#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jnj n SER 2 N 0.00 -2.27 -3.63 1.61 7.64 -1.26 -5.00 113.62 110.71 2jnj n SER 2 Ca 0.00 0.56 -0.41 0.00 1.01 0.00 0.00 58.87 60.03 2jnj n SER 2 Cb 0.00 2.27 -0.00 0.00 -1.01 0.00 0.00 64.21 65.47 2jnj n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jnj n HIS 3 N -3.15 2.72 0.00 1.43 -0.00 -1.26 -3.39 115.22 111.57 2jnj n HIS 3 Ca 0.00 -2.82 0.00 0.00 -0.00 0.00 0.00 57.72 54.90 2jnj n HIS 3 Cb 0.00 -1.90 0.00 0.00 -0.00 0.00 0.00 29.99 28.09 2jnj n HIS 3 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 2jnj n MET 4 N 2.67 1.61 -2.06 -1.40 2.00 -1.26 -5.11 117.12 113.58 2jnj n MET 4 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.24 2jnj n MET 4 Cb 0.29 -0.99 0.00 0.00 0.00 0.00 0.00 33.22 32.52 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 -2.28 -1.05 -3.50 2.03 0.31 -1.22 -5.00 118.33 107.62 2jnj n VAL 5 Ca 0.00 0.22 -0.21 0.00 -0.01 0.00 0.00 64.34 64.34 2jnj n VAL 5 Cb 0.49 -1.74 -0.13 0.00 -0.91 0.00 0.00 33.84 31.55 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 -0.45 1.95 -0.22 4.52 0.01 -1.26 -5.09 114.94 114.40 2jnj s ASN 6 Ca 0.00 -0.57 -0.01 0.00 -0.71 0.00 0.00 52.86 51.58 2jnj s ASN 6 Cb 0.00 0.18 0.02 0.00 0.41 0.00 0.00 41.25 41.86 2jnj s ASN 6 CO 0.00 -0.36 -0.11 -0.69 -1.51 0.00 0.00 177.10 174.43 2jnj s VAL 7 N 2.27 2.61 0.30 1.60 1.01 -1.26 -5.09 120.40 121.83 2jnj s VAL 7 Ca 0.07 -0.94 -0.18 0.00 0.00 0.00 0.00 61.98 60.92 2jnj s VAL 7 Cb -0.15 -2.24 0.02 0.00 0.00 0.00 0.00 36.38 34.01 2jnj s VAL 7 CO -0.20 0.35 0.69 -1.48 0.00 0.00 0.00 175.10 174.46 2jnj s LEU 8 N 1.32 -0.08 0.08 3.92 2.34 -1.26 -5.17 118.68 119.83 2jnj s LEU 8 Ca 0.02 -0.79 0.09 0.00 0.06 0.00 0.00 54.13 53.51 2jnj s LEU 8 Cb -0.15 2.58 -0.03 0.00 -0.56 0.00 0.00 46.19 48.02 2jnj s LEU 8 CO -0.07 -1.39 -0.24 -1.59 -1.06 0.00 0.00 176.35 172.00 2jnj s LYS 9 N -3.58 1.72 0.00 1.48 0.00 -1.26 -5.03 119.74 113.08 2jnj s LYS 9 Ca 0.14 -1.17 0.00 0.00 0.00 0.00 0.00 55.97 54.94 2jnj s LYS 9 Cb -0.05 -2.01 0.00 0.00 0.00 0.00 0.00 37.83 35.77 2jnj s LYS 9 CO 0.09 0.49 0.00 0.41 0.00 0.00 0.00 175.35 176.34 2jnj n GLY 10 N 1.34 -0.57 3.22 0.59 0.00 -1.26 -4.59 105.19 103.92 2jnj n GLY 10 Ca -0.17 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.51 2.15 -0.11 1.61 1.01 0.74 -4.60 120.40 119.69 2jnj s VAL 11 Ca 0.00 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 