#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jvj n MET 2 N 0.00 0.00 -0.02 2.12 0.00 -1.26 -4.60 117.12 113.35 2jvj n MET 2 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.70 57.71 2jvj n MET 2 Cb 0.00 -0.92 0.02 0.00 0.00 0.00 0.00 33.22 32.32 2jvj n MET 2 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 2jvj n ASN 3 N 0.54 0.27 -4.70 6.12 5.03 -1.26 -4.78 115.26 116.48 2jvj n ASN 3 Ca 0.00 -2.00 -0.42 0.00 0.87 0.00 0.00 54.58 53.03 2jvj n ASN 3 Cb 0.00 -0.04 -0.03 0.00 -1.02 0.00 0.00 39.78 38.69 2jvj n ASN 3 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.26 173.60 2jvj s GLU 4 N -1.92 4.50 -0.10 3.52 1.03 -1.26 -4.92 118.70 119.54 2jvj s GLU 4 Ca 0.03 1.36 -0.07 0.00 0.03 0.00 0.00 54.97 56.32 2jvj s GLU 4 Cb 0.02 -3.49 0.04 0.00 -0.80 0.00 0.00 34.13 29.90 2jvj s GLU 4 CO 0.02 -0.13 0.25 0.15 -1.33 0.00 0.00 175.26 174.22 2jvj s LYS 5 N 1.34 0.24 -0.01 -4.83 1.02 -1.26 0.04 119.74 116.28 2jvj s LYS 5 Ca 0.49 0.47 -0.08 0.00 0.02 0.00 0.00 55.97 56.87 2jvj s LYS 5 Cb -0.20 -0.02 0.01 0.00 -0.52 0.00 0.00 37.83 37.10 2jvj s LYS 5 CO 0.24 -0.12 0.17 0.42 -0.92 0.00 0.00 175.35 175.14 2jvj s ILE 6 N 0.85 0.07 -0.20 2.17 1.01 -1.11 -0.51 121.20 123.48 2jvj s ILE 6 Ca -0.06 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 60.02 2jvj s ILE 6 Cb -0.07 -0.44 0.04 0.00 0.01 0.00 0.00 42.46 42.00 2jvj s ILE 6 CO -0.05 -0.32 -0.11 -0.22 0.00 0.00 0.00 174.94 174.24 2jvj s LEU 7 N -1.20 2.36 -0.29 2.97 1.98 0.23 -0.89 118.68 123.84 2jvj s LEU 7 Ca -0.13 -0.92 -0.15 0.00 -2.89 0.00 0.00 54.13 50.05 2jvj s LEU 7 Cb -0.07 -1.27 -0.03 0.00 0.66 0.00 0.00 46.19 45.48 2jvj s LEU 7 CO 0.02 -0.14 0.35 -0.63 -1.89 0.00 0.00 176.35 174.06 2jvj s ILE 8 N 1.37 5.18 -0.28 6.68 1.09 0.52 0.16 121.20 135.92 2jvj s ILE 8 Ca -0.02 0.38 -0.02 0.00 -1.10 0.00 0.00 60.65 59.90 2jvj s ILE 8 Cb -0.16 -3.72 0.04 0.00 -1.06 0.00 0.00 42.46 37.56 2jvj s ILE 8 CO -0.08 0.09 -0.02 -0.69 -0.10 0.00 0.00 174.94 174.14 2jvj s VAL 9 N 2.03 2.97 -0.04 2.92 1.01 0.26 -0.39 120.40 129.15 2jvj s VAL 9 Ca 0.13 -1.23 -0.30 0.00 0.00 0.00 0.00 61.98 60.59 2jvj s VAL 9 Cb -0.16 -2.63 0.11 0.00 0.00 0.00 0.00 36.38 33.70 2jvj s VAL 9 CO 0.11 0.01 0.94 1.51 0.00 0.00 0.00 175.10 177.67 2jvj s ASP 10 N 1.29 -0.34 -0.21 3.32 1.47 -0.11 -1.11 116.67 120.98 2jvj s ASP 10 Ca -0.03 0.03 0.15 0.00 1.18 0.00 0.00 52.55 53.88 2jvj s ASP 10 Cb -0.18 0.35 0.73 0.00 -0.34 0.00 0.00 42.92 43.47 2jvj s ASP 10 CO -0.02 -0.55 1.65 -0.67 0.68 0.00 0.00 175.17 176.26 2jvj n ASP 11 N -0.15 5.12 -4.77 2.11 2.03 -1.26 -4.31 116.55 115.32 2jvj n ASP 11 Ca -0.08 -2.89 -0.40 0.00 0.52 0.00 0.00 54.79 51.94 2jvj n ASP 11 Cb 0.61 -0.63 -0.03 0.00 -0.72 0.00 0.00 41.12 40.35 2jvj n ASP 11 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2jvj s GLN 12 N -2.67 4.39 0.57 -0.67 -1.52 -1.26 -4.90 119.66 113.60 2jvj s GLN 12 Ca 0.51 1.90 0.26 0.00 -1.95 0.00 0.00 55.36 56.08 2jvj s GLN 12 Cb 0.38 -2.99 1.57 0.00 -0.22 0.00 0.00 33.01 31.75 2jvj s GLN 12 CO 0.15 -0.04 2.12 1.88 -0.25 0.00 0.00 175.29 179.15 2jvj h TYR 13 N 3.33 0.00 0.00 0.91 0.05 -2.05 -3.31 116.97 115.91 2jvj h TYR 13 Ca -0.48 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.30 2jvj h TYR 13 Cb 1.22 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.96 2jvj h TYR 13 CO 0.57 0.00 -0.05 0.41 -1.05 0.00 0.00 178.16 178.04 2jvj n GLY 14 N -1.45 0.37 0.15 3.88 0.00 -1.26 -4.94 105.19 101.94 2jvj n GLY 14 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 2jvj n GLY 14 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2jvj h ILE 15 N 4.01 1.41 -0.86 -0.61 1.08 -1.98 -2.45 117.51 118.10 2jvj h ILE 15 Ca 0.00 -2.01 0.19 0.00 -0.39 0.00 0.00 64.86 62.65 2jvj h ILE 15 Cb 1.04 2.49 -0.11 0.00 -3.07 0.00 0.00 36.82 37.17 2jvj h ILE 15 CO 0.00 0.59 0.38 0.03 -0.69 0.00 0.00 178.15 178.46 2jvj h ARG 16 N -0.05 0.44 0.00 2.37 3.08 -1.91 -1.16 114.38 117.16 2jvj h ARG 16 Ca -0.06 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 59.83 2jvj h ARG 16 Cb 1.27 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 31.20 2jvj h ARG 16 CO 0.11 0.29 -0.97 0.97 -1.07 0.00 0.00 179.97 179.30 2jvj h ILE 17 N 0.45 0.62 -0.60 2.04 6.09 -1.92 -3.08 117.51 121.13 2jvj h ILE 17 Ca 0.51 -2.02 0.07 0.00 -1.37 0.00 0.00 64.86 62.05 2jvj h ILE 17 Cb 0.89 2.17 -0.06 0.00 0.47 0.00 0.00 36.82 40.29 2jvj h ILE 17 CO -0.47 0.35 0.28 -0.07 -3.07 0.00 0.00 178.15 175.18 2jvj h LEU 18 N 0.00 0.38 -1.63 2.19 3.38 -0.73 -0.61 115.31 118.29 2jvj