#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jvw s ALA 2 N 0.00 2.77 -0.68 3.04 0.00 -1.26 -4.96 121.76 120.67 2jvw s ALA 2 Ca 0.00 -1.02 -0.20 0.00 0.00 0.00 0.00 51.96 50.74 2jvw s ALA 2 Cb 0.00 -4.18 0.10 0.00 0.00 0.00 0.00 23.12 19.05 2jvw s ALA 2 CO 0.00 -3.11 0.86 -0.51 0.00 0.00 0.00 175.76 173.00 2jvw s LEU 3 N 5.91 5.07 -0.79 0.00 2.01 -1.26 -4.81 118.68 124.81 2jvw s LEU 3 Ca 0.44 -1.45 -0.26 0.00 0.01 0.00 0.00 54.13 52.87 2jvw s LEU 3 Cb -0.09 -2.35 -0.12 0.00 0.01 0.00 0.00 46.19 43.64 2jvw s LEU 3 CO 0.20 -1.19 2.34 -0.63 1.01 0.00 0.00 176.35 178.09 2jvw s ILE 4 N 3.02 3.07 0.11 -0.59 -1.09 -1.26 -4.74 121.20 119.72 2jvw s ILE 4 Ca 0.19 -0.05 -0.00 0.00 -2.23 0.00 0.00 60.65 58.55 2jvw s ILE 4 Cb -0.18 -3.16 -0.24 0.00 -1.58 0.00 0.00 42.46 37.30 2jvw s ILE 4 CO 0.04 -0.15 1.23 0.00 -1.23 0.00 0.00 174.94 174.83 2jvw h MET 5 N 12.92 0.19 -6.24 2.79 -0.00 -2.00 -3.45 114.93 119.14 2jvw h MET 5 Ca -0.00 -0.30 -0.55 0.00 -0.00 0.00 0.00 59.70 58.85 2jvw h MET 5 Cb 1.02 0.11 -0.02 0.00 -0.00 0.00 0.00 31.60 32.71 2jvw h MET 5 CO 1.04 1.11 1.06 0.99 -0.00 0.00 0.00 176.91 181.11 2jvw s THR 6 N -2.80 3.72 0.18 -0.10 2.01 -1.26 -4.97 115.64 112.42 2jvw s THR 6 Ca -0.03 0.87 -0.31 0.00 0.31 0.00 0.00 61.69 62.53 2jvw s THR 6 Cb 0.08 -3.58 -0.09 0.00 0.01 0.00 0.00 72.50 68.92 2jvw s THR 6 CO 0.86 -0.10 1.45 0.00 -0.69 0.00 0.00 174.62 176.14 2jvw s GLN 7 N 4.01 4.28 -0.51 4.92 -2.07 -1.26 -4.93 119.66 124.10 2jvw s GLN 7 Ca 0.70 2.23 -0.28 0.00 -1.82 0.00 0.00 55.36 56.20 2jvw s GLN 7 Cb -0.30 -3.17 -0.01 0.00 -1.09 0.00 0.00 33.01 28.44 2jvw s GLN 7 CO 0.27 -0.46 1.69 1.14 -1.32 0.00 0.00 175.29 176.60 2jvw s GLN 8 N 0.52 3.08 -0.05 9.60 1.03 -1.26 -4.88 119.66 127.70 2jvw s GLN 8 Ca 0.64 0.82 -0.05 0.00 0.04 0.00 0.00 55.36 56.80 2jvw s GLN 8 Cb -0.41 -4.24 -0.03 0.00 0.03 0.00 0.00 33.01 28.37 2jvw s GLN 8 CO 0.35 -2.19 0.27 -0.91 -2.54 0.00 0.00 175.29 170.28 2jvw h ASN 9 N 12.99 -0.16 -3.13 12.60 4.21 -2.05 -3.44 115.58 136.61 2jvw h ASN 9 Ca -0.28 0.01 -0.61 0.00 1.21 0.00 0.00 56.30 56.62 2jvw h ASN 9 Cb 1.14 0.04 -0.40 0.00 -1.12 0.00 0.00 38.32 37.98 2jvw h ASN 9 CO 1.15 0.18 -0.76 0.20 -1.29 0.00 0.00 177.43 176.90 2jvw s ASN 10 N -4.61 3.35 -0.03 5.81 0.02 -1.26 -4.99 114.94 113.23 2jvw s ASN 10 Ca -0.03 -2.93 -0.25 0.00 -1.02 0.00 0.00 52.86 48.63 2jvw s ASN 10 Cb 0.00 -0.99 -0.20 0.00 0.02 0.00 0.00 41.25 40.09 2jvw s ASN 10 CO 0.08 -0.21 1.18 1.55 0.02 0.00 0.00 177.10 179.72 2jvw h PRO 11 N 6.25 -0.07 -1.75 -0.60 0.13 -1.99 -3.27 132.00 130.69 2jvw h PRO 11 Ca 0.08 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.94 2jvw h PRO 11 Cb 0.89 0.02 -0.11 0.00 0.13 0.00 0.00 31.00 31.93 2jvw h PRO 11 CO 0.49 0.42 0.25 1.47 -0.23 0.00 0.00 