#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jnj h SER 2 N 0.00 0.00 -4.71 1.61 0.02 -2.08 -3.45 113.55 104.95 2jnj h SER 2 Ca 0.00 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.43 2jnj h SER 2 Cb 0.00 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 62.43 2jnj h SER 2 CO 0.00 0.12 -0.43 1.41 -1.14 0.00 0.00 176.83 176.79 2jnj n HIS 3 N -3.21 0.31 -1.87 3.45 8.25 -1.26 -5.02 115.22 115.87 2jnj n HIS 3 Ca 0.01 -2.36 -0.41 0.00 -0.26 0.00 0.00 57.72 54.70 2jnj n HIS 3 Cb 0.42 -0.06 -0.01 0.00 1.12 0.00 0.00 29.99 31.46 2jnj n HIS 3 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2jnj n MET 4 N -0.90 3.64 -3.66 -0.41 0.00 -1.26 -4.66 117.12 109.87 2jnj n MET 4 Ca -0.08 -2.97 -0.29 0.00 0.00 0.00 0.00 57.70 54.36 2jnj n MET 4 Cb 0.56 -2.94 -0.15 0.00 0.00 0.00 0.00 33.22 30.69 2jnj n MET 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 2jnj s VAL 5 N 1.22 0.42 -0.29 2.03 1.01 -1.26 -5.07 120.40 118.45 2jnj s VAL 5 Ca 0.51 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 2jnj s VAL 5 Cb 0.15 -1.24 0.10 0.00 0.00 0.00 0.00 36.38 35.39 2jnj s VAL 5 CO -0.06 -0.58 0.12 0.20 0.00 0.00 0.00 175.10 174.79 2jnj s ASN 6 N 1.86 3.61 -0.13 3.32 0.01 -1.26 -4.51 114.94 117.85 2jnj s ASN 6 Ca 0.07 -1.35 0.02 0.00 -0.71 0.00 0.00 52.86 50.89 2jnj s ASN 6 Cb -0.17 -0.48 0.00 0.00 0.41 0.00 0.00 41.25 41.01 2jnj s ASN 6 CO -0.25 -0.43 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.02 2jnj s VAL 7 N 1.97 2.33 0.15 1.60 1.01 -1.26 -5.12 120.40 121.08 2jnj s VAL 7 Ca 0.09 -0.91 -0.25 0.00 0.00 0.00 0.00 61.98 60.91 2jnj s VAL 7 Cb -0.16 -1.93 0.06 0.00 0.00 0.00 0.00 36.38 34.34 2jnj s VAL 7 CO -0.33 0.54 0.95 -1.48 0.00 0.00 0.00 175.10 174.79 2jnj s LEU 8 N 0.58 -0.18 -0.04 3.92 2.34 -1.26 -5.17 118.68 118.87 2jnj s LEU 8 Ca -0.12 -0.40 0.06 0.00 0.06 0.00 0.00 54.13 53.73 2jnj s LEU 8 Cb -0.16 2.18 -0.02 0.00 -0.56 0.00 0.00 46.19 47.62 2jnj s LEU 8 CO 0.04 -0.91 -0.22 -0.75 -1.06 0.00 0.00 176.35 173.45 2jnj s LYS 9 N -3.30 2.34 0.00 1.48 2.36 -1.26 -5.01 119.74 116.35 2jnj s LYS 9 Ca 0.12 -0.85 0.00 0.00 -2.55 0.00 0.00 55.97 52.70 2jnj s LYS 9 Cb -0.02 -2.18 0.00 0.00 -1.05 0.00 0.00 37.83 34.58 2jnj s LYS 9 CO 0.02 0.54 0.00 0.41 1.55 0.00 0.00 175.35 177.87 2jnj n GLY 10 N 2.51 -0.52 3.09 5.54 0.00 -1.26 -4.70 105.19 109.85 2jnj n GLY 10 Ca -0.17 0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 2jnj n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jnj