h LEU 18 Ca -0.08 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2jvj h LEU 18 Cb 1.45 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 2jvj h LEU 18 CO 0.05 0.24 0.00 -0.07 0.09 0.00 0.00 178.44 178.75 2jvj h LEU 19 N 0.52 0.21 0.23 1.67 -0.00 -1.33 -1.85 115.31 114.75 2jvj h LEU 19 Ca 0.28 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 58.13 2jvj h LEU 19 Cb 0.25 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.86 2jvj h LEU 19 CO -0.22 0.25 -0.11 0.78 -0.00 0.00 0.00 178.44 179.14 2jvj h ASN 20 N 0.23 -0.26 -0.31 -0.43 -0.26 -1.06 0.76 115.58 114.25 2jvj h ASN 20 Ca 0.06 -0.06 -0.03 0.00 -0.56 0.00 0.00 56.30 55.70 2jvj h ASN 20 Cb 0.16 0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 37.47 2jvj h ASN 20 CO 0.00 -0.10 0.11 -0.33 -1.06 0.00 0.00 177.43 176.05 2jvj h GLU 21 N -0.40 0.55 0.72 0.81 4.39 -1.01 0.29 114.58 119.93 2jvj h GLU 21 Ca -0.03 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 2jvj h GLU 21 Cb 0.31 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2jvj h GLU 21 CO 0.05 0.50 -0.35 0.28 -1.16 0.00 0.00 179.01 178.33 2jvj h VAL 22 N 0.54 0.00 0.00 3.13 2.07 -1.08 -3.43 116.25 117.48 2jvj h VAL 22 Ca 0.13 -0.28 -0.24 0.00 0.82 0.00 0.00 66.70 67.14 2jvj h VAL 22 Cb 0.19 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.91 2jvj h VAL 22 CO -0.01 0.00 -1.88 0.49 0.02 0.00 0.00 177.57 176.19 2jvj n PHE 23 N -5.37 0.00 -0.33 1.57 3.72 0.24 -4.21 117.46 113.08 2jvj n PHE 23 Ca -0.12 0.00 0.28 0.00 -0.05 0.00 0.00 57.45 57.56 2jvj n PHE 23 Cb 0.38 -0.59 0.59 0.00 -0.94 0.00 0.00 39.48 38.93 2jvj n PHE 23 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 2jvj h ASN 24 N -0.06 0.29 0.26 4.37 -0.73 -0.29 0.96 115.58 120.38 2jvj h ASN 24 Ca -0.35 0.06 -0.34 0.00 1.87 0.00 0.00 56.30 57.54 2jvj h ASN 24 Cb 1.51 0.02 -0.00 0.00 0.27 0.00 0.00 38.32 40.12 2jvj h ASN 24 CO -0.07 0.04 -1.74 0.07 -0.37 0.00 0.00 177.43 175.35 2jvj h LYS 25 N 0.25 0.32 0.00 6.67 2.10 -1.66 -3.40 116.57 120.84 2jvj h LYS 25 Ca 0.60 -0.54 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 2jvj h LYS 25 Cb 1.81 0.20 0.00 0.00 -0.90 0.00 0.00 32.23 33.34 2jvj h LYS 25 CO -0.21 1.21 -0.53 -0.85 -2.00 0.00 0.00 179.45 177.07 2jvj n GLU 26 N -3.51 1.16 -0.08 0.07 0.28 0.38 -4.90 120.64 114.05 2jvj n GLU 26 Ca -0.24 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.56 2jvj n GLU 26 Cb 1.06 -0.76 -0.12 0.00 1.43 0.00 0.00 31.44 33.05 2jvj n GLU 26 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 2jvj h GLY 27 N 0.00 0.06 0.00 -1.84 0.00 0.45 -3.45 103.07 98.28 2jvj h GLY 27 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2jvj h GLY 27 CO 0.00 0.13 0.00 -1.72 0.00 0.00 0.00 176.54 174.95 2jvj n TYR 28 N -4.33 -0.18 -2.59 5.60 4.01 0.19 -4.75 117.16 115.12 2jvj n TYR 28 Ca -0.28 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.17 2jvj n TYR 28 Cb 0.71 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.73 2jvj n TYR 28 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 2jvj n GLN 29 N 0.00 3.42 -2.23 -0.72 -0.06 0.11 -2.93 117.38 114.97 2jvj n GLN 29 Ca 0.00 -4.54 -0.43 0.00 -2.00 0.00 0.00 57.00 50.03 2jvj n GLN 29 Cb 0.00 -2.26 -0.02 0.00 -4.06 0.00 0.00 30.24 23.90 2jvj n GLN 29 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 2jvj s THR 30 N -5.09 3.76 0.49 1.69 -4.23 -1.16 -2.73 115.64 108.36 2jvj s THR 30 Ca 0.48 0.77 0.06 0.00 -1.18 0.00 0.00 61.69 61.82 2jvj s THR 30 Cb 0.35 -4.02 0.00 0.00 1.34 0.00 0.00 72.50 70.18 2jvj s THR 30 CO -0.19 -0.64 0.30 0.12 -0.54 0.00 0.00 174.62 173.67 2jvj s PHE 31 N 5.92 2.05 -0.03 3.99 5.36 -0.07 -4.10 117.98 131.09 2jvj s PHE 31 Ca 0.68 -0.74 0.01 0.00 -0.96 0.00 0.00 56.93 55.92 2jvj s PHE 31 Cb -0.17 -1.93 -0.03 0.00 -0.34 0.00 0.00 43.02 40.55 2jvj s PHE 31 CO 0.33 -0.19 -0.05 1.14 -1.46 0.00 0.00 175.22 174.99 2jvj s GLN 32 N -4.13 2.71 -0.04 10.12 0.00 -1.26 -0.35 119.66 126.72 2jvj s GLN 32 Ca 0.35 -0.60 0.01 0.00 -0.00 0.00 0.00 55.36 55.11 2jvj s GLN 32 Cb -0.00 -2.60 0.02 0.00 0.00 0.00 0.00 33.01 30.43 2jvj s GLN 32 CO 0.21 0.64 -0.03 0.00 0.00 0.00 0.00 175.29 176.11 2jvj s ALA 33 N -0.93 0.52 -0.86 2.60 0.00 0.47 -4.87 121.76 118.70 2jvj s ALA 33 Ca 0.15 0.03 0.24 0.00 0.00 0.00 0.00 51.96 52.39 2jvj s ALA 33 Cb -0.11 -0.36 0.40 0.00 0.00 0.00 0.00 23.12 23.05 2jvj s ALA 33 CO 0.05 -0.02 1.34 0.00 0.00 0.00 0.00 175.76 177.13 2jvj n ALA 34 N 4.03 3.37 -2.82 0.00 0.00 -1.26 -0.93 120.51 122.89 2jvj n ALA 34 Ca -0.26 -0.33 -0.10 0.00 