#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jnj s SER 2 N 0.00 1.66 0.00 1.61 0.15 -1.26 -5.04 113.70 110.81 2jnj s SER 2 Ca 0.00 -1.46 0.00 0.00 0.70 0.00 0.00 55.95 55.19 2jnj s SER 2 Cb 0.00 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 2jnj s SER 2 CO 0.00 -0.77 0.00 1.41 1.20 0.00 0.00 173.24 175.08 2jnj n HIS 3 N -0.58 0.00 0.00 3.44 8.25 -1.26 -5.02 115.22 120.05 2jnj n HIS 3 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2jnj n HIS 3 Cb 0.66 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.77 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 -1.37 0.00 -1.48 -0.41 2.00 -1.26 -5.10 117.12 109.51 2jnj n MET 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2jnj n MET 4 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.34 2jnj n MET 4 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2jnj n VAL 5 N -0.70 -0.57 -3.63 2.03 0.31 -1.26 -5.00 118.33 109.51 2jnj n VAL 5 Ca 0.00 0.06 -0.29 0.00 -0.01 0.00 0.00 64.34 64.09 2jnj n VAL 5 Cb 0.00 -1.19 -0.15 0.00 -0.91 0.00 0.00 33.84 31.59 2jnj n VAL 5 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2jnj s ASN 6 N -0.11 3.73 -0.10 4.52 0.01 -1.26 -5.10 114.94 116.63 2jnj s ASN 6 Ca 0.00 -1.58 0.04 0.00 -0.71 0.00 0.00 52.86 50.60 2jnj s ASN 6 Cb 0.00 -0.62 -0.00 0.00 0.41 0.00 0.00 41.25 41.03 2jnj s ASN 6 CO 0.00 -0.41 -0.22 0.54 -1.51 0.00 0.00 177.10 175.50 2jnj s VAL 7 N 1.72 2.24 0.27 1.60 0.11 -1.26 -5.11 120.40 119.96 2jnj s VAL 7 Ca 0.10 -0.96 -0.18 0.00 -2.93 0.00 0.00 61.98 58.02 2jnj s VAL 7 Cb -0.18 -1.87 0.01 0.00 -1.53 0.00 0.00 36.38 32.82 2jnj s VAL 7 CO -0.27 0.56 0.64 -1.48 -3.33 0.00 0.00 175.10 171.21 2jnj s LEU 8 N 0.28 -0.04 -0.10 2.54 2.34 -1.26 -5.15 118.68 117.28 2jnj s LEU 8 Ca -0.16 -0.75 -0.10 0.00 0.06 0.00 0.00 54.13 53.19 2jnj s LEU 8 Cb -0.17 2.39 -0.05 0.00 -0.56 0.00 0.00 46.19 47.81 2jnj s LEU 8 CO 0.08 -1.29 0.21 -0.75 -1.06 0.00 0.00 176.35 173.54 2jnj s LYS 9 N -3.87 3.69 0.00 1.48 2.20 -1.26 -5.00 119.74 116.98 2jnj s LYS 9 Ca 0.15 0.00 0.00 0.00 -0.36 0.00 0.00 55.97 55.76 2jnj s LYS 9 Cb -0.04 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 33.04 2jnj s LYS 9 CO 0.08 0.66 0.00 0.41 -0.36 0.00 0.00 175.35 176.14 2jnj n GLY 10 N 2.22 -0.47 3.15 5.54 0.00 -1.26 -4.72 105.19 109.65 2jnj n GLY 10 Ca -0.18 -0.70 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 2jnj n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jnj