#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 5.22 -0.21 1.61 0.01 -1.26 -5.05 113.70 114.02 2jnj s SER 2 Ca 0.00 -0.76 0.01 0.00 1.31 0.00 0.00 55.95 56.51 2jnj s SER 2 Cb 0.00 -1.90 0.05 0.00 0.21 0.00 0.00 66.02 64.38 2jnj s SER 2 CO 0.00 -0.22 -0.07 -2.28 0.41 0.00 0.00 173.24 171.08 2jnj s HIS 3 N 1.50 2.30 -0.72 2.43 5.65 -1.26 -5.05 115.29 120.15 2jnj s HIS 3 Ca 0.02 -1.59 0.00 0.00 0.25 0.00 0.00 55.06 53.74 2jnj s HIS 3 Cb -0.18 -1.56 0.18 0.00 -1.18 0.00 0.00 32.58 29.84 2jnj s HIS 3 CO 0.03 -0.74 0.55 -1.64 -0.65 0.00 0.00 174.74 172.29 2jnj s MET 4 N 1.43 2.71 -0.34 2.88 1.00 -1.26 -4.97 119.30 120.74 2jnj s MET 4 Ca -0.03 -2.99 -0.00 0.00 0.00 0.00 0.00 55.69 52.67 2jnj s MET 4 Cb -0.17 -3.69 0.11 0.00 0.00 0.00 0.00 34.83 31.09 2jnj s MET 4 CO -0.07 -1.22 0.15 0.08 0.00 0.00 0.00 175.02 173.96 2jnj s VAL 5 N -0.86 0.79 -0.35 -6.03 1.01 -1.26 -5.04 120.40 108.67 2jnj s VAL 5 Ca 0.22 -1.65 0.03 0.00 0.00 0.00 0.00 61.98 60.58 2jnj s VAL 5 Cb -0.13 -1.59 0.10 0.00 0.00 0.00 0.00 36.38 34.77 2jnj s VAL 5 CO -0.09 -0.78 0.09 0.20 0.00 0.00 0.00 175.10 174.52 2jnj s ASN 6 N 1.29 4.47 -0.13 3.32 0.01 -1.26 -5.07 114.94 117.57 2jnj s ASN 6 Ca 0.13 -2.10 0.02 0.00 -0.71 0.00 0.00 52.86 50.19 2jnj s ASN 6 Cb -0.20 -1.38 -0.00 0.00 0.41 0.00 0.00 41.25 40.08 2jnj s ASN 6 CO -0.17 -0.37 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.16 2jnj s VAL 7 N 0.98 2.36 0.24 1.60 1.01 -1.26 -5.10 120.40 120.22 2jnj s VAL 7 Ca 0.11 -0.89 -0.21 0.00 0.00 0.00 0.00 61.98 60.99 2jnj s VAL 7 Cb -0.19 -1.95 0.06 0.00 0.00 0.00 0.00 36.38 34.30 2jnj s VAL 7 CO -0.12 0.54 0.94 -1.48 0.00 0.00 0.00 175.10 174.98 2jnj s LEU 8 N 0.58 -0.05 0.21 3.92 2.34 -1.26 -5.18 118.68 119.24 2jnj s LEU 8 Ca -0.11 -0.73 0.11 0.00 0.06 0.00 0.00 54.13 53.46 2jnj s LEU 8 Cb -0.16 2.34 -0.05 0.00 -0.56 0.00 0.00 46.19 47.76 2jnj s LEU 8 CO 0.03 -1.18 -0.19 -1.59 -1.06 0.00 0.00 176.35 172.37 2jnj s LYS 9 N -2.58 1.69 0.00 1.48 -2.85 -1.26 -5.04 119.74 111.19 2jnj s LYS 9 Ca 0.17 -1.53 0.00 0.00 -1.00 0.00 0.00 55.97 53.61 2jnj s LYS 9 Cb -0.03 -1.90 0.00 0.00 -2.06 0.00 0.00 37.83 33.84 2jnj s LYS 9 CO 0.06 0.39 0.00 0.41 0.10 0.00 0.00 175.35 176.31 2jnj n GLY 10 N -0.04 -0.05 3.14 0.59 0.00 -1.26 -4.52 105.19 103.05 2jnj n GLY 10 Ca -0.10 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.29 1.74 -0.32 1.61 1.01 0.90 -4.66 120.40 118.39 2jnj s VAL 11 Ca 0.00 -0.82 -0.15 0.00 0.00 0.00 0.00 61.98 61.01 2jnj s VAL 11 Cb 0.00 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 2jnj s VAL 11 CO 0.00 0.49 0.36 -0.22 0.00 0.00 0.00 175.10 175.73 2jnj s LEU 12 N 0.60 4.30 -0.16 3.92 2.96 -1.26 -1.22 118.68 127.82 2jnj s LEU 12 Ca -0.14 -0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 2jnj s LEU 12 Cb -0.17 -2.36 0.01 0.00 0.50 0.00 0.00 46.19 44.17 2jnj s LEU 12 CO 0.04 -0.29 -0.18 -0.51 -1.32 0.00 0.00 176.35 174.10 2jnj s ILE 13 N 2.04 2.39 0.00 6.68 2.07 0.70 -4.97 121.20 130.12 2jnj s ILE 13 Ca 0.13 -0.85 0.06 0.00 -1.41 0.00 0.00 60.65 58.58 2jnj s ILE 13 Cb -0.16 -2.00 -0.02 0.00 0.13 0.00 0.00 42.46 40.41 2jnj s ILE 13 CO 0.11 0.52 -0.20 -0.70 -1.91 0.00 0.00 174.94 172.77 2jnj s GLU 14 N 1.01 1.51 0.00 3.50 2.12 -1.26 -0.21 118.70 125.36 2jnj s GLU 14 Ca -0.02 -0.77 0.00 0.00 0.36 0.00 0.00 54.97 54.55 2jnj s GLU 14 Cb -0.15 -1.50 0.00 0.00 0.26 0.00 0.00 34.13 32.74 2jnj s GLU 14 CO -0.04 0.40 0.00 0.00 -0.54 0.00 0.00 175.26 175.08 2jnj n ASP 16 N 0.00 2.72 0.20 0.00 5.75 -1.26 -4.85 116.55 119.11 2jnj n ASP 16 Ca 0.00 1.15 0.14 0.00 -0.01 0.00 0.00 54.79 56.08 2jnj n ASP 16 Cb 0.00 -1.50 0.70 0.00 -1.03 0.00 0.00 41.12 39.28 2jnj n ASP 16 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 2jnj h PRO 17 N 2.32 0.00 -0.30 0.11 0.11 -1.97 -0.85 132.00 131.42 2jnj h PRO 17 Ca -0.47 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 2jnj h PRO 17 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 2jnj h PRO 17 CO 0.61 0.00 0.11 0.00 -0.21 0.00 0.00 178.00 178.52 2jnj h ALA 18 N 2.07 0.40 -0.70 -0.75 0.00 -2.00 -0.53 119.26 117.75 2jnj h ALA 18 Ca 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.78 2jnj h ALA 18 Cb 0.16 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2jnj h ALA 18 CO 0.00 0.00 0.46 1.98 0.00 0.00 0.00 179.25 181.69 2jnj h MET 19 N 0.34 0.93 -0.66 0.00 1.85 -1.51 -1.97 114.93 113.90 2jnj h MET 19 Ca 0.10 -0.06 0.04 0.00 -0.61 0.00 0.00 59.70 59.17 2jnj h MET 19 Cb 0.20 -0.21 -0.05 0.00 0.43 0.00 0.00 31.60 31.98 2jnj h MET 19 CO -0.01 0.62 0.39 -0.22 -0.40 0.00 0.00 176.91 177.30 2jnj h LYS 20 N 0.95 0.73 -0.20 0.39 1.63 -1.23 0.23 116.57 119.06 2jnj h LYS 20 Ca 0.26 -0.04 -0.15 0.00 -0.85 0.00 0.00 60.65 59.87 2jnj h LYS 20 Cb -0.10 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.36 2jnj h LYS 20 CO -0.05 0.48 -0.48 1.96 -3.45 0.00 0.00 179.45 177.91 2jnj h GLN 21 N 0.75 0.53 -0.10 1.90 1.08 -0.53 -2.56 115.11 116.19 2jnj h GLN 21 Ca 0.28 -0.30 -0.11 0.00 -1.45 0.00 0.00 58.65 57.07 2jnj h GLN 21 Cb 0.09 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 2jnj h GLN 21 CO -0.14 0.90 -0.41 0.27 -0.95 0.00 0.00 178.83 178.50 2jnj h PHE 22 N 0.42 0.26 -0.52 2.96 -5.15 -0.62 -2.48 116.94 111.82 2jnj h PHE 22 Ca 0.02 -0.07 0.04 0.00 -0.20 0.00 0.00 57.97 57.76 2jnj h PHE 22 Cb 1.00 -0.06 -0.03 0.00 0.22 0.00 0.00 35.95 37.08 2jnj h PHE 22 CO 0.04 0.60 0.35 -0.07 -2.00 0.00 0.00 178.31 177.23 2jnj h LEU 23 N 0.19 0.49 -0.34 2.10 4.07 -0.22 0.36 115.31 121.96 2jnj h LEU 23 Ca 0.02 -0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.90 