70 5.31 -0.26 -0.61 -5.25 0.56 -4.66 121.20 113.59 2ju3 s ILE 98 Ca 0.00 -0.01 -0.02 0.00 -0.99 0.00 0.00 60.65 59.64 2ju3 s ILE 98 Cb 0.00 -3.58 0.03 0.00 2.95 0.00 0.00 42.46 41.86 2ju3 s ILE 98 CO 0.00 0.26 -0.05 -0.54 -1.79 0.00 0.00 174.94 172.82 2ju3 s LYS 99 N -2.08 2.75 -0.17 0.37 3.01 0.76 0.25 119.74 124.62 2ju3 s LYS 99 Ca 0.31 -1.04 -0.01 0.00 -1.01 0.00 0.00 55.97 54.22 2ju3 s LYS 99 Cb -0.13 -3.03 -0.01 0.00 -1.01 0.00 0.00 37.83 33.66 2ju3 s LYS 99 CO 0.20 -0.45 -0.11 0.45 0.51 0.00 0.00 175.35 175.96 2ju3 s SER 100 N 1.31 3.98 -0.12 2.83 0.15 -0.07 0.74 113.70 122.52 2ju3 s SER 100 Ca -0.01 -0.41 -0.05 0.00 0.70 0.00 0.00 55.95 56.18 2ju3 s SER 100 Cb -0.17 -1.64 -0.04 0.00 -1.71 0.00 0.00 66.02 62.46 2ju3 s SER 100 CO -0.04 0.06 0.08 0.68 1.20 0.00 0.00 173.24 175.22 2ju3 s VAL 101 N 0.96 4.97 -0.03 4.45 -7.23 0.38 0.24 120.40 124.14 2ju3 s VAL 101 Ca -0.02 0.01 0.04 0.00 -1.81 0.00 0.00 61.98 60.20 2ju3 s VAL 101 Cb -0.15 -3.15 -0.01 0.00 0.56 0.00 0.00 36.38 33.64 2ju3 s VAL 101 CO -0.01 0.59 -0.15 -0.89 -0.31 0.00 0.00 175.10 174.33 2ju3 s THR 102 N -0.78 1.25 -0.10 5.32 2.01 0.08 0.61 115.64 124.03 2ju3 s THR 102 Ca 0.13 -0.64 0.02 0.00 0.31 0.00 0.00 61.69 61.51 2ju3 s THR 102 Cb -0.12 -1.07 0.01 0.00 0.01 0.00 0.00 72.50 71.34 2ju3 s THR 102 CO 0.03 0.36 -0.16 -0.70 -0.69 0.00 0.00 174.62 173.46 2ju3 s GLU 103 N -0.09 2.28 -0.49 4.92 2.12 0.23 -1.20 118.70 126.47 2ju3 s GLU 103 Ca 0.00 -0.59 -0.14 0.00 0.36 0.00 0.00 54.97 54.60 2ju3 s GLU 103 Cb -0.09 -1.88 0.10 0.00 0.26 0.00 0.00 34.13 32.52 2ju3 s GLU 103 CO 0.01 -0.01 0.41 0.12 -0.54 0.00 0.00 175.26 175.25 2ju3 s PHE 104 N 0.82 3.28 -0.43 5.30 2.19 -1.14 0.19 117.98 128.19 2ju3 s PHE 104 Ca -0.10 -1.22 -0.00 0.00 0.33 0.00 0.00 56.93 55.94 2ju3 s PHE 104 Cb -0.16 -3.38 0.12 0.00 -1.31 0.00 0.00 43.02 38.29 2ju3 s PHE 104 CO 0.01 -0.90 0.20 1.21 1.83 0.00 0.00 175.22 177.57 2ju3 s ASN 105 N 2.87 5.04 1.10 6.13 3.84 0.15 -4.63 114.94 129.43 2ju3 s ASN 105 Ca 0.04 -2.27 0.00 0.00 0.21 0.00 0.00 52.86 50.84 2ju3 s ASN 105 Cb -0.26 -1.76 0.00 0.00 -0.55 0.00 0.00 41.25 38.68 2ju3 s ASN 105 CO 0.04 -0.45 0.00 0.61 -2.79 0.00 0.00 177.10 174.51 2ju3 n GLY 106 N 4.22 0.57 0.71 1.21 0.00 -1.26 -0.23 105.19 110.41 2ju3 n GLY 106 Ca 0.01 0.62 0.08 0.00 0.00 0.00 0.00 46.02 46.73 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 8.32 2.57 -4.35 1.61 8.00 -1.26 -4.98 116.55 126.46 2ju3 n ASP 107 Ca 0.00 -1.75 -0.22 0.00 0.71 0.00 0.00 54.79 53.53 2ju3 n ASP 107 Cb 0.00 -0.07 -0.11 0.00 -0.02 0.00 0.00 41.12 40.92 2ju3 n ASP 