#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 0.54 0.00 2.12 2.81 -1.26 -4.87 117.12 116.46 2jvj n MET 2 Ca 0.00 0.27 0.00 0.00 -1.81 0.00 0.00 57.70 56.16 2jvj n MET 2 Cb 0.00 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.03 2jvj n MET 2 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 2jvj n ASN 3 N -4.42 0.00 -4.64 7.83 2.04 -1.26 -5.07 115.26 109.73 2jvj n ASN 3 Ca -0.24 -0.52 -0.43 0.00 -0.44 0.00 0.00 54.58 52.94 2jvj n ASN 3 Cb 0.59 0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 37.82 2jvj n ASN 3 CO 0.00 0.00 0.00 -1.83 -0.44 0.00 0.00 177.26 174.99 2jvj s GLU 4 N 0.00 4.12 -0.16 -3.83 1.03 -1.26 -4.88 118.70 113.72 2jvj s GLU 4 Ca 0.00 1.17 -0.07 0.00 0.03 0.00 0.00 54.97 56.10 2jvj s GLU 4 Cb 0.00 -3.71 0.07 0.00 -0.80 0.00 0.00 34.13 29.68 2jvj s GLU 4 CO 0.00 -0.83 0.36 0.15 -1.33 0.00 0.00 175.26 173.61 2jvj s LYS 5 N 3.54 0.30 -0.07 -4.83 1.02 -1.26 0.93 119.74 119.36 2jvj s LYS 5 Ca 0.46 0.82 -0.07 0.00 0.02 0.00 0.00 55.97 57.20 2jvj s LYS 5 Cb -0.13 0.06 0.02 0.00 -0.52 0.00 0.00 37.83 37.26 2jvj s LYS 5 CO 0.13 -0.21 0.19 0.42 -0.92 0.00 0.00 175.35 174.96 2jvj s ILE 6 N 1.93 -0.00 -0.24 2.17 1.01 0.21 -1.07 121.20 125.20 2jvj s ILE 6 Ca -0.05 0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.61 2jvj s ILE 6 Cb -0.10 -0.28 0.04 0.00 0.01 0.00 0.00 42.46 42.13 2jvj s ILE 6 CO -0.11 0.00 -0.11 -0.22 0.00 0.00 0.00 174.94 174.50 2jvj s LEU 7 N 0.16 3.12 -0.32 2.97 1.98 0.26 -0.95 118.68 125.90 2jvj s LEU 7 Ca -0.00 -1.07 -0.12 0.00 -2.89 0.00 0.00 54.13 50.05 2jvj s LEU 7 Cb -0.02 -1.58 -0.02 0.00 0.66 0.00 0.00 46.19 45.23 2jvj s LEU 7 CO -0.00 -0.14 0.21 -0.63 -1.89 0.00 0.00 176.35 173.90 2jvj s ILE 8 N 1.22 5.07 -0.37 6.68 1.09 -0.34 0.12 121.20 134.67 2jvj s ILE 8 Ca -0.03 -0.22 -0.08 0.00 -1.10 0.00 0.00 60.65 59.22 2jvj s ILE 8 Cb -0.17 -3.57 0.05 0.00 -1.06 0.00 0.00 42.46 37.71 2jvj s ILE 8 CO -0.06 0.05 0.18 -0.69 -0.10 0.00 0.00 174.94 174.32 2jvj s VAL 9 N 1.69 4.03 -0.15 2.92 1.01 0.20 -0.24 120.40 129.86 2jvj s VAL 9 Ca 0.06 -1.23 -0.32 0.00 0.00 0.00 0.00 61.98 60.49 2jvj s VAL 9 Cb -0.17 -3.36 0.13 0.00 0.00 0.00 0.00 36.38 32.98 2jvj s VAL 9 CO 0.09 -0.32 1.12 -0.62 0.00 0.00 0.00 175.10 175.37 2jvj s ASP 10 N 1.69 -0.21 -0.25 3.32 2.15 0.45 -0.67 116.67 123.15 2jvj s ASP 10 Ca 0.01 0.07 0.11 0.00 0.43 0.00 0.00 52.55 53.17 2jvj s ASP 10 Cb -0.21 0.21 0.74 0.00 -0.30 0.00 0.00 42.92 43.36 2jvj s ASP 10 CO 0.03 -0.32 1.69 -0.67 -0.17 0.00 0.00 175.17 175.73 2jvj n ASP 11 N 0.07 5.13 -4.63 -0.34 2.03 -1.26 -4.43 116.55 113.12 2jvj n ASP 11 Ca -0.03 -2.96 -0.43 0.00 0.52 0.00 0.00 54.79 51.89 2jvj n ASP 11 Cb 0.59 -0.70 -0.03 0.00 -0.72 0.00 0.00 41.12 40.26 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 -2.70 3.67 0.27 -0.67 -1.52 -1.26 -4.85 119.66 112.59 2jvj s GLN 12 Ca 0.51 2.02 -0.03 0.00 -1.95 0.00 0.00 55.36 55.91 2jvj s GLN 12 Cb 0.40 -4.18 0.56 0.00 -0.22 0.00 0.00 33.01 29.57 2jvj s GLN 12 CO 0.14 -1.48 1.62 -0.92 -0.25 0.00 0.00 175.29 174.41 2jvj h TYR 13 N 12.11 0.03 0.00 0.91 3.20 -2.03 -2.72 116.97 128.47 2jvj h TYR 13 Ca -0.40 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.53 2jvj h TYR 13 Cb 1.20 0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.59 2jvj h TYR 13 CO 0.93 -0.27 -0.17 0.41 -1.64 0.00 0.00 178.16 177.42 2jvj n GLY 14 N -1.43 1.96 0.13 1.82 0.00 -1.26 -4.76 105.19 101.65 2jvj n GLY 14 Ca 0.17 -0.41 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 2jvj n GLY 14 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2jvj n ILE 15 N -0.60 1.71 0.29 -0.61 2.08 -1.02 -3.10 119.36 118.10 2jvj n ILE 15 Ca 0.06 -0.53 0.16 0.00 0.56 0.00 0.00 62.75 63.00 2jvj n ILE 15 Cb 0.58 -1.77 0.83 0.00 -0.75 0.00 0.00 39.64 38.53 2jvj n ILE 15 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 2jvj h ARG 16 N -0.16 0.00 0.00 0.38 -0.00 -1.86 -1.40 114.38 111.35 2jvj h ARG 16 Ca -0.43 0.00 -0.25 0.00 -0.50 0.00 0.00 59.98 58.79 2jvj h ARG 16 Cb 1.88 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 31.81 2jvj h ARG 16 CO 0.00 0.06 -1.42 0.97 0.00 0.00 0.00 179.97 179.58 2jvj h ILE 17 N 0.00 1.14 -0.61 2.04 6.09 -1.87 -3.25 117.51 121.05 2jvj h ILE 17 Ca -0.00 -2.92 0.08 0.00 -1.37 0.00 0.00 64.86 60.65 2jvj h ILE 17 Cb 0.32 2.55 -0.06 0.00 0.47 0.00 0.00 36.82 40.10 2jvj h ILE 17 CO 0.01 0.65 0.28 -0.07 -3.07 0.00 0.00 178.15 175.95 2jvj