#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 6.74 0.01 1.61 0.15 -1.26 -4.99 113.70 115.96 2jnj s SER 2 Ca 0.00 0.91 -0.29 0.00 0.70 0.00 0.00 55.95 57.27 2jnj s SER 2 Cb 0.00 -2.38 0.10 0.00 -1.71 0.00 0.00 66.02 62.03 2jnj s SER 2 CO 0.00 -0.34 1.05 -1.38 1.20 0.00 0.00 173.24 173.77 2jnj s HIS 3 N 2.13 -0.18 -0.12 3.44 0.00 -1.26 -5.16 115.29 114.14 2jnj s HIS 3 Ca 0.31 0.01 -0.03 0.00 -3.00 0.00 0.00 55.06 52.35 2jnj s HIS 3 Cb -0.16 0.57 -0.03 0.00 -4.00 0.00 0.00 32.58 28.96 2jnj s HIS 3 CO 0.10 -0.52 0.00 -1.64 -1.00 0.00 0.00 174.74 171.69 2jnj s MET 4 N -2.91 3.35 -0.32 -0.38 1.00 -1.26 -5.04 119.30 113.75 2jnj s MET 4 Ca 0.10 -0.42 -0.02 0.00 0.00 0.00 0.00 55.69 55.35 2jnj s MET 4 Cb 0.00 -2.91 0.12 0.00 0.00 0.00 0.00 34.83 32.04 2jnj s MET 4 CO -0.04 0.51 0.17 0.08 0.00 0.00 0.00 175.02 175.74 2jnj s VAL 5 N -0.34 0.00 -0.41 -6.03 1.01 -1.26 -5.09 120.40 108.29 2jnj s VAL 5 Ca 0.07 -1.14 -0.06 0.00 0.00 0.00 0.00 61.98 60.85 2jnj s VAL 5 Cb -0.12 -1.03 0.09 0.00 0.00 0.00 0.00 36.38 35.32 2jnj s VAL 5 CO 0.02 -0.83 0.22 0.20 0.00 0.00 0.00 175.10 174.71 2jnj s ASN 6 N 1.68 5.41 -0.15 3.32 0.02 -1.26 -5.05 114.94 118.91 2jnj s ASN 6 Ca 0.13 -1.75 -0.03 0.00 -1.02 0.00 0.00 52.86 50.19 2jnj s ASN 6 Cb -0.19 -1.89 -0.02 0.00 0.02 0.00 0.00 41.25 39.16 2jnj s ASN 6 CO -0.21 -0.53 -0.06 -0.69 0.02 0.00 0.00 177.10 175.62 2jnj s VAL 7 N 1.28 3.66 0.06 1.60 1.01 -1.26 -5.09 120.40 121.66 2jnj s VAL 7 Ca 0.05 -0.44 -0.10 0.00 0.00 0.00 0.00 61.98 61.48 2jnj s VAL 7 Cb -0.23 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 33.57 2jnj s VAL 7 CO -0.01 0.51 0.21 -0.22 0.00 0.00 0.00 175.10 175.59 2jnj s LEU 8 N 0.32 1.29 -0.10 3.92 2.96 -1.26 -5.15 118.68 120.65 2jnj s LEU 8 Ca -0.06 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 53.46 2jnj s LEU 8 Cb -0.15 1.07 -0.00 0.00 0.50 0.00 0.00 46.19 47.61 2jnj s LEU 8 CO 0.04 -0.63 -0.23 -0.75 -1.32 0.00 0.00 176.35 173.46 2jnj s LYS 9 N -3.02 2.99 0.00 1.98 2.36 -1.26 -5.02 119.74 117.77 2jnj s LYS 9 Ca -0.02 -0.86 0.00 0.00 -2.55 0.00 0.00 55.97 52.55 2jnj s LYS 9 Cb 0.01 -2.32 0.00 0.00 -1.05 0.00 0.00 37.83 34.47 2jnj s LYS 9 CO -0.06 0.23 0.00 0.41 1.55 0.00 0.00 175.35 177.48 2jnj n GLY 10 N 3.39 -0.18 3.29 5.54 0.00 -1.26 -4.80 105.19 111.18 2jnj n GLY 10 Ca -0.19 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.01 2.26 -0.18 1.61 1.01 0.85 -4.71 120.40 120.24 2jnj s