s VAL 11 N -4.00 1.58 -0.06 1.61 0.11 0.88 -4.44 120.40 116.08 2jnj s VAL 11 Ca 0.00 -0.79 -0.11 0.00 -2.93 0.00 0.00 61.98 58.15 2jnj s VAL 11 Cb 0.00 -1.36 -0.05 0.00 -1.53 0.00 0.00 36.38 33.44 2jnj s VAL 11 CO 0.00 0.45 0.29 -0.22 -3.33 0.00 0.00 175.10 172.29 2jnj s LEU 12 N 0.12 4.43 -0.06 2.54 2.96 -1.26 -1.94 118.68 125.45 2jnj s LEU 12 Ca -0.07 0.72 -0.00 0.00 -0.22 0.00 0.00 54.13 54.57 2jnj s LEU 12 Cb -0.13 -2.35 0.02 0.00 0.50 0.00 0.00 46.19 44.23 2jnj s LEU 12 CO 0.03 0.35 -0.03 -0.51 -1.32 0.00 0.00 176.35 174.88 2jnj s ILE 13 N -0.97 0.51 0.03 6.68 1.10 -0.59 -5.00 121.20 122.96 2jnj s ILE 13 Ca 0.20 -0.04 0.04 0.00 -0.51 0.00 0.00 60.65 60.34 2jnj s ILE 13 Cb -0.14 -0.59 -0.02 0.00 0.15 0.00 0.00 42.46 41.86 2jnj s ILE 13 CO 0.09 0.25 -0.13 -0.70 -2.11 0.00 0.00 174.94 172.33 2jnj s GLU 14 N 1.40 0.94 0.00 3.50 2.12 -1.26 -1.29 118.70 124.11 2jnj s GLU 14 Ca -0.03 -0.67 0.00 0.00 0.36 0.00 0.00 54.97 54.63 2jnj s GLU 14 Cb -0.13 -0.93 0.00 0.00 0.26 0.00 0.00 34.13 33.33 2jnj s GLU 14 CO -0.03 0.24 0.00 0.00 -0.54 0.00 0.00 175.26 174.93 2jnj s ASP 16 N 0.71 7.30 0.12 0.00 2.15 -1.26 -4.87 116.67 120.82 2jnj s ASP 16 Ca 0.00 2.19 0.02 0.00 0.43 0.00 0.00 52.55 55.19 2jnj s ASP 16 Cb 0.00 -2.62 0.13 0.00 -0.30 0.00 0.00 42.92 40.13 2jnj s ASP 16 CO 0.00 -0.14 0.78 -2.65 -0.17 0.00 0.00 175.17 172.99 2jnj n PRO 17 N 1.56 0.02 -0.20 4.34 -0.02 -1.26 -0.93 135.00 138.50 2jnj n PRO 17 Ca -0.00 0.28 0.01 0.00 -2.02 0.00 0.00 63.50 61.77 2jnj n PRO 17 Cb 0.45 -1.98 0.12 0.00 -0.02 0.00 0.00 33.50 32.07 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 0.58 0.75 -0.04 3.55 0.00 -1.96 -0.73 119.26 121.41 2jnj h ALA 18 Ca 0.00 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 2jnj h ALA 18 Cb 0.84 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2jnj h ALA 18 CO 0.00 -0.28 -0.52 0.00 0.00 0.00 0.00 179.25 178.45 2jnj h MET 19 N 0.30 0.11 -0.42 0.00 -0.00 -1.40 -2.70 114.93 110.82 2jnj h MET 19 Ca 0.32 -0.07 -0.00 0.00 -0.00 0.00 0.00 59.70 59.95 2jnj h MET 19 Cb 0.47 0.01 -0.02 0.00 -0.00 0.00 0.00 31.60 32.05 2jnj h MET 19 CO -0.38 0.61 0.25 -0.22 -0.00 0.00 0.00 176.91 177.16 2jnj h LYS 20 N 0.09 0.57 -0.10 -0.10 1.63 -1.34 0.22 116.57 117.53 2jnj h LYS 20 Ca -0.00 -0.06 -0.07 0.00 -0.85 0.00 0.00 60.65 59.67 2jnj h LYS 20 Cb 0.96 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.46 2jnj h LYS 20 CO 0.07 0.43 -0.27 1.96 -3.45 0.00 0.00 179.45 178.19 2jnj h GLN 21 N 0.55 0.19 -0.28 1.90 1.08 -1.03 -1.98 115.11 115.53 2jnj h GLN 21 Ca 0.15 -0.06 -0.12 0.00 -1.45 0.00 0.00 58.65 57.17 2jnj h GLN 21 Cb 0.01 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 2jnj h GLN 21 CO -0.03 0.45 -0.33 0.35 -0.95 0.00 0.00 178.83 178.33 2jnj h PHE 22 N 0.17 0.70 -0.39 2.96 3.57 -0.87 -2.27 116.94 120.81 2jnj h PHE 22 Ca 0.03 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.34 2jnj h PHE 22 Cb 0.57 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 2jnj h PHE 22 CO 0.01 0.86 0.21 -0.07 -2.23 0.00 0.00 178.31 177.08 2jnj h LEU 23 N 0.51 0.46 -0.46 0.59 -0.00 0.12 -0.30 115.31 116.24 2jnj h LEU 23 Ca 0.06 -0.03 -0.09 0.00 -0.00 0.00 0.00 57.88 57.83 2jnj h LEU 23 Cb 0.81 -0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 41.34 2jnj h LEU 23 CO 0.07 0.38 -0.05 -0.07 -0.00 0.00 0.00 178.44 178.77 2jnj h LEU 24 N 0.53 0.83 -0.78 1.67 3.38 -1.24 0.20 115.31 119.91 2jnj h LEU 24 Ca 0.14 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 2jnj h LEU 24 Cb 0.02 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 2jnj h LEU 24 CO -0.02 0.97 0.36 0.22 0.09 0.00 0.00 178.44 180.05 2jnj h TYR 25 N 0.68 1.15 -0.09 1.13 3.20 -0.74 -1.59 116.97 120.72 2jnj h TYR 25 Ca 0.12 -0.07 -0.14 0.00 3.14 0.00 0.00 58.73 61.79 2jnj h TYR 25 Cb 0.57 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 2jnj h TYR 25 CO 0.04 0.85 -0.56 -0.07 -1.64 0.00 0.00 178.16 176.78 2jnj h LEU 26 N 1.12 0.30 -0.60 2.82 -0.00 -0.83 -1.22 115.31 116.90 2jnj h LEU 26 Ca 0.27 -0.16 -0.01 0.00 -0.00 0.00 0.00 57.88 57.97 2jnj h LEU 26 Cb 0.15 -0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 40.69 2jnj h LEU 26 CO -0.03 0.80 0.33 -0.78 -0.00 0.00 0.00 178.44 178.76 2jnj h ASP 27 N 0.21 0.74 0.64 -0.43 3.58 -0.17 0.50 116.42 121.50 2jnj h ASP 27 Ca 0.00 -0.09 -0.21 0.00 0.42 0.00 0.00 57.03 57.15 2jnj h ASP 27 Cb 1.05 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.90 2jnj h ASP 27 CO 0.09 0.62 -0.95 1.05 -2.88 0.00 0.00 179.24 177.17 2jnj h GLU 28 N 0.81 0.18 -0.00 0.28 -0.00 -1.18 -3.30 114.58 111.37 2jnj h GLU 28 Ca 0.21 -0.23 -0.07 0.00 -0.00 0.00 0.00 59.36 59.28 2jnj h GLU 28 Cb 0.04 0.07 0.01 0.00 -0.00 0.00 0.00 28.75 28.87 2jnj h GLU 28 CO -0.03 1.00 -0.26 1.03 -0.00 0.00 0.00 179.01 180.74 2jnj h SER 29 N 0.09 0.24 -5.58 3.06 0.87 -1.14 -3.50 113.55 107.59 2jnj h SER 29 Ca -0.05 -0.77 -0.07 