#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jx3 n THR 2 N 0.00 0.00 0.02 1.97 -1.04 -1.26 -5.01 114.28 108.96 2jx3 n THR 2 Ca 0.00 -1.09 -0.19 0.00 -2.04 0.00 0.00 64.05 60.73 2jx3 n THR 2 Cb 0.00 1.30 -0.14 0.00 -1.82 0.00 0.00 70.33 69.67 2jx3 n THR 2 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2jx3 h ILE 3 N 2.05 0.80 -3.28 12.58 2.04 -1.99 -3.43 117.51 126.29 2jx3 h ILE 3 Ca -0.20 -2.50 -0.63 0.00 1.00 0.00 0.00 64.86 62.54 2jx3 h ILE 3 Cb 1.13 2.58 -0.40 0.00 -0.74 0.00 0.00 36.82 39.39 2jx3 h ILE 3 CO 0.07 0.82 -0.68 0.00 0.00 0.00 0.00 178.15 178.36 2jx3 s ALA 4 N -2.58 2.76 -0.82 1.87 0.00 -1.26 -4.55 121.76 117.18 2jx3 s ALA 4 Ca -0.16 -2.85 0.19 0.00 0.00 0.00 0.00 51.96 49.13 2jx3 s ALA 4 Cb 0.07 -2.01 -0.21 0.00 0.00 0.00 0.00 23.12 20.96 2jx3 s ALA 4 CO 0.81 -1.97 0.77 0.00 0.00 0.00 0.00 175.76 175.37 2jx3 n GLN 5 N 3.51 0.74 -0.35 0.00 0.00 -1.26 -4.54 117.38 115.49 2jx3 n GLN 5 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 57.00 57.04 2jx3 n GLN 5 Cb 0.35 -1.40 0.00 0.00 0.00 0.00 0.00 30.24 29.19 2jx3 n GLN 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jx3 n GLY 6 N 1.44 0.18 0.00 2.61 0.00 -1.26 -4.86 105.19 103.30 2jx3 n GLY 6 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.16 2jx3 n GLY 6 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jx3 n LYS 7 N 0.00 0.22 0.00 1.61 3.00 -1.26 -4.92 118.16 116.80 2jx3 n LYS 7 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 2jx3 n LYS 7 Cb 0.57 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.10 2jx3 n LYS 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2jx3 n GLY 8 N 0.74 2.28 0.00 3.14 0.00 -1.26 -3.39 105.19 106.69 2jx3 n GLY 8 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2jx3 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jx3 n GLN 9 N 0.00 0.97 0.00 1.61 10.64 -1.26 -4.95 117.38 124.40 2jx3 n GLN 9 Ca 0.00 -0.18 0.00 0.00 -1.83 0.00 0.00 57.00 54.99 2jx3 n GLN 9 Cb 0.00 -0.60 0.00 0.00 -0.86 0.00 0.00 30.24 28.78 2jx3 n GLN 9 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 2jx3 n LYS 10 N -0.19 0.00 -0.00 2.61 0.00 -1.22 -1.88 118.16 117.48 2jx3 n LYS 10 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.40 2jx3 n LYS 10 Cb 0.07 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 34.98 2jx3 n LYS 10 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2jx3 n LEU 11 N 0.00 0.46 -0.07 -5.58 0.00 -1.19 -4.45 117.00 106.16 2jx3 n LEU 11 Ca 0.00 -0.27 -0.21 0.00 0.00 0.00 0.00 56.01 55.53 2jx3 n LEU 11 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 43.42 43.30 2jx3 n LEU 11 CO 0.00 0.12 -0.47 0.00 0.00 0.00 0.00 177.39 177.04 2jx3 h GLU 13 N -0.79 -0.07 -6.39 0.00 4.57 -1.61 -3.41 114.58 106.88 2jx3 h GLU 13 Ca -0.32 0.00 -0.51 0.00 -1.18 0.00 0.00 59.36 57.35 2jx3 h GLU 13 Cb 1.42 0.02 0.23 0.00 -0.16 0.00 0.00 28.75 30.26 2jx3 h GLU 13 CO -0.12 -0.05 -1.44 0.44 -1.18 0.00 0.00 179.01 176.65 2jx3 n ILE 14 N -3.11 0.00 -0.01 2.32 -5.35 -1.19 -4.96 119.36 107.05 2jx3 n ILE 14 Ca -0.01 -0.27 -0.03 0.00 -0.27 0.00 0.00 62.75 62.17 2jx3 n ILE 14 Cb 0.06 -0.32 -0.01 0.00 -1.74 0.00 0.00 39.64 37.62 2jx3 n ILE 14 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2jx3 n GLU 15 N 0.22 0.06 -0.06 6.28 -0.58 -1.26 -4.18 120.64 121.11 2jx3 n GLU 15 Ca 0.01 0.02 -0.02 0.00 -0.42 0.00 0.00 57.16 56.76 2jx3 n GLU 15 Cb 0.60 -0.60 -0.02 0.00 -0.57 0.00 0.00 31.44 30.86 2jx3 n GLU 15 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2jx3 h ARG 16 N -0.10 -0.01 -0.10 3.49 3.08 -1.93 1.00 114.38 119.82 2jx3 h ARG 16 Ca -0.07 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.83 2jx3 h ARG 16 Cb 1.