178.00 180.40 2jvw n LEU 12 N -4.88 6.12 -4.59 1.56 -0.00 -1.26 -4.94 117.00 109.01 2jvw n LEU 12 Ca -0.09 -3.25 -0.42 0.00 -0.00 0.00 0.00 56.01 52.26 2jvw n LEU 12 Cb 0.27 -1.14 -0.03 0.00 -0.00 0.00 0.00 43.42 42.52 2jvw n LEU 12 CO 0.32 1.32 1.81 -2.28 -0.00 0.00 0.00 177.39 178.56 2jvw s HIS 13 N -1.15 1.29 0.00 1.47 2.46 -1.24 -0.67 115.29 117.45 2jvw s HIS 13 Ca 0.33 0.75 0.00 0.00 0.47 0.00 0.00 55.06 56.62 2jvw s HIS 13 Cb 0.23 -3.91 0.00 0.00 -0.13 0.00 0.00 32.58 28.77 2jvw s HIS 13 CO -0.04 -3.50 0.00 0.41 -2.47 0.00 0.00 174.74 169.13 2jvw n GLY 14 N 5.74 1.14 3.48 1.59 0.00 -1.26 -5.03 105.19 110.85 2jvw n GLY 14 Ca 0.29 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.72 5.12 0.68 -0.61 1.01 0.15 -5.08 121.20 119.76 2jvw s ILE 15 Ca 0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 60.65 60.20 2jvw s ILE 15 Cb 0.00 -4.02 0.06 0.00 0.01 0.00 0.00 42.46 38.52 2jvw s ILE 15 CO 0.00 -0.40 0.97 0.42 0.00 0.00 0.00 174.94 175.93 2jvw s THR 16 N 2.05 2.34 0.30 2.92 -4.23 -1.26 -4.78 115.64 112.98 2jvw s THR 16 Ca 0.11 -0.36 0.06 0.00 -1.18 0.00 0.00 61.69 60.31 2jvw s THR 16 Cb -0.17 -2.97 0.30 0.00 1.34 0.00 0.00 72.50 70.99 2jvw s THR 16 CO 0.13 0.00 1.76 0.25 -0.54 0.00 0.00 174.62 176.21 2jvw h LEU 17 N -0.49 0.70 0.31 4.79 5.85 -1.98 0.11 115.31 124.60 2jvw h LEU 17 Ca -0.43 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.40 2jvw h LEU 17 Cb 1.31 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.30 2jvw h LEU 17 CO 0.57 0.20 -0.48 -0.61 -0.34 0.00 0.00 178.44 177.78 2jvw h GLN 18 N 0.67 -0.81 -0.53 1.25 4.15 -1.99 0.13 115.11 117.98 2jvw h GLN 18 Ca 0.59 0.06 -0.02 0.00 0.77 0.00 0.00 58.65 60.04 2jvw h GLN 18 Cb 0.98 0.18 -0.02 0.00 0.21 0.00 0.00 27.48 28.83 2jvw h GLN 18 CO -0.42 -0.54 0.27 -0.22 -1.93 0.00 0.00 178.83 175.99 2jvw h LYS 19 N -0.84 0.76 0.33 1.69 1.63 -1.68 -2.03 116.57 116.42 2jvw h LYS 19 Ca -0.03 -0.10 -0.00 0.00 -0.85 0.00 0.00 60.65 59.67 2jvw h LYS 19 Cb 0.79 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.26 2jvw h LYS 19 CO -0.16 0.61 -0.30 1.25 -3.45 0.00 0.00 179.45 177.40 2jvw h LEU 20 N 0.71 -0.81 -0.91 5.20 6.46 -0.66 -1.52 115.31 123.76 2jvw h LEU 20 Ca 0.18 0.07 0.05 0.00 -0.12 0.00 0.00 57.88 58.07 2jvw h LEU 20 Cb 0.10 0.27 -0.06 0.00 -0.73 0.00 0.00 40.66 40.24 2jvw h LEU 20 CO -0.03 -0.44 0.58 0.25 -0.62 0.00 0.00 178.44 178.19 2jvw h LEU 21 N -0.66 0.94 0.02 2.25 5.85 -0.72 -2.14 115.31 120.84 2jvw h LEU 21 Ca -0.02 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.73 2jvw h LEU 21 Cb 0.59 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 2jvw h LEU 21 CO -0.04 0.62 -0.19 0.74 -0.34 0.00 0.00 178.44 179.23 2jvw h THR 22 N 1.09 0.56 -0.56 1.05 2.02 -0.96 -0.55 112.91 115.55 2jvw h THR 