0.00 -1.23 0.00 0.00 61.79 59.67 2jnj h SER 29 Cb 1.61 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.50 2jnj h SER 29 CO 0.14 0.97 -0.80 -3.20 -0.53 0.00 0.00 176.83 173.42 2jnj n ASN 30 N -4.49 -7.41 0.21 6.23 2.85 0.18 -4.94 115.26 107.88 2jnj n ASN 30 Ca -0.10 0.62 0.07 0.00 -0.11 0.00 0.00 54.58 55.06 2jnj n ASN 30 Cb 0.51 -4.36 0.43 0.00 1.24 0.00 0.00 39.78 37.60 2jnj n ASN 30 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jnj h ALA 31 N 2.42 1.11 0.00 5.20 0.00 -1.89 -3.29 119.26 122.80 2jnj h ALA 31 Ca -0.10 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2jnj h ALA 31 Cb 0.83 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2jnj h ALA 31 CO 0.16 0.38 -1.72 1.28 0.00 0.00 0.00 179.25 179.35 2jnj n LEU 32 N -3.61 0.12 0.00 0.00 7.99 -1.26 -4.96 117.00 115.27 2jnj n LEU 32 Ca -0.01 -0.07 0.00 0.00 -0.01 0.00 0.00 56.01 55.92 2jnj n LEU 32 Cb 0.43 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.74 2jnj n LEU 32 CO 0.35 0.03 0.00 0.61 -1.51 0.00 0.00 177.39 176.87 2jnj n GLY 33 N 1.43 0.74 2.99 -0.72 0.00 -1.24 -5.04 105.19 103.34 2jnj n GLY 33 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.69 0.39 -0.34 1.61 -2.85 -1.26 -5.11 119.74 111.49 2jnj s LYS 34 Ca 0.00 -0.45 -0.23 0.00 -1.00 0.00 0.00 55.97 54.30 2jnj s LYS 34 Cb 0.00 -0.23 0.00 0.00 -2.06 0.00 0.00 37.83 35.55 2jnj s LYS 34 CO 0.00 0.05 0.76 0.15 0.10 0.00 0.00 175.35 176.40 2jnj s LYS 35 N -0.88 3.83 0.16 1.78 1.02 -1.26 -4.86 119.74 119.54 2jnj s LYS 35 Ca -0.06 0.38 -0.02 0.00 0.02 0.00 0.00 55.97 56.30 2jnj s LYS 35 Cb -0.06 -3.77 -0.01 0.00 -0.52 0.00 0.00 37.83 33.47 2jnj s LYS 35 CO -0.00 -0.75 1.38 0.27 -0.92 0.00 0.00 175.35 175.32 2jnj h PHE 36 N 8.32 0.53 -3.54 3.18 -0.00 -1.96 -3.41 116.94 120.07 2jnj h PHE 36 Ca -0.25 -0.26 -0.60 0.00 -0.00 0.00 0.00 57.97 56.86 2jnj h PHE 36 Cb 1.10 -0.07 -0.11 0.00 -0.00 0.00 0.00 35.95 36.87 2jnj h PHE 36 CO 0.78 1.05 0.61 -1.50 -0.00 0.00 0.00 178.31 179.25 2jnj s ILE 37 N -3.43 4.42 -0.13 0.88 -1.16 -1.26 -4.01 121.20 116.51 2jnj s ILE 37 Ca -0.05 0.66 -0.17 0.00 -0.51 0.00 0.00 60.65 60.58 2jnj s ILE 37 Cb 0.10 -4.48 -0.15 0.00 0.61 0.00 0.00 42.46 38.54 2jnj s ILE 37 CO 0.85 -0.93 0.41 0.40 -2.81 0.00 0.00 174.94 172.86 2jnj h ILE 38 N 6.08 1.00 -3.72 2.00 5.03 -1.08 -3.48 117.51 123.34 2jnj h ILE 38 Ca -0.24 -1.77 -0.22 0.00 -0.12 0.00 0.00 64.86 62.50 2jnj h ILE 38 Cb 1.07 1.91 -0.27 0.00 -3.03 0.00 