#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 0.15 0.10 -2.13 -1.04 -1.26 -4.96 114.28 105.14 2jx3 n THR 2 Ca 0.00 -1.70 -0.16 0.00 -2.04 0.00 0.00 64.05 60.15 2jx3 n THR 2 Cb 0.00 0.96 -0.13 0.00 -1.82 0.00 0.00 70.33 69.34 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 2.29 1.48 -2.24 12.58 2.04 -1.97 -3.47 117.51 128.23 2jx3 h ILE 3 Ca -0.26 -2.99 -0.07 0.00 1.00 0.00 0.00 64.86 62.54 2jx3 h ILE 3 Cb 1.28 2.90 -0.22 0.00 -0.74 0.00 0.00 36.82 40.05 2jx3 h ILE 3 CO 0.00 0.87 0.02 0.00 0.00 0.00 0.00 178.15 179.05 2jx3 s ALA 4 N -2.71 -1.53 -0.41 1.87 0.00 -1.26 -3.88 121.76 113.84 2jx3 s ALA 4 Ca -0.04 1.69 0.09 0.00 0.00 0.00 0.00 51.96 53.70 2jx3 s ALA 4 Cb 0.07 -0.93 0.37 0.00 0.00 0.00 0.00 23.12 22.64 2jx3 s ALA 4 CO 0.89 -0.30 1.18 0.94 0.00 0.00 0.00 175.76 178.47 2jx3 n GLN 5 N 2.59 1.12 0.00 0.00 -0.06 -1.26 -4.93 117.38 114.83 2jx3 n GLN 5 Ca -0.14 -2.18 0.00 0.00 -2.00 0.00 0.00 57.00 52.68 2jx3 n GLN 5 Cb 0.56 -0.65 0.00 0.00 -4.06 0.00 0.00 30.24 26.09 2jx3 n GLN 5 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2jx3 n GLY 6 N -0.15 0.02 0.66 1.69 0.00 -1.26 -4.94 105.19 101.21 2jx3 n GLY 6 Ca 0.04 -0.01 0.47 0.00 0.00 0.00 0.00 46.02 46.52 2jx3 n GLY 6 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jx3 h LYS 7 N 0.00 0.00 0.00 1.61 1.79 -1.92 -3.45 116.57 114.60 2jx3 h LYS 7 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2jx3 h LYS 7 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2jx3 h LYS 7 CO 0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 2jx3 n GLY 8 N -1.87 1.92 0.10 3.86 0.00 -1.26 -4.62 105.19 103.32 2jx3 n GLY 8 Ca 0.39 -0.76 0.11 0.00 0.00 0.00 0.00 46.02 45.76 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 0.58 -1.40 1.61 10.64 -1.26 -5.03 117.38 122.52 2jx3 n GLN 9 Ca 0.00 0.08 0.16 0.00 -1.83 0.00 0.00 57.00 55.42 2jx3 n GLN 9 Cb 0.00 -1.78 -0.09 0.00 -0.86 0.00 0.00 30.24 27.51 2jx3 n GLN 9 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2jx3 n LYS 10 N -2.57 -3.11 0.00 2.61 4.81 -1.26 -2.27 118.16 116.37 2jx3 n LYS 10 Ca -0.00 2.52 0.08 0.00 -0.87 0.00 0.00 58.31 60.03 2jx3 n LYS 10 Cb 0.54 -3.69 0.36 0.00 0.02 0.00 0.00 35.03 32.27 2jx3 n LYS 10 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2jx3 n LEU 11 N -4.27 0.00 -0.07 3.14 4.77 -1.26 -3.32 117.00 116.00 2jx3 n LEU 11 Ca -0.08 0.41 -0.22 0.00 -0.03 0.00 0.00 56.01 56.09 2jx3 n LEU 11 Cb 0.65 -0.41 -0.12 0.00 -2.33 0.00 0.00 43.42 41.20 2jx3 n LEU 11 CO 0.03 -0.19 -0.73 0.00 -1.33 0.00 0.00 177.39 175.17 2jx3 h GLU 13 N -0.61 0.31 -6.27 0.00 4.81 -1.45 -3.37 114.58 108.00 2jx3 h GLU 13 Ca -0.41 -0.02 -0.57 0.00 -0.13 0.00 0.00 59.36 58.23 2jx3 h GLU 13 Cb 1.60 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.88 2jx3 h GLU 13 CO -0.13 0.21 1.20 0.96 -0.73 0.00 0.00 179.01 180.52 2jx3 s ILE 14 N -6.13 3.56 0.29 2.32 -4.36 -1.24 -4.86 121.20 110.79 2jx3 s ILE 14 Ca -0.13 0.61 0.08 0.00 -0.26 0.00 0.00 60.65 60.96 2jx3 s ILE 14 Cb 0.15 -3.63 0.02 0.00 1.25 0.00 0.00 42.46 40.25 2jx3 s ILE 14 CO 0.73 -0.31 1.67 -0.08 0.24 0.00 0.00 174.94 177.19 2jx3 h GLU 15 N 11.61 0.14 0.00 0.37 4.57 -1.86 -3.18 114.58 126.22 2jx3 h GLU 15 Ca -0.35 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 2jx3 h GLU 15 Cb 1.17 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 2jx3 h GLU 15 CO 1.01 0.60 0.00 0.54 -1.18 0.00 0.00 179.01 179.98 2jx3 n ARG 16 N -3.95 0.00 -0.26 1.92 1.74 -1.26 0.50 116.66 115.34 2jx3 n ARG 16 Ca -0.02 0.95 -0.02 0.00 -0.77 0.00 0.00 57.85 57.99 2jx3 n ARG 16 Cb 0.53 -1.46 0.16 0.00 -1.02 0.00 0.00 32.46 30.67 2jx3 n ARG 16 CO 0.00 0.00 0.00 -0.84 -1.52 0.00 0.00 