#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 -3.57 1.61 0.02 -2.00 -3.42 113.55 106.18 2jnj h SER 2 Ca 0.00 -0.43 -0.52 0.00 -0.84 0.00 0.00 61.79 60.01 2jnj h SER 2 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2jnj h SER 2 CO 0.00 0.85 0.26 -2.28 -1.14 0.00 0.00 176.83 174.51 2jnj s HIS 3 N -1.99 3.88 0.02 3.45 5.65 -1.26 -4.99 115.29 120.04 2jnj s HIS 3 Ca -0.13 1.71 -0.25 0.00 0.25 0.00 0.00 55.06 56.64 2jnj s HIS 3 Cb -0.00 -2.89 -0.14 0.00 -1.18 0.00 0.00 32.58 28.37 2jnj s HIS 3 CO 0.36 0.39 1.12 0.52 -0.65 0.00 0.00 174.74 176.47 2jnj h MET 4 N 4.79 -0.87 -5.45 2.88 0.00 -2.10 -3.42 114.93 110.77 2jnj h MET 4 Ca -0.45 0.06 -0.34 0.00 0.00 0.00 0.00 59.70 58.97 2jnj h MET 4 Cb 1.21 0.20 -0.01 0.00 0.00 0.00 0.00 31.60 32.99 2jnj h MET 4 CO 0.69 -0.58 1.24 1.55 0.00 0.00 0.00 176.91 179.81 2jnj n VAL 5 N -5.06 -0.05 -3.75 -2.22 3.14 -1.26 -4.38 118.33 104.75 2jnj n VAL 5 Ca -0.11 -0.64 -0.30 0.00 -2.96 0.00 0.00 64.34 60.34 2jnj n VAL 5 Cb 0.36 -2.26 -0.15 0.00 -1.06 0.00 0.00 33.84 30.73 2jnj n VAL 5 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 2jnj s ASN 6 N 11.09 3.98 -0.16 6.55 0.01 -1.26 -5.06 114.94 130.09 2jnj s ASN 6 Ca 1.02 -1.59 -0.00 0.00 -0.71 0.00 0.00 52.86 51.58 2jnj s ASN 6 Cb -0.30 -0.89 -0.00 0.00 0.41 0.00 0.00 41.25 40.47 2jnj s ASN 6 CO 0.25 -0.40 -0.14 0.54 -1.51 0.00 0.00 177.10 175.84 2jnj s VAL 7 N 1.60 2.76 -0.04 1.60 0.11 -1.26 -5.01 120.40 120.16 2jnj s VAL 7 Ca 0.09 -0.74 -0.08 0.00 -2.93 0.00 0.00 61.98 58.32 2jnj s VAL 7 Cb -0.17 -2.17 0.01 0.00 -1.53 0.00 0.00 36.38 32.52 2jnj s VAL 7 CO -0.23 0.51 0.20 -0.22 -3.33 0.00 0.00 175.10 172.03 2jnj s LEU 8 N 0.79 1.27 -0.09 2.54 2.96 -1.26 -5.14 118.68 119.75 2jnj s LEU 8 Ca -0.05 0.17 -0.16 0.00 -0.22 0.00 0.00 54.13 53.87 2jnj s LEU 8 Cb -0.15 0.77 -0.05 0.00 0.50 0.00 0.00 46.19 47.26 2jnj s LEU 8 CO 0.00 -0.22 0.42 -0.75 -1.32 0.00 0.00 176.35 174.48 2jnj s LYS 9 N -0.57 4.21 0.00 1.98 2.20 -1.26 -4.97 119.74 121.32 2jnj s LYS 9 Ca -0.07 0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.91 2jnj s LYS 9 Cb -0.04 -3.37 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 2jnj s LYS 9 CO 0.01 0.32 0.00 0.41 -0.36 0.00 0.00 175.35 175.74 2jnj n GLY 10 N 2.89 -0.19 3.58 5.54 0.00 -1.26 -4.72 105.19 111.02 2jnj n GLY 10 Ca -0.10 -1.