s VAL 11 N 0.00 1.20 -0.05 1.61 1.01 0.66 -4.75 120.40 120.08 2jnj s VAL 11 Ca 0.00 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.28 2jnj s VAL 11 Cb 0.00 -1.04 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 2jnj s VAL 11 CO 0.00 0.35 0.29 -0.22 0.00 0.00 0.00 175.10 175.52 2jnj s LEU 12 N 0.07 4.43 -0.05 3.92 2.96 -1.26 -0.75 118.68 128.00 2jnj s LEU 12 Ca -0.03 0.73 0.03 0.00 -0.22 0.00 0.00 54.13 54.64 2jnj s LEU 12 Cb -0.10 -2.37 0.00 0.00 0.50 0.00 0.00 46.19 44.22 2jnj s LEU 12 CO 0.01 0.36 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.63 2jnj s ILE 13 N -1.07 1.26 -0.09 6.68 -1.09 0.55 -4.97 121.20 122.47 2jnj s ILE 13 Ca 0.20 -0.59 -0.01 0.00 -2.23 0.00 0.00 60.65 58.02 2jnj s ILE 13 Cb -0.14 -1.11 0.03 0.00 -1.58 0.00 0.00 42.46 39.65 2jnj s ILE 13 CO 0.10 0.38 -0.01 -1.83 -1.23 0.00 0.00 174.94 172.34 2jnj s GLU 14 N 0.35 0.76 0.00 2.79 -1.05 -1.26 -0.89 118.70 119.40 2jnj s GLU 14 Ca -0.09 0.01 0.00 0.00 -0.15 0.00 0.00 54.97 54.74 2jnj s GLU 14 Cb -0.13 -1.15 0.00 0.00 -0.44 0.00 0.00 34.13 32.41 2jnj s GLU 14 CO 0.03 -0.32 0.00 0.00 0.95 0.00 0.00 175.26 175.92 2jnj s ASP 16 N -1.61 -0.38 0.00 0.00 -4.77 -1.26 -5.03 116.67 103.62 2jnj s ASP 16 Ca 0.00 0.70 0.12 0.00 -3.30 0.00 0.00 52.55 50.06 2jnj s ASP 16 Cb 0.00 0.64 0.52 0.00 -1.09 0.00 0.00 42.92 42.99 2jnj s ASP 16 CO 0.00 -0.15 1.34 -2.65 0.70 0.00 0.00 175.17 174.42 2jnj n PRO 17 N 3.59 0.04 -0.07 2.11 -0.02 -1.26 -1.84 135.00 137.55 2jnj n PRO 17 Ca -0.19 0.27 -0.14 0.00 -2.02 0.00 0.00 63.50 61.42 2jnj n PRO 17 Cb 0.56 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.52 2jnj n PRO 17 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jnj h ALA 18 N 2.44 0.52 -0.17 3.55 0.00 -1.94 -3.08 119.26 120.58 2jnj h ALA 18 Ca 0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 2jnj h ALA 18 Cb 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2jnj h ALA 18 CO 0.00 0.68 0.06 0.00 0.00 0.00 0.00 179.25 179.99 2jnj h MET 19 N 0.66 0.23 -0.42 0.00 -0.00 -1.77 -1.45 114.93 112.17 2jnj h MET 19 Ca 0.02 -0.02 0.05 0.00 -0.00 0.00 0.00 59.70 59.75 2jnj h MET 19 Cb 1.12 -0.05 -0.04 0.00 -0.00 0.00 0.00 31.60 32.63 2jnj h MET 19 CO 0.12 0.20 0.17 -0.22 -0.00 0.00 0.00 176.91 177.18 2jnj h LYS 20 N 0.23 0.33 -0.22 -0.10 1.63 -1.62 0.13 116.57 116.95 2jnj h LYS 20 Ca 0.06 -0.02 -0.18 0.00 -0.85 0.00 0.00 60.65 59.66 2jnj h LYS 20 Cb 0.07 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2jnj