#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jvw n ALA 2 N 0.00 -0.26 -2.57 -5.12 0.00 -1.26 -4.96 120.51 106.35 2jvw n ALA 2 Ca 0.00 0.28 -0.42 0.00 0.00 0.00 0.00 53.44 53.30 2jvw n ALA 2 Cb 0.00 -1.82 -0.07 0.00 0.00 0.00 0.00 19.45 17.56 2jvw n ALA 2 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jvw s LEU 3 N -3.90 4.27 -0.21 0.00 1.43 -1.26 -5.02 118.68 114.00 2jvw s LEU 3 Ca 0.00 0.10 -0.27 0.00 -1.03 0.00 0.00 54.13 52.93 2jvw s LEU 3 Cb 0.00 -2.79 0.08 0.00 0.03 0.00 0.00 46.19 43.52 2jvw s LEU 3 CO 0.00 -0.62 0.79 -0.51 0.23 0.00 0.00 176.35 176.25 2jvw s ILE 4 N 2.73 0.00 -0.94 -0.59 2.07 -1.26 -5.09 121.20 118.12 2jvw s ILE 4 Ca 0.24 0.00 -0.24 0.00 -1.41 0.00 0.00 60.65 59.24 2jvw s ILE 4 Cb -0.14 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.43 2jvw s ILE 4 CO 0.15 0.00 1.78 -0.32 -1.91 0.00 0.00 174.94 174.64 2jvw s MET 5 N -0.15 2.91 -0.34 3.50 -2.45 -1.26 -4.95 119.30 116.56 2jvw s MET 5 Ca -0.02 -0.56 -0.17 0.00 -1.25 0.00 0.00 55.69 53.69 2jvw s MET 5 Cb -0.03 -5.15 -0.01 0.00 1.25 0.00 0.00 34.83 30.88 2jvw s MET 5 CO 0.02 -2.97 0.45 0.99 1.05 0.00 0.00 175.02 174.55 2jvw s THR 6 N 8.34 5.08 -0.20 10.11 2.01 -1.26 -5.06 115.64 134.67 2jvw s THR 6 Ca 0.62 0.25 -0.05 0.00 0.31 0.00 0.00 61.69 62.82 2jvw s THR 6 Cb -0.04 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.55 2jvw s THR 6 CO -0.04 -0.14 0.01 -1.10 -0.69 0.00 0.00 174.62 172.66 2jvw s GLN 7 N 2.23 3.65 -1.25 4.92 -0.21 -1.26 -5.04 119.66 122.70 2jvw s GLN 7 Ca 0.16 -0.50 -0.20 0.00 0.02 0.00 0.00 55.36 54.84 2jvw s GLN 7 Cb -0.16 -3.09 -0.00 0.00 1.00 0.00 0.00 33.01 30.76 2jvw s GLN 7 CO 0.12 0.04 1.84 1.04 -2.12 0.00 0.00 175.29 176.22 2jvw n GLN 8 N 4.16 2.52 0.28 2.91 3.00 -1.26 -4.73 117.38 124.26 2jvw n GLN 8 Ca -0.17 -2.89 -0.11 0.00 -0.01 0.00 0.00 57.00 53.81 2jvw n GLN 8 Cb 0.52 -3.56 -0.05 0.00 0.00 0.00 0.00 30.24 27.14 2jvw n GLN 8 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 2jvw h ASN 9 N 8.33 -0.63 -6.10 1.08 4.21 -2.01 -3.49 115.58 116.97 2jvw h ASN 9 Ca 0.37 0.02 -0.26 0.00 1.21 0.00 0.00 56.30 57.64 2jvw h ASN 9 Cb 0.88 0.16 0.01 0.00 -1.12 0.00 0.00 38.32 38.25 2jvw h ASN 9 CO 1.41 -0.31 -0.78 -3.20 -1.29 0.00 0.00 177.43 173.25 2jvw n ASN 10 N -4.77 -6.30 0.15 5.81 4.05 -1.26 -4.86 115.26 108.08 2jvw n ASN 10 Ca -0.09 -0.23 0.12 0.00 0.45 0.00 0.00 54.58 54.83 2jvw n ASN 10 Cb 0.29 -3.20 0.55 0.00 1.23 0.00 0.00 39.78 38.65 2jvw n ASN 10 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 2jvw h PRO 11 N 1.04 0.00 -0.73 1.20 0.13 -2.02 -2.12 132.00 129.50 2jvw h PRO 11 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2jvw h PRO 11 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2jvw h PRO 11 CO 0.28 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.33 