h LEU 18 N 0.00 0.36 -1.61 2.19 3.38 -1.21 -0.11 115.31 118.32 2jvj h LEU 18 Ca -0.18 0.05 0.10 0.00 0.09 0.00 0.00 57.88 57.95 2jvj h LEU 18 Cb 1.90 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.61 2jvj h LEU 18 CO 0.10 0.22 0.42 -0.07 0.09 0.00 0.00 178.44 179.20 2jvj h LEU 19 N 0.51 0.40 0.02 1.67 -0.00 -1.47 -0.96 115.31 115.47 2jvj h LEU 19 Ca 0.29 0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 58.18 2jvj h LEU 19 Cb 0.29 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 40.87 2jvj h LEU 19 CO -0.24 0.24 -0.01 0.78 -0.00 0.00 0.00 178.44 179.21 2jvj h ASN 20 N 0.44 -0.02 0.06 -0.43 -0.26 -1.07 -0.70 115.58 113.60 2jvj h ASN 20 Ca 0.29 -0.36 -0.03 0.00 -0.56 0.00 0.00 56.30 55.64 2jvj h ASN 20 Cb 0.57 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.82 2jvj h ASN 20 CO -0.09 0.36 -0.08 -0.33 -1.06 0.00 0.00 177.43 176.23 2jvj h GLU 21 N -0.39 0.08 0.07 0.81 5.08 -0.79 0.46 114.58 119.88 2jvj h GLU 21 Ca -0.00 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2jvj h GLU 21 Cb 0.38 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2jvj h GLU 21 CO 0.00 0.17 -0.03 0.28 -1.00 0.00 0.00 179.01 178.43 2jvj h VAL 22 N 0.08 1.23 0.00 3.13 2.07 -1.01 -3.44 116.25 118.30 2jvj h VAL 22 Ca 0.02 -1.15 -0.12 0.00 0.82 0.00 0.00 66.70 66.27 2jvj h VAL 22 Cb 0.20 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 2jvj h VAL 22 CO 0.01 0.28 -1.43 0.49 0.02 0.00 0.00 177.57 176.94 2jvj n PHE 23 N -4.89 0.00 -0.37 1.57 3.72 -0.29 -4.17 117.46 113.04 2jvj n PHE 23 Ca -0.09 0.00 0.34 0.00 -0.05 0.00 0.00 57.45 57.66 2jvj n PHE 23 Cb 0.27 -0.28 0.69 0.00 -0.94 0.00 0.00 39.48 39.21 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 -0.12 0.13 0.17 4.37 -0.73 0.37 1.12 115.58 120.89 2jvj h ASN 24 Ca -0.18 0.03 -0.34 0.00 1.87 0.00 0.00 56.30 57.68 2jvj h ASN 24 Cb 1.22 0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.83 2jvj h ASN 24 CO -0.07 -0.00 -1.72 0.07 -0.37 0.00 0.00 177.43 175.35 2jvj h LYS 25 N 0.10 0.35 0.00 6.67 2.10 -1.75 -3.40 116.57 120.64 2jvj h LYS 25 Ca 0.64 -0.60 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 2jvj h LYS 25 Cb 2.28 0.22 0.00 0.00 -0.90 0.00 0.00 32.23 33.83 2jvj h LYS 25 CO -0.12 1.29 -0.62 -0.85 -2.00 0.00 0.00 179.45 177.14 2jvj n GLU 26 N -3.65 1.29 -0.03 0.07 0.28 0.43 -4.18 120.64 114.87 2jvj n GLU 26 Ca -0.26 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 56.74 2jvj n GLU 26 Cb 1.04 -0.81 -0.00 0.00 1.43 0.00 0.00 31.44 33.09 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 0.00 -2.79 -1.84 0.00 0.97 -3.47 103.07 95.94 2jvj h GLY 27 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2jvj h GLY 27 CO 0.00 0.00 -0.02 -0.19 0.00 0.00 0.00 176.54 176.33 2jvj s TYR 28 N -1.35 -0.13 -0.94 5.60 2.02 0.49 -4.74 117.35 118.31 2jvj s TYR 28 Ca -0.02 -0.20 -0.21 0.00 -0.37 0.00 0.00 57.07 56.28 2jvj s TYR 28 Cb 0.00 0.33 -0.11 0.00 -0.40 0.00 0.00 41.96 41.78 2jvj s TYR 28 CO 0.02 -0.83 1.98 0.94 -1.57 0.00 0.00 175.55 176.09 2jvj n GLN 29 N -0.30 1.79 -3.00 -0.62 0.00 0.27 -0.02 117.38 115.50 2jvj n GLN 29 Ca -0.12 -2.05 -0.42 0.00 -0.00 0.00 0.00 57.00 54.40 2jvj n GLN 29 Cb 0.63 -3.05 -0.06 0.00 0.00 0.00 0.00 30.24 27.76 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 5.04 4.76 0.48 1.69 -4.23 -1.18 0.66 115.64 122.86 2jvj s THR 30 Ca 0.56 0.73 0.05 0.00 -1.18 0.00 0.00 61.69 61.85 2jvj s THR 30 Cb 0.13 -4.19 -0.02 0.00 1.34 0.00 0.00 72.50 69.76 2jvj s THR 30 CO 0.08 -0.45 0.20 0.12 -0.54 0.00 0.00 174.62 174.03 2jvj s PHE 31 N 3.02 2.11 0.06 3.99 5.36 -0.12 -4.04 117.98 128.36 2jvj s PHE 31 Ca 0.29 -0.76 0.05 0.00 -0.96 0.00 0.00 56.93 55.55 2jvj s PHE 31 Cb -0.13 -1.85 -0.04 0.00 -0.34 0.00 0.00 43.02 40.66 2jvj s PHE 31 CO 0.17 0.00 -0.05 1.14 -1.46 0.00 0.00 175.22 175.03 2jvj s GLN 32 N -4.01 2.44 -0.03 10.12 0.00 -1.26 -1.20 119.66 125.73 2jvj s GLN 32 Ca 0.29 -0.85 0.01 0.00 -0.00 0.00 0.00 55.36 54.82 2jvj s GLN 32 Cb 0.02 -2.47 0.02 0.00 0.00 0.00 0.00 33.01 30.58 2jvj s GLN 32 CO 0.17 0.55 -0.02 0.00 0.00 0.00 0.00 175.29 175.99 2jvj s ALA 33 N -1.18 0.41 -0.76 2.60 0.00 0.66 -4.84 121.76 118.65 2jvj s ALA 33 Ca 0.22 0.06 0.23 0.00 0.00 0.00 0.00 51.96 52.47 2jvj s ALA 33 Cb -0.11 -0.31 0.10 0.00 0.00 0.00 0.00 23.12 22.80 2jvj s ALA 33 CO 0.13 -0.03 1.09 0.00 0.00 0.00 0.00 175.76 176.95 2jvj n ALA 34 N 3.94 3.66 -2.61 0.00 0.00 -1.26 -0.41 