h LYS 20 CO -0.01 0.22 -0.56 1.96 -3.45 0.00 0.00 179.45 177.61 2jnj h GLN 21 N 0.34 0.77 -0.16 1.90 4.20 -1.31 0.12 115.11 120.96 2jnj h GLN 21 Ca 0.19 -0.54 -0.12 0.00 0.06 0.00 0.00 58.65 58.25 2jnj h GLN 21 Cb 0.16 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 2jnj h GLN 21 CO -0.18 1.16 -0.40 0.27 -0.67 0.00 0.00 178.83 179.01 2jnj h PHE 22 N 0.51 0.44 -0.94 2.96 -5.15 -1.30 -2.63 116.94 110.81 2jnj h PHE 22 Ca -0.01 -0.12 0.01 0.00 -0.20 0.00 0.00 57.97 57.65 2jnj h PHE 22 Cb 1.18 -0.10 -0.05 0.00 0.22 0.00 0.00 35.95 37.21 2jnj h PHE 22 CO 0.08 0.72 0.62 1.25 -2.00 0.00 0.00 178.31 178.99 2jnj h LEU 23 N 0.31 1.08 -0.32 2.10 5.85 -0.33 0.24 115.31 124.24 2jnj h LEU 23 Ca 0.03 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2jnj h LEU 23 Cb 0.84 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 2jnj h LEU 23 CO 0.07 0.78 0.15 -0.07 -0.34 0.00 0.00 178.44 179.03 2jnj h LEU 24 N 1.27 0.42 -0.34 2.25 3.38 -0.82 0.87 115.31 122.34 2jnj h LEU 24 Ca 0.35 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2jnj h LEU 24 Cb -0.14 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2jnj h LEU 24 CO -0.08 0.42 0.23 0.22 0.09 0.00 0.00 178.44 179.32 2jnj h TYR 25 N 0.38 0.43 -0.29 1.13 3.20 -1.06 0.28 116.97 121.04 2jnj h TYR 25 Ca 0.11 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.91 2jnj h TYR 25 Cb 0.12 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 2jnj h TYR 25 CO -0.02 0.28 -0.15 1.25 -1.64 0.00 0.00 178.16 177.88 2jnj h LEU 26 N 0.46 0.49 -0.17 2.82 7.12 -0.33 0.09 115.31 125.79 2jnj h LEU 26 Ca 0.13 -0.14 -0.08 0.00 0.13 0.00 0.00 57.88 57.92 2jnj h LEU 26 Cb -0.05 -0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 39.95 2jnj h LEU 26 CO -0.03 0.67 -0.22 -0.78 -0.13 0.00 0.00 178.44 177.96 2jnj h ASP 27 N 0.46 0.48 -0.39 1.25 3.58 -0.20 0.20 116.42 121.81 2jnj h ASP 27 Ca 0.08 -0.51 -0.15 0.00 0.42 0.00 0.00 57.03 56.88 2jnj h ASP 27 Cb 0.54 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 2jnj h ASP 27 CO 0.03 0.89 -0.32 1.05 -2.88 0.00 0.00 179.24 178.02 2jnj h GLU 28 N 0.09 0.93 -0.04 0.28 4.11 -0.72 -3.19 114.58 116.03 2jnj h GLU 28 Ca 0.02 -0.45 -0.04 0.00 0.07 0.00 0.00 59.36 58.96 2jnj h GLU 28 Cb 0.78 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2jnj h GLU 28 CO 0.05 1.10 -0.13 1.03 0.07 0.00 0.00 179.01 181.13 2jnj h SER 29 N 0.78 0.19 -6.36 3.06 0.87 -1.02 -3.49 113.55 107.58 2jnj h SER 29 Ca 0.08 -0.61 -0.25 0.00 -1.23 