2jvw n LEU 12 N -2.33 3.74 0.00 1.56 7.99 -1.26 -4.42 117.00 122.28 2jvw n LEU 12 Ca 0.01 -1.89 0.11 0.00 -0.01 0.00 0.00 56.01 54.22 2jvw n LEU 12 Cb 0.18 -0.59 0.61 0.00 -0.11 0.00 0.00 43.42 43.52 2jvw n LEU 12 CO 0.18 0.48 0.83 1.57 -1.51 0.00 0.00 177.39 178.94 2jvw n HIS 13 N 0.40 0.00 1.83 -1.77 -0.00 -0.80 -3.19 115.22 111.69 2jvw n HIS 13 Ca 0.16 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.37 2jvw n HIS 13 Cb 0.79 -0.06 0.12 0.00 -0.12 0.00 0.00 29.99 30.72 2jvw n HIS 13 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2jvw n GLY 14 N 0.37 -0.91 3.73 1.57 0.00 -1.26 -4.88 105.19 103.80 2jvw n GLY 14 Ca 0.15 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2jvw n GLY 14 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jvw s ILE 15 N -2.00 2.24 0.71 -0.61 1.01 -1.19 -5.01 121.20 116.34 2jvw s ILE 15 Ca 0.06 0.17 -0.11 0.00 0.00 0.00 0.00 60.65 60.77 2jvw s ILE 15 Cb 0.03 -3.11 0.02 0.00 0.01 0.00 0.00 42.46 39.41 2jvw s ILE 15 CO 0.05 0.02 1.10 0.42 0.00 0.00 0.00 174.94 176.52 2jvw s THR 16 N 0.93 3.39 0.42 2.92 -4.23 -1.26 -4.79 115.64 113.01 2jvw s THR 16 Ca 0.71 0.44 0.11 0.00 -1.18 0.00 0.00 61.69 61.77 2jvw s THR 16 Cb -0.47 -3.44 0.31 0.00 1.34 0.00 0.00 72.50 70.23 2jvw s THR 16 CO 0.35 -0.58 2.00 0.25 -0.54 0.00 0.00 174.62 176.10 2jvw h LEU 17 N -0.67 0.41 0.48 4.79 5.85 -1.97 0.33 115.31 124.52 2jvw h LEU 17 Ca -0.45 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.25 2jvw h LEU 17 Cb 1.26 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2jvw h LEU 17 CO 0.64 0.26 -0.23 -0.61 -0.34 0.00 0.00 178.44 178.16 2jvw h GLN 18 N 0.47 -0.62 -0.15 1.25 4.15 -1.99 0.33 115.11 118.55 2jvw h GLN 18 Ca 0.24 0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.61 2jvw h GLN 18 Cb 0.35 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 2jvw h GLN 18 CO -0.07 -0.37 -0.34 -0.22 -1.93 0.00 0.00 178.83 175.91 2jvw h LYS 19 N -0.73 0.30 0.49 1.69 1.63 -1.85 -2.44 116.57 115.67 2jvw h LYS 19 Ca -0.07 -0.12 -0.02 0.00 -0.85 0.00 0.00 60.65 59.59 2jvw h LYS 19 Cb 0.53 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.14 2jvw h LYS 19 CO 0.11 0.60 -0.33 1.25 -3.45 0.00 0.00 179.45 177.63 2jvw h LEU 20 N 0.26 -0.84 -1.07 5.20 6.46 -0.19 -1.31 115.31 123.82 2jvw h LEU 20 Ca 0.03 0.05 0.05 0.00 -0.12 0.00 0.00 57.88 57.90 2jvw h LEU 20 Cb 0.72 0.26 -0.06 0.00 -0.73 0.00 0.00 40.66 40.85 2jvw h LEU 20 CO 0.05 -0.51 0.62 0.25 -0.62 0.00 0.00 178.44 178.24 2jvw h LEU 21 N -0.79 1.01 -0.25 2.25 5.85 -0.91 -2.47 115.31 120.00 2jvw h LEU 21 Ca -0.05 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.70 2jvw h LEU 21 Cb 0.66 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 2jvw h LEU 21 CO 0.04 0.67 0.02 0.74 -0.34 0.00 0.00 178.44 179.57 2jvw h THR 22 