VAL 11 Ca 0.00 -0.98 -0.13 0.00 0.00 0.00 0.00 61.98 60.86 2jnj s VAL 11 Cb 0.00 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.49 2jnj s VAL 11 CO 0.00 0.57 0.27 -0.22 0.00 0.00 0.00 175.10 175.72 2jnj s LEU 12 N -0.10 4.21 -0.03 3.92 2.96 -1.26 -1.26 118.68 127.12 2jnj s LEU 12 Ca -0.05 0.42 0.05 0.00 -0.22 0.00 0.00 54.13 54.33 2jnj s LEU 12 Cb -0.14 -2.33 -0.02 0.00 0.50 0.00 0.00 46.19 44.20 2jnj s LEU 12 CO 0.04 0.08 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.35 2jnj s ILE 13 N 0.66 2.79 -0.09 6.68 -1.09 0.66 -5.00 121.20 125.80 2jnj s ILE 13 Ca 0.15 -0.86 -0.01 0.00 -2.23 0.00 0.00 60.65 57.70 2jnj s ILE 13 Cb -0.13 -2.07 0.03 0.00 -1.58 0.00 0.00 42.46 38.71 2jnj s ILE 13 CO 0.04 0.57 -0.03 -0.70 -1.23 0.00 0.00 174.94 173.59 2jnj s GLU 14 N -0.76 0.97 0.00 2.79 2.12 -1.26 -2.01 118.70 120.55 2jnj s GLU 14 Ca 0.11 -0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.38 2jnj s GLU 14 Cb -0.10 -1.27 0.00 0.00 0.26 0.00 0.00 34.13 33.01 2jnj s GLU 14 CO 0.01 -0.31 0.00 0.00 -0.54 0.00 0.00 175.26 174.42 2jnj s ASP 16 N -0.42 5.75 0.10 0.00 1.01 -1.26 -4.85 116.67 117.00 2jnj s ASP 16 Ca 0.00 2.50 0.06 0.00 0.71 0.00 0.00 52.55 55.82 2jnj s ASP 16 Cb 0.00 -2.62 0.33 0.00 1.01 0.00 0.00 42.92 41.65 2jnj s ASP 16 CO 0.00 -1.22 1.15 -2.65 0.21 0.00 0.00 175.17 172.66 2jnj n PRO 17 N -0.77 0.04 -0.24 8.23 -0.02 -1.26 -0.81 135.00 140.17 2jnj n PRO 17 Ca 0.09 0.51 0.18 0.00 -2.02 0.00 0.00 63.50 62.25 2jnj n PRO 17 Cb 0.47 -1.68 0.49 0.00 -0.02 0.00 0.00 33.50 32.76 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 1.84 2.13 -0.73 3.55 0.00 -1.92 -0.82 119.26 123.31 2jnj h ALA 18 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2jnj h ALA 18 Cb 0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2jnj h ALA 18 CO 0.00 -0.40 0.42 1.98 0.00 0.00 0.00 179.25 181.25 2jnj h MET 19 N 0.46 1.01 -0.66 0.00 1.85 -1.33 -2.86 114.93 113.39 2jnj h MET 19 Ca 0.46 -0.11 0.08 0.00 -0.61 0.00 0.00 59.70 59.52 2jnj h MET 19 Cb 1.06 -0.20 -0.06 0.00 0.43 0.00 0.00 31.60 32.83 2jnj h MET 19 CO -0.18 0.73 0.33 0.87 -0.40 0.00 0.00 176.91 178.26 2jnj h LYS 20 N 1.00 0.58 -0.10 0.39 1.79 -1.34 0.19 116.57 119.08 2jnj h LYS 20 Ca 0.26 -0.03 -0.15 0.00 -2.18 0.00 0.00 60.65 58.55 2jnj h LYS 20 Cb 0.00 -0.13 0.01 0.00 -1.58 0.00 0.00 32.23 30.53 2jnj h LYS 20 CO -0.04 0.38 -0.51 1.96 -1.08 0.00 0.00 179.45 180.16 2jnj h GLN 21 N 0.59 0.51 -0.26 