0.00 36.82 36.50 2jnj h ILE 38 CO 1.05 0.34 -0.71 0.00 -0.68 0.00 0.00 178.15 178.15 2jnj s GLN 39 N -1.96 0.03 -0.50 2.37 -2.07 -1.24 -5.02 119.66 111.27 2jnj s GLN 39 Ca -0.12 -0.03 -0.22 0.00 -1.82 0.00 0.00 55.36 53.18 2jnj s GLN 39 Cb -0.01 0.01 0.04 0.00 -1.09 0.00 0.00 33.01 31.96 2jnj s GLN 39 CO 0.40 -0.00 0.77 -0.51 -1.32 0.00 0.00 175.29 174.62 2jnj s ASP 40 N -0.09 6.32 -0.05 12.60 1.01 -1.26 -1.83 116.67 133.37 2jnj s ASP 40 Ca -0.01 -0.46 -0.14 0.00 0.71 0.00 0.00 52.55 52.65 2jnj s ASP 40 Cb -0.01 -2.36 -0.05 0.00 1.01 0.00 0.00 42.92 41.51 2jnj s ASP 40 CO -0.00 -0.99 0.37 0.27 0.21 0.00 0.00 175.17 175.03 2jnj s ILE 41 N 3.23 5.13 -0.06 0.77 -4.36 -0.63 -4.79 121.20 120.49 2jnj s ILE 41 Ca 0.24 0.75 -0.01 0.00 -0.26 0.00 0.00 60.65 61.37 2jnj s ILE 41 Cb -0.15 -3.68 -0.02 0.00 1.25 0.00 0.00 42.46 39.86 2jnj s ILE 41 CO 0.18 0.53 0.15 -0.67 0.24 0.00 0.00 174.94 175.37 2jnj n ASP 42 N 2.26 -0.07 0.00 4.36 2.03 -1.26 -0.48 116.55 123.38 2jnj n ASP 42 Ca -0.14 -0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.15 2jnj n ASP 42 Cb 0.52 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 2jnj n ASP 42 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2jnj n ASP 43 N 0.42 0.00 -0.00 1.67 2.03 -1.26 -3.85 116.55 115.56 2jnj n ASP 43 Ca 0.04 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.36 2jnj n ASP 43 Cb 0.01 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 2jnj n ASP 43 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2jnj n THR 44 N 0.00 0.00 -4.22 5.18 -1.04 -1.19 -4.83 114.28 108.18 2jnj n THR 44 Ca 0.00 -0.42 -0.28 0.00 -2.04 0.00 0.00 64.05 61.31 2jnj n THR 44 Cb 0.00 0.96 -0.09 0.00 -1.82 0.00 0.00 70.33 69.38 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 -1.29 2.78 0.01 -1.42 3.76 0.37 -4.14 115.29 115.36 2jnj s HIS 45 Ca 0.01 -0.15 0.03 0.00 -0.15 0.00 0.00 55.06 54.80 2jnj s HIS 45 Cb 0.02 -1.40 -0.01 0.00 1.11 0.00 0.00 32.58 32.29 2jnj s HIS 45 CO 0.09 0.48 -0.10 0.08 -0.85 0.00 0.00 174.74 174.44 2jnj s VAL 46 N -1.49 0.77 -0.13 -0.90 1.01 -0.41 -1.60 120.40 117.65 2jnj s VAL 46 Ca 0.25 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.60 2jnj s VAL 46 Cb -0.10 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.58 2jnj s VAL 46 CO 0.16 0.06 -0.15 0.12 0.00 0.00 0.00 175.10 175.30 2jnj s PHE 47 N -0.54 2.78 0.08 5.22 5.36 -0.76 -1.54 117.98 128.57 2jnj s PHE 47 Ca 0.01 -0.71 0.02 0.00 -0.96 