0.00 0.00 0.00 53.44 52.76 2jvj n ALA 34 Cb 0.51 -1.11 -0.10 0.00 0.00 0.00 0.00 19.45 18.74 2jvj n ALA 34 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2jvj s ASN 35 N -3.44 0.18 0.62 0.00 0.01 -1.26 -4.45 114.94 106.60 2jvj s ASN 35 Ca 0.09 -0.48 0.38 0.00 -0.71 0.00 0.00 52.86 52.13 2jvj s ASN 35 Cb 0.16 0.19 2.10 0.00 0.41 0.00 0.00 41.25 44.11 2jvj s ASN 35 CO 0.72 -0.44 2.29 1.23 -1.51 0.00 0.00 177.10 179.39 2jvj h GLY 36 N 3.97 0.00 1.67 0.66 0.00 -1.87 0.17 103.07 107.67 2jvj h GLY 36 Ca -0.32 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.82 2jvj h GLY 36 CO 0.47 0.00 -0.80 -2.00 0.00 0.00 0.00 176.54 174.22 2jvj h LEU 37 N 0.00 0.39 -0.66 3.11 7.12 -1.93 0.27 115.31 123.60 2jvj h LEU 37 Ca -0.00 -0.28 -0.14 0.00 0.13 0.00 0.00 57.88 57.59 2jvj h LEU 37 Cb 0.06 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 40.07 2jvj h LEU 37 CO 0.00 1.04 -0.58 -0.61 -0.13 0.00 0.00 178.44 178.15 2jvj h GLN 38 N 0.20 0.27 -0.75 1.25 -0.00 -1.40 0.03 115.11 114.71 2jvj h GLN 38 Ca -0.04 -0.18 -0.04 0.00 -0.00 0.00 0.00 58.65 58.39 2jvj h GLN 38 Cb 1.39 0.02 -0.03 0.00 0.00 0.00 0.00 27.48 28.86 2jvj h GLN 38 CO 0.13 0.77 0.31 0.00 0.00 0.00 0.00 178.83 180.05 2jvj h ALA 39 N 1.19 0.97 -0.31 3.38 0.00 -0.23 -1.03 119.26 123.22 2jvj h ALA 39 Ca -0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2jvj h ALA 39 Cb 1.08 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2jvj h ALA 39 CO 0.09 0.58 -0.07 1.25 0.00 0.00 0.00 179.25 181.10 2jvj h LEU 40 N 1.07 0.48 -0.20 0.00 7.12 -0.20 0.57 115.31 124.15 2jvj h LEU 40 Ca 0.25 -0.11 0.05 0.00 0.13 0.00 0.00 57.88 58.20 2jvj h LEU 40 Cb 0.19 -0.13 -0.05 0.00 -0.53 0.00 0.00 40.66 40.15 2jvj h LEU 40 CO -0.02 0.60 -0.10 -0.78 -0.13 0.00 0.00 178.44 178.01 2jvj h ASP 41 N 0.48 -0.33 0.64 1.25 3.58 -0.01 -0.26 116.42 121.77 2jvj h ASP 41 Ca 0.09 0.08 -0.13 0.00 0.42 0.00 0.00 57.03 57.50 2jvj h ASP 41 Cb 0.42 0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 2jvj h ASP 41 CO 0.02 -0.13 -0.60 0.40 -2.88 0.00 0.00 179.24 176.05 2jvj h ILE 42 N -0.08 1.40 -0.06 2.25 1.08 -0.57 0.11 117.51 121.65 2jvj h ILE 42 Ca 0.11 -2.08 0.00 0.00 -0.39 0.00 0.00 64.86 62.50 2jvj h ILE 42 Cb 0.24 2.13 -0.00 0.00 -3.07 0.00 0.00 36.82 36.12 2jvj h ILE 42 CO -0.25 0.59 0.04 0.58 -0.69 0.00 0.00 178.15 178.41 2jvj h VAL 43 N 0.00 1.01 0.00 1.67 2.07 0.12 0.83 116.25 121.95 2jvj h VAL 43 Ca -0.01 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2jvj h VAL 43 Cb 1.08 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2jvj h VAL 43 CO 0.08 0.01 -1.46 1.07 0.02 0.00 0.00 177.57 177.29 2jvj n THR 44 N -4.53 0.10 -0.04 2.57 5.66 -0.21 -2.94 114.28 114.90 2jvj n THR 44 Ca -0.02 -0.34 -0.01 0.00 -3.05 0.00 0.00 64.05 60.63 2jvj n THR 44 Cb 0.09 0.21 -0.00 0.00 -1.55 0.00 0.00 70.33 69.08 2jvj n THR 44 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2jvj h LYS 45 N 0.00 0.00 0.00 1.09 1.57 0.53 -3.42 116.57 116.34 2jvj h LYS 45 Ca 0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 2jvj h LYS 45 Cb 0.83 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.10 2jvj h LYS 45 CO 0.00 0.00 -2.20 0.39 -0.57 0.00 0.00 179.45 177.07 2jvj n GLU 46 N -3.96 0.71 -3.06 3.15 1.02 0.27 -5.03 120.64 113.74 2jvj n GLU 46 Ca -0.02 -0.09 -0.13 0.00 -0.02 0.00 0.00 57.16 56.90 2jvj n GLU 46 Cb 0.06 -1.51 0.06 0.00 -0.02 0.00 0.00 31.44 30.04 2jvj n GLU 46 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2jvj n ARG 47 N -2.53 -3.06 -1.88 3.49 5.12 0.12 -4.98 116.66 112.93 2jvj n ARG 47 Ca -0.21 0.74 -0.38 0.00 -1.93 0.00 0.00 57.85 56.08 2jvj n ARG 47 Cb 0.90 -5.26 0.04 0.00 -1.16 0.00 0.00 32.46 26.98 2jvj n ARG 47 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 2jvj s PRO 48 N -4.48 3.13 0.12 5.56 0.02 -1.26 -4.92 135.00 133.17 2jvj s PRO 48 Ca 0.27 2.09 0.21 0.00 0.02 0.00 0.00 61.00 63.59 2jvj s PRO 48 Cb -0.04 -2.18 -0.09 0.00 0.02 0.00 0.00 34.50 32.22 2jvj s PRO 48 CO 0.63 -1.15 0.89 -0.25 -0.33 0.00 0.00 177.00 176.79 2jvj n ASP 49 N -1.14 0.74 -4.22 2.53 8.00 0.33 -4.83 116.55 117.96 2jvj n ASP 49 Ca 0.11 0.30 -0.25 0.00 0.71 0.00 0.00 54.79 55.66 2jvj n ASP 49 Cb 0.46 0.55 -0.15 0.00 -0.02 0.00 0.00 41.12 41.97 2jvj n ASP 49 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2jvj s LEU 50 N -5.39 2.12 -0.15 0.64 1.02 -0.29 -1.39 118.68 115.23 2jvj s LEU 50 Ca -0.02 -0.45 -0.00 0.00 0.02 0.00 0.00 54.13 53.68 2jvj s LEU 50 Cb 0.10 -0.94 0.03 0.00 0.02 0.00 0.00 46.19 45.40 2jvj s LEU 50 CO 0.81 