3.15 1.08 -1.55 0.41 115.11 119.04 2jnj h GLN 21 Ca 0.31 -0.42 -0.09 0.00 -1.45 0.00 0.00 58.65 57.00 2jnj h GLN 21 Cb 0.28 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 2jnj h GLN 21 CO -0.23 1.05 -0.22 0.27 -0.95 0.00 0.00 178.83 178.76 2jnj h PHE 22 N 0.11 0.54 -0.17 2.96 -5.15 -1.21 -2.83 116.94 111.18 2jnj h PHE 22 Ca -0.04 -0.10 0.00 0.00 -0.20 0.00 0.00 57.97 57.63 2jnj h PHE 22 Cb 1.16 -0.14 -0.01 0.00 0.22 0.00 0.00 35.95 37.18 2jnj h PHE 22 CO 0.12 0.67 0.11 1.25 -2.00 0.00 0.00 178.31 178.46 2jnj h LEU 23 N 0.44 0.20 -1.11 2.10 6.46 -0.49 0.23 115.31 123.12 2jnj h LEU 23 Ca 0.07 -0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 57.73 2jnj h LEU 23 Cb 0.62 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.49 2jnj h LEU 23 CO 0.04 0.15 -0.34 0.17 -0.62 0.00 0.00 178.44 177.84 2jnj h LEU 24 N 0.23 0.18 -0.20 2.25 8.10 -0.82 0.28 115.31 125.34 2jnj h LEU 24 Ca 0.06 -0.06 -0.04 0.00 0.11 0.00 0.00 57.88 57.95 2jnj h LEU 24 Cb -0.02 -0.05 -0.01 0.00 -0.44 0.00 0.00 40.66 40.14 2jnj h LEU 24 CO -0.01 0.52 -0.03 0.22 -4.11 0.00 0.00 178.44 175.03 2jnj h TYR 25 N 0.16 0.41 -0.22 0.17 3.20 -1.25 -2.65 116.97 116.79 2jnj h TYR 25 Ca 0.02 -0.08 -0.08 0.00 3.14 0.00 0.00 58.73 61.73 2jnj h TYR 25 Cb 0.69 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 2jnj h TYR 25 CO 0.01 0.60 -0.21 1.25 -1.64 0.00 0.00 178.16 178.16 2jnj h LEU 26 N 0.10 0.39 -0.35 2.82 7.12 -0.13 0.07 115.31 125.33 2jnj h LEU 26 Ca 0.05 -0.12 0.00 0.00 0.13 0.00 0.00 57.88 57.95 2jnj h LEU 26 Cb 0.46 -0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 40.46 2jnj h LEU 26 CO 0.02 0.62 0.22 -0.78 -0.13 0.00 0.00 178.44 178.38 2jnj h ASP 27 N 0.36 0.41 0.28 1.25 3.58 -0.39 0.63 116.42 122.55 2jnj h ASP 27 Ca 0.06 -0.04 -0.24 0.00 0.42 0.00 0.00 57.03 57.23 2jnj h ASP 27 Cb 0.58 -0.10 0.01 0.00 1.72 0.00 0.00 39.33 41.54 2jnj h ASP 27 CO 0.04 0.32 -1.02 1.05 -2.88 0.00 0.00 179.24 176.76 2jnj h GLU 28 N 0.46 0.47 0.02 0.28 4.11 -1.10 -3.26 114.58 115.56 2jnj h GLU 28 Ca 0.13 -0.54 -0.22 0.00 0.07 0.00 0.00 59.36 58.80 2jnj h GLU 28 Cb -0.02 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 2jnj h GLU 28 CO -0.03 1.18 -0.95 0.66 0.07 0.00 0.00 179.01 179.95 2jnj h SER 29 N 0.25 0.40 -6.65 3.06 4.64 -0.91 -3.48 113.55 110.86 2jnj h SER 29 Ca -0.10 -0.33 -0.53 0.00 -0.47 0.00 0.00 61.79 60.35 2jnj h SER 29 Cb 1.67 -0.12 -0.10 0.00 -0.31 0.00 0.00 62.40 63.54 