120.51 123.82 2jvj n ALA 34 Ca -0.25 -0.43 -0.09 0.00 0.00 0.00 0.00 53.44 52.68 2jvj n ALA 34 Cb 0.52 -0.97 -0.07 0.00 0.00 0.00 0.00 19.45 18.93 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 -3.57 0.08 0.49 0.00 0.01 -1.26 -4.56 114.94 106.13 2jvj s ASN 35 Ca 0.06 -0.68 0.23 0.00 -0.71 0.00 0.00 52.86 51.76 2jvj s ASN 35 Cb 0.15 0.37 1.26 0.00 0.41 0.00 0.00 41.25 43.44 2jvj s ASN 35 CO 0.79 -0.77 2.02 1.23 -1.51 0.00 0.00 177.10 178.86 2jvj h GLY 36 N 2.68 0.00 1.48 0.66 0.00 -1.90 -0.28 103.07 105.70 2jvj h GLY 36 Ca -0.34 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.82 2jvj h GLY 36 CO 0.54 0.00 -0.61 1.41 0.00 0.00 0.00 176.54 177.88 2jvj h LEU 37 N 0.00 0.61 -0.89 3.11 3.38 -1.97 0.76 115.31 120.31 2jvj h LEU 37 Ca -0.00 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.57 2jvj h LEU 37 Cb 0.38 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2jvj h LEU 37 CO 0.02 1.07 0.24 -0.61 0.09 0.00 0.00 178.44 179.25 2jvj h GLN 38 N 0.40 1.05 -0.68 1.13 -0.00 -1.72 0.14 115.11 115.43 2jvj h GLN 38 Ca -0.00 -0.20 -0.02 0.00 -0.00 0.00 0.00 58.65 58.42 2jvj h GLN 38 Cb 1.16 -0.16 -0.03 0.00 0.00 0.00 0.00 27.48 28.45 2jvj h GLN 38 CO 0.11 0.88 0.33 0.00 0.00 0.00 0.00 178.83 180.16 2jvj h ALA 39 N 1.24 1.31 -0.31 3.38 0.00 -0.62 -1.70 119.26 122.57 2jvj h ALA 39 Ca 0.23 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 2jvj h ALA 39 Cb 0.25 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2jvj h ALA 39 CO -0.01 0.54 -0.32 1.25 0.00 0.00 0.00 179.25 180.70 2jvj h LEU 40 N 0.95 0.68 -0.21 0.00 7.12 0.11 0.39 115.31 124.36 2jvj h LEU 40 Ca 0.24 -0.28 0.06 0.00 0.13 0.00 0.00 57.88 58.03 2jvj h LEU 40 Cb 0.09 -0.19 -0.06 0.00 -0.53 0.00 0.00 40.66 39.96 2jvj h LEU 40 CO -0.03 0.96 -0.20 0.44 -0.13 0.00 0.00 178.44 179.48 2jvj h ASP 41 N 0.56 -0.63 0.21 1.25 3.32 0.05 0.19 116.42 121.37 2jvj h ASP 41 Ca 0.06 0.12 -0.15 0.00 0.02 0.00 0.00 57.03 57.08 2jvj h ASP 41 Cb 0.83 0.31 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 2jvj h ASP 41 CO 0.07 -0.24 -0.59 0.40 -1.72 0.00 0.00 179.24 177.16 2jvj h ILE 42 N -0.21 1.35 -0.03 0.35 1.08 -0.92 0.18 117.51 119.31 2jvj h ILE 42 Ca 0.13 -1.90 0.01 0.00 -0.39 0.00 0.00 64.86 62.71 2jvj h ILE 42 Cb 0.40 1.90 -0.00 0.00 -3.07 0.00 0.00 36.82 36.05 2jvj h ILE 42 CO -0.34 0.57 0.03 0.58 -0.69 0.00 0.00 178.15 178.30 2jvj h VAL 43 N 0.29 0.85 0.00 1.67 2.07 0.42 0.67 116.25 122.23 2jvj h VAL 43 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2jvj h VAL 43 Cb 1.11 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2jvj h VAL 43 CO 0.10 0.00 -1.70 1.07 0.02 0.00 0.00 177.57 177.06 2jvj n THR 44 N -4.34 0.11 -0.05 2.57 5.66 -0.00 -3.21 114.28 115.01 2jvj n THR 44 Ca -0.02 -0.45 -0.02 0.00 -3.05 0.00 0.00 64.05 60.51 2jvj n THR 44 Cb 0.12 0.04 -0.01 0.00 -1.55 0.00 0.00 70.33 68.94 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 0.01 1.09 1.57 0.54 -3.43 116.57 116.36 2jvj h LYS 45 Ca 0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 2jvj h LYS 45 Cb 0.94 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.19 2jvj h LYS 45 CO 0.00 0.00 -2.28 0.39 -0.57 0.00 0.00 179.45 176.99 2jvj n GLU 46 N -4.24 0.68 -2.07 3.15 -0.58 0.20 -5.05 120.64 112.74 2jvj n GLU 46 Ca -0.04 0.10 -0.03 0.00 -0.42 0.00 0.00 57.16 56.77 2jvj n GLU 46 Cb 0.13 -1.58 0.01 0.00 -0.57 0.00 0.00 31.44 29.44 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 -2.98 -0.86 -1.13 3.49 5.12 0.63 -5.01 116.66 115.94 2jvj n ARG 47 Ca -0.34 0.16 -0.32 0.00 -1.93 0.00 0.00 57.85 55.42 2jvj n ARG 47 Cb 1.09 -2.75 0.12 0.00 -1.16 0.00 0.00 32.46 29.76 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 -3.81 1.76 -0.16 5.56 0.02 -1.26 -4.96 135.00 132.14 2jvj s PRO 48 Ca 0.04 1.54 0.18 0.00 0.02 0.00 0.00 61.00 62.78 2jvj s PRO 48 Cb -0.00 -1.81 -0.26 0.00 0.02 0.00 0.00 34.50 32.45 2jvj s PRO 48 CO 0.13 -2.08 0.19 -3.47 -0.33 0.00 0.00 177.00 171.44 2jvj n ASP 49 N -3.46 0.09 -4.31 2.53 -0.08 -0.30 -4.87 116.55 106.15 2jvj n ASP 49 Ca 0.12 0.04 -0.31 0.00 -1.51 0.00 0.00 54.79 53.13 2jvj n ASP 49 Cb 0.52 1.03 -0.16 0.00 2.34 0.00 0.00 41.12 44.85 2jvj n ASP 49 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2jvj s LEU 50 N -5.41 2.08 -0.12 -2.67 1.02 -0.23 -2.00 118.68 111.35 2jvj s LEU 50 Ca -0.09 -0.46 0.01 0.00 0.02 0.00 0.00 54.13 53.60 2jvj s LEU 50 Cb 0.07 -1.35 0.02 0.00 0.02 0.00 