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.50 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 -3.65 3.78 -0.30 1.61 1.01 0.12 -4.79 120.40 118.18 2jnj s VAL 11 Ca 0.00 -0.44 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 2jnj s VAL 11 Cb 0.00 -2.56 -0.00 0.00 0.00 0.00 0.00 36.38 33.82 2jnj s VAL 11 CO 0.00 0.59 0.11 -0.22 0.00 0.00 0.00 175.10 175.58 2jnj s LEU 12 N -0.66 3.92 -0.09 3.92 2.96 -1.26 -1.22 118.68 126.25 2jnj s LEU 12 Ca 0.10 -0.59 -0.00 0.00 -0.22 0.00 0.00 54.13 53.42 2jnj s LEU 12 Cb -0.11 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 2jnj s LEU 12 CO 0.02 -0.18 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.17 2jnj s ILE 13 N 1.56 3.69 -0.05 6.68 -1.09 0.53 -4.94 121.20 127.58 2jnj s ILE 13 Ca 0.04 -0.47 -0.01 0.00 -2.23 0.00 0.00 60.65 57.98 2jnj s ILE 13 Cb -0.17 -2.54 0.03 0.00 -1.58 0.00 0.00 42.46 38.20 2jnj s ILE 13 CO 0.04 0.57 0.03 -1.83 -1.23 0.00 0.00 174.94 172.52 2jnj s GLU 14 N -0.45 0.19 0.00 2.79 -1.05 -1.26 -0.63 118.70 118.29 2jnj s GLU 14 Ca 0.07 0.25 0.00 0.00 -0.15 0.00 0.00 54.97 55.14 2jnj s GLU 14 Cb -0.12 -0.65 0.00 0.00 -0.44 0.00 0.00 34.13 32.92 2jnj s GLU 14 CO 0.02 -0.30 0.00 0.00 0.95 0.00 0.00 175.26 175.94 2jnj s ASP 16 N 1.00 6.68 0.66 0.00 -4.77 -1.26 -4.88 116.67 114.10 2jnj s ASP 16 Ca 0.00 2.74 0.35 0.00 -3.30 0.00 0.00 52.55 52.34 2jnj s ASP 16 Cb 0.00 -2.65 1.92 0.00 -1.09 0.00 0.00 42.92 41.10 2jnj s ASP 16 CO 0.00 -0.62 2.10 -0.65 0.70 0.00 0.00 175.17 176.70 2jnj h PRO 17 N 3.69 0.00 -0.36 2.11 0.11 -1.95 0.58 132.00 136.17 2jnj h PRO 17 Ca -0.49 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 2jnj h PRO 17 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 2jnj h PRO 17 CO 0.68 0.00 0.23 0.00 -0.21 0.00 0.00 178.00 178.69 2jnj h ALA 18 N 1.62 0.46 -0.73 -0.75 0.00 -1.99 0.17 119.26 118.04 2jnj h ALA 18 Ca 0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2jnj h ALA 18 Cb 0.42 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2jnj h ALA 18 CO -0.00 -0.05 0.32 1.98 0.00 0.00 0.00 179.25 181.50 2jnj h MET 19 N 0.48 1.05 -0.78 0.00 1.85 -1.25 -2.11 114.93 114.17 2jnj h MET 19 Ca 0.13 -0.16 -0.03 0.00 -0.61 0.00 0.00 59.70 59.03 2jnj h MET 19 Cb -0.01 -0.19 -0.04 0.00 0.43 0.00 0.00 31.60 31.79 2jnj h MET 19 CO -0.03 0.83 0.36 -0.22 -0.40 0.00 0.00 176.91 177.46 2jnj h LYS 20 N 1.04 1.13 -0.46 0.39 3.11 -1.12 -1.41 116.57 119.24 2jnj h LYS 20 Ca 0.25 -0.17 -0.00 0.00 -2.81 0.00 0.00 60.65 57.92 2jnj h LYS 20 Cb 0.14 -0.20 -0.02 0.00 -1.00 0.00 