2jnj h LEU 23 Cb 0.81 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.42 2jnj h LEU 23 CO 0.06 0.33 -0.06 -0.07 -1.08 0.00 0.00 178.44 177.63 2jnj h LEU 24 N 0.56 0.63 -0.76 1.67 3.38 -1.09 -0.85 115.31 118.85 2jnj h LEU 24 Ca 0.21 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.84 2jnj h LEU 24 Cb 0.15 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 2jnj h LEU 24 CO -0.06 0.83 0.50 0.22 0.09 0.00 0.00 178.44 180.03 2jnj h TYR 25 N 0.42 0.96 -0.19 1.13 3.20 -0.75 -1.98 116.97 119.76 2jnj h TYR 25 Ca 0.09 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 2jnj h TYR 25 Cb 0.54 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 2jnj h TYR 25 CO 0.05 0.60 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.94 2jnj h LEU 26 N 1.03 0.31 -0.59 2.82 -0.00 -0.21 0.32 115.31 118.99 2jnj h LEU 26 Ca 0.28 -0.08 -0.09 0.00 -0.00 0.00 0.00 57.88 57.99 2jnj h LEU 26 Cb -0.12 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 40.44 2jnj h LEU 26 CO -0.06 0.49 0.00 -0.78 -0.00 0.00 0.00 178.44 178.10 2jnj h ASP 27 N 0.30 1.02 -0.18 -0.43 3.58 -0.45 0.58 116.42 120.83 2jnj h ASP 27 Ca 0.06 -0.31 -0.14 0.00 0.42 0.00 0.00 57.03 57.06 2jnj h ASP 27 Cb 0.47 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2jnj h ASP 27 CO 0.03 1.07 -0.42 -0.33 -2.88 0.00 0.00 179.24 176.71 2jnj h GLU 28 N 0.93 0.60 0.02 0.28 5.08 -0.77 -3.34 114.58 117.39 2jnj h GLU 28 Ca 0.17 -0.41 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2jnj h GLU 28 Cb 0.55 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2jnj h GLU 28 CO 0.03 1.02 -0.01 1.03 -1.00 0.00 0.00 179.01 180.08 2jnj h SER 29 N 0.27 -0.03 -6.62 1.42 0.87 -0.39 -3.49 113.55 105.58 2jnj h SER 29 Ca -0.00 -0.71 -0.44 0.00 -1.23 0.00 0.00 61.79 59.41 2jnj h SER 29 Cb 1.03 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 2jnj h SER 29 CO 0.09 0.77 -1.04 -3.20 -0.53 0.00 0.00 176.83 172.93 2jnj n ASN 30 N -4.71 -5.15 0.22 6.23 5.15 0.20 -4.90 115.26 112.30 2jnj n ASN 30 Ca -0.08 -0.78 0.10 0.00 -0.60 0.00 0.00 54.58 53.21 2jnj n ASN 30 Cb 0.36 -1.93 0.49 0.00 -0.53 0.00 0.00 39.78 38.16 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 1.35 1.05 0.00 5.20 0.00 -1.94 -3.26 119.26 121.67 2jnj h ALA 31 Ca -0.58 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2jnj h ALA 31 Cb 1.37 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2jnj h ALA 31 CO 0.34 0.28 -0.26 -0.07 0.00 0.00 0.00 179.25 179.54 2jnj h LEU 32 N 0.00 0.00 0.00 0.00 3.38 -1.92 -3.47 115.31 113.30 2jnj h LEU 32 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2jnj h LEU 32 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2jnj h LEU 32 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 2jnj n GLY 33 N 1.14 0.42 3.02 0.83 0.00 -1.23 -5.03 105.19 104.34 