177.63 175.27 2jx3 h ILE 17 N 0.00 1.23 -0.79 0.55 3.07 -1.79 -1.77 117.51 118.01 2jx3 h ILE 17 Ca 0.00 -0.57 0.16 0.00 1.55 0.00 0.00 64.86 66.00 2jx3 h ILE 17 Cb 0.00 0.15 -0.05 0.00 -0.27 0.00 0.00 36.82 36.64 2jx3 h ILE 17 CO 0.00 0.26 0.53 -0.74 -1.05 0.00 0.00 178.15 177.14 2jx3 h HIS 18 N 1.11 0.52 0.07 0.16 2.76 -0.94 -0.92 115.15 117.90 2jx3 h HIS 18 Ca 0.28 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.46 2jx3 h HIS 18 Cb 0.02 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 28.81 2jx3 h HIS 18 CO 0.01 0.19 -0.03 0.35 -1.30 0.00 0.00 177.93 177.14 2jx3 h PHE 19 N 0.44 -0.08 -0.33 5.26 3.57 0.95 -2.16 116.94 124.59 2jx3 h PHE 19 Ca 0.39 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.99 2jx3 h PHE 19 Cb 0.89 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 2jx3 h PHE 19 CO -0.00 -0.05 0.73 0.35 -2.23 0.00 0.00 178.31 177.11 2jx3 h PHE 20 N -0.29 0.00 0.00 0.41 3.04 -1.40 0.82 116.94 119.51 2jx3 h PHE 20 Ca -0.01 0.00 -0.23 0.00 3.98 0.00 0.00 57.97 61.71 2jx3 h PHE 20 Cb 0.07 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.54 2jx3 h PHE 20 CO 0.04 0.00 -1.44 -0.07 -2.02 0.00 0.00 178.31 174.82 2jx3 h LEU 21 N 0.00 0.00 -1.86 0.59 -0.00 -1.20 -3.35 115.31 109.49 2jx3 h LEU 21 Ca 0.16 0.00 0.55 0.00 -0.00 0.00 0.00 57.88 58.58 2jx3 h LEU 21 Cb 1.62 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 42.20 2jx3 h LEU 21 CO -0.00 0.85 1.33 -0.24 -0.00 0.00 0.00 178.44 180.37 2jx3 n SER 22 N -3.05 0.02 -2.17 -0.43 2.88 0.28 0.61 113.62 111.77 2jx3 n SER 22 Ca -0.11 1.01 -0.22 0.00 -1.33 0.00 0.00 58.87 58.22 2jx3 n SER 22 Cb 0.95 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 2jx3 n SER 22 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2jx3 n LYS 23 N -3.96 2.11 -1.51 -1.46 5.02 -1.26 -4.98 118.16 112.12 2jx3 n LYS 23 Ca 0.43 -2.01 -0.48 0.00 -2.02 0.00 0.00 58.31 54.23 2jx3 n LYS 23 Cb 1.92 -1.88 -0.03 0.00 -0.02 0.00 0.00 35.03 35.01 2jx3 n LYS 23 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2jx3 n LYS 24 N 0.47 0.72 -4.49 1.97 -0.00 0.20 -4.97 118.16 112.06 2jx3 n LYS 24 Ca 0.40 0.26 -0.21 0.00 -0.00 0.00 0.00 58.31 58.76 2jx3 n LYS 24 Cb 0.57 -1.54 -0.14 0.00 -0.00 0.00 0.00 35.03 33.92 2jx3 n LYS 24 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2jx3 s LYS 25 N -0.94 0.99 0.26 -1.58 1.02 -1.26 -4.97 119.74 113.26 2jx3 s LYS 25 Ca 0.67 -0.54 -0.02 0.00 0.02 0.00 0.00 55.97 56.09 2jx3 s LYS 25 Cb -0.87 -0.96 0.56 0.00 -0.52 0.00 0.00 37.83 36.04 2jx3 s LYS 25 CO 0.56 0.26 1.67 1.79 -0.92 0.00 0.00 175.35 178.71 2jx3 h THR 26 N 4.73 0.42 0.25 2.17 1.35 -1.94 1.81 112.91 121.69 2jx3 h THR 26 Ca -0.35 -0.08 0.01 0.00 -0.55 0.00 0.00 66.41 65.44 2jx3 h THR 26 Cb 1.17 0.16 -0.03 0.00 -1.73 0.00 0.00 68.15 67.72 2jx3 h THR 26 CO 0.47 0.04 -0.38 -0.78 -0.25 0.00 0.00 175.52 174.63 2jx3 h ASP 27 N 0.23 -1.08 0.06 5.36 1.82 -1.99 0.71 116.42 121.54 2jx3 h ASP 27 Ca 0.47 0.11 -0.00 0.00 -0.39 0.00 0.00 57.03 57.22 2jx3 h ASP 27 Cb 0.87 0.38 0.00 0.00 0.68 0.00 0.00 39.33 41.26 2jx3 h ASP 27 CO -0.58 -0.49 -0.03 -0.33 -1.61 0.00 0.00 179.24 176.20 2jx3 h GLU 28 N -0.70 -0.07 -0.16 0.28 3.07 -1.51 -2.84 114.58 112.65 2jx3 h GLU 28 Ca -0.00 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.91 2jx3 h GLU 28 Cb 0.67 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.59 2jx3 h GLU 28 CO -0.15 0.35 0.24 1.25 -1.40 0.00 0.00 179.01 179.30 2jx3 h LEU 29 N -0.52 0.00 0.02 1.33 7.12 0.28 -1.48 115.31 122.07 2jx3 h LEU 29 Ca -0.01 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.00 2jx3 h LEU 29 Cb 0.46 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.59 2jx3 h LEU 29 CO 