22 Ca 0.39 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.56 2jvw h THR 22 Cb 0.11 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 2jvw h THR 22 CO -0.15 0.00 0.34 -0.33 0.37 0.00 0.00 175.52 175.74 2jvw h GLU 23 N -0.31 0.75 -0.74 6.66 5.08 -1.01 0.27 114.58 125.27 2jvw h GLU 23 Ca 0.05 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 2jvw h GLU 23 Cb 0.37 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 2jvw h GLU 23 CO -0.16 0.53 0.25 -0.07 -1.00 0.00 0.00 179.01 178.55 2jvw h LEU 24 N 0.77 1.07 -0.51 1.33 3.38 -0.84 -0.08 115.31 120.44 2jvw h LEU 24 Ca 0.20 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2jvw h LEU 24 Cb -0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 2jvw h LEU 24 CO -0.04 0.99 -0.18 0.58 0.09 0.00 0.00 178.44 179.88 2jvw h VAL 25 N 1.10 1.27 -0.18 1.22 2.07 -0.22 0.52 116.25 122.03 2jvw h VAL 25 Ca 0.24 -1.35 -0.10 0.00 0.82 0.00 0.00 66.70 66.32 2jvw h VAL 25 Cb 0.29 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2jvw h VAL 25 CO -0.01 0.47 -0.31 -0.33 0.02 0.00 0.00 177.57 177.41 2jvw h GLU 26 N 0.89 0.35 0.00 1.57 4.39 -0.74 -2.30 114.58 118.73 2jvw h GLU 26 Ca 0.12 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2jvw h GLU 26 Cb 0.76 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 2jvw h GLU 26 CO 0.06 0.63 -0.51 1.58 -1.16 0.00 0.00 179.01 179.61 2jvw n HIS 27 N -4.09 0.40 -0.04 4.33 -0.00 -0.06 -4.76 115.22 110.99 2jvw n HIS 27 Ca -0.01 0.18 -0.13 0.00 0.46 0.00 0.00 57.72 58.22 2jvw n HIS 27 Cb 0.43 -0.52 -0.11 0.00 -0.12 0.00 0.00 29.99 29.66 2jvw n HIS 27 CO 0.00 0.00 0.00 1.88 0.46 0.00 0.00 176.34 178.68 2jvw h TYR 28 N -0.72 -0.02 0.00 1.57 -1.99 -0.18 -3.51 116.97 112.12 2jvw h TYR 28 Ca 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2jvw h TYR 28 Cb 0.51 0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.25 2jvw h TYR 28 CO -0.22 0.76 0.00 0.41 -0.00 0.00 0.00 178.16 179.11 2jvw n GLY 29 N 1.21 1.75 0.25 3.88 0.00 -0.48 -4.42 105.19 107.39 2jvw n GLY 29 Ca -0.09 -1.80 -0.02 0.00 0.00 0.00 0.00 46.02 44.11 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 0.66 -0.38 1.61 4.06 -1.88 -1.79 115.95 118.23 2jvw h TRP 30 Ca 0.00 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.97 2jvw h TRP 30 Cb 0.00 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 27.94 2jvw h TRP 30 CO 0.00 0.31 0.22 0.93 -3.56 0.00 0.00 178.44 176.34 2jvw h GLU 31 N 0.66 0.52 -0.27 0.49 5.08 -1.87 0.15 114.58 119.34 2jvw h GLU 31 Ca 0.29 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.55 2jvw h GLU 31 Cb 0.18 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2jvw h GLU 31 CO -0.18 0.40 -0.04 1.49 -1.00 0.00 0.00 179.01 179.68 2jvw h GLU 32 N 0.49 0.50 -0.94 2.33 4.81 -1.71 0.32 114.58 