60.96 2jnj s VAL 11 Cb 0.00 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 2jnj s VAL 11 CO 0.00 0.55 0.03 -0.22 0.00 0.00 0.00 175.10 175.46 2jnj s LEU 12 N 0.43 3.69 -0.02 3.92 2.96 -1.26 -1.37 118.68 127.03 2jnj s LEU 12 Ca -0.16 0.15 0.03 0.00 -0.22 0.00 0.00 54.13 53.92 2jnj s LEU 12 Cb -0.17 -1.87 0.00 0.00 0.50 0.00 0.00 46.19 44.65 2jnj s LEU 12 CO 0.07 0.32 -0.10 -0.51 -1.32 0.00 0.00 176.35 174.81 2jnj s ILE 13 N -0.55 0.83 -0.26 6.68 2.07 -0.29 -5.02 121.20 124.66 2jnj s ILE 13 Ca 0.10 -0.40 -0.10 0.00 -1.41 0.00 0.00 60.65 58.84 2jnj s ILE 13 Cb -0.12 -0.73 -0.04 0.00 0.13 0.00 0.00 42.46 41.70 2jnj s ILE 13 CO 0.02 0.25 0.15 -0.70 -1.91 0.00 0.00 174.94 172.76 2jnj s GLU 14 N 0.11 3.90 0.13 3.50 2.56 -1.26 -1.01 118.70 126.64 2jnj s GLU 14 Ca -0.02 -0.35 0.01 0.00 0.00 0.00 0.00 54.97 54.61 2jnj s GLU 14 Cb -0.08 -3.55 0.01 0.00 2.00 0.00 0.00 34.13 32.51 2jnj s GLU 14 CO 0.00 -0.13 0.08 0.00 -0.56 0.00 0.00 175.26 174.66 2jnj s ASP 16 N -1.78 6.28 0.44 0.00 -1.08 -1.26 -4.91 116.67 114.36 2jnj s ASP 16 Ca 0.06 0.32 0.24 0.00 -0.52 0.00 0.00 52.55 52.65 2jnj s ASP 16 Cb -0.01 -1.95 1.24 0.00 -1.46 0.00 0.00 42.92 40.74 2jnj s ASP 16 CO 0.04 0.26 1.77 -0.65 0.52 0.00 0.00 175.17 177.11 2jnj h PRO 17 N 3.85 0.26 -0.31 4.34 0.11 -1.93 0.86 132.00 139.19 2jnj h PRO 17 Ca -0.49 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 2jnj h PRO 17 Cb 1.19 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2jnj h PRO 17 CO 0.68 0.17 0.15 0.00 -0.21 0.00 0.00 178.00 178.79 2jnj h ALA 18 N 1.57 0.40 -0.79 -0.75 0.00 -1.98 -0.56 119.26 117.15 2jnj h ALA 18 Ca 0.60 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.37 2jnj h ALA 18 Cb 1.77 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.41 2jnj h ALA 18 CO -0.23 -0.04 0.31 1.98 0.00 0.00 0.00 179.25 181.26 2jnj h MET 19 N 0.37 1.18 -0.55 0.00 1.85 -1.28 -1.89 114.93 114.61 2jnj h MET 19 Ca 0.11 -0.22 -0.06 0.00 -0.61 0.00 0.00 59.70 58.92 2jnj h MET 19 Cb 0.12 -0.19 -0.02 0.00 0.43 0.00 0.00 31.60 31.93 2jnj h MET 19 CO -0.01 0.96 0.09 -0.22 -0.40 0.00 0.00 176.91 177.33 2jnj h LYS 20 N 1.15 0.87 -0.60 0.39 3.11 -0.78 -1.85 116.57 118.86 2jnj h LYS 20 Ca 0.26 -0.20 -0.00 0.00 -2.81 0.00 0.00 60.65 57.90 2jnj h LYS 20 Cb 0.23 -0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 31.31 2jnj h LYS 20 CO -0.02 0.81 0.36 1.96 -2.81 0.00 0.00 179.45 179.75 2jnj h GLN 