0.00 32.23 31.15 2jnj h LYS 20 CO -0.03 0.88 0.28 1.96 -2.81 0.00 0.00 179.45 179.73 2jnj h GLN 21 N 1.12 0.62 -0.22 1.90 1.08 -0.00 0.14 115.11 119.74 2jnj h GLN 21 Ca 0.27 -0.05 -0.10 0.00 -1.45 0.00 0.00 58.65 57.31 2jnj h GLN 21 Cb 0.13 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 2jnj h GLN 21 CO -0.03 0.45 -0.31 0.27 -0.95 0.00 0.00 178.83 178.26 2jnj h PHE 22 N 0.61 0.50 -0.28 2.96 -5.15 -1.19 -2.01 116.94 112.38 2jnj h PHE 22 Ca 0.17 -0.12 0.01 0.00 -0.20 0.00 0.00 57.97 57.83 2jnj h PHE 22 Cb -0.01 -0.12 -0.02 0.00 0.22 0.00 0.00 35.95 36.02 2jnj h PHE 22 CO -0.03 0.70 0.17 1.25 -2.00 0.00 0.00 178.31 178.40 2jnj h LEU 23 N 0.38 0.28 -0.67 2.10 7.12 -0.70 0.23 115.31 124.05 2jnj h LEU 23 Ca 0.05 -0.00 -0.11 0.00 0.13 0.00 0.00 57.88 57.94 2jnj h LEU 23 Cb 0.73 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.79 2jnj h LEU 23 CO 0.06 0.21 -0.20 0.17 -0.13 0.00 0.00 178.44 178.54 2jnj h LEU 24 N 0.35 0.84 -0.60 2.25 8.10 -0.56 -2.49 115.31 123.19 2jnj h LEU 24 Ca 0.11 -0.29 -0.10 0.00 0.11 0.00 0.00 57.88 57.71 2jnj h LEU 24 Cb -0.01 -0.23 -0.02 0.00 -0.44 0.00 0.00 40.66 39.96 2jnj h LEU 24 CO -0.04 1.02 -0.01 0.22 -4.11 0.00 0.00 178.44 175.52 2jnj h TYR 25 N 0.72 1.16 -0.15 0.17 5.03 -1.00 -2.63 116.97 120.28 2jnj h TYR 25 Ca 0.10 -0.20 -0.12 0.00 2.58 0.00 0.00 58.73 61.09 2jnj h TYR 25 Cb 0.72 -0.30 -0.01 0.00 1.55 0.00 0.00 36.73 38.69 2jnj h TYR 25 CO 0.04 1.03 -0.44 1.25 -1.32 0.00 0.00 178.16 178.72 2jnj h LEU 26 N 0.97 0.37 -0.45 2.82 7.12 -0.44 0.17 115.31 125.86 2jnj h LEU 26 Ca 0.17 -0.16 -0.01 0.00 0.13 0.00 0.00 57.88 58.00 2jnj h LEU 26 Cb 0.57 -0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.57 2jnj h LEU 26 CO 0.03 0.76 0.23 -0.78 -0.13 0.00 0.00 178.44 178.55 2jnj h ASP 27 N 0.28 0.57 0.60 1.25 3.58 -1.10 0.46 116.42 122.06 2jnj h ASP 27 Ca 0.02 -0.11 -0.22 0.00 0.42 0.00 0.00 57.03 57.14 2jnj h ASP 27 Cb 0.89 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.78 2jnj h ASP 27 CO 0.07 0.51 -0.98 1.05 -2.88 0.00 0.00 179.24 177.02 2jnj h GLU 28 N 0.58 0.22 -0.23 0.28 4.11 -1.33 -3.33 114.58 114.88 2jnj h GLU 28 Ca 0.15 -0.28 -0.17 0.00 0.07 0.00 0.00 59.36 59.13 2jnj h GLU 28 Cb 0.08 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2jnj h GLU 28 CO -0.02 1.04 -0.52 1.03 0.07 0.00 0.00 179.01 180.61 2jnj h SER 29 N 0.11 0.86 -5.98 3.06 0.87 -0.39 -3.48 113.55 108.60 2jnj h SER 29 Ca -0.07 -0.55 -0.40 