N 1.15 0.85 -0.92 1.05 2.02 -1.08 -0.07 112.91 115.91 2jvw h THR 22 Ca 0.40 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 67.55 2jvw h THR 22 Cb 0.10 0.73 -0.05 0.00 -1.74 0.00 0.00 68.15 67.20 2jvw h THR 22 CO -0.14 0.02 0.61 -0.33 0.37 0.00 0.00 175.52 176.05 2jvw h GLU 23 N 0.11 1.21 -0.33 6.66 4.39 -0.81 -0.67 114.58 125.14 2jvw h GLU 23 Ca 0.12 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.70 2jvw h GLU 23 Cb 0.14 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 2jvw h GLU 23 CO -0.18 0.81 0.03 -0.07 -1.16 0.00 0.00 179.01 178.44 2jvw h LEU 24 N 1.25 0.54 -0.22 1.33 3.38 -1.05 -1.12 115.31 119.42 2jvw h LEU 24 Ca 0.34 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2jvw h LEU 24 Cb -0.14 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 2jvw h LEU 24 CO -0.07 0.68 0.09 0.58 0.09 0.00 0.00 178.44 179.81 2jvw h VAL 25 N 0.37 1.16 -0.43 1.22 2.07 -0.71 0.11 116.25 120.05 2jvw h VAL 25 Ca 0.10 -0.50 -0.12 0.00 0.82 0.00 0.00 66.70 67.00 2jvw h VAL 25 Cb 0.39 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2jvw h VAL 25 CO 0.01 0.16 -0.21 -0.33 0.02 0.00 0.00 177.57 177.22 2jvw h GLU 26 N 0.20 0.90 0.00 1.57 4.39 -1.13 -2.46 114.58 118.04 2jvw h GLU 26 Ca 0.07 -0.39 -0.17 0.00 0.34 0.00 0.00 59.36 59.21 2jvw h GLU 26 Cb 0.17 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 2jvw h GLU 26 CO -0.01 1.05 -1.18 1.25 -1.16 0.00 0.00 179.01 178.96 2jvw h HIS 27 N 0.73 0.00 0.00 4.33 2.76 -1.20 -3.43 115.15 118.34 2jvw h HIS 27 Ca 0.10 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 2jvw h HIS 27 Cb 0.78 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.74 2jvw h HIS 27 CO 0.06 0.65 0.00 0.66 -1.30 0.00 0.00 177.93 177.99 2jvw n TYR 28 N -3.03 0.00 0.00 5.26 4.01 0.35 -5.07 117.16 118.67 2jvw n TYR 28 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 2jvw n TYR 28 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.88 2jvw n TYR 28 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jvw n GLY 29 N 2.92 4.34 0.24 2.72 0.00 -0.93 -4.81 105.19 109.67 2jvw n GLY 29 Ca 0.00 -1.36 -0.08 0.00 0.00 0.00 0.00 46.02 44.58 2jvw n GLY 29 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2jvw h TRP 30 N 0.00 -0.50 0.00 1.61 4.06 -1.87 0.09 115.95 119.34 2jvw h TRP 30 Ca 0.00 0.03 -0.05 0.00 2.06 0.00 0.00 58.89 60.93 2jvw h TRP 30 Cb 0.00 0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 28.41 2jvw h TRP 30 CO 0.00 -0.27 -0.23 0.93 -3.56 0.00 0.00 178.44 175.31 2jvw h GLU 31 N -0.21 0.00 -0.33 0.49 5.08 -1.92 0.25 114.58 117.95 2jvw h GLU 31 Ca 0.13 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 2jvw h GLU 31 Cb 0.