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 2jx3 h ARG 16 CO -0.04 -0.01 -0.59 0.97 -1.07 0.00 0.00 179.97 179.23 2jx3 h ILE 17 N -0.01 1.36 0.34 2.04 2.10 -1.92 -2.89 117.51 118.54 2jx3 h ILE 17 Ca 0.02 -1.93 -0.02 0.00 1.08 0.00 0.00 64.86 64.02 2jx3 h ILE 17 Cb 0.07 1.94 0.00 0.00 -1.09 0.00 0.00 36.82 37.74 2jx3 h ILE 17 CO -0.14 0.58 -0.16 -0.74 -1.08 0.00 0.00 178.15 176.61 2jx3 h HIS 18 N 0.26 -0.42 -0.09 2.19 2.76 -1.40 -2.70 115.15 115.74 2jx3 h HIS 18 Ca -0.00 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.18 2jx3 h HIS 18 Cb 1.11 0.14 -0.05 0.00 1.55 0.00 0.00 27.41 30.16 2jx3 h HIS 18 CO 0.03 -0.26 -0.47 0.35 -1.30 0.00 0.00 177.93 176.28 2jx3 h PHE 19 N -0.57 -1.39 -1.09 5.26 3.57 0.89 0.41 116.94 124.01 2jx3 h PHE 19 Ca -0.05 0.05 0.32 0.00 3.53 0.00 0.00 57.97 61.82 2jx3 h PHE 19 Cb 0.35 0.62 -0.04 0.00 2.79 0.00 0.00 35.95 39.66 2jx3 h PHE 19 CO 0.09 -0.48 1.04 0.35 -2.23 0.00 0.00 178.31 177.09 2jx3 h PHE 20 N -0.52 0.00 0.01 0.41 3.04 -1.61 1.03 116.94 119.30 2jx3 h PHE 20 Ca 0.02 0.00 -0.29 0.00 3.98 0.00 0.00 57.97 61.69 2jx3 h PHE 20 Cb 0.59 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 39.06 2jx3 h PHE 20 CO -0.55 0.00 -1.66 -0.07 -2.02 0.00 0.00 178.31 174.01 2jx3 h LEU 21 N 0.00 0.02 0.00 0.59 -0.00 0.04 -3.31 115.31 112.66 2jx3 h LEU 21 Ca 0.52 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 58.35 2jx3 h LEU 21 Cb 2.60 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 43.25 2jx3 h LEU 21 CO -0.01 1.05 0.00 -0.24 -0.00 0.00 0.00 178.44 179.24 2jx3 n SER 22 N -3.10 0.00 0.24 -0.43 2.88 0.35 -3.12 113.62 110.44 2jx3 n SER 22 Ca -0.16 0.01 0.12 0.00 -1.33 0.00 0.00 58.87 57.51 2jx3 n SER 22 Cb 1.04 -0.24 0.66 0.00 -0.75 0.00 0.00 64.21 64.92 2jx3 n SER 22 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2jx3 h LYS 23 N 0.00 0.00 -4.76 -1.46 1.57 -1.59 -3.47 116.57 106.87 2jx3 h LYS 23 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2jx3 h LYS 23 Cb 0.11 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.33 2jx3 h LYS 23 CO 0.00 0.00 -1.33 1.63 -0.57 0.00 0.00 179.45 179.18 2jx3 n LYS 24 N -2.48 -4.53 0.00 3.15 4.01 -1.18 -5.07 118.16 112.06 2jx3 n LYS 24 Ca -0.02 3.39 0.00 0.00 -0.51 0.00 0.00 58.31 61.18 2jx3 n LYS 24 Cb 0.24 -4.72 0.00 0.00 -0.51 0.00 0.00 35.03 30.04 2jx3 n LYS 24 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2jx3 n LYS 25 N 1.64 3.21 0.04 1.97 4.76 -1.26 -5.11 118.16 123.42 2jx3 n LYS 25 Ca -0.28 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.16 2jx3 n LYS 25 Cb 0.43 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.62 2jx3 n LYS 25 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2jx3 n THR 26 N 0.00 0.16 -0.03 -0.18 -2.24 -1.26 -4.71 114.28 106.02 2jx3 n THR 26 Ca 0.00 0.05 -0.14 0.00 -2.27 0.00 0.00 64.05 61.69 2jx3 n THR 26 Cb 0.00 -0.87 -0.09 0.00 -2.10 0.00 0.00 70.33 67.27 2jx3 n THR 26 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2jx3 h ASP 27 N 0.00 0.28 -0.02 3.42 3.58 -1.99 -1.93 116.42 119.76 2jx3 h ASP 27 Ca 0.00 -0.62 0.03 0.00 0.42 0.00 0.00 57.03 56.86 2jx3 h ASP 27 Cb 0.23 -0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.15 2jx3 h ASP 27 CO 0.00 0.85 -0.24 -0.08 -2.88 0.00 0.00 179.24 176.88 2jx3 h GLU 28 N -0.28 -0.36 -0.22 0.28 4.57 -1.92 -0.40 114.58 116.26 2jx3 h GLU 28 Ca -0.01 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2jx3 h GLU 28 Cb 0.82 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.48 2jx3 h GLU 28 CO 0.04 -0.24 0.15 1.25 -1.18 0.00 0.00 179.01 179.03 2jx3 h LEU 29 N -0.37 0.25 -0.20 1.64 7.12 -1.84 -0.29 115.31 121.62 2jx3 h LEU 29 Ca 0.07 -0.01 0.05 0.00 0.13 0.00 0.00 57.88 58.12 2jx3 h LEU 29 Cb 0.46 -0.06 -0.05 0.00 -0.53 0.00 0.00 40.66 40.48 