21 N 0.83 0.81 -0.19 1.90 1.08 -0.29 0.16 115.11 119.41 2jnj h GLN 21 Ca 0.17 -0.07 -0.10 0.00 -1.45 0.00 0.00 58.65 57.20 2jnj h GLN 21 Cb 0.36 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 2jnj h GLN 21 CO 0.01 0.59 -0.34 0.27 -0.95 0.00 0.00 178.83 178.41 2jnj h PHE 22 N 0.81 0.44 -0.25 2.96 -5.15 -1.20 -1.81 116.94 112.75 2jnj h PHE 22 Ca 0.21 -0.11 0.01 0.00 -0.20 0.00 0.00 57.97 57.89 2jnj h PHE 22 Cb -0.02 -0.10 -0.02 0.00 0.22 0.00 0.00 35.95 36.03 2jnj h PHE 22 CO -0.02 0.68 0.14 1.25 -2.00 0.00 0.00 178.31 178.36 2jnj h LEU 23 N 0.33 0.22 -1.00 2.10 7.12 -0.63 0.15 115.31 123.61 2jnj h LEU 23 Ca 0.04 0.00 -0.09 0.00 0.13 0.00 0.00 57.88 57.96 2jnj h LEU 23 Cb 0.75 -0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.83 2jnj h LEU 23 CO 0.06 0.17 -0.30 0.17 -0.13 0.00 0.00 178.44 178.41 2jnj h LEU 24 N 0.29 0.36 -0.80 2.25 8.10 -0.58 -1.46 115.31 123.48 2jnj h LEU 24 Ca 0.10 -0.13 -0.07 0.00 0.11 0.00 0.00 57.88 57.89 2jnj h LEU 24 Cb 0.00 -0.10 -0.03 0.00 -0.44 0.00 0.00 40.66 40.10 2jnj h LEU 24 CO -0.05 0.65 0.11 0.22 -4.11 0.00 0.00 178.44 175.26 2jnj h TYR 25 N 0.31 1.06 -0.12 0.17 3.20 -0.79 0.11 116.97 120.92 2jnj h TYR 25 Ca 0.04 -0.13 -0.12 0.00 3.14 0.00 0.00 58.73 61.66 2jnj h TYR 25 Cb 0.69 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 2jnj h TYR 25 CO 0.02 0.90 -0.45 1.25 -1.64 0.00 0.00 178.16 178.24 2jnj h LEU 26 N 0.95 0.31 -0.58 2.82 7.12 -0.32 0.62 115.31 126.23 2jnj h LEU 26 Ca 0.19 -0.14 -0.08 0.00 0.13 0.00 0.00 57.88 57.98 2jnj h LEU 26 Cb 0.41 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 40.43 2jnj h LEU 26 CO 0.01 0.72 0.04 -0.78 -0.13 0.00 0.00 178.44 178.30 2jnj h ASP 27 N 0.24 0.97 -0.57 1.25 3.58 -0.64 0.80 116.42 122.06 2jnj h ASP 27 Ca 0.02 -0.29 0.01 0.00 0.42 0.00 0.00 57.03 57.19 2jnj h ASP 27 Cb 0.88 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 41.64 2jnj h ASP 27 CO 0.07 1.02 0.38 -0.08 -2.88 0.00 0.00 179.24 177.75 2jnj h GLU 28 N 0.90 0.75 0.18 0.28 4.57 -0.22 -2.96 114.58 118.07 2jnj h GLU 28 Ca 0.17 -0.05 -0.31 0.00 -1.18 0.00 0.00 59.36 57.99 2jnj h GLU 28 Cb 0.49 -0.17 0.02 0.00 -0.16 0.00 0.00 28.75 28.93 2jnj h GLU 28 CO 0.02 0.50 -1.44 0.66 -1.18 0.00 0.00 179.01 177.57 2jnj h SER 29 N 0.77 0.59 -5.11 1.04 4.64 -0.81 -3.48 113.55 111.20 2jnj h SER 29 Ca 0.21 -0.69 -0.37 0.00 -0.47 0.00 0.00 61.79 60.48 2jnj h SER 29 Cb -0.09 -0.19 0.11 0.00 -0.31 0.00 0.00 62.40 61.92 2jnj h SER 29 CO -0.05 1.55 -0.60 -3.20 -0.87 0.00 0.00 176.83 173.66 2jnj n ASN 30 N -3.59 -5.95 0.25 4.97 5.15 0.28 -4.89 115.26 111.48 2jnj n ASN 30 Ca -0.15 -0.44 0.18 0.00 -0.60 0.00 0.00 54.58 53.57 2jnj n ASN 30 Cb 1.06 -4.62 0.90 0.00 -0.53 0.00 0.00 39.78 36.60 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 0.93 1.59 0.00 5.20 0.00 -1.89 0.14 119.26 125.23 2jnj h ALA 31 Ca -0.51 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2jnj h ALA 31 Cb 1.34 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2jnj h ALA 31 CO 0.51 -0.22 -0.37 1.28 0.00 0.00 0.00 179.25 180.45 2jnj n LEU 32 N -3.57 0.46 -0.03 0.00 4.77 -1.26 -4.91 117.00 112.45 2jnj n LEU 32 Ca -0.00 0.23 -0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2jnj n LEU 32 Cb 0.27 -0.30 -0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2jnj n LEU 32 CO 0.24 0.02 -0.00 0.61 -1.33 0.00 0.00 177.39 176.93 2jnj n GLY 33 N 1.44 0.33 2.98 -0.72 0.00 0.51 -4.97 105.19 104.75 2jnj n GLY 33 Ca 0.05 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.91 0.29 -0.75 1.61 1.02 -1.26 -5.09 119.74 114.64 2jnj s LYS 34 Ca 0.00 -0.51 -0.23 0.00 0.02 0.00 0.00 55.97 55.25 2jnj s LYS 34 Cb 0.00 0.10 0.07 0.00 -0.52 0.00 0.00 37.83 37.48 2jnj s LYS 34 CO 0.00 -0.05 1.10 0.15 -0.92 0.00 0.00 175.35 175.63 2jnj s LYS 35 N -1.26 3.25 -0.08 1.68 -0.14 -1.26 -4.83 119.74 117.10 2jnj s LYS 35 Ca -0.14 -0.89 -0.26 0.00 -1.36 0.00 0.00 55.97 53.32 2jnj s LYS 35 Cb -0.08 -4.44 -0.24 0.00 -1.68 0.00 0.00 37.83 31.38 2jnj s LYS 35 CO -0.01 -1.92 0.97 0.27 -0.76 0.00 0.00 175.35 173.91 2jnj h PHE 36 N 9.57 0.12 -3.52 3.18 -0.00 -1.96 -3.44 116.94 120.89 2jnj h PHE 36 Ca -0.17 -0.07 -0.62 0.00 -0.00 0.00 0.00 57.97 57.12 2jnj h PHE 36 Cb 1.05 -0.01 -0.12 0.00 -0.00 0.00 0.00 35.95 36.87 2jnj h PHE 36 CO 1.06 0.89 0.28 -1.50 -0.00 0.00 0.00 178.31 179.05 2jnj s ILE 37 N -2.97 4.82 -0.14 0.88 -1.16 -1.26 -2.88 121.20 118.50 2jnj s ILE 37 Ca -0.17 0.87 -0.15 0.00 -0.51 0.00 0.00 60.65 60.70 2jnj s ILE 37 Cb -0.00 -4.12 -0.12 0.00 0.61 0.00 0.00 42.46 38.82 2jnj s ILE 37 CO 0.71 -0.31 0.26 0.40 -2.81 0.00 0.00 174.94 173.20 2jnj h ILE 38 N 5.66 0.75 -3.57 2.00 5.03 -0.97 -3.49 117.51 122.92 2jnj h ILE 38 Ca -0.25 -1.64 -0.13 0.00 -0.12 0.00 0.00 64.86 62.71 2jnj h ILE 38 Cb 1.10 1.49 -0.19 0.00 -3.03 0.00 0.00 36.82 36.20 2jnj h ILE 38 CO 0.87 0.25 -0.46 0.00 -0.68 0.00 0.00 178.15 178.12 2jnj s GLN 39 N -2.02 0.57 -0.42 2.37 -2.07 -1.25 -5.02 119.66 111.81 2jnj s GLN 39 Ca -0.14 -0.53 -0.20 0.00 -1.82 0.00 0.00 55.36 52.68 2jnj s GLN 39 Cb 0.00 0.23 0.02 0.00 -1.09 0.00 0.00 33.01 32.18 2jnj s GLN 39 CO 0.36 -0.15 0.59 -0.51 -1.32 0.00 0.00 175.29 174.27 2jnj s ASP 40 N -1.73 6.31 -0.90 12.60 1.01 -1.26 -1.67 116.67 131.03 2jnj s ASP 40 Ca -0.10 -0.31 -0.20 0.00 0.71 0.00 0.00 52.55 52.65 2jnj s ASP 40 Cb -0.04 -2.30 0.11 0.00 1.01 0.00 0.00 42.92 41.69 2jnj s ASP 40 CO -0.01 -0.69 1.15 0.27 0.21 0.00 0.00 175.17 176.10 2jnj s ILE 41 N 2.65 4.52 -0.68 0.77 -0.00 0.85 -4.45 121.20 124.86 2jnj s ILE 41 Ca 0.21 -1.21 -0.04 0.00 -0.00 0.00 0.00 60.65 59.61 2jnj s ILE 41 Cb -0.15 -4.81 0.00 0.00 -0.00 0.00 0.00 42.46 37.51 2jnj s ILE 41 CO 0.17 -1.57 0.67 -0.67 -0.00 0.00 0.00 174.94 173.54 2jnj n ASP 42 N 7.16 -7.66 0.00 4.36 -0.08 -1.26 -2.01 116.55 117.07 2jnj n ASP 42 Ca 0.20 0.01 0.00 0.00 -1.51 0.00 0.00 54.79 53.49 2jnj n ASP 42 Cb 0.49 -5.10 0.00 0.00 2.34 0.00 0.00 41.12 38.85 2jnj n ASP 42 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2jnj n ASP 43 N -1.49 0.00 -0.04 1.67 2.03 -1.26 -3.66 116.55 113.80 2jnj n ASP 43 Ca 0.01 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.31 2jnj n ASP 43 Cb 0.50 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.80 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 0.47 -3.51 5.18 -1.04 -1.26 -4.96 114.28 109.17 2jnj n THR 44 Ca 0.00 -0.44 -0.33 0.00 -2.04 0.00 0.00 64.05 61.25 2jnj n THR 44 Cb 0.00 -0.27 -0.05 0.00 -1.82 0.00 0.00 70.33 68.18 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 -2.60 3.50 -0.01 -1.42 3.76 -0.85 -3.39 115.29 114.27 2jnj s HIS 45 Ca -0.06 0.80 0.05 0.00 -0.15 0.00 0.00 55.06 55.70 2jnj s HIS 45 Cb 0.06 -2.19 -0.01 0.00 1.11 0.00 0.00 32.58 31.55 2jnj s HIS 45 CO 0.54 0.39 -0.15 0.08 -0.85 0.00 0.00 174.74 174.76 2jnj s VAL 46 N -1.63 1.16 -0.21 -0.90 1.01 -0.18 -0.10 120.40 119.55 2jnj s VAL 46 Ca 0.41 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.73 2jnj s VAL 46 Cb -0.13 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 2jnj s VAL 46 CO 0.21 0.33 -0.04 0.12 0.00 0.00 0.00 175.10 175.72 2jnj s PHE 47 N -0.34 2.96 -0.03 5.22 5.36 -0.67 -1.14 117.98 129.34 2jnj s PHE 47 Ca 0.06 -0.83 0.05 0.00 -0.96 0.00 0.00 56.93 55.25 2jnj s PHE 47 Cb -0.06 -2.08 -0.01 0.00 -0.34 0.00 0.00 43.02 40.53 