0.01 0.00 -0.01 -0.09 -0.13 0.00 0.00 178.44 178.22 2jx3 h ARG 30 N 0.00 -0.03 -0.98 1.25 2.43 0.67 -1.84 114.38 115.89 2jx3 h ARG 30 Ca 0.08 0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.40 2jx3 h ARG 30 Cb 0.54 0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 30.01 2jx3 h ARG 30 CO -0.00 -0.02 0.61 -2.95 -1.51 0.00 0.00 179.97 176.10 2jx3 h ASN 31 N -0.12 0.79 0.00 -3.80 7.08 -1.42 0.25 115.58 118.35 2jx3 h ASN 31 Ca -0.00 0.06 0.00 0.00 -3.08 0.00 0.00 56.30 53.28 2jx3 h ASN 31 Cb 0.02 -0.09 0.00 0.00 -2.08 0.00 0.00 38.32 36.18 2jx3 h ASN 31 CO 0.00 0.36 0.00 0.18 -2.08 0.00 0.00 177.43 175.90 2jx3 n LEU 32 N -4.65 0.15 0.21 6.14 4.77 -0.56 -2.59 117.00 120.46 2jx3 n LEU 32 Ca 0.20 0.64 0.18 0.00 -0.03 0.00 0.00 56.01 57.01 2jx3 n LEU 32 Cb 0.48 -0.46 0.78 0.00 -2.33 0.00 0.00 43.42 41.89 2jx3 n LEU 32 CO 0.26 -0.46 1.15 -0.74 -1.33 0.00 0.00 177.39 176.27 2jx3 h HIS 33 N 0.00 0.00 0.02 -1.77 2.76 -1.32 0.89 115.15 115.73 2jx3 h HIS 33 Ca 0.00 0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 57.97 2jx3 h HIS 33 Cb 0.00 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 2jx3 h HIS 33 CO 0.08 0.00 -0.93 -0.22 -1.30 0.00 0.00 177.93 175.56 2jx3 h LYS 34 N 0.00 0.14 0.00 5.26 3.11 -0.57 0.68 116.57 125.18 2jx3 h LYS 34 Ca 0.10 -0.17 -0.19 0.00 -2.81 0.00 0.00 60.65 57.58 2jx3 h LYS 34 Cb 0.87 0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 32.13 2jx3 h LYS 34 CO -0.00 0.97 -1.48 -0.11 -2.81 0.00 0.00 179.45 176.02 2jx3 n LEU 35 N -3.58 1.30 0.32 5.20 7.94 0.20 -3.35 117.00 125.03 2jx3 n LEU 35 Ca -0.03 0.22 -0.17 0.00 -1.11 0.00 0.00 56.01 54.92 2jx3 n LEU 35 Cb 0.85 -0.51 -0.09 0.00 0.53 0.00 0.00 43.42 44.20 2jx3 n LEU 35 CO 0.48 0.07 0.68 0.25 -1.11 0.00 0.00 177.39 177.77 2jx3 h LEU 36 N -0.59 -0.64 -1.37 -1.96 5.85 0.47 -3.15 115.31 113.93 2jx3 h LEU 36 Ca -0.28 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.46 2jx3 h LEU 36 Cb 1.11 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.31 2jx3 h LEU 36 CO -0.17 -0.45 -0.22 -1.22 -0.34 0.00 0.00 178.44 176.03 2jx3 n TYR 37 N -5.41 0.00 -4.02 1.25 4.01 -1.18 -4.97 117.16 106.84 2jx3 n TYR 37 Ca -0.13 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.35 2jx3 n TYR 37 Cb 0.31 -0.01 -0.08 0.00 -0.31 0.00 0.00 39.34 39.26 2jx3 n TYR 37 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2jx3 n ASN 38 N 0.54 0.54 -3.76 7.72 6.94 0.20 -4.89 115.26 122.56 2jx3 n ASN 38 Ca 0.12 -1.07 -0.14 0.00 -0.02 0.00 0.00 54.58 53.47 2jx3 n ASN 38 Cb 0.51 -1.33 -0.08 0.00 -2.36 0.00 0.00 39.78 36.53 2jx3 n ASN 38 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2jx3 s ARG 39 N -6.69 1.54 0.37 -3.83 0.52 0.10 -4.96 118.95 106.01 2jx3 s ARG 39 Ca 0.03 -1.70 0.19 0.00 -0.52 0.00 0.00 55.73 53.72 2jx3 s ARG 39 Cb -0.01 0.35 0.63 0.00 0.52 0.00 0.00 34.95 36.44 2jx3 s ARG 39 CO 0.83 -0.57 1.71 -1.00 0.02 0.00 0.00 175.30 176.29 2jx3 h PRO 40 N 2.34 0.00 -0.31 3.54 0.13 -1.90 -3.37 132.00 132.43 2jx3 h PRO 40 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2jx3 h PRO 40 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2jx3 h PRO 40 CO 0.43 0.36 0.00 0.41 -0.23 0.00 0.00 178.00 178.98 2jx3 n GLY 41 N 0.37 0.07 3.15 1.56 0.00 -1.26 -5.02 105.19 104.06 2jx3 n GLY 41 Ca 0.00 -1.04 -0.15 0.00 0.00 0.00 0.00 46.02 44.83 2jx3 n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jx3 s THR 42 N 0.00 0.89 0.28 2.61 -4.23 -1.26 -4.83 115.64 109.11 2jx3 s THR 42 Ca 0.00 -1.46 -0.07 0.00 -1.18 0.00 0.00 61.69 58.98 2jx3 s THR 42 Cb 0.00 -1.15 0.46 0.00 1.34 0.00 0.00 72.50 73.15 2jx3 s THR 42 CO 0.00 -0.46 1.56 0.52 -0.54 0.00 0.00 174.62 175.70 2jx3 n VAL 43 