0.18 -0.09 -0.69 0.02 0.00 0.00 176.35 176.57 2jvj s VAL 51 N -0.67 1.30 -0.35 -1.59 1.01 -0.80 0.77 120.40 120.07 2jvj s VAL 51 Ca 0.07 -0.57 -0.26 0.00 0.00 0.00 0.00 61.98 61.21 2jvj s VAL 51 Cb -0.08 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 34.99 2jvj s VAL 51 CO 0.01 0.31 0.94 -0.76 0.00 0.00 0.00 175.10 175.60 2jvj s LEU 52 N 1.58 3.99 -0.10 3.92 1.43 0.41 0.53 118.68 130.45 2jvj s LEU 52 Ca 0.03 0.66 0.01 0.00 -1.03 0.00 0.00 54.13 53.81 2jvj s LEU 52 Cb -0.14 -3.29 0.02 0.00 0.03 0.00 0.00 46.19 42.81 2jvj s LEU 52 CO -0.09 -0.84 -0.12 -0.22 0.23 0.00 0.00 176.35 175.32 2jvj s LEU 53 N 3.45 1.53 -0.15 1.79 2.96 -0.43 0.90 118.68 128.73 2jvj s LEU 53 Ca 0.39 -0.35 -0.08 0.00 -0.22 0.00 0.00 54.13 53.87 2jvj s LEU 53 Cb -0.12 -0.92 -0.04 0.00 0.50 0.00 0.00 46.19 45.60 2jvj s LEU 53 CO 0.18 -0.02 0.12 -0.62 -1.32 0.00 0.00 176.35 174.68 2jvj s ASP 54 N 1.12 6.14 0.15 3.68 2.15 -0.27 -1.74 116.67 127.90 2jvj s ASP 54 Ca -0.05 0.32 0.22 0.00 0.43 0.00 0.00 52.55 53.47 2jvj s ASP 54 Cb -0.14 -2.02 -0.05 0.00 -0.30 0.00 0.00 42.92 40.41 2jvj s ASP 54 CO -0.02 0.30 0.95 0.80 -0.17 0.00 0.00 175.17 177.03 2jvj n MET 55 N 2.70 0.58 0.00 4.34 0.00 -1.26 -3.68 117.12 119.80 2jvj n MET 55 Ca -0.18 0.05 0.03 0.00 -0.00 0.00 0.00 57.70 57.60 2jvj n MET 55 Cb 0.54 -1.75 0.19 0.00 0.00 0.00 0.00 33.22 32.20 2jvj n MET 55 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2jvj n LYS 56 N -2.53 0.92 -2.59 2.12 5.02 -1.26 -4.12 118.16 115.72 2jvj n LYS 56 Ca -0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 2jvj n LYS 56 Cb 0.54 -1.11 -0.02 0.00 -0.02 0.00 0.00 35.03 34.42 2jvj n LYS 56 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2jvj s ILE 57 N -2.00 4.56 0.16 -0.18 -1.16 -1.24 -4.97 121.20 116.37 2jvj s ILE 57 Ca 0.10 1.86 -0.32 0.00 -0.51 0.00 0.00 60.65 61.78 2jvj s ILE 57 Cb 0.04 -4.20 -0.11 0.00 0.61 0.00 0.00 42.46 38.80 2jvj s ILE 57 CO 0.07 -0.05 1.79 -2.65 -2.81 0.00 0.00 174.94 171.30 2jvj n PRO 58 N 5.51 2.78 0.00 3.50 -0.02 -1.26 -4.09 135.00 141.42 2jvj n PRO 58 Ca 0.11 1.01 0.00 0.00 -2.02 0.00 0.00 63.50 62.60 2jvj n PRO 58 Cb 0.47 -2.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.07 2jvj n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jvj n GLY 59 N 4.12 1.69 3.69 -1.23 0.00 -1.26 -4.60 105.19 107.60 2jvj n GLY 59 Ca 0.17 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 45.37 2jvj n GLY 59 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jvj s MET 60 N 0.00 2.32 -0.79 1.61 -1.94 -1.26 -5.06 119.30 114.18 2jvj s MET 60 Ca 0.00 -1.51 -0.24 0.00 -1.71 0.00 0.00 55.69 52.23 2jvj s MET 60 Cb 0.00 -2.15 0.06 0.00 2.01 0.00 0.00 34.83 34.75 2jvj s MET 60 CO 0.00 0.22 1.19 -0.51 -0.01 0.00 0.00 175.02 175.91 2jvj s ASP 61 N -3.77 6.28 0.50 3.03 1.01 -1.26 -4.59 116.67 117.88 2jvj s ASP 61 Ca 0.35 -0.99 0.28 0.00 0.71 0.00 0.00 52.55 52.90 2jvj s ASP 61 Cb -0.04 -2.50 1.38 0.00 1.01 0.00 0.00 42.92 42.77 2jvj s ASP 61 CO 0.21 -1.57 1.86 1.23 0.21 0.00 0.00 175.17 177.12 2jvj h GLY 62 N 12.16 0.30 1.00 0.21 0.00 -1.72 0.04 103.07 115.07 2jvj h GLY 62 Ca -0.14 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.13 2jvj h GLY 62 CO 1.26 -0.02 0.30 1.19 0.00 0.00 0.00 176.54 179.27 2jvj h ILE 63 N 0.12 1.13 -0.37 2.60 6.09 -1.84 0.11 117.51 125.35 2jvj h ILE 63 Ca 0.47 -0.27 0.04 0.00 -1.37 0.00 0.00 64.86 63.72 2jvj h ILE 63 Cb 1.66 0.47 -0.04 0.00 0.47 0.00 0.00 36.82 39.38 2jvj h ILE 63 CO -0.07 0.13 0.15 -0.33 -3.07 0.00 0.00 178.15 174.96 2jvj h GLU 64 N 0.63 0.31 -0.74 2.19 4.39 -1.40 -1.36 114.58 118.61 2jvj h GLU 64 Ca 0.17 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.81 2jvj h GLU 64 Cb -0.04 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.50 2jvj h GLU 64 CO -0.03 0.21 0.31 0.82 -1.16 0.00 0.00 179.01 179.16 2jvj h ILE 65 N 0.32 1.25 -0.50 3.13 5.03 -1.26 -1.95 117.51 123.53 2jvj h ILE 65 Ca 0.16 -0.75 0.03 0.00 -0.12 0.00 0.00 64.86 64.18 2jvj h ILE 65 Cb 0.11 0.34 -0.04 0.00 -3.03 0.00 0.00 36.82 34.20 2jvj h ILE 65 CO -0.14 0.31 0.28 0.25 -0.68 0.00 0.00 178.15 178.16 2jvj h LEU 66 N 1.07 0.42 -0.48 1.44 7.12 -0.01 0.44 115.31 125.32 2jvj h LEU 66 Ca 0.25 0.02 -0.00 0.00 0.13 0.00 0.00 57.88 58.28 2jvj h LEU 66 Cb 0.18 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.22 2jvj h LEU 66 CO -0.02 0.30 0.29 0.11 -0.13 0.00 0.00 178.44 178.98 2jvj h LYS 67 N 0.54 0.64 -0.60 1.25 1.57 -0.82 -0.97 116.57 118.20 2jvj h LYS 67 Ca 0.21 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2jvj