2jnj n GLY 33 Ca 0.03 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.35 0.45 -0.70 1.61 3.01 -1.26 -5.09 119.74 116.41 2jnj s LYS 34 Ca 0.00 -0.59 -0.21 0.00 -1.01 0.00 0.00 55.97 54.16 2jnj s LYS 34 Cb 0.00 -0.25 0.09 0.00 -1.01 0.00 0.00 37.83 36.65 2jnj s LYS 34 CO 0.00 0.05 0.97 0.15 0.51 0.00 0.00 175.35 177.02 2jnj s LYS 35 N -1.19 3.19 -0.05 1.68 -0.14 -1.26 -4.85 119.74 117.12 2jnj s LYS 35 Ca -0.08 -1.06 -0.24 0.00 -1.36 0.00 0.00 55.97 53.22 2jnj s LYS 35 Cb -0.08 -4.37 -0.24 0.00 -1.68 0.00 0.00 37.83 31.47 2jnj s LYS 35 CO 0.00 -1.78 1.02 0.27 -0.76 0.00 0.00 175.35 174.10 2jnj h PHE 36 N 9.39 0.25 -3.05 3.18 -0.00 -1.96 -3.42 116.94 121.34 2jnj h PHE 36 Ca -0.21 -0.14 -0.56 0.00 -0.00 0.00 0.00 57.97 57.07 2jnj h PHE 36 Cb 1.06 -0.03 -0.09 0.00 -0.00 0.00 0.00 35.95 36.90 2jnj h PHE 36 CO 0.99 0.94 0.91 -1.50 -0.00 0.00 0.00 178.31 179.65 2jnj s ILE 37 N -3.11 4.04 -0.14 0.88 -1.16 -1.25 -3.65 121.20 116.81 2jnj s ILE 37 Ca -0.16 0.68 -0.18 0.00 -0.51 0.00 0.00 60.65 60.49 2jnj s ILE 37 Cb 0.01 -4.73 -0.15 0.00 0.61 0.00 0.00 42.46 38.20 2jnj s ILE 37 CO 0.74 -1.39 0.39 0.40 -2.81 0.00 0.00 174.94 172.27 2jnj h ILE 38 N 6.11 1.00 -3.76 2.00 2.04 -1.17 -3.47 117.51 120.26 2jnj h ILE 38 Ca -0.26 -1.81 -0.22 0.00 1.00 0.00 0.00 64.86 63.57 2jnj h ILE 38 Cb 1.06 1.95 -0.27 0.00 -0.74 0.00 0.00 36.82 38.82 2jnj h ILE 38 CO 1.18 0.34 -0.71 0.00 0.00 0.00 0.00 178.15 178.96 2jnj s GLN 39 N -2.04 0.05 -0.32 2.37 -2.07 -1.25 -5.02 119.66 111.38 2jnj s GLN 39 Ca -0.14 -0.10 -0.14 0.00 -1.82 0.00 0.00 55.36 53.16 2jnj s GLN 39 Cb -0.01 0.02 -0.02 0.00 -1.09 0.00 0.00 33.01 31.91 2jnj s GLN 39 CO 0.43 -0.01 0.32 0.16 -1.32 0.00 0.00 175.29 174.87 2jnj s ASP 40 N -0.24 6.15 0.75 12.60 1.47 -1.26 -1.14 116.67 135.00 2jnj s ASP 40 Ca -0.03 -0.16 -0.04 0.00 1.18 0.00 0.00 52.55 53.50 2jnj s ASP 40 Cb -0.02 -2.18 0.12 0.00 -0.34 0.00 0.00 42.92 40.50 2jnj s ASP 40 CO -0.00 -0.26 0.77 2.30 0.68 0.00 0.00 175.17 178.65 2jnj n ILE 41 N 5.18 0.00 -1.22 2.11 -0.00 0.62 -4.87 119.36 121.19 2jnj n ILE 41 Ca -0.10 -0.95 -0.24 0.00 -0.00 0.00 0.00 62.75 61.46 2jnj n ILE 41 Cb 0.50 -1.25 -0.16 0.00 -0.00 0.00 0.00 39.64 38.72 2jnj n ILE 41 CO 0.00 0.00 0.00 -0.90 -0.00 0.00 0.00 176.55 175.65 2jnj n ASP 42 N -3.16 -0.65 0.00 7.28 5.75 -1.26 -2.45 116.55 122.06 2jnj n ASP 42 Ca 0.11 -0.22 0.00 0.00 -0.01 0.00 0.00 54.79 54.68 2jnj n ASP 42 Cb 0.40 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 2jnj n ASP 42 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2jnj n ASP 43 N 6.03 0.00 -0.32 -1.12 2.03 -1.26 -3.12 116.55 118.80 2jnj n ASP 43 Ca 0.55 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.86 2jnj n ASP 43 Cb 0.08 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 