#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 -0.09 0.03 0.00 -1.26 -4.98 117.12 110.82 2jvj n MET 2 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.70 57.81 2jvj n MET 2 Cb 0.00 0.00 0.35 0.00 0.00 0.00 0.00 33.22 33.57 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 0.00 1.89 -4.71 6.12 5.03 -1.26 -4.85 115.26 117.48 2jvj n ASN 3 Ca 0.00 -1.75 -0.42 0.00 0.87 0.00 0.00 54.58 53.28 2jvj n ASN 3 Cb 0.00 -0.12 -0.03 0.00 -1.02 0.00 0.00 39.78 38.61 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 -1.75 4.53 -0.10 3.52 1.03 -1.26 -4.93 118.70 119.73 2jvj s GLU 4 Ca 0.33 1.47 -0.07 0.00 0.03 0.00 0.00 54.97 56.73 2jvj s GLU 4 Cb 0.18 -3.45 0.04 0.00 -0.80 0.00 0.00 34.13 30.10 2jvj s GLU 4 CO 0.27 -0.10 0.25 0.15 -1.33 0.00 0.00 175.26 174.50 2jvj s LYS 5 N 1.10 0.25 -0.01 -4.83 1.02 -1.26 0.71 119.74 116.71 2jvj s LYS 5 Ca 0.53 0.47 -0.08 0.00 0.02 0.00 0.00 55.97 56.91 2jvj s LYS 5 Cb -0.22 -0.02 0.01 0.00 -0.52 0.00 0.00 37.83 37.08 2jvj s LYS 5 CO 0.27 -0.11 0.17 0.42 -0.92 0.00 0.00 175.35 175.18 2jvj s ILE 6 N 0.83 0.06 0.00 2.17 1.01 -0.81 -0.66 121.20 123.81 2jvj s ILE 6 Ca -0.06 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.09 2jvj s ILE 6 Cb -0.07 -0.42 -0.03 0.00 0.01 0.00 0.00 42.46 41.95 2jvj s ILE 6 CO -0.05 -0.29 -0.04 -0.22 0.00 0.00 0.00 174.94 174.33 2jvj s LEU 7 N -1.08 3.30 -0.17 2.97 1.98 0.22 -0.82 118.68 125.07 2jvj s LEU 7 Ca -0.12 -0.09 -0.00 0.00 -2.89 0.00 0.00 54.13 51.03 2jvj s LEU 7 Cb -0.06 -1.89 0.04 0.00 0.66 0.00 0.00 46.19 44.94 2jvj s LEU 7 CO 0.02 0.28 -0.07 -0.63 -1.89 0.00 0.00 176.35 174.06 2jvj s ILE 8 N -1.03 1.27 -0.33 6.68 1.09 0.10 0.14 121.20 129.12 2jvj s ILE 8 Ca 0.18 -0.70 -0.03 0.00 -1.10 0.00 0.00 60.65 59.00 2jvj s ILE 8 Cb -0.11 -1.39 0.06 0.00 -1.06 0.00 0.00 42.46 39.96 2jvj s ILE 8 CO 0.08 0.18 0.07 -0.69 -0.10 0.00 0.00 174.94 174.48 2jvj s VAL 9 N 1.57 3.25 0.04 2.92 1.01 0.19 -0.19 120.40 129.19 2jvj s VAL 9 Ca 0.01 -1.46 -0.27 0.00 0.00 0.00 0.00 61.98 60.25 2jvj s VAL 9 Cb -0.15 -2.94 0.09 0.00 0.00 0.00 0.00 36.38 33.38 2jvj s VAL 9 CO -0.08 -0.25 0.81 1.51 0.00 0.00 0.00 175.10 177.10 2jvj s ASP 10 N 1.42 -0.42 -0.87 3.32 1.47 -0.25 -1.08 116.67 120.26 2jvj s ASP 10 Ca -0.02 0.01 -0.01 0.00 1.18 0.00 0.00 52.55 53.71 2jvj s ASP 10 Cb -0.20 0.44 0.34 0.00 -0.34 0.00 0.00 42.92 43.16 2jvj s ASP 10 CO -0.01 -0.71 1.84 -0.67 0.68 0.00 0.00 175.17 176.30 2jvj n ASP 11 N -0.26 7.12 -4.68 2.11 2.03 -1.26 -4.41 116.55 117.20 2jvj n ASP 11 Ca -0.11 -3.77 -0.36 0.00 0.52 0.00 0.00 54.79 51.07 2jvj n ASP 11 Cb 0.63 -1.03 -0.09 0.00 -0.72 0.00 0.00 41.12 39.90 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 -4.10 4.10 0.26 -0.67 -1.52 -1.26 -5.00 119.66 111.47 2jvj s GLN 12 Ca 0.47 -0.23 -0.03 0.00 -1.95 0.00 0.00 55.36 53.62 2jvj s GLN 12 Cb 0.34 -3.51 0.54 0.00 -0.22 0.00 0.00 33.01 30.16 2jvj s GLN 12 CO -0.29 0.11 1.65 -0.92 -0.25 0.00 0.00 175.29 175.59 2jvj h TYR 13 N 7.32 0.15 0.00 0.91 3.20 -2.04 -3.15 116.97 123.36 2jvj h TYR 13 Ca -0.39 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.54 2jvj h TYR 13 Cb 1.17 0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.50 2jvj h TYR 13 CO 0.65 -0.20 -0.20 0.41 -1.64 0.00 0.00 178.16 177.18 2jvj n GLY 14 N -1.39 -0.54 0.14 1.82 0.00 -1.26 -4.80 105.19 99.16 2jvj n GLY 14 Ca 0.16 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 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 4.13 1.27 -1.00 -0.61 2.04 -1.97 -1.98 117.51 119.39 2jvj h ILE 15 Ca 0.00 -2.75 0.11 0.00 1.00 0.00 0.00 64.86 63.23 2jvj h ILE 15 Cb 1.12 2.99 -0.08 0.00 -0.74 0.00 0.00 36.82 40.10 2jvj h ILE 15 CO 0.00 0.83 0.63 0.03 0.00 0.00 0.00 178.15 179.65 2jvj h ARG 16 N 0.13 0.98 0.01 2.37 3.08 -1.87 -0.47 114.38 118.61 2jvj h ARG 16 Ca -0.25 -0.06 -0.28 0.00 0.07 0.00 0.00 59.98 59.46 2jvj h ARG 16 Cb 2.13 -0.22 -0.05 0.00 0.08 0.00 0.00 29.97 31.91 2jvj h ARG 16 CO 0.25 0.65 -1.63 0.97 -1.07 0.00 0.00 179.97 179.14 2jvj h ILE 17 N 1.01 0.94 -0.04 2.04 6.09 -1.89 -3.26 117.51 122.40 2jvj h ILE 17 Ca 0.49 -2.77 -0.07 0.00 -1.37 0.00 0.00 64.86 61.13 2jvj h ILE 17 Cb 0.46 2.47 -0.01 0.00 0.47 0.00 0.00 36.82 40.21 2jvj h ILE 17 CO -0.25 0.55 -0.32 0.17 -3.07 0.00 0.00 178.15 175.23 2jvj h LEU 18 N 0.00 0.08 -2.18 2.19 8.10 -0.97 0.19 115.31 122.73 2jvj h LEU 18 Ca -0.26 -0.03 0.01 0.00 0.11 0.00 0.00 57.88 57.72 2jvj h LEU 18 Cb 1.99 -0.02 -0.00 0.00 -0.44 0.00 0.00 40.66 42.18 2jvj h LEU 18 CO 0.09 0.40 0.04 -0.07 -4.11 0.00 0.00 178.44 174.78 2jvj h LEU 19 N 0.07 0.00 0.37 0.17 -0.00 -1.13 0.24 115.31 115.03 2jvj h LEU 19 Ca 0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.87 2jvj h LEU 19 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.27 2jvj h LEU 19 CO 0.04 0.00 -0.18 0.78 -0.00 0.00 0.00 178.44 179.09 2jvj h ASN 20 N 0.00 -0.42 -0.20 -0.43 -0.26 -0.69 0.23 115.58 113.80 2jvj h ASN 20 Ca 0.02 -0.14 0.06 0.00 -0.56 0.00 0.00 56.30 55.68 2jvj h ASN 20 Cb 0.09 0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.45 2jvj h ASN 20 CO -0.00 0.00 0.16 -0.33 -1.06 0.00 0.00 177.43 176.21 2jvj h GLU 21 N -0.95 0.00 -0.12 0.81 3.07 -1.20 0.71 114.58 116.89 2jvj h GLU 21 Ca -0.05 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.58 2jvj h GLU 21 Cb 0.53 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.45 2jvj h GLU 21 CO 0.08 0.00 -0.82 0.28 -1.40 0.00 0.00 179.01 177.16 2jvj h VAL 22 N 0.00 1.29 0.00 3.13 2.07 -0.31 -3.44 116.25 118.99 2jvj h VAL 22 Ca 0.10 -2.04 0.00 0.00 0.82 0.00 0.00 66.70 65.57 2jvj h VAL 22 Cb 0.42 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 2jvj h VAL 22 CO -0.00 0.64 -0.28 0.49 0.02 0.00 0.00 177.57 178.44 2jvj n PHE 23 N -3.91 0.00 -0.02 1.57 3.72 0.79 -4.55 117.46 115.06 2jvj n PHE 23 Ca -0.08 0.00 0.23 0.00 -0.05 0.00 0.00 57.45 57.55 2jvj n PHE 23 Cb 0.76 0.00 0.60 0.00 -0.94 0.00 0.00 39.48 39.90 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 0.00 0.00 0.07 4.37 -0.73 0.41 0.75 115.58 120.46 2jvj h ASN 24 Ca 0.00 0.00 -0.17 0.00 1.87 0.00 0.00 56.30 58.00 2jvj h ASN 24 Cb 0.28 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.87 2jvj h ASN 24 CO 0.00 0.00 -0.84 0.11 -0.37 0.00 0.00 177.43 176.33 2jvj h LYS 25 N 0.00 0.15 0.00 6.67 1.57 -1.74 -3.41 116.57 119.81 2jvj h LYS 25 Ca 0.31 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2jvj h LYS 25 Cb 1.90 0.10 0.00 0.00 0.08 0.00 0.00 32.23 34.30 2jvj h LYS 25 CO -0.00 1.12 -0.04 -0.85 -0.57 0.00 0.00 179.45 179.11 2jvj n GLU 26 N -4.25 0.11 0.06 3.15 0.28 0.48 -4.88 120.64 115.59 2jvj n GLU 26 Ca -0.19 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.78 2jvj n GLU 26 Cb 0.73 -0.52 -0.01 0.00 1.43 0.00 0.00 31.44 33.07 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 -0.18 -2.99 -1.84 0.00 0.07 -3.38 103.07 94.75 2jvj h GLY 27 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 2jvj h GLY 27 CO 0.00 -0.07 0.17 -0.19 0.00 0.00 0.00 176.54 176.45 2jvj s TYR 28 N -2.35 -0.49 -1.08 5.60 2.02 0.95 -4.75 117.35 117.26 2jvj s TYR 28 Ca -0.03 0.26 -0.08 0.00 -0.37 0.00 0.00 57.07 56.86 2jvj s TYR 28 Cb 0.00 0.52 -0.06 0.00 -0.40 0.00 0.00 41.96 42.02 2jvj s TYR 28 CO 0.08 -0.84 2.29 0.94 -1.57 0.00 0.00 175.55 176.45 2jvj n GLN 29 N -0.36 2.43 -2.41 -0.62 0.00 0.22 -0.03 117.38 116.61 2jvj n GLN 29 Ca -0.17 -1.66 -0.43 0.00 -0.00 0.00 0.00 57.00 54.74 2jvj n GLN 29 Cb 0.65 -2.57 -0.02 0.00 0.00 0.00 0.00 30.24 28.30 2jvj n GLN 29 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 2jvj s THR 30 N 3.20 4.15 0.44 1.69 -4.23 -1.17 -1.93 115.64 117.79 2jvj s THR 30 Ca 0.47 1.31 0.07 0.00 -1.18 0.00 0.00 61.69 62.36 2jvj s THR 30 Cb 0.12 -4.12 -0.03 0.00 1.34 0.00 0.00 72.50 69.81 2jvj s THR 30 CO -0.03 -0.43 0.24 0.12 -0.54 0.00 0.00 174.62 173.98 2jvj s PHE 31 N 4.28 2.45 -0.04 3.99 5.36 -0.00 -4.31 117.98 129.71 2jvj s PHE 31 Ca 0.56 -0.63 0.01 0.00 -0.96 0.00 0.00 56.93 55.92 2jvj s PHE 31 Cb -0.17 -1.97 -0.03 0.00 -0.34 0.00 0.00 43.02 40.50 2jvj s PHE 31 CO 0.22 0.04 -0.04 1.14 -1.46 0.00 0.00 175.22 175.12 2jvj s GLN 32 N -4.00 2.75 -0.03 10.12 0.00 -1.26 -0.72 119.66 126.52 2jvj s GLN 32 Ca 0.40 -0.59 0.00 0.00 -0.00 0.00 0.00 55.36 55.17 2jvj s GLN 32 Cb 0.02 -2.62 0.03 0.00 0.00 0.00 0.00 33.01 30.43 2jvj s GLN 32 CO 0.22 0.65 0.00 0.00 0.00 0.00 0.00 175.29 176.16 2jvj s ALA 33 N -0.94 0.26 -0.47 2.60 0.00 0.74 -4.87 121.76 119.09 2jvj s ALA 33 Ca 0.16 0.18 0.23 0.00 0.00 0.00 0.00 51.96 52.52 2jvj s ALA 33 Cb -0.11 -0.29 0.06 0.00 0.00 0.00 0.00 23.12 22.78 2jvj s ALA 33 CO 0.05 -0.07 1.05 0.00 0.00 0.00 0.00 175.76 176.79 2jvj n ALA 34 N 4.07 3.01 -2.51 0.00 0.00 -1.26 -1.09 120.51 122.72 2jvj n ALA 34 Ca -0.26 -0.33 -0.08 0.00 0.00 0.00 0.00 53.44 52.76 2jvj n ALA 34 Cb 0.51 -1.03 -0.09 0.00 0.00 0.00 0.00 19.45 18.83 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 -4.43 0.27 0.54 0.00 0.01 -1.26 -4.64 114.94 105.43 2jvj s ASN 35 Ca 0.02 -0.70 0.24 0.00 -0.71 0.00 0.00 52.86 51.71 2jvj s ASN 35 Cb 0.13 0.23 1.49 0.00 0.41 0.00 0.00 41.25 43.50 2jvj s ASN 35 CO 0.79 -0.56 2.15 1.23 -1.51 0.00 0.00 177.10 179.20 2jvj h GLY 36 N 3.43 0.00 1.43 0.66 0.00 -1.90 -0.72 103.07 105.97 2jvj h GLY 36 Ca -0.33 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.87 2jvj h GLY 36 CO 0.56 0.00 -0.38 1.41 0.00 0.00 0.00 176.54 178.13 2jvj h LEU 37 N 0.00 0.66 -0.91 3.11 3.38 -1.96 0.20 115.31 119.79 2jvj h LEU 37 Ca -0.00 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 2jvj h LEU 37 Cb 0.13 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2jvj h LEU 37 CO 0.01 0.97 0.04 -0.61 0.09 0.00 0.00 178.44 178.94 2jvj h GLN 38 N 0.52 0.84 -0.19 1.13 -0.00 -1.58 0.88 115.11 116.71 2jvj h GLN 38 Ca 0.05 -0.21 -0.08 0.00 -0.00 0.00 0.00 58.65 58.41 2jvj h GLN 38 Cb 0.89 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 28.25 2jvj h GLN 38 CO 0.08 0.82 -0.23 0.00 0.00 0.00 0.00 178.83 179.49 2jvj h ALA 39 N 1.25 1.26 -0.43 3.38 0.00 -0.50 -1.52 119.26 122.70 2jvj h ALA 39 Ca 0.16 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2jvj h ALA 39 Cb 0.42 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2jvj h ALA 39 CO 0.01 0.49 -0.19 1.25 0.00 0.00 0.00 179.25 180.82 2jvj h LEU 40 N 0.30 0.85 -0.02 0.00 5.85 0.21 0.33 115.31 122.82 2jvj h LEU 40 Ca 0.05 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.50 2jvj h LEU 40 Cb 0.58 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 2jvj h LEU 40 CO 0.04 1.02 -0.22 0.44 -0.34 0.00 0.00 178.44 179.38 2jvj h ASP 41 N 0.74 -0.66 0.10 1.25 3.32 -0.08 -0.79 116.42 120.29 2jvj h ASP 41 Ca 0.11 0.10 -0.16 0.00 0.02 0.00 0.00 57.03 57.09 2jvj h ASP 41 Cb 0.71 0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 2jvj h ASP 41 CO 0.05 -0.29 -0.58 0.40 -1.72 0.00 0.00 179.24 177.11 2jvj h ILE 42 N -0.34 1.33 0.00 0.35 1.08 -1.07 0.13 117.51 118.99 2jvj h ILE 42 Ca 0.07 -1.85 -0.02 0.00 -0.39 0.00 0.00 64.86 62.67 2jvj h ILE 42 Cb 0.43 1.84 -0.00 0.00 -3.07 0.00 0.00 36.82 36.02 2jvj h ILE 42 CO -0.22 0.57 -0.08 1.62 -0.69 0.00 0.00 178.15 179.35 2jvj h VAL 43 N 0.38 0.32 0.00 1.67 3.04 -0.07 0.73 116.25 122.32 2jvj h VAL 43 Ca 0.00 -0.49 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 2jvj h VAL 43 Cb 1.12 1.37 0.00 0.00 -2.01 0.00 0.00 31.29 31.76 2jvj h VAL 43 CO 0.10 0.08 -1.70 1.07 -1.01 0.00 0.00 177.57 176.11 2jvj n THR 44 N -3.38 0.14 -0.04 3.17 5.66 -0.33 -3.24 114.28 116.26 2jvj n THR 44 Ca -0.01 -0.48 -0.02 0.00 -3.05 0.00 0.00 64.05 60.49 2jvj n THR 44 Cb 0.24 -0.02 -0.01 0.00 -1.55 0.00 0.00 70.33 68.99 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 0.57 -3.42 116.57 116.38 2jvj h LYS 45 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2jvj h LYS 45 Cb 0.97 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 2jvj h LYS 45 CO 0.00 0.00 -1.84 0.39 -0.57 0.00 0.00 179.45 177.43 2jvj n GLU 46 N -3.91 0.65 -3.38 3.15 -0.58 0.23 -5.02 120.64 111.78 2jvj n GLU 46 Ca -0.04 -0.11 -0.18 0.00 -0.42 0.00 0.00 57.16 56.41 2jvj n GLU 46 Cb 0.13 -1.58 0.07 0.00 -0.57 0.00 0.00 31.44 29.48 2jvj n GLU 46 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2jvj n ARG 47 N -2.40 -3.21 -1.71 3.49 3.00 0.18 -4.95 116.66 111.07 2jvj n ARG 47 Ca -0.06 0.79 -0.38 0.00 -0.01 0.00 0.00 57.85 58.19 2jvj n ARG 47 Cb 0.63 -5.55 0.05 0.00 0.00 0.00 0.00 32.46 27.58 2jvj n ARG 47 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 2jvj n PRO 48 N -3.63 1.37 0.08 5.56 -0.02 -1.26 -4.93 135.00 132.17 2jvj n PRO 48 Ca -0.14 0.51 -0.12 0.00 -2.02 0.00 0.00 63.50 61.73 2jvj n PRO 48 Cb 0.63 -2.47 -0.13 0.00 -0.02 0.00 0.00 33.50 31.51 2jvj n PRO 48 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2jvj h ASP 49 N 1.00 0.24 -3.66 2.55 3.32 -1.24 -3.45 116.42 115.18 2jvj h ASP 49 Ca -0.50 -0.27 -0.67 0.00 0.02 0.00 0.00 57.03 55.60 2jvj h ASP 49 Cb 1.33 -0.08 -0.18 0.00 0.22 0.00 0.00 39.33 40.62 2jvj h ASP 49 CO 0.55 1.22 -0.78 -0.76 -1.72 0.00 0.00 179.24 177.75 2jvj s LEU 50 N -6.92 2.83 -0.07 1.55 1.43 -0.23 -1.53 118.68 115.76 2jvj s LEU 50 Ca -0.03 -0.49 0.03 0.00 -1.03 0.00 0.00 54.13 52.61 2jvj s LEU 50 Cb 0.08 -1.66 0.01 0.00 0.03 0.00 0.00 46.19 44.65 2jvj s LEU 50 CO 0.85 0.18 -0.14 -0.69 0.23 0.00 0.00 176.35 176.79 2jvj s VAL 51 N -1.17 1.24 -0.34 -1.59 1.01 