120.38 2jvw h GLU 32 Ca 0.13 -0.18 0.08 0.00 -0.13 0.00 0.00 59.36 59.27 2jvw h GLU 32 Cb 0.02 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.30 2jvw h GLU 32 CO -0.02 0.69 0.59 -0.07 -0.73 0.00 0.00 179.01 179.47 2jvw h LEU 33 N 0.27 0.91 -1.36 1.64 3.38 -1.22 -0.32 115.31 118.61 2jvw h LEU 33 Ca 0.07 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2jvw h LEU 33 Cb 0.49 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2jvw h LEU 33 CO 0.02 0.55 -0.30 -1.28 0.09 0.00 0.00 178.44 177.52 2jvw h SER 34 N 1.02 0.00 -0.26 -0.43 0.87 -0.22 -1.67 113.55 112.86 2jvw h SER 34 Ca 0.43 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.87 2jvw h SER 34 Cb 0.28 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2jvw h SER 34 CO -0.21 0.30 -0.32 0.22 -0.53 0.00 0.00 176.83 176.29 2jvw h TYR 35 N 0.00 0.82 0.00 2.24 3.20 0.14 -3.34 116.97 120.03 2jvw h TYR 35 Ca -0.00 -0.26 -0.00 0.00 3.14 0.00 0.00 58.73 61.60 2jvw h TYR 35 Cb 0.62 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 2jvw h TYR 35 CO 0.00 1.01 -0.02 0.52 -1.64 0.00 0.00 178.16 178.03 2jvw h MET 36 N 0.40 0.00 -5.37 1.82 2.86 -1.47 -3.43 114.93 109.73 2jvw h MET 36 Ca 0.03 0.00 -0.64 0.00 -2.06 0.00 0.00 59.70 57.03 2jvw h MET 36 Cb 0.90 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.41 2jvw h MET 36 CO 0.08 0.56 0.60 0.08 1.06 0.00 0.00 176.91 179.28 2jvw s VAL 37 N -1.93 4.39 -1.15 -2.22 1.01 -0.63 -4.97 120.40 114.90 2jvw s VAL 37 Ca -0.11 -0.57 -0.22 0.00 0.00 0.00 0.00 61.98 61.08 2jvw s VAL 37 Cb -0.02 -4.70 -0.04 0.00 0.00 0.00 0.00 36.38 31.63 2jvw s VAL 37 CO 0.38 -1.47 1.86 0.21 0.00 0.00 0.00 175.10 176.08 2jvw s ASN 38 N 3.70 5.56 0.02 3.32 2.47 -1.26 -4.50 114.94 124.25 2jvw s ASN 38 Ca 0.24 -1.67 -0.01 0.00 0.42 0.00 0.00 52.86 51.84 2jvw s ASN 38 Cb -0.15 -2.58 -0.02 0.00 -1.45 0.00 0.00 41.25 37.05 2jvw s ASN 38 CO 0.07 -2.49 -0.00 0.27 -3.72 0.00 0.00 177.10 171.23 2jvw s ILE 39 N 8.92 0.12 0.03 -5.21 -4.36 -1.26 -5.04 121.20 114.39 2jvw s ILE 39 Ca 0.64 -0.95 0.32 0.00 -0.26 0.00 0.00 60.65 60.40 2jvw s ILE 39 Cb -0.01 -0.40 0.36 0.00 1.25 0.00 0.00 42.46 43.66 2jvw s ILE 39 CO 0.08 -0.52 1.96 -1.13 0.24 0.00 0.00 174.94 175.57 2jvw h ASN 40 N 4.46 0.00 -0.89 4.36 -1.24 -1.98 -3.20 115.58 117.08 2jvw h ASN 40 Ca -0.32 0.00 0.14 0.00 0.71 0.00 0.00 56.30 56.83 2jvw h ASN 40 Cb 1.20 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 40.16 2jvw h ASN 40 CO 0.43 0.00 0.50 0.00 -1.29 0.00 0.00 177.43 177.07 2jvw n PHE 42 N -4.78 0.63 0.01 0.00 3.72 -1.21 -4.41 117.46 111.42 2jvw n PHE 42 Ca 0.17 -0.31 -0.03 0.00 -0.05 0.00 0.00 57.45 57.23 2jvw n PHE 42 Cb 0.40 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.93 2jvw n PHE 42 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2jvw