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 -4.63 5.18 -1.04 -1.25 -5.06 114.28 107.48 2jnj n THR 44 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.68 2jnj n THR 44 Cb 0.00 0.48 -0.11 0.00 -1.82 0.00 0.00 70.33 68.88 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 0.00 2.88 0.03 -1.42 3.76 -1.03 -4.19 115.29 115.32 2jnj s HIS 45 Ca 0.00 -0.03 0.05 0.00 -0.15 0.00 0.00 55.06 54.93 2jnj s HIS 45 Cb 0.00 -1.67 -0.02 0.00 1.11 0.00 0.00 32.58 32.00 2jnj s HIS 45 CO 0.00 0.32 -0.15 0.08 -0.85 0.00 0.00 174.74 174.14 2jnj s VAL 46 N -0.84 1.16 -0.15 -0.90 1.01 0.70 -0.27 120.40 121.11 2jnj s VAL 46 Ca 0.13 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 2jnj s VAL 46 Cb -0.11 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 2jnj s VAL 46 CO 0.03 0.11 -0.09 0.12 0.00 0.00 0.00 175.10 175.27 2jnj s PHE 47 N -0.70 2.91 0.04 5.22 5.36 -0.29 -0.22 117.98 130.31 2jnj s PHE 47 Ca 0.03 -0.54 0.06 0.00 -0.96 0.00 0.00 56.93 55.52 2jnj s PHE 47 Cb -0.07 -1.91 -0.02 0.00 -0.34 0.00 0.00 43.02 40.67 2jnj s PHE 47 CO 0.01 -0.18 -0.17 0.54 -1.46 0.00 0.00 175.22 173.96 2jnj s VAL 48 N 0.47 1.37 0.26 3.12 0.11 -0.35 -0.71 120.40 124.67 2jnj s VAL 48 Ca -0.07 -1.11 -0.24 0.00 -2.93 0.00 0.00 61.98 57.63 2jnj s VAL 48 Cb -0.15 -1.22 -0.09 0.00 -1.53 0.00 0.00 36.38 33.39 2jnj s VAL 48 CO 0.04 0.08 0.84 -0.51 -3.33 0.00 0.00 175.10 172.22 2jnj s ILE 49 N -0.85 4.36 0.41 7.04 2.07 -1.25 -0.07 121.20 132.90 2jnj s ILE 49 Ca 0.04 1.62 0.33 0.00 -1.41 0.00 0.00 60.65 61.24 2jnj s ILE 49 Cb -0.08 -3.99 0.36 0.00 0.13 0.00 0.00 42.46 38.88 2jnj s ILE 49 CO 0.02 0.23 2.13 0.00 -1.91 0.00 0.00 174.94 175.41 2jnj h ALA 50 N 3.46 1.15 -0.40 1.50 0.00 -1.83 -2.07 119.26 121.06 2jnj h ALA 50 Ca -0.47 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 2jnj h ALA 50 Cb 1.19 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2jnj h ALA 50 CO 0.65 0.07 -0.18 0.93 0.00 0.00 0.00 179.25 180.73 2jnj h GLU 51 N 0.00 0.77 -0.17 0.00 5.08 -1.95 -3.19 114.58 115.12 2jnj h GLU 51 Ca -0.00 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2jnj h GLU 51 Cb 0.29 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2jnj h GLU 51 CO 0.01 0.89 0.00 1.47 -1.00 0.00 0.00 179.01 180.38 2jnj n LEU 52 N -4.13 2.43 0.23 1.33 -0.00 -1.01 -4.27 117.00 111.58 2jnj n LEU 52 Ca 0.01 -1.41 0.07 0.00 -0.00 0.00 0.00 56.01 54.67 2jnj n LEU 52 Cb 0.40 -0.10 0.56 0.00 -0.00 0.00 0.00 43.42 44.28 2jnj n LEU 52 CO 0.44 0.53 0.92 1.62 -0.00 0.00 0.00 177.39 180.90 2jnj h VAL 53 N 2.33 1.01 -0.88 1.47 3.04 -1.37 -0.78 116.25 121.06 2jnj h VAL 53 Ca 0.00 -0.59 0.16 0.00 -1.01 0.00 0.00 66.70 65.26 2jnj h VAL 53 Cb 0.61 1.33 -0.07 0.00 -2.01 0.00 0.00 31.29 31.15 2jnj h VAL 53 CO 0.00 0.16 0.57 0.78 -1.01 0.00 0.00 177.57 178.08 2jnj h ASN 54 N 0.00 0.55 -0.51 3.17 2.35 -1.74 0.22 115.58 119.62 2jnj h ASN 54 Ca -0.00 0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.72 2jnj h ASN 54 Cb 0.32 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 2jnj h ASN 54 CO 0.02 0.26 0.05 0.58 -1.65 0.00 0.00 177.43 176.69 2jnj h VAL 55 N 0.57 1.26 -0.36 2.81 2.07 -1.43 -2.34 116.25 118.83 2jnj h VAL 55 Ca 0.45 -1.