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2jvw h GLU 31 CO -0.33 0.23 -0.11 0.93 -1.00 0.00 0.00 179.01 178.72 2jvw h GLU 32 N 0.00 0.65 0.00 2.33 4.39 -1.66 -2.62 114.58 117.68 2jvw h GLU 32 Ca -0.00 -0.27 -0.07 0.00 0.34 0.00 0.00 59.36 59.36 2jvw h GLU 32 Cb 0.41 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 2jvw h GLU 32 CO 0.03 0.85 -0.35 -0.07 -1.16 0.00 0.00 179.01 178.31 2jvw h LEU 33 N 0.42 0.00 -1.65 1.33 3.38 -0.17 -1.70 115.31 116.93 2jvw h LEU 33 Ca 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2jvw h LEU 33 Cb 0.63 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 2jvw h LEU 33 CO 0.04 0.35 -0.16 -1.28 0.09 0.00 0.00 178.44 177.48 2jvw h SER 34 N 0.00 0.00 0.65 -0.43 0.87 -0.39 0.29 113.55 114.54 2jvw h SER 34 Ca -0.00 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.29 2jvw h SER 34 Cb 0.61 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.56 2jvw h SER 34 CO 0.04 0.16 -1.34 0.22 -0.53 0.00 0.00 176.83 175.39 2jvw h TYR 35 N 0.00 0.28 0.04 2.24 3.20 -0.95 -3.33 116.97 118.45 2jvw h TYR 35 Ca -0.00 -0.21 -0.22 0.00 3.14 0.00 0.00 58.73 61.44 2jvw h TYR 35 Cb 0.47 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 2jvw h TYR 35 CO 0.00 1.21 -1.02 0.52 -1.64 0.00 0.00 178.16 177.23 2jvw h MET 36 N 0.04 0.17 -4.29 1.82 2.86 -0.95 -3.42 114.93 111.15 2jvw h MET 36 Ca -0.16 -0.24 -0.59 0.00 -2.06 0.00 0.00 59.70 56.65 2jvw h MET 36 Cb 1.94 0.08 -0.38 0.00 0.06 0.00 0.00 31.60 33.30 2jvw h MET 36 CO 0.15 1.05 -0.79 0.08 1.06 0.00 0.00 176.91 178.46 2jvw s VAL 37 N -2.91 1.40 -1.02 -2.22 1.01 0.97 -4.96 120.40 112.67 2jvw s VAL 37 Ca -0.02 -1.03 -0.20 0.00 0.00 0.00 0.00 61.98 60.72 2jvw s VAL 37 Cb 0.09 -1.64 -0.09 0.00 0.00 0.00 0.00 36.38 34.75 2jvw s VAL 37 CO 0.84 -0.02 1.97 -3.20 0.00 0.00 0.00 175.10 174.69 2jvw n ASN 38 N 4.74 3.08 -3.90 3.32 5.15 -1.25 -4.33 115.26 122.06 2jvw n ASN 38 Ca -0.12 -2.73 -0.11 0.00 -0.60 0.00 0.00 54.58 51.01 2jvw n ASN 38 Cb 0.45 -1.39 -0.12 0.00 -0.53 0.00 0.00 39.78 38.19 2jvw n ASN 38 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2jvw s ILE 39 N 5.71 0.04 -0.38 -1.44 -4.36 -1.26 -5.04 121.20 114.48 2jvw s ILE 39 Ca 0.57 -0.36 0.24 0.00 -0.26 0.00 0.00 60.65 60.84 2jvw s ILE 39 Cb 0.11 -0.16 0.25 0.00 1.25 0.00 0.00 42.46 43.91 2jvw s ILE 39 CO 0.08 -0.20 1.72 -1.13 0.24 0.00 0.00 174.94 175.65 2jvw h ASN 40 N 5.46 0.00 -0.93 4.36 -1.24 -1.94 -3.13 115.58 118.16 2jvw h ASN 40 Ca -0.27 0.00 0.21 0.00 0.71 0.00 0.00 56.30 56.94 2jvw h ASN 40 Cb 1.21 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 40.19 2jvw h ASN 40 CO 0.46 0.00 0.61 0.00 -1.29 0.00 0.00 177.43 177.20 2jvw n PHE 42 N -4.54 0.35 -0.04 0.00 3.72 -1.18 -3.77 117.46 112.01 2jvw n PHE 42 Ca 0.20 0.10 -0.14 0.00 -0.05 0.00 0.00 57.45 57.57 2jvw n PHE 42 Cb 0.71 -0.57 -0.09 0.00 -0.94 0.00 0.00 39.48 38.59 2jvw n PHE 42 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2jvw