#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 -2.35 1.61 0.02 -2.08 -3.42 113.55 107.32 2jnj h SER 2 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 2jnj h SER 2 Cb 0.00 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.46 2jnj h SER 2 CO 0.00 0.50 1.04 -2.28 -1.14 0.00 0.00 176.83 174.94 2jnj s HIS 3 N -2.98 2.31 -0.53 3.45 2.46 -1.26 -4.93 115.29 113.82 2jnj s HIS 3 Ca -0.00 -0.10 0.01 0.00 0.47 0.00 0.00 55.06 55.43 2jnj s HIS 3 Cb 0.08 -4.61 0.14 0.00 -0.13 0.00 0.00 32.58 28.06 2jnj s HIS 3 CO 0.79 -2.05 0.30 0.00 -2.47 0.00 0.00 174.74 171.31 2jnj s MET 4 N 5.61 2.16 -0.43 2.88 0.00 -1.26 -5.03 119.30 123.22 2jnj s MET 4 Ca 0.34 -2.43 -0.27 0.00 0.00 0.00 0.00 55.69 53.33 2jnj s MET 4 Cb -0.08 -3.49 -0.07 0.00 0.00 0.00 0.00 34.83 31.19 2jnj s MET 4 CO 0.14 -1.11 2.38 0.28 0.00 0.00 0.00 175.02 176.70 2jnj n VAL 5 N 3.51 0.02 -3.55 5.16 0.31 -1.26 -4.86 118.33 117.67 2jnj n VAL 5 Ca 0.05 -0.72 -0.25 0.00 -0.01 0.00 0.00 64.34 63.42 2jnj n VAL 5 Cb 0.36 -2.73 -0.15 0.00 -0.91 0.00 0.00 33.84 30.41 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 11.29 2.59 -0.11 4.52 0.02 -1.26 -5.11 114.94 126.88 2jnj s ASN 6 Ca 0.99 -0.83 0.02 0.00 -1.02 0.00 0.00 52.86 52.03 2jnj s ASN 6 Cb -0.22 -0.12 -0.01 0.00 0.02 0.00 0.00 41.25 40.92 2jnj s ASN 6 CO 0.29 -0.38 -0.19 -0.69 0.02 0.00 0.00 177.10 176.14 2jnj s VAL 7 N 2.17 2.52 0.22 1.60 1.01 -1.26 -5.12 120.40 121.54 2jnj s VAL 7 Ca 0.06 -0.85 -0.22 0.00 0.00 0.00 0.00 61.98 60.96 2jnj s VAL 7 Cb -0.16 -2.01 0.06 0.00 0.00 0.00 0.00 36.38 34.27 2jnj s VAL 7 CO -0.22 0.54 0.91 -1.48 0.00 0.00 0.00 175.10 174.85 2jnj s LEU 8 N 0.34 -0.13 -0.10 3.92 2.34 -1.26 -5.16 118.68 118.63 2jnj s LEU 8 Ca -0.15 -0.60 -0.02 0.00 0.06 0.00 0.00 54.13 53.41 2jnj s LEU 8 Cb -0.17 2.34 -0.03 0.00 -0.56 0.00 0.00 46.19 47.77 2jnj s LEU 8 CO 0.07 -1.11 -0.01 -0.75 -1.06 0.00 0.00 176.35 173.50 2jnj s LYS 9 N -3.03 3.11 0.00 1.48 2.36 -1.26 -5.00 119.74 117.40 2jnj s LYS 9 Ca 0.14 -0.43 0.00 0.00 -2.55 0.00 0.00 55.97 53.13 2jnj s LYS 9 Cb -0.03 -2.82 0.00 0.00 -1.05 0.00 0.00 37.83 33.94 2jnj s LYS 9 CO 0.05 0.61 0.00 0.41 1.55 0.00 0.00 175.35 177.97 2jnj n GLY 10 N 2.42 -0.40 3.18 5.54 0.00 -1.26 -4.83 105.19 109.83 2jnj n GLY 10 Ca -0.18 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 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 -4.00 1.79 -0.14 1.61 1.01 0.11 -4.72 120.40 116.06 2jnj s VAL 11 Ca 0.00 