0.00 0.00 61.79 59.78 2jnj h SER 29 Cb 0.90 -0.06 0.01 0.00 -0.44 0.00 0.00 62.40 62.81 2jnj h SER 29 CO 0.08 0.77 -1.11 -0.46 -0.53 0.00 0.00 176.83 175.58 2jnj n ASN 30 N -4.63 -5.67 0.24 6.23 0.23 0.70 -4.88 115.26 107.48 2jnj n ASN 30 Ca -0.08 0.03 0.11 0.00 -0.53 0.00 0.00 54.58 54.10 2jnj n ASN 30 Cb 0.38 -1.53 0.56 0.00 -2.08 0.00 0.00 39.78 37.12 2jnj n ASN 30 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jnj h ALA 31 N 2.55 1.13 0.00 -2.53 0.00 -1.93 -2.53 119.26 115.95 2jnj h ALA 31 Ca -0.36 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2jnj h ALA 31 Cb 1.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2jnj h ALA 31 CO 0.14 0.24 -0.20 1.28 0.00 0.00 0.00 179.25 180.71 2jnj n LEU 32 N -3.51 0.51 -2.86 0.00 4.77 -1.26 -4.95 117.00 109.71 2jnj n LEU 32 Ca -0.01 0.40 -0.15 0.00 -0.03 0.00 0.00 56.01 56.23 2jnj n LEU 32 Cb 0.35 -0.33 0.07 0.00 -2.33 0.00 0.00 43.42 41.18 2jnj n LEU 32 CO 0.32 -0.06 0.12 0.61 -1.33 0.00 0.00 177.39 177.05 2jnj n GLY 33 N 1.40 -0.18 3.18 -0.72 0.00 -0.96 -5.03 105.19 102.88 2jnj n GLY 33 Ca 0.05 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 2jnj n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jnj s LYS 34 N -5.34 0.98 -0.19 1.61 0.00 -1.26 -5.14 119.74 110.39 2jnj s LYS 34 Ca 0.14 -1.40 -0.00 0.00 0.00 0.00 0.00 55.97 54.71 2jnj s LYS 34 Cb -0.06 0.27 0.05 0.00 0.00 0.00 0.00 37.83 38.08 2jnj s LYS 34 CO 0.56 -0.29 -0.05 0.15 0.00 0.00 0.00 175.35 175.72 2jnj s LYS 35 N -4.04 1.44 -0.26 1.78 1.02 -1.26 -4.78 119.74 113.64 2jnj s LYS 35 Ca 0.24 -0.65 -0.03 0.00 0.02 0.00 0.00 55.97 55.55 2jnj s LYS 35 Cb 0.07 -2.19 -0.15 0.00 -0.52 0.00 0.00 37.83 35.04 2jnj s LYS 35 CO 0.02 -0.49 -0.27 1.97 -0.92 0.00 0.00 175.35 175.66 2jnj n PHE 36 N 4.83 0.00 -2.49 3.18 -1.74 -1.26 -4.79 117.46 115.19 2jnj n PHE 36 Ca -0.12 0.00 -0.42 0.00 -0.56 0.00 0.00 57.45 56.35 2jnj n PHE 36 Cb 0.47 -0.97 -0.03 0.00 1.52 0.00 0.00 39.48 40.47 2jnj n PHE 36 CO 0.00 0.00 0.00 0.42 -0.56 0.00 0.00 176.76 176.62 2jnj s ILE 37 N -2.50 3.87 -0.15 1.97 1.01 -1.26 -3.37 121.20 120.77 2jnj s ILE 37 Ca -0.35 0.72 -0.18 0.00 0.00 0.00 0.00 60.65 60.83 2jnj s ILE 37 Cb 0.11 -4.64 -0.16 0.00 0.01 0.00 0.00 42.46 37.78 2jnj s ILE 37 CO 0.54 -1.36 0.36 0.40 0.00 0.00 0.00 174.94 174.89 2jnj h ILE 38 N 6.23 0.99 -3.01 2.92 2.04 -1.35 -3.48 117.51 121.85 2jnj h ILE 38 Ca -0.26 -1.85 -0.15 0.00 1.00 0.00 0.00 64.86 63.60 2jnj h ILE 38 Cb 1.07 1.98 -0.25 0.00 -0.74 0.00 0.00 36.82 38.88 2jnj h ILE 38 CO 1.20 0.34 -0.37 0.00 0.00 0.00 0.00 178.15 179.32 2jnj s GLN 39 N -2.10 0.35 0.07 2.37 -2.07 -1.23 -5.02 119.66 112.02 2jnj s GLN 39 Ca -0.16 0.41 -0.28 0.00 -1.82 0.00 0.00 55.36 53.50 2jnj s GLN 39 Cb 0.00 0.17 -0.05 0.00 -1.09 0.00 0.00 33.01 32.04 2jnj s GLN 39 CO 0.46 -0.04 0.89 0.16 -1.32 0.00 0.00 175.29 175.43 2jnj s ASP 40 N 0.14 7.37 -0.50 12.60 1.47 -1.26 -1.22 116.67 135.25 2jnj s ASP 40 Ca -0.00 1.64 -0.00 0.00 1.18 0.00 0.00 52.55 55.36 2jnj s ASP 40 Cb -0.02 -2.54 0.13 0.00 -0.34 0.00 0.00 42.92 40.15 2jnj s ASP 40 CO 0.00 -0.07 0.28 0.27 0.68 0.00 0.00 175.17 176.34 2jnj s ILE 41 N 0.14 3.13 0.18 2.11 -0.00 -0.21 -4.97 121.20 121.58 2jnj s ILE 41 Ca 0.44 -2.74 0.00 0.00 -0.00 0.00 0.00 60.65 58.36 2jnj s ILE 41 Cb -0.22 -3.12 0.00 0.00 -0.00 0.00 0.00 42.46 39.12 2jnj s ILE 41 CO 0.27 -0.77 0.00 -0.67 -0.00 0.00 0.00 174.94 173.77 2jnj n ASP 42 N 3.78 -3.38 0.26 4.36 2.03 -1.26 -0.65 116.55 121.68 2jnj n ASP 42 Ca 0.04 0.37 0.16 0.00 0.52 0.00 0.00 54.79 55.88 2jnj n ASP 42 Cb 0.38 -1.80 0.88 0.00 -0.72 0.00 0.00 41.12 39.85 2jnj n ASP 42 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2jnj h ASP 43 N -0.54 0.00 0.03 1.67 3.58 -1.98 -3.21 116.42 115.97 2jnj h ASP 43 Ca -0.03 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.12 2jnj h ASP 43 Cb 0.53 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.54 2jnj h ASP 43 CO 0.02 0.00 -1.67 0.41 -2.88 0.00 0.00 179.24 175.12 2jnj n THR 44 N -3.82 1.59 -3.44 2.25 -1.04 -1.26 -4.60 114.28 103.96 2jnj n THR 44 Ca -0.01 -0.25 -0.31 0.00 -2.04 0.00 0.00 64.05 61.44 2jnj n THR 44 Cb 0.20 -1.92 -0.05 0.00 -1.82 0.00 0.00 70.33 66.74 2jnj n THR 44 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2jnj s HIS 45 N -2.44 3.44 0.04 -1.42 3.76 0.17 -4.52 115.29 114.33 2jnj s HIS 45 Ca -0.29 0.77 0.06 0.00 -0.15 0.00 0.00 55.06 55.45 2jnj s HIS 45 Cb 0.07 -2.19 -0.02 0.00 1.11 0.00 0.00 32.58 31.56 2jnj s HIS 45 CO 0.62 0.28 -0.17 0.08 -0.85 0.00 0.00 174.74 174.70 2jnj s VAL 46 N -1.84 1.34 -0.13 -0.90 1.01 -0.06 -1.04 120.40 118.77 2jnj s VAL 46 Ca 0.46 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 61.40 2jnj s VAL 46 Cb -0.11 -1.18 0.01 0.00 0.00 0.00 0.00 36.38 35.09 2jnj s VAL 46 CO 0.23 0.10 -0.22 0.12 0.00 0.00 0.00 175.10 175.34 2jnj s PHE 47 N -0.80 2.65 0.07 5.22 5.36 -0.36 -0.33 117.98 129.79 2jnj s PHE 47 Ca 0.04 -1.21 0.08 0.00 -0.96 0.00 0.00 56.93 54.88 2jnj s