0.00 46.19 44.95 2jvj s LEU 50 CO 0.84 0.32 -0.12 -0.69 0.02 0.00 0.00 176.35 176.72 2jvj s VAL 51 N -0.59 1.30 -0.23 -1.59 1.01 0.12 0.92 120.40 121.35 2jvj s VAL 51 Ca 0.09 -0.48 -0.16 0.00 0.00 0.00 0.00 61.98 61.43 2jvj s VAL 51 Cb -0.10 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 2jvj s VAL 51 CO -0.01 0.41 0.40 -0.76 0.00 0.00 0.00 175.10 175.14 2jvj s LEU 52 N 1.38 4.11 -0.04 3.92 1.43 0.33 0.23 118.68 130.04 2jvj s LEU 52 Ca 0.01 0.45 0.04 0.00 -1.03 0.00 0.00 54.13 53.59 2jvj s LEU 52 Cb -0.13 -2.49 -0.00 0.00 0.03 0.00 0.00 46.19 43.59 2jvj s LEU 52 CO -0.06 -0.12 -0.17 -0.22 0.23 0.00 0.00 176.35 176.01 2jvj s LEU 53 N 1.59 1.91 -0.12 1.79 1.98 0.47 0.60 118.68 126.89 2jvj s LEU 53 Ca 0.18 -0.35 -0.02 0.00 -2.89 0.00 0.00 54.13 51.05 2jvj s LEU 53 Cb -0.15 -0.96 -0.03 0.00 0.66 0.00 0.00 46.19 45.71 2jvj s LEU 53 CO 0.08 0.15 -0.06 -0.62 -1.89 0.00 0.00 176.35 174.01 2jvj s ASP 54 N 0.07 4.62 0.32 3.68 2.15 0.16 -1.38 116.67 126.29 2jvj s ASP 54 Ca -0.04 -0.13 0.17 0.00 0.43 0.00 0.00 52.55 52.98 2jvj s ASP 54 Cb -0.12 -1.56 0.14 0.00 -0.30 0.00 0.00 42.92 41.08 2jvj s ASP 54 CO 0.02 0.23 1.48 -0.03 -0.17 0.00 0.00 175.17 176.71 2jvj h MET 55 N 6.23 0.00 -0.41 4.34 1.85 -1.88 -3.22 114.93 121.84 2jvj h MET 55 Ca -0.36 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.73 2jvj h MET 55 Cb 1.19 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.22 2jvj h MET 55 CO 0.58 0.36 0.00 1.63 -0.40 0.00 0.00 176.91 179.08 2jvj n LYS 56 N -3.18 0.99 -2.58 0.39 5.02 -1.26 -4.09 118.16 113.45 2jvj n LYS 56 Ca 0.02 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.89 2jvj n LYS 56 Cb 0.68 -1.20 -0.02 0.00 -0.02 0.00 0.00 35.03 34.46 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 -1.59 4.54 -0.04 -0.18 -1.16 -1.22 -4.93 121.20 116.62 2jvj s ILE 57 Ca 0.00 1.85 -0.30 0.00 -0.51 0.00 0.00 60.65 61.69 2jvj s ILE 57 Cb 0.00 -4.19 -0.06 0.00 0.61 0.00 0.00 42.46 38.82 2jvj s ILE 57 CO 0.00 -0.10 1.63 -2.84 -2.81 0.00 0.00 174.94 170.82 2jvj s PRO 58 N 2.83 4.19 0.00 3.50 0.02 -1.26 -3.93 135.00 140.36 2jvj s PRO 58 Ca 0.49 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.69 2jvj s PRO 58 Cb -0.19 -3.93 0.00 0.00 0.02 0.00 0.00 34.50 30.40 2jvj s PRO 58 CO 0.13 -0.82 0.00 0.41 -0.33 0.00 0.00 177.00 176.40 2jvj n GLY 59 N 4.08 2.01 3.33 0.52 0.00 -1.26 -4.74 105.19 109.12 2jvj n GLY 59 Ca 0.17 -0.38 -0.17 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 1.35 -0.97 1.61 -1.94 -1.25 -5.07 119.30 113.03 2jvj s MET 60 Ca 0.00 -1.69 -0.24 0.00 -1.71 0.00 0.00 55.69 52.05 2jvj s MET 60 Cb 0.00 -0.57 0.03 0.00 2.01 0.00 0.00 34.83 36.30 2jvj s MET 60 CO 0.00 -0.13 1.56 -0.51 -0.01 0.00 0.00 175.02 175.93 2jvj s ASP 61 N -3.31 6.15 0.58 3.03 1.01 -1.26 -4.62 116.67 118.24 2jvj s ASP 61 Ca 0.30 -1.18 0.28 0.00 0.71 0.00 0.00 52.55 52.65 2jvj s ASP 61 Cb 0.06 -2.57 1.58 0.00 1.01 0.00 0.00 42.92 43.01 2jvj s ASP 61 CO 0.09 -1.83 2.07 1.23 0.21 0.00 0.00 175.17 176.95 2jvj h GLY 62 N 14.03 0.00 1.00 0.21 0.00 -1.71 -0.62 103.07 115.98 2jvj h GLY 62 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 2jvj h GLY 62 CO 1.37 0.00 0.36 1.19 0.00 0.00 0.00 176.54 179.46 2jvj h ILE 63 N 0.00 1.21 -0.47 2.60 6.09 -1.82 -0.03 117.51 125.09 2jvj h ILE 63 Ca 0.12 -0.54 -0.11 0.00 -1.37 0.00 0.00 64.86 62.95 2jvj h ILE 63 Cb 0.60 0.34 -0.01 0.00 0.47 0.00 0.00 36.82 38.22 2jvj h ILE 63 CO -0.00 0.24 -0.14 -0.33 -3.07 0.00 0.00 178.15 174.85 2jvj h GLU 64 N 0.92 0.92 -0.40 2.19 4.39 -1.52 0.19 114.58 121.28 2jvj h GLU 64 Ca 0.24 -0.36 0.00 0.00 0.34 0.00 0.00 59.36 59.58 2jvj h GLU 64 Cb 0.05 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 2jvj h GLU 64 CO -0.04 1.02 0.26 0.82 -1.16 0.00 0.00 179.01 179.91 2jvj h ILE 65 N 0.76 1.10 -0.75 3.13 5.03 -1.33 0.37 117.51 125.83 2jvj h ILE 65 Ca 0.12 -0.18 0.04 0.00 -0.12 0.00 0.00 64.86 64.71 2jvj h ILE 65 Cb 0.69 0.52 -0.05 0.00 -3.03 0.00 0.00 36.82 34.95 2jvj h ILE 65 CO 0.05 0.10 0.46 0.25 -0.68 0.00 0.00 178.15 178.33 2jvj h LEU 66 N 0.54 0.75 0.40 1.44 6.46 -0.68 0.16 115.31 124.38 2jvj h LEU 66 Ca 0.15 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.90 2jvj h LEU 66 Cb -0.06 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 39.72 2jvj h LEU 66 CO -0.03 0.51 -0.21 0.11 -0.62 0.00 0.00 178.44 178.19 2jvj h LYS 67 N 0.89 -0.55 -0.89 1.25 1.57 -0.40 -1.97 116.57 116.47 