0.00 -1.23 0.00 0.00 61.79 59.54 2jnj h SER 29 Cb 1.65 -0.25 0.08 0.00 -0.44 0.00 0.00 62.40 63.44 2jnj h SER 29 CO 0.15 1.26 -0.81 0.59 -0.53 0.00 0.00 176.83 177.49 2jnj n ASN 30 N -4.09 -1.48 0.28 6.23 5.03 0.16 -4.87 115.26 116.52 2jnj n ASN 30 Ca -0.05 -0.77 0.15 0.00 0.87 0.00 0.00 54.58 54.78 2jnj n ASN 30 Cb 0.61 -4.33 0.84 0.00 -1.02 0.00 0.00 39.78 35.88 2jnj n ASN 30 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2jnj h ALA 31 N 0.88 1.27 -0.13 5.41 0.00 -1.88 0.37 119.26 125.17 2jnj h ALA 31 Ca -0.60 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2jnj h ALA 31 Cb 1.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2jnj h ALA 31 CO 0.55 0.08 0.00 1.28 0.00 0.00 0.00 179.25 181.16 2jnj n LEU 32 N -3.56 2.28 0.00 0.00 4.77 -1.26 -4.93 117.00 114.29 2jnj n LEU 32 Ca -0.02 -0.86 0.00 0.00 -0.03 0.00 0.00 56.01 55.10 2jnj n LEU 32 Cb 0.18 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2jnj n LEU 32 CO 0.28 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 2jnj n GLY 33 N 1.27 0.35 3.22 -0.72 0.00 0.12 -4.92 105.19 104.50 2jnj n GLY 33 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.75 1.12 0.72 1.61 -2.85 -1.26 -5.08 119.74 113.24 2jnj s LYS 34 Ca 0.00 -1.50 -0.04 0.00 -1.00 0.00 0.00 55.97 53.43 2jnj s LYS 34 Cb 0.00 0.28 0.10 0.00 -2.06 0.00 0.00 37.83 36.16 2jnj s LYS 34 CO 0.00 -0.36 1.01 0.15 0.10 0.00 0.00 175.35 176.25 2jnj s LYS 35 N -4.09 1.81 0.17 1.78 -0.14 -1.26 -4.78 119.74 113.23 2jnj s LYS 35 Ca 0.31 -0.72 0.00 0.00 -1.36 0.00 0.00 55.97 54.20 2jnj s LYS 35 Cb 0.06 -2.24 0.00 0.00 -1.68 0.00 0.00 37.83 33.97 2jnj s LYS 35 CO 0.07 -1.41 0.00 1.97 -0.76 0.00 0.00 175.35 175.22 2jnj n PHE 36 N -2.91 -2.57 -2.70 3.18 -1.74 -1.26 -5.06 117.46 104.40 2jnj n PHE 36 Ca 0.12 0.50 -0.43 0.00 -0.56 0.00 0.00 57.45 57.08 2jnj n PHE 36 Cb 0.60 1.45 -0.03 0.00 1.52 0.00 0.00 39.48 43.03 2jnj n PHE 36 CO 0.00 0.00 0.00 -1.50 -0.56 0.00 0.00 176.76 174.70 2jnj s ILE 37 N -2.00 4.51 -0.12 1.97 -1.16 -1.26 -3.82 121.20 119.33 2jnj s ILE 37 Ca 0.00 1.49 -0.17 0.00 -0.51 0.00 0.00 60.65 61.46 2jnj s ILE 37 Cb 0.00 -4.40 -0.15 0.00 0.61 0.00 0.00 42.46 38.51 2jnj s ILE 37 CO 0.00 -0.55 0.48 0.40 -2.81 0.00 0.00 174.94 172.46 2jnj h ILE 38 N 5.81 1.05 -3.56 2.00 2.04 -1.19 -3.48 117.51 120.18 2jnj h ILE 38 Ca -0.22 -1.76 -0.10 0.00 1.00 0.00 0.00 64.86 63.79 2jnj h ILE 38 Cb 1.07 1.97 -0.16 0.00 -0.74 0.00 0.00 36.82 