PHE 47 Cb -0.08 -1.79 -0.03 0.00 -0.34 0.00 0.00 43.02 40.78 2jnj s PHE 47 CO 0.01 -0.53 -0.22 0.54 -1.46 0.00 0.00 175.22 173.56 2jnj s VAL 48 N 0.66 1.79 -0.03 3.12 0.11 0.07 -0.95 120.40 125.17 2jnj s VAL 48 Ca -0.10 -1.36 -0.27 0.00 -2.93 0.00 0.00 61.98 57.31 2jnj s VAL 48 Cb -0.16 -1.57 -0.03 0.00 -1.53 0.00 0.00 36.38 33.08 2jnj s VAL 48 CO 0.02 0.14 0.86 -0.51 -3.33 0.00 0.00 175.10 172.28 2jnj s ILE 49 N -0.92 4.94 0.28 7.04 -1.16 -1.22 -0.24 121.20 129.93 2jnj s ILE 49 Ca 0.08 1.79 -0.03 0.00 -0.51 0.00 0.00 60.65 61.99 2jnj s ILE 49 Cb -0.09 -4.20 0.24 0.00 0.61 0.00 0.00 42.46 39.01 2jnj s ILE 49 CO 0.03 0.19 1.93 0.00 -2.81 0.00 0.00 174.94 174.28 2jnj h ALA 50 N 6.80 1.33 -0.00 1.50 0.00 -1.85 -3.18 119.26 123.86 2jnj h ALA 50 Ca -0.41 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2jnj h ALA 50 Cb 1.21 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 2jnj h ALA 50 CO 0.75 0.57 0.03 0.93 0.00 0.00 0.00 179.25 181.54 2jnj h GLU 51 N 1.11 0.00 -0.04 0.00 4.39 -1.97 -1.73 114.58 116.34 2jnj h GLU 51 Ca 0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.99 2jnj h GLU 51 Cb -0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2jnj h GLU 51 CO -0.05 0.00 0.00 1.47 -1.16 0.00 0.00 179.01 179.27 2jnj n LEU 52 N -3.17 1.64 0.21 1.33 -0.00 -1.20 -4.63 117.00 111.18 2jnj n LEU 52 Ca -0.03 -1.26 0.05 0.00 -0.00 0.00 0.00 56.01 54.78 2jnj n LEU 52 Cb 0.10 -0.02 0.47 0.00 -0.00 0.00 0.00 43.42 43.97 2jnj n LEU 52 CO 0.21 0.37 0.83 1.62 -0.00 0.00 0.00 177.39 180.42 2jnj h VAL 53 N 0.88 1.07 -0.84 1.47 3.04 -1.37 -2.18 116.25 118.32 2jnj h VAL 53 Ca 0.00 -0.94 0.17 0.00 -1.01 0.00 0.00 66.70 64.92 2jnj h VAL 53 Cb 0.30 1.52 -0.06 0.00 -2.01 0.00 0.00 31.29 31.04 2jnj h VAL 53 CO 0.00 0.26 0.55 -1.13 -1.01 0.00 0.00 177.57 176.24 2jnj h ASN 54 N 0.00 0.44 0.17 3.17 -1.24 -1.82 0.19 115.58 116.48 2jnj h ASN 54 Ca -0.00 0.03 -0.14 0.00 0.71 0.00 0.00 56.30 56.90 2jnj h ASN 54 Cb 0.50 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.49 2jnj h ASN 54 CO 0.03 0.21 -0.53 -0.37 -1.29 0.00 0.00 177.43 175.49 2jnj h VAL 55 N 0.46 1.34 -0.31 2.57 -1.51 -1.74 -2.56 116.25 114.51 2jnj h VAL 55 Ca 0.42 -1.79 -0.11 0.00 -1.23 0.00 0.00 66.70 63.99 2jnj h VAL 55 Cb 0.95 1.81 -0.01 0.00 -2.13 0.00 0.00 31.29 31.90 2jnj h VAL 55 CO -0.16 0.54 -0.27 -0.07 -1.23 0.00 0.00 177.57 176.38 2jnj h LEU 56 N 0.31 0.63 -0.36 4.19 -0.00 -0.89 0.15 115.31 119.34 2jnj h LEU 56 Ca 0.01 -0.23 -0.02 