0.00 0.00 56.93 55.29 2jnj s PHE 47 Cb -0.05 -1.83 -0.04 0.00 -0.34 0.00 0.00 43.02 40.76 2jnj s PHE 47 CO 0.00 -0.25 -0.06 0.54 -1.46 0.00 0.00 175.22 173.99 2jnj s VAL 48 N 0.36 0.59 -0.02 3.12 0.11 -0.82 -0.58 120.40 123.17 2jnj s VAL 48 Ca -0.12 -1.66 -0.23 0.00 -2.93 0.00 0.00 61.98 57.04 2jnj s VAL 48 Cb -0.16 -1.34 -0.05 0.00 -1.53 0.00 0.00 36.38 33.31 2jnj s VAL 48 CO 0.06 -0.74 0.68 -0.51 -3.33 0.00 0.00 175.10 171.26 2jnj s ILE 49 N -2.98 4.92 0.37 7.04 2.07 -1.26 -0.08 121.20 131.28 2jnj s ILE 49 Ca 0.05 1.42 0.09 0.00 -1.41 0.00 0.00 60.65 60.79 2jnj s ILE 49 Cb 0.01 -4.02 0.31 0.00 0.13 0.00 0.00 42.46 38.89 2jnj s ILE 49 CO -0.04 0.34 1.93 0.00 -1.91 0.00 0.00 174.94 175.26 2jnj h ALA 50 N 6.11 1.83 0.00 1.50 0.00 -1.85 -2.28 119.26 124.57 2jnj h ALA 50 Ca -0.43 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2jnj h ALA 50 Cb 1.20 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2jnj h ALA 50 CO 0.72 0.01 -0.03 0.93 0.00 0.00 0.00 179.25 180.88 2jnj h GLU 51 N 0.66 0.00 -0.08 0.00 5.08 -1.94 -1.93 114.58 116.37 2jnj h GLU 51 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 2jnj h GLU 51 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2jnj h GLU 51 CO -0.13 0.03 0.00 1.47 -1.00 0.00 0.00 179.01 179.38 2jnj n LEU 52 N -3.31 2.43 0.24 1.33 -0.00 -0.86 -4.65 117.00 112.17 2jnj n LEU 52 Ca -0.02 -2.43 0.08 0.00 -0.00 0.00 0.00 56.01 53.64 2jnj n LEU 52 Cb 0.17 -0.22 0.59 0.00 -0.00 0.00 0.00 43.42 43.96 2jnj n LEU 52 CO 0.25 0.61 0.92 1.62 -0.00 0.00 0.00 177.39 180.80 2jnj h VAL 53 N 0.48 0.91 -0.99 1.47 3.04 -1.29 -1.96 116.25 117.92 2jnj h VAL 53 Ca 0.00 -0.61 0.17 0.00 -1.01 0.00 0.00 66.70 65.25 2jnj h VAL 53 Cb 0.78 1.35 -0.09 0.00 -2.01 0.00 0.00 31.29 31.32 2jnj h VAL 53 CO 0.02 0.16 0.62 -0.55 -1.01 0.00 0.00 177.57 176.81 2jnj h ASN 54 N 0.00 0.79 0.09 3.17 7.08 -1.83 0.19 115.58 125.07 2jnj h ASN 54 Ca -0.00 0.07 -0.13 0.00 -3.08 0.00 0.00 56.30 53.16 2jnj h ASN 54 Cb 0.34 -0.08 -0.01 0.00 -2.08 0.00 0.00 38.32 36.49 2jnj h ASN 54 CO 0.02 0.34 -0.45 -0.37 -2.08 0.00 0.00 177.43 174.89 2jnj h VAL 55 N 0.81 1.32 -0.74 6.14 -1.51 -1.71 -2.30 116.25 118.26 2jnj h VAL 55 Ca 0.54 -1.65 -0.03 0.00 -1.23 0.00 0.00 66.70 64.33 2jnj h VAL 55 Cb 0.78 1.68 -0.03 0.00 -2.13 0.00 0.00 31.29 31.59 2jnj h VAL 55 CO -0.32 0.51 0.34 -0.07 -1.23 0.00 0.00 177.57 176.80 2jnj h LEU 56 N 0.36 0.97 -1.02 4.19 -0.00 -1.09 -0.82 115.31 