N 0.89 -0.42 -0.10 2.29 0.31 -1.26 0.28 118.33 120.32 2jx3 n VAL 43 Ca -0.18 2.28 -0.10 0.00 -0.01 0.00 0.00 64.34 66.33 2jx3 n VAL 43 Cb 0.56 -3.17 -0.02 0.00 -0.91 0.00 0.00 33.84 30.30 2jx3 n VAL 43 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2jx3 h SER 44 N 0.00 0.40 0.07 4.52 0.02 -1.99 -2.94 113.55 113.63 2jx3 h SER 44 Ca 0.49 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.32 2jx3 h SER 44 Cb 0.76 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.20 2jx3 h SER 44 CO -1.02 0.40 -0.04 0.28 -1.14 0.00 0.00 176.83 175.31 2jx3 h SER 45 N 0.37 -0.08 -0.13 3.07 0.02 -0.73 -2.60 113.55 113.45 2jx3 h SER 45 Ca 0.11 -0.08 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2jx3 h SER 45 Cb 0.11 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 2jx3 h SER 45 CO -0.01 0.44 -0.08 0.18 -1.14 0.00 0.00 176.83 176.22 2jx3 n LEU 46 N -4.83 -0.14 0.11 5.07 4.77 0.80 0.16 117.00 122.93 2jx3 n LEU 46 Ca -0.02 0.65 -0.10 0.00 -0.03 0.00 0.00 56.01 56.51 2jx3 n LEU 46 Cb 0.08 -0.24 -0.07 0.00 -2.33 0.00 0.00 43.42 40.87 2jx3 n LEU 46 CO 0.06 -0.40 0.36 0.50 -1.33 0.00 0.00 177.39 176.58 2jx3 h LYS 47 N 0.00 -0.33 0.00 3.23 1.63 -1.68 -2.82 116.57 116.59 2jx3 h LYS 47 Ca 0.02 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 2jx3 h LYS 47 Cb 0.05 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 2jx3 h LYS 47 CO -0.12 0.00 0.00 1.17 -3.45 0.00 0.00 179.45 177.05 2jx3 n LYS 48 N -5.02 0.00 -0.28 1.90 3.00 -0.83 -2.14 118.16 114.80 2jx3 n LYS 48 Ca -0.08 0.52 -0.09 0.00 -0.00 0.00 0.00 58.31 58.66 2jx3 n LYS 48 Cb 0.25 -1.49 -0.08 0.00 0.00 0.00 0.00 35.03 33.71 2jx3 n LYS 48 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.40 176.43 2jx3 h ASN 49 N 0.00 -1.67 -0.99 3.14 -0.73 0.15 1.19 115.58 116.67 2jx3 h ASN 49 Ca 0.00 0.25 0.36 0.00 1.87 0.00 0.00 56.30 58.78 2jx3 h ASN 49 Cb 0.00 0.73 -0.17 0.00 0.27 0.00 0.00 38.32 39.15 2jx3 h ASN 49 CO 0.00 -0.22 0.48 0.58 -0.37 0.00 0.00 177.43 177.90 2jx3 h VAL 50 N -0.08 0.12 -0.54 2.57 2.07 -1.36 0.62 116.25 119.65 2jx3 h VAL 50 Ca 0.11 -0.04 -0.36 0.00 0.82 0.00 0.00 66.70 67.22 2jx3 h VAL 50 Cb 0.36 -0.01 -0.24 0.00 -1.52 0.00 0.00 31.29 29.88 2jx3 h VAL 50 CO -0.68 0.02 -0.28 0.61 0.02 0.00 0.00 177.57 177.26 2jx3 n GLY 51 N -1.30 5.63 2.73 2.17 0.00 0.17 -4.75 105.19 109.84 2jx3 n GLY 51 Ca 0.33 -1.92 -0.08 0.00 0.00 0.00 0.00 46.02 44.36 2jx3 n GLY 51 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2jx3 n GLN 52 N -0.95 0.75 -3.61 1.61 0.00 0.36 0.26 117.38 115.80 2jx3 n GLN 52 Ca 0.40 -1.61 -0.24 0.00 -0.00 0.00 0.00 57.00 55.54 2jx3 n GLN 52 Cb 0.92 -1.07 0.02 0.00 0.00 0.00 0.00 30.24 30.11 2jx3 n GLN 52 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2jx3 n PHE 53 N 1.06 -1.08 -2.90 3.69 7.35 -1.22 -4.44 117.46 119.91 2jx3 n PHE 53 Ca 0.06 -2.30 -0.28 0.00 -0.76 0.00 0.00 57.45 54.17 2jx3 n PHE 53 Cb 0.67 -0.49 -0.04 0.00 0.35 0.00 0.00 39.48 39.98 2jx3 n PHE 53 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 2jx3 n SER 54 N -1.98 4.64 0.00 -2.13 3.41 -1.25 -4.38 113.62 111.93 2jx3 n SER 54 Ca 0.04 -3.69 0.00 0.00 -0.26 0.00 0.00 58.87 54.95 2jx3 n SER 54 Cb 0.63 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 2jx3 n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jx3 n GLY 55 N -0.25 0.09 0.00 5.00 0.00 -1.26 -5.01 105.19 103.75 2jx3 n GLY 55 Ca 0.32 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2jx3 n GLY 55 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jx3 n PHE 56 N -1.58 0.00 -0.63 1.61 3.01 -1.25 -2.67 117.46 115.96 2jx3 n PHE 56 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.28 2jx3 n PHE 56 Cb 0.00 -0.35 -0.02 0.00 -0.01 0.00 0.00 39.48 39.10 2jx3 n PHE 56 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2jx3 n PRO 57 N -1.83 1.74 0.00 -1.08 -0.04 -1.26 -2.47 135.00 130.06 2jx3 n PRO 57 Ca 0.00 -1.26 0.00 0.00 -0.04 0.00 0.00 63.50 62.20 2jx3 n PRO 57 Cb 0.00 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.13 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 4.16 0.00 -1.70 0.54 -1.74 -1.09 -4.57 117.46 113.07 2jx3 n PHE 58 Ca 0.37 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.26 2jx3 n PHE 58 Cb 0.14 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.14 2jx3 n PHE 58 CO 0.00 0.00 0.00 -1.91 -0.56 0.00 0.00 176.76 174.29 2jx3 n GLU 59 N 0.00 3.99 -3.00 3.97 4.07 -1.26 -4.47 120.64 123.93 2jx3 n GLU 59 Ca 0.00 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 57.01 2jx3 n GLU 59 Cb 0.00 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.36 2jx3 n GLU 59 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 2jx3 n LYS 60 N 0.00 0.36 -1.00 5.31 2.85 -1.26 -4.82 118.16 119.60 2jx3 n LYS 60 Ca 0.00 -1.65 0.00 0.00 -1.05 0.00 0.00 58.31 55.61 2jx3 n LYS 60 Cb 0.00 1.53 0.00 0.00 -0.65 0.00 0.00 35.03 35.91 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 -0.33 0.23 3.73 2.58 0.00 -1.26 -4.95 105.19 105.18 2jx3 n GLY 61 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 2jx3 n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jx3 s SER 62 N -2.00 4.84 0.28 1.61 1.04 -1.26 -4.97 113.70 113.24 2jx3 s SER 62 Ca 0.00 -0.61 -0.02 0.00 0.48 0.00 0.00 55.95 55.80 2jx3 s SER 62 Cb 0.00 -0.91 0.61 0.00 0.10 0.00 0.00 66.02 65.82 2jx3 s SER 62 CO 0.00 -0.16 1.61 -0.37 0.98 0.00 0.00 173.24 175.30 2jx3 h VAL 63 N 1.62 0.20 0.10 5.02 -1.51 -2.01 0.20 116.25 119.87 2jx3 h VAL 63 Ca -0.45 -0.03 0.02 0.00 -1.23 0.00 0.00 66.70 65.01 2jx3 h VAL 63 Cb 1.25 0.11 -0.03 0.00 -2.13 0.00 0.00 31.29 30.49 2jx3 h VAL 63 CO 0.61 0.02 -0.20 -0.61 -1.23 0.00 0.00 177.57 176.16 2jx3 h GLN 64 N 0.08 -0.37 -1.20 5.19 4.15 -1.99 -1.03 115.11 119.95 2jx3 h GLN 64 Ca 0.51 0.02 0.36 0.00 0.77 0.00 0.00 58.65 60.32 2jx3 h GLN 64 Cb 0.99 0.08 -0.11 0.00 0.21 0.00 0.00 27.48 28.65 2jx3 h GLN 64 CO -0.77 -0.24 0.77 -0.92 -1.93 0.00 0.00 178.83 175.74 2jx3 h TYR 65 N -0.38 0.56 -0.30 3.99 3.20 -0.94 0.57 116.97 123.67 2jx3 h TYR 65 Ca 0.03 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 2jx3 h TYR 65 Cb 0.41 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 2jx3 h TYR 65 CO -0.20 -0.09 0.07 0.87 -1.64 0.00 0.00 178.16 177.17 2jx3 h LYS 66 N 0.21 0.49 0.13 1.82 6.56 -0.76 -2.83 116.57 122.19 2jx3 h LYS 66 Ca 0.72 -0.12 0.01 0.00 -1.06 0.00 0.00 60.65 60.19 2jx3 h LYS 66 Cb 2.11 -0.06 -0.04 0.00 -0.57 0.00 0.00 32.23 33.67 2jx3 h LYS 66 CO -0.35 0.57 -0.48 0.87 -2.06 0.00 0.00 179.45 178.00 2jx3 h LYS 67 N 0.33 -0.67 -0.90 3.15 1.57 0.38 -0.93 116.57 119.50 2jx3 h LYS 67 Ca 0.10 0.05 0.23 0.00 -1.87 0.00 0.00 60.65 59.15 2jx3 h LYS 67 Cb 0.30 0.15 -0.16 0.00 0.08 0.00 0.00 32.23 32.60 2jx3 h LYS 67 CO 0.00 -0.45 0.04 0.87 -0.57 0.00 0.00 179.45 179.35 2jx3 h LYS 68 N -0.70 0.07 -0.36 3.15 1.57 -1.45 0.76 116.57 119.61 2jx3 h LYS 68 Ca -0.01 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.80 2jx3 h LYS 68 Cb 0.69 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.93 2jx3 h LYS 68 CO -0.25 0.04 -0.36 1.49 -0.57 0.00 0.00 179.45 179.81 2jx3 h GLU 69 N 0.07 -0.17 0.07 3.15 4.81 -0.91 1.29 114.58 122.89 2jx3 h GLU 69 Ca 0.53 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.77 2jx3 h GLU 69 Cb 1.04 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.46 2jx3 h GLU 69 CO -0.80 -0.11 -0.03 0.93 -0.73 0.00 0.00 179.01 