2jnj h SER 29 CO 0.18 1.15 -0.91 -0.46 -0.87 0.00 0.00 176.83 175.92 2jnj n ASN 30 N -3.68 0.05 0.05 4.97 6.94 0.22 -4.85 115.26 118.95 2jnj n ASN 30 Ca -0.06 -1.08 0.16 0.00 -0.02 0.00 0.00 54.58 53.59 2jnj n ASN 30 Cb 0.85 -2.66 0.65 0.00 -2.36 0.00 0.00 39.78 36.26 2jnj n ASN 30 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jnj h ALA 31 N 0.82 2.33 -0.02 -2.53 0.00 -1.80 0.18 119.26 118.24 2jnj h ALA 31 Ca -0.64 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2jnj h ALA 31 Cb 1.38 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2jnj h ALA 31 CO 0.65 -0.45 0.00 1.28 0.00 0.00 0.00 179.25 180.73 2jnj n LEU 32 N -4.43 0.67 0.00 0.00 4.77 -1.26 -4.85 117.00 111.91 2jnj n LEU 32 Ca 0.07 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 2jnj n LEU 32 Cb 0.46 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2jnj n LEU 32 CO 0.36 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2jnj n GLY 33 N 1.04 0.64 2.96 -0.72 0.00 0.64 -4.99 105.19 104.76 2jnj n GLY 33 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.02 0.27 -0.34 1.61 -0.14 -1.25 -5.10 119.74 114.77 2jnj s LYS 34 Ca 0.00 -0.48 0.01 0.00 -1.36 0.00 0.00 55.97 54.14 2jnj s LYS 34 Cb 0.00 0.03 0.09 0.00 -1.68 0.00 0.00 37.83 36.27 2jnj s LYS 34 CO 0.00 -0.03 0.05 -1.59 -0.76 0.00 0.00 175.35 173.03 2jnj s LYS 35 N -1.13 1.93 0.03 1.68 -2.85 -1.26 -4.55 119.74 113.59 2jnj s LYS 35 Ca -0.12 -1.65 -0.18 0.00 -1.00 0.00 0.00 55.97 53.02 2jnj s LYS 35 Cb -0.08 -3.25 -0.24 0.00 -2.06 0.00 0.00 37.83 32.21 2jnj s LYS 35 CO -0.01 -0.85 1.12 0.27 0.10 0.00 0.00 175.35 175.99 2jnj h PHE 36 N 7.83 0.79 -3.26 1.78 -0.00 -1.90 -3.45 116.94 118.72 2jnj h PHE 36 Ca -0.12 -0.44 -0.56 0.00 -0.00 0.00 0.00 57.97 56.85 2jnj h PHE 36 Cb 1.04 -0.09 -0.04 0.00 -0.00 0.00 0.00 35.95 36.86 2jnj h PHE 36 CO 0.55 1.27 0.55 -1.50 -0.00 0.00 0.00 178.31 179.18 2jnj s ILE 37 N -3.21 4.79 -0.17 0.88 -1.16 -1.26 -3.95 121.20 117.12 2jnj s ILE 37 Ca -0.12 2.00 -0.15 0.00 -0.51 0.00 0.00 60.65 61.87 2jnj s ILE 37 Cb 0.05 -4.30 -0.11 0.00 0.61 0.00 0.00 42.46 38.71 2jnj s ILE 37 CO 0.86 0.00 0.02 0.40 -2.81 0.00 0.00 174.94 173.41 2jnj h ILE 38 N 5.11 0.44 -3.55 2.00 2.04 -1.07 -3.49 117.51 119.00 2jnj h ILE 38 Ca -0.30 -1.56 -0.18 0.00 1.00 0.00 0.00 64.86 63.81 2jnj h ILE 38 Cb 1.14 1.06 -0.24 0.00 -0.74 0.00 0.00 36.82 38.04 2jnj h ILE 38 CO 0.86 0.15 -0.57 0.00 0.00 0.00 0.00 178.15 178.58 2jnj