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 60.97 2jnj s VAL 11 Cb 0.00 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 2jnj s VAL 11 CO 0.00 0.50 0.27 -0.22 0.00 0.00 0.00 175.10 175.65 2jnj s LEU 12 N 0.26 4.28 -0.14 3.92 2.96 -1.26 -1.34 118.68 127.36 2jnj s LEU 12 Ca -0.13 0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 54.28 2jnj s LEU 12 Cb -0.16 -2.33 -0.02 0.00 0.50 0.00 0.00 46.19 44.18 2jnj s LEU 12 CO 0.06 0.17 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.55 2jnj s ILE 13 N 0.11 3.55 -0.08 6.68 -1.09 0.24 -4.99 121.20 125.62 2jnj s ILE 13 Ca 0.16 -0.49 -0.01 0.00 -2.23 0.00 0.00 60.65 58.08 2jnj s ILE 13 Cb -0.13 -2.52 0.03 0.00 -1.58 0.00 0.00 42.46 38.25 2jnj s ILE 13 CO 0.04 0.51 -0.00 -0.70 -1.23 0.00 0.00 174.94 173.56 2jnj s GLU 14 N 0.28 0.70 0.00 2.79 2.56 -1.26 -2.40 118.70 121.37 2jnj s GLU 14 Ca -0.06 0.06 0.00 0.00 0.00 0.00 0.00 54.97 54.97 2jnj s GLU 14 Cb -0.15 -1.06 0.00 0.00 2.00 0.00 0.00 34.13 34.92 2jnj s GLU 14 CO 0.04 -0.31 0.00 0.00 -0.56 0.00 0.00 175.26 174.43 2jnj s ASP 16 N -0.59 -0.09 0.61 0.00 2.15 -1.26 -5.05 116.67 112.43 2jnj s ASP 16 Ca 0.00 0.13 0.25 0.00 0.43 0.00 0.00 52.55 53.36 2jnj s ASP 16 Cb 0.00 1.07 0.98 0.00 -0.30 0.00 0.00 42.92 44.67 2jnj s ASP 16 CO 0.00 -0.02 1.42 -0.65 -0.17 0.00 0.00 175.17 175.75 2jnj h PRO 17 N 6.07 0.00 -0.51 4.34 0.11 -1.92 0.10 132.00 140.19 2jnj h PRO 17 Ca -0.20 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.96 2jnj h PRO 17 Cb 1.14 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.20 2jnj h PRO 17 CO 0.15 0.00 0.23 0.00 -0.21 0.00 0.00 178.00 178.17 2jnj h ALA 18 N 0.71 0.65 -0.40 -0.75 0.00 -1.97 -2.18 119.26 115.31 2jnj h ALA 18 Ca 0.37 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.25 2jnj h ALA 18 Cb 2.38 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 20.13 2jnj h ALA 18 CO -0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 179.25 179.05 2jnj h MET 19 N 0.44 0.68 -0.65 0.00 -0.00 -1.21 -2.60 114.93 111.58 2jnj h MET 19 Ca 0.24 -0.19 -0.02 0.00 -0.00 0.00 0.00 59.70 59.73 2jnj h MET 19 Cb 0.20 -0.08 -0.03 0.00 -0.00 0.00 0.00 31.60 31.70 2jnj h MET 19 CO -0.20 0.73 0.33 -0.22 -0.00 0.00 0.00 176.91 177.55 2jnj h LYS 20 N 0.63 0.92 -0.29 -0.10 1.63 -1.52 0.16 116.57 118.00 2jnj h LYS 20 Ca 0.12 -0.12 -0.17 0.00 -0.85 0.00 0.00 60.65 59.62 2jnj h LYS 20 Cb 0.47 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 31.92 2jnj h LYS 20 CO 0.02 