178.26 2jx3 h GLU 70 N -0.18 -0.09 -0.77 1.92 4.39 -0.94 -2.95 114.58 115.95 2jx3 h GLU 70 Ca 0.06 0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.89 2jx3 h GLU 70 Cb 0.34 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 28.93 2jx3 h GLU 70 CO -0.44 0.46 0.38 0.52 -1.16 0.00 0.00 179.01 178.78 2jx3 h MET 71 N -0.89 0.58 -0.03 2.33 2.86 0.54 0.59 114.93 120.92 2jx3 h MET 71 Ca -0.01 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 2jx3 h MET 71 Cb 0.60 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 2jx3 h MET 71 CO 0.02 0.38 -0.27 1.37 1.06 0.00 0.00 176.91 179.47 2jx3 h LEU 72 N 0.60 0.04 0.00 1.22 8.10 0.16 -1.64 115.31 123.79 2jx3 h LEU 72 Ca 0.40 -0.01 0.00 0.00 0.11 0.00 0.00 57.88 58.38 2jx3 h LEU 72 Cb 0.50 -0.01 0.00 0.00 -0.44 0.00 0.00 40.66 40.71 2jx3 h LEU 72 CO -0.32 0.32 0.00 1.17 -4.11 0.00 0.00 178.44 175.50 2jx3 n LYS 73 N -4.20 0.00 -0.18 0.17 4.81 0.19 0.26 118.16 119.21 2jx3 n LYS 73 Ca -0.02 0.43 -0.02 0.00 -0.87 0.00 0.00 58.31 57.83 2jx3 n LYS 73 Cb 0.33 -1.42 0.05 0.00 0.02 0.00 0.00 35.03 34.01 2jx3 n LYS 73 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2jx3 h LYS 74 N 0.00 0.00 -0.18 1.64 3.64 -1.56 0.92 116.57 121.03 2jx3 h LYS 74 Ca 0.00 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2jx3 h LYS 74 Cb 0.00 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2jx3 h LYS 74 CO 0.00 0.00 0.12 0.74 -2.27 0.00 0.00 179.45 178.04 2jx3 h PHE 75 N 0.00 0.20 -0.56 1.91 0.04 -1.24 -2.34 116.94 114.96 2jx3 h PHE 75 Ca 0.26 0.00 0.09 0.00 2.80 0.00 0.00 57.97 61.13 2jx3 h PHE 75 Cb 0.40 -0.07 -0.11 0.00 2.20 0.00 0.00 35.95 38.38 2jx3 h PHE 75 CO -0.45 0.12 -0.40 -0.09 -0.60 0.00 0.00 178.31 176.89 2jx3 h ARG 76 N 0.22 -0.21 0.33 1.51 2.43 1.13 1.86 114.38 121.64 2jx3 h ARG 76 Ca 0.07 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 2jx3 h ARG 76 Cb 0.01 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2jx3 h ARG 76 CO -0.01 -0.14 -0.16 -0.91 -1.51 0.00 0.00 179.97 177.24 2jx3 h ASN 77 N -0.22 -0.38 0.14 -3.80 2.35 -1.32 -2.83 115.58 109.53 2jx3 h ASN 77 Ca 0.19 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.95 2jx3 h ASN 77 Cb 0.56 0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.03 2jx3 h ASN 77 CO -0.67 -0.23 -0.07 0.00 -1.65 0.00 0.00 177.43 174.81 2jx3 h ALA 78 N -1.72 -0.64 -0.89 -0.83 0.00 -1.31 -3.00 119.26 110.86 2jx3 h ALA 78 Ca -0.05 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.90 2jx3 h ALA 78 Cb 0.34 0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.10 2jx3 h ALA 78 CO 0.07 -0.62 -0.53 -0.12 0.00 0.00 0.00 179.25 178.05 2jx3 n MET 79 N -2.79 -0.39 -0.29 0.00 0.00 0.62 0.78 117.12 115.05 2jx3 n MET 79 Ca -0.02 1.41 0.10 0.00 -0.00 0.00 0.00 57.70 59.19 2jx3 n MET 79 Cb 0.08 -2.08 0.26 0.00 0.00 0.00 0.00 33.22 31.47 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 0.14 -0.31 -0.89 3.38 -0.99 0.80 115.31 117.44 2jx3 h LEU 80 Ca 0.14 0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.31 2jx3 h LEU 80 Cb 0.37 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 2jx3 h LEU 80 CO -0.84 -0.05 -0.28 0.50 0.09 0.00 0.00 178.44 177.86 2jx3 h LYS 81 N 0.31 -0.12 0.05 1.13 1.63 0.51 0.14 116.57 120.22 2jx3 h LYS 81 Ca 0.51 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.31 2jx3 h LYS 81 Cb 0.95 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.61 2jx3 h LYS 81 CO -0.55 -0.08 -0.02 0.77 -3.45 0.00 0.00 179.45 176.11 2jx3 h SER 82 N -0.13 -0.05 -0.05 4.20 0.02 -1.02 -2.93 113.55 113.59 2jx3 h SER 82 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2jx3 h SER 82 Cb 0.26 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 