h LYS 43 N 0.00 0.25 -2.93 -1.08 3.11 -0.95 -3.34 116.57 111.63 2jvw h LYS 43 Ca 0.00 -0.16 -0.10 0.00 -2.81 0.00 0.00 60.65 57.58 2jvw h LYS 43 Cb 0.87 0.02 -0.19 0.00 -1.00 0.00 0.00 32.23 31.93 2jvw h LYS 43 CO 0.00 0.75 -0.18 0.21 -2.81 0.00 0.00 179.45 177.42 2jvw s LYS 44 N -3.97 0.78 -1.23 1.90 2.20 -0.85 -4.92 119.74 113.66 2jvw s LYS 44 Ca -0.15 -0.20 -0.00 0.00 -0.36 0.00 0.00 55.97 55.26 2jvw s LYS 44 Cb 0.03 0.35 0.00 0.00 -1.51 0.00 0.00 37.83 36.70 2jvw s LYS 44 CO 0.74 -0.23 0.93 -0.25 -0.36 0.00 0.00 175.35 176.17 2jvw n ASP 45 N 1.01 -1.84 -4.71 1.43 8.00 -1.26 -4.64 116.55 114.54 2jvw n ASP 45 Ca -0.20 -0.67 -0.37 0.00 0.71 0.00 0.00 54.79 54.26 2jvw n ASP 45 Cb 0.57 -4.86 -0.07 0.00 -0.02 0.00 0.00 41.12 36.74 2jvw n ASP 45 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2jvw s PRO 46 N -5.52 4.23 -0.00 -0.24 0.04 -1.25 -4.93 135.00 127.33 2jvw s PRO 46 Ca 0.00 0.10 -0.08 0.00 0.04 0.00 0.00 61.00 61.06 2jvw s PRO 46 Cb -0.00 -3.46 0.01 0.00 0.04 0.00 0.00 34.50 31.08 2jvw s PRO 46 CO 0.75 0.16 0.16 -1.12 0.04 0.00 0.00 177.00 177.00 2jvw s SER 47 N 0.65 -0.02 0.00 6.66 0.01 -1.26 -5.06 113.70 114.68 2jvw s SER 47 Ca 0.17 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.30 2jvw s SER 47 Cb -0.13 0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.33 2jvw s SER 47 CO 0.05 -0.36 1.00 -0.38 0.41 0.00 0.00 173.24 173.96 2jvw n ILE 48 N 1.53 0.00 -0.31 1.44 2.08 -1.26 -0.54 119.36 122.30 2jvw n ILE 48 Ca -0.22 1.50 -0.03 0.00 0.56 0.00 0.00 62.75 64.56 2jvw n ILE 48 Cb 0.56 -2.38 0.09 0.00 -0.75 0.00 0.00 39.64 37.16 2jvw n ILE 48 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 2jvw h LYS 49 N 0.00 1.08 -0.30 0.38 3.64 -1.99 -1.02 116.57 118.36 2jvw h LYS 49 Ca 0.00 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.36 2jvw h LYS 49 Cb 0.00 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 31.54 2jvw h LYS 49 CO 0.00 0.72 0.06 1.03 -2.27 0.00 0.00 179.45 178.99 2jvw h SER 50 N 1.12 0.02 -0.71 4.20 0.87 -1.99 -2.45 113.55 114.61 2jvw h SER 50 Ca 0.32 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.87 2jvw h SER 50 Cb -0.09 0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 2jvw h SER 50 CO -0.08 0.05 0.23 -1.28 -0.53 0.00 0.00 176.83 175.22 2jvw h SER 51 N 0.18 1.02 -0.57 6.23 0.87 -0.25 -2.62 113.55 118.41 2jvw h SER 51 Ca 0.14 -0.20 0.08 0.00 -1.23 0.00 0.00 61.79 60.58 2jvw h SER 51 Cb 0.14 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.80 2jvw h SER 51 CO -0.18 0.96 0.38 -0.07 -0.53 0.00 0.00 176.83 177.39 2jvw h LEU 52 N 1.04 0.40 -1.86 2.23 3.38 -0.88 0.13 115.31 119.75 2jvw h LEU 52 Ca 0.23 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 2jvw h LEU 52 Cb 0.29 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 