107 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2ju3 s THR 108 N -1.29 1.90 -0.02 -3.53 2.01 0.67 -1.14 115.64 114.24 2ju3 s THR 108 Ca 0.22 -2.00 0.04 0.00 0.31 0.00 0.00 61.69 60.26 2ju3 s THR 108 Cb 0.15 -1.93 -0.00 0.00 0.01 0.00 0.00 72.50 70.72 2ju3 s THR 108 CO 0.21 -0.35 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.03 2ju3 s ILE 109 N -2.18 1.10 -0.28 1.82 1.01 0.50 0.30 121.20 123.47 2ju3 s ILE 109 Ca 0.18 -0.56 -0.06 0.00 0.00 0.00 0.00 60.65 60.21 2ju3 s ILE 109 Cb -0.05 -0.94 0.01 0.00 0.01 0.00 0.00 42.46 41.49 2ju3 s ILE 109 CO 0.07 0.32 0.05 -0.89 0.00 0.00 0.00 174.94 174.50 2ju3 s THR 110 N -0.07 3.74 -0.29 2.92 2.01 0.13 0.76 115.64 124.83 2ju3 s THR 110 Ca 0.00 -0.75 -0.09 0.00 0.31 0.00 0.00 61.69 61.17 2ju3 s THR 110 Cb -0.08 -2.92 -0.01 0.00 0.01 0.00 0.00 72.50 69.50 2ju3 s THR 110 CO 0.00 0.11 0.12 0.21 -0.69 0.00 0.00 174.62 174.38 2ju3 s ASN 111 N 1.47 5.40 -0.20 3.53 3.84 0.32 0.76 114.94 130.05 2ju3 s ASN 111 Ca 0.02 -0.47 0.00 0.00 0.21 0.00 0.00 52.86 52.63 2ju3 s ASN 111 Cb -0.17 -1.97 0.02 0.00 -0.55 0.00 0.00 41.25 38.59 2ju3 s ASN 111 CO 0.01 -0.15 -0.16 -0.89 -2.79 0.00 0.00 177.10 173.12 2ju3 s THR 112 N 1.60 2.30 -0.10 -5.21 2.01 0.20 0.62 115.64 117.07 2ju3 s THR 112 Ca 0.05 -0.98 -0.05 0.00 0.31 0.00 0.00 61.69 61.02 2ju3 s THR 112 Cb -0.17 -2.05 -0.04 0.00 0.01 0.00 0.00 72.50 70.26 2ju3 s THR 112 CO 0.05 0.42 0.09 -0.32 -0.69 0.00 0.00 174.62 174.17 2ju3 s MET 113 N 1.29 3.25 -0.19 4.92 1.75 0.51 0.14 119.30 130.97 2ju3 s MET 113 Ca 0.03 -0.26 0.00 0.00 -1.25 0.00 0.00 55.69 54.21 2ju3 s MET 113 Cb -0.14 -3.02 0.05 0.00 2.84 0.00 0.00 34.83 34.55 2ju3 s MET 113 CO -0.10 0.74 -0.06 0.99 -0.65 0.00 0.00 175.02 175.94 2ju3 s THR 114 N -1.00 1.32 -0.37 10.11 2.01 0.23 0.94 115.64 128.87 2ju3 s THR 114 Ca 0.15 -0.86 -0.06 0.00 0.31 0.00 0.00 61.69 61.24 2ju3 s THR 114 Cb -0.12 -1.50 0.07 0.00 0.01 0.00 0.00 72.50 70.96 2ju3 s THR 114 CO 0.05 0.07 0.16 -0.22 -0.69 0.00 0.00 174.62 173.99 2ju3 s LEU 115 N 1.53 4.72 0.00 4.42 0.20 0.12 -0.17 118.68 129.49 2ju3 s LEU 115 Ca -0.01 -1.46 0.00 0.00 0.69 0.00 0.00 54.13 53.35 2ju3 s LEU 115 Cb -0.16 -1.88 0.00 0.00 -0.43 0.00 0.00 46.19 43.72 2ju3 s LEU 115 CO -0.08 -0.43 0.00 0.61 -0.29 0.00 0.00 176.35 176.17 2ju3 n GLY 116 N 4.78 0.51 0.10 7.98 0.00 -1.26 0.22 105.19 117.51 2ju3 n GLY 116 Ca -0.10 0.35 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 2.08 0.92 -4.72 1.61 2.03 -1.26 -4.93 116.55 112.28 2ju3 n ASP 117 Ca 0.00 0.22 -0.41 0.00 0.52 0.00 0.00 54.79 55.12 2ju3 n ASP 117 Cb 0.00 