0.72 -0.50 1.96 -3.45 0.00 0.00 179.45 178.20 2jnj h GLN 21 N 0.89 0.82 -0.16 1.90 1.08 -1.04 -1.62 115.11 116.98 2jnj h GLN 21 Ca 0.23 -0.49 -0.12 0.00 -1.45 0.00 0.00 58.65 56.82 2jnj h GLN 21 Cb 0.08 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 2jnj h GLN 21 CO -0.03 1.13 -0.41 0.27 -0.95 0.00 0.00 178.83 178.84 2jnj h PHE 22 N 0.64 0.42 -0.25 2.96 -5.15 -1.25 -2.65 116.94 111.67 2jnj h PHE 22 Ca 0.03 -0.12 0.01 0.00 -0.20 0.00 0.00 57.97 57.68 2jnj h PHE 22 Cb 1.09 -0.09 -0.01 0.00 0.22 0.00 0.00 35.95 37.15 2jnj h PHE 22 CO 0.06 0.72 0.17 1.25 -2.00 0.00 0.00 178.31 178.51 2jnj h LEU 23 N 0.30 0.27 -0.20 2.10 5.85 -0.44 0.38 115.31 123.57 2jnj h LEU 23 Ca 0.03 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 2jnj h LEU 23 Cb 0.85 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 2jnj h LEU 23 CO 0.07 0.20 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.25 2jnj h LEU 24 N 0.32 0.39 -1.11 2.25 3.38 -0.96 -0.81 115.31 118.76 2jnj h LEU 24 Ca 0.09 -0.36 0.09 0.00 0.09 0.00 0.00 57.88 57.79 2jnj h LEU 24 Cb -0.02 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.56 2jnj h LEU 24 CO -0.02 0.66 0.61 0.22 0.09 0.00 0.00 178.44 180.00 2jnj h TYR 25 N 0.12 1.06 -0.08 1.13 3.20 -0.94 -0.68 116.97 120.78 2jnj h TYR 25 Ca 0.05 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.82 2jnj h TYR 25 Cb 0.49 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 2jnj h TYR 25 CO 0.05 0.50 -0.55 1.25 -1.64 0.00 0.00 178.16 177.77 2jnj h LEU 26 N 0.99 0.25 -0.92 2.82 7.12 -0.80 -1.52 115.31 123.25 2jnj h LEU 26 Ca 0.43 -0.13 -0.09 0.00 0.13 0.00 0.00 57.88 58.22 2jnj h LEU 26 Cb 0.34 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.38 2jnj h LEU 26 CO -0.19 0.75 -0.13 -0.78 -0.13 0.00 0.00 178.44 177.96 2jnj h ASP 27 N 0.17 0.63 -0.31 1.25 3.58 0.28 0.79 116.42 122.82 2jnj h ASP 27 Ca 0.00 -0.18 -0.11 0.00 0.42 0.00 0.00 57.03 57.16 2jnj h ASP 27 Cb 1.02 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.90 2jnj h ASP 27 CO 0.08 0.79 -0.23 -0.33 -2.88 0.00 0.00 179.24 176.67 2jnj h GLU 28 N 0.59 0.70 0.09 0.28 5.08 -0.84 -3.33 114.58 117.14 2jnj h GLU 28 Ca 0.10 -0.34 -0.29 0.00 -1.00 0.00 0.00 59.36 57.82 2jnj h GLU 28 Cb 0.57 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 2jnj h GLU 28 CO 0.04 0.95 -1.58 0.66 -1.00 0.00 0.00 179.01 178.08 2jnj h SER 29 N 0.46 0.28 -5.12 1.42 4.64 -1.23 -3.50 113.55 110.49 2jnj h SER 29 Ca 0.06 -0.79 0.00 0.00 -0.47 