2jvw h LEU 52 CO -0.01 0.25 0.00 0.11 0.09 0.00 0.00 178.44 178.88 2jvw h LYS 53 N 0.45 0.09 0.04 1.13 1.57 -1.05 -1.73 116.57 117.06 2jvw h LYS 53 Ca 0.26 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.86 2jvw h LYS 53 Cb 0.43 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 2jvw h LYS 53 CO -0.07 0.09 -0.91 0.35 -0.57 0.00 0.00 179.45 178.34 2jvw h PHE 54 N 0.09 0.15 -0.46 -1.35 3.57 -0.89 -3.39 116.94 114.66 2jvw h PHE 54 Ca 0.02 -0.11 0.02 0.00 3.53 0.00 0.00 57.97 61.44 2jvw h PHE 54 Cb 0.06 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 2jvw h PHE 54 CO 0.00 1.36 0.31 -0.07 -2.23 0.00 0.00 178.31 177.67 2jvw h LEU 55 N -0.77 0.46 -0.43 0.59 3.38 -0.77 -2.01 115.31 115.76 2jvw h LEU 55 Ca -0.22 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.78 2jvw h LEU 55 Cb 1.36 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.96 2jvw h LEU 55 CO -0.06 0.33 0.20 0.08 0.09 0.00 0.00 178.44 179.08 2jvw h ARG 56 N 0.54 0.40 -0.12 1.13 0.11 -1.50 -3.00 114.38 111.93 2jvw h ARG 56 Ca 0.18 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.24 2jvw h ARG 56 Cb 0.06 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.05 2jvw h ARG 56 CO -0.04 0.26 0.00 0.36 0.10 0.00 0.00 179.97 180.65 2jvw n LYS 57 N -4.93 2.09 -3.46 0.08 2.85 -1.11 -4.69 118.16 108.99 2jvw n LYS 57 Ca 0.03 -1.89 -0.43 0.00 -1.05 0.00 0.00 58.31 54.96 2jvw n LYS 57 Cb 0.12 -1.43 -0.04 0.00 -0.65 0.00 0.00 35.03 33.03 2jvw n LYS 57 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2jvw s THR 58 N -1.67 4.99 0.12 0.58 2.01 -0.77 -4.97 115.64 115.93 2jvw s THR 58 Ca 0.28 -2.66 -0.24 0.00 0.31 0.00 0.00 61.69 59.38 2jvw s THR 58 Cb 0.19 -4.12 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 2jvw s THR 58 CO 0.27 -0.98 1.66 0.44 -0.69 0.00 0.00 174.62 175.32 2jvw h ASP 59 N 7.51 -0.57 -0.97 3.53 3.32 -1.84 0.02 116.42 127.42 2jvw h ASP 59 Ca 0.07 0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.24 2jvw h ASP 59 Cb 1.01 0.25 -0.05 0.00 0.22 0.00 0.00 39.33 40.75 2jvw h ASP 59 CO 0.74 -0.25 0.64 4.11 -1.72 0.00 0.00 179.24 182.75 2jvw h TRP 60 N -0.29 1.19 -0.41 4.55 5.08 -1.93 -0.44 115.95 123.69 2jvw h TRP 60 Ca 0.07 0.03 -0.03 0.00 1.08 0.00 0.00 58.89 60.04 2jvw h TRP 60 Cb 0.39 -0.40 -0.02 0.00 -3.00 0.00 0.00 29.16 26.13 2jvw h TRP 60 CO -0.26 0.71 0.13 0.00 -1.28 0.00 0.00 178.44 177.75 2jvw h ALA 61 N 1.43 0.54 0.00 0.11 0.00 -1.75 -1.24 119.26 118.35 2jvw h ALA 61 Ca 0.37 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.15 2jvw h ALA 61 Cb -0.04 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 2jvw h ALA 61 CO -0.11 0.18 -0.26 -0.09 0.00 0.00 0.00 179.25 178.97 2jvw h ARG 62 N 0.52 -0.39 -0.60 0.00 9.65 -0.10 0.65 114.38 124.11 2jvw h ARG 62 Ca 0.13 