2jvj h LYS 67 Ca 0.31 0.04 0.08 0.00 -1.87 0.00 0.00 60.65 59.21 2jvj h LYS 67 Cb 0.07 0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.43 2jvj h LYS 67 CO -0.13 -0.37 0.55 -0.09 -0.57 0.00 0.00 179.45 178.84 2jvj h ARG 68 N -0.57 0.93 0.26 3.15 2.43 -0.48 0.63 114.38 120.73 2jvj h ARG 68 Ca -0.05 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 2jvj h ARG 68 Cb 0.45 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2jvj h ARG 68 CO 0.07 0.62 -0.12 0.52 -1.51 0.00 0.00 179.97 179.54 2jvj h MET 69 N 0.96 -0.34 0.00 0.20 2.86 -0.50 0.43 114.93 118.54 2jvj h MET 69 Ca 0.41 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 58.07 2jvj h MET 69 Cb 0.27 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.01 2jvj h MET 69 CO -0.21 -0.21 0.00 1.57 1.06 0.00 0.00 176.91 179.13 2jvj h LYS 70 N -0.37 0.00 0.07 1.72 2.10 -0.91 0.41 116.57 119.59 2jvj h LYS 70 Ca -0.04 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.34 2jvj h LYS 70 Cb 0.28 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.63 2jvj h LYS 70 CO 0.06 0.00 -1.14 0.28 -2.00 0.00 0.00 179.45 176.65 2jvj h VAL 71 N 0.00 1.33 -0.51 0.07 2.07 0.57 -2.16 116.25 117.61 2jvj h VAL 71 Ca 0.00 -2.48 -0.09 0.00 0.82 0.00 0.00 66.70 64.95 2jvj h VAL 71 Cb 0.21 2.60 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 2jvj h VAL 71 CO 0.00 0.75 -0.05 0.40 0.02 0.00 0.00 177.57 178.69 2jvj h ILE 72 N 0.27 1.27 0.00 4.57 1.08 0.20 -3.40 117.51 121.50 2jvj h ILE 72 Ca -0.15 -1.17 -0.04 0.00 -0.39 0.00 0.00 64.86 63.12 2jvj h ILE 72 Cb 1.81 0.98 -0.01 0.00 -3.07 0.00 0.00 36.82 36.54 2jvj h ILE 72 CO 0.21 0.41 -0.62 0.47 -0.69 0.00 0.00 178.15 177.93 2jvj n ASP 73 N -4.25 1.04 0.00 1.72 8.00 -0.88 -4.99 116.55 117.19 2jvj n ASP 73 Ca 0.01 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.66 2jvj n ASP 73 Cb 0.36 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2jvj n ASP 73 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2jvj n GLU 74 N -3.59 -0.16 -0.02 -1.24 1.02 -0.81 -4.75 120.64 111.09 2jvj n GLU 74 Ca -0.07 0.04 -0.02 0.00 -0.02 0.00 0.00 57.16 57.09 2jvj n GLU 74 Cb 0.28 -3.10 -0.03 0.00 -0.02 0.00 0.00 31.44 28.57 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 -0.08 3.97 -4.73 1.62 5.03 -1.26 -5.01 115.26 114.81 2jvj n ASN 75 Ca 0.00 -0.01 -0.42 0.00 0.87 0.00 0.00 54.58 55.02 2jvj n ASN 75 Cb 0.04 0.39 -0.02 0.00 -1.02 0.00 0.00 39.78 39.16 2jvj n ASN 75 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2jvj n ILE 76 N -2.28 0.42 -2.60 2.41 3.06 -1.26 -4.89 119.36 114.21 2jvj n ILE 76 Ca -0.07 -0.11 -0.41 0.00 -2.50 0.00 0.00 62.75 59.67 2jvj n ILE 76 Cb 0.61 -1.95 -0.03 0.00 0.54 0.00 0.00 39.64 38.81 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 0.46 3.36 -0.43 9.51 1.81 -0.84 -4.86 118.95 127.96 2jvj s ARG 77 Ca 0.71 -0.71 -0.22 0.00 -1.72 0.00 0.00 55.73 53.78 2jvj s ARG 77 Cb -0.51 -4.68 0.02 0.00 -0.45 0.00 0.00 34.95 29.33 2jvj s ARG 77 CO 0.39 -2.13 0.75 0.14 -0.68 0.00 0.00 175.30 173.78 2jvj s VAL 78 N 5.14 4.71 -0.09 3.52 -7.23 -1.26 0.13 120.40 125.32 2jvj s VAL 78 Ca 0.38 0.44 -0.02 0.00 -1.81 0.00 0.00 61.98 60.98 2jvj s VAL 78 Cb -0.05 -4.27 -0.03 0.00 0.56 0.00 0.00 36.38 32.58 2jvj s VAL 78 CO 0.04 -0.63 -0.02 -0.63 -0.31 0.00 0.00 175.10 173.54 2jvj s ILE 79 N 3.14 4.12 -0.23 -0.62 -1.09 0.13 0.53 121.20 127.18 2jvj s ILE 79 Ca 0.28 -0.31 -0.05 0.00 -2.23 0.00 0.00 60.65 58.34 2jvj s ILE 79 Cb -0.13 -2.73 -0.01 0.00 -1.58 0.00 0.00 42.46 38.01 2jvj s ILE 79 CO 0.21 0.59 -0.00 -0.51 -1.23 0.00 0.00 174.94 173.99 2jvj s ILE 80 N -0.68 3.67 -0.89 2.92 2.07 -0.04 -0.39 121.20 127.86 2jvj s ILE 80 Ca 0.11 -0.42 0.15 0.00 -1.41 0.00 0.00 60.65 59.07 2jvj s ILE 80 Cb -0.12 -2.70 0.47 0.00 0.13 0.00 0.00 42.46 40.25 2jvj s ILE 80 CO 0.02 0.38 1.40 1.15 -1.91 0.00 0.00 174.94 175.97 2jvj n MET 81 N 4.84 3.06 0.00 3.50 0.00 -0.48 -2.07 117.12 125.96 2jvj n MET 81 Ca -0.17 -2.46 0.00 0.00 0.00 0.00 0.00 57.70 55.07 2jvj n MET 81 Cb 0.51 -1.56 0.00 0.00 0.00 0.00 0.00 33.22 32.17 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 0.51 0.00 -1.47 3.17 5.66 -1.24 -4.21 114.28 116.70 2jvj n THR 82 Ca 0.18 0.00 -0.44 0.00 -3.05 0.00 0.00 64.05 60.74 2jvj n THR 82 Cb 0.65 -1.