s GLN 39 N -2.28 0.26 0.02 2.37 -2.07 -1.23 -5.02 119.66 111.70 2jnj s GLN 39 Ca -0.21 -0.11 -0.21 0.00 -1.82 0.00 0.00 55.36 53.00 2jnj s GLN 39 Cb 0.04 0.11 -0.06 0.00 -1.09 0.00 0.00 33.01 32.01 2jnj s GLN 39 CO 0.39 -0.05 0.63 0.16 -1.32 0.00 0.00 175.29 175.11 2jnj s ASP 40 N -0.57 7.05 -0.51 12.60 1.47 -1.26 -0.88 116.67 134.56 2jnj s ASP 40 Ca -0.07 1.25 0.01 0.00 1.18 0.00 0.00 52.55 54.92 2jnj s ASP 40 Cb -0.04 -2.39 0.13 0.00 -0.34 0.00 0.00 42.92 40.28 2jnj s ASP 40 CO 0.00 0.11 0.28 0.27 0.68 0.00 0.00 175.17 176.51 2jnj s ILE 41 N -0.29 3.03 -0.66 2.11 -4.36 0.58 -4.85 121.20 116.77 2jnj s ILE 41 Ca 0.33 -2.88 -0.11 0.00 -0.26 0.00 0.00 60.65 57.72 2jnj s ILE 41 Cb -0.19 -3.06 0.02 0.00 1.25 0.00 0.00 42.46 40.48 2jnj s ILE 41 CO 0.19 -0.78 0.64 0.47 0.24 0.00 0.00 174.94 175.70 2jnj n ASP 42 N 3.61 -6.35 0.00 4.36 8.00 -1.26 -0.69 116.55 124.21 2jnj n ASP 42 Ca 0.05 -0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.26 2jnj n ASP 42 Cb 0.37 -3.33 0.00 0.00 -0.02 0.00 0.00 41.12 38.14 2jnj n ASP 42 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2jnj n ASP 43 N -1.48 0.00 -0.02 -2.24 2.03 -1.26 -3.78 116.55 109.81 2jnj n ASP 43 Ca -0.11 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.19 2jnj n ASP 43 Cb 0.60 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.96 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 0.26 -3.53 5.18 -1.04 -1.25 -4.71 114.28 109.19 2jnj n THR 44 Ca 0.00 -0.19 -0.27 0.00 -2.04 0.00 0.00 64.05 61.56 2jnj n THR 44 Cb 0.00 -0.62 -0.03 0.00 -1.82 0.00 0.00 70.33 67.87 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 -2.17 3.48 0.01 -1.42 3.76 0.13 -4.07 115.29 115.01 2jnj s HIS 45 Ca -0.02 0.42 0.01 0.00 -0.15 0.00 0.00 55.06 55.31 2jnj s HIS 45 Cb 0.02 -1.93 -0.01 0.00 1.11 0.00 0.00 32.58 31.78 2jnj s HIS 45 CO 0.20 0.26 -0.02 0.08 -0.85 0.00 0.00 174.74 174.41 2jnj s VAL 46 N -2.04 0.15 -0.09 -0.90 1.01 -0.85 -0.30 120.40 117.38 2jnj s VAL 46 Ca 0.40 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.11 2jnj s VAL 46 Cb -0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 2jnj s VAL 46 CO 0.31 -0.09 -0.16 0.12 0.00 0.00 0.00 175.10 175.28 2jnj s PHE 47 N -0.39 2.70 -0.03 5.22 2.19 -0.06 -0.25 117.98 127.37 2jnj s PHE 47 Ca -0.03 -0.52 -0.07 0.00 0.33 0.00 0.00 56.93 56.64 2jnj s PHE 47 Cb -0.03 -1.73 0.01 0.00 -1.31 0.00 0.00 43.02 39.96 2jnj s PHE 47 CO -0.00 -0.09 0.16 0.54 