0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 59.00 2jvw h ARG 62 Cb 0.25 0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.89 2jvw h ARG 62 CO -0.01 -0.26 0.20 0.93 2.80 0.00 0.00 179.97 183.64 2jvw h GLU 63 N -0.40 0.90 -0.20 0.20 5.08 -1.06 -1.87 114.58 117.22 2jvw h GLU 63 Ca 0.06 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 2jvw h GLU 63 Cb 0.49 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2jvw h GLU 63 CO -0.23 0.77 -0.10 0.00 -1.00 0.00 0.00 179.01 178.45 2jvw h ARG 64 N 0.88 0.41 -0.53 2.33 3.08 -0.87 -1.03 114.38 118.66 2jvw h ARG 64 Ca 0.20 -0.18 0.01 0.00 0.07 0.00 0.00 59.98 60.08 2jvw h ARG 64 Cb 0.23 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 2jvw h ARG 64 CO -0.01 0.71 0.34 0.28 -1.07 0.00 0.00 179.97 180.21 2jvw h VAL 65 N 0.11 1.11 -0.34 2.04 2.07 -0.73 -1.01 116.25 119.49 2jvw h VAL 65 Ca 0.04 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 2jvw h VAL 65 Cb 0.58 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 2jvw h VAL 65 CO 0.03 0.12 -0.06 -0.33 0.02 0.00 0.00 177.57 177.35 2jvw h GLU 66 N 0.68 0.55 -0.26 1.57 5.08 -1.34 -2.32 114.58 118.54 2jvw h GLU 66 Ca 0.20 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 2jvw h GLU 66 Cb -0.04 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2jvw h GLU 66 CO -0.06 0.62 -0.08 -0.97 -1.00 0.00 0.00 179.01 177.52 2jvw h ASN 67 N 0.52 0.39 -0.74 1.42 -1.24 -0.49 -1.87 115.58 113.57 2jvw h ASN 67 Ca 0.10 -0.08 -0.04 0.00 0.71 0.00 0.00 56.30 56.99 2jvw h ASN 67 Cb 0.43 -0.10 -0.03 0.00 0.73 0.00 0.00 38.32 39.35 2jvw h ASN 67 CO 0.02 0.51 0.29 0.40 -1.29 0.00 0.00 177.43 177.36 2jvw h ILE 68 N 0.39 1.25 -0.70 2.57 2.04 -0.67 -1.36 117.51 121.03 2jvw h ILE 68 Ca 0.08 -0.81 0.03 0.00 1.00 0.00 0.00 64.86 65.16 2jvw h ILE 68 Cb 0.39 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 2jvw h ILE 68 CO 0.02 0.32 0.44 0.22 0.00 0.00 0.00 178.15 179.16 2jvw h TYR 69 N 1.07 0.83 -0.39 1.37 3.20 -1.00 0.16 116.97 122.20 2jvw h TYR 69 Ca 0.24 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.14 2jvw h TYR 69 Cb 0.23 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 2jvw h TYR 69 CO 0.02 0.47 0.26 -0.07 -1.64 0.00 0.00 178.16 177.20 2jvw h LEU 70 N 0.86 0.45 -1.33 2.82 3.38 -1.07 0.48 115.31 120.90 2jvw h LEU 70 Ca 0.28 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.29 2jvw h LEU 70 Cb 0.02 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 2jvw h LEU 70 CO -0.11 0.32 0.48 0.50 0.09 0.00 0.00 178.44 179.73 2jvw h LYS 71 N 0.53 0.82 0.06 1.13 3.64 -0.72 -2.19 116.57 119.84 2jvw h LYS 71 Ca 0.15 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2jvw h LYS 71 Cb -0.06 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.58 2jvw h LYS 71 CO -0.03 0.54 -0.03 1.25 -2.27 0.00 0.00 179.45 178.91 