0.00 0.00 61.79 60.59 2jnj h SER 29 Cb 0.79 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 2jnj h SER 29 CO 0.06 1.67 -0.21 -3.20 -0.87 0.00 0.00 176.83 174.28 2jnj n ASN 30 N -3.92 -7.36 0.24 4.97 5.15 0.28 -4.94 115.26 109.67 2jnj n ASN 30 Ca -0.30 0.20 0.11 0.00 -0.60 0.00 0.00 54.58 53.99 2jnj n ASN 30 Cb 0.89 -4.98 0.56 0.00 -0.53 0.00 0.00 39.78 35.72 2jnj n ASN 30 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jnj h ALA 31 N 1.08 1.08 0.00 5.20 0.00 -1.95 -3.08 119.26 121.60 2jnj h ALA 31 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2jnj h ALA 31 Cb 0.96 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2jnj h ALA 31 CO 0.23 0.23 -0.58 -0.07 0.00 0.00 0.00 179.25 179.06 2jnj h LEU 32 N 0.00 0.00 0.00 0.00 4.07 -1.92 -3.48 115.31 113.99 2jnj h LEU 32 Ca -0.00 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.89 2jnj h LEU 32 Cb 0.61 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.35 2jnj h LEU 32 CO 0.02 0.03 0.00 0.61 -1.08 0.00 0.00 178.44 178.03 2jnj n GLY 33 N 1.22 0.83 3.25 0.83 0.00 -1.16 -4.96 105.19 105.20 2jnj n GLY 33 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 2jnj n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jnj s LYS 34 N -0.12 1.42 -0.84 1.61 1.02 -1.26 -5.08 119.74 116.48 2jnj s LYS 34 Ca 0.00 -1.74 -0.25 0.00 0.02 0.00 0.00 55.97 54.00 2jnj s LYS 34 Cb 0.00 0.30 0.03 0.00 -0.52 0.00 0.00 37.83 37.64 2jnj s LYS 34 CO 0.00 -0.50 1.43 0.15 -0.92 0.00 0.00 175.35 175.52 2jnj s LYS 35 N -3.89 3.25 -0.07 1.68 -0.14 -1.26 -4.78 119.74 114.52 2jnj s LYS 35 Ca 0.39 -0.49 -0.12 0.00 -1.36 0.00 0.00 55.97 54.39 2jnj s LYS 35 Cb 0.05 -4.68 -0.08 0.00 -1.68 0.00 0.00 37.83 31.43 2jnj s LYS 35 CO 0.17 -2.30 0.46 0.27 -0.76 0.00 0.00 175.35 173.19 2jnj h PHE 36 N 10.45 -0.20 -3.20 3.18 -0.00 -1.96 -3.42 116.94 121.79 2jnj h PHE 36 Ca -0.08 -0.00 -0.57 0.00 -0.00 0.00 0.00 57.97 57.32 2jnj h PHE 36 Cb 1.04 0.07 -0.09 0.00 -0.00 0.00 0.00 35.95 36.97 2jnj h PHE 36 CO 1.18 0.05 0.87 -1.50 -0.00 0.00 0.00 178.31 178.91 2jnj s ILE 37 N -2.57 4.11 -0.16 0.88 -1.16 -1.26 -3.56 121.20 117.48 2jnj s ILE 37 Ca -0.07 0.75 -0.16 0.00 -0.51 0.00 0.00 60.65 60.65 2jnj s ILE 37 Cb 0.00 -4.68 -0.13 0.00 0.61 0.00 0.00 42.46 38.26 2jnj s ILE 37 CO 0.24 -1.28 0.21 0.40 -2.81 0.00 0.00 174.94 171.70 2jnj h ILE 38 N 6.12 0.72 -3.93 2.00 2.04 -0.88 -3.48 117.51 120.11 2jnj h ILE 38 Ca -0.25 -1.71 -0.30 0.00 1.00 0.00 0.00 64.86 63.60 2jnj