h LYS 67 Cb 0.08 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 2jvj h LYS 67 CO -0.12 0.46 0.32 -0.09 -0.57 0.00 0.00 179.45 179.44 2jvj h ARG 68 N 0.64 0.84 0.19 3.15 2.43 -0.72 -0.85 114.38 120.06 2jvj h ARG 68 Ca 0.17 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2jvj h ARG 68 Cb -0.02 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 2jvj h ARG 68 CO -0.03 0.65 -0.22 0.52 -1.51 0.00 0.00 179.97 179.38 2jvj h MET 69 N 0.81 -0.43 -0.71 0.20 2.86 0.48 0.82 114.93 118.97 2jvj h MET 69 Ca 0.21 0.03 0.09 0.00 -2.06 0.00 0.00 59.70 57.97 2jvj h MET 69 Cb 0.06 0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.78 2jvj h MET 69 CO -0.03 -0.29 0.47 1.57 1.06 0.00 0.00 176.91 179.69 2jvj h LYS 70 N -0.45 0.58 -0.14 1.72 5.09 -1.16 -0.24 116.57 121.96 2jvj h LYS 70 Ca 0.01 -0.03 -0.10 0.00 0.09 0.00 0.00 60.65 60.61 2jvj h LYS 70 Cb 0.43 -0.13 -0.01 0.00 0.10 0.00 0.00 32.23 32.62 2jvj h LYS 70 CO -0.07 0.38 -0.34 0.28 -2.09 0.00 0.00 179.45 177.61 2jvj h VAL 71 N 0.60 1.28 0.08 0.07 2.07 0.56 -0.12 116.25 120.79 2jvj h VAL 71 Ca 0.32 -1.36 -0.28 0.00 0.82 0.00 0.00 66.70 66.20 2jvj h VAL 71 Cb 0.48 1.55 0.02 0.00 -1.52 0.00 0.00 31.29 31.82 2jvj h VAL 71 CO -0.11 0.41 -1.17 0.40 0.02 0.00 0.00 177.57 177.12 2jvj h ILE 72 N 0.25 1.31 0.00 4.57 2.04 0.23 -3.42 117.51 122.48 2jvj h ILE 72 Ca 0.03 -2.46 -0.01 0.00 1.00 0.00 0.00 64.86 63.42 2jvj h ILE 72 Cb 0.72 2.61 -0.00 0.00 -0.74 0.00 0.00 36.82 39.41 2jvj h ILE 72 CO 0.05 0.75 -0.53 -0.67 0.00 0.00 0.00 178.15 177.75 2jvj n ASP 73 N -3.78 1.46 0.00 1.72 -0.08 -0.69 -5.00 116.55 110.19 2jvj n ASP 73 Ca -0.12 0.22 0.00 0.00 -1.51 0.00 0.00 54.79 53.38 2jvj n ASP 73 Cb 0.95 -0.52 0.00 0.00 2.34 0.00 0.00 41.12 43.89 2jvj n ASP 73 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2jvj n GLU 74 N -3.92 0.00 0.00 -0.67 1.02 -0.06 -4.68 120.64 112.33 2jvj n GLU 74 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 2jvj n GLU 74 Cb 0.27 -2.74 0.00 0.00 -0.02 0.00 0.00 31.44 28.94 2jvj n GLU 74 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2jvj n ASN 75 N 0.00 2.80 -4.69 1.62 3.02 -1.26 -5.06 115.26 111.70 2jvj n ASN 75 Ca 0.00 0.00 -0.45 0.00 -0.03 0.00 0.00 54.58 54.10 2jvj n ASN 75 Cb 0.00 0.50 -0.04 0.00 -0.61 0.00 0.00 39.78 39.63 2jvj n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jvj n ILE 76 N -0.95 0.15 -2.72 2.41 3.06 -1.26 -4.90 119.36 115.15 2jvj n ILE 76 Ca 0.00 -0.03 -0.42 0.00 -2.50 0.00 0.00 62.75 59.80 2jvj n ILE 76 Cb 0.06 -1.80 -0.03 0.00 0.54 0.00 0.00 39.64 38.41 2jvj n ILE 76 CO 0.00 0.00 0.00 -0.13 -2.50 0.00 0.00 176.55 173.92 2jvj s ARG 77 N 1.74 3.62 -0.04 9.51 1.81 -0.49 -4.91 118.95 130.19 2jvj s ARG 77 Ca 0.80 -1.45 -0.21 0.00 -1.72 0.00 0.00 55.73 53.15 2jvj s ARG 77 Cb -0.60 -5.18 -0.05 0.00 -0.45 0.00 0.00 34.95 28.67 2jvj s ARG 77 CO 0.38 -2.03 0.61 0.14 -0.68 0.00 0.00 175.30 173.73 2jvj s VAL 78 N 3.95 5.00 -0.02 3.52 -7.23 -1.26 -1.91 120.40 122.45 2jvj s VAL 78 Ca 0.41 1.26 0.06 0.00 -1.81 0.00 0.00 61.98 61.90 2jvj s VAL 78 Cb -0.02 -3.95 -0.01 0.00 0.56 0.00 0.00 36.38 32.96 2jvj s VAL 78 CO -0.09 0.35 -0.20 -0.63 -0.31 0.00 0.00 175.10 174.21 2jvj s ILE 79 N 0.29 1.62 -0.26 -0.62 -1.09 0.19 0.12 121.20 121.44 2jvj s ILE 79 Ca 0.32 -0.87 -0.11 0.00 -2.23 0.00 0.00 60.65 57.77 2jvj s ILE 79 Cb -0.18 -1.35 -0.05 0.00 -1.58 0.00 0.00 42.46 39.30 2jvj s ILE 79 CO 0.16 0.46 0.17 -0.51 -1.23 0.00 0.00 174.94 173.99 2jvj s ILE 80 N -0.39 5.25 -0.48 2.92 2.07 -0.72 -1.32 121.20 128.53 2jvj s ILE 80 Ca 0.06 0.15 0.08 0.00 -1.41 0.00 0.00 60.65 59.52 2jvj s ILE 80 Cb -0.09 -3.48 0.21 0.00 0.13 0.00 0.00 42.46 39.23 2jvj s ILE 80 CO -0.00 0.29 1.17 1.15 -1.91 0.00 0.00 174.94 175.64 2jvj n MET 81 N 4.76 2.84 0.00 3.50 0.00 -0.71 -3.06 117.12 124.44 2jvj n MET 81 Ca -0.15 -1.95 0.00 0.00 0.00 0.00 0.00 57.70 55.61 2jvj n MET 81 Cb 0.52 -1.23 0.00 0.00 0.00 0.00 0.00 33.22 32.51 2jvj n MET 81 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 2jvj n THR 82 N -0.05 0.00 -1.52 3.17 5.66 -1.16 -4.10 114.28 116.28 2jvj n THR 82 Ca 0.08 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.76 2jvj n THR 82 Cb 0.41 -0.86 -0.11 0.00 -1.55 0.00 0.00 70.33 68.22 2jvj n THR 82 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jvj n ALA 83 N -3.00 0.59 1.40 1.79 0.00 -1.26 -3.26 120.51 116.77 2jvj n ALA 83 Ca 0.00 -0.75 0.12 0.00 0.00 0.00 0.00 53.44 52.81 2jvj n ALA 83 Cb 0.00 -2.74 0.67 0.00 0.00 0.00 0.00 19.45 17.38 