n LYS 43 N 0.89 0.11 -3.13 -1.08 5.02 -0.03 -4.61 118.16 115.34 2jvw n LYS 43 Ca 0.16 0.04 -0.42 0.00 -2.02 0.00 0.00 58.31 56.07 2jvw n LYS 43 Cb 0.40 -0.69 -0.07 0.00 -0.02 0.00 0.00 35.03 34.66 2jvw n LYS 43 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2jvw s LYS 44 N -2.16 3.49 -0.59 1.97 2.36 0.30 -4.42 119.74 120.69 2jvw s LYS 44 Ca -0.06 -0.17 -0.05 0.00 -2.55 0.00 0.00 55.97 53.14 2jvw s LYS 44 Cb 0.01 -3.87 0.01 0.00 -1.05 0.00 0.00 37.83 32.93 2jvw s LYS 44 CO 0.09 -0.85 0.61 -0.25 1.55 0.00 0.00 175.35 176.50 2jvw n ASP 45 N 6.11 -7.39 -4.55 1.43 8.00 -1.26 -4.77 116.55 114.11 2jvw n ASP 45 Ca -0.02 0.12 -0.37 0.00 0.71 0.00 0.00 54.79 55.23 2jvw n ASP 45 Cb 0.48 -5.00 -0.03 0.00 -0.02 0.00 0.00 41.12 36.55 2jvw n ASP 45 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 2jvw s PRO 46 N -2.83 2.43 -0.09 -0.24 0.02 -1.26 -4.81 135.00 128.22 2jvw s PRO 46 Ca 0.08 0.87 -0.09 0.00 0.02 0.00 0.00 61.00 61.87 2jvw s PRO 46 Cb -0.02 -4.47 0.02 0.00 0.02 0.00 0.00 34.50 30.05 2jvw s PRO 46 CO 0.70 -2.96 0.24 -1.12 -0.33 0.00 0.00 177.00 173.53 2jvw s SER 47 N 9.56 -0.24 0.07 2.53 0.01 -1.26 -5.08 113.70 119.29 2jvw s SER 47 Ca 0.78 0.45 -0.34 0.00 1.31 0.00 0.00 55.95 58.15 2jvw s SER 47 Cb -0.14 0.48 -0.18 0.00 0.21 0.00 0.00 66.02 66.39 2jvw s SER 47 CO 0.22 -0.11 1.61 0.40 0.41 0.00 0.00 173.24 175.77 2jvw h ILE 48 N 4.70 0.24 -0.68 1.44 1.08 -1.99 0.49 117.51 122.80 2jvw h ILE 48 Ca -0.26 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.23 2jvw h ILE 48 Cb 1.19 0.24 -0.04 0.00 -3.07 0.00 0.00 36.82 35.14 2jvw h ILE 48 CO 0.36 0.00 0.43 0.50 -0.69 0.00 0.00 178.15 178.75 2jvw h LYS 49 N -0.97 0.83 -0.33 2.37 3.64 -1.99 -0.37 116.57 119.74 2jvw h LYS 49 Ca -0.09 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.19 2jvw h LYS 49 Cb 0.77 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 2jvw h LYS 49 CO 0.11 0.55 -0.00 1.03 -2.27 0.00 0.00 179.45 178.87 2jvw h SER 50 N 0.85 0.58 -0.17 4.20 0.87 -1.92 -2.72 113.55 115.24 2jvw h SER 50 Ca 0.27 -0.31 0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2jvw h SER 50 Cb -0.01 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 2jvw h SER 50 CO -0.09 0.75 0.04 -1.28 -0.53 0.00 0.00 176.83 175.72 2jvw h SER 51 N 0.40 0.03 -0.70 6.23 0.87 -0.50 -2.56 113.55 117.32 2jvw h SER 51 Ca 0.09 0.02 0.12 0.00 -1.23 0.00 0.00 61.79 60.79 2jvw h SER 51 Cb 0.45 0.02 -0.08 0.00 -0.44 0.00 0.00 62.40 62.35 2jvw h SER 51 CO 0.02 0.05 0.28 -0.07 -0.53 0.00 0.00 176.83 176.58 2jvw h LEU 52 N 0.12 0.29 -0.64 2.23 3.38 -1.05 -0.02 115.31 119.62 2jvw h LEU 52 Ca 0.08 0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.24 2jvw h LEU 52 Cb 0.06 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.79 