1.83 0.00 0.00 175.22 177.66 2jnj s VAL 48 N -0.09 0.05 0.33 3.12 0.11 -0.39 -0.43 120.40 123.10 2jnj s VAL 48 Ca -0.03 -0.40 -0.29 0.00 -2.93 0.00 0.00 61.98 58.33 2jnj s VAL 48 Cb -0.14 -0.37 -0.11 0.00 -1.53 0.00 0.00 36.38 34.23 2jnj s VAL 48 CO 0.04 -0.22 1.43 -0.63 -3.33 0.00 0.00 175.10 172.39 2jnj s ILE 49 N -0.78 2.39 0.12 7.04 -1.09 -1.25 -0.10 121.20 127.53 2jnj s ILE 49 Ca -0.09 0.37 -0.20 0.00 -2.23 0.00 0.00 60.65 58.50 2jnj s ILE 49 Cb -0.05 -3.24 -0.06 0.00 -1.58 0.00 0.00 42.46 37.53 2jnj s ILE 49 CO 0.01 0.08 1.73 0.00 -1.23 0.00 0.00 174.94 175.54 2jnj h ALA 50 N 3.72 0.16 0.00 9.38 0.00 -1.89 -1.24 119.26 129.40 2jnj h ALA 50 Ca -0.49 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2jnj h ALA 50 Cb 1.23 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 2jnj h ALA 50 CO 0.69 -0.42 -0.03 0.93 0.00 0.00 0.00 179.25 180.42 2jnj h GLU 51 N 0.09 0.00 -0.00 0.00 5.08 -1.99 -2.59 114.58 115.17 2jnj h GLU 51 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2jnj h GLU 51 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2jnj h GLU 51 CO -0.11 0.03 -0.34 1.47 -1.00 0.00 0.00 179.01 179.07 2jnj n LEU 52 N -3.23 0.64 0.18 1.33 -0.00 -1.09 -4.40 117.00 110.43 2jnj n LEU 52 Ca -0.01 -0.58 0.03 0.00 -0.00 0.00 0.00 56.01 55.45 2jnj n LEU 52 Cb 0.20 0.00 0.36 0.00 -0.00 0.00 0.00 43.42 43.98 2jnj n LEU 52 CO 0.25 0.14 0.70 1.62 -0.00 0.00 0.00 177.39 180.10 2jnj h VAL 53 N 0.31 1.16 -0.98 1.47 3.04 -0.82 -2.79 116.25 117.64 2jnj h VAL 53 Ca 0.00 -1.40 0.17 0.00 -1.01 0.00 0.00 66.70 64.46 2jnj h VAL 53 Cb 0.24 1.78 -0.09 0.00 -2.01 0.00 0.00 31.29 31.21 2jnj h VAL 53 CO 0.00 0.38 0.61 -1.13 -1.01 0.00 0.00 177.57 176.43 2jnj h ASN 54 N 0.00 0.74 0.26 3.17 -1.24 -1.75 0.31 115.58 117.06 2jnj h ASN 54 Ca -0.00 0.07 -0.15 0.00 0.71 0.00 0.00 56.30 56.93 2jnj h ASN 54 Cb 0.75 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.72 2jnj h ASN 54 CO 0.05 0.31 -0.60 -0.37 -1.29 0.00 0.00 177.43 175.53 2jnj h VAL 55 N 0.75 1.37 -0.38 2.57 -1.51 -1.77 -2.43 116.25 114.84 2jnj h VAL 55 Ca 0.53 -1.93 -0.08 0.00 -1.23 0.00 0.00 66.70 64.00 2jnj h VAL 55 Cb 0.85 1.94 -0.02 0.00 -2.13 0.00 0.00 31.29 31.93 2jnj h VAL 55 CO -0.31 0.58 -0.08 -0.07 -1.23 0.00 0.00 177.57 176.46 2jnj h LEU 56 N 0.25 0.63 -0.30 4.19 -0.00 -0.87 -0.93 115.31 118.29 2jnj h LEU 56 Ca -0.00 -0.16 -0.02 0.00 -0.00 0.00 0.00 57.88 57.69 2jnj h LEU 56 Cb 1.11 