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 2jnj h VAL 55 Cb 0.88 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 2jnj h VAL 55 CO -0.20 0.35 -0.06 -0.07 0.02 0.00 0.00 177.57 177.62 2jnj h LEU 56 N 0.74 0.58 -0.75 2.57 -0.00 -0.87 -1.31 115.31 116.26 2jnj h LEU 56 Ca 0.15 -0.14 -0.04 0.00 -0.00 0.00 0.00 57.88 57.85 2jnj h LEU 56 Cb 0.45 -0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 40.92 2jnj h LEU 56 CO 0.02 0.69 0.31 1.56 -0.00 0.00 0.00 178.44 181.02 2jnj h GLN 57 N 0.56 1.12 -0.28 1.13 1.08 -0.15 0.25 115.11 118.82 2jnj h GLN 57 Ca 0.11 -0.20 -0.03 0.00 -1.45 0.00 0.00 58.65 57.08 2jnj h GLN 57 Cb 0.45 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 2jnj h GLN 57 CO 0.02 0.91 0.06 0.93 -0.95 0.00 0.00 178.83 179.80 2jnj h GLU 58 N 1.08 0.46 -0.43 1.46 4.39 -1.14 -2.74 114.58 117.66 2jnj h GLU 58 Ca 0.25 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 2jnj h GLU 58 Cb 0.20 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 2jnj h GLU 58 CO -0.02 0.56 0.26 -0.09 -1.16 0.00 0.00 179.01 178.55 2jnj h ARG 59 N 0.29 0.59 -0.89 2.33 2.43 -0.61 0.24 114.38 118.76 2jnj h ARG 59 Ca 0.09 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 2jnj h ARG 59 Cb 0.31 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 2jnj h ARG 59 CO 0.00 0.45 0.48 0.28 -1.51 0.00 0.00 179.97 179.67 2jnj h VAL 60 N 0.57 1.26 0.18 0.20 2.07 -0.47 -0.55 116.25 119.50 2jnj h VAL 60 Ca 0.16 -0.65 -0.29 0.00 0.82 0.00 0.00 66.70 66.73 2jnj h VAL 60 Cb 0.01 0.06 0.02 0.00 -1.52 0.00 0.00 31.29 29.86 2jnj h VAL 60 CO -0.03 0.29 -1.39 1.23 0.02 0.00 0.00 177.57 177.69 2jnj h GLY 61 N 1.25 0.43 1.35 2.17 0.00 -1.14 -3.39 103.07 103.74 2jnj h GLY 61 Ca 0.31 -1.09 -0.12 0.00 0.00 0.00 0.00 47.33 46.43 2jnj h GLY 61 CO -0.05 0.96 -1.00 0.83 0.00 0.00 0.00 176.54 177.28 2jnj h GLU 62 N -0.10 0.00 0.00 4.80 5.08 -0.51 -3.38 114.58 120.47 2jnj h GLU 62 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2jnj h GLU 62 Cb 1.