0.00 -0.00 0.00 0.00 57.88 57.63 2jnj h LEU 56 Cb 1.03 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 41.50 2jnj h LEU 56 CO 0.09 0.88 0.14 1.56 -0.00 0.00 0.00 178.44 181.11 2jnj h GLN 57 N 0.54 0.54 -0.16 1.13 1.08 -0.37 0.18 115.11 118.05 2jnj h GLN 57 Ca 0.07 -0.10 -0.18 0.00 -1.45 0.00 0.00 58.65 56.98 2jnj h GLN 57 Cb 0.75 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.09 2jnj h GLN 57 CO 0.06 0.54 -0.65 1.05 -0.95 0.00 0.00 178.83 178.87 2jnj h GLU 58 N 0.44 0.61 -0.66 1.46 4.11 -1.43 -0.81 114.58 118.30 2jnj h GLU 58 Ca 0.12 -0.44 0.03 0.00 0.07 0.00 0.00 59.36 59.14 2jnj h GLU 58 Cb 0.20 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 2jnj h GLU 58 CO -0.01 1.06 0.41 -0.09 0.07 0.00 0.00 179.01 180.45 2jnj h ARG 59 N 0.44 0.79 -0.22 1.06 9.65 -0.29 0.22 114.38 126.03 2jnj h ARG 59 Ca -0.02 -0.05 -0.16 0.00 -1.10 0.00 0.00 59.98 58.66 2jnj h ARG 59 Cb 1.23 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 29.63 2jnj h ARG 59 CO 0.12 0.52 -0.51 0.28 2.80 0.00 0.00 179.97 183.18 2jnj h VAL 60 N 0.81 1.31 -0.36 0.20 2.07 -0.61 -0.77 116.25 118.90 2jnj h VAL 60 Ca 0.26 -1.73 -0.07 0.00 0.82 0.00 0.00 66.70 65.97 2jnj h VAL 60 Cb 0.00 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 2jnj h VAL 60 CO -0.10 0.55 -0.06 1.23 0.02 0.00 0.00 177.57 179.21 2jnj h GLY 61 N 1.00 0.74 1.99 2.17 0.00 -0.25 -2.74 103.07 105.97 2jnj h GLY 61 Ca 0.02 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.76 2jnj h GLY 61 CO 0.10 0.54 -0.01 0.83 0.00 0.00 0.00 176.54 178.00 2jnj h GLU 62 N 0.48 0.00 -0.01 4.80 4.39 -0.62 -3.20 114.58 120.43 2jnj h GLU 62 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2jnj h GLU 62 Cb 0.55 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2jnj h GLU 62 CO 0.03 0.00 0.01 1.25 -1.16 0.00 0.00 179.01 179.14 2jnj h LEU 63 N 0.00 0.00 -1.85 1.33 5.85 -0.81 -0.02 115.31 119.81 2jnj h LEU 63 Ca 0.00 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.73 2jnj h LEU 63 Cb 0.99 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 2jnj h LEU 63 CO 0.00 0.00 0.13 0.24 -0.34 0.00 0.00 178.44 178.47 2jnj h MET 64 N 0.00 0.20 0.01 1.25 2.86 -1.57 -2.58 114.93 115.10 2jnj h MET 64 Ca 0.00 -0.01 -0.30 0.00 -2.06 0.00 0.00 59.70 57.33 2jnj h MET 64 Cb 0.02 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.60 2jnj h MET 64 CO -0.00 0.13 -1.63 -0.25 1.06 0.00 0.00 176.91 176.22 2jnj n ASP 65 N -4.51 1.91 0.00 1.22 8.00 -0.18 -5.01 116.55 