2jvj n ALA 83 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2jvj n TYR 84 N 12.66 0.00 1.62 0.00 4.11 -1.26 -0.85 117.16 133.44 2jvj n TYR 84 Ca 0.54 0.00 0.15 0.00 -0.00 0.00 0.00 57.90 58.59 2jvj n TYR 84 Cb 0.27 -0.04 0.70 0.00 -0.00 0.00 0.00 39.34 40.27 2jvj n TYR 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2jvj n GLY 85 N 0.48 -0.70 0.34 -7.48 0.00 -1.26 -3.69 105.19 92.87 2jvj n GLY 85 Ca 0.17 -0.29 0.11 0.00 0.00 0.00 0.00 46.02 46.00 2jvj n GLY 85 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jvj n GLU 86 N -0.66 1.45 0.00 1.61 4.71 -0.03 -1.96 120.64 125.77 2jvj n GLU 86 Ca 0.19 -0.68 0.05 0.00 -0.01 0.00 0.00 57.16 56.71 2jvj n GLU 86 Cb 0.24 -1.39 0.27 0.00 -1.01 0.00 0.00 31.44 29.55 2jvj n GLU 86 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 2jvj n LEU 87 N -0.12 0.00 -0.02 -4.62 -0.00 -1.24 0.10 117.00 111.09 2jvj n LEU 87 Ca 0.17 0.26 -0.02 0.00 -0.00 0.00 0.00 56.01 56.42 2jvj n LEU 87 Cb 0.24 -0.26 -0.01 0.00 -0.00 0.00 0.00 43.42 43.39 2jvj n LEU 87 CO 0.13 -0.17 -0.13 -0.67 -0.00 0.00 0.00 177.39 176.55 2jvj n ASP 88 N -1.26 0.63 0.11 1.45 2.03 -0.83 -4.37 116.55 114.31 2jvj n ASP 88 Ca 0.05 0.37 -0.13 0.00 0.52 0.00 0.00 54.79 55.60 2jvj n ASP 88 Cb 0.08 -0.63 -0.08 0.00 -0.72 0.00 0.00 41.12 39.77 2jvj n ASP 88 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 2jvj h MET 89 N -0.35 -0.30 -0.17 -0.67 4.05 -1.67 -3.25 114.93 112.57 2jvj h MET 89 Ca 0.00 0.02 -0.14 0.00 -0.28 0.00 0.00 59.70 59.30 2jvj h MET 89 Cb 0.19 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 2jvj h MET 89 CO 0.00 0.06 -0.48 0.00 0.23 0.00 0.00 176.91 176.72 2jvj h ALA 90 N -0.12 0.85 -0.60 0.39 0.00 0.37 0.95 119.26 121.10 2jvj h ALA 90 Ca -0.03 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 2jvj h ALA 90 Cb 0.49 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2jvj h ALA 90 CO 0.05 0.66 0.09 -0.56 0.00 0.00 0.00 179.25 179.49 2jvj h GLN 91 N 0.36 1.00 0.00 0.00 3.07 -1.63 -2.38 115.11 115.53 2jvj h GLN 91 Ca 0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 58.65 58.47 2jvj h GLN 91 Cb 0.97 -0.11 -0.00 0.00 0.08 0.00 0.00 27.48 28.41 2jvj h GLN 91 CO 0.09 0.95 -0.06 0.93 0.09 0.00 0.00 178.83 180.82 2jvj h GLU 92 N 0.91 0.00 -1.00 0.06 5.08 -1.54 -2.76 114.58 115.33 2jvj h GLU 92 Ca 0.18 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.64 2jvj h GLU 92 Cb 0.43 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.61 2jvj h GLU 92 CO 0.01 0.06 0.64 1.03 -1.00 0.00 0.00 179.01 179.75 2jvj h SER 93 N 0.00 0.97 0.00 1.42 0.87 -0.27 -3.44 113.55 113.10 2jvj h SER 93 Ca -0.00 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2jvj h SER 93 Cb 1.05 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 2jvj h SER 93 CO 0.01 0.57 0.00 0.29 -0.53 0.00 0.00 176.83 177.17 2jvj n LYS 94 N -4.56 0.00 0.06 2.24 5.02 -1.17 -5.09 118.16 114.67 2jvj n LYS 94 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 2jvj n LYS 94 Cb 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.28 2jvj n LYS 94 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2jvj n GLU 95 N -0.27 0.00 0.11 1.97 2.13 -1.04 -5.00 120.64 118.53 2jvj n GLU 95 Ca 0.00 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.58 2jvj n GLU 95 Cb 0.00 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 31.56 2jvj n GLU 95 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2jvj h LEU 96 N 0.00 0.73 2.39 4.31 5.85 -1.87 -3.43 115.31 123.28 2jvj h LEU 96 Ca 0.00 -0.93 -0.39 0.00 0.84 0.00 0.00 57.88 57.40 2jvj h LEU 96 Cb 0.00 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.74 2jvj h LEU 96 CO 0.00 1.76 -0.46 0.61 -0.34 0.00 0.00 178.44 180.01 2jvj n GLY 97 N 1.80 0.14 0.52 3.75 0.00 -1.26 -4.61 105.19 105.53 2jvj n GLY 97 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2jvj n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jvj n ALA 98 N -1.16 -1.34 -1.67 4.61 0.00 -1.26 -4.59 120.51 115.09 2jvj n ALA 98 Ca -0.22 0.15 -0.40 0.00 0.00 0.00 0.00 53.44 52.98 2jvj n ALA 98 Cb 0.66 -0.81 -0.02 0.00 0.00 0.00 0.00 19.45 19.29 2jvj n ALA 98 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jvj n LEU 99 N -1.36 8.19 0.00 0.00 4.77 0.32 -4.82 117.00 124.09 2jvj n LEU 99 Ca 0.00 -4.56 0.05 0.00 -0.03 0.00 0.00 56.01 51.47 2jvj n LEU 99 Cb 0.07 -1.49 -0.01 0.00 -2.33 0.00 0.00 43.42 39.66 2jvj n LEU 99 CO 0.00 1.93 -0.06 0.35 -1.33 0.00 0.00 177.39 178.28 2jvj n THR 100 N 3.04 0.00 0.00 -5.08 -2.24 -1.26 -4.63 114.28 104.10 