2jnj s PHE 47 CO -0.01 -0.46 -0.19 0.54 -1.46 0.00 0.00 175.22 173.64 2jnj s VAL 48 N 1.29 1.52 0.26 3.12 0.11 -0.47 -0.34 120.40 125.90 2jnj s VAL 48 Ca 0.04 -0.80 -0.29 0.00 -2.93 0.00 0.00 61.98 57.99 2jnj s VAL 48 Cb -0.14 -1.28 -0.09 0.00 -1.53 0.00 0.00 36.38 33.33 2jnj s VAL 48 CO -0.02 0.43 1.17 -0.51 -3.33 0.00 0.00 175.10 172.84 2jnj s ILE 49 N -0.26 3.37 0.55 7.04 2.07 -1.14 -0.19 121.20 132.64 2jnj s ILE 49 Ca 0.03 1.30 0.23 0.00 -1.41 0.00 0.00 60.65 60.80 2jnj s ILE 49 Cb -0.09 -3.83 0.33 0.00 0.13 0.00 0.00 42.46 39.00 2jnj s ILE 49 CO 0.01 0.28 2.13 0.00 -1.91 0.00 0.00 174.94 175.44 2jnj h ALA 50 N 4.18 1.98 0.00 1.50 0.00 -1.81 -1.52 119.26 123.58 2jnj h ALA 50 Ca -0.46 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 2jnj h ALA 50 Cb 1.21 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2jnj h ALA 50 CO 0.69 -0.20 -0.01 0.93 0.00 0.00 0.00 179.25 180.66 2jnj h GLU 51 N 0.00 0.00 -0.11 0.00 4.39 -1.94 -1.75 114.58 115.16 2jnj h GLU 51 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2jnj h GLU 51 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2jnj h GLU 51 CO -0.00 0.01 0.00 1.28 -1.16 0.00 0.00 179.01 179.14 2jnj n LEU 52 N -3.17 2.23 0.16 1.33 4.77 -0.58 -4.71 117.00 117.03 2jnj n LEU 52 Ca -0.02 -1.89 0.01 0.00 -0.03 0.00 0.00 56.01 54.08 2jnj n LEU 52 Cb 0.16 -0.08 0.26 0.00 -2.33 0.00 0.00 43.42 41.44 2jnj n LEU 52 CO 0.24 0.55 0.61 1.62 -1.33 0.00 0.00 177.39 179.07 2jnj h VAL 53 N 0.75 1.35 -0.71 4.08 3.04 -1.26 -2.62 116.25 120.88 2jnj h VAL 53 Ca 0.00 -1.71 -0.03 0.00 -1.01 0.00 0.00 66.70 63.95 2jnj h VAL 53 Cb 0.54 1.92 -0.03 0.00 -2.01 0.00 0.00 31.29 31.71 2jnj h VAL 53 CO 0.00 0.49 0.34 0.78 -1.01 0.00 0.00 177.57 178.17 2jnj h ASN 54 N 0.00 0.91 0.12 3.17 2.35 -1.84 0.22 115.58 120.51 2jnj h ASN 54 Ca -0.00 -0.10 -0.12 0.00 -0.55 0.00 0.00 56.30 55.53 2jnj h ASN 54 Cb 0.88 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.01 2jnj h ASN 54 CO 0.06 0.77 -0.41 -0.37 -1.65 0.00 0.00 177.43 175.83 2jnj h VAL 55 N 1.00 1.31 -0.40 2.81 -1.51 -1.85 -2.25 116.25 115.35 2jnj h VAL 55 Ca 0.24 -1.55 -0.08 0.00 -1.23 0.00 0.00 66.70 64.08 2jnj h VAL 55 Cb 0.10 1.63 -0.02 0.00 -2.13 0.00 0.00 31.29 30.88 2jnj h VAL 55 CO -0.03 0.47 -0.08 -0.07 -1.23 0.00 0.00 177.57 176.63 2jnj h LEU 56 N 0.31 0.68 -1.18 4.19 -0.00 -0.99 -0.90 115.31 117.41 2jnj h LEU 56 Ca 0.03 -0.18 -0.05 0.00 -0.00 0.00 0.00 