2jvw h LEU 52 CO -0.09 0.14 0.25 0.50 0.09 0.00 0.00 178.44 179.33 2jvw h LYS 53 N 0.46 0.41 -0.29 1.13 3.64 -1.13 0.11 116.57 120.90 2jvw h LYS 53 Ca 0.37 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.58 2jvw h LYS 53 Cb 0.49 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 2jvw h LYS 53 CO -0.35 0.27 -0.41 0.35 -2.27 0.00 0.00 179.45 177.05 2jvw h PHE 54 N 0.43 0.84 -0.01 1.91 3.57 -1.03 -3.01 116.94 119.64 2jvw h PHE 54 Ca 0.33 -0.25 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 2jvw h PHE 54 Cb 0.42 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2jvw h PHE 54 CO -0.17 0.99 -0.31 -0.07 -2.23 0.00 0.00 178.31 176.52 2jvw h LEU 55 N 0.57 0.01 -1.16 0.59 3.38 -0.13 0.59 115.31 119.17 2jvw h LEU 55 Ca 0.05 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 2jvw h LEU 55 Cb 0.95 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2jvw h LEU 55 CO 0.09 0.33 -0.19 0.03 0.09 0.00 0.00 178.44 178.79 2jvw h ARG 56 N 0.01 0.36 0.00 1.13 3.08 -0.68 -2.97 114.38 115.31 2jvw h ARG 56 Ca -0.00 -0.11 -0.15 0.00 0.07 0.00 0.00 59.98 59.79 2jvw h ARG 56 Cb 0.56 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.55 2jvw h ARG 56 CO 0.04 0.54 -1.63 0.36 -1.07 0.00 0.00 179.97 178.21 2jvw n LYS 57 N -4.19 0.64 -3.55 0.04 2.85 -1.08 -4.71 118.16 108.15 2jvw n LYS 57 Ca -0.00 0.10 -0.41 0.00 -1.05 0.00 0.00 58.31 56.94 2jvw n LYS 57 Cb 0.34 -1.71 -0.06 0.00 -0.65 0.00 0.00 35.03 32.94 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 -3.01 4.54 0.06 0.58 2.01 0.18 -4.96 115.64 115.04 2jvw s THR 58 Ca -0.05 -2.79 -0.29 0.00 0.31 0.00 0.00 61.69 58.88 2jvw s THR 58 Cb 0.09 -3.88 -0.17 0.00 0.01 0.00 0.00 72.50 68.55 2jvw s THR 58 CO 0.83 -0.95 1.58 0.44 -0.69 0.00 0.00 174.62 175.83 2jvw h ASP 59 N 7.31 -0.47 -0.78 3.53 3.32 -1.85 -2.87 116.42 124.62 2jvw h ASP 59 Ca 0.04 -0.02 0.17 0.00 0.02 0.00 0.00 57.03 57.24 2jvw h ASP 59 Cb 0.99 0.12 -0.05 0.00 0.22 0.00 0.00 39.33 40.61 2jvw h ASP 59 CO 0.73 -0.28 0.52 4.11 -1.72 0.00 0.00 179.24 182.60 2jvw h TRP 60 N -0.63 0.41 -0.23 4.55 5.08 -1.93 -0.58 115.95 122.62 2jvw h TRP 60 Ca -0.06 0.01 0.01 0.00 1.08 0.00 0.00 58.89 59.93 2jvw h TRP 60 Cb 0.47 -0.13 -0.02 0.00 -3.00 0.00 0.00 29.16 26.48 2jvw h TRP 60 CO -0.03 0.14 0.13 0.00 -1.28 0.00 0.00 178.44 177.40 2jvw h ALA 61 N 1.64 0.29 -0.24 0.11 0.00 -1.86 -2.10 119.26 117.10 2jvw h ALA 61 Ca 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2jvw h ALA 61 Cb 1.01 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2jvw h ALA 61 CO -0.11 -0.27 0.15 -0.09 0.00 0.00 0.00 179.25 178.93 2jvw h ARG 62 N 0.27 0.32 -0.54 0.00 2.43 -1.09 -2.30 114.38 113.47 2jvw h ARG 62 Ca 0.09 -0.02 0.16 0.00 -0.81 0.00 0.00 59.98 59.39 2jvw h ARG 62 Cb -0.00 