38.96 2jnj h ILE 38 CO 1.02 0.35 -0.35 0.00 0.00 0.00 0.00 178.15 179.17 2jnj s GLN 39 N -2.04 0.76 0.03 2.37 -2.07 -1.26 -5.04 119.66 112.42 2jnj s GLN 39 Ca -0.11 -0.68 -0.12 0.00 -1.82 0.00 0.00 55.36 52.62 2jnj s GLN 39 Cb -0.02 0.32 -0.06 0.00 -1.09 0.00 0.00 33.01 32.16 2jnj s GLN 39 CO 0.41 -0.23 0.40 0.16 -1.32 0.00 0.00 175.29 174.71 2jnj s ASP 40 N -2.27 6.73 -0.13 12.60 -4.77 -1.26 -1.93 116.67 125.64 2jnj s ASP 40 Ca -0.03 0.88 0.01 0.00 -3.30 0.00 0.00 52.55 50.11 2jnj s ASP 40 Cb 0.00 -2.22 0.02 0.00 -1.09 0.00 0.00 42.92 39.64 2jnj s ASP 40 CO -0.06 0.26 -0.13 0.27 0.70 0.00 0.00 175.17 176.22 2jnj s ILE 41 N -1.22 1.41 -1.52 2.11 -4.36 0.39 -4.73 121.20 113.28 2jnj s ILE 41 Ca 0.28 -0.55 -0.05 0.00 -0.26 0.00 0.00 60.65 60.06 2jnj s ILE 41 Cb -0.15 -1.33 0.05 0.00 1.25 0.00 0.00 42.46 42.27 2jnj s ILE 41 CO 0.15 0.43 0.42 -0.90 0.24 0.00 0.00 174.94 175.28 2jnj n ASP 42 N 4.60 -0.77 0.00 4.36 5.75 -1.26 0.30 116.55 129.53 2jnj n ASP 42 Ca -0.17 -1.07 0.00 0.00 -0.01 0.00 0.00 54.79 53.54 2jnj n ASP 42 Cb 0.50 -2.62 0.00 0.00 -1.03 0.00 0.00 41.12 37.97 2jnj n ASP 42 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2jnj n ASP 43 N -2.87 0.00 -0.01 -1.12 9.92 -1.26 -4.19 116.55 117.02 2jnj n ASP 43 Ca -0.21 0.00 0.07 0.00 -0.53 0.00 0.00 54.79 54.12 2jnj n ASP 43 Cb 0.64 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 41.01 2jnj n ASP 43 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2jnj n THR 44 N 0.00 0.00 -3.29 -3.53 -1.04 -1.19 -4.98 114.28 100.25 2jnj n THR 44 Ca 0.00 -0.32 -0.33 0.00 -2.04 0.00 0.00 64.05 61.36 2jnj n THR 44 Cb 0.00 0.18 -0.06 0.00 -1.82 0.00 0.00 70.33 68.63 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 -2.97 3.48 -0.05 -1.42 3.76 0.15 -4.34 115.29 113.90 2jnj s HIS 45 Ca -0.05 1.07 0.04 0.00 -0.15 0.00 0.00 55.06 55.97 2jnj s HIS 45 Cb 0.09 -2.40 -0.00 0.00 1.11 0.00 0.00 32.58 31.38 2jnj s HIS 45 CO 0.58 0.27 -0.18 0.08 -0.85 0.00 0.00 174.74 174.64 2jnj s VAL 46 N -1.74 1.51 -0.23 -0.90 1.01 0.19 -0.46 120.40 119.77 2jnj s VAL 46 Ca 0.46 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.64 2jnj s VAL 46 Cb -0.12 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 2jnj s VAL 46 CO 0.20 0.43 0.04 0.12 0.00 0.00 0.00 175.10 175.89 2jnj s PHE 47 N 0.15 3.07 -0.04 5.22 5.36 -0.81 -0.34 117.98 130.58 2jnj s PHE 47 Ca -0.07 -0.44 -0.02 0.00 -0.96 0.00 0.00 56.93 55.44 2jnj s PHE 47 Cb -0.13 -2.18 0.02 0.00 -0.34 0.00 0.00 43.02 40.40 2jnj s PHE 47 CO 0.03 -0.31 0.09 0.54 -1.46 0.00 0.00 175.22 174.12 2jnj s VAL 48 N 1.36 -0.03 0.29 3.12 0.11 -0.35 -0.49 120.40 124.40 2jnj s VAL 48 Ca 0.05 0.11 -0.29 0.00 -2.93 0.00 0.00 61.98 58.92 2jnj s VAL 48 Cb -0.15 -0.16 -0.10 0.00 -1.53 0.00 0.00 36.38 34.45 2jnj s VAL 48 CO 0.02 0.04 1.10 -0.51 -3.33 0.00 0.00 175.10 172.43 2jnj s ILE 49 N 0.66 3.48 0.28 7.04 2.07 -1.25 0.13 121.20 133.62 2jnj s ILE 49 Ca -0.05 1.48 -0.00 0.00 -1.41 0.00 0.00 60.65 60.66 2jnj s ILE 49 Cb -0.07 -3.93 0.14 0.00 0.13 0.00 0.00 42.46 38.72 2jnj s ILE 49 CO -0.03 0.34 1.81 0.00 -1.91 0.00 0.00 174.94 175.15 2jnj h ALA 50 N 3.75 1.20 0.00 1.50 0.00 -1.89 -3.11 119.26 120.71 2jnj h ALA 50 Ca -0.47 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.21 2jnj h ALA 50 Cb 1.21 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2jnj h ALA 50 CO 0.67 0.53 -0.00 0.93 0.00 0.00 0.00 179.25 181.38 2jnj h GLU 51 N 0.70 0.00 -0.16 0.00 4.39 -2.00 -1.12 114.58 116.39 2jnj h GLU 51 Ca 0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 2jnj h GLU 51 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2jnj h GLU 51 CO 0.01 0.00 0.00 1.47 -1.16 0.00 0.00 179.01 179.33 2jnj n LEU 52 N -3.10 2.63 0.18 1.33 -0.00 -1.17 -4.58 117.00 112.29 2jnj n LEU 52 Ca -0.03 -2.26 0.03 0.00 -0.00 0.00 0.00 56.01 53.75 2jnj n LEU 52 Cb 0.08 -0.21 0.34 0.00 -0.00 0.00 0.00 43.42 43.63 2jnj n LEU 52 CO 0.20 0.63 0.68 1.62 -0.00 0.00 0.00 177.39 180.53 2jnj h VAL 53 N 0.99 1.14 -0.81 1.47 3.04 -1.29 -3.11 116.25 117.68 2jnj h VAL 53 Ca 0.00 -1.47 0.21 0.00 -1.01 0.00 0.00 66.70 64.43 2jnj h VAL 53 Cb 0.77 1.83 -0.04 0.00 -2.01 0.00 0.00 31.29 31.83 2jnj h VAL 53 CO 0.03 0.40 0.57 -1.13 -1.01 0.00 0.00 177.57 176.42 2jnj h ASN 54 N 0.00 0.16 0.25 3.17 -1.24 -1.81 0.33 115.58 116.45 2jnj h ASN 54 Ca -0.00 0.02 -0.17 0.00 0.71 0.00 0.00 56.30 56.85 2jnj h ASN 54 Cb 0.79 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.82 2jnj h ASN 54 CO 0.05 0.07 -0.65 -0.37 -1.29 0.00 0.00 177.43 175.24 2jnj h VAL 55 N 0.17 1.37 -0.38 2.57 -1.51 -1.90 -2.04 116.25 114.53 2jnj h VAL 55 Ca 0.40 -2.03 -0.11 0.00 -1.23 0.00 0.00 66.70 63.74 2jnj h VAL 55 Cb 1.33 2.01 -0.01 0.00 -2.13 0.00 0.00 31.29 32.48 2jnj h VAL 55 CO -0.07 0.61 -0.21 -0.07 -1.23 0.00 0.00 177.57 176.60 2jnj h LEU 56 N 0.27 0.75 -0.80 4.19 -0.00 -0.63 -1.05 115.31 118.05 2jnj h LEU 56 Ca -0.01 -0.26 -0.03 0.00 -0.00 0.00 0.00 57.88 57.58 2jnj h LEU 56 Cb 1.20 -0.21 -0.04 0.00 -0.00 0.00 0.00 40.66 41.62 2jnj h LEU 56 CO 0.11 0.95 0.39 1.56 -0.00 0.00 0.00 178.44 181.45 2jnj h GLN 57 N 0.65 1.14 -0.28 1.13 1.08 -0.44 0.21 115.11 118.60 2jnj h GLN 57 Ca 0.09 -0.17 -0.13 0.00 -1.45 0.00 0.00 58.65 57.00 2jnj h GLN 57 Cb 0.71 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 2jnj h GLN 57 CO 0.05 0.88 -0.36 0.93 -0.95 0.00 0.00 178.83 179.39 2jnj h GLU 58 N 1.13 0.64 -0.16 1.46 5.08 -1.04 0.22 114.58 121.91 2jnj h GLU 58 Ca 0.27 -0.31 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 2jnj h GLU 58 Cb 0.11 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2jnj h GLU 58 CO -0.04 0.90 -0.16 0.00 -1.00 0.00 0.00 179.01 178.72 2jnj h ARG 59 N 0.53 0.38 -0.14 2.33 3.08 -0.45 0.00 114.38 120.12 2jnj h ARG 59 Ca 0.05 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 59.82 2jnj h ARG 59 Cb 0.87 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.93 2jnj h ARG 59 CO 0.07 0.76 -0.22 0.28 -1.07 0.00 0.00 179.97 179.80 2jnj h VAL 60 N 0.02 1.36 0.10 2.04 2.07 -0.56 -2.81 116.25 118.47 2jnj h VAL 60 Ca 0.02 -1.45 -0.20 0.00 0.82 0.00 0.00 66.70 65.89 2jnj h VAL 60 Cb 0.69 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 2jnj h VAL 60 CO 0.04 0.43 -0.99 1.23 0.02 0.00 0.00 177.57 178.29 2jnj h GLY 61 N 0.00 0.25 0.47 2.17 0.00 -1.04 -3.41 103.07 101.52 2jnj h GLY 61 Ca 0.01 -0.64 -0.12 0.00 0.00 0.00 0.00 47.33 46.59 2jnj h GLY 61 CO 0.05 0.56 -0.50 0.83 0.00 0.00 0.00 176.54 177.48 2jnj h GLU 62 N -0.47 0.21 -0.11 4.80 4.39 -1.10 -3.37 114.58 118.93 2jnj h GLU 62 Ca -0.21 -0.32 -0.00 0.00 0.34 0.00 0.00 59.36 59.17 2jnj h GLU 62 Cb 1.59 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 30.35 2jnj h GLU 62 CO 0.07 1.12 0.05 -0.07 -1.16 0.00 0.00 179.01 179.03 2jnj h LEU 63 N -0.55 0.12 -1.47 1.33 3.38 -1.39 0.22 115.31 116.97 2jnj h LEU 63 Ca -0.08 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2jnj h LEU 63 Cb 1.36 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 2jnj h LEU 63 CO 0.09 0.11 -0.23 0.00 0.09 0.00 0.00 178.44 178.50 2jnj h MET 64 N 0.14 0.06 0.03 1.13 -0.00 -1.76 -3.19 114.93 111.34 2jnj h MET 64 Ca 0.04 -0.02 -0.31 0.00 -0.00 0.00 0.00 59.70 59.42 2jnj h MET 64 Cb 0.01 -0.01 -0.04 0.00 -0.00 0.00 0.00 31.60 31.57 2jnj h MET 64 CO -0.01 0.29 -1.69 -3.47 -0.00 0.00 0.00 176.91 172.04 2jnj n ASP 65 N -4.25 1.94 0.00 -0.10 2.03 0.55 -5.07 116.55 111.65 2jnj n ASP 65 Ca -0.02 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.63 2jnj n ASP 65 Cb 0.30 -0.90 0.00 0.00 -0.72 0.00 0.00 41.12 39.80 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 -4.15 0.00 -3.94 -0.67 -0.00 0.10 -5.14 117.38 103.58 2jnj n GLN 66 Ca -0.36 0.00 -0.31 0.00 -0.00 0.00 0.00 57.00 56.33 2jnj n GLN 66 Cb 0.81 0.00 -0.15 0.00 -0.00 0.00 0.00 30.24 30.90 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 4.15 -0.99 2.61 2.47 -1.26 -3.64 114.94 118.28 2jnj s ASN 67 Ca 0.00 -1.50 -0.15 0.00 0.42 0.00 0.00 52.86 51.63 2jnj s ASN 67 Cb 0.00 -1.27 0.19 0.00 -1.45 0.00 0.00 41.25 38.72 2jnj s ASN 67 CO 0.00 -0.29 1.10 0.00 -3.72 0.00 0.00 177.10 174.18 2jnj s ALA 68 N 1.28 3.93 -0.20 1.71 0.00 -1.26 -4.73 121.76 122.50 2jnj s ALA 68 Ca 0.00 -3.23 0.16 0.00 0.00 0.00 0.00 51.96 48.89 2jnj s ALA 68 Cb -0.19 -3.84 -0.23 0.00 0.00 0.00 0.00 23.12 18.86 2jnj s ALA 68 CO -0.09 -2.61 0.05 1.97 0.00 0.00 0.00 175.76 175.07 2jnj n PHE 69 N 5.00 0.00 -3.26 0.00 -1.74 -1.26 -4.78 117.46 111.42 2jnj n PHE 69 Ca 0.24 0.00 -0.46 0.00 -0.56 0.00 0.00 57.45 56.67 2jnj n PHE 69 Cb 0.45 -0.96 -0.04 0.00 1.52 0.00 0.00 39.48 40.46 2jnj n PHE 69 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2jnj s SER 70 N -5.45 6.36 0.00 5.98 0.15 -1.26 -4.61 113.70 114.86 2jnj s SER 70 Ca -0.11 -1.98 0.00 0.00 0.70 0.00 0.00 55.95 54.56 2jnj s SER 70 Cb 0.06 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 62.14 2jnj s SER 70 CO 0.78 -0.84 0.83 0.00 1.20 0.00 0.00 173.24 175.21 2jnj n LEU 71 N 5.16 0.00 0.13 3.45 -0.00 -1.26 -4.86 117.00 119.61 2jnj n LEU 71 Ca -0.04 -0.78 -0.00 0.00 -0.00 0.00 0.00 56.01 55.19 2jnj n LEU 71 Cb 0.43 0.00 0.27 0.00 -0.00 0.00 0.00 43.42 44.12 2jnj n LEU 71 CO 0.49 0.27 0.66 0.74 -0.00 0.00 0.00 177.39 179.55 2jnj h THR 72 N 5.90 1.31 -0.12 1.47 2.02 -2.00 -2.32 112.91 119.17 2jnj h THR 72 Ca 0.00 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 65.70 2jnj h THR 72 Cb 1.27 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.41 2jnj h THR 72 CO 0.00 0.43 0.00 1.67 0.37 0.00 0.00 175.52 177.99 2jnj n GLN 73 N -4.03 1.64 0.00 6.66 -0.06 -1.26 -5.32 117.38 115.01 2jnj n GLN 73 Ca -0.02 -1.68 0.00 0.00 -2.00 0.00 0.00 57.00 53.31 2jnj n GLN 73 Cb 0.46 -1.35 0.00 0.00 -4.06 0.00 0.00 30.24 25.30 2jnj n GLN 73 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49