0.08 -0.04 0.00 -0.72 0.00 0.00 41.12 40.44 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 -2.55 4.81 0.00 5.18 -4.36 0.13 -5.05 121.20 119.36 2ju3 s ILE 118 Ca -0.12 1.80 0.03 0.00 -0.26 0.00 0.00 60.65 62.10 2ju3 s ILE 118 Cb 0.07 -4.20 -0.03 0.00 1.25 0.00 0.00 42.46 39.55 2ju3 s ILE 118 CO 0.80 0.27 -0.07 0.54 0.24 0.00 0.00 174.94 176.71 2ju3 s VAL 119 N 0.49 3.60 -0.01 8.37 0.11 -1.26 0.12 120.40 131.82 2ju3 s VAL 119 Ca 0.44 -0.79 0.03 0.00 -2.93 0.00 0.00 61.98 58.73 2ju3 s VAL 119 Cb -0.20 -2.56 -0.01 0.00 -1.53 0.00 0.00 36.38 32.08 2ju3 s VAL 119 CO 0.25 0.40 -0.10 -0.47 -3.33 0.00 0.00 175.10 171.84 2ju3 s TYR 120 N -0.99 0.89 0.02 1.54 5.04 0.27 -4.67 117.35 119.45 2ju3 s TYR 120 Ca 0.17 -0.18 0.02 0.00 -2.44 0.00 0.00 57.07 54.64 2ju3 s TYR 120 Cb -0.11 -0.57 -0.01 0.00 0.35 0.00 0.00 41.96 41.62 2ju3 s TYR 120 CO 0.07 -0.01 -0.07 0.21 -1.34 0.00 0.00 175.55 174.41 2ju3 s LYS 121 N -0.28 0.52 0.01 4.97 2.36 -0.94 0.19 119.74 126.57 2ju3 s LYS 121 Ca 0.04 -0.44 0.01 0.00 -2.55 0.00 0.00 55.97 53.02 2ju3 s LYS 121 Cb -0.04 -0.42 -0.01 0.00 -1.05 0.00 0.00 37.83 36.31 2ju3 s LYS 121 CO -0.00 0.10 -0.03 1.03 1.55 0.00 0.00 175.35 178.00 2ju3 s ARG 122 N -0.73 0.25 -0.23 4.03 0.52 0.20 -0.21 118.95 122.78 2ju3 s ARG 122 Ca -0.02 -0.36 0.02 0.00 -0.52 0.00 0.00 55.73 54.85 2ju3 s ARG 122 Cb -0.05 -0.06 0.04 0.00 0.52 0.00 0.00 34.95 35.40 2ju3 s ARG 122 CO 0.00 0.00 -0.14 0.08 0.02 0.00 0.00 175.30 175.26 2ju3 s VAL 123 N -0.76 2.09 -0.26 3.52 1.01 0.52 0.12 120.40 126.64 2ju3 s VAL 123 Ca -0.07 -1.34 -0.11 0.00 0.00 0.00 0.00 61.98 60.46 2ju3 s VAL 123 Cb -0.05 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 2ju3 s VAL 123 CO -0.00 0.19 0.19 -0.44 0.00 0.00 0.00 175.10 175.04 2ju3 s SER 124 N 1.19 6.08 0.08 3.32 0.01 0.23 0.23 113.70 124.84 2ju3 s SER 124 Ca -0.03 0.06 0.09 0.00 1.31 0.00 0.00 55.95 57.38 2ju3 s SER 124 Cb -0.17 -2.12 -0.04 0.00 0.21 0.00 0.00 66.02 63.90 2ju3 s SER 124 CO -0.08 -0.01 -0.21 -0.75 0.41 0.00 0.00 173.24 172.60 2ju3 s LYS 125 N 1.49 1.83 0.47 12.44 2.36 0.13 0.19 119.74 138.65 2ju3 s LYS 125 Ca 0.08 -1.12 -0.24 0.00 -2.55 0.00 0.00 55.97 52.14 2ju3 s LYS 125 Cb -0.15 -2.09 -0.07 0.00 -1.05 0.00 0.00 37.83 34.48 2ju3 s LYS 125 CO 0.08 0.50 1.30 1.03 1.55 0.00 0.00 175.35 179.81 2ju3 s ARG 126 N -1.74 3.59 0.00 4.03 0.52 -0.29 -0.19 118.95 124.88 2ju3 s ARG 126 Ca 0.15 2.11 0.19 0.00 -0.52 0.00 0.00 55.73 57.66 2ju3 s ARG 126 Cb -0.10 -2.48 0.15 0.00 0.52 0.00 0.00 34.95 33.04 2ju3 s ARG 126 CO 0.06 -0.79 1.09 0.44 0.02 0.00 0.00 175.30 176.13