h ILE 38 Cb 1.06 1.53 -0.25 0.00 -0.74 0.00 0.00 36.82 38.42 2jnj h ILE 38 CO 1.16 0.25 -0.74 0.00 0.00 0.00 0.00 178.15 178.81 2jnj s GLN 39 N -2.15 0.46 0.13 2.37 -2.07 -1.22 -5.01 119.66 112.17 2jnj s GLN 39 Ca -0.18 -0.45 -0.20 0.00 -1.82 0.00 0.00 55.36 52.72 2jnj s GLN 39 Cb 0.02 -0.34 -0.07 0.00 -1.09 0.00 0.00 33.01 31.52 2jnj s GLN 39 CO 0.41 0.08 0.64 -0.51 -1.32 0.00 0.00 175.29 174.60 2jnj s ASP 40 N -0.79 7.11 0.05 12.60 1.01 -1.26 -1.47 116.67 133.91 2jnj s ASP 40 Ca -0.04 1.36 0.05 0.00 0.71 0.00 0.00 52.55 54.63 2jnj s ASP 40 Cb -0.06 -2.39 -0.02 0.00 1.01 0.00 0.00 42.92 41.46 2jnj s ASP 40 CO 0.00 0.19 -0.14 0.27 0.21 0.00 0.00 175.17 175.70 2jnj s ILE 41 N -1.24 1.14 -0.58 0.77 -4.36 -0.88 -4.95 121.20 111.10 2jnj s ILE 41 Ca 0.34 -1.07 -0.05 0.00 -0.26 0.00 0.00 60.65 59.61 2jnj s ILE 41 Cb -0.19 -1.05 -0.20 0.00 1.25 0.00 0.00 42.46 42.27 2jnj s ILE 41 CO 0.21 -0.03 1.29 -0.67 0.24 0.00 0.00 174.94 175.98 2jnj n ASP 42 N 1.77 -0.93 0.00 4.36 -0.08 -1.26 -1.91 116.55 118.51 2jnj n ASP 42 Ca -0.19 -0.37 0.00 0.00 -1.51 0.00 0.00 54.79 52.73 2jnj n ASP 42 Cb 0.54 -0.33 0.00 0.00 2.34 0.00 0.00 41.12 43.68 2jnj n ASP 42 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2jnj n ASP 43 N 3.36 0.00 -0.01 1.67 8.00 -1.26 -3.73 116.55 124.57 2jnj n ASP 43 Ca 0.40 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.90 2jnj n ASP 43 Cb 0.10 -0.25 -0.04 0.00 -0.02 0.00 0.00 41.12 40.91 2jnj n ASP 43 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2jnj n THR 44 N -0.50 0.15 -3.73 -3.53 -1.04 -1.21 -4.95 114.28 99.47 2jnj n THR 44 Ca 0.00 -0.16 -0.32 0.00 -2.04 0.00 0.00 64.05 61.52 2jnj n THR 44 Cb 0.00 -0.19 -0.05 0.00 -1.82 0.00 0.00 70.33 68.28 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 -2.26 3.51 -0.01 -1.42 3.76 -0.80 -4.50 115.29 113.58 2jnj s HIS 45 Ca -0.02 0.51 -0.01 0.00 -0.15 0.00 0.00 55.06 55.39 2jnj s HIS 45 Cb 0.03 -1.96 0.00 0.00 1.11 0.00 0.00 32.58 31.75 2jnj s HIS 45 CO 0.21 0.51 0.02 0.08 -0.85 0.00 0.00 174.74 174.72 2jnj s VAL 46 N -1.53 0.01 -0.21 -0.90 1.01 -1.01 -2.07 120.40 115.69 2jnj s VAL 46 Ca 0.36 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.19 2jnj s VAL 46 Cb -0.13 -0.07 -0.03 0.00 0.00 0.00 0.00 36.38 36.16 2jnj s VAL 46 CO 0.23 -0.05 0.04 0.12 0.00 0.00 0.00 175.10 175.44 2jnj s PHE 47 N -0.13 3.10 0.09 5.22 5.36 -0.54 -0.59 117.98 130.48 2jnj s PHE 47 Ca -0.02 -0.32 0.07 0.00 -0.96 0.00 0.00 56.93 55.70 2jnj