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.18 2jnj h GLU 62 CO 0.17 0.30 0.11 1.25 -1.00 0.00 0.00 179.01 179.83 2jnj h LEU 63 N 0.00 0.00 -0.25 1.33 5.85 -1.05 0.23 115.31 121.43 2jnj h LEU 63 Ca -0.08 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.54 2jnj h LEU 63 Cb 1.41 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.43 2jnj h LEU 63 CO 0.04 0.00 -0.24 0.24 -0.34 0.00 0.00 178.44 178.15 2jnj h MET 64 N 0.00 0.59 0.03 1.25 2.86 -1.83 -3.37 114.93 114.46 2jnj h MET 64 Ca 0.00 -0.31 -0.32 0.00 -2.06 0.00 0.00 59.70 57.01 2jnj h MET 64 Cb 0.22 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.85 2jnj h MET 64 CO 0.00 0.90 -1.77 -3.47 1.06 0.00 0.00 176.91 173.63 2jnj n ASP 65 N -4.36 1.95 -3.55 1.22 2.03 0.57 -5.04 116.55 109.36 2jnj n ASP 65 Ca -0.04 0.32 -0.09 0.00 0.52 0.00 0.00 54.79 55.49 2jnj n ASP 65 Cb 0.43 -0.87 -0.04 0.00 -0.72 0.00 0.00 41.12 39.92 2jnj n ASP 65 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jnj s GLN 66 N -2.45 0.67 -1.00 -0.67 0.00 0.26 -5.10 119.66 111.37 2jnj s GLN 66 Ca -0.30 -0.05 -0.22 0.00 -0.00 0.00 0.00 55.36 54.79 2jnj s GLN 66 Cb 0.08 0.31 0.07 0.00 0.00 0.00 0.00 33.01 33.47 2jnj s GLN 66 CO 0.61 -0.25 1.38 0.54 0.00 0.00 0.00 175.29 177.57 2jnj s ASN 67 N -1.73 6.53 -0.30 12.60 4.22 -1.26 -3.19 114.94 131.81 2jnj s ASN 67 Ca 0.02 -1.58 -0.15 0.00 -2.14 0.00 0.00 52.86 49.00 2jnj s ASN 67 Cb -0.01 -2.53 0.02 0.00 1.28 0.00 0.00 41.25 40.01 2jnj s ASN 67 CO -0.03 -1.41 0.34 0.00 -2.04 0.00 0.00 177.10 173.96 2jnj n ALA 68 N 8.36 -2.67 -2.92 3.54 0.00 -1.26 -4.83 120.51 120.73 2jnj n ALA 68 Ca 0.31 0.50 -0.44 0.00 0.00 0.00 0.00 53.44 53.81 2jnj n ALA 68 Cb 0.51 -1.93 -0.01 0.00 0.00 0.00 0.00 19.45 18.02 2jnj n ALA 68 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2jnj s PHE 69 N -1.67 3.36 -0.26 0.00 5.36 -1.26 -4.95 117.98 118.55 2jnj s PHE 69 Ca 0.17 -1.92 -0.21 0.00 -0.96 0.00 0.00 56.93 54.02 2jnj s PHE 69 Cb -0.03 -4.33 -0.02 0.00 -0.34 0.00 0.00 43.02 38.30 2jnj s PHE 69 CO 0.62 -1.44 0.64 -1.12 -1.46 0.00 0.00 175.22 172.45 2jnj s SER 70 N 3.12 6.57 -0.34 6.13 0.01 -1.26 -5.03 113.70 122.90 2jnj s SER 70 Ca 0.41 0.67 -0.08 0.00 1.31 0.00 0.00 55.95 58.25 2jnj s SER 70 Cb -0.03 -2.34 0.02 0.00 0.21 0.00 0.00 66.02 63.88 2jnj s SER 70 CO -0.02 -0.40 0.14 -0.76 0.41 0.00 0.00 173.24 172.60 2jnj s LEU 71 N 2.55 4.30 0.40 2.44 1.43 -1.26 -4.66 118.68 123.88 2jnj s LEU 71 Ca 0.26 -0.91 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 2jnj s LEU 71 Cb -0.15 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.13 2jnj s LEU 71 CO 0.09 -0.29 0.00 0.41 0.23 0.00 0.00 176.35 176.79 2jnj n THR 72 N 4.91 0.00 0.06 5.49 -1.04 -1.26 -4.89 114.28 117.55 2jnj n THR 72 Ca -0.13 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 61.92 2jnj n THR 72 Cb 0.46 -0.08 -0.05 0.00 -1.82 0.00 0.00 70.33 68.84 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 0.00 0.00 -2.82 4.20 -2.05 -3.58 115.11 110.86 2jnj h GLN 73 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2jnj h GLN 73 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2jnj h GLN 73 CO 0.00 0.21 0.00 1.17 -0.67 0.00 0.00 178.83 179.54