2jx3 h SER 82 CO -0.36 0.17 -0.04 0.40 -1.14 0.00 0.00 176.83 175.86 2jx3 h ILE 83 N -0.49 0.00 -0.90 3.27 5.03 0.51 0.11 117.51 125.04 2jx3 h ILE 83 Ca -0.01 0.00 0.25 0.00 -0.12 0.00 0.00 64.86 64.98 2jx3 h ILE 83 Cb 0.05 0.00 -0.15 0.00 -3.03 0.00 0.00 36.82 33.69 2jx3 h ILE 83 CO 0.01 0.00 0.19 0.00 -0.68 0.00 0.00 178.15 177.67 2jx3 h GLU 85 N 0.14 0.15 -0.79 0.00 4.81 -0.53 -3.15 114.58 115.21 2jx3 h GLU 85 Ca 0.57 -0.01 -0.34 0.00 -0.13 0.00 0.00 59.36 59.45 2jx3 h GLU 85 Cb 1.19 -0.03 -0.25 0.00 0.63 0.00 0.00 28.75 30.29 2jx3 h GLU 85 CO -0.73 0.10 -0.74 0.28 -0.73 0.00 0.00 179.01 177.19 2jx3 n VAL 86 N -4.42 -0.14 -2.55 0.32 0.31 0.44 -4.95 118.33 107.34 2jx3 n VAL 86 Ca 0.30 -2.64 -0.02 0.00 -0.01 0.00 0.00 64.34 61.97 2jx3 n VAL 86 Cb 1.23 0.57 0.05 0.00 -0.91 0.00 0.00 33.84 34.78 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 0.76 1.93 -2.79 7.52 7.94 0.35 -4.56 117.00 128.16 2jx3 n LEU 87 Ca 0.14 -3.02 -0.20 0.00 -1.11 0.00 0.00 56.01 51.81 2jx3 n LEU 87 Cb 0.65 0.17 0.04 0.00 0.53 0.00 0.00 43.42 44.81 2jx3 n LEU 87 CO 0.10 1.05 0.05 -0.67 -1.11 0.00 0.00 177.39 176.81 2jx3 n ASP 88 N -0.34 -5.65 -0.63 1.96 -0.08 -1.26 -4.94 116.55 105.61 2jx3 n ASP 88 Ca 0.12 -0.30 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 2jx3 n ASP 88 Cb 0.91 -4.43 0.00 0.00 2.34 0.00 0.00 41.12 39.94 2jx3 n ASP 88 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2jx3 n LEU 89 N -3.76 0.00 0.00 -2.67 4.32 -1.26 -4.97 117.00 108.65 2jx3 n LEU 89 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.91 2jx3 n LEU 89 Cb 0.59 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.39 2jx3 n LEU 89 CO 0.45 0.00 0.18 1.21 -1.22 0.00 0.00 177.39 178.01 2jx3 n GLU 90 N 0.00 0.00 -3.42 3.23 2.13 -1.26 -5.01 120.64 116.31 2jx3 n GLU 90 Ca 0.00 -0.37 -0.35 0.00 0.66 0.00 0.00 57.16 57.11 2jx3 n GLU 90 Cb 0.00 -0.39 0.03 0.00 0.27 0.00 0.00 31.44 31.36 2jx3 n GLU 90 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2jx3 n ARG 91 N 0.00 -1.96 -3.42 5.31 0.00 -1.26 -4.99 116.66 110.33 2jx3 n ARG 91 Ca 0.00 1.51 -0.05 0.00 -0.00 0.00 0.00 57.85 59.31 2jx3 n ARG 91 Cb 0.49 -2.50 -0.06 0.00 0.00 0.00 0.00 32.46 30.39 2jx3 n ARG 91 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2jx3 s SER 92 N -1.60 -0.43 0.00 6.15 0.01 -1.26 -5.14 113.70 111.42 2jx3 s SER 92 Ca 0.36 0.75 0.00 0.00 1.31 0.00 0.00 55.95 58.37 2jx3 s SER 92 Cb -0.04 1.56 0.00 0.00 0.21 0.00 0.00 66.02 67.75 2jx3 s SER 92 CO 0.85 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.84 2jx3 n GLY 93 N 5.40 -0.55 2.98 3.44 0.00 -1.26 -4.91 105.19 110.28 2jx3 n GLY 93 Ca -0.05 -1.65 -0.18 0.00 0.00 0.00 0.00 46.02 44.13 2jx3 n GLY 93 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2jx3 n VAL 94 N 1.62 0.00 -0.19 1.61 0.24 -1.26 -4.82 118.33 115.53 2jx3 n VAL 94 Ca 0.00 -1.61 0.00 0.00 -2.04 0.00 0.00 64.34 60.69 2jx3 n VAL 94 Cb 0.00 -0.34 0.10 0.00 -1.47 0.00 0.00 33.84 32.13 2jx3 n VAL 94 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 2jx3 h ASN 95 N 0.32 0.02 0.78 -1.34 4.21 -2.01 0.62 115.58 118.18 2jx3 h ASN 95 Ca -0.24 0.11 -0.04 0.00 1.21 0.00 0.00 56.30 57.33 2jx3 h ASN 95 Cb 0.98 0.14 0.01 0.00 -1.12 0.00 0.00 38.32 38.32 2jx3 h ASN 95 CO 0.37 0.02 -0.37 0.28 -1.29 0.00 0.00 177.43 176.44 2jx3 h SER 96 N 0.27 -0.88 -0.07 5.81 0.02 -2.00 -2.02 113.55 114.67 2jx3 h SER 96 Ca 0.30 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.29 2jx3 h SER 96 Cb 0.44 0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.21 2jx3 h SER 96 CO -0.38 -0.54 0.07 -0.08 -1.14 0.00 0.00 176.83 174.77 2jx3 h GLU 97 N -1.22 0.00 0.38 3.45 4.81 -1.87 -1.69 114.58 118.44 