s PHE 47 Cb -0.01 -2.13 -0.03 0.00 -0.34 0.00 0.00 43.02 40.50 2jnj s PHE 47 CO -0.00 -0.19 -0.18 0.54 -1.46 0.00 0.00 175.22 173.94 2jnj s VAL 48 N 1.06 1.41 0.30 3.12 0.11 -0.45 -0.27 120.40 125.68 2jnj s VAL 48 Ca 0.03 -1.42 -0.06 0.00 -2.93 0.00 0.00 61.98 57.60 2jnj s VAL 48 Cb -0.14 -1.31 -0.06 0.00 -1.53 0.00 0.00 36.38 33.34 2jnj s VAL 48 CO 0.02 -0.14 0.59 -0.51 -3.33 0.00 0.00 175.10 171.73 2jnj s ILE 49 N -1.21 4.98 0.27 7.04 2.07 -1.23 0.07 121.20 133.17 2jnj s ILE 49 Ca 0.02 0.20 -0.04 0.00 -1.41 0.00 0.00 60.65 59.41 2jnj s ILE 49 Cb -0.10 -3.72 0.26 0.00 0.13 0.00 0.00 42.46 39.04 2jnj s ILE 49 CO 0.03 -0.32 1.93 0.00 -1.91 0.00 0.00 174.94 174.68 2jnj h ALA 50 N 1.72 1.34 -0.89 1.50 0.00 -1.88 -1.93 119.26 119.12 2jnj h ALA 50 Ca -0.47 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 54.49 2jnj h ALA 50 Cb 1.19 -0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 2jnj h ALA 50 CO 0.66 0.60 0.57 0.93 0.00 0.00 0.00 179.25 182.02 2jnj h GLU 51 N 1.27 0.78 -0.07 0.00 3.07 -2.00 -2.96 114.58 114.67 2jnj h GLU 51 Ca 0.36 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 2jnj h GLU 51 Cb -0.10 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 27.63 2jnj h GLU 51 CO -0.09 0.51 0.00 1.47 -1.40 0.00 0.00 179.01 179.51 2jnj n LEU 52 N -4.55 1.84 0.17 1.33 -0.00 -1.08 -4.38 117.00 110.35 2jnj n LEU 52 Ca 0.16 -1.41 0.02 0.00 -0.00 0.00 0.00 56.01 54.77 2jnj n LEU 52 Cb 0.37 -0.04 0.31 0.00 -0.00 0.00 0.00 43.42 44.06 2jnj n LEU 52 CO 0.30 0.43 0.68 1.62 -0.00 0.00 0.00 177.39 180.42 2jnj h VAL 53 N 0.99 1.30 -0.75 1.47 3.04 -1.18 -0.19 116.25 120.94 2jnj h VAL 53 Ca 0.00 -1.45 0.05 0.00 -1.01 0.00 0.00 66.70 64.29 2jnj h VAL 53 Cb 0.38 1.77 -0.05 0.00 -2.01 0.00 0.00 31.29 31.39 2jnj h VAL 53 CO 0.00 0.42 0.49 0.78 -1.01 0.00 0.00 177.57 178.25 2jnj h ASN 54 N 0.01 0.74 0.43 3.17 4.21 -1.76 0.22 115.58 122.59 2jnj h ASN 54 Ca -0.00 -0.00 -0.22 0.00 1.21 0.00 0.00 56.30 57.29 2jnj h ASN 54 Cb 0.75 -0.16 -0.00 0.00 -1.12 0.00 0.00 38.32 37.79 2jnj h ASN 54 CO 0.06 0.49 -0.93 0.58 -1.29 0.00 0.00 177.43 176.34 2jnj h VAL 55 N 0.85 1.44 -0.34 2.81 2.07 -1.34 -1.53 116.25 120.21 2jnj h VAL 55 Ca 0.31 -2.52 -0.13 0.00 0.82 0.00 0.00 66.70 65.19 2jnj h VAL 55 Cb 0.17 2.