0.42 0.68 120.40 120.66 2jvj s VAL 51 Ca 0.19 -0.55 -0.12 0.00 0.00 0.00 0.00 61.98 61.50 2jvj s VAL 51 Cb -0.11 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 2jvj s VAL 51 CO 0.11 0.38 0.22 -0.76 0.00 0.00 0.00 175.10 175.05 2jvj s LEU 52 N 0.56 4.48 -0.12 3.92 1.43 0.36 0.45 118.68 129.77 2jvj s LEU 52 Ca -0.14 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.48 2jvj s LEU 52 Cb -0.15 -2.10 0.01 0.00 0.03 0.00 0.00 46.19 43.97 2jvj s LEU 52 CO 0.04 -0.25 -0.19 -0.22 0.23 0.00 0.00 176.35 175.96 2jvj s LEU 53 N 1.69 1.93 -0.24 1.79 1.98 -0.24 0.55 118.68 126.13 2jvj s LEU 53 Ca 0.05 -0.51 -0.06 0.00 -2.89 0.00 0.00 54.13 50.73 2jvj s LEU 53 Cb -0.17 -1.26 -0.02 0.00 0.66 0.00 0.00 46.19 45.39 2jvj s LEU 53 CO 0.09 0.06 0.02 -0.62 -1.89 0.00 0.00 176.35 174.02 2jvj s ASP 54 N 0.80 4.74 0.34 3.68 2.15 -0.24 -1.40 116.67 126.74 2jvj s ASP 54 Ca -0.09 -0.30 0.25 0.00 0.43 0.00 0.00 52.55 52.84 2jvj s ASP 54 Cb -0.16 -1.84 0.63 0.00 -0.30 0.00 0.00 42.92 41.25 2jvj s ASP 54 CO 0.00 -0.03 1.71 -0.03 -0.17 0.00 0.00 175.17 176.65 2jvj h MET 55 N 8.18 0.00 -0.18 4.34 1.85 -1.88 -2.96 114.93 124.27 2jvj h MET 55 Ca -0.40 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.69 2jvj h MET 55 Cb 1.17 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.20 2jvj h MET 55 CO 0.59 0.00 0.00 1.63 -0.40 0.00 0.00 176.91 178.73 2jvj n LYS 56 N -2.70 0.93 -2.68 0.39 5.02 -1.26 -4.12 118.16 113.74 2jvj n LYS 56 Ca 0.04 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.91 2jvj n LYS 56 Cb 0.46 -1.09 -0.03 0.00 -0.02 0.00 0.00 35.03 34.35 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 -1.80 4.76 0.05 -0.18 -1.16 -1.12 -4.92 121.20 116.82 2jvj s ILE 57 Ca 0.00 2.02 -0.30 0.00 -0.51 0.00 0.00 60.65 61.86 2jvj s ILE 57 Cb 0.00 -4.30 -0.09 0.00 0.61 0.00 0.00 42.46 38.68 2jvj s ILE 57 CO 0.00 0.03 1.92 -2.84 -2.81 0.00 0.00 174.94 171.25 2jvj s PRO 58 N 1.84 4.14 0.00 3.50 0.02 -1.26 -3.75 135.00 139.49 2jvj s PRO 58 Ca 0.49 2.58 0.00 0.00 0.02 0.00 0.00 61.00 64.10 2jvj s PRO 58 Cb -0.19 -4.05 0.00 0.00 0.02 0.00 0.00 34.50 30.28 2jvj s PRO 58 CO 0.20 -0.93 0.00 0.41 -0.33 0.00 0.00 177.00 176.35 2jvj n GLY 59 N 4.46 1.90 3.27 0.52 0.00 -1.26 -4.76 105.19 109.31 2jvj n GLY 59 Ca 0.19 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 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 1.19 -0.72 1.61 -1.94 -1.25 -5.09 119.30 113.10 2jvj s MET 60 Ca 0.00 -1.59 -0.24 0.00 -1.71 0.00 0.00 55.69 52.15 2jvj s MET 60 Cb 0.00 -0.32 0.06 0.00 2.01 0.00 0.00 34.83 36.58 2jvj s MET 60 CO 0.00 -0.15 1.10 -0.51 -0.01 0.00 0.00 175.02 175.45 2jvj s ASP 61 N -3.22 6.21 0.57 3.03 1.11 -1.26 -4.52 116.67 118.58 2jvj s ASP 61 Ca 0.27 -0.89 0.27 0.00 0.18 0.00 0.00 52.55 52.38 2jvj s ASP 61 Cb 0.06 -2.47 1.50 0.00 1.07 0.00 0.00 42.92 43.08 2jvj s ASP 61 CO 0.06 -1.56 2.00 1.23 1.18 0.00 0.00 175.17 178.09 2jvj h GLY 62 N 11.94 0.00 -0.34 0.21 0.00 -1.72 -2.03 103.07 111.14 2jvj h GLY 62 Ca -0.24 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.18 2jvj h GLY 62 CO 1.22 0.00 -0.38 1.19 0.00 0.00 0.00 176.54 178.58 2jvj h ILE 63 N 0.00 0.15 -0.98 2.60 2.10 -1.87 0.76 117.51 120.27 2jvj h ILE 63 Ca 0.18 0.00 0.02 0.00 1.08 0.00 0.00 64.86 66.14 2jvj h ILE 63 Cb 0.87 0.15 -0.05 0.00 -1.09 0.00 0.00 36.82 36.70 2jvj h ILE 63 CO -0.00 0.00 0.65 -0.33 -1.08 0.00 0.00 178.15 177.39 2jvj h GLU 64 N -0.24 1.27 -0.24 2.19 4.39 -1.79 -2.01 114.58 118.15 2jvj h GLU 64 Ca 0.18 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 2jvj h GLU 64 Cb 0.56 -0.29 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 2jvj h GLU 64 CO -0.62 0.84 0.02 0.82 -1.16 0.00 0.00 179.01 178.91 2jvj h ILE 65 N 1.30 1.24 -0.29 3.13 5.03 -1.30 -2.01 117.51 124.62 2jvj h ILE 65 Ca 0.37 -0.82 -0.06 0.00 -0.12 0.00 0.00 64.86 64.23 2jvj h ILE 65 Cb -0.10 1.31 -0.02 0.00 -3.03 0.00 0.00 36.82 34.98 2jvj h ILE 65 CO -0.09 0.26 -0.09 0.17 -0.68 0.00 0.00 178.15 177.72 2jvj h LEU 66 N 0.20 0.44 -0.03 1.44 8.10 -0.63 0.59 115.31 125.43 2jvj h LEU 66 Ca 0.07 -0.10 0.02 0.00 0.11 0.00 0.00 57.88 57.98 2jvj h LEU 66 Cb 0.36 -0.12 -0.02 0.00 -0.44 0.00 0.00 40.66 40.44 2jvj h LEU 66 CO 0.01 0.58 -0.09 0.11 -4.11 0.00 0.00 178.44 174.94 2jvj h LYS 67 N 0.44 -0.13 -0.81 0.17 1.57 -1.10 -1.50 116.57 115.20 2jvj h LYS 67 Ca 0.09 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.94 2jvj h LYS 67 Cb 0.43 