57.88 57.68 2jnj h LEU 56 Cb 0.86 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 41.31 2jnj h LEU 56 CO 0.07 0.80 0.06 1.56 -0.00 0.00 0.00 178.44 180.93 2jnj h GLN 57 N 0.64 0.63 -0.13 1.13 1.08 -0.02 0.23 115.11 118.67 2jnj h GLN 57 Ca 0.12 -0.13 -0.07 0.00 -1.45 0.00 0.00 58.65 57.12 2jnj h GLN 57 Cb 0.52 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.85 2jnj h GLN 57 CO 0.03 0.61 -0.18 0.93 -0.95 0.00 0.00 178.83 179.27 2jnj h GLU 58 N 0.61 0.36 -0.17 1.46 4.39 -1.06 -1.54 114.58 118.63 2jnj h GLU 58 Ca 0.14 -0.21 -0.13 0.00 0.34 0.00 0.00 59.36 59.50 2jnj h GLU 58 Cb 0.29 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2jnj h GLU 58 CO 0.00 0.78 -0.40 0.00 -1.16 0.00 0.00 179.01 178.24 2jnj h ARG 59 N -0.04 0.57 -0.73 2.33 3.08 -0.74 0.22 114.38 119.08 2jnj h ARG 59 Ca 0.01 -0.38 -0.04 0.00 0.07 0.00 0.00 59.98 59.64 2jnj h ARG 59 Cb 0.74 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.82 2jnj h ARG 59 CO 0.04 1.00 0.30 0.28 -1.07 0.00 0.00 179.97 180.53 2jnj h VAL 60 N 0.22 1.25 0.00 2.04 2.07 -0.62 -2.40 116.25 118.81 2jnj h VAL 60 Ca -0.00 -0.77 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 2jnj h VAL 60 Cb 1.00 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2jnj h VAL 60 CO 0.09 0.31 -0.36 1.23 0.02 0.00 0.00 177.57 178.86 2jnj h GLY 61 N 1.04 0.00 1.06 2.17 0.00 -1.30 -3.43 103.07 102.61 2jnj h GLY 61 Ca 0.25 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.35 2jnj h GLY 61 CO -0.02 0.00 -1.50 0.83 0.00 0.00 0.00 176.54 175.85 2jnj h GLU 62 N -1.00 0.00 -0.77 4.80 4.39 -0.66 -3.40 114.58 117.94 2jnj h GLU 62 Ca -0.06 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.71 2jnj h GLU 62 Cb 0.59 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.19 2jnj h GLU 62 CO -0.04 0.42 0.50 1.25 -1.16 0.00 0.00 179.01 179.98 2jnj h LEU 63 N 0.00 0.69 -1.78 1.33 5.85 -1.24 0.27 115.31 120.44 2jnj h LEU 63 Ca -0.21 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 2jnj h LEU 63 Cb 1.78 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.67 2jnj h LEU 63 CO 0.07 0.44 -0.03 0.00 -0.34 0.00 0.00 178.44 178.57 2jnj h MET 64 N 0.78 0.09 0.02 1.25 -0.00 -1.78 -2.80 114.93 112.50 2jnj h MET 64 Ca 0.34 -0.01 -0.24 0.00 -0.00 0.00 0.00 59.70 59.79 2jnj h MET 64 Cb 0.31 -0.02 -0.03 0.00 -0.00 0.00 0.00 31.60 31.87 2jnj h MET 64 CO -0.12 0.14 -1.29 0.22 -0.00 0.00 0.00 176.91 175.86 2jnj h ASP 