117.90 2jnj h LEU 56 Ca 0.02 -0.14 0.02 0.00 -0.00 0.00 0.00 57.88 57.79 2jnj h LEU 56 Cb 0.94 -0.25 -0.05 0.00 -0.00 0.00 0.00 40.66 41.29 2jnj h LEU 56 CO 0.08 0.84 0.66 1.56 -0.00 0.00 0.00 178.44 181.58 2jnj h GLN 57 N 1.04 1.27 -0.15 1.13 1.08 -0.17 0.24 115.11 119.54 2jnj h GLN 57 Ca 0.25 -0.08 -0.07 0.00 -1.45 0.00 0.00 58.65 57.30 2jnj h GLN 57 Cb 0.14 -0.29 -0.00 0.00 -0.05 0.00 0.00 27.48 27.28 2jnj h GLN 57 CO -0.03 0.84 -0.19 0.93 -0.95 0.00 0.00 178.83 179.43 2jnj h GLU 58 N 1.31 0.40 -0.42 1.46 4.39 -1.03 -2.56 114.58 118.13 2jnj h GLU 58 Ca 0.38 -0.23 -0.13 0.00 0.34 0.00 0.00 59.36 59.73 2jnj h GLU 58 Cb -0.07 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 2jnj h GLU 58 CO -0.10 0.80 -0.23 0.00 -1.16 0.00 0.00 179.01 178.32 2jnj h ARG 59 N 0.03 0.90 -0.62 2.33 2.47 -0.53 0.23 114.38 119.18 2jnj h ARG 59 Ca 0.02 -0.40 -0.03 0.00 -1.26 0.00 0.00 59.98 58.30 2jnj h ARG 59 Cb 0.74 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 29.01 2jnj h ARG 59 CO 0.05 1.05 0.25 0.28 0.56 0.00 0.00 179.97 182.16 2jnj h VAL 60 N 0.72 1.22 0.00 2.04 2.07 -0.57 -2.38 116.25 119.35 2jnj h VAL 60 Ca 0.09 -0.69 -0.08 0.00 0.82 0.00 0.00 66.70 66.84 2jnj h VAL 60 Cb 0.80 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2jnj h VAL 60 CO 0.07 0.28 -0.46 1.23 0.02 0.00 0.00 177.57 178.70 2jnj h GLY 61 N 1.00 0.00 1.79 2.17 0.00 -1.29 -3.41 103.07 103.33 2jnj h GLY 61 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.41 2jnj h GLY 61 CO -0.02 0.00 -0.76 0.83 0.00 0.00 0.00 176.54 176.59 2jnj h GLU 62 N -1.00 0.00 0.00 4.80 4.39 -0.57 -3.25 114.58 118.95 2jnj h GLU 62 Ca -0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.57 2jnj h GLU 62 Cb 1.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 2jnj h GLU 62 CO -0.08 0.53 0.00 -0.07 -1.16 0.00 0.00 179.01 178.23 2jnj h LEU 63 N 0.00 0.00 -0.24 1.33 3.38 -1.60 -1.18 115.31 117.00 2jnj h LEU 63 Ca -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2jnj h LEU 63 Cb 1.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 2jnj h LEU 63 CO 0.07 0.00 0.09 0.24 0.09 0.00 0.00 178.44 178.93 2jnj h MET 64 N 0.00 0.36 0.01 1.13 2.86 -1.79 -3.27 114.93 114.24 2jnj h MET 64 Ca 0.00 -0.07 -0.09 0.00 -2.06 0.00 0.00 59.70 57.48 2jnj h MET 64 Cb 0.30 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 2jnj h MET 64 CO 0.00 0.42 -0.49 -0.44 1.06 0.00 0.00 176.91 177.46 2jnj h ASP 65 N 0.22 0.05 0.00 1.22 