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.72 2jvj h LYS 67 CO 0.02 -0.09 0.53 -0.09 -0.57 0.00 0.00 179.45 179.26 2jvj h ARG 68 N -0.14 0.88 0.31 3.15 2.43 -0.70 -1.94 114.38 118.38 2jvj h ARG 68 Ca 0.04 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2jvj h ARG 68 Cb 0.20 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2jvj h ARG 68 CO -0.11 0.58 -0.25 0.52 -1.51 0.00 0.00 179.97 179.21 2jvj h MET 69 N 0.91 -0.54 -0.66 0.20 2.86 0.12 0.61 114.93 118.43 2jvj h MET 69 Ca 0.35 0.04 0.07 0.00 -2.06 0.00 0.00 59.70 58.10 2jvj h MET 69 Cb 0.20 0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 2jvj h MET 69 CO -0.12 -0.36 0.44 0.87 1.06 0.00 0.00 176.91 178.80 2jvj h LYS 70 N -0.56 0.60 0.00 1.72 6.56 -1.31 0.47 116.57 124.05 2jvj h LYS 70 Ca -0.02 -0.04 -0.03 0.00 -1.06 0.00 0.00 60.65 59.50 2jvj h LYS 70 Cb 0.49 -0.14 -0.00 0.00 -0.57 0.00 0.00 32.23 32.01 2jvj h LYS 70 CO -0.01 0.40 -0.13 0.28 -2.06 0.00 0.00 179.45 177.93 2jvj h VAL 71 N 0.62 0.54 0.16 0.50 2.07 -0.12 -1.59 116.25 118.43 2jvj h VAL 71 Ca 0.29 -0.59 -0.35 0.00 0.82 0.00 0.00 66.70 66.87 2jvj h VAL 71 Cb 0.34 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2jvj h VAL 71 CO -0.09 0.12 -1.76 0.40 0.02 0.00 0.00 177.57 176.26 2jvj h ILE 72 N 0.00 0.88 0.00 4.57 2.04 0.23 -3.45 117.51 121.78 2jvj h ILE 72 Ca -0.00 -2.46 -0.02 0.00 1.00 0.00 0.00 64.86 63.39 2jvj h ILE 72 Cb 0.38 2.70 -0.00 0.00 -0.74 0.00 0.00 36.82 39.16 2jvj h ILE 72 CO 0.02 0.85 -0.47 -0.67 0.00 0.00 0.00 178.15 177.87 2jvj n ASP 73 N -3.62 0.86 0.00 1.72 2.03 -0.74 -5.01 116.55 111.80 2jvj n ASP 73 Ca -0.26 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.16 2jvj n ASP 73 Cb 1.05 -0.28 0.00 0.00 -0.72 0.00 0.00 41.12 41.17 2jvj n ASP 73 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jvj n GLU 74 N -3.44 0.00 -0.00 -0.67 1.02 -0.61 -4.68 120.64 112.27 2jvj n GLU 74 Ca -0.03 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2jvj n GLU 74 Cb 0.22 -2.09 -0.00 0.00 -0.02 0.00 0.00 31.44 29.55 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 4.98 -4.68 1.62 3.02 -1.26 -5.01 115.26 113.93 2jvj n ASN 75 Ca 0.00 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.11 2jvj n ASN 75 Cb 0.00 0.72 -0.04 0.00 -0.61 0.00 0.00 39.78 39.85 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 -1.79 0.38 -2.59 2.41 3.06 -1.26 -4.91 119.36 114.66 2jvj n ILE 76 Ca -0.00 -0.07 -0.42 0.00 -2.50 0.00 0.00 62.75 59.76 2jvj n ILE 76 Cb 0.29 -1.98 -0.03 0.00 0.54 0.00 0.00 39.64 38.46 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 2.84 3.38 -0.45 9.51 1.81 -0.58 -4.83 118.95 130.65 2jvj s ARG 77 Ca 0.84 0.03 -0.24 0.00 -1.72 0.00 0.00 55.73 54.65 2jvj s ARG 77 Cb -0.56 -4.08 0.02 0.00 -0.45 0.00 0.00 34.95 29.88 2jvj s ARG 77 CO 0.41 -1.85 0.83 0.14 -0.68 0.00 0.00 175.30 174.15 2jvj s VAL 78 N 5.18 4.60 -0.08 3.52 -7.23 -1.26 -0.43 120.40 124.70 2jvj s VAL 78 Ca 0.39 0.57 0.01 0.00 -1.81 0.00 0.00 61.98 61.14 2jvj s VAL 78 Cb -0.08 -4.35 -0.03 0.00 0.56 0.00 0.00 36.38 32.48 2jvj s VAL 78 CO 0.21 -0.73 -0.08 -0.63 -0.31 0.00 0.00 175.10 173.56 2jvj s ILE 79 N 3.42 3.57 -0.17 -0.62 -1.09 0.17 0.19 121.20 126.68 2jvj s ILE 79 Ca 0.32 -0.52 -0.03 0.00 -2.23 0.00 0.00 60.65 58.20 2jvj s ILE 79 Cb -0.12 -2.47 -0.02 0.00 -1.58 0.00 0.00 42.46 38.28 2jvj s ILE 79 CO 0.23 0.58 -0.06 -0.51 -1.23 0.00 0.00 174.94 173.95 2jvj s ILE 80 N -0.55 3.49 -0.14 2.92 2.07 0.47 -1.08 121.20 128.39 2jvj s ILE 80 Ca 0.08 -0.49 0.16 0.00 -1.41 0.00 0.00 60.65 58.99 2jvj s ILE 80 Cb -0.12 -2.53 0.31 0.00 0.13 0.00 0.00 42.46 40.25 2jvj s ILE 80 CO 0.02 0.48 1.16 1.15 -1.91 0.00 0.00 174.94 175.84 2jvj n MET 81 N 3.92 1.24 0.00 3.50 0.00 -0.49 -0.83 117.12 124.46 2jvj n MET 81 Ca -0.18 -2.65 0.00 0.00 0.00 0.00 0.00 57.70 54.88 2jvj n MET 81 Cb 0.52 -1.43 0.00 0.00 0.00 0.00 0.00 33.22 32.31 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 -1.22 0.00 -1.71 3.17 5.66 -1.04 -4.19 114.28 114.95 2jvj n THR 82 Ca 0.15 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.84 2jvj n THR 82 Cb 0.67 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.41 2jvj n THR 82 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jvj s ALA 83 N -2.40 1.58 -1.65 1.79 0.00 -1.26 -3.60 121.76 116.22 2jvj s ALA 83 Ca 0.00 -0.40 0.13 0.00 0.00 0.00 0.00 51.96 51.69 2jvj s ALA 83 Cb 0.00 -4.40 0.72 0.00 0.00 0.00 0.00 23.12 19.44 2jvj s ALA 83 