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2jvw h ARG 62 CO -0.05 0.23 0.42 0.93 -1.51 0.00 0.00 179.97 180.00 2jvw h GLU 63 N 0.31 0.00 -0.06 0.20 4.39 -1.08 0.37 114.58 118.72 2jvw h GLU 63 Ca 0.09 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.62 2jvw h GLU 63 Cb -0.01 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.65 2jvw h GLU 63 CO -0.02 0.00 -0.60 0.00 -1.16 0.00 0.00 179.01 177.23 2jvw h ARG 64 N 0.00 0.51 -0.07 2.33 2.47 -0.93 -2.60 114.38 116.10 2jvw h ARG 64 Ca 0.26 -0.47 0.02 0.00 -1.26 0.00 0.00 59.98 58.52 2jvw h ARG 64 Cb 1.10 0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 29.52 2jvw h ARG 64 CO -0.00 1.11 -0.04 0.28 0.56 0.00 0.00 179.97 181.88 2jvw h VAL 65 N 0.09 0.88 -0.42 2.04 2.07 0.09 -1.05 116.25 119.95 2jvw h VAL 65 Ca -0.06 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.54 2jvw h VAL 65 Cb 1.27 0.88 -0.08 0.00 -1.52 0.00 0.00 31.29 31.85 2jvw h VAL 65 CO 0.12 0.00 -0.09 -0.33 0.02 0.00 0.00 177.57 177.30 2jvw h GLU 66 N -0.03 0.02 -0.76 1.57 4.39 -0.69 -2.19 114.58 116.89 2jvw h GLU 66 Ca 0.04 -0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.82 2jvw h GLU 66 Cb 0.09 -0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.67 2jvw h GLU 66 CO -0.09 0.01 0.42 -0.97 -1.16 0.00 0.00 179.01 177.22 2jvw h ASN 67 N 0.02 0.60 -0.77 1.42 -1.24 -1.04 -0.27 115.58 114.30 2jvw h ASN 67 Ca 0.20 0.05 -0.00 0.00 0.71 0.00 0.00 56.30 57.26 2jvw h ASN 67 Cb 0.31 -0.07 -0.04 0.00 0.73 0.00 0.00 38.32 39.25 2jvw h ASN 67 CO -0.42 0.35 0.47 0.40 -1.29 0.00 0.00 177.43 176.95 2jvw h ILE 68 N 0.72 1.21 -0.17 2.57 2.04 -0.58 0.13 117.51 123.43 2jvw h ILE 68 Ca 0.36 -0.46 -0.15 0.00 1.00 0.00 0.00 64.86 65.61 2jvw h ILE 68 Cb 0.31 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 2jvw h ILE 68 CO -0.23 0.22 -0.47 0.22 0.00 0.00 0.00 178.15 177.89 2jvw h TYR 69 N 1.06 0.80 -0.75 1.37 3.20 -0.96 -2.96 116.97 118.74 2jvw h TYR 69 Ca 0.28 -0.32 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 2jvw h TYR 69 Cb -0.05 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 2jvw h TYR 69 CO 0.00 1.09 0.36 -0.07 -1.64 0.00 0.00 178.16 177.91 2jvw h LEU 70 N 0.29 0.97 -1.39 2.82 3.38 -0.70 -2.04 115.31 118.63 2jvw h LEU 70 Ca -0.01 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 57.89 2jvw h LEU 70 Cb 1.09 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 2jvw h LEU 70 CO 0.10 0.83 0.47 0.50 0.09 0.00 0.00 178.44 180.43 2jvw h LYS 71 N 1.05 0.72 -0.26 1.13 3.64 -0.79 -1.14 116.57 120.92 2jvw h LYS 71 Ca 0.26 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.47 2jvw h LYS 71 Cb 0.11 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2jvw h LYS 71 CO -0.03 0.48 -0.35 1.25 -2.27 0.00 0.00 179.45 178.52 2jvw h LEU 72 N 0.74 