5.19 -1.65 -3.49 116.42 117.96 2jnj h ASP 65 Ca 0.08 -0.85 0.00 0.00 -0.62 0.00 0.00 57.03 55.64 2jnj h ASP 65 Cb 0.20 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.70 2jnj h ASP 65 CO -0.00 1.20 0.00 1.67 -3.12 0.00 0.00 179.24 178.99 2jnj n GLN 66 N -4.49 0.00 -2.71 3.56 0.00 -0.49 -5.06 117.38 108.19 2jnj n GLN 66 Ca -0.18 0.00 -0.43 0.00 -0.00 0.00 0.00 57.00 56.39 2jnj n GLN 66 Cb 0.58 0.00 -0.00 0.00 0.00 0.00 0.00 30.24 30.82 2jnj n GLN 66 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 2jnj s ASN 67 N 0.00 6.89 -0.04 1.69 3.04 -1.11 -4.49 114.94 120.92 2jnj s ASN 67 Ca 0.00 -2.55 0.19 0.00 0.04 0.00 0.00 52.86 50.54 2jnj s ASN 67 Cb 0.00 -2.51 0.62 0.00 -1.54 0.00 0.00 41.25 37.82 2jnj s ASN 67 CO 0.00 -1.05 1.53 0.00 -3.04 0.00 0.00 177.10 174.54 2jnj n ALA 68 N 7.46 2.61 -3.20 1.71 0.00 -1.26 -4.84 120.51 122.99 2jnj n ALA 68 Ca 0.43 -1.42 -0.45 0.00 0.00 0.00 0.00 53.44 52.00 2jnj n ALA 68 Cb 0.45 -0.88 -0.04 0.00 0.00 0.00 0.00 19.45 18.98 2jnj n ALA 68 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2jnj s PHE 69 N -1.34 3.23 -0.70 0.00 0.08 -1.26 -4.80 117.98 113.18 2jnj s PHE 69 Ca 0.46 -1.29 0.25 0.00 0.12 0.00 0.00 56.93 56.47 2jnj s PHE 69 Cb 0.27 -3.93 0.45 0.00 -0.57 0.00 0.00 43.02 39.23 2jnj s PHE 69 CO 0.27 -1.17 1.40 0.43 -0.10 0.00 0.00 175.22 176.06 2jnj n SER 70 N 5.58 0.67 -4.57 1.36 7.64 -1.26 -4.68 113.62 118.36 2jnj n SER 70 Ca -0.04 0.15 -0.31 0.00 1.01 0.00 0.00 58.87 59.68 2jnj n SER 70 Cb 0.43 0.03 -0.05 0.00 -1.01 0.00 0.00 64.21 63.62 2jnj n SER 70 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2jnj s LEU 71 N -4.10 3.23 0.00 -3.43 2.34 -1.26 -2.89 118.68 112.58 2jnj s LEU 71 Ca 0.07 -1.29 0.00 0.00 0.06 0.00 0.00 54.13 52.98 2jnj s LEU 71 Cb 0.14 -2.57 0.00 0.00 -0.56 0.00 0.00 46.19 43.20 2jnj s LEU 71 CO 0.70 -2.56 0.00 1.07 -1.06 0.00 0.00 176.35 174.50 2jnj n THR 72 N 7.59 0.00 -1.81 5.48 5.66 -1.26 -4.85 114.28 125.09 2jnj n THR 72 Ca 0.42 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.47 2jnj n THR 72 Cb 0.47 0.00 0.11 0.00 -1.55 0.00 0.00 70.33 69.36 2jnj n THR 72 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jnj n GLN 73 N -0.92 0.83 0.00 1.09 1.13 -1.14 -5.19 117.38 113.17 2jnj n GLN 73 Ca 0.00 -2.42 0.00 0.00 -1.94 0.00 0.00 57.00 52.64 2jnj n GLN 73 Cb 0.00 -0.96 0.00 0.00 0.11 0.00 0.00 30.24 29.39 2jnj n GLN 73 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79