2jx3 h LEU 29 CO -0.23 0.18 -0.13 -0.09 -0.13 0.00 0.00 178.44 178.04 2jx3 h ARG 30 N 0.29 -0.12 0.15 1.25 1.12 -0.24 -0.80 114.38 116.04 2jx3 h ARG 30 Ca 0.08 0.01 -0.30 0.00 -1.11 0.00 0.00 59.98 58.66 2jx3 h ARG 30 Cb -0.03 0.03 0.01 0.00 -0.01 0.00 0.00 29.97 29.97 2jx3 h ARG 30 CO -0.02 -0.08 -1.49 -2.95 -3.11 0.00 0.00 179.97 172.32 2jx3 h ASN 31 N -0.12 0.50 0.08 -3.80 7.08 -1.22 -2.44 115.58 115.65 2jx3 h ASN 31 Ca 0.11 -0.90 0.02 0.00 -3.08 0.00 0.00 56.30 52.46 2jx3 h ASN 31 Cb 0.29 -0.16 -0.04 0.00 -2.08 0.00 0.00 38.32 36.33 2jx3 h ASN 31 CO -0.27 1.67 -0.32 -0.07 -2.08 0.00 0.00 177.43 176.36 2jx3 h LEU 32 N -0.13 -0.92 -0.71 6.14 3.38 -1.03 -1.69 115.31 120.35 2jx3 h LEU 32 Ca -0.30 0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 2jx3 h LEU 32 Cb 1.90 0.36 -0.01 0.00 0.09 0.00 0.00 40.66 43.00 2jx3 h LEU 32 CO 0.12 -0.39 -0.26 -0.74 0.09 0.00 0.00 178.44 177.26 2jx3 h HIS 33 N -0.51 0.00 -0.90 1.13 2.76 -1.31 0.58 115.15 116.90 2jx3 h HIS 33 Ca 0.04 0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.30 2jx3 h HIS 33 Cb 0.56 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.45 2jx3 h HIS 33 CO -0.30 0.26 0.54 0.87 -1.30 0.00 0.00 177.93 178.00 2jx3 h LYS 34 N 0.00 0.89 0.00 5.26 1.57 -0.80 1.10 116.57 124.60 2jx3 h LYS 34 Ca -0.00 -0.05 -0.23 0.00 -1.87 0.00 0.00 60.65 58.50 2jx3 h LYS 34 Cb 0.93 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 33.00 2jx3 h LYS 34 CO 0.03 0.59 -1.81 -0.11 -0.57 0.00 0.00 179.45 177.58 2jx3 n LEU 35 N -4.66 2.18 0.16 2.94 7.94 -1.07 -3.13 117.00 121.36 2jx3 n LEU 35 Ca 0.15 0.03 -0.14 0.00 -1.11 0.00 0.00 56.01 54.94 2jx3 n LEU 35 Cb 0.26 -0.47 -0.07 0.00 0.53 0.00 0.00 43.42 43.68 2jx3 n LEU 35 CO 0.28 0.56 0.65 0.25 -1.11 0.00 0.00 177.39 178.02 2jx3 h LEU 36 N -0.23 -0.89 -1.27 -1.96 5.85 -0.97 -3.17 115.31 112.68 2jx3 h LEU 36 Ca -0.34 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.47 2jx3 h LEU 36 Cb 1.42 0.32 0.00 0.00 0.37 0.00 0.00 40.66 42.77 2jx3 h LEU 36 CO -0.12 -0.43 -0.15 -1.22 -0.34 0.00 0.00 178.44 176.17 2jx3 n TYR 37 N -5.42 0.00 -3.50 1.25 4.02 -0.83 -4.97 117.16 107.71 2jx3 n TYR 37 Ca -0.08 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.55 2jx3 n TYR 37 Cb 0.33 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.66 2jx3 n TYR 37 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2jx3 n ASN 38 N 0.41 -4.53 -3.67 7.72 5.15 0.37 -4.93 115.26 115.77 2jx3 n ASN 38 Ca 0.08 -0.51 -0.16 0.00 -0.60 0.00 0.00 54.58 53.38 2jx3 n ASN 38 Cb 0.37 -3.68 -0.09 0.00 -0.53 0.00 0.00 39.78 35.85 2jx3 n ASN 38 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2jx3 s ARG 39 N -6.18 1.55 -0.02 1.20 3.00 -0.36 -4.95 118.95 113.18 2jx3 s ARG 39 Ca 0.48 -1.86 -0.24 0.00 0.00 0.00 0.00 55.73 54.11 2jx3 s ARG 39 Cb -0.24 0.31 -0.21 0.00 0.00 0.00 0.00 34.95 34.81 2jx3 s ARG 39 CO 0.59 -0.56 1.15 -1.00 0.00 0.00 0.00 175.30 175.49 2jx3 h PRO 40 N 2.32 0.18 0.00 3.54 0.13 -1.92 -3.27 132.00 132.98 2jx3 h PRO 40 Ca -0.29 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2jx3 h PRO 40 Cb 1.24 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2jx3 h PRO 40 CO 0.43 0.78 0.00 0.41 -0.23 0.00 0.00 178.00 179.39 2jx3 n GLY 41 N 0.67 1.57 3.55 1.56 0.00 -1.26 -4.65 105.19 106.64 2jx3 n GLY 41 Ca -0.09 -1.08 -0.31 0.00 0.00 0.00 0.00 46.02 44.55 2jx3 n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jx3 s THR 42 N 0.00 3.32 0.32 2.61 2.01 -1.26 -4.69 115.64 117.95 2jx3 s THR 42 Ca 0.00 -1.10 0.07 0.00 0.31 0.00 0.00 61.69 60.97 2jx3 s THR 42 Cb 0.00 -2.49 0.39 0.00 0.01 0.00 0.00 72.50 70.41 2jx3 s THR 42 CO 0.00 0.25 1.58 0.58 -0.69 0.00 0.00 174.62 176.34 2jx3 h VAL 43 N 3.56 0.05 0.02 3.82 2.07 -1.99 2.59 116.25 126.37 2jx3 h VAL 43 Ca -0.48 -0.01 -0.22 0.00 0.82 0.00 0.00 66.70 66.81 2jx3 h VAL 43 Cb 1.16 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2jx3 h VAL 43 CO 0.52 0.01 -0.94 0.77 0.02 0.00 0.00 177.57 177.94 2jx3 h SER 44 N 0.03 0.36 0.00 0.57 4.64 -1.99 -2.90 113.55 114.27 2jx3 h SER 44 Ca 0.66 -0.30 -0.01 0.00 -0.47 0.00 0.00 61.79 61.67 2jx3 h SER 44 Cb 1.48 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.45 2jx3 h SER 44 CO -0.86 1.12 -0.46 -1.28 -0.87 0.00 0.00 176.83 174.49 2jx3 h SER 45 N 0.14 0.00 -1.17 4.97 0.87 -0.11 -2.91 113.55 115.35 2jx3 h SER 45 Ca -0.06 -0.02 0.36 0.00 -1.23 0.00 0.00 61.79 60.83 2jx3 h SER 45 Cb 1.59 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 63.43 2jx3 h SER 45 CO 0.15 0.74 0.74 0.17 -0.53 0.00 0.00 176.83 178.10 2jx3 h LEU 46 N -1.00 0.35 0.00 2.23 8.10 0.39 1.20 115.31 126.59 2jx3 h LEU 46 Ca -0.01 0.13 -0.02 0.00 0.11 0.00 0.00 57.88 58.09 2jx3 h LEU 46 Cb 0.47 0.09 0.00 0.00 -0.44 0.00 0.00 40.66 40.78 2jx3 h LEU 46 CO -0.01 -0.09 -0.07 0.50 -4.11 0.00 0.00 178.44 174.66 2jx3 h LYS 47 N 0.23 0.05 0.24 0.17 3.11 -1.54 -2.89 116.57 115.93 2jx3 h LYS 47 Ca 0.73 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 58.50 2jx3 h LYS 47 Cb 2.06 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 33.31 2jx3 h LYS 47 CO -0.41 0.85 -0.12 0.87 -2.81 0.00 0.00 179.45 177.83 2jx3 h LYS 48 N -0.73 -0.31 -0.83 1.90 6.56 -0.64 -2.86 116.57 119.66 2jx3 h LYS 48 Ca -0.01 0.02 0.14 0.00 -1.06 0.00 0.00 60.65 59.74 2jx3 h LYS 48 Cb 0.87 0.07 -0.14 0.00 -0.57 0.00 0.00 32.23 32.46 2jx3 h LYS 48 CO 0.01 -0.21 -0.34 -0.91 -2.06 0.00 0.00 179.45 175.94 2jx3 h ASN 49 N -0.78 -1.24 0.18 0.86 2.35 0.12 2.20 115.58 119.27 2jx3 h ASN 49 Ca -0.03 0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 2jx3 h ASN 49 Cb 0.25 0.66 -0.03 0.00 0.05 0.00 0.00 38.32 39.25 2jx3 h ASN 49 CO 0.05 -0.29 -0.35 0.58 -1.65 0.00 0.00 177.43 175.77 2jx3 h VAL 50 N -0.06 0.00 0.00 2.81 2.07 -1.58 0.65 116.25 120.14 2jx3 h VAL 50 Ca 0.32 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.84 2jx3 h VAL 50 Cb 0.59 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2jx3 h VAL 50 CO -0.86 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.34 2jx3 n GLY 51 N -1.34 -0.85 2.28 2.17 0.00 -0.59 -3.79 105.19 103.06 2jx3 n GLY 51 Ca -0.07 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 2jx3 n GLY 51 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jx3 n GLN 52 N -1.34 0.78 -0.00 1.61 1.13 0.74 0.27 117.38 120.56 2jx3 n GLN 52 Ca 0.06 -3.37 0.09 0.00 -1.94 0.00 0.00 57.00 51.84 2jx3 n GLN 52 Cb 0.14 -1.44 -0.12 0.00 0.11 0.00 0.00 30.24 28.92 2jx3 n GLN 52 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2jx3 n PHE 53 N 1.71 0.00 -3.10 1.08 7.35 -0.30 -4.28 117.46 119.92 2jx3 n PHE 53 Ca 0.24 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.86 2jx3 n PHE 53 Cb 0.50 -0.23 0.00 0.00 0.35 0.00 0.00 39.48 40.11 2jx3 n PHE 53 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2jx3 n SER 54 N -1.81 -7.43 0.00 -2.13 2.88 -1.26 -4.82 113.62 99.05 2jx3 n SER 54 Ca -0.00 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 2jx3 n SER 54 Cb 0.38 -4.78 0.00 0.00 -0.75 0.00 0.00 64.21 59.06 2jx3 n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jx3 n GLY 55 N -1.29 0.52 0.02 0.46 0.00 -1.26 -5.03 105.19 98.61 2jx3 n GLY 55 Ca -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 46.02 45.97 2jx3 n GLY 55 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2jx3 h PHE 56 N 0.00 -0.06 0.00 1.61 -1.00 -1.88 -0.82 116.94 114.79 2jx3 h PHE 56 Ca 0.00 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.65 2jx3 h PHE 56 Cb 0.00 0.03 -0.05 0.00 3.61 0.00 0.00 35.95 39.54 2jx3 h PHE 56 CO 0.00 -0.02 -0.18 -0.35 -1.61 0.00 0.00 178.31 176.15 2jx3 n PRO 57 N -2.83 1.50 0.00 1.51 -0.04 -1.26 -3.95 135.00 129.93 2jx3 n PRO 57 Ca -0.00 -0.70 0.00 0.00 -0.04 0.00 0.00 63.50 62.76 2jx3 n PRO 57 Cb 0.01 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 2jx3 n PRO 57 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2jx3 n PHE 58 N 2.48 0.00 -3.72 0.54 -1.74 -0.31 -4.89 117.46 109.82 2jx3 n PHE 58 Ca 0.30 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.19 2jx3 n PHE 58 Cb 0.69 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.69 2jx3 n PHE 58 CO 0.00 0.00 0.00 0.39 -0.56 0.00 0.00 176.76 176.59 2jx3 n GLU 59 N 0.00 2.17 -0.57 3.97 1.02 -1.26 -4.78 120.64 121.20 2jx3 n GLU 59 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2jx3 n GLU 59 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2jx3 n GLU 59 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2jx3 n LYS 60 N -0.11 0.00 -1.14 3.49 2.85 -1.26 -4.84 118.16 117.15 2jx3 n LYS 60 Ca 0.00 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.21 2jx3 n LYS 60 Cb 0.00 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.36 2jx3 n LYS 60 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2jx3 n GLY 61 N 0.00 0.49 3.82 2.58 0.00 -1.26 -4.91 105.19 105.91 2jx3 n GLY 61 Ca 0.00 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 2jx3 n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jx3 s SER 62 N -2.20 4.80 0.25 1.61 0.01 -1.26 -4.96 113.70 111.95 2jx3 s SER 62 Ca 0.00 -0.87 -0.05 0.00 1.31 0.00 0.00 55.95 56.35 2jx3 s SER 62 Cb 0.00 -0.56 0.47 0.00 0.21 0.00 0.00 66.02 66.15 2jx3 s SER 62 CO 0.00 -0.59 1.69 0.58 0.41 0.00 0.00 173.24 175.33 2jx3 h VAL 63 N 1.21 0.52 -0.61 3.43 2.07 -2.01 0.80 116.25 121.65 2jx3 h VAL 63 Ca -0.42 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 2jx3 h VAL 63 Cb 1.26 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 2jx3 h VAL 63 CO 0.63 0.05 0.30 0.06 0.02 0.00 0.00 177.57 178.63 2jx3 h GLN 64 N 0.28 0.88 -0.37 1.57 3.07 -1.98 -2.81 115.11 115.75 2jx3 h GLN 64 Ca 0.42 -0.13 0.08 0.00 0.09 0.00 0.00 58.65 59.11 2jx3 h GLN 64 Cb 0.72 -0.16 -0.08 0.00 0.08 0.00 0.00 27.48 28.03 2jx3 h GLN 64 CO -0.51 0.70 -0.20 -0.92 0.09 0.00 0.00 178.83 177.99 2jx3 h TYR 65 N 0.84 -0.51 -0.65 0.06 3.20 -1.18 0.68 116.97 119.41 2jx3 h TYR 65 Ca 0.21 0.04 0.12 0.00 3.14 0.00 0.00 58.73 62.24 2jx3 h TYR 65 Cb 0.11 0.28 -0.08 0.00 1.54 0.00 0.00 36.73 38.57 2jx3 h TYR 65 CO -0.00 -0.28 0.21 0.87 -1.64 0.00 0.00 178.16 177.32 2jx3 h LYS 66 N -0.14 0.34 -0.49 1.82 1.57 -1.21 -1.37 116.57 117.10 2jx3 h LYS 66 Ca 0.18 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.00 2jx3 h LYS 66 Cb 0.42 -0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.57 2jx3 h LYS 66 CO -0.46 0.23 -0.54 -0.22 -0.57 0.00 0.00 179.45 177.90 2jx3 h LYS 67 N 0.35 -0.30 -0.96 3.15 1.63 -0.66 0.78 116.57 120.56 2jx3 h LYS 67 Ca 0.34 0.02 0.28 0.00 -0.85 0.00 0.00 60.65 60.44 2jx3 h LYS 67 Cb 0.49 0.07 -0.14 0.00 -0.60 0.00 0.00 32.23 32.04 2jx3 h LYS 67 CO -0.38 -0.20 0.45 0.87 -3.45 0.00 0.00 179.45 176.74 2jx3 h LYS 68 N -0.31 0.29 -0.41 1.90 1.79 -0.79 0.46 116.57 119.50 2jx3 h LYS 68 Ca 0.08 -0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.58 2jx3 h LYS 68 Cb 0.53 -0.07 -0.06 0.00 -1.58 0.00 0.00 32.23 31.05 2jx3 h LYS 68 CO -0.63 0.19 -0.37 1.49 -1.08 0.00 0.00 179.45 179.05 2jx3 h GLU 69 N 0.30 -0.16 0.02 3.15 4.22 0.98 1.45 114.58 124.55 2jx3 h GLU 69 Ca 0.66 0.01 -0.00 0.00 0.08 0.00 0.00 59.36 60.11 2jx3 h GLU 69 Cb 1.43 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.71 2jx3 h GLU 69 CO -0.61 -0.11 -0.01 1.49 -2.18 0.00 