2jvw h LEU 72 N 0.85 -0.07 -0.55 5.20 5.85 0.07 -3.09 115.31 123.57 2jvw h LEU 72 Ca 0.30 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 2jvw h LEU 72 Cb 0.13 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 2jvw h LEU 72 CO -0.09 0.32 0.33 1.56 -0.34 0.00 0.00 178.44 180.22 2jvw h GLN 73 N -0.48 0.75 0.00 1.25 1.08 -0.73 0.30 115.11 117.28 2jvw h GLN 73 Ca -0.01 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2jvw h GLN 73 Cb 0.42 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 2jvw h GLN 73 CO 0.01 0.54 0.00 0.07 -0.95 0.00 0.00 178.83 178.50 2jvw h ARG 74 N 0.74 0.00 0.02 1.46 0.11 -1.49 -2.70 114.38 112.51 2jvw h ARG 74 Ca 0.20 0.00 -0.36 0.00 0.10 0.00 0.00 59.98 59.91 2jvw h ARG 74 Cb -0.01 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.01 2jvw h ARG 74 CO -0.04 0.00 -2.25 1.58 0.10 0.00 0.00 179.97 179.36 2jvw n HIS 75 N -2.62 0.35 -2.72 4.08 -0.00 -0.71 -4.76 115.22 108.84 2jvw n HIS 75 Ca 0.00 0.10 -0.42 0.00 0.46 0.00 0.00 57.72 57.86 2jvw n HIS 75 Cb 0.19 -1.05 -0.03 0.00 -0.12 0.00 0.00 29.99 28.98 2jvw n HIS 75 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 2jvw s LYS 76 N -2.53 3.52 0.68 1.57 2.20 0.98 -5.01 119.74 121.14 2jvw s LYS 76 Ca -0.19 -1.25 -0.11 0.00 -0.36 0.00 0.00 55.97 54.05 2jvw s LYS 76 Cb 0.07 -5.01 -0.00 0.00 -1.51 0.00 0.00 37.83 31.39 2jvw s LYS 76 CO 0.74 -2.01 1.06 -1.83 -0.36 0.00 0.00 175.35 172.95 2jvw s GLU 77 N 4.13 3.09 0.08 4.03 -1.05 -1.26 -4.83 118.70 122.90 2jvw s GLU 77 Ca 0.38 0.78 -0.26 0.00 -0.15 0.00 0.00 54.97 55.72 2jvw s GLU 77 Cb -0.04 -2.02 0.08 0.00 -0.44 0.00 0.00 34.13 31.71 2jvw s GLU 77 CO -0.06 -0.95 0.72 -0.98 0.95 0.00 0.00 175.26 174.95 2jvw s ARG 78 N -5.15 1.08 0.45 -4.83 1.70 -1.26 -5.18 118.95 105.76 2jvw s ARG 78 Ca 0.57 -0.37 -0.08 0.00 -0.47 0.00 0.00 55.73 55.39 2jvw s ARG 78 Cb -0.13 0.50 -0.05 0.00 -0.57 0.00 0.00 34.95 34.70 2jvw s ARG 78 CO 0.54 -0.47 0.78 0.54 -1.08 0.00 0.00 175.30 175.62 2jvw s ASN 79 N -2.55 6.38 0.05 -2.89 2.20 -1.26 -5.08 114.94 111.79 2jvw s ASN 79 Ca 0.02 1.03 -0.17 0.00 -0.94 0.00 0.00 52.86 52.81 2jvw s ASN 79 Cb -0.01 -2.29 -0.06 0.00 -2.00 0.00 0.00 41.25 36.89 2jvw s ASN 79 CO -0.10 -0.50 0.49 -1.58 -2.94 0.00 0.00 177.10 172.47 2jvw s GLN 80 N -4.32 4.04 -0.42 3.55 0.74 -1.26 -5.06 119.66 116.93 2jvw s GLN 80 Ca 0.49 0.55 -0.25 0.00 0.05 0.00 0.00 55.36 56.21 2jvw s GLN 80 Cb -0.10 -3.19 0.02 0.00 1.10 0.00 0.00 33.01 30.84 2jvw s GLN 80 CO 0.39 0.64 0.90 -0.51 -0.55 0.00 0.00 175.29 176.16 2jvw s LEU 81 N -1.21 4.04 0.00 3.68 1.43 -1.26 -5.32 118.68 120.04 2jvw s LEU 81 Ca 0.28 0.26 0.31 0.00 -1.03 0.00 0.00 54.13 53.95 2jvw s LEU 81 Cb -0.18 -3.17 1.72 0.00 0.03 0.00 0.00 46.19 44.59 2jvw s LEU 81 CO 0.17 -0.94 2.12 -0.62 0.23 0.00 0.00 176.35 177.30