0.60 -0.55 5.20 5.85 -1.22 -2.99 115.31 122.94 2jvw h LEU 72 Ca 0.30 -0.25 -0.16 0.00 0.84 0.00 0.00 57.88 58.62 2jvw h LEU 72 Cb 0.25 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2jvw h LEU 72 CO -0.10 0.90 -0.62 1.56 -0.34 0.00 0.00 178.44 179.84 2jvw h GLN 73 N 0.48 0.36 0.00 1.25 1.08 -0.58 -1.39 115.11 116.32 2jvw h GLN 73 Ca 0.05 -0.25 0.00 0.00 -1.45 0.00 0.00 58.65 57.00 2jvw h GLN 73 Cb 0.83 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.30 2jvw h GLN 73 CO 0.07 0.87 0.00 0.07 -0.95 0.00 0.00 178.83 178.89 2jvw h ARG 74 N 0.26 0.00 0.00 1.46 -0.00 -1.37 -2.48 114.38 112.25 2jvw h ARG 74 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.97 2jvw h ARG 74 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.13 2jvw h ARG 74 CO 0.10 0.00 -0.75 1.25 -0.00 0.00 0.00 179.97 180.57 2jvw h HIS 75 N 0.00 0.00 -0.20 4.08 2.76 -1.17 -3.44 115.15 117.18 2jvw h HIS 75 Ca 0.00 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 2jvw h HIS 75 Cb 0.46 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.42 2jvw h HIS 75 CO 0.00 0.00 0.18 1.63 -1.30 0.00 0.00 177.93 178.44 2jvw n LYS 76 N -2.60 0.32 -2.06 5.26 4.76 -0.61 -4.85 118.16 118.37 2jvw n LYS 76 Ca 0.01 -1.09 -0.37 0.00 -2.87 0.00 0.00 58.31 53.99 2jvw n LYS 76 Cb 0.52 -3.51 -0.03 0.00 -1.84 0.00 0.00 35.03 30.17 2jvw n LYS 76 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 2jvw n GLU 77 N 8.14 2.31 -2.84 1.97 0.28 -1.26 -4.95 120.64 124.29 2jvw n GLU 77 Ca 0.44 -2.68 -0.38 0.00 -0.16 0.00 0.00 57.16 54.38 2jvw n GLU 77 Cb 0.43 -3.47 -0.06 0.00 1.43 0.00 0.00 31.44 29.77 2jvw n GLU 77 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2jvw s ARG 78 N 5.04 4.60 1.31 3.44 1.81 -1.26 -4.80 118.95 129.09 2jvw s ARG 78 Ca 0.59 1.28 -0.20 0.00 -1.72 0.00 0.00 55.73 55.69 2jvw s ARG 78 Cb 0.05 -2.98 0.33 0.00 -0.45 0.00 0.00 34.95 31.90 2jvw s ARG 78 CO 0.09 0.39 1.00 -0.80 -0.68 0.00 0.00 175.30 175.29 2jvw s ASN 79 N -1.46 -0.09 0.31 0.23 -0.87 -1.26 -4.75 114.94 107.04 2jvw s ASN 79 Ca 0.45 0.92 0.00 0.00 -1.57 0.00 0.00 52.86 52.67 2jvw s ASN 79 Cb -0.21 -1.35 0.00 0.00 -0.02 0.00 0.00 41.25 39.68 2jvw s ASN 79 CO 0.26 -4.78 0.03 0.00 -2.57 0.00 0.00 177.10 170.04 2jvw n GLN 80 N -5.24 1.22 -1.81 -0.60 10.64 -1.26 -5.09 117.38 115.23 2jvw n GLN 80 Ca 0.11 -2.23 -0.29 0.00 -1.83 0.00 0.00 57.00 52.76 2jvw n GLN 80 Cb 0.59 0.55 0.11 0.00 -0.86 0.00 0.00 30.24 30.63 2jvw n GLN 80 CO 0.00 0.00 0.00 -0.48 -1.83 0.00 0.00 177.06 174.75 2jvw s LEU 81 N 0.00 2.39 0.00 2.61 0.05 -1.26 -5.24 118.68 117.23 2jvw s LEU 81 Ca 0.03 0.77 0.29 0.00 0.05 0.00 0.00 54.13 55.27 2jvw s LEU 81 Cb -0.00 -3.17 1.27 0.00 -2.05 0.00 0.00 46.19 42.24 2jvw s LEU 81 CO 0.02 -2.16 1.87 -0.62 -0.55 0.00 0.00 176.35 174.90