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 41.59 2jnj h LEU 56 CO 0.10 0.76 0.10 1.56 -0.00 0.00 0.00 178.44 180.95 2jnj h GLN 57 N 0.60 0.46 -0.12 1.13 1.08 -0.04 0.30 115.11 118.53 2jnj h GLN 57 Ca 0.11 -0.09 -0.14 0.00 -1.45 0.00 0.00 58.65 57.08 2jnj h GLN 57 Cb 0.50 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 2jnj h GLN 57 CO 0.03 0.50 -0.53 1.05 -0.95 0.00 0.00 178.83 178.93 2jnj h GLU 58 N 0.33 0.35 -0.17 1.46 4.11 -1.43 -1.64 114.58 117.58 2jnj h GLU 58 Ca 0.10 -0.21 -0.10 0.00 0.07 0.00 0.00 59.36 59.21 2jnj h GLU 58 Cb 0.23 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2jnj h GLU 58 CO -0.00 0.79 -0.30 -0.09 0.07 0.00 0.00 179.01 179.48 2jnj h ARG 59 N 0.27 0.51 -0.43 1.06 1.12 -0.87 -0.36 114.38 115.68 2jnj h ARG 59 Ca 0.01 -0.32 -0.05 0.00 -1.11 0.00 0.00 59.98 58.51 2jnj h ARG 59 Cb 1.02 0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 31.00 2jnj h ARG 59 CO 0.09 0.92 0.07 0.28 -3.11 0.00 0.00 179.97 178.21 2jnj h VAL 60 N 0.15 1.24 0.02 0.20 2.07 -0.33 -1.97 116.25 117.64 2jnj h VAL 60 Ca 0.01 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.60 2jnj h VAL 60 Cb 0.89 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 2jnj h VAL 60 CO 0.07 0.31 -0.15 1.23 0.02 0.00 0.00 177.57 179.05 2jnj h GLY 61 N 0.57 0.08 1.11 2.17 0.00 -1.35 -3.39 103.07 102.26 2jnj h GLY 61 Ca 0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 2jnj h GLY 61 CO 0.01 0.15 -0.96 0.83 0.00 0.00 0.00 176.54 176.57 2jnj h GLU 62 N -0.78 0.00 0.00 4.80 4.39 -1.13 -3.36 114.58 118.50 2jnj h GLU 62 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2jnj h GLU 62 Cb 1.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 2jnj h GLU 62 CO 0.03 0.06 0.00 1.25 -1.16 0.00 0.00 179.01 179.19 2jnj h LEU 63 N 0.00 0.00 -0.02 1.33 5.85 -1.45 0.10 115.31 121.12 2jnj h LEU 63 Ca -0.03 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2jnj h LEU 63 Cb 1.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.13 2jnj h LEU 63 CO 0.01 0.00 -0.04 0.24 -0.34 0.00 0.00 178.44 178.31 2jnj h MET 64 N 0.00 0.06 0.16 1.25 2.86 -1.81 -3.34 114.93 114.11 2jnj h MET 64 Ca 0.00 -0.04 -0.27 0.00 -2.06 0.00 0.00 59.70 57.34 2jnj h MET 64 Cb 0.16 0.01 0.01 0.00 0.06 0.00 0.00 31.60 31.84 2jnj h MET 64 CO 0.00 0.63 -1.26 0.22 1.06 0.00 0.00 176.91 177.56 2jnj h ASP 65 N -0.51 0.52 0.00 1.22 3.58 -1.71 -3.49 116.42 116.03 2jnj h ASP 65 Ca -0.00 -0.91 0.00 0.00 0.42 