0.00 179.01 177.59 2jx3 h GLU 70 N -0.17 -0.03 -0.71 1.92 4.57 -0.93 -2.91 114.58 116.32 2jx3 h GLU 70 Ca 0.07 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.36 2jx3 h GLU 70 Cb 0.35 0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 28.87 2jx3 h GLU 70 CO -0.47 0.70 0.32 0.52 -1.18 0.00 0.00 179.01 178.90 2jx3 h MET 71 N -0.88 0.51 0.00 1.92 2.86 -0.05 0.25 114.93 119.54 2jx3 h MET 71 Ca -0.00 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.54 2jx3 h MET 71 Cb 0.74 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 2jx3 h MET 71 CO 0.01 0.34 -0.29 1.37 1.06 0.00 0.00 176.91 179.39 2jx3 h LEU 72 N 0.52 0.00 0.04 1.22 8.10 0.19 -1.50 115.31 123.88 2jx3 h LEU 72 Ca 0.36 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.35 2jx3 h LEU 72 Cb 0.44 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.66 2jx3 h LEU 72 CO -0.31 0.29 -0.02 0.11 -4.11 0.00 0.00 178.44 174.40 2jx3 h LYS 73 N 0.00 -0.05 -0.66 0.17 1.79 -0.74 1.94 116.57 119.02 2jx3 h LYS 73 Ca -0.00 0.00 0.13 0.00 -2.18 0.00 0.00 60.65 58.60 2jx3 h LYS 73 Cb 0.56 0.01 -0.10 0.00 -1.58 0.00 0.00 32.23 31.13 2jx3 h LYS 73 CO 0.04 -0.04 0.15 0.87 -1.08 0.00 0.00 179.45 179.39 2jx3 h LYS 74 N -0.06 0.26 -0.38 3.15 1.57 -1.56 0.84 116.57 120.39 2jx3 h LYS 74 Ca -0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2jx3 h LYS 74 Cb 0.04 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2jx3 h LYS 74 CO 0.01 0.17 0.24 0.74 -0.57 0.00 0.00 179.45 180.04 2jx3 h PHE 75 N 0.27 0.48 -0.68 -1.35 0.04 -1.19 -2.10 116.94 112.41 2jx3 h PHE 75 Ca 0.35 0.01 0.12 0.00 2.80 0.00 0.00 57.97 61.26 2jx3 h PHE 75 Cb 0.56 -0.16 -0.13 0.00 2.20 0.00 0.00 35.95 38.42 2jx3 h PHE 75 CO -0.26 0.31 -0.29 -0.09 -0.60 0.00 0.00 178.31 177.39 2jx3 h ARG 76 N 0.51 -0.09 0.31 1.51 1.12 1.03 2.14 114.38 120.91 2jx3 h ARG 76 Ca 0.14 0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 59.00 2jx3 h ARG 76 Cb -0.04 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 29.95 2jx3 h ARG 76 CO -0.03 -0.06 -0.15 -0.91 -3.11 0.00 0.00 179.97 175.72 2jx3 h ASN 77 N -0.09 -0.35 0.23 -3.80 -0.26 -1.26 -2.90 115.58 107.16 2jx3 h ASN 77 Ca 0.29 0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 56.03 2jx3 h ASN 77 Cb 0.55 0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.90 2jx3 h ASN 77 CO -0.74 -0.21 -0.11 0.00 -1.06 0.00 0.00 177.43 175.31 2jx3 h ALA 78 N -1.73 -0.55 -0.92 -0.83 0.00 -1.26 -2.98 119.26 110.98 2jx3 h ALA 78 Ca -0.04 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 54.90 2jx3 h ALA 78 Cb 0.31 0.12 -0.12 0.00 0.00 0.00 0.00 17.79 18.10 2jx3 h ALA 78 CO 0.07 -0.53 -0.49 -0.12 0.00 0.00 0.00 179.25 178.18 2jx3 n MET 79 N -3.55 -0.35 -0.24 0.00 0.00 0.71 0.91 117.12 114.61 2jx3 n MET 79 Ca -0.04 1.40 0.04 0.00 0.00 0.00 0.00 57.70 59.10 2jx3 n MET 79 Cb 0.12 -2.06 0.17 0.00 0.00 0.00 0.00 33.22 31.45 2jx3 n MET 79 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 2jx3 h LEU 80 N 0.00 0.22 -0.02 -0.89 3.38 -1.10 1.01 115.31 117.91 2jx3 h LEU 80 Ca 0.19 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2jx3 h LEU 80 Cb 0.43 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 2jx3 h LEU 80 CO -0.88 0.08 -0.02 0.50 0.09 0.00 0.00 178.44 178.22 2jx3 h LYS 81 N 0.40 -0.01 0.20 1.13 1.63 0.70 0.59 116.57 121.21 2jx3 h LYS 81 Ca 0.39 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.18 2jx3 h LYS 81 Cb 0.58 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 2jx3 h LYS 81 CO -0.40 -0.00 -0.09 0.77 -3.45 0.00 0.00 179.45 176.27 2jx3 h SER 82 N -0.01 -0.22 -0.13 4.20 0.02 -1.26 -2.96 113.55 113.18 2jx3 h SER 82 Ca 0.00 -0.31 0.02 0.00 -0.84 0.00 0.00 61.79 60.66 2jx3 h SER 82 Cb 0.02 