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.33 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 0.60 0.80 1.79 0.00 -1.26 -2.95 120.51 116.49 2jvj n ALA 83 Ca 0.00 -0.34 0.05 0.00 0.00 0.00 0.00 53.44 53.15 2jvj n ALA 83 Cb 0.00 -2.55 0.29 0.00 0.00 0.00 0.00 19.45 17.19 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 11.39 0.00 1.29 0.00 4.11 -1.26 -1.18 117.16 131.51 2jvj n TYR 84 Ca 0.52 0.00 0.06 0.00 -0.00 0.00 0.00 57.90 58.47 2jvj n TYR 84 Cb 0.20 0.00 0.20 0.00 -0.00 0.00 0.00 39.34 39.74 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 -0.18 0.07 0.72 -7.48 0.00 -1.26 -3.99 105.19 93.08 2jvj n GLY 85 Ca 0.07 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 45.92 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 0.15 1.95 0.04 1.61 4.71 -0.32 -2.01 120.64 126.76 2jvj n GLU 86 Ca 0.10 -1.43 0.08 0.00 -0.01 0.00 0.00 57.16 55.90 2jvj n GLU 86 Cb 0.22 -1.42 0.35 0.00 -1.01 0.00 0.00 31.44 29.58 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 0.66 0.18 0.00 -4.62 -0.00 -1.26 -0.22 117.00 111.75 2jvj n LEU 87 Ca 0.17 0.55 0.00 0.00 -0.00 0.00 0.00 56.01 56.72 2jvj n LEU 87 Cb 0.41 -0.52 0.00 0.00 -0.00 0.00 0.00 43.42 43.31 2jvj n LEU 87 CO 0.14 -0.34 0.00 -0.67 -0.00 0.00 0.00 177.39 176.51 2jvj n ASP 88 N -1.70 0.00 0.04 1.45 -0.08 -0.85 -4.43 116.55 110.98 2jvj n ASP 88 Ca 0.03 0.29 -0.10 0.00 -1.51 0.00 0.00 54.79 53.51 2jvj n ASP 88 Cb 0.18 -0.49 -0.07 0.00 2.34 0.00 0.00 41.12 43.08 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 0.00 -0.19 -0.18 -0.67 4.05 -1.62 -2.84 114.93 113.48 2jvj h MET 89 Ca 0.00 0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.37 2jvj h MET 89 Cb 0.00 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.83 2jvj h MET 89 CO 0.00 0.22 -0.16 0.00 0.23 0.00 0.00 176.91 177.19 2jvj h ALA 90 N -0.44 1.39 0.34 0.39 0.00 -0.91 0.30 119.26 120.34 2jvj h ALA 90 Ca -0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2jvj h ALA 90 Cb 0.50 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2jvj h ALA 90 CO 0.03 0.42 -0.16 0.37 0.00 0.00 0.00 179.25 179.91 2jvj h GLN 91 N 0.28 -0.44 0.00 0.00 5.75 -1.20 -3.31 115.11 116.19 2jvj h GLN 91 Ca 0.05 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.58 2jvj h GLN 91 Cb 0.46 0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.11 2jvj h GLN 91 CO 0.03 -0.18 0.00 0.93 -2.65 0.00 0.00 178.83 176.96 2jvj h GLU 92 N -1.04 0.00 -0.69 1.69 5.08 -1.42 -3.19 114.58 115.02 2jvj h GLU 92 Ca -0.05 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.48 2jvj h GLU 92 Cb 0.47 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 2jvj h GLU 92 CO 0.08 0.00 0.48 1.03 -1.00 0.00 0.00 179.01 179.59 2jvj h SER 93 N 0.00 0.19 0.00 1.42 0.87 -0.49 -3.44 113.55 112.10 2jvj h SER 93 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2jvj h SER 93 Cb 0.60 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 2jvj h SER 93 CO 0.00 0.09 0.00 1.17 -0.53 0.00 0.00 176.83 177.56 2jvj n LYS 94 N -4.41 0.00 0.00 2.24 3.00 -1.20 -5.09 118.16 112.69 2jvj n LYS 94 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 2jvj n LYS 94 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.65 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 -0.18 0.00 0.12 1.64 4.07 -1.25 -4.93 120.64 120.10 2jvj n GLU 95 Ca 0.00 0.00 0.07 0.00 -0.06 0.00 0.00 57.16 57.17 2jvj n GLU 95 Cb 0.00 0.00 0.02 0.00 -0.06 0.00 0.00 31.44 31.40 2jvj n GLU 95 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2jvj h LEU 96 N 0.00 0.00 0.00 4.31 5.85 -1.86 -3.46 115.31 120.15 2jvj h LEU 96 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2jvj h LEU 96 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2jvj h LEU 96 CO 0.00 0.27 0.00 0.61 -0.34 0.00 0.00 178.44 178.98 2jvj n GLY 97 N 1.23 1.24 0.00 3.75 0.00 -1.24 -4.75 105.19 105.42 2jvj n GLY 97 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 0.00 -1.48 4.61 0.00 -1.26 -4.43 120.51 117.95 2jvj n ALA 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jvj n ALA 98 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 -4.81 0.00 4.77 0.19 -5.01 117.00 112.13 2jvj n LEU 99 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 2jvj n LEU 99 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 2jvj n LEU 99 CO 0.00 0.00 0.48 -0.89 -1.33 0.00 0.00 177.39 175.65 2jvj s THR 100 N 0.76 4.49 0.11 -5.08 2.01 -1.26 -4.87 115.64 111.80 2jvj s THR 100 Ca 0.00 1.38 0.04 0.00 0.31 0.00 0.00 61.69 63.42 2jvj s THR 100 Cb 0.00 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 