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 2jnj h VAL 55 CO -0.10 0.75 -0.30 0.25 0.02 0.00 0.00 177.57 178.19 2jnj h LEU 56 N 0.18 0.75 -0.56 2.57 7.12 -0.49 -1.14 115.31 123.74 2jnj h LEU 56 Ca -0.07 -0.30 -0.07 0.00 0.13 0.00 0.00 57.88 57.57 2jnj h LEU 56 Cb 1.56 -0.21 -0.02 0.00 -0.53 0.00 0.00 40.66 41.46 2jnj h LEU 56 CO 0.15 1.00 0.08 1.56 -0.13 0.00 0.00 178.44 181.10 2jnj h GLN 57 N 0.62 0.94 -0.15 1.25 7.50 -0.10 -0.17 115.11 125.00 2jnj h GLN 57 Ca 0.07 -0.26 -0.10 0.00 0.50 0.00 0.00 58.65 58.86 2jnj h GLN 57 Cb 0.81 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 28.23 2jnj h GLN 57 CO 0.07 0.91 -0.34 1.05 -1.50 0.00 0.00 178.83 179.02 2jnj h GLU 58 N 0.83 0.30 -0.41 1.46 4.11 -1.23 0.11 114.58 119.75 2jnj h GLU 58 Ca 0.17 -0.13 -0.00 0.00 0.07 0.00 0.00 59.36 59.47 2jnj h GLU 58 Cb 0.43 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2jnj h GLU 58 CO 0.01 0.61 0.25 -0.09 0.07 0.00 0.00 179.01 179.86 2jnj h ARG 59 N 0.26 0.55 -0.11 1.06 2.43 -0.39 0.15 114.38 118.33 2jnj h ARG 59 Ca 0.03 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 58.99 2jnj h ARG 59 Cb 0.73 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 2jnj h ARG 59 CO 0.06 0.40 -0.65 0.28 -1.51 0.00 0.00 179.97 178.55 2jnj h VAL 60 N 0.54 1.36 -0.75 0.20 2.07 -0.88 0.74 116.25 119.52 2jnj h VAL 60 Ca 0.15 -2.00 -0.02 0.00 0.82 0.00 0.00 66.70 65.64 2jnj h VAL 60 Cb -0.01 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 2jnj h VAL 60 CO -0.03 0.61 0.39 1.23 0.02 0.00 0.00 177.57 179.78 2jnj h GLY 61 N 1.25 1.14 1.68 2.17 0.00 -0.28 -2.34 103.07 106.70 2jnj h GLY 61 Ca -0.01 -0.54 -0.14 0.00 0.00 0.00 0.00 47.33 46.63 2jnj h GLY 61 CO 0.11 0.52 -0.87 0.83 0.00 0.00 0.00 176.54 177.13 2jnj h GLU 62 N 1.05 0.00 -0.22 4.80 5.08 -0.64 -3.33 114.58 121.32 2jnj h GLU 62 Ca 0.26 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.68 2jnj h GLU 62 Cb 0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2jnj h GLU 62 CO -0.04 0.51 0.18 1.25 -1.00 0.00 0.00 179.01 179.91 2jnj h LEU 63 N 0.00 0.00 -0.94 1.33 5.85 -0.29 0.29 115.31 121.55 2jnj h LEU 63 Ca -0.06 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.72 2jnj h LEU 63 Cb 1.51 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.48 2jnj h LEU 63 CO 0.07 0.00 0.60 0.24 -0.34 0.00 0.00 178.44 179.01 2jnj h MET 64 N 0.00 1.06 0.01 1.25 2.86 -1.63 -3.14 114.93 115.34 2jnj h MET 64 Ca 0.10 -0.06 -0.33 0.00 -2.06 0.00 0.00 59.70 57.35 2jnj h MET 64 Cb 0.45 -0.24 -0.05 0.00 0.06 0.00 0.00 31.60 31.83 2jnj h MET 64 CO -0.00 0.70 -1.83 -3.47 1.06 0.00 0.00 176.91 173.37 2jnj n ASP 65 N -4.55 1.92 0.00 1.22 2.03 -0.17 -5.05 116.55 111.95 2jnj n ASP 65 Ca 0.14 0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.80 2jnj n ASP 65 Cb 0.18 -0.88 0.00 0.00 -0.72 0.00 0.00 41.12 39.70 2jnj n ASP 65 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jnj n GLN 66 N -4.24 0.00 -2.31 -0.67 1.13 0.85 -5.14 117.38 107.00 2jnj n GLN 66 Ca -0.41 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.23 2jnj n GLN 66 Cb 0.80 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 31.12 2jnj n GLN 66 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 2jnj s ASN 67 N 0.00 6.89 -0.74 1.08 3.84 -1.16 -4.49 114.94 120.35 2jnj s ASN 67 Ca 0.00 1.88 -0.04 0.00 0.21 0.00 0.00 52.86 54.91 2jnj s ASN 67 Cb 0.00 -2.54 0.19 0.00 -0.55 0.00 0.00 41.25 38.35 2jnj s ASN 67 CO 0.00 -0.77 0.60 0.00 -2.79 0.00 0.00 177.10 174.14 2jnj s ALA 68 N 3.29 3.87 -0.36 1.71 0.00 -1.26 -4.85 121.76 124.16 2jnj s ALA 68 Ca 0.60 -3.47 0.09 0.00 0.00 0.00 0.00 51.96 49.18 2jnj s ALA 68 Cb -0.26 -2.85 0.67 0.00 0.00 0.00 0.00 23.12 20.69 2jnj s ALA 68 CO 0.20 -2.15 1.67 1.97 0.00 0.00 0.00 175.76 177.45 2jnj n PHE 69 N 3.17 2.14 -1.19 0.00 -1.74 -1.26 -4.99 117.46 113.60 2jnj n PHE 69 Ca 0.13 -1.02 -0.34 0.00 -0.56 0.00 0.00 57.45 55.66 2jnj n PHE 69 Cb 0.39 -0.61 -0.12 0.00 1.52 0.00 0.00 39.48 40.66 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 0.00 0.26 -4.43 5.98 7.64 -1.26 -4.77 113.62 117.05 2jnj n SER 70 Ca 0.35 0.18 -0.37 0.00 1.01 0.00 0.00 58.87 60.04 2jnj n SER 70 Cb 1.25 -0.74 -0.03 0.00 -1.01 0.00 0.00 64.21 63.68 2jnj n SER 70 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2jnj n LEU 71 N 8.21 4.23 0.00 -3.43 4.77 -1.26 -1.75 117.00 127.78 2jnj n LEU 71 Ca 0.52 -3.54 0.00 0.00 -0.03 0.00 0.00 56.01 52.97 2jnj n LEU 71 Cb 0.02 -1.68 0.00 0.00 -2.33 0.00 0.00 43.42 39.43 2jnj n LEU 71 CO 0.75 -0.65 0.00 0.41 -1.33 0.00 0.00 177.39 176.57 2jnj n THR 72 N 6.85 0.00 -0.01 -5.08 -1.04 -1.26 -4.89 114.28 108.85 2jnj n THR 72 Ca 0.48 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 62.40 2jnj n THR 72 Cb 0.45 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.82 2jnj n THR 72 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 2jnj h GLN 73 N 0.00 0.02 -0.02 -2.82 4.20 -1.71 -3.56 115.11 111.21 2jnj h GLN 73 Ca 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2jnj h GLN 73 Cb 0.00 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.79 2jnj h GLN 73 CO 0.00 0.61 0.00 1.63 -0.67 0.00 0.00 178.83 180.40