2jvj n THR 100 Ca 0.68 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.46 2jvj n THR 100 Cb 0.26 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 2jvj n THR 100 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2jvj n HIS 101 N -2.24 0.00 -4.34 4.78 -0.00 -1.26 -1.76 115.22 110.41 2jvj n HIS 101 Ca 0.00 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 57.96 2jvj n HIS 101 Cb 0.16 0.00 -0.11 0.00 -0.12 0.00 0.00 29.99 29.92 2jvj n HIS 101 CO 0.00 0.00 0.00 -0.06 0.46 0.00 0.00 176.34 176.74 2jvj s PHE 102 N -0.12 1.86 -0.12 1.57 0.08 -1.17 -4.79 117.98 115.28 2jvj s PHE 102 Ca 0.00 -0.45 0.01 0.00 0.12 0.00 0.00 56.93 56.60 2jvj s PHE 102 Cb 0.00 -0.94 0.15 0.00 -0.57 0.00 0.00 43.02 41.67 2jvj s PHE 102 CO 0.00 0.33 1.39 0.00 -0.10 0.00 0.00 175.22 176.84 2jvj n ALA 103 N 0.38 3.54 -3.99 5.36 0.00 -1.20 -4.10 120.51 120.50 2jvj n ALA 103 Ca -0.14 -0.74 -0.30 0.00 0.00 0.00 0.00 53.44 52.25 2jvj n ALA 103 Cb 0.57 -1.13 -0.16 0.00 0.00 0.00 0.00 19.45 18.73 2jvj n ALA 103 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2jvj s LYS 104 N -0.84 2.02 -0.74 0.00 1.02 -1.26 -4.87 119.74 115.07 2jvj s LYS 104 Ca 0.14 -0.81 -0.26 0.00 0.02 0.00 0.00 55.97 55.07 2jvj s LYS 104 Cb 0.12 -2.37 0.00 0.00 -0.52 0.00 0.00 37.83 35.06 2jvj s LYS 104 CO 0.02 -0.41 1.60 -2.14 -0.92 0.00 0.00 175.35 173.50 2jvj s PRO 105 N 1.41 2.94 0.00 -1.68 0.02 -1.26 -4.92 135.00 131.51 2jvj s PRO 105 Ca -0.01 -0.02 0.00 0.00 0.02 0.00 0.00 61.00 60.99 2jvj s PRO 105 Cb -0.16 -4.50 0.00 0.00 0.02 0.00 0.00 34.50 29.87 2jvj s PRO 105 CO -0.08 -2.52 0.00 1.97 -0.33 0.00 0.00 177.00 176.03 2jvj n PHE 106 N 11.16 0.00 -1.69 6.54 1.16 -1.26 -5.11 117.46 128.26 2jvj n PHE 106 Ca 0.17 0.00 -0.44 0.00 -1.87 0.00 0.00 57.45 55.31 2jvj n PHE 106 Cb 0.50 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.35 2jvj n PHE 106 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 2jvj n ASP 107 N 0.00 3.17 0.00 5.98 2.03 -1.26 -4.88 116.55 121.59 2jvj n ASP 107 Ca 0.00 1.13 0.12 0.00 0.52 0.00 0.00 54.79 56.56 2jvj n ASP 107 Cb 0.00 -1.48 0.58 0.00 -0.72 0.00 0.00 41.12 39.50 2jvj n ASP 107 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2jvj n ILE 108 N 2.36 0.25 -0.21 5.18 -6.64 -1.26 -2.90 119.36 116.13 2jvj n ILE 108 Ca 0.12 0.06 -0.02 0.00 -1.77 0.00 0.00 62.75 61.14 2jvj n ILE 108 Cb 0.33 -0.64 0.09 0.00 -1.44 0.00 0.00 39.64 37.97 2jvj n ILE 108 CO 0.00 0.00 0.00 -0.78 -1.77 0.00 0.00 176.55 174.00 2jvj h ASP 109 N 0.00 0.49 -0.18 7.28 1.82 -2.00 0.87 116.42 124.70 2jvj h ASP 109 Ca 0.00 0.03 0.02 0.00 -0.39 0.00 0.00 57.03 56.69 2jvj h ASP 109 Cb 0.35 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.29 2jvj h ASP 109 CO 0.00 0.32 0.12 -0.33 -1.61 0.00 0.00 179.24 177.74 2jvj h GLU 110 N 0.63 0.14 0.04 0.28 4.39 -1.92 -0.14 114.58 117.99 2jvj h GLU 110 Ca 0.28 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.97 2jvj h GLU 110 Cb 0.18 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2jvj h GLU 110 CO -0.18 0.09 -0.02 0.82 -1.16 0.00 0.00 179.01 178.56 2jvj h ILE 111 N 0.14 1.32 -0.73 3.13 5.03 -1.03 0.11 117.51 125.49 2jvj h ILE 111 Ca 0.07 -1.32 -0.04 0.00 -0.12 0.00 0.00 64.86 63.46 2jvj h ILE 111 Cb 0.13 2.18 -0.03 0.00 -3.03 0.00 0.00 36.82 36.06 2jvj h ILE 111 CO -0.01 0.33 0.32 0.08 -0.68 0.00 0.00 178.15 178.18 2jvj h ARG 112 N -0.65 1.07 0.56 2.37 0.11 -1.12 -0.63 114.38 116.08 2jvj h ARG 112 Ca -0.01 -0.17 -0.02 0.00 0.10 0.00 0.00 59.98 59.88 2jvj h ARG 112 Cb 0.58 -0.19 0.00 0.00 1.11 0.00 0.00 29.97 31.47 2jvj h ARG 112 CO 0.01 0.85 -0.30 0.22 0.10 0.00 0.00 179.97 180.85 2jvj h ASP 113 N 1.05 -0.72 -0.51 0.08 3.58 -0.99 -2.46 116.42 116.46 2jvj h ASP 113 Ca 0.25 0.03 -0.12 0.00 0.42 0.00 0.00 57.03 57.61 2jvj h ASP 113 Cb 0.16 0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.39 2jvj h ASP 113 CO -0.03 -0.49 -0.15 0.00 -2.88 0.00 0.00 179.24 175.70 2jvj h ALA 114 N -0.36 0.75 -0.14 -0.78 0.00 -0.76 0.35 119.26 118.32 2jvj h ALA 114 Ca -0.07 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 2jvj h ALA 114 Cb 0.62 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2jvj h ALA 114 CO 0.10 0.67 -0.25 -0.39 0.00 0.00 0.00 179.25 179.39 2jvj h VAL 115 N 0.89 1.24 0.05 0.00 -1.51 -1.11 0.31 116.25 116.12 2jvj h VAL 115 Ca 0.13 -1.12 -0.29 0.00 -1.23 0.00 0.00 66.70 64.19 2jvj h VAL 115 Cb 0.72 1.41 -0.03 0.00 -2.13 0.00 0.00 31.29 31.26 2jvj h VAL 115 CO 0.06 0.34 -1.54 0.11 -1.23 0.00 0.00 177.57 175.30 2jvj h LYS 116 N 0.23 