2jvj s THR 100 CO 0.00 0.12 -0.10 -1.38 -0.69 0.00 0.00 174.62 172.57 2jvj s HIS 101 N -1.63 1.14 0.00 4.92 -3.43 -1.25 -0.86 115.29 114.19 2jvj s HIS 101 Ca 0.47 -0.69 0.00 0.00 -0.80 0.00 0.00 55.06 54.04 2jvj s HIS 101 Cb -0.16 -0.61 0.00 0.00 -1.43 0.00 0.00 32.58 30.38 2jvj s HIS 101 CO 0.21 0.03 0.00 0.34 -2.00 0.00 0.00 174.74 173.32 2jvj n PHE 102 N 0.32 0.00 -1.07 0.38 7.35 -0.88 -4.95 117.46 118.61 2jvj n PHE 102 Ca -0.14 0.00 -0.25 0.00 -0.76 0.00 0.00 57.45 56.30 2jvj n PHE 102 Cb 0.59 0.00 0.13 0.00 0.35 0.00 0.00 39.48 40.54 2jvj n PHE 102 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2jvj n ALA 103 N 0.00 5.55 -2.45 3.13 0.00 -1.15 -3.94 120.51 121.65 2jvj n ALA 103 Ca 0.00 -2.75 -0.12 0.00 0.00 0.00 0.00 53.44 50.57 2jvj n ALA 103 Cb 0.00 -1.50 -0.11 0.00 0.00 0.00 0.00 19.45 17.84 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 -3.09 0.72 -0.48 0.00 1.02 -1.26 -4.93 119.74 111.71 2jvj s LYS 104 Ca 0.53 -1.10 -0.26 0.00 0.02 0.00 0.00 55.97 55.15 2jvj s LYS 104 Cb 0.43 -0.26 -0.06 0.00 -0.52 0.00 0.00 37.83 37.43 2jvj s LYS 104 CO 0.06 0.01 2.29 -1.25 -0.92 0.00 0.00 175.35 175.54 2jvj s PRO 105 N -2.91 2.30 0.00 -1.68 0.04 -1.26 -4.79 135.00 126.70 2jvj s PRO 105 Ca 0.03 1.33 0.25 0.00 0.04 0.00 0.00 61.00 62.66 2jvj s PRO 105 Cb -0.01 -4.53 0.56 0.00 0.04 0.00 0.00 34.50 30.56 2jvj s PRO 105 CO -0.03 -3.06 1.44 1.97 0.04 0.00 0.00 177.00 177.37 2jvj n PHE 106 N 14.93 0.00 -0.80 0.56 1.16 -1.26 -5.06 117.46 126.98 2jvj n PHE 106 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.91 2jvj n PHE 106 Cb 0.53 -0.12 0.00 0.00 -1.61 0.00 0.00 39.48 38.28 2jvj n PHE 106 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 2jvj n ASP 107 N -0.76 -4.85 0.25 5.98 8.00 -1.26 -3.79 116.55 120.11 2jvj n ASP 107 Ca 0.10 0.63 0.17 0.00 0.71 0.00 0.00 54.79 56.40 2jvj n ASP 107 Cb 0.36 -1.93 0.79 0.00 -0.02 0.00 0.00 41.12 40.33 2jvj n ASP 107 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 2jvj h ILE 108 N 0.84 0.15 -0.54 0.53 -2.65 -1.99 0.15 117.51 113.99 2jvj h ILE 108 Ca 0.00 0.00 0.08 0.00 1.03 0.00 0.00 64.86 65.97 2jvj h ILE 108 Cb 0.00 0.67 -0.07 0.00 -2.05 0.00 0.00 36.82 35.37 2jvj h ILE 108 CO 0.00 0.00 0.18 -0.78 0.03 0.00 0.00 178.15 177.58 2jvj h ASP 109 N 0.00 0.17 0.25 2.16 1.82 -2.00 0.01 116.42 118.83 2jvj h ASP 109 Ca 0.07 0.07 -0.03 0.00 -0.39 0.00 0.00 57.03 56.75 2jvj h ASP 109 Cb 0.80 0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.87 2jvj h ASP 109 CO -0.00 0.11 -0.14 -0.33 -1.61 0.00 0.00 179.24 177.27 2jvj h GLU 110 N 0.36 0.00 0.14 0.28 4.39 -1.05 -0.14 114.58 118.55 2jvj h GLU 110 Ca 0.27 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.66 2jvj h GLU 110 Cb 0.32 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2jvj h GLU 110 CO -0.28 0.14 -1.50 0.97 -1.16 0.00 0.00 179.01 177.18 2jvj h ILE 111 N 0.00 1.20 -0.11 3.13 6.09 -1.12 0.43 117.51 127.13 2jvj h ILE 111 Ca -0.00 -2.81 -0.16 0.00 -1.37 0.00 0.00 64.86 60.51 2jvj h ILE 111 Cb 0.31 2.81 -0.01 0.00 0.47 0.00 0.00 36.82 40.40 2jvj h ILE 111 CO 0.02 0.83 -0.63 0.08 -3.07 0.00 0.00 178.15 175.39 2jvj h ARG 112 N 0.08 0.41 -0.07 2.19 0.11 -1.00 -0.55 114.38 115.55 2jvj h ARG 112 Ca -0.23 -0.29 -0.15 0.00 0.10 0.00 0.00 59.98 59.41 2jvj h ARG 112 Cb 2.03 0.05 -0.01 0.00 1.11 0.00 0.00 29.97 33.14 2jvj h ARG 112 CO 0.18 0.91 -0.62 0.22 0.10 0.00 0.00 179.97 180.75 2jvj h ASP 113 N 0.30 0.28 -0.22 0.08 1.82 -1.06 -1.99 116.42 115.64 2jvj h ASP 113 Ca -0.01 -0.17 -0.02 0.00 -0.39 0.00 0.00 57.03 56.44 2jvj h ASP 113 Cb 1.17 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 41.08 2jvj h ASP 113 CO 0.11 0.83 0.08 0.00 -1.61 0.00 0.00 179.24 178.65 2jvj h ALA 114 N 1.17 1.61 -0.26 -0.78 0.00 0.22 0.67 119.26 121.88 2jvj h ALA 114 Ca -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2jvj h ALA 114 Cb 1.