117.98 2jnj n ASP 65 Ca 0.00 0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.87 2jnj n ASP 65 Cb 0.12 -0.91 0.00 0.00 -0.02 0.00 0.00 41.12 40.31 2jnj n ASP 65 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2jnj n GLN 66 N -4.25 0.00 0.00 -1.24 0.00 -0.26 -5.13 117.38 106.50 2jnj n GLN 66 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.63 2jnj n GLN 66 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 30.24 31.01 2jnj n GLN 66 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2jnj n ASN 67 N 0.00 0.00 -3.18 1.69 6.94 -0.64 -3.75 115.26 116.32 2jnj n ASN 67 Ca 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 54.58 54.58 2jnj n ASN 67 Cb 0.00 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.41 2jnj n ASN 67 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jnj s ALA 68 N -2.00 -2.28 -0.02 -2.53 0.00 -1.26 -4.91 121.76 108.76 2jnj s ALA 68 Ca 0.00 0.73 0.03 0.00 0.00 0.00 0.00 51.96 52.71 2jnj s ALA 68 Cb 0.00 -2.56 0.04 0.00 0.00 0.00 0.00 23.12 20.60 2jnj s ALA 68 CO 0.00 -1.94 0.91 1.97 0.00 0.00 0.00 175.76 176.70 2jnj n PHE 69 N 5.11 0.00 0.70 0.00 -1.74 -1.26 -4.75 117.46 115.52 2jnj n PHE 69 Ca 0.07 -0.43 -0.02 0.00 -0.56 0.00 0.00 57.45 56.51 2jnj n PHE 69 Cb 0.54 -0.05 0.04 0.00 1.52 0.00 0.00 39.48 41.53 2jnj n PHE 69 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 2jnj n SER 70 N -0.49 2.56 -4.10 5.98 7.64 -1.26 -4.55 113.62 119.40 2jnj n SER 70 Ca 0.02 -2.19 -0.36 0.00 1.01 0.00 0.00 58.87 57.35 2jnj n SER 70 Cb 0.39 -0.54 -0.08 0.00 -1.01 0.00 0.00 64.21 62.96 2jnj n SER 70 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jnj s LEU 71 N -0.44 5.36 0.00 -3.43 2.01 -1.26 -4.54 118.68 116.38 2jnj s LEU 71 Ca 0.08 -3.16 0.00 0.00 0.01 0.00 0.00 54.13 51.06 2jnj s LEU 71 Cb 0.06 -1.87 0.00 0.00 0.01 0.00 0.00 46.19 44.39 2jnj s LEU 71 CO 0.02 -0.31 0.00 1.07 1.01 0.00 0.00 176.35 178.14 2jnj n THR 72 N 3.08 0.00 -2.03 5.49 5.66 -1.26 -4.83 114.28 120.39 2jnj n THR 72 Ca 0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.13 2jnj n THR 72 Cb 0.38 0.12 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 2jnj n THR 72 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 2jnj n GLN 73 N 0.00 0.00 0.00 1.09 7.27 -1.26 -5.32 117.38 119.16 2jnj n GLN 73 Ca 0.00 -0.90 0.00 0.00 0.07 0.00 0.00 57.00 56.17 2jnj n GLN 73 Cb 0.00 -0.38 0.00 0.00 2.41 0.00 0.00 30.24 32.27 2jnj n GLN 73 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76