0.12 -0.08 5.19 1.57 -1.23 -3.13 116.57 119.24 2jvj h LYS 116 Ca 0.04 -0.20 -0.15 0.00 -1.87 0.00 0.00 60.65 58.47 2jvj h LYS 116 Cb 0.57 0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.96 2jvj h LYS 116 CO 0.04 0.88 -0.53 -0.22 -0.57 0.00 0.00 179.45 179.05 2jvj h LYS 117 N 0.03 0.50 0.00 3.15 1.63 0.01 -3.31 116.57 118.58 2jvj h LYS 117 Ca -0.23 -0.43 -0.15 0.00 -0.85 0.00 0.00 60.65 58.98 2jvj h LYS 117 Cb 1.97 0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 33.68 2jvj h LYS 117 CO 0.12 1.07 -0.90 -0.92 -3.45 0.00 0.00 179.45 175.37 2jvj h TYR 118 N 0.07 0.00 -3.44 1.91 3.20 -0.57 -3.42 116.97 114.72 2jvj h TYR 118 Ca -0.04 0.00 -0.68 0.00 3.14 0.00 0.00 58.73 61.14 2jvj h TYR 118 Cb 1.19 0.00 -0.18 0.00 1.54 0.00 0.00 36.73 39.28 2jvj h TYR 118 CO 0.12 0.65 -0.06 -0.51 -1.64 0.00 0.00 178.16 176.72 2jvj s LEU 119 N -6.31 4.86 0.00 2.82 1.02 -1.18 -4.96 118.68 114.93 2jvj s LEU 119 Ca 0.01 -0.72 0.00 0.00 0.02 0.00 0.00 54.13 53.44 2jvj s LEU 119 Cb 0.08 -2.47 0.00 0.00 0.02 0.00 0.00 46.19 43.83 2jvj s LEU 119 CO 0.78 -0.73 0.00 -0.81 0.02 0.00 0.00 176.35 175.61 2jvj n PRO 120 N 5.90 0.00 0.00 1.29 -0.05 -1.26 -4.76 135.00 136.12 2jvj n PRO 120 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.39 2jvj n PRO 120 Cb 0.47 -0.09 0.00 0.00 -0.05 0.00 0.00 33.50 33.83 2jvj n PRO 120 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 175.50 176.92 2jvj n LEU 121 N -0.53 0.00 0.00 1.53 -0.00 -1.26 -5.14 117.00 111.59 2jvj n LEU 121 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.94 2jvj n LEU 121 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.40 2jvj n LEU 121 CO 0.00 0.00 0.04 2.29 -0.00 0.00 0.00 177.39 179.72 2jvj n LYS 122 N -0.08 0.27 -0.21 1.47 0.00 -1.26 -5.06 118.16 113.29 2jvj n LYS 122 Ca 0.00 -1.32 0.09 0.00 -0.00 0.00 0.00 58.31 57.07 2jvj n LYS 122 Cb 0.00 1.21 0.17 0.00 -0.00 0.00 0.00 35.03 36.41 2jvj n LYS 122 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2jvj n SER 123 N -2.06 2.91 -3.18 -5.58 7.64 -1.26 -4.82 113.62 107.26 2jvj n SER 123 Ca 0.01 -2.93 -0.36 0.00 1.01 0.00 0.00 58.87 56.61 2jvj n SER 123 Cb 0.26 -0.43 -0.04 0.00 -1.01 0.00 0.00 64.21 63.00 2jvj n SER 123 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2jvj n ASN 124 N -0.94 8.02 0.22 6.43 3.02 -1.26 -3.60 115.26 127.16 2jvj n ASN 124 Ca 0.16 -2.80 0.00 0.00 -0.03 0.00 0.00 54.58 51.92 2jvj n ASN 124 Cb 0.69 -1.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.41 2jvj n ASN 124 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2jvj n LEU 125 N 2.66 -3.97 0.00 3.41 4.77 -1.26 -5.08 117.00 117.52 2jvj n LEU 125 Ca 0.68 0.85 0.00 0.00 -0.03 0.00 0.00 56.01 57.51 2jvj n LEU 125 Cb 0.33 3.72 0.00 0.00 -2.33 0.00 0.00 43.42 45.14 2jvj n LEU 125 CO 0.69 0.25 0.00 -0.62 -1.33 0.00 0.00 177.39 176.38 2jvj n GLU 126 N -3.39 0.00 -4.01 3.23 1.02 -1.24 -4.74 120.64 111.52 2jvj n GLU 126 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 2jvj n GLU 126 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 2jvj n GLU 126 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2jvj s HIS 127 N 0.00 3.31 -0.59 -0.32 3.76 -1.26 -5.07 115.29 115.12 2jvj s HIS 127 Ca 0.00 0.12 -0.10 0.00 -0.15 0.00 0.00 55.06 54.93 2jvj s HIS 127 Cb 0.00 -1.65 0.15 0.00 1.11 0.00 0.00 32.58 32.19 2jvj s HIS 127 CO 0.00 0.54 0.48 -3.38 -0.85 0.00 0.00 174.74 171.53 2jvj s HIS 128 N -1.52 3.49 -0.16 1.40 -3.43 -1.26 -5.05 115.29 108.75 2jvj s HIS 128 Ca 0.32 -2.02 -0.15 0.00 -0.80 0.00 0.00 55.06 52.41 2jvj s HIS 128 Cb -0.12 -3.55 -0.04 0.00 -1.43 0.00 0.00 32.58 27.44 2jvj s HIS 128 CO 0.25 -0.97 0.34 -3.38 -2.00 0.00 0.00 174.74 168.98 2jvj s HIS 129 N 0.81 3.45 -0.10 0.38 -3.43 -1.26 -5.06 115.29 110.08 2jvj s HIS 129 Ca 0.11 0.64 -0.03 0.00 -0.80 0.00 0.00 55.06 54.97 2jvj s HIS 129 Cb -0.22 -2.41 0.05 0.00 -1.43 0.00 0.00 32.58 28.57 2jvj s HIS 129 CO -0.03 0.17 0.15 -1.58 -2.00 0.00 0.00 174.74 171.46 2jvj s HIS 130 N 0.68 -0.14 -0.73 0.38 2.46 -1.26 -5.10 115.29 111.58 2jvj s HIS 130 Ca 0.18 0.48 -0.23 0.00 0.47 0.00 0.00 55.06 55.97 2jvj s HIS 130 Cb -0.14 -0.32 0.07 0.00 -0.13 0.00 0.00 32.58 32.07 2jvj s HIS 130 CO 0.06 -0.32 1.06 -1.01 -2.47 0.00 0.00 174.74 172.06 2jvj s HIS 131 N 2.28 2.67 0.00 3.88 3.76 -1.26 -5.36 115.29 121.26 2jvj s HIS 131 Ca 0.04 -0.62 0.00 0.00 -0.15 0.00 0.00 55.06 54.32 2jvj s HIS 131 Cb -0.13 -4.36 0.00 0.00 1.11 0.00 0.00 32.58 29.20 2jvj s HIS 131 CO -0.06 -1.70 0.00 1.58 -0.85 0.00 0.00 174.74 173.70