CO 0.00 -4.64 1.30 2.48 0.00 0.00 0.00 175.76 174.90 2jvj n TYR 84 N 15.57 0.00 0.95 0.00 4.11 -1.26 -0.87 117.16 135.66 2jvj n TYR 84 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.25 2jvj n TYR 84 Cb 0.52 -0.18 0.00 0.00 -0.00 0.00 0.00 39.34 39.68 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 -0.16 1.44 0.02 -7.48 0.00 -1.26 -3.38 105.19 94.37 2jvj n GLY 85 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 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 0.03 0.10 0.00 1.61 1.02 -0.04 -1.63 120.64 121.73 2jvj n GLU 86 Ca 0.00 0.03 0.07 0.00 -0.02 0.00 0.00 57.16 57.25 2jvj n GLU 86 Cb 0.24 -1.57 0.33 0.00 -0.02 0.00 0.00 31.44 30.43 2jvj n GLU 86 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 2jvj n LEU 87 N -1.71 0.00 -0.08 -4.62 -0.00 -1.22 0.24 117.00 109.61 2jvj n LEU 87 Ca 0.05 0.49 -0.07 0.00 -0.00 0.00 0.00 56.01 56.48 2jvj n LEU 87 Cb 0.37 -0.49 -0.02 0.00 -0.00 0.00 0.00 43.42 43.28 2jvj n LEU 87 CO 0.34 -0.23 -0.54 -0.67 -0.00 0.00 0.00 177.39 176.30 2jvj n ASP 88 N -1.49 1.80 -0.03 1.45 -0.08 -0.93 -4.48 116.55 112.78 2jvj n ASP 88 Ca 0.04 0.41 -0.08 0.00 -1.51 0.00 0.00 54.79 53.66 2jvj n ASP 88 Cb 0.18 -0.77 -0.07 0.00 2.34 0.00 0.00 41.12 42.81 2jvj n ASP 88 CO 0.00 0.00 0.00 -0.03 0.12 0.00 0.00 177.20 177.29 2jvj h MET 89 N -0.95 -0.05 -0.32 -0.67 4.05 -1.26 -3.10 114.93 112.63 2jvj h MET 89 Ca 0.00 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.32 2jvj h MET 89 Cb 0.79 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.59 2jvj h MET 89 CO 0.00 0.42 -0.25 0.00 0.23 0.00 0.00 176.91 177.31 2jvj h ALA 90 N -0.49 0.98 0.38 0.39 0.00 -0.45 -0.03 119.26 120.04 2jvj h ALA 90 Ca -0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 2jvj h ALA 90 Cb 0.49 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2jvj h ALA 90 CO 0.01 0.60 -0.18 0.37 0.00 0.00 0.00 179.25 180.04 2jvj h GLN 91 N 0.55 -0.50 0.00 0.00 4.15 -0.75 -2.59 115.11 115.96 2jvj h GLN 91 Ca 0.08 0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.51 2jvj h GLN 91 Cb 0.71 0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.51 2jvj h GLN 91 CO 0.05 -0.21 -0.09 0.93 -1.93 0.00 0.00 178.83 177.59 2jvj h GLU 92 N -0.75 0.00 -0.18 1.69 5.08 -1.49 -1.90 114.58 117.03 2jvj h GLU 92 Ca -0.05 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 2jvj h GLU 92 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2jvj h GLU 92 CO 0.09 0.09 -0.30 1.03 -1.00 0.00 0.00 179.01 178.91 2jvj h SER 93 N 0.00 0.35 0.00 1.42 0.87 -0.85 -3.45 113.55 111.89 2jvj h SER 93 Ca -0.00 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2jvj h SER 93 Cb 0.51 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2jvj h SER 93 CO 0.01 0.64 0.00 1.17 -0.53 0.00 0.00 176.83 178.13 2jvj n LYS 94 N -4.10 0.00 0.00 2.24 3.00 -0.81 -5.08 118.16 113.41 2jvj n LYS 94 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 2jvj n LYS 94 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.45 2jvj n LYS 94 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2jvj n GLU 95 N -0.84 0.00 -0.10 1.64 2.13 -0.78 -5.02 120.64 117.67 2jvj n GLU 95 Ca 0.00 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.62 2jvj n GLU 95 Cb 0.00 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 31.59 2jvj n GLU 95 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2jvj n LEU 96 N -0.60 2.82 -0.66 4.31 4.77 -1.26 -4.64 117.00 121.75 2jvj n LEU 96 Ca 0.00 -0.02 -0.08 0.00 -0.03 0.00 0.00 56.01 55.88 2jvj n LEU 96 Cb 0.00 -0.96 -0.03 0.00 -2.33 0.00 0.00 43.42 40.11 2jvj n LEU 96 CO 0.00 0.89 -0.08 0.61 -1.33 0.00 0.00 177.39 177.48 2jvj n GLY 97 N 2.13 0.75 0.39 -0.72 0.00 -1.26 -4.42 105.19 102.06 2jvj n GLY 97 Ca -0.43 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 0.54 -0.92 -1.47 4.61 0.00 -1.26 -3.90 120.51 118.10 2jvj n ALA 98 Ca -0.08 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2jvj n ALA 98 Cb 0.33 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 -1.71 0.00 -4.72 0.00 4.77 0.13 -4.82 117.00 110.66 2jvj n LEU 99 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 2jvj n LEU 99 Cb 0.11 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 2jvj n LEU 99 CO 0.00 0.00 1.28 -0.89 -1.33 0.00 0.00 177.39 176.45 2jvj s THR 100 N 0.23 2.39 0.11 -5.08 2.01 -1.26 -4.79 115.64 109.25 2jvj s THR 100 Ca 0.00 0.28 0.06 0.00 0.31 0.00 0.00 61.69 62.35 2jvj s THR 100 Cb 0.00 