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2jvj h ALA 114 CO 0.10 0.30 0.13 0.28 0.00 0.00 0.00 179.25 180.06 2jvj h VAL 115 N 0.40 1.14 0.00 0.00 2.07 -0.63 0.68 116.25 119.91 2jvj h VAL 115 Ca 0.10 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2jvj h VAL 115 Cb 0.15 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2jvj h VAL 115 CO -0.01 0.14 0.00 1.17 0.02 0.00 0.00 177.57 178.90 2jvj n LYS 116 N -4.82 0.16 -0.04 1.57 3.00 -0.20 -3.59 118.16 114.25 2jvj n LYS 116 Ca -0.02 0.42 -0.01 0.00 -0.00 0.00 0.00 58.31 58.69 2jvj n LYS 116 Cb 0.10 -1.83 -0.00 0.00 0.00 0.00 0.00 35.03 33.29 2jvj n LYS 116 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 2jvj h LYS 117 N 0.00 0.00 0.00 1.64 1.57 0.13 -3.48 116.57 116.43 2jvj h LYS 117 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jvj h LYS 117 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2jvj h LYS 117 CO 0.00 0.00 0.00 2.48 -0.57 0.00 0.00 179.45 181.36 2jvj n TYR 118 N -3.70 0.00 0.19 -1.35 4.11 0.14 -4.70 117.16 111.85 2jvj n TYR 118 Ca -0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.76 2jvj n TYR 118 Cb 0.08 0.06 -0.07 0.00 -0.00 0.00 0.00 39.34 39.41 2jvj n TYR 118 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.86 176.79 2jvj h LEU 119 N 0.00 -0.45 0.00 -3.48 3.38 -1.55 -3.41 115.31 109.81 2jvj h LEU 119 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2jvj h LEU 119 Cb 0.58 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2jvj h LEU 119 CO 0.00 -0.03 -0.34 -0.81 0.09 0.00 0.00 178.44 177.35 2jvj n PRO 120 N -5.16 0.30 -1.70 1.13 -0.04 -1.26 -4.97 135.00 123.30 2jvj n PRO 120 Ca -0.09 0.43 -0.40 0.00 -0.04 0.00 0.00 63.50 63.40 2jvj n PRO 120 Cb 0.28 -1.38 0.03 0.00 -0.04 0.00 0.00 33.50 32.39 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 -3.83 4.38 0.00 1.53 7.99 -1.26 -5.02 117.00 120.79 2jvj n LEU 121 Ca -0.05 1.03 0.00 0.00 -0.01 0.00 0.00 56.01 56.98 2jvj n LEU 121 Cb 0.18 -1.50 0.00 0.00 -0.11 0.00 0.00 43.42 41.98 2jvj n LEU 121 CO 0.07 -0.82 0.00 2.29 -1.51 0.00 0.00 177.39 177.42 2jvj n LYS 122 N -0.40 1.57 0.00 3.23 2.85 -1.26 -3.93 118.16 120.22 2jvj n LYS 122 Ca 0.09 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.35 2jvj n LYS 122 Cb 0.42 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.80 2jvj n LYS 122 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2jvj n SER 123 N 0.00 1.29 -4.56 -5.58 2.88 -1.26 -4.62 113.62 101.77 2jvj n SER 123 Ca 0.00 -0.19 -0.42 0.00 -1.33 0.00 0.00 58.87 56.93 2jvj n SER 123 Cb 0.00 0.63 -0.03 0.00 -0.75 0.00 0.00 64.21 64.06 2jvj n SER 123 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2jvj s ASN 124 N -0.89 6.33 -0.19 -3.46 2.47 -1.26 -3.98 114.94 113.97 2jvj s ASN 124 Ca 0.00 -0.15 -0.06 0.00 0.42 0.00 0.00 52.86 53.06 2jvj s ASN 124 Cb 0.00 -2.54 0.01 0.00 -1.45 0.00 0.00 41.25 37.27 2jvj s ASN 124 CO 0.00 -1.58 0.23 0.18 -3.72 0.00 0.00 177.10 172.21 2jvj n LEU 125 N 8.65 -4.71 -0.12 3.21 4.77 -1.26 -4.97 117.00 122.57 2jvj n LEU 125 Ca 0.06 0.31 -0.12 0.00 -0.03 0.00 0.00 56.01 56.22 2jvj n LEU 125 Cb 0.49 -2.09 -0.02 0.00 -2.33 0.00 0.00 43.42 39.47 2jvj n LEU 125 CO 0.70 -1.13 0.62 1.05 -1.33 0.00 0.00 177.39 177.30 2jvj h GLU 126 N 0.98 0.83 0.00 3.23 -0.00 -1.90 -3.43 114.58 114.28 2jvj h GLU 126 Ca 0.00 -0.39 0.00 0.00 -0.00 0.00 0.00 59.36 58.97 2jvj h GLU 126 Cb 0.38 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.13 2jvj h GLU 126 CO 0.08 1.03 0.00 0.72 -0.00 0.00 0.00 179.01 180.84 2jvj n HIS 127 N -4.21 -0.31 -2.68 2.06 8.25 -1.26 -5.12 115.22 111.95 2jvj n HIS 127 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2jvj n HIS 127 Cb 0.46 0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.80 2jvj n HIS 127 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jvj n HIS 128 N -1.96 -0.03 0.00 4.41 8.25 -1.26 -5.02 115.22 119.61 2jvj n HIS 128 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2jvj n HIS 128 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2jvj n HIS 128 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jvj n HIS 129 N 0.00 -0.38 -1.59 4.41 -0.00 -1.26 -4.54 115.22 111.86 2jvj n HIS 129 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2jvj n HIS 129 Cb 0.00 0.08 0.00 0.00 -0.12 0.00 0.00 29.99 29.95 2jvj n HIS 129 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2jvj n HIS 130 N -1.69 0.00 -3.58 1.57 1.44 -1.26 -5.08 115.22 106.62 2jvj n HIS 130 Ca 0.00 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.30 2jvj n HIS 130 Cb 0.00 0.05 -0.10 0.00 0.12 0.00 0.00 29.99 30.06 2jvj n HIS 130 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2jvj s HIS 131 N 0.00 3.29 -2.18 -1.40 5.65 -1.26 -5.32 115.29 114.07 2jvj s HIS 131 Ca 0.00 -1.27 0.31 0.00 0.25 0.00 0.00 55.06 54.35 2jvj s HIS 131 Cb 0.00 -2.80 1.60 0.00 -1.18 0.00 0.00 32.58 30.20 2jvj s HIS 131 CO 0.00 -0.78 2.05 -2.39 -0.65 0.00 0.00 174.74 172.98