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 2jx3 h SER 82 CO -0.02 0.28 -0.19 0.40 -1.14 0.00 0.00 176.83 176.16 2jx3 h ILE 83 N -0.83 0.00 -0.96 3.27 1.08 0.11 0.11 117.51 120.30 2jx3 h ILE 83 Ca -0.03 0.00 0.31 0.00 -0.39 0.00 0.00 64.86 64.75 2jx3 h ILE 83 Cb 0.52 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 34.11 2jx3 h ILE 83 CO 0.04 0.00 0.33 0.00 -0.69 0.00 0.00 178.15 177.84 2jx3 h GLU 85 N 0.14 0.00 0.00 0.00 4.81 -0.60 -2.62 114.58 116.30 2jx3 h GLU 85 Ca 0.67 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.87 2jx3 h GLU 85 Cb 1.54 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.83 2jx3 h GLU 85 CO -0.74 0.00 -0.59 0.28 -0.73 0.00 0.00 179.01 177.23 2jx3 n VAL 86 N -3.98 0.13 -3.04 0.32 0.31 0.67 -4.88 118.33 107.86 2jx3 n VAL 86 Ca 0.10 -0.39 -0.31 0.00 -0.01 0.00 0.00 64.34 63.73 2jx3 n VAL 86 Cb 0.70 0.56 -0.04 0.00 -0.91 0.00 0.00 33.84 34.15 2jx3 n VAL 86 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2jx3 n LEU 87 N 0.02 5.03 -4.22 7.52 7.94 0.72 -4.00 117.00 130.02 2jx3 n LEU 87 Ca 0.02 -5.51 -0.35 0.00 -1.11 0.00 0.00 56.01 49.06 2jx3 n LEU 87 Cb 0.80 -0.79 -0.03 0.00 0.53 0.00 0.00 43.42 43.93 2jx3 n LEU 87 CO -0.01 2.13 -0.07 -0.67 -1.11 0.00 0.00 177.39 177.67 2jx3 n ASP 88 N 0.30 -2.83 -0.08 1.96 2.03 -1.26 -4.76 116.55 111.91 2jx3 n ASP 88 Ca 0.33 -1.03 0.00 0.00 0.52 0.00 0.00 54.79 54.61 2jx3 n ASP 88 Cb 0.37 -2.70 0.00 0.00 -0.72 0.00 0.00 41.12 38.06 2jx3 n ASP 88 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2jx3 n LEU 89 N -4.38 0.00 -0.99 -2.67 4.77 -1.24 -5.03 117.00 107.47 2jx3 n LEU 89 Ca 0.03 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.00 2jx3 n LEU 89 Cb 0.51 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2jx3 n LEU 89 CO 0.85 0.00 0.16 1.21 -1.33 0.00 0.00 177.39 178.29 2jx3 n GLU 90 N 0.00 0.10 0.00 3.23 4.07 -1.22 -4.70 120.64 122.12 2jx3 n GLU 90 Ca 0.00 -0.24 0.00 0.00 -0.06 0.00 0.00 57.16 56.86 2jx3 n GLU 90 Cb 0.00 0.37 0.00 0.00 -0.06 0.00 0.00 31.44 31.75 2jx3 n GLU 90 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 2jx3 n ARG 91 N -0.11 0.00 0.00 5.31 1.85 -1.26 -4.98 116.66 117.47 2jx3 n ARG 91 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.79 2jx3 n ARG 91 Cb 0.43 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.84 2jx3 n ARG 91 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2jx3 n SER 92 N 0.00 0.00 0.00 2.89 3.41 -1.26 -4.75 113.62 113.91 2jx3 n SER 92 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2jx3 n SER 92 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2jx3 n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jx3 n GLY 93 N 1.47 0.41 3.18 5.00 0.00 -1.26 -4.89 105.19 109.10 2jx3 n GLY 93 Ca 0.00 -1.11 -0.25 0.00 0.00 0.00 0.00 46.02 44.66 2jx3 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jx3 s VAL 94 N 0.00 1.43 0.25 1.61 1.01 -1.26 -4.96 120.40 118.48 2jx3 s VAL 94 Ca 0.00 -0.79 -0.12 0.00 0.00 0.00 0.00 61.98 61.07 2jx3 s VAL 94 Cb 0.00 -1.19 0.35 0.00 0.00 0.00 0.00 36.38 35.55 2jx3 s VAL 94 CO 0.00 0.39 1.56 0.78 0.00 0.00 0.00 175.10 177.83 2jx3 h ASN 95 N 5.65 -1.12 0.51 3.32 2.35 -1.97 1.81 115.58 126.12 2jx3 h ASN 95 Ca -0.37 0.30 -0.02 0.00 -0.55 0.00 0.00 56.30 55.65 2jx3 h ASN 95 Cb 1.15 0.66 0.00 0.00 0.05 0.00 0.00 38.32 40.19 2jx3 h ASN 95 CO 0.48 -0.31 -0.24 0.28 -1.65 0.00 0.00 177.43 175.99 2jx3 h SER 96 N -0.01 -0.58 -0.14 5.81 0.02 -2.00 -2.27 113.55 114.39 2jx3 h SER 96 Ca 0.41 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.42 2jx3 h SER 96 Cb 0.66 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.35 2jx3 h SER 96 CO -0.99 -0.30 0.22 -0.08 -1.14 0.00 0.00 176.83 174.54 2jx3 h GLU 97 N -0.91 0.00 0.22 3.45 4.81 -1.77 -2.47 114.58 117.91 2jx3 h GLU 97 Ca -0.07 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 2jx3 h GLU 97 Cb 0.52 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.91 2jx3 h GLU 97 CO 0.11 0.00 -0.11 -0.07 -0.73 0.00 0.00 179.01 178.22 2jx3 h LEU 98 N 0.00 -0.25 -0.39 1.64 3.38 0.29 -2.44 115.31 117.54 2jx3 h LEU 98 Ca 0.07 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.12 2jx3 h LEU 98 Cb 0.50 0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.23 2jx3 h LEU 98 CO -0.00 0.00 -0.41 0.58 0.09 0.00 0.00 178.44 178.70 2jx3 h VAL 99 N -0.66 0.13 -0.74 1.22 2.07 -1.20 0.95 116.25 118.03 2jx3 h VAL 99 Ca -0.03 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.70 2jx3 h VAL 99 Cb 0.23 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 2jx3 h VAL 99 CO 0.05 0.00 0.62 0.50 0.02 0.00 0.00 177.57 178.76 2jx3 h LYS 100 N -0.32 0.00 -0.35 1.57 3.64 -1.56 0.88 116.57 120.42 2jx3 h LYS 100 Ca 0.14 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 2jx3 h LYS 100 Cb 0.58 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 2jx3 h LYS 100 CO -0.56 0.00 -0.07 -0.09 -2.27 0.00 0.00 179.45 176.46 2jx3 h ARG 101 N 0.00 0.66 -0.07 1.90 2.43 0.14 -1.74 114.38 117.71 2jx3 h ARG 101 Ca 0.35 -0.25 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 2jx3 h ARG 101 Cb 1.59 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 31.09 2jx3 h ARG 101 CO -0.00 0.82 -0.08 -0.84 -1.51 0.00 0.00 179.97 178.36 2jx3 h ILE 102 N 0.45 1.10 0.00 1.20 -0.00 -0.41 0.14 117.51 120.00 2jx3 h ILE 102 Ca 0.09 -0.45 -0.08 0.00 -0.00 0.00 0.00 64.86 64.43 2jx3 h ILE 102 Cb 0.57 1.15 -0.01 0.00 -0.00 0.00 0.00 36.82 38.53 2jx3 h ILE 102 CO 0.03 0.14 -0.36 -0.07 -0.00 0.00 0.00 178.15 177.88 2jx3 h LEU 103 N 0.09 0.00 0.00 0.16 3.38 -1.31 -0.71 115.31 116.92 2jx3 h LEU 103 Ca 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2jx3 h LEU 103 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2jx3 h LEU 103 CO 0.01 0.36 -1.11 0.59 0.09 0.00 0.00 178.44 178.38 2jx3 n ASN 104 N -3.22 0.85 0.00 -0.43 3.02 -0.47 -3.90 115.26 111.11 2jx3 n ASN 104 Ca 0.02 0.34 -0.01 0.00 -0.03 0.00 0.00 54.58 54.90 2jx3 n ASN 104 Cb 0.66 0.38 -0.00 0.00 -0.61 0.00 0.00 39.78 40.20 2jx3 n ASN 104 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2jx3 n PHE 105 N -2.73 0.00 0.33 3.10 -0.00 0.38 -4.03 117.46 114.52 2jx3 n PHE 105 Ca -0.03 0.00 0.18 0.00 -0.00 0.00 0.00 57.45 57.60 2jx3 n PHE 105 Cb 0.62 -0.06 0.95 0.00 -0.00 0.00 0.00 39.48 41.00 2jx3 n PHE 105 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 2jx3 h LEU 106 N -0.11 0.00 0.10 -2.13 -0.00 -1.32 0.23 115.31 112.08 2jx3 h LEU 106 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.88 57.56 2jx3 h LEU 106 Cb 0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.75 2jx3 h LEU 106 CO 0.00 0.00 -1.70 -0.03 -0.00 0.00 0.00 178.44 176.71 2jx3 h MET 107 N 0.00 0.21 -0.87 1.13 4.05 -1.49 -3.39 114.93 114.57 2jx3 h MET 107 Ca 0.00 -0.35 -0.01 0.00 -0.28 0.00 0.00 59.70 59.05 2jx3 h MET 107 Cb 0.45 0.13 -0.19 0.00 -0.80 0.00 0.00 31.60 31.19 2jx3 h MET 107 CO -0.00 1.02 -0.38 -1.01 0.23 0.00 0.00 176.91 176.77 2jx3 s HIS 108 N -2.60 -1.53 0.00 1.39 3.76 0.65 -2.76 115.29 114.20 2jx3 s HIS 108 Ca -0.12 0.33 0.00 0.00 -0.15 0.00 0.00 55.06 55.12 2jx3 s HIS 108 Cb 0.07 0.28 0.00 0.00 1.11 0.00 0.00 32.58 34.04 2jx3 s HIS 108 CO 0.82 -1.01 0.00 -0.35 -0.85 0.00 0.00 174.74 173.35 2jx3 n PRO 109 N 4.46 0.00 -0.75 8.40 -0.04 -0.26 -4.34 135.00 142.47 2jx3 n PRO 109 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2jx3 n PRO 109 Cb 0.58 -0.24 0.00 0.00 -0.04 0.00 0.00 33.50 33.79 2jx3 n PRO 109 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63