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 2jvj s THR 100 CO 0.00 0.02 -0.15 -1.38 -0.69 0.00 0.00 174.62 172.42 2jvj s HIS 101 N 1.15 1.45 -0.24 4.92 -3.43 -1.26 -0.39 115.29 117.49 2jvj s HIS 101 Ca 0.72 -0.51 -0.16 0.00 -0.80 0.00 0.00 55.06 54.31 2jvj s HIS 101 Cb -0.46 -0.77 0.07 0.00 -1.43 0.00 0.00 32.58 29.99 2jvj s HIS 101 CO 0.31 0.15 0.60 -0.06 -2.00 0.00 0.00 174.74 173.75 2jvj s PHE 102 N -1.85 -0.86 -1.24 0.38 0.08 -0.01 -4.97 117.98 109.51 2jvj s PHE 102 Ca 0.07 1.81 0.27 0.00 0.12 0.00 0.00 56.93 59.20 2jvj s PHE 102 Cb -0.07 0.45 0.88 0.00 -0.57 0.00 0.00 43.02 43.71 2jvj s PHE 102 CO 0.03 -0.43 1.66 0.00 -0.10 0.00 0.00 175.22 176.38 2jvj n ALA 103 N 3.92 3.01 -2.90 5.36 0.00 -1.24 -2.49 120.51 126.18 2jvj n ALA 103 Ca -0.19 -0.28 -0.19 0.00 0.00 0.00 0.00 53.44 52.78 2jvj n ALA 103 Cb 0.57 -1.26 -0.15 0.00 0.00 0.00 0.00 19.45 18.61 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 -2.82 0.74 -0.72 0.00 1.02 -1.26 -4.68 119.74 112.03 2jvj s LYS 104 Ca 0.17 -0.27 -0.26 0.00 0.02 0.00 0.00 55.97 55.64 2jvj s LYS 104 Cb 0.19 -0.72 -0.02 0.00 -0.52 0.00 0.00 37.83 36.76 2jvj s LYS 104 CO 0.58 0.13 1.82 -2.14 -0.92 0.00 0.00 175.35 174.82 2jvj s PRO 105 N 0.04 2.69 0.42 -1.68 0.02 -1.26 -4.94 135.00 130.30 2jvj s PRO 105 Ca -0.00 0.22 0.07 0.00 0.02 0.00 0.00 61.00 61.31 2jvj s PRO 105 Cb -0.06 -4.59 0.01 0.00 0.02 0.00 0.00 34.50 29.88 2jvj s PRO 105 CO -0.00 -2.84 0.58 0.12 -0.33 0.00 0.00 177.00 174.53 2jvj s PHE 106 N 8.91 2.85 0.24 6.54 5.36 -1.26 -5.04 117.98 135.57 2jvj s PHE 106 Ca 0.64 -0.34 -0.30 0.00 -0.96 0.00 0.00 56.93 55.97 2jvj s PHE 106 Cb -0.10 -2.38 -0.14 0.00 -0.34 0.00 0.00 43.02 40.06 2jvj s PHE 106 CO 0.13 -0.42 1.11 -3.47 -1.46 0.00 0.00 175.22 171.11 2jvj n ASP 107 N -1.87 1.50 0.31 6.13 -0.08 -1.26 -4.85 116.55 116.43 2jvj n ASP 107 Ca 0.07 1.16 0.19 0.00 -1.51 0.00 0.00 54.79 54.71 2jvj n ASP 107 Cb 0.59 -1.28 1.00 0.00 2.34 0.00 0.00 41.12 43.77 2jvj n ASP 107 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 2jvj h ILE 108 N 2.35 0.13 -0.41 5.18 -2.65 -1.99 -2.33 117.51 117.79 2jvj h ILE 108 Ca -0.41 -0.20 0.04 0.00 1.03 0.00 0.00 64.86 65.32 2jvj h ILE 108 Cb 1.33 1.17 -0.04 0.00 -2.05 0.00 0.00 36.82 37.23 2jvj h ILE 108 CO 0.66 0.02 0.19 -0.78 0.03 0.00 0.00 178.15 178.26 2jvj h ASP 109 N 0.00 0.26 0.76 2.16 1.82 -2.00 0.33 116.42 119.76 2jvj h ASP 109 Ca -0.00 0.03 -0.03 0.00 -0.39 0.00 0.00 57.03 56.64 2jvj h ASP 109 Cb 0.17 -0.02 -0.00 0.00 0.68 0.00 0.00 39.33 40.16 2jvj h ASP 109 CO 0.00 0.19 -0.16 -0.08 -1.61 0.00 0.00 179.24 177.58 2jvj h GLU 110 N 0.38 0.00 0.00 0.28 4.81 -1.78 -1.84 114.58 116.44 2jvj h GLU 110 Ca 0.18 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 2jvj h GLU 110 Cb 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2jvj h GLU 110 CO -0.14 0.16 -0.07 0.82 -0.73 0.00 0.00 179.01 179.04 2jvj h ILE 111 N 0.00 1.65 -0.64 2.32 5.03 -0.89 0.12 117.51 125.10 2jvj h ILE 111 Ca -0.00 -2.01 -0.02 0.00 -0.12 0.00 0.00 64.86 62.71 2jvj h ILE 111 Cb 0.58 3.01 -0.03 0.00 -3.03 0.00 0.00 36.82 37.34 2jvj h ILE 111 CO 0.02 0.53 0.34 0.08 -0.68 0.00 0.00 178.15 178.44 2jvj h ARG 112 N -0.78 0.89 -0.01 2.37 0.11 -0.43 0.24 114.38 116.77 2jvj h ARG 112 Ca -0.01 -0.10 -0.00 0.00 0.10 0.00 0.00 59.98 59.97 2jvj h ARG 112 Cb 0.91 -0.18 -0.00 0.00 1.11 0.00 0.00 29.97 31.81 2jvj h ARG 112 CO 0.01 0.67 0.01 0.22 0.10 0.00 0.00 179.97 180.98 2jvj h ASP 113 N 0.90 0.02 -0.66 0.08 3.58 -1.35 -2.01 116.42 116.98 2jvj h ASP 113 Ca 0.23 -0.09 0.05 0.00 0.42 0.00 0.00 57.03 57.63 2jvj h ASP 113 Cb 0.05 -0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.05 2jvj h ASP 113 CO -0.03 0.10 0.43 0.00 -2.88 0.00 0.00 179.24 176.86 2jvj h ALA 114 N 0.91 1.69 0.18 -0.78 0.00 0.25 0.25 119.26 121.76 2jvj h ALA 114 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2jvj h ALA 114 Cb 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2jvj h ALA 114 CO -0.00 0.23 -0.09 0.28 0.00 0.00 0.00 179.25 179.67 2jvj h VAL 115 N 0.74 0.82 0.00 0.00 2.07 -0.31 -0.58 116.25 118.99 2jvj h VAL 115 Ca 0.27 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.79 2jvj h VAL 115 Cb 0.15 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2jvj h VAL 115 CO -0.08 0.00 0.00 2.29 0.02 0.00 0.00 177.57 179.80 2jvj n LYS 116 N -5.19 0.49 0.04 1.57 2.85 -0.66 -1.32 118.16 115.94 2jvj n LYS 116 Ca -0.09 0.02 -0.22 0.00 -1.05 0.00 0.00 58.31 56.97 2jvj n LYS 116 Cb 0.12 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 32.86 2jvj n LYS 116 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 2jvj h LYS 117 N 0.00 0.32 0.03 -1.58 1.79 -0.06 -3.41 116.57 113.66 2jvj h LYS 117 Ca 0.00 -0.54 -0.30 0.00 -2.18 0.00 0.00 60.65 57.62 2jvj h LYS 117 Cb 0.22 0.20 -0.04 0.00 -1.58 0.00 0.00 32.23 31.03 2jvj h LYS 117 CO 0.00 1.26 -1.73 -0.92 -1.08 0.00 0.00 179.45 176.98 2jvj h TYR 118 N -0.04 0.13 -4.11 -1.35 3.20 -0.91 -3.48 116.97 110.40 2jvj h TYR 118 Ca -0.35 -0.09 -0.54 0.00 3.14 0.00 0.00 58.73 60.88 2jvj h TYR 118 Cb 1.97 -0.01 0.14 0.00 1.54 0.00 0.00 36.73 40.37 2jvj h TYR 118 CO 0.10 1.19 0.48 -0.48 -1.64 0.00 0.00 178.16 177.81 2jvj s LEU 119 N -6.37 3.58 0.00 2.82 -0.00 -0.43 -4.95 118.68 113.33 2jvj s LEU 119 Ca -0.08 2.48 0.00 0.00 -0.00 0.00 0.00 54.13 56.53 2jvj s LEU 119 Cb 0.08 -4.61 0.00 0.00 -0.00 0.00 0.00 46.19 41.66 2jvj s LEU 119 CO 0.82 -1.86 0.96 -0.81 -0.00 0.00 0.00 176.35 175.45 2jvj n PRO 120 N -1.88 0.00 -1.69 1.48 -0.04 -1.26 -4.86 135.00 126.74 2jvj n PRO 120 Ca 0.15 0.71 -0.20 0.00 -0.04 0.00 0.00 63.50 64.12 2jvj n PRO 120 Cb 0.49 -1.46 -0.07 0.00 -0.04 0.00 0.00 33.50 32.42 2jvj n PRO 120 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2jvj n LEU 121 N -2.35 -1.50 0.00 1.53 4.77 -1.26 -4.97 117.00 113.22 2jvj n LEU 121 Ca 0.00 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 2jvj n LEU 121 Cb 0.00 -2.75 0.00 0.00 -2.33 0.00 0.00 43.42 38.34 2jvj n LEU 121 CO 0.00 -0.91 0.00 2.29 -1.33 0.00 0.00 177.39 177.44 2jvj n LYS 122 N -2.40 2.60 -0.03 3.23 2.85 -1.26 -5.04 118.16 118.11 2jvj n LYS 122 Ca -0.20 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 56.85 2jvj n LYS 122 Cb 0.65 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.90 2jvj n LYS 122 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2jvj n SER 123 N 0.00 2.08 0.11 -5.58 3.41 -1.26 -4.19 113.62 108.19 2jvj n SER 123 Ca 0.00 0.17 0.12 0.00 -0.26 0.00 0.00 58.87 58.90 2jvj n SER 123 Cb 0.00 -0.79 0.15 0.00 -0.26 0.00 0.00 64.21 63.31 2jvj n SER 123 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 2jvj h ASN 124 N -0.06 0.00 0.00 4.04 -1.24 -1.97 -3.43 115.58 112.93 2jvj h ASN 124 Ca -0.45 -0.09 0.00 0.00 0.71 0.00 0.00 56.30 56.47 2jvj h ASN 124 Cb 1.94 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.99 2jvj h ASN 124 CO 0.02 0.04 0.00 0.18 -1.29 0.00 0.00 177.43 176.38 2jvj n LEU 125 N -2.47 0.00 0.00 0.34 4.77 -1.26 -3.08 117.00 115.30 2jvj n LEU 125 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2jvj n LEU 125 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2jvj n LEU 125 CO 0.36 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.80 2jvj n GLU 126 N 0.00 0.00 -2.73 3.23 -0.58 -1.26 -4.90 120.64 114.40 2jvj n GLU 126 Ca 0.00 0.02 -0.04 0.00 -0.42 0.00 0.00 57.16 56.73 2jvj n GLU 126 Cb 0.00 -0.43 0.02 0.00 -0.57 0.00 0.00 31.44 30.46 2jvj n GLU 126 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2jvj n HIS 127 N -2.26 -2.92 -3.15 -0.32 -0.00 -1.18 -5.11 115.22 100.28 2jvj n HIS 127 Ca 0.00 -1.17 0.05 0.00 -0.00 0.00 0.00 57.72 56.60 2jvj n HIS 127 Cb 0.00 1.38 -0.01 0.00 -0.00 0.00 0.00 29.99 31.36 2jvj n HIS 127 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jvj s HIS 128 N 0.88 -0.65 -0.34 1.57 3.76 -1.19 -5.12 115.29 114.19 2jvj s HIS 128 Ca 0.28 0.56 -0.29 0.00 -0.15 0.00 0.00 55.06 55.46 2jvj s HIS 128 Cb 0.05 0.18 0.02 0.00 1.11 0.00 0.00 32.58 33.93 2jvj s HIS 128 CO -0.07 -0.36 1.12 -3.38 -0.85 0.00 0.00 174.74 171.20 2jvj s HIS 129 N 2.94 3.01 -0.09 1.40 -3.43 -1.26 -4.32 115.29 113.54 2jvj s HIS 129 Ca 0.10 1.06 -0.06 0.00 -0.80 0.00 0.00 55.06 55.35 2jvj s HIS 129 Cb -0.08 -3.86 0.02 0.00 -1.43 0.00 0.00 32.58 27.24 2jvj s HIS 129 CO -0.16 -1.01 0.13 0.72 -2.00 0.00 0.00 174.74 172.41 2jvj n HIS 130 N 7.17 -2.91 -1.78 0.38 8.25 -1.26 -4.84 115.22 120.22 2jvj n HIS 130 Ca 0.12 1.71 -0.43 0.00 -0.26 0.00 0.00 57.72 58.86 2jvj n HIS 130 Cb 0.47 -3.08 -0.03 0.00 1.12 0.00 0.00 29.99 28.48 2jvj n HIS 130 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jvj s HIS 131 N -0.41 1.47 0.00 4.41 2.46 -1.26 -5.20 115.29 116.75 2jvj s HIS 131 Ca -0.15 0.43 0.00 0.00 0.47 0.00 0.00 55.06 55.81 2jvj s HIS 131 Cb 0.01 -4.03 0.00 0.00 -0.13 0.00 0.00 32.58 28.43 2jvj s HIS 131 CO 0.40 -3.85 0.13 -2.39 -2.47 0.00 0.00 174.74 166.57