2jx3 h GLU 97 Ca -0.11 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 2jx3 h GLU 97 Cb 0.81 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.20 2jx3 h GLU 97 CO 0.18 0.00 -0.18 -0.07 -0.73 0.00 0.00 179.01 178.20 2jx3 h LEU 98 N 0.00 -0.43 0.88 1.64 3.38 0.51 -1.45 115.31 119.84 2jx3 h LEU 98 Ca 0.03 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 2jx3 h LEU 98 Cb 0.18 0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.05 2jx3 h LEU 98 CO -0.00 -0.03 -0.43 0.58 0.09 0.00 0.00 178.44 178.65 2jx3 h VAL 99 N -0.92 0.12 -1.19 1.22 2.07 -1.02 -1.90 116.25 114.62 2jx3 h VAL 99 Ca -0.05 0.00 0.34 0.00 0.82 0.00 0.00 66.70 67.81 2jx3 h VAL 99 Cb 0.54 0.12 -0.07 0.00 -1.52 0.00 0.00 31.29 30.36 2jx3 h VAL 99 CO 0.09 0.00 0.83 0.50 0.02 0.00 0.00 177.57 179.00 2jx3 h LYS 100 N -1.20 0.12 -0.17 1.57 1.63 -1.42 0.89 116.57 118.00 2jx3 h LYS 100 Ca -0.12 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.66 2jx3 h LYS 100 Cb 0.92 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.52 2jx3 h LYS 100 CO 0.19 0.08 0.07 0.00 -3.45 0.00 0.00 179.45 176.33 2jx3 h ARG 101 N 0.12 0.25 -0.12 1.90 2.47 -0.44 -2.33 114.38 116.23 2jx3 h ARG 101 Ca 0.61 -0.04 0.01 0.00 -1.26 0.00 0.00 59.98 59.29 2jx3 h ARG 101 Cb 2.14 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 30.42 2jx3 h ARG 101 CO -0.12 0.33 0.08 -0.84 0.56 0.00 0.00 179.97 179.97 2jx3 h ILE 102 N 0.11 1.01 0.00 2.04 -0.00 -0.58 0.93 117.51 121.02 2jx3 h ILE 102 Ca 0.06 -0.04 -0.05 0.00 -0.00 0.00 0.00 64.86 64.82 2jx3 h ILE 102 Cb 0.17 0.88 -0.01 0.00 -0.00 0.00 0.00 36.82 37.86 2jx3 h ILE 102 CO -0.00 0.02 -0.23 -0.07 -0.00 0.00 0.00 178.15 177.87 2jx3 h LEU 103 N 0.12 0.00 0.00 0.16 3.38 -1.18 0.39 115.31 118.18 2jx3 h LEU 103 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2jx3 h LEU 103 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2jx3 h LEU 103 CO -0.01 0.23 -0.90 0.59 0.09 0.00 0.00 178.44 178.44 2jx3 n ASN 104 N -3.59 0.75 -0.09 -0.43 3.02 0.22 -3.49 115.26 111.65 2jx3 n ASN 104 Ca -0.01 0.16 -0.13 0.00 -0.03 0.00 0.00 54.58 54.57 2jx3 n ASN 104 Cb 0.37 0.44 -0.04 0.00 -0.61 0.00 0.00 39.78 39.94 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 -2.37 0.00 0.19 3.10 -0.00 -0.59 -3.89 117.46 113.91 2jx3 n PHE 105 Ca 0.01 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.52 2jx3 n PHE 105 Cb 0.50 -0.57 0.27 0.00 -0.00 0.00 0.00 39.48 39.68 2jx3 n PHE 105 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 2jx3 n LEU 106 N -4.25 0.22 0.00 -2.13 4.32 0.13 -0.28 117.00 115.01 2jx3 n LEU 106 Ca -0.23 0.58 0.11 0.00 -0.02 0.00 0.00 56.01 56.45 2jx3 n LEU 106 Cb 0.57 -0.59 0.00 0.00 -1.62 0.00 0.00 43.42 41.78 2jx3 n LEU 106 CO 0.13 -0.57 0.09 0.80 -1.22 0.00 0.00 177.39 176.63 2jx3 n MET 107 N -1.77 0.04 0.00 3.23 1.56 -1.19 -3.77 117.12 115.22 2jx3 n MET 107 Ca 0.01 -0.01 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 2jx3 n MET 107 Cb 0.07 -1.51 0.00 0.00 2.15 0.00 0.00 33.22 33.93 2jx3 n MET 107 CO 0.00 0.00 0.00 0.72 -0.73 0.00 0.00 175.97 175.96 2jx3 n HIS 108 N -1.56 0.00 0.20 1.12 8.25 0.62 -3.13 115.22 120.71 2jx3 n HIS 108 Ca 0.04 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.42 2jx3 n HIS 108 Cb 0.35 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.42 2jx3 n HIS 108 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2jx3 h PRO 109 N 0.00 -0.52 0.00 -0.41 0.13 -1.38 -3.40 132.00 126.41 2jx3 h PRO 109 Ca 0.00 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2jx3 h PRO 109 Cb 0.00 0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.25 2jx3 h PRO 109 CO 0.00 -0.35 0.00 1.17 -0.23 0.00 0.00 178.00 178.59