0.00 0.00 57.03 56.54 2jnj h ASP 65 Cb 0.63 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.51 2jnj h ASP 65 CO 0.01 1.58 0.00 0.00 -2.88 0.00 0.00 179.24 177.95 2jnj n GLN 66 N -3.92 0.00 0.00 0.28 -0.00 0.30 -5.17 117.38 108.87 2jnj n GLN 66 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.80 2jnj n GLN 66 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 31.17 2jnj n GLN 66 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 2jnj n ASN 67 N 0.00 0.00 -4.60 2.61 5.15 -0.91 -3.86 115.26 113.66 2jnj n ASN 67 Ca 0.00 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.55 2jnj n ASN 67 Cb 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.23 2jnj n ASN 67 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jnj s ALA 68 N -2.00 3.19 0.22 5.20 0.00 -1.26 -4.50 121.76 122.61 2jnj s ALA 68 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.48 2jnj s ALA 68 Cb 0.00 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.27 2jnj s ALA 68 CO 0.00 -2.18 0.00 0.34 0.00 0.00 0.00 175.76 173.92 2jnj n PHE 69 N 7.69 -3.36 0.09 0.00 7.35 -1.26 -4.94 117.46 123.03 2jnj n PHE 69 Ca 0.11 0.73 -0.21 0.00 -0.76 0.00 0.00 57.45 57.33 2jnj n PHE 69 Cb 0.49 2.06 -0.12 0.00 0.35 0.00 0.00 39.48 42.26 2jnj n PHE 69 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 2jnj h SER 70 N 0.00 0.81 0.24 -2.13 0.02 -1.99 -3.08 113.55 107.43 2jnj h SER 70 Ca 0.00 -0.74 0.00 0.00 -0.84 0.00 0.00 61.79 60.21 2jnj h SER 70 Cb 0.00 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.28 2jnj h SER 70 CO 0.00 1.54 0.00 0.00 -1.14 0.00 0.00 176.83 177.23 2jnj n LEU 71 N -3.77 0.00 0.21 5.07 -0.00 -1.26 -1.03 117.00 116.22 2jnj n LEU 71 Ca -0.12 0.24 0.11 0.00 -0.00 0.00 0.00 56.01 56.24 2jnj n LEU 71 Cb 0.96 -0.24 0.17 0.00 -0.00 0.00 0.00 43.42 44.31 2jnj n LEU 71 CO 0.57 -0.12 0.78 0.74 -0.00 0.00 0.00 177.39 179.36 2jnj h THR 72 N 0.00 0.08 0.00 1.47 2.02 -1.90 -3.30 112.91 111.28 2jnj h THR 72 Ca 0.00 -1.10 -0.08 0.00 0.77 0.00 0.00 66.41 66.00 2jnj h THR 72 Cb 0.12 2.03 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 2jnj h THR 72 CO 0.00 0.04 -1.57 0.00 0.37 0.00 0.00 175.52 174.36 2jnj n GLN 73 N -3.11 1.25 0.00 6.66 10.64 -0.20 -5.10 117.38 127.52 2jnj n GLN 73 Ca 0.04 -0.06 0.11 0.00 -1.83 0.00 0.00 57.00 55.26 2jnj n GLN 73 Cb 0.54 -1.25 0.09 0.00 -0.86 0.00 0.00 30.24 28.76 2jnj n GLN 73 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59