65 N 0.09 0.06 0.00 -0.10 3.58 -1.29 -3.49 116.42 115.27 2jnj h ASP 65 Ca 0.02 -0.59 0.00 0.00 0.42 0.00 0.00 57.03 56.88 2jnj h ASP 65 Cb 0.13 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.16 2jnj h ASP 65 CO 0.01 1.52 0.00 1.67 -2.88 0.00 0.00 179.24 179.55 2jnj n GLN 66 N -4.32 0.00 -2.51 0.28 0.00 0.75 -5.09 117.38 106.50 2jnj n GLN 66 Ca -0.31 0.00 -0.41 0.00 -0.00 0.00 0.00 57.00 56.28 2jnj n GLN 66 Cb 0.72 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.93 2jnj n GLN 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2jnj s ASN 67 N 0.00 6.17 -0.70 1.69 4.22 -1.21 -4.32 114.94 120.78 2jnj s ASN 67 Ca 0.00 -0.19 -0.25 0.00 -2.14 0.00 0.00 52.86 50.28 2jnj s ASN 67 Cb 0.00 -2.56 0.05 0.00 1.28 0.00 0.00 41.25 40.03 2jnj s ASN 67 CO 0.00 -1.77 1.12 0.00 -2.04 0.00 0.00 177.10 174.41 2jnj s ALA 68 N 5.78 2.93 -0.13 3.54 0.00 -1.26 -4.76 121.76 127.87 2jnj s ALA 68 Ca 0.41 -1.62 0.10 0.00 0.00 0.00 0.00 51.96 50.86 2jnj s ALA 68 Cb -0.08 -4.06 -0.15 0.00 0.00 0.00 0.00 23.12 18.82 2jnj s ALA 68 CO 0.19 -3.04 0.03 0.34 0.00 0.00 0.00 175.76 173.28 2jnj n PHE 69 N 8.54 0.00 -2.81 0.00 7.35 -1.26 -4.80 117.46 124.47 2jnj n PHE 69 Ca -0.00 0.00 -0.44 0.00 -0.76 0.00 0.00 57.45 56.25 2jnj n PHE 69 Cb 0.47 -0.62 0.00 0.00 0.35 0.00 0.00 39.48 39.68 2jnj n PHE 69 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 2jnj n SER 70 N -2.50 5.12 -3.97 -2.13 7.64 -1.26 -4.83 113.62 111.68 2jnj n SER 70 Ca -0.21 -2.96 -0.31 0.00 1.01 0.00 0.00 58.87 56.40 2jnj n SER 70 Cb 0.90 -1.62 -0.14 0.00 -1.01 0.00 0.00 64.21 62.34 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 2.29 4.47 0.00 -3.43 2.01 -1.26 -4.67 118.68 118.08 2jnj s LEU 71 Ca 0.46 -2.83 0.00 0.00 0.01 0.00 0.00 54.13 51.77 2jnj s LEU 71 Cb -0.00 -1.65 0.00 0.00 0.01 0.00 0.00 46.19 44.54 2jnj s LEU 71 CO 0.02 -0.27 0.25 1.07 1.01 0.00 0.00 176.35 178.43 2jnj n THR 72 N 3.37 0.00 0.00 5.49 5.66 -1.26 -4.90 114.28 122.64 2jnj n THR 72 Ca 0.05 -0.26 0.00 0.00 -3.05 0.00 0.00 64.05 60.79 2jnj n THR 72 Cb 0.34 1.47 0.00 0.00 -1.55 0.00 0.00 70.33 70.59 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 -0.02